#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dp0 n ARG 14 N 0.00 -1.54 0.33 5.56 1.74 -1.26 -4.75 116.66 116.75 1dp0 n ARG 14 Ca 0.00 0.19 0.21 0.00 -0.77 0.00 0.00 57.85 57.48 1dp0 n ARG 14 Cb 0.00 -3.76 1.14 0.00 -1.02 0.00 0.00 32.46 28.82 1dp0 n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 1dp0 h ASP 15 N -1.89 0.00 0.00 0.55 3.32 -1.95 -1.26 116.42 115.19 1dp0 h ASP 15 Ca -0.66 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.39 1dp0 h ASP 15 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1dp0 h ASP 15 CO 0.66 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.51 1dp0 n TRP 16 N -3.15 0.00 -2.42 4.55 2.14 -1.26 -3.24 117.44 114.07 1dp0 n TRP 16 Ca -0.03 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.39 1dp0 n TRP 16 Cb 0.11 0.00 0.03 0.00 -0.81 0.00 0.00 31.31 30.64 1dp0 n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 1dp0 n GLU 17 N -0.66 2.72 -3.24 -2.67 1.02 -0.48 -0.65 120.64 116.69 1dp0 n GLU 17 Ca 0.08 -3.90 -0.03 0.00 -0.02 0.00 0.00 57.16 53.28 1dp0 n GLU 17 Cb 0.03 -1.95 -0.04 0.00 -0.02 0.00 0.00 31.44 29.47 1dp0 n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1dp0 s ASN 18 N -3.62 -0.53 0.00 1.62 3.84 -1.20 -4.76 114.94 110.29 1dp0 s ASN 18 Ca 0.40 0.14 0.12 0.00 0.21 0.00 0.00 52.86 53.73 1dp0 s ASN 18 Cb 0.38 1.57 0.55 0.00 -0.55 0.00 0.00 41.25 43.20 1dp0 s ASN 18 CO -0.02 -0.31 1.36 -0.81 -2.79 0.00 0.00 177.10 174.54 1dp0 n PRO 19 N 5.39 0.06 0.04 0.43 -0.04 -1.26 -1.43 135.00 138.18 1dp0 n PRO 19 Ca 0.01 0.25 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 1dp0 n PRO 19 Cb 0.51 -1.50 0.53 0.00 -0.04 0.00 0.00 33.50 33.00 1dp0 n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1dp0 n GLY 20 N -0.24 -1.55 2.91 0.55 0.00 -1.26 -4.31 105.19 101.28 1dp0 n GLY 20 Ca 0.04 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 1dp0 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dp0 s VAL 21 N -3.04 1.63 -1.41 1.61 1.01 -0.51 -4.91 120.40 114.77 1dp0 s VAL 21 Ca 0.12 -1.74 0.15 0.00 0.00 0.00 0.00 61.98 60.51 1dp0 s VAL 21 Cb 0.16 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.44 1dp0 s VAL 21 CO 0.54 -0.49 0.82 0.35 0.00 0.00 0.00 175.10 176.33 1dp0 n THR 22 N 4.56 0.00 -3.55 3.92 -2.24 -1.26 -4.81 114.28 110.89 1dp0 n THR 22 Ca -0.02 -0.37 -0.07 0.00 -2.27 0.00 0.00 64.05 61.32 1dp0 n THR 22 Cb 0.43 1.19 -0.02 0.00 -2.10 0.00 0.00 70.33 69.82 1dp0 n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dp0 s GLN 23 N -1.68 0.55 -0.05 -0.78 1.03 -1.26 -1.34 119.66 116.13 1dp0 s GLN 23 Ca 0.13 -0.16 -0.02 0.00 0.04 0.00 0.00 55.36 55.35 1dp0 s GLN 23 Cb 0.12 0.26 0.04 0.00 0.03 0.00 0.00 33.01 33.45 1dp0 s GLN 23 CO 0.34 -0.23 0.10 -0.51 -2.54 0.00 0.00 175.29 172.45 1dp0 s LEU 24 N -2.14 0.50 -1.14 2.60 1.43 -0.42 -4.87 118.68 114.65 1dp0 s LEU 24 Ca 0.06 0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 1dp0 s LEU 24 Cb -0.01 0.14 0.00 0.00 0.03 0.00 0.00 46.19 46.35 1dp0 s LEU 24 CO -0.06 -0.19 0.00 0.59 0.23 0.00 0.00 176.35 176.92 1dp0 n ASN 25 N 4.69 -4.63 -4.81 2.29 3.02 -1.26 -1.78 115.26 112.78 1dp0 n ASN 25 Ca -0.17 0.26 -0.35 0.00 -0.03 0.00 0.00 54.58 54.30 1dp0 n ASN 25 Cb 0.50 -3.08 -0.07 0.00 -0.61 0.00 0.00 39.78 36.53 1dp0 n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1dp0 s ARG 26 N -2.77 4.35 0.60 3.52 3.52 -1.26 -4.62 118.95 122.28 1dp0 s ARG 26 Ca 0.00 1.13 -0.09 0.00 -0.13 0.00 0.00 55.73 56.64 1dp0 s ARG 26 Cb 0.00 -2.51 -0.03 0.00 -1.56 0.00 0.00 34.95 30.85 1dp0 s ARG 26 CO 0.00 0.15 0.97 -0.51 -0.81 0.00 0.00 175.30 175.10 1dp0 s LEU 27 N -2.60 3.27 0.70 -0.88 1.43 0.39 -5.00 118.68 115.99 1dp0 s LEU 27 Ca 0.55 1.19 -0.16 0.00 -1.03 0.00 0.00 54.13 54.68 1dp0 s LEU 27 Cb -0.14 -4.16 0.01 0.00 0.03 0.00 0.00 46.19 41.93 1dp0 s LEU 27 CO 0.18 -0.89 1.10 0.00 0.23 0.00 0.00 176.35 176.98 1dp0 n ALA 28 N -2.66 0.27 -1.94 4.21 0.00 -1.26 -4.68 120.51 114.45 1dp0 n ALA 28 Ca 0.05 -0.13 -0.30 0.00 0.00 0.00 0.00 53.44 53.05 1dp0 n ALA 28 Cb 0.55 -2.20 0.01 0.00 0.00 0.00 0.00 19.45 17.81 1dp0 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dp0 s ALA 29 N -1.70 3.13 -0.05 0.00 0.00 -1.26 -4.99 121.76 116.90 1dp0 s ALA 29 Ca 0.77 -0.19 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 1dp0 s ALA 29 Cb -0.36 -2.99 0.12 0.00 0.00 0.00 0.00 23.12 19.90 1dp0 s ALA 29 CO 0.47 -0.68 1.19 -3.38 0.00 0.00 0.00 175.76 173.35 1dp0 s HIS 30 N -3.12 -0.11 0.98 0.00 -3.43 -1.26 -4.87 115.29 103.47 1dp0 s HIS 30 Ca 0.54 -0.01 -0.12 0.00 -0.80 0.00 0.00 55.06 54.67 1dp0 s HIS 30 Cb -0.11 0.55 0.17 0.00 -1.43 0.00 0.00 32.58 31.76 1dp0 s HIS 30 CO 0.52 -0.35 1.10 -2.14 -2.00 0.00 0.00 174.74 171.87 1dp0 s PRO 31 N -2.60 0.62 -0.01 -0.38 0.02 -1.17 -4.31 135.00 127.18 1dp0 s PRO 31 Ca 0.12 0.49 -0.35 0.00 0.02 0.00 0.00 61.00 61.27 1dp0 s PRO 31 Cb 0.02 -1.76 -0.14 0.00 0.02 0.00 0.00 34.50 32.64 1dp0 s PRO 31 CO -0.04 -2.60 1.70 -2.30 -0.33 0.00 0.00 177.00 173.44 1dp0 n PRO 32 N -4.08 1.92 -4.39 5.54 -0.02 -1.26 -4.99 135.00 127.73 1dp0 n PRO 32 Ca 0.06 0.70 -0.24 0.00 -2.02 0.00 0.00 63.50 61.99 1dp0 n PRO 32 Cb 0.57 -2.48 -0.09 0.00 -0.02 0.00 0.00 33.50 31.49 1dp0 n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1dp0 s PHE 33 N 2.53 2.46 0.00 6.00 2.99 -1.26 -4.78 117.98 125.92 1dp0 s PHE 33 Ca 0.88 -0.28 0.00 0.00 0.00 0.00 0.00 56.93 57.52 1dp0 s PHE 33 Cb -0.77 -1.10 0.00 0.00 0.00 0.00 0.00 43.02 41.16 1dp0 s PHE 33 CO 0.48 0.65 0.00 0.00 -0.00 0.00 0.00 175.22 176.35 1dp0 n ALA 34 N -0.60 0.00 -3.89 5.36 0.00 -1.26 -5.03 120.51 115.10 1dp0 n ALA 34 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.98 1dp0 n ALA 34 Cb 0.59 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.07 1dp0 n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1dp0 n SER 35 N 0.00 -4.61 -4.76 0.00 2.88 -1.26 -4.18 113.62 101.69 1dp0 n SER 35 Ca 0.00 -1.16 -0.35 0.00 -1.33 0.00 0.00 58.87 56.03 1dp0 n SER 35 Cb 0.02 -2.52 0.03 0.00 -0.75 0.00 0.00 64.21 60.99 1dp0 n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1dp0 s TRP 36 N -3.51 2.47 -0.23 0.66 0.51 -0.39 -4.57 118.94 113.88 1dp0 s TRP 36 Ca 0.48 1.54 0.12 0.00 -2.12 0.00 0.00 56.10 56.11 1dp0 s TRP 36 Cb -0.22 -3.38 0.27 0.00 -0.81 0.00 0.00 33.47 29.33 1dp0 s TRP 36 CO 0.92 -1.99 1.18 0.54 -0.51 0.00 0.00 176.95 177.10 1dp0 n ARG 37 N -1.72 2.34 -3.70 4.98 5.12 -1.26 -0.80 116.66 121.61 1dp0 n ARG 37 Ca 0.13 -2.27 -0.19 0.00 -1.93 0.00 0.00 57.85 53.59 1dp0 n ARG 37 Cb 0.50 -1.40 -0.18 0.00 -1.16 0.00 0.00 32.46 30.22 1dp0 n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 1dp0 s ASN 38 N -1.89 0.95 0.29 0.55 3.84 -1.26 -5.00 114.94 112.42 1dp0 s ASN 38 Ca 0.24 0.06 0.04 0.00 0.21 0.00 0.00 52.86 53.42 1dp0 s ASN 38 Cb 0.19 -0.14 0.44 0.00 -0.55 0.00 0.00 41.25 41.19 1dp0 s ASN 38 CO 0.05 -0.22 1.72 0.28 -2.79 0.00 0.00 177.10 176.14 1dp0 h SER 39 N 8.20 0.39 -0.31 -4.21 0.02 -1.98 -2.98 113.55 112.68 1dp0 h SER 39 Ca -0.19 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.54 1dp0 h SER 39 Cb 1.12 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.53 1dp0 h SER 39 CO 0.22 0.69 -0.05 -0.08 -1.14 0.00 0.00 176.83 176.47 1dp0 h GLU 40 N 0.33 0.69 -0.78 3.45 4.57 -2.00 -1.08 114.58 119.77 1dp0 h GLU 40 Ca 0.04 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.01 1dp0 h GLU 40 Cb 0.72 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 29.20 1dp0 h GLU 40 CO 0.06 0.74 0.41 0.93 -1.18 0.00 0.00 179.01 179.96 1dp0 h GLU 41 N 0.64 1.09 -0.29 1.92 5.08 -1.92 -2.14 114.58 118.96 1dp0 h GLU 41 Ca 0.12 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1dp0 h GLU 41 Cb 0.47 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1dp0 h GLU 41 CO 0.02 0.81 -0.21 0.00 -1.00 0.00 0.00 179.01 178.64 1dp0 h ALA 42 N 1.35 1.10 -0.80 3.43 0.00 -1.27 -0.38 119.26 122.69 1dp0 h ALA 42 Ca 0.27 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1dp0 h ALA 42 Cb 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1dp0 h ALA 42 CO -0.04 0.56 0.34 -0.09 0.00 0.00 0.00 179.25 180.01 1dp0 h ARG 43 N 0.49 1.19 -0.24 0.00 2.43 -0.60 -2.97 114.38 114.68 1dp0 h ARG 43 Ca 0.08 -0.20 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1dp0 h ARG 43 Cb 0.63 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 1dp0 h ARG 43 CO 0.04 0.95 0.00 0.25 -1.51 0.00 0.00 179.97 179.70 1dp0 n THR 44 N -4.30 0.29 -3.03 0.20 -2.24 -0.90 -4.96 114.28 99.35 1dp0 n THR 44 Ca 0.07 -0.57 -0.18 0.00 -2.27 0.00 0.00 64.05 61.10 1dp0 n THR 44 Cb 0.17 0.93 0.04 0.00 -2.10 0.00 0.00 70.33 69.38 1dp0 n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1dp0 n ASP 45 N 1.12 -5.29 -4.88 3.42 2.03 -0.26 -4.99 116.55 107.70 1dp0 n ASP 45 Ca 0.17 -0.30 -0.30 0.00 0.52 0.00 0.00 54.79 54.89 1dp0 n ASP 45 Cb 0.53 -4.06 -0.00 0.00 -0.72 0.00 0.00 41.12 36.87 1dp0 n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1dp0 s ARG 46 N -5.65 3.65 0.49 -0.67 0.52 -0.60 -5.00 118.95 111.68 1dp0 s ARG 46 Ca 0.32 0.62 -0.22 0.00 -0.52 0.00 0.00 55.73 55.92 1dp0 s ARG 46 Cb -0.14 -2.19 -0.09 0.00 0.52 0.00 0.00 34.95 33.06 1dp0 s ARG 46 CO 0.39 -0.39 0.97 -2.30 0.02 0.00 0.00 175.30 173.99 1dp0 n PRO 47 N -2.35 1.18 -4.51 3.54 -0.02 -1.26 -4.85 135.00 126.74 1dp0 n PRO 47 Ca 0.04 0.43 -0.34 0.00 -2.02 0.00 0.00 63.50 61.62 1dp0 n PRO 47 Cb 0.54 -2.07 -0.12 0.00 -0.02 0.00 0.00 33.50 31.83 1dp0 n PRO 47 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1dp0 s SER 48 N -0.92 4.62 0.54 2.55 0.15 -1.26 -4.99 113.70 114.40 1dp0 s SER 48 Ca 0.67 -0.15 0.36 0.00 0.70 0.00 0.00 55.95 57.53 1dp0 s SER 48 Cb -0.50 -1.67 1.79 0.00 -1.71 0.00 0.00 66.02 63.93 1dp0 s SER 48 CO 0.54 0.19 2.09 1.56 1.20 0.00 0.00 173.24 178.82 1dp0 h GLN 49 N 6.51 0.00 -0.01 5.44 1.08 -1.91 -1.89 115.11 124.33 1dp0 h GLN 49 Ca -0.32 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.88 1dp0 h GLN 49 Cb 1.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.62 1dp0 h GLN 49 CO 0.60 0.00 -0.05 1.04 -0.95 0.00 0.00 178.83 179.47 1dp0 n GLN 50 N -2.86 0.99 -3.90 1.46 3.00 -1.26 -4.64 117.38 110.17 1dp0 n GLN 50 Ca -0.01 -0.34 -0.30 0.00 -0.01 0.00 0.00 57.00 56.34 1dp0 n GLN 50 Cb 0.15 -1.49 -0.15 0.00 0.00 0.00 0.00 30.24 28.74 1dp0 n GLN 50 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 1dp0 s LEU 51 N -2.24 3.01 0.02 1.08 2.96 -0.71 -0.86 118.68 121.93 1dp0 s LEU 51 Ca 0.36 -1.55 0.02 0.00 -0.22 0.00 0.00 54.13 52.74 1dp0 s LEU 51 Cb 0.21 -1.19 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 1dp0 s LEU 51 CO 0.41 -0.33 0.01 -0.13 -1.32 0.00 0.00 176.35 175.00 1dp0 s ARG 52 N 1.34 2.76 -0.05 1.98 0.52 -0.27 -4.68 118.95 120.56 1dp0 s ARG 52 Ca 0.03 -0.65 -0.14 0.00 -0.52 0.00 0.00 55.73 54.46 1dp0 s ARG 52 Cb -0.18 -2.66 -0.05 0.00 0.52 0.00 0.00 34.95 32.57 1dp0 s ARG 52 CO -0.12 0.61 0.35 0.45 0.02 0.00 0.00 175.30 176.61 1dp0 s SER 53 N -1.74 6.68 -0.08 0.23 0.15 -1.26 -0.21 113.70 117.48 1dp0 s SER 53 Ca 0.21 0.81 0.15 0.00 0.70 0.00 0.00 55.95 57.82 1dp0 s SER 53 Cb -0.12 -2.21 0.50 0.00 -1.71 0.00 0.00 66.02 62.48 1dp0 s SER 53 CO 0.12 0.29 1.42 0.18 1.20 0.00 0.00 173.24 176.45 1dp0 n LEU 54 N 2.20 3.73 -4.76 3.45 4.77 0.20 -4.93 117.00 121.66 1dp0 n LEU 54 Ca -0.14 -2.38 -0.32 0.00 -0.03 0.00 0.00 56.01 53.14 1dp0 n LEU 54 Cb 0.53 -0.42 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1dp0 n LEU 54 CO 0.37 0.76 0.73 0.20 -1.33 0.00 0.00 177.39 178.12 1dp0 s ASN 55 N -1.21 4.77 0.00 -1.43 0.01 -1.23 -4.85 114.94 110.99 1dp0 s ASN 55 Ca 0.37 1.98 0.00 0.00 -0.71 0.00 0.00 52.86 54.51 1dp0 s ASN 55 Cb 0.24 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 39.36 1dp0 s ASN 55 CO 0.18 -1.86 0.00 0.61 -1.51 0.00 0.00 177.10 174.52 1dp0 n GLY 56 N -0.62 0.40 3.68 0.66 0.00 0.01 -4.99 105.19 104.33 1dp0 n GLY 56 Ca 0.10 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 44.16 1dp0 n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dp0 s GLU 57 N -1.33 4.27 0.43 1.61 2.02 -1.26 -1.09 118.70 123.35 1dp0 s GLU 57 Ca 0.00 0.65 0.05 0.00 0.02 0.00 0.00 54.97 55.69 1dp0 s GLU 57 Cb 0.00 -3.53 -0.06 0.00 0.10 0.00 0.00 34.13 30.64 1dp0 s GLU 57 CO 0.00 -0.13 0.02 -1.58 0.02 0.00 0.00 175.26 173.59 1dp0 s TRP 58 N 1.52 2.26 -0.11 1.61 0.52 -0.37 -4.94 118.94 119.43 1dp0 s TRP 58 Ca 0.30 -0.80 -0.06 0.00 0.02 0.00 0.00 56.10 55.56 1dp0 s TRP 58 Cb -0.16 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.46 1dp0 s TRP 58 CO 0.12 0.32 0.11 1.03 0.02 0.00 0.00 176.95 178.55 1dp0 s ARG 59 N -3.77 3.35 -0.09 4.98 1.81 -0.28 -0.63 118.95 124.32 1dp0 s ARG 59 Ca 0.27 -0.19 -0.08 0.00 -1.72 0.00 0.00 55.73 54.01 1dp0 s ARG 59 Cb 0.07 -3.11 0.03 0.00 -0.45 0.00 0.00 34.95 31.49 1dp0 s ARG 59 CO 0.14 0.76 0.23 0.12 -0.68 0.00 0.00 175.30 175.87 1dp0 s PHE 60 N -0.99 -0.26 0.02 -0.53 5.36 -0.22 -0.75 117.98 120.61 1dp0 s PHE 60 Ca 0.15 0.64 0.02 0.00 -0.96 0.00 0.00 56.93 56.77 1dp0 s PHE 60 Cb -0.12 0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.63 1dp0 s PHE 60 CO 0.04 -0.13 -0.06 0.00 -1.46 0.00 0.00 175.22 173.60 1dp0 s ALA 61 N 0.26 0.49 -0.09 11.12 0.00 -0.40 -1.21 121.76 131.94 1dp0 s ALA 61 Ca -0.01 -0.45 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 1dp0 s ALA 61 Cb -0.03 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1dp0 s ALA 61 CO -0.01 0.05 0.03 -0.46 0.00 0.00 0.00 175.76 175.37 1dp0 s TRP 62 N -0.65 3.23 0.10 0.00 -0.00 -1.26 -0.45 118.94 119.91 1dp0 s TRP 62 Ca -0.03 0.24 0.02 0.00 -0.00 0.00 0.00 56.10 56.33 1dp0 s TRP 62 Cb -0.05 -1.81 -0.04 0.00 -0.00 0.00 0.00 33.47 31.57 1dp0 s TRP 62 CO 0.00 0.52 -0.07 -0.06 -0.00 0.00 0.00 176.95 177.34 1dp0 s PHE 63 N -0.93 0.92 -0.67 5.86 0.40 -0.11 -5.00 117.98 118.45 1dp0 s PHE 63 Ca 0.14 -0.88 0.25 0.00 -0.60 0.00 0.00 56.93 55.84 1dp0 s PHE 63 Cb -0.11 -0.52 0.59 0.00 0.51 0.00 0.00 43.02 43.48 1dp0 s PHE 63 CO 0.03 -0.12 1.58 -1.00 0.70 0.00 0.00 175.22 176.41 1dp0 h PRO 64 N 3.01 0.00 -2.30 0.24 0.13 -1.85 -1.10 132.00 130.13 1dp0 h PRO 64 Ca -0.35 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.80 1dp0 h PRO 64 Cb 1.17 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.13 1dp0 h PRO 64 CO 0.64 0.00 0.34 0.00 -0.23 0.00 0.00 178.00 178.74 1dp0 s ALA 65 N -3.14 -1.76 0.50 -0.56 0.00 -1.23 -0.80 121.76 114.78 1dp0 s ALA 65 Ca 0.08 1.04 0.16 0.00 0.00 0.00 0.00 51.96 53.24 1dp0 s ALA 65 Cb 0.12 0.26 1.20 0.00 0.00 0.00 0.00 23.12 24.70 1dp0 s ALA 65 CO 0.65 -0.56 2.11 -1.00 0.00 0.00 0.00 175.76 176.96 1dp0 h PRO 66 N 2.36 0.00 0.00 0.00 0.13 -1.88 -0.84 132.00 131.78 1dp0 h PRO 66 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1dp0 h PRO 66 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1dp0 h PRO 66 CO 0.35 0.05 0.00 0.93 -0.23 0.00 0.00 178.00 179.10 1dp0 h GLU 67 N 0.00 0.00 -0.01 0.86 3.07 -1.95 -2.49 114.58 114.06 1dp0 h GLU 67 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1dp0 h GLU 67 Cb 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.00 1dp0 h GLU 67 CO 0.01 0.00 -0.15 0.00 -1.40 0.00 0.00 179.01 177.46 1dp0 n ALA 68 N -2.02 2.88 -2.62 3.43 0.00 -0.32 -4.87 120.51 116.99 1dp0 n ALA 68 Ca -0.02 -0.44 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 1dp0 n ALA 68 Cb 0.13 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.43 1dp0 n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1dp0 s VAL 69 N -2.28 4.61 0.30 0.00 1.01 -0.94 -4.98 120.40 118.10 1dp0 s VAL 69 Ca 0.30 1.88 -0.29 0.00 0.00 0.00 0.00 61.98 63.86 1dp0 s VAL 69 Cb 0.20 -4.20 -0.10 0.00 0.00 0.00 0.00 36.38 32.28 1dp0 s VAL 69 CO 0.44 0.09 1.12 -2.16 0.00 0.00 0.00 175.10 174.59 1dp0 s PRO 70 N 1.47 4.56 0.53 2.72 0.04 -1.26 -4.92 135.00 138.14 1dp0 s PRO 70 Ca 0.53 1.84 0.21 0.00 0.04 0.00 0.00 61.00 63.62 1dp0 s PRO 70 Cb -0.22 -3.12 1.38 0.00 0.04 0.00 0.00 34.50 32.58 1dp0 s PRO 70 CO 0.25 0.13 2.10 0.93 0.04 0.00 0.00 177.00 180.44 1dp0 h GLU 71 N 3.65 0.00 -0.65 4.56 3.07 -1.99 -1.86 114.58 121.36 1dp0 h GLU 71 Ca -0.47 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 58.51 1dp0 h GLU 71 Cb 1.21 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.08 1dp0 h GLU 71 CO 0.66 0.00 0.44 0.66 -1.40 0.00 0.00 179.01 179.37 1dp0 h SER 72 N 0.00 0.34 -0.11 1.42 4.64 -1.92 -1.16 113.55 116.75 1dp0 h SER 72 Ca 0.09 0.01 0.03 0.00 -0.47 0.00 0.00 61.79 61.46 1dp0 h SER 72 Cb 0.38 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1dp0 h SER 72 CO -0.00 0.20 0.10 -0.25 -0.87 0.00 0.00 176.83 176.00 1dp0 h TRP 73 N 0.38 0.00 -0.30 4.77 7.01 -1.46 -0.62 115.95 125.72 1dp0 h TRP 73 Ca 0.31 0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.26 1dp0 h TRP 73 Cb 0.69 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.73 1dp0 h TRP 73 CO -0.00 0.00 -0.03 -0.07 -2.79 0.00 0.00 178.44 175.55 1dp0 h LEU 74 N 0.00 0.43 0.00 0.65 3.38 -1.39 -3.26 115.31 115.12 1dp0 h LEU 74 Ca 0.05 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1dp0 h LEU 74 Cb 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1dp0 h LEU 74 CO -0.00 0.52 -1.83 1.21 0.09 0.00 0.00 178.44 178.43 1dp0 n GLU 75 N -4.28 0.66 -3.98 1.13 4.07 -0.77 -3.59 120.64 113.87 1dp0 n GLU 75 Ca 0.01 -0.13 -0.11 0.00 -0.06 0.00 0.00 57.16 56.87 1dp0 n GLU 75 Cb 0.25 -1.41 -0.12 0.00 -0.06 0.00 0.00 31.44 30.10 1dp0 n GLU 75 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1dp0 n ASP 77 N 2.00 2.68 -4.71 0.00 2.03 -1.26 -4.00 116.55 113.29 1dp0 n ASP 77 Ca -0.20 1.13 -0.41 0.00 0.52 0.00 0.00 54.79 55.83 1dp0 n ASP 77 Cb 0.56 -1.51 -0.04 0.00 -0.72 0.00 0.00 41.12 39.42 1dp0 n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1dp0 s LEU 78 N -1.60 4.31 0.48 -2.67 1.43 -1.26 -4.93 118.68 114.45 1dp0 s LEU 78 Ca 0.59 1.36 0.15 0.00 -1.03 0.00 0.00 54.13 55.20 1dp0 s LEU 78 Cb -0.52 -3.29 1.13 0.00 0.03 0.00 0.00 46.19 43.54 1dp0 s LEU 78 CO 0.59 -0.23 2.07 -0.65 0.23 0.00 0.00 176.35 178.37 1dp0 h PRO 79 N 6.88 0.03 0.00 1.29 0.11 -2.03 -0.50 132.00 137.78 1dp0 h PRO 79 Ca -0.39 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1dp0 h PRO 79 Cb 1.19 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1dp0 h PRO 79 CO 0.77 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 179.05 1dp0 n GLU 80 N -4.44 0.48 -0.90 1.05 4.71 -1.26 -4.86 120.64 115.41 1dp0 n GLU 80 Ca -0.02 0.02 -0.31 0.00 -0.01 0.00 0.00 57.16 56.84 1dp0 n GLU 80 Cb 0.16 -1.50 0.15 0.00 -1.01 0.00 0.00 31.44 29.23 1dp0 n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1dp0 s ALA 81 N -2.47 1.62 0.35 0.62 0.00 -0.20 -4.97 121.76 116.71 1dp0 s ALA 81 Ca 0.29 0.40 0.07 0.00 0.00 0.00 0.00 51.96 52.72 1dp0 s ALA 81 Cb 0.18 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1dp0 s ALA 81 CO 0.40 -2.48 0.33 -0.51 0.00 0.00 0.00 175.76 173.50 1dp0 s ASP 82 N -2.95 5.32 -0.20 0.00 1.01 -0.35 -4.87 116.67 114.63 1dp0 s ASP 82 Ca 0.65 -0.50 -0.15 0.00 0.71 0.00 0.00 52.55 53.25 1dp0 s ASP 82 Cb -0.21 -0.93 -0.04 0.00 1.01 0.00 0.00 42.92 42.75 1dp0 s ASP 82 CO 0.58 -0.41 0.36 -0.89 0.21 0.00 0.00 175.17 175.02 1dp0 s THR 83 N -2.32 5.23 0.15 -1.27 2.01 -1.26 -1.05 115.64 117.13 1dp0 s THR 83 Ca 0.43 0.64 -0.00 0.00 0.31 0.00 0.00 61.69 63.07 1dp0 s THR 83 Cb -0.06 -3.70 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 1dp0 s THR 83 CO 0.27 0.28 0.05 0.68 -0.69 0.00 0.00 174.62 175.22 1dp0 s VAL 84 N 1.15 0.26 0.27 3.82 -7.23 0.20 -4.94 120.40 113.92 1dp0 s VAL 84 Ca 0.18 -1.94 -0.19 0.00 -1.81 0.00 0.00 61.98 58.22 1dp0 s VAL 84 Cb -0.14 -2.14 -0.09 0.00 0.56 0.00 0.00 36.38 34.57 1dp0 s VAL 84 CO 0.07 -0.40 0.75 -0.69 -0.31 0.00 0.00 175.10 174.52 1dp0 s VAL 85 N -3.94 4.56 -0.04 1.32 1.01 -1.26 -1.24 120.40 120.82 1dp0 s VAL 85 Ca 0.26 1.24 0.02 0.00 0.00 0.00 0.00 61.98 63.50 1dp0 s VAL 85 Cb 0.07 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1dp0 s VAL 85 CO 0.04 0.07 -0.10 -0.69 0.00 0.00 0.00 175.10 174.42 1dp0 s VAL 86 N -1.69 0.87 0.56 2.92 1.01 -0.25 -4.14 120.40 119.69 1dp0 s VAL 86 Ca 0.47 -0.38 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 1dp0 s VAL 86 Cb -0.15 -0.79 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 1dp0 s VAL 86 CO 0.20 0.28 1.03 -2.16 0.00 0.00 0.00 175.10 174.45 1dp0 s PRO 87 N 0.35 3.56 0.03 2.72 0.04 -1.26 -0.81 135.00 139.63 1dp0 s PRO 87 Ca -0.06 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 61.86 1dp0 s PRO 87 Cb -0.11 -2.07 0.09 0.00 0.04 0.00 0.00 34.50 32.46 1dp0 s PRO 87 CO 0.01 -0.61 0.96 -1.54 0.04 0.00 0.00 177.00 175.86 1dp0 s SER 88 N -2.73 -0.26 -0.21 6.66 1.04 -0.24 -4.94 113.70 113.02 1dp0 s SER 88 Ca 0.63 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.84 1dp0 s SER 88 Cb -0.14 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 1dp0 s SER 88 CO 0.33 -0.66 0.07 0.20 0.98 0.00 0.00 173.24 174.15 1dp0 s ASN 89 N -2.65 5.52 0.62 7.02 -0.87 -1.26 -3.16 114.94 120.16 1dp0 s ASN 89 Ca 0.08 -0.00 0.40 0.00 -1.57 0.00 0.00 52.86 51.77 1dp0 s ASN 89 Cb -0.01 -1.96 2.05 0.00 -0.02 0.00 0.00 41.25 41.31 1dp0 s ASN 89 CO -0.05 0.10 2.24 4.11 -2.57 0.00 0.00 177.10 180.94 1dp0 h TRP 90 N 7.22 0.00 -0.06 2.20 0.09 -1.76 0.15 115.95 123.78 1dp0 h TRP 90 Ca -0.37 0.00 -0.06 0.00 0.09 0.00 0.00 58.89 58.55 1dp0 h TRP 90 Cb 1.17 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.40 1dp0 h TRP 90 CO 0.61 0.01 -0.24 1.96 0.09 0.00 0.00 178.44 180.87 1dp0 h GLN 91 N 0.00 0.10 0.00 0.12 7.50 -1.79 -2.56 115.11 118.48 1dp0 h GLN 91 Ca -0.00 -0.03 0.00 0.00 0.50 0.00 0.00 58.65 59.12 1dp0 h GLN 91 Cb 0.17 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.69 1dp0 h GLN 91 CO 0.00 0.33 0.00 -1.33 -1.50 0.00 0.00 178.83 176.33 1dp0 n MET 92 N -4.22 0.21 -0.01 1.46 2.81 0.51 -1.94 117.12 115.95 1dp0 n MET 92 Ca -0.02 0.40 0.11 0.00 -1.81 0.00 0.00 57.70 56.39 1dp0 n MET 92 Cb 0.32 -1.88 0.10 0.00 -0.71 0.00 0.00 33.22 31.04 1dp0 n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1dp0 n HIS 93 N -2.28 0.02 -0.49 2.03 8.25 -0.99 -4.99 115.22 116.77 1dp0 n HIS 93 Ca 0.02 -0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1dp0 n HIS 93 Cb 0.26 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.37 1dp0 n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dp0 n GLY 94 N 1.29 0.75 0.16 -1.41 0.00 -0.82 -4.95 105.19 100.21 1dp0 n GLY 94 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 1dp0 n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1dp0 h TYR 95 N 0.00 0.00 -3.07 1.61 -1.99 -1.71 -3.46 116.97 108.34 1dp0 h TYR 95 Ca 0.00 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.74 1dp0 h TYR 95 Cb 0.00 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.70 1dp0 h TYR 95 CO 0.00 0.52 0.22 0.16 -0.00 0.00 0.00 178.16 179.06 1dp0 s ASP 96 N -6.76 -0.07 0.10 3.88 1.47 -1.26 -5.03 116.67 109.00 1dp0 s ASP 96 Ca -0.01 -0.93 -0.17 0.00 1.18 0.00 0.00 52.55 52.61 1dp0 s ASP 96 Cb 0.13 0.78 -0.07 0.00 -0.34 0.00 0.00 42.92 43.42 1dp0 s ASP 96 CO 0.74 -1.51 0.56 0.00 0.68 0.00 0.00 175.17 175.64 1dp0 s ALA 97 N -3.07 3.58 0.55 2.11 0.00 -1.26 -4.40 121.76 119.27 1dp0 s ALA 97 Ca 0.15 -0.03 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 1dp0 s ALA 97 Cb -0.05 -2.59 -0.06 0.00 0.00 0.00 0.00 23.12 20.42 1dp0 s ALA 97 CO 0.10 0.42 1.03 -1.25 0.00 0.00 0.00 175.76 176.06 1dp0 s PRO 98 N -1.46 3.59 -0.08 0.00 0.04 -1.26 -4.99 135.00 130.85 1dp0 s PRO 98 Ca 0.33 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1dp0 s PRO 98 Cb -0.18 -2.07 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 1dp0 s PRO 98 CO 0.19 -0.59 -0.22 0.42 0.04 0.00 0.00 177.00 176.84 1dp0 s ILE 99 N -2.39 1.87 -0.38 0.56 1.01 -1.08 -4.68 121.20 116.12 1dp0 s ILE 99 Ca 0.63 -0.93 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1dp0 s ILE 99 Cb -0.14 -1.61 0.09 0.00 0.01 0.00 0.00 42.46 40.80 1dp0 s ILE 99 CO 0.31 0.52 0.16 -0.47 0.00 0.00 0.00 174.94 175.46 1dp0 s TYR 100 N 0.20 3.45 -0.02 3.97 5.04 -1.26 -0.28 117.35 128.45 1dp0 s TYR 100 Ca -0.12 -2.07 0.05 0.00 -2.44 0.00 0.00 57.07 52.49 1dp0 s TYR 100 Cb -0.16 -2.85 -0.01 0.00 0.35 0.00 0.00 41.96 39.30 1dp0 s TYR 100 CO 0.06 -0.90 -0.16 -0.08 -1.34 0.00 0.00 175.55 173.14 1dp0 s THR 101 N 1.23 1.28 0.00 4.34 -1.32 -1.26 -1.68 115.64 118.22 1dp0 s THR 101 Ca 0.03 -0.67 0.00 0.00 -1.21 0.00 0.00 61.69 59.85 1dp0 s THR 101 Cb -0.22 -1.08 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 1dp0 s THR 101 CO -0.02 0.37 0.00 -3.20 -2.21 0.00 0.00 174.62 169.56 1dp0 n ASN 102 N 2.86 0.00 -0.12 8.08 2.85 -1.26 -4.09 115.26 123.58 1dp0 n ASN 102 Ca -0.16 0.17 -0.25 0.00 -0.11 0.00 0.00 54.58 54.23 1dp0 n ASN 102 Cb 0.54 -0.20 -0.11 0.00 1.24 0.00 0.00 39.78 41.25 1dp0 n ASN 102 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1dp0 n VAL 103 N -1.23 1.53 -1.73 3.44 0.31 -1.26 -4.00 118.33 115.39 1dp0 n VAL 103 Ca 0.00 -0.19 -0.42 0.00 -0.01 0.00 0.00 64.34 63.72 1dp0 n VAL 103 Cb 0.00 -1.97 -0.02 0.00 -0.91 0.00 0.00 33.84 30.94 1dp0 n VAL 103 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1dp0 n THR 104 N -4.35 0.50 -1.93 2.52 -1.04 -1.26 -3.39 114.28 105.33 1dp0 n THR 104 Ca -0.42 -0.13 -0.37 0.00 -2.04 0.00 0.00 64.05 61.09 1dp0 n THR 104 Cb 0.77 -1.95 0.04 0.00 -1.82 0.00 0.00 70.33 67.37 1dp0 n THR 104 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 1dp0 s TYR 105 N 0.58 2.37 -1.38 -1.42 1.51 -1.26 -4.86 117.35 112.89 1dp0 s TYR 105 Ca 0.70 1.47 0.22 0.00 -1.01 0.00 0.00 57.07 58.45 1dp0 s TYR 105 Cb -0.51 -3.60 1.10 0.00 -0.11 0.00 0.00 41.96 38.84 1dp0 s TYR 105 CO 0.40 -2.45 1.72 -0.35 -1.11 0.00 0.00 175.55 173.76 1dp0 n PRO 106 N -1.34 0.28 -4.26 -1.71 -0.04 -1.26 -4.73 135.00 121.94 1dp0 n PRO 106 Ca 0.12 0.08 -0.17 0.00 -0.04 0.00 0.00 63.50 63.49 1dp0 n PRO 106 Cb 0.48 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.33 1dp0 n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1dp0 s ILE 107 N -2.62 1.34 0.30 0.52 -4.36 -1.26 -5.07 121.20 110.05 1dp0 s ILE 107 Ca 0.20 -1.86 -0.29 0.00 -0.26 0.00 0.00 60.65 58.44 1dp0 s ILE 107 Cb 0.15 -1.67 -0.13 0.00 1.25 0.00 0.00 42.46 42.06 1dp0 s ILE 107 CO 0.35 -0.52 1.18 0.41 0.24 0.00 0.00 174.94 176.60 1dp0 n THR 108 N 0.25 1.79 -2.57 8.37 -1.04 -1.26 -4.87 114.28 114.96 1dp0 n THR 108 Ca -0.13 -0.45 -0.42 0.00 -2.04 0.00 0.00 64.05 61.01 1dp0 n THR 108 Cb 0.58 -1.27 -0.03 0.00 -1.82 0.00 0.00 70.33 67.79 1dp0 n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1dp0 s VAL 109 N -0.89 3.88 -0.46 12.58 1.01 -1.26 -4.77 120.40 130.48 1dp0 s VAL 109 Ca 0.59 0.67 0.06 0.00 0.00 0.00 0.00 61.98 63.30 1dp0 s VAL 109 Cb -0.65 -4.82 0.30 0.00 0.00 0.00 0.00 36.38 31.21 1dp0 s VAL 109 CO 0.59 -1.59 1.04 -3.20 0.00 0.00 0.00 175.10 171.94 1dp0 n ASN 110 N 8.88 -2.24 -4.72 3.32 5.15 -1.26 -5.11 115.26 119.28 1dp0 n ASN 110 Ca 0.06 -3.56 -0.39 0.00 -0.60 0.00 0.00 54.58 50.09 1dp0 n ASN 110 Cb 0.49 1.72 0.04 0.00 -0.53 0.00 0.00 39.78 41.50 1dp0 n ASN 110 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1dp0 n PRO 111 N 0.66 1.57 -0.82 1.20 -0.04 -1.26 -0.07 135.00 136.24 1dp0 n PRO 111 Ca 0.08 0.58 -0.03 0.00 -0.04 0.00 0.00 63.50 64.09 1dp0 n PRO 111 Cb 0.68 -2.51 0.27 0.00 -0.04 0.00 0.00 33.50 31.89 1dp0 n PRO 111 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 1dp0 n PRO 112 N -1.00 3.42 -2.42 0.54 -0.04 -1.26 -5.09 135.00 129.14 1dp0 n PRO 112 Ca 0.11 -2.51 -0.28 0.00 -0.04 0.00 0.00 63.50 60.78 1dp0 n PRO 112 Cb 0.45 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.84 1dp0 n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1dp0 s PHE 113 N -2.51 3.58 0.29 0.54 0.40 0.90 -4.33 117.98 116.86 1dp0 s PHE 113 Ca 0.45 0.95 0.03 0.00 -0.60 0.00 0.00 56.93 57.76 1dp0 s PHE 113 Cb 0.35 -2.42 -0.06 0.00 0.51 0.00 0.00 43.02 41.40 1dp0 s PHE 113 CO 0.11 -0.39 0.05 0.14 0.70 0.00 0.00 175.22 175.83 1dp0 s VAL 114 N -2.86 1.04 0.66 -0.44 -7.23 -1.26 -4.55 120.40 105.76 1dp0 s VAL 114 Ca 0.50 -2.01 -0.17 0.00 -1.81 0.00 0.00 61.98 58.49 1dp0 s VAL 114 Cb -0.10 -2.66 -0.00 0.00 0.56 0.00 0.00 36.38 34.18 1dp0 s VAL 114 CO 0.47 -0.08 1.20 -2.84 -0.31 0.00 0.00 175.10 173.55 1dp0 s PRO 115 N -3.91 2.60 0.27 4.82 0.02 -1.26 -4.91 135.00 132.63 1dp0 s PRO 115 Ca 0.35 1.78 0.07 0.00 0.02 0.00 0.00 61.00 63.22 1dp0 s PRO 115 Cb 0.08 -1.89 0.35 0.00 0.02 0.00 0.00 34.50 33.06 1dp0 s PRO 115 CO 0.14 -1.49 1.62 1.79 -0.33 0.00 0.00 177.00 178.73 1dp0 h THR 116 N 0.32 1.39 -2.86 0.99 1.35 -2.00 -3.34 112.91 108.75 1dp0 h THR 116 Ca -0.49 -1.92 -0.62 0.00 -0.55 0.00 0.00 66.41 62.83 1dp0 h THR 116 Cb 1.30 1.99 -0.13 0.00 -1.73 0.00 0.00 68.15 69.57 1dp0 h THR 116 CO 0.53 0.56 0.55 -1.61 -0.25 0.00 0.00 175.52 175.30 1dp0 s GLU 117 N -3.79 3.19 -0.30 4.72 2.02 -1.26 -4.73 118.70 118.55 1dp0 s GLU 117 Ca -0.03 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1dp0 s GLU 117 Cb 0.13 -4.16 0.09 0.00 0.10 0.00 0.00 34.13 30.29 1dp0 s GLU 117 CO 0.78 -1.69 0.07 1.21 0.02 0.00 0.00 175.26 175.64 1dp0 s ASN 118 N 3.34 4.13 -0.01 -0.19 2.47 0.02 -4.97 114.94 119.73 1dp0 s ASN 118 Ca 0.25 -1.67 -0.38 0.00 0.42 0.00 0.00 52.86 51.49 1dp0 s ASN 118 Cb -0.15 -1.06 -0.16 0.00 -1.45 0.00 0.00 41.25 38.42 1dp0 s ASN 118 CO 0.14 -0.38 1.46 -2.65 -3.72 0.00 0.00 177.10 171.94 1dp0 n PRO 119 N 4.70 1.19 -4.46 0.43 -0.02 -1.21 -3.47 135.00 132.15 1dp0 n PRO 119 Ca -0.02 0.43 -0.29 0.00 -2.02 0.00 0.00 63.50 61.60 1dp0 n PRO 119 Cb 0.42 -2.09 -0.17 0.00 -0.02 0.00 0.00 33.50 31.65 1dp0 n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1dp0 s THR 120 N 1.34 1.56 -0.23 3.45 2.01 -0.42 -1.13 115.64 122.23 1dp0 s THR 120 Ca 0.88 -0.68 -0.06 0.00 0.31 0.00 0.00 61.69 62.14 1dp0 s THR 120 Cb -0.97 -1.42 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 1dp0 s THR 120 CO 0.52 0.45 0.03 -0.83 -0.69 0.00 0.00 174.62 174.10 1dp0 s GLY 121 N 0.99 1.72 -0.48 4.40 0.00 -0.13 -0.94 107.32 112.88 1dp0 s GLY 121 Ca -0.06 -1.10 -0.14 0.00 0.00 0.00 0.00 44.72 43.42 1dp0 s GLY 121 CO -0.02 0.44 0.40 0.00 0.00 0.00 0.00 173.10 173.92 1dp0 s TYR 123 N 1.59 3.27 0.11 0.00 1.51 -0.00 -1.27 117.35 122.56 1dp0 s TYR 123 Ca 0.04 0.18 -0.11 0.00 -1.01 0.00 0.00 57.07 56.16 1dp0 s TYR 123 Cb -0.25 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 39.89 1dp0 s TYR 123 CO 0.05 0.54 0.27 -1.54 -1.11 0.00 0.00 175.55 173.77 1dp0 s SER 124 N -1.91 -0.00 -0.16 2.29 1.04 0.07 -0.18 113.70 114.84 1dp0 s SER 124 Ca 0.25 -0.59 -0.09 0.00 0.48 0.00 0.00 55.95 56.00 1dp0 s SER 124 Cb -0.12 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.46 1dp0 s SER 124 CO 0.16 -0.80 0.39 -0.22 0.98 0.00 0.00 173.24 173.76 1dp0 s LEU 125 N -2.86 -0.03 -0.22 2.42 2.96 -0.95 -1.12 118.68 118.88 1dp0 s LEU 125 Ca 0.06 0.85 -0.10 0.00 -0.22 0.00 0.00 54.13 54.73 1dp0 s LEU 125 Cb 0.04 1.28 -0.05 0.00 0.50 0.00 0.00 46.19 47.96 1dp0 s LEU 125 CO -0.09 -0.19 0.13 -0.89 -1.32 0.00 0.00 176.35 173.99 1dp0 s THR 126 N 1.36 5.22 0.10 3.68 2.01 -1.26 -1.27 115.64 125.48 1dp0 s THR 126 Ca -0.09 0.13 -0.09 0.00 0.31 0.00 0.00 61.69 61.94 1dp0 s THR 126 Cb -0.08 -3.41 -0.00 0.00 0.01 0.00 0.00 72.50 69.02 1dp0 s THR 126 CO -0.12 0.39 0.21 0.72 -0.69 0.00 0.00 174.62 175.12 1dp0 s PHE 127 N 0.81 0.16 0.09 4.92 -0.12 0.79 -4.92 117.98 119.71 1dp0 s PHE 127 Ca 0.07 -0.58 -0.06 0.00 -0.05 0.00 0.00 56.93 56.31 1dp0 s PHE 127 Cb -0.13 -0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.16 1dp0 s PHE 127 CO 0.02 -0.57 0.35 1.21 -0.05 0.00 0.00 175.22 176.19 1dp0 s ASN 128 N -2.87 6.52 -0.09 1.98 2.47 -1.26 -0.23 114.94 121.47 1dp0 s ASN 128 Ca 0.06 0.62 0.02 0.00 0.42 0.00 0.00 52.86 53.98 1dp0 s ASN 128 Cb 0.05 -2.11 0.01 0.00 -1.45 0.00 0.00 41.25 37.75 1dp0 s ASN 128 CO -0.10 0.13 -0.13 -0.69 -3.72 0.00 0.00 177.10 172.59 1dp0 s VAL 129 N -1.51 1.27 0.42 -5.21 1.01 0.41 -4.96 120.40 111.83 1dp0 s VAL 129 Ca 0.36 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 1dp0 s VAL 129 Cb -0.13 -1.17 -0.08 0.00 0.00 0.00 0.00 36.38 35.00 1dp0 s VAL 129 CO 0.21 0.39 1.08 -0.62 0.00 0.00 0.00 175.10 176.16 1dp0 s ASP 130 N 0.90 6.56 0.55 3.32 2.15 -1.26 -1.11 116.67 127.78 1dp0 s ASP 130 Ca -0.09 2.10 0.23 0.00 0.43 0.00 0.00 52.55 55.21 1dp0 s ASP 130 Cb -0.15 -2.59 1.50 0.00 -0.30 0.00 0.00 42.92 41.39 1dp0 s ASP 130 CO 0.01 -0.64 2.16 -0.08 -0.17 0.00 0.00 175.17 176.45 1dp0 h GLU 131 N 2.28 0.00 0.00 4.34 4.57 -1.95 -0.76 114.58 123.06 1dp0 h GLU 131 Ca -0.49 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.69 1dp0 h GLU 131 Cb 1.22 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.81 1dp0 h GLU 131 CO 0.61 0.00 -0.03 0.66 -1.18 0.00 0.00 179.01 179.08 1dp0 h SER 132 N 0.00 0.00 1.11 1.04 4.64 -1.99 0.16 113.55 118.52 1dp0 h SER 132 Ca 0.03 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 1dp0 h SER 132 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1dp0 h SER 132 CO -0.00 0.03 -0.28 -0.50 -0.87 0.00 0.00 176.83 175.20 1dp0 h TRP 133 N 0.00 0.00 0.00 4.77 4.06 -1.44 -3.28 115.95 120.06 1dp0 h TRP 133 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1dp0 h TRP 133 Cb 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.21 1dp0 h TRP 133 CO 0.00 0.28 -1.68 1.28 -3.56 0.00 0.00 178.44 174.76 1dp0 n LEU 134 N -3.34 0.30 0.16 -4.49 4.77 -0.14 -4.33 117.00 109.93 1dp0 n LEU 134 Ca 0.01 -0.11 0.02 0.00 -0.03 0.00 0.00 56.01 55.90 1dp0 n LEU 134 Cb 0.51 -0.01 0.26 0.00 -2.33 0.00 0.00 43.42 41.86 1dp0 n LEU 134 CO 0.35 0.06 0.60 -0.61 -1.33 0.00 0.00 177.39 176.46 1dp0 h GLN 135 N 0.00 0.00 -3.85 3.23 5.75 -0.83 -3.46 115.11 115.96 1dp0 h GLN 135 Ca 0.00 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 1dp0 h GLN 135 Cb 0.86 0.00 -0.16 0.00 1.07 0.00 0.00 27.48 29.26 1dp0 h GLN 135 CO 0.00 0.49 -0.48 -1.21 -2.65 0.00 0.00 178.83 174.98 1dp0 s GLU 136 N -3.68 0.70 1.00 1.69 0.41 -1.26 -5.12 118.70 112.44 1dp0 s GLU 136 Ca -0.01 -0.89 0.00 0.00 -0.41 0.00 0.00 54.97 53.66 1dp0 s GLU 136 Cb 0.12 0.28 0.00 0.00 -1.78 0.00 0.00 34.13 32.75 1dp0 s GLU 136 CO 0.73 -0.19 0.00 0.41 -0.49 0.00 0.00 175.26 175.71 1dp0 n GLY 137 N 0.33 -2.02 3.19 -1.39 0.00 -1.26 -4.80 105.19 99.24 1dp0 n GLY 137 Ca -0.17 -1.40 -0.29 0.00 0.00 0.00 0.00 46.02 44.16 1dp0 n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dp0 s GLN 138 N -0.10 2.41 -0.25 1.61 0.74 0.74 -4.81 119.66 120.00 1dp0 s GLN 138 Ca 0.00 -0.76 -0.04 0.00 0.05 0.00 0.00 55.36 54.61 1dp0 s GLN 138 Cb 0.00 -1.96 0.00 0.00 1.10 0.00 0.00 33.01 32.16 1dp0 s GLN 138 CO 0.00 0.24 -0.01 0.99 -0.55 0.00 0.00 175.29 175.96 1dp0 s THR 139 N 0.15 3.50 0.23 -0.34 2.01 -1.26 -0.70 115.64 119.23 1dp0 s THR 139 Ca -0.10 -0.63 0.11 0.00 0.31 0.00 0.00 61.69 61.39 1dp0 s THR 139 Cb -0.15 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.63 1dp0 s THR 139 CO 0.05 0.28 -0.19 0.00 -0.69 0.00 0.00 174.62 174.07 1dp0 s ARG 140 N 1.46 1.71 0.02 4.92 1.70 -0.44 0.39 118.95 128.71 1dp0 s ARG 140 Ca 0.04 -1.56 0.02 0.00 -0.47 0.00 0.00 55.73 53.76 1dp0 s ARG 140 Cb -0.16 -1.89 -0.04 0.00 -0.57 0.00 0.00 34.95 32.30 1dp0 s ARG 140 CO -0.02 0.38 0.02 -1.50 -1.08 0.00 0.00 175.30 173.10 1dp0 s ILE 141 N -2.00 4.23 -0.08 4.99 2.07 0.00 -1.10 121.20 129.32 1dp0 s ILE 141 Ca 0.25 -0.66 0.01 0.00 -1.41 0.00 0.00 60.65 58.83 1dp0 s ILE 141 Cb -0.07 -2.93 0.02 0.00 0.13 0.00 0.00 42.46 39.61 1dp0 s ILE 141 CO 0.13 0.30 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.76 1dp0 s ILE 142 N -1.17 0.87 -0.39 2.00 1.01 0.53 -1.70 121.20 122.35 1dp0 s ILE 142 Ca 0.22 -0.25 -0.07 0.00 0.00 0.00 0.00 60.65 60.54 1dp0 s ILE 142 Cb -0.12 -0.87 0.07 0.00 0.01 0.00 0.00 42.46 41.55 1dp0 s ILE 142 CO 0.13 0.32 0.20 -0.36 0.00 0.00 0.00 174.94 175.24 1dp0 s PHE 143 N 1.27 3.35 0.13 3.97 0.40 -0.37 -0.71 117.98 126.02 1dp0 s PHE 143 Ca -0.04 -1.62 0.34 0.00 -0.60 0.00 0.00 56.93 55.01 1dp0 s PHE 143 Cb -0.14 -2.79 1.52 0.00 0.51 0.00 0.00 43.02 42.12 1dp0 s PHE 143 CO -0.03 -0.83 2.02 -0.44 0.70 0.00 0.00 175.22 176.64 1dp0 h ASP 144 N 8.30 0.00 -1.14 1.36 3.32 -1.23 -0.98 116.42 126.05 1dp0 h ASP 144 Ca -0.22 0.00 0.15 0.00 0.02 0.00 0.00 57.03 56.98 1dp0 h ASP 144 Cb 1.08 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.41 1dp0 h ASP 144 CO 0.70 0.00 0.05 -0.83 -1.72 0.00 0.00 179.24 177.44 1dp0 s GLY 145 N -4.09 -0.47 -0.06 2.75 0.00 -1.26 -3.57 107.32 100.62 1dp0 s GLY 145 Ca 0.00 2.65 -0.00 0.00 0.00 0.00 0.00 44.72 47.37 1dp0 s GLY 145 CO 0.49 3.31 -0.02 0.14 0.00 0.00 0.00 173.10 177.02 1dp0 s VAL 146 N 2.70 0.42 -0.23 1.40 1.01 -1.24 -1.78 120.40 122.68 1dp0 s VAL 146 Ca 0.01 0.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.99 1dp0 s VAL 146 Cb -0.10 -0.52 0.02 0.00 0.00 0.00 0.00 36.38 35.78 1dp0 s VAL 146 CO -0.17 0.24 -0.09 0.21 0.00 0.00 0.00 175.10 175.29 1dp0 s ASN 147 N 1.48 4.07 -0.00 3.32 3.84 0.15 -4.12 114.94 123.68 1dp0 s ASN 147 Ca -0.02 -0.71 0.07 0.00 0.21 0.00 0.00 52.86 52.40 1dp0 s ASN 147 Cb -0.13 -1.64 -0.09 0.00 -0.55 0.00 0.00 41.25 38.83 1dp0 s ASN 147 CO -0.03 -0.07 0.23 -1.54 -2.79 0.00 0.00 177.10 172.90 1dp0 n SER 148 N 4.69 1.67 -3.53 -4.21 3.41 -0.31 -1.17 113.62 114.16 1dp0 n SER 148 Ca -0.18 -0.37 -0.12 0.00 -0.26 0.00 0.00 58.87 57.94 1dp0 n SER 148 Cb 0.49 1.14 -0.04 0.00 -0.26 0.00 0.00 64.21 65.54 1dp0 n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dp0 s ALA 149 N -2.03 -1.30 0.10 7.33 0.00 -1.16 -3.88 121.76 120.83 1dp0 s ALA 149 Ca 0.00 0.34 -0.25 0.00 0.00 0.00 0.00 51.96 52.06 1dp0 s ALA 149 Cb 0.05 0.68 0.08 0.00 0.00 0.00 0.00 23.12 23.93 1dp0 s ALA 149 CO 0.29 -0.65 0.70 -0.59 0.00 0.00 0.00 175.76 175.50 1dp0 s PHE 150 N -3.41 -0.47 0.06 0.00 -0.12 -0.67 -0.86 117.98 112.51 1dp0 s PHE 150 Ca -0.00 0.29 0.05 0.00 -0.05 0.00 0.00 56.93 57.22 1dp0 s PHE 150 Cb 0.00 0.55 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1dp0 s PHE 150 CO -0.10 -0.75 -0.07 -1.01 -0.05 0.00 0.00 175.22 173.25 1dp0 s HIS 151 N -3.53 2.84 -0.02 3.49 3.76 -0.75 -1.12 115.29 119.95 1dp0 s HIS 151 Ca 0.02 -0.09 0.05 0.00 -0.15 0.00 0.00 55.06 54.89 1dp0 s HIS 151 Cb -0.01 -1.52 -0.01 0.00 1.11 0.00 0.00 32.58 32.15 1dp0 s HIS 151 CO -0.12 0.41 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.86 1dp0 s LEU 152 N -1.93 1.97 0.10 0.89 2.96 -0.45 -1.00 118.68 121.22 1dp0 s LEU 152 Ca 0.21 -0.30 0.06 0.00 -0.22 0.00 0.00 54.13 53.87 1dp0 s LEU 152 Cb -0.11 -0.85 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 1dp0 s LEU 152 CO 0.12 0.17 -0.15 0.26 -1.32 0.00 0.00 176.35 175.44 1dp0 s TRP 153 N -0.20 1.34 -0.04 5.38 0.51 0.25 -0.26 118.94 125.92 1dp0 s TRP 153 Ca 0.02 -0.51 0.00 0.00 -2.12 0.00 0.00 56.10 53.50 1dp0 s TRP 153 Cb -0.08 -0.73 0.03 0.00 -0.81 0.00 0.00 33.47 31.88 1dp0 s TRP 153 CO 0.00 0.11 -0.01 0.00 -0.51 0.00 0.00 176.95 176.54 1dp0 n ASN 155 N 4.33 -3.70 0.00 0.00 3.02 0.99 -1.34 115.26 118.57 1dp0 n ASN 155 Ca -0.22 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1dp0 n ASN 155 Cb 0.50 -3.06 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 1dp0 n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dp0 n GLY 156 N -1.48 1.64 3.67 7.41 0.00 -1.24 -5.02 105.19 110.17 1dp0 n GLY 156 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 1dp0 n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dp0 s ARG 157 N -0.08 3.10 0.23 1.61 0.52 -0.45 -4.92 118.95 118.97 1dp0 s ARG 157 Ca 0.00 -0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 54.51 1dp0 s ARG 157 Cb 0.00 -2.83 -0.09 0.00 0.52 0.00 0.00 34.95 32.55 1dp0 s ARG 157 CO 0.00 0.64 1.17 -0.46 0.02 0.00 0.00 175.30 176.67 1dp0 s TRP 158 N -0.72 3.45 -0.15 -0.53 -0.00 -1.26 -1.06 118.94 118.67 1dp0 s TRP 158 Ca 0.11 1.53 -0.08 0.00 -0.00 0.00 0.00 56.10 57.67 1dp0 s TRP 158 Cb -0.12 -3.39 -0.07 0.00 -0.00 0.00 0.00 33.47 29.89 1dp0 s TRP 158 CO 0.02 -1.00 -0.20 0.28 -0.00 0.00 0.00 176.95 176.05 1dp0 n VAL 159 N 1.85 0.87 -3.02 5.86 0.31 0.64 -4.91 118.33 119.93 1dp0 n VAL 159 Ca 0.02 -0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1dp0 n VAL 159 Cb 0.44 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1dp0 n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1dp0 n GLY 160 N 2.04 -1.14 3.25 2.92 0.00 -1.14 -4.75 105.19 106.37 1dp0 n GLY 160 Ca -0.30 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 1dp0 n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1dp0 s TYR 161 N -3.00 -0.16 0.02 1.61 5.04 -0.73 -1.35 117.35 118.79 1dp0 s TYR 161 Ca 0.00 0.16 -0.16 0.00 -2.44 0.00 0.00 57.07 54.63 1dp0 s TYR 161 Cb 0.00 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.44 1dp0 s TYR 161 CO 0.00 -0.44 0.35 0.20 -1.34 0.00 0.00 175.55 174.32 1dp0 s GLY 162 N -1.64 -0.20 0.38 8.97 0.00 -0.28 -1.30 107.32 113.26 1dp0 s GLY 162 Ca -0.10 0.24 0.04 0.00 0.00 0.00 0.00 44.72 44.90 1dp0 s GLY 162 CO 0.01 0.01 0.15 1.20 0.00 0.00 0.00 173.10 174.47 1dp0 s GLN 163 N -2.14 1.86 0.00 2.90 -0.21 -0.45 -1.67 119.66 119.96 1dp0 s GLN 163 Ca -0.08 -2.12 0.00 0.00 0.02 0.00 0.00 55.36 53.19 1dp0 s GLN 163 Cb -0.02 -0.45 0.00 0.00 1.00 0.00 0.00 33.01 33.54 1dp0 s GLN 163 CO -0.00 -0.48 0.00 -3.47 -2.12 0.00 0.00 175.29 169.21 1dp0 n ASP 164 N -1.26 -1.91 0.00 5.90 -0.08 -1.25 -4.94 116.55 113.01 1dp0 n ASP 164 Ca -0.03 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.30 1dp0 n ASP 164 Cb 0.65 -0.95 0.25 0.00 2.34 0.00 0.00 41.12 43.40 1dp0 n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1dp0 n SER 165 N 0.00 0.00 -0.04 1.67 7.64 -1.26 -3.56 113.62 118.07 1dp0 n SER 165 Ca 0.00 0.23 0.04 0.00 1.01 0.00 0.00 58.87 60.14 1dp0 n SER 165 Cb 0.00 -0.34 0.06 0.00 -1.01 0.00 0.00 64.21 62.92 1dp0 n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1dp0 n ARG 166 N -1.34 2.21 -4.16 1.43 5.12 -1.26 -3.73 116.66 114.93 1dp0 n ARG 166 Ca 0.04 -1.90 -0.13 0.00 -1.93 0.00 0.00 57.85 53.93 1dp0 n ARG 166 Cb 0.09 -1.18 -0.11 0.00 -1.16 0.00 0.00 32.46 30.11 1dp0 n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1dp0 s LEU 167 N -1.70 2.40 0.36 0.55 1.43 -1.23 -4.44 118.68 116.05 1dp0 s LEU 167 Ca 0.13 -0.81 -0.27 0.00 -1.03 0.00 0.00 54.13 52.15 1dp0 s LEU 167 Cb 0.11 -0.24 -0.09 0.00 0.03 0.00 0.00 46.19 46.00 1dp0 s LEU 167 CO 0.01 -0.29 1.17 -2.16 0.23 0.00 0.00 176.35 175.31 1dp0 s PRO 168 N -2.80 4.25 -0.19 1.29 0.04 -1.23 -4.50 135.00 131.86 1dp0 s PRO 168 Ca 0.04 1.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.94 1dp0 s PRO 168 Cb -0.02 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1dp0 s PRO 168 CO -0.01 -0.16 -0.11 -1.12 0.04 0.00 0.00 177.00 175.64 1dp0 s SER 169 N -0.99 3.83 -0.02 6.66 0.01 -0.37 -4.96 113.70 117.85 1dp0 s SER 169 Ca 0.53 -0.47 0.07 0.00 1.31 0.00 0.00 55.95 57.38 1dp0 s SER 169 Cb -0.32 -1.62 -0.02 0.00 0.21 0.00 0.00 66.02 64.27 1dp0 s SER 169 CO 0.41 0.02 -0.24 -1.61 0.41 0.00 0.00 173.24 172.23 1dp0 s GLU 170 N 1.21 2.17 0.02 12.44 2.02 -1.26 -1.23 118.70 134.07 1dp0 s GLU 170 Ca 0.02 -0.89 0.04 0.00 0.02 0.00 0.00 54.97 54.16 1dp0 s GLU 170 Cb -0.14 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 31.96 1dp0 s GLU 170 CO -0.05 0.57 -0.13 -0.06 0.02 0.00 0.00 175.26 175.61 1dp0 s PHE 171 N -0.65 1.15 -0.34 1.61 0.40 -0.69 -0.46 117.98 119.00 1dp0 s PHE 171 Ca 0.10 -0.30 -0.29 0.00 -0.60 0.00 0.00 56.93 55.84 1dp0 s PHE 171 Cb -0.10 -0.70 0.02 0.00 0.51 0.00 0.00 43.02 42.74 1dp0 s PHE 171 CO -0.00 0.01 1.09 0.34 0.70 0.00 0.00 175.22 177.36 1dp0 s ASP 172 N -0.83 6.88 0.00 1.36 -1.08 -1.26 -0.82 116.67 120.92 1dp0 s ASP 172 Ca 0.02 0.98 0.22 0.00 -0.52 0.00 0.00 52.55 53.25 1dp0 s ASP 172 Cb -0.07 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.38 1dp0 s ASP 172 CO 0.01 -0.94 1.45 0.18 0.52 0.00 0.00 175.17 176.39 1dp0 n LEU 173 N 7.03 3.67 -0.28 -1.34 4.77 0.16 -4.65 117.00 126.36 1dp0 n LEU 173 Ca 0.12 -1.80 0.10 0.00 -0.03 0.00 0.00 56.01 54.40 1dp0 n LEU 173 Cb 0.47 -0.38 0.25 0.00 -2.33 0.00 0.00 43.42 41.44 1dp0 n LEU 173 CO 0.61 0.87 0.94 0.28 -1.33 0.00 0.00 177.39 178.76 1dp0 h SER 174 N 4.14 -0.00 -0.15 -1.43 0.02 -1.80 0.20 113.55 114.53 1dp0 h SER 174 Ca 0.00 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1dp0 h SER 174 Cb 0.96 0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1dp0 h SER 174 CO 0.00 -0.11 0.00 0.00 -1.14 0.00 0.00 176.83 175.58 1dp0 n ALA 175 N -2.70 2.53 0.26 3.77 0.00 -1.26 -3.88 120.51 119.22 1dp0 n ALA 175 Ca 0.19 -0.49 0.03 0.00 0.00 0.00 0.00 53.44 53.17 1dp0 n ALA 175 Cb 0.60 -1.10 -0.04 0.00 0.00 0.00 0.00 19.45 18.92 1dp0 n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1dp0 n PHE 176 N 0.23 0.00 -3.18 0.00 3.01 0.67 -5.04 117.46 113.15 1dp0 n PHE 176 Ca 0.16 0.00 -0.18 0.00 1.01 0.00 0.00 57.45 58.44 1dp0 n PHE 176 Cb 0.31 -0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 39.76 1dp0 n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1dp0 s LEU 177 N -2.37 3.60 0.04 4.37 1.43 -0.93 -4.70 118.68 120.12 1dp0 s LEU 177 Ca 0.02 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.60 1dp0 s LEU 177 Cb 0.04 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 1dp0 s LEU 177 CO 0.25 -0.72 0.01 0.00 0.23 0.00 0.00 176.35 176.12 1dp0 s ARG 178 N -4.28 0.54 0.44 1.70 1.70 -1.26 -5.04 118.95 112.75 1dp0 s ARG 178 Ca 0.53 -0.94 -0.26 0.00 -0.47 0.00 0.00 55.73 54.59 1dp0 s ARG 178 Cb -0.08 0.20 -0.09 0.00 -0.57 0.00 0.00 34.95 34.41 1dp0 s ARG 178 CO 0.32 -0.11 1.42 0.00 -1.08 0.00 0.00 175.30 175.84 1dp0 n ALA 179 N 0.64 1.98 0.00 7.88 0.00 -1.26 -4.57 120.51 125.17 1dp0 n ALA 179 Ca -0.18 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1dp0 n ALA 179 Cb 0.59 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1dp0 n ALA 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dp0 n GLY 180 N 0.60 0.35 3.77 0.00 0.00 -0.26 -4.90 105.19 104.73 1dp0 n GLY 180 Ca 0.05 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 1dp0 n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dp0 s GLU 181 N 0.00 4.38 0.05 1.61 0.41 -1.26 -0.45 118.70 123.44 1dp0 s GLU 181 Ca 0.00 1.89 -0.01 0.00 -0.41 0.00 0.00 54.97 56.44 1dp0 s GLU 181 Cb 0.00 -2.97 -0.04 0.00 -1.78 0.00 0.00 34.13 29.34 1dp0 s GLU 181 CO 0.00 -0.06 -0.03 -0.80 -0.49 0.00 0.00 175.26 173.89 1dp0 s ASN 182 N -0.90 0.48 -0.06 -0.19 0.01 0.68 -4.84 114.94 110.13 1dp0 s ASN 182 Ca 0.50 -0.99 0.01 0.00 -0.71 0.00 0.00 52.86 51.67 1dp0 s ASN 182 Cb -0.33 0.20 0.02 0.00 0.41 0.00 0.00 41.25 41.55 1dp0 s ASN 182 CO 0.42 -0.60 -0.09 -0.60 -1.51 0.00 0.00 177.10 174.73 1dp0 s ARG 183 N -3.88 1.35 0.05 -0.60 3.52 -1.26 -0.15 118.95 117.98 1dp0 s ARG 183 Ca 0.07 -0.28 -0.00 0.00 -0.13 0.00 0.00 55.73 55.39 1dp0 s ARG 183 Cb 0.08 -1.21 -0.04 0.00 -1.56 0.00 0.00 34.95 32.22 1dp0 s ARG 183 CO -0.10 -0.05 0.19 -0.51 -0.81 0.00 0.00 175.30 174.02 1dp0 s LEU 184 N 0.88 4.28 -0.04 -0.88 1.43 -0.40 -0.00 118.68 123.95 1dp0 s LEU 184 Ca -0.11 0.25 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1dp0 s LEU 184 Cb -0.15 -2.83 0.03 0.00 0.03 0.00 0.00 46.19 43.27 1dp0 s LEU 184 CO 0.01 0.19 -0.01 0.00 0.23 0.00 0.00 176.35 176.77 1dp0 s ALA 185 N -1.46 0.52 -0.12 4.21 0.00 -0.35 -2.24 121.76 122.33 1dp0 s ALA 185 Ca 0.33 0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.32 1dp0 s ALA 185 Cb -0.13 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.55 1dp0 s ALA 185 CO 0.25 -0.15 -0.13 0.08 0.00 0.00 0.00 175.76 175.81 1dp0 s VAL 186 N 1.23 1.37 -0.31 0.00 1.01 0.75 -0.58 120.40 123.88 1dp0 s VAL 186 Ca -0.06 -0.54 -0.10 0.00 0.00 0.00 0.00 61.98 61.28 1dp0 s VAL 186 Cb -0.13 -1.29 -0.01 0.00 0.00 0.00 0.00 36.38 34.94 1dp0 s VAL 186 CO -0.02 0.42 0.15 -0.32 0.00 0.00 0.00 175.10 175.34 1dp0 s MET 187 N 1.29 3.35 -0.20 2.72 1.75 -0.17 -0.82 119.30 127.22 1dp0 s MET 187 Ca -0.01 -0.71 -0.06 0.00 -1.25 0.00 0.00 55.69 53.67 1dp0 s MET 187 Cb -0.14 -3.57 -0.03 0.00 2.84 0.00 0.00 34.83 33.94 1dp0 s MET 187 CO -0.06 -0.41 0.01 0.08 -0.65 0.00 0.00 175.02 174.00 1dp0 s VAL 188 N 1.62 4.12 -0.10 10.11 1.01 0.20 -1.82 120.40 135.54 1dp0 s VAL 188 Ca 0.05 -0.26 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 1dp0 s VAL 188 Cb -0.17 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1dp0 s VAL 188 CO 0.06 0.43 0.35 -0.76 0.00 0.00 0.00 175.10 175.18 1dp0 s LEU 189 N 0.92 4.34 0.09 3.92 1.43 -0.04 -0.95 118.68 128.38 1dp0 s LEU 189 Ca 0.02 0.71 -0.17 0.00 -1.03 0.00 0.00 54.13 53.65 1dp0 s LEU 189 Cb -0.14 -2.47 -0.08 0.00 0.03 0.00 0.00 46.19 43.53 1dp0 s LEU 189 CO 0.02 0.18 1.47 -0.09 0.23 0.00 0.00 176.35 178.16 1dp0 h ARG 190 N 5.90 0.57 -6.64 1.70 2.43 -1.39 -0.77 114.38 116.17 1dp0 h ARG 190 Ca -0.46 -0.23 -0.69 0.00 -0.81 0.00 0.00 59.98 57.79 1dp0 h ARG 190 Cb 1.19 -0.02 -0.24 0.00 -0.42 0.00 0.00 29.97 30.48 1dp0 h ARG 190 CO 0.69 0.79 -0.83 -1.58 -1.51 0.00 0.00 179.97 177.53 1dp0 s TRP 191 N -4.68 2.47 0.34 2.20 0.52 -1.26 -3.86 118.94 114.67 1dp0 s TRP 191 Ca -0.13 -0.32 -0.14 0.00 0.02 0.00 0.00 56.10 55.53 1dp0 s TRP 191 Cb 0.08 -1.44 0.03 0.00 -1.15 0.00 0.00 33.47 31.00 1dp0 s TRP 191 CO 0.78 0.21 0.68 -1.54 0.02 0.00 0.00 176.95 177.10 1dp0 s SER 192 N -1.36 0.10 0.60 2.95 1.04 -1.26 -4.91 113.70 110.85 1dp0 s SER 192 Ca 0.13 -1.07 0.39 0.00 0.48 0.00 0.00 55.95 55.89 1dp0 s SER 192 Cb -0.10 0.76 1.99 0.00 0.10 0.00 0.00 66.02 68.77 1dp0 s SER 192 CO 0.04 -1.48 2.19 -2.24 0.98 0.00 0.00 173.24 172.72 1dp0 h ASP 193 N 2.05 0.00 0.78 7.02 3.04 -1.07 0.30 116.42 128.53 1dp0 h ASP 193 Ca -0.28 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.49 1dp0 h ASP 193 Cb 1.25 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.54 1dp0 h ASP 193 CO 0.36 0.00 -0.08 1.23 -2.04 0.00 0.00 179.24 178.71 1dp0 h GLY 194 N 0.66 0.00 2.00 7.15 0.00 -1.90 -2.15 103.07 108.82 1dp0 h GLY 194 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1dp0 h GLY 194 CO 0.00 0.00 -0.10 1.76 0.00 0.00 0.00 176.54 178.20 1dp0 h SER 195 N 0.00 0.00 0.64 0.19 0.02 -0.75 -0.80 113.55 112.85 1dp0 h SER 195 Ca -0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1dp0 h SER 195 Cb 0.48 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.02 1dp0 h SER 195 CO 0.01 0.10 -0.06 1.88 -1.14 0.00 0.00 176.83 177.62 1dp0 h TYR 196 N 0.00 0.00 -0.55 3.45 -1.99 -1.51 -1.68 116.97 114.69 1dp0 h TYR 196 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1dp0 h TYR 196 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.05 1dp0 h TYR 196 CO 0.00 0.06 0.00 1.28 -0.00 0.00 0.00 178.16 179.50 1dp0 n LEU 197 N -3.27 3.72 -2.55 3.88 4.77 -0.32 -4.46 117.00 118.77 1dp0 n LEU 197 Ca -0.01 -1.72 -0.22 0.00 -0.03 0.00 0.00 56.01 54.03 1dp0 n LEU 197 Cb 0.26 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.00 1dp0 n LEU 197 CO 0.27 0.86 0.10 -0.62 -1.33 0.00 0.00 177.39 176.68 1dp0 n GLU 198 N 1.59 2.78 -1.01 3.23 1.02 -0.63 -1.02 120.64 126.59 1dp0 n GLU 198 Ca 0.22 -4.16 -0.22 0.00 -0.02 0.00 0.00 57.16 52.98 1dp0 n GLU 198 Cb 0.62 -1.97 0.08 0.00 -0.02 0.00 0.00 31.44 30.15 1dp0 n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1dp0 n ASP 199 N -0.35 5.83 -4.75 1.62 2.03 -0.41 -4.98 116.55 115.53 1dp0 n ASP 199 Ca 0.30 -3.30 -0.35 0.00 0.52 0.00 0.00 54.79 51.96 1dp0 n ASP 199 Cb 0.70 -0.93 0.04 0.00 -0.72 0.00 0.00 41.12 40.21 1dp0 n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1dp0 s GLN 200 N -2.58 2.88 -1.09 -0.67 1.11 -1.26 -4.58 119.66 113.47 1dp0 s GLN 200 Ca 0.44 1.72 -0.23 0.00 0.01 0.00 0.00 55.36 57.30 1dp0 s GLN 200 Cb 0.35 -1.93 -0.03 0.00 -1.01 0.00 0.00 33.01 30.39 1dp0 s GLN 200 CO 0.02 -1.25 1.85 0.34 0.01 0.00 0.00 175.29 176.26 1dp0 s ASP 201 N -1.84 5.52 0.13 5.90 2.15 -1.26 -4.83 116.67 122.44 1dp0 s ASP 201 Ca 0.75 -1.42 -0.26 0.00 0.43 0.00 0.00 52.55 52.05 1dp0 s ASP 201 Cb -0.28 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 39.84 1dp0 s ASP 201 CO 0.35 -2.49 1.01 0.00 -0.17 0.00 0.00 175.17 173.87 1dp0 s MET 202 N 6.14 1.09 0.45 4.34 0.23 -1.26 -5.02 119.30 125.27 1dp0 s MET 202 Ca 0.64 -0.61 -0.25 0.00 -1.03 0.00 0.00 55.69 54.44 1dp0 s MET 202 Cb -0.02 0.37 -0.08 0.00 -1.53 0.00 0.00 34.83 33.57 1dp0 s MET 202 CO 0.05 -0.50 1.40 -1.58 -2.03 0.00 0.00 175.02 172.36 1dp0 s TRP 203 N -3.11 2.51 -0.42 3.16 0.52 -1.26 -4.31 118.94 116.02 1dp0 s TRP 203 Ca 0.13 1.30 -0.16 0.00 0.02 0.00 0.00 56.10 57.39 1dp0 s TRP 203 Cb -0.00 -3.86 0.03 0.00 -1.15 0.00 0.00 33.47 28.48 1dp0 s TRP 203 CO 0.02 -2.77 0.35 1.03 0.02 0.00 0.00 176.95 175.60 1dp0 s ARG 204 N -2.46 3.00 0.00 4.98 1.81 0.62 -4.94 118.95 121.96 1dp0 s ARG 204 Ca 0.61 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 1dp0 s ARG 204 Cb -0.42 -4.00 0.00 0.00 -0.45 0.00 0.00 34.95 30.08 1dp0 s ARG 204 CO 0.54 -0.82 0.00 -1.33 -0.68 0.00 0.00 175.30 173.01 1dp0 n MET 205 N 5.29 1.51 -3.77 3.54 2.81 -1.26 -2.63 117.12 122.61 1dp0 n MET 205 Ca -0.10 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 55.75 1dp0 n MET 205 Cb 0.47 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.96 1dp0 n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1dp0 s SER 206 N -0.83 -0.17 0.00 7.83 1.04 -1.26 -4.82 113.70 115.49 1dp0 s SER 206 Ca 0.00 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1dp0 s SER 206 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1dp0 s SER 206 CO 0.00 -0.95 0.00 0.61 0.98 0.00 0.00 173.24 173.88 1dp0 n GLY 207 N -0.48 0.73 3.37 7.32 0.00 -0.32 -1.86 105.19 113.95 1dp0 n GLY 207 Ca -0.06 -2.15 -0.46 0.00 0.00 0.00 0.00 46.02 43.35 1dp0 n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1dp0 s ILE 208 N -0.92 5.40 -2.45 -0.61 1.01 -1.19 -0.67 121.20 121.77 1dp0 s ILE 208 Ca 0.00 -2.36 0.21 0.00 0.00 0.00 0.00 60.65 58.49 1dp0 s ILE 208 Cb 0.00 -4.59 0.13 0.00 0.01 0.00 0.00 42.46 38.01 1dp0 s ILE 208 CO 0.00 -1.21 1.13 2.22 0.00 0.00 0.00 174.94 177.08 1dp0 n PHE 209 N 4.59 0.00 -4.57 3.97 1.16 -0.73 -1.08 117.46 120.80 1dp0 n PHE 209 Ca 0.19 0.00 -0.26 0.00 -1.87 0.00 0.00 57.45 55.51 1dp0 n PHE 209 Cb 0.46 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.23 1dp0 n PHE 209 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 1dp0 s ARG 210 N -1.84 1.87 0.73 3.97 0.52 -1.11 -4.34 118.95 118.75 1dp0 s ARG 210 Ca 0.23 -2.07 -0.16 0.00 -0.52 0.00 0.00 55.73 53.21 1dp0 s ARG 210 Cb 0.17 -1.31 0.01 0.00 0.52 0.00 0.00 34.95 34.34 1dp0 s ARG 210 CO 0.31 -0.15 0.93 -0.25 0.02 0.00 0.00 175.30 176.16 1dp0 n ASP 211 N -0.91 0.29 -4.19 0.23 8.00 -1.26 -4.43 116.55 114.29 1dp0 n ASP 211 Ca -0.05 0.64 -0.27 0.00 0.71 0.00 0.00 54.79 55.82 1dp0 n ASP 211 Cb 0.67 -1.39 -0.16 0.00 -0.02 0.00 0.00 41.12 40.22 1dp0 n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1dp0 s VAL 212 N -1.87 1.61 0.19 2.53 1.01 -1.26 -0.85 120.40 121.77 1dp0 s VAL 212 Ca 0.72 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.79 1dp0 s VAL 212 Cb -0.34 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 1dp0 s VAL 212 CO 0.52 0.46 0.28 -0.94 0.00 0.00 0.00 175.10 175.41 1dp0 s SER 213 N -0.19 0.05 -0.05 3.32 1.04 0.11 -0.63 113.70 117.36 1dp0 s SER 213 Ca 0.00 -1.04 0.04 0.00 0.48 0.00 0.00 55.95 55.44 1dp0 s SER 213 Cb -0.11 0.45 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 1dp0 s SER 213 CO 0.01 -0.93 -0.18 -0.22 0.98 0.00 0.00 173.24 172.91 1dp0 s LEU 214 N -3.03 1.90 -0.06 2.42 2.96 0.71 -0.34 118.68 123.23 1dp0 s LEU 214 Ca 0.24 -0.38 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1dp0 s LEU 214 Cb 0.03 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.71 1dp0 s LEU 214 CO 0.05 0.14 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.86 1dp0 s LEU 215 N 0.16 1.77 -0.18 -0.68 2.96 -0.26 -1.11 118.68 121.34 1dp0 s LEU 215 Ca -0.07 -0.33 -0.07 0.00 -0.22 0.00 0.00 54.13 53.44 1dp0 s LEU 215 Cb -0.13 -0.90 -0.04 0.00 0.50 0.00 0.00 46.19 45.62 1dp0 s LEU 215 CO 0.03 0.08 0.05 -2.28 -1.32 0.00 0.00 176.35 172.91 1dp0 s HIS 216 N 0.44 3.22 0.12 5.38 5.65 -0.04 -1.33 115.29 128.73 1dp0 s HIS 216 Ca -0.11 0.03 0.08 0.00 0.25 0.00 0.00 55.06 55.31 1dp0 s HIS 216 Cb -0.14 -2.06 -0.04 0.00 -1.18 0.00 0.00 32.58 29.16 1dp0 s HIS 216 CO 0.04 0.14 -0.19 0.15 -0.65 0.00 0.00 174.74 174.23 1dp0 s LYS 217 N 0.32 1.13 0.75 2.88 -0.14 0.13 -4.73 119.74 120.08 1dp0 s LYS 217 Ca 0.02 -1.21 -0.11 0.00 -1.36 0.00 0.00 55.97 53.31 1dp0 s LYS 217 Cb -0.13 -1.30 0.04 0.00 -1.68 0.00 0.00 37.83 34.77 1dp0 s LYS 217 CO 0.00 0.29 1.08 -2.14 -0.76 0.00 0.00 175.35 173.82 1dp0 s PRO 218 N -2.17 2.46 0.23 -1.68 0.02 -1.26 -0.18 135.00 132.41 1dp0 s PRO 218 Ca 0.08 0.90 -0.08 0.00 0.02 0.00 0.00 61.00 61.93 1dp0 s PRO 218 Cb -0.09 -1.94 0.22 0.00 0.02 0.00 0.00 34.50 32.72 1dp0 s PRO 218 CO 0.05 -1.42 1.91 1.15 -0.33 0.00 0.00 177.00 178.35 1dp0 h THR 219 N -0.96 1.23 -3.66 0.99 2.02 -1.92 -3.36 112.91 107.26 1dp0 h THR 219 Ca -0.45 -0.42 -0.62 0.00 0.77 0.00 0.00 66.41 65.69 1dp0 h THR 219 Cb 1.23 -0.10 -0.14 0.00 -1.74 0.00 0.00 68.15 67.41 1dp0 h THR 219 CO 0.56 0.22 -0.16 -0.89 0.37 0.00 0.00 175.52 175.63 1dp0 s THR 220 N -6.12 5.14 0.19 3.16 2.01 -1.26 -3.94 115.64 114.82 1dp0 s THR 220 Ca -0.13 0.69 -0.14 0.00 0.31 0.00 0.00 61.69 62.41 1dp0 s THR 220 Cb 0.17 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.95 1dp0 s THR 220 CO 0.80 0.14 0.45 0.00 -0.69 0.00 0.00 174.62 175.32 1dp0 s GLN 221 N 2.09 1.33 -0.16 4.92 -2.07 -0.28 -4.90 119.66 120.58 1dp0 s GLN 221 Ca 0.17 -0.99 -0.29 0.00 -1.82 0.00 0.00 55.36 52.43 1dp0 s GLN 221 Cb -0.16 0.47 -0.01 0.00 -1.09 0.00 0.00 33.01 32.23 1dp0 s GLN 221 CO 0.09 -0.54 1.18 0.42 -1.32 0.00 0.00 175.29 175.12 1dp0 s ILE 222 N -3.91 4.42 -0.46 3.63 1.01 -1.26 -1.47 121.20 123.16 1dp0 s ILE 222 Ca 0.13 1.72 0.16 0.00 0.00 0.00 0.00 60.65 62.65 1dp0 s ILE 222 Cb 0.00 -4.11 -0.20 0.00 0.01 0.00 0.00 42.46 38.16 1dp0 s ILE 222 CO -0.01 -0.12 0.55 -1.54 0.00 0.00 0.00 174.94 173.82 1dp0 n SER 223 N 6.23 0.95 -3.54 3.58 3.41 0.11 -4.90 113.62 119.47 1dp0 n SER 223 Ca 0.13 -0.53 -0.09 0.00 -0.26 0.00 0.00 58.87 58.12 1dp0 n SER 223 Cb 0.46 1.29 -0.03 0.00 -0.26 0.00 0.00 64.21 65.67 1dp0 n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dp0 s ASP 224 N -3.03 -0.34 -0.24 4.04 -1.08 -1.16 -4.87 116.67 109.97 1dp0 s ASP 224 Ca 0.01 0.14 -0.21 0.00 -0.52 0.00 0.00 52.55 51.97 1dp0 s ASP 224 Cb 0.11 0.33 0.06 0.00 -1.46 0.00 0.00 42.92 41.97 1dp0 s ASP 224 CO 0.66 -0.49 0.63 0.72 0.52 0.00 0.00 175.17 177.22 1dp0 s PHE 225 N -2.38 -0.74 -0.04 -5.34 -0.12 -1.26 -0.46 117.98 107.64 1dp0 s PHE 225 Ca 0.03 1.75 0.04 0.00 -0.05 0.00 0.00 56.93 58.70 1dp0 s PHE 225 Cb -0.01 0.29 -0.00 0.00 -0.63 0.00 0.00 43.02 42.67 1dp0 s PHE 225 CO -0.05 -0.36 -0.15 -1.01 -0.05 0.00 0.00 175.22 173.60 1dp0 s HIS 226 N 0.55 1.52 -0.13 3.49 3.76 -0.12 -4.82 115.29 119.54 1dp0 s HIS 226 Ca -0.02 -0.41 -0.00 0.00 -0.15 0.00 0.00 55.06 54.48 1dp0 s HIS 226 Cb -0.05 -1.03 -0.01 0.00 1.11 0.00 0.00 32.58 32.60 1dp0 s HIS 226 CO -0.02 -0.14 -0.13 0.08 -0.85 0.00 0.00 174.74 173.67 1dp0 s VAL 227 N 0.04 3.00 0.11 -0.90 1.01 -1.26 -0.87 120.40 121.53 1dp0 s VAL 227 Ca -0.03 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.35 1dp0 s VAL 227 Cb -0.10 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1dp0 s VAL 227 CO 0.02 0.52 -0.18 0.00 0.00 0.00 0.00 175.10 175.46 1dp0 s ALA 228 N 0.42 1.65 -0.09 5.51 0.00 0.09 -4.84 121.76 124.50 1dp0 s ALA 228 Ca -0.10 -1.24 -0.00 0.00 0.00 0.00 0.00 51.96 50.61 1dp0 s ALA 228 Cb -0.16 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1dp0 s ALA 228 CO 0.05 0.25 -0.06 0.95 0.00 0.00 0.00 175.76 176.95 1dp0 s THR 229 N -1.51 0.85 0.10 0.00 -4.23 -1.26 -1.23 115.64 108.36 1dp0 s THR 229 Ca 0.07 -0.21 0.10 0.00 -1.18 0.00 0.00 61.69 60.47 1dp0 s THR 229 Cb -0.08 -0.88 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 1dp0 s THR 229 CO 0.04 0.33 -0.26 0.00 -0.54 0.00 0.00 174.62 174.19 1dp0 s ARG 230 N 1.53 1.47 0.26 3.99 1.70 -0.74 -4.83 118.95 122.33 1dp0 s ARG 230 Ca 0.00 -1.25 0.06 0.00 -0.47 0.00 0.00 55.73 54.07 1dp0 s ARG 230 Cb -0.13 -1.85 -0.06 0.00 -0.57 0.00 0.00 34.95 32.35 1dp0 s ARG 230 CO -0.05 0.45 -0.04 -0.06 -1.08 0.00 0.00 175.30 174.52 1dp0 s PHE 231 N -1.00 1.82 0.72 5.89 0.40 -1.26 -1.04 117.98 123.51 1dp0 s PHE 231 Ca 0.12 -0.77 -0.09 0.00 -0.60 0.00 0.00 56.93 55.60 1dp0 s PHE 231 Cb -0.10 -1.04 0.16 0.00 0.51 0.00 0.00 43.02 42.55 1dp0 s PHE 231 CO 0.05 0.18 0.98 0.27 0.70 0.00 0.00 175.22 177.39 1dp0 n ASN 232 N -0.53 0.46 0.09 1.36 6.94 -0.78 -4.94 115.26 117.87 1dp0 n ASN 232 Ca -0.05 -1.59 0.03 0.00 -0.02 0.00 0.00 54.58 52.95 1dp0 n ASN 232 Cb 0.63 -0.71 0.41 0.00 -2.36 0.00 0.00 39.78 37.75 1dp0 n ASN 232 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 1dp0 h ASP 233 N -1.07 0.29 -0.39 0.53 3.04 -2.01 -2.35 116.42 114.46 1dp0 h ASP 233 Ca -0.32 -0.04 0.00 0.00 -3.24 0.00 0.00 57.03 53.43 1dp0 h ASP 233 Cb 0.97 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 39.19 1dp0 h ASP 233 CO 0.26 0.36 0.00 -0.90 -2.04 0.00 0.00 179.24 176.92 1dp0 n ASP 234 N -4.35 3.13 -0.66 4.15 5.75 -1.26 -4.96 116.55 118.36 1dp0 n ASP 234 Ca 0.00 -1.92 -0.09 0.00 -0.01 0.00 0.00 54.79 52.77 1dp0 n ASP 234 Cb 0.20 -0.26 -0.04 0.00 -1.03 0.00 0.00 41.12 39.99 1dp0 n ASP 234 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1dp0 n PHE 235 N 0.99 0.00 0.98 2.11 3.01 -0.89 -4.89 117.46 118.78 1dp0 n PHE 235 Ca 0.15 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.73 1dp0 n PHE 235 Cb 0.49 -1.74 0.15 0.00 -0.01 0.00 0.00 39.48 38.37 1dp0 n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1dp0 n SER 236 N 0.48 0.63 -3.94 4.37 3.41 -1.26 -4.60 113.62 112.71 1dp0 n SER 236 Ca -0.09 -0.43 -0.15 0.00 -0.26 0.00 0.00 58.87 57.95 1dp0 n SER 236 Cb 0.29 0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 64.55 1dp0 n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1dp0 s ARG 237 N -3.01 0.32 0.14 4.33 0.52 -1.26 0.51 118.95 120.50 1dp0 s ARG 237 Ca 0.10 -0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.15 1dp0 s ARG 237 Cb 0.17 -0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.31 1dp0 s ARG 237 CO 0.74 0.08 -0.02 0.00 0.02 0.00 0.00 175.30 176.12 1dp0 s ALA 238 N -0.19 1.16 -0.10 2.13 0.00 -0.40 -1.86 121.76 122.48 1dp0 s ALA 238 Ca 0.00 -1.48 0.02 0.00 0.00 0.00 0.00 51.96 50.50 1dp0 s ALA 238 Cb -0.02 0.40 0.01 0.00 0.00 0.00 0.00 23.12 23.51 1dp0 s ALA 238 CO -0.00 -0.29 -0.15 0.08 0.00 0.00 0.00 175.76 175.40 1dp0 s VAL 239 N -3.66 1.45 -0.21 0.00 1.01 -0.21 -0.81 120.40 117.97 1dp0 s VAL 239 Ca 0.19 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.38 1dp0 s VAL 239 Cb 0.06 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.07 1dp0 s VAL 239 CO 0.00 0.43 0.45 -0.22 0.00 0.00 0.00 175.10 175.76 1dp0 s LEU 240 N 0.98 4.14 -0.20 3.92 0.20 0.40 -1.80 118.68 126.32 1dp0 s LEU 240 Ca -0.07 0.57 -0.01 0.00 0.69 0.00 0.00 54.13 55.31 1dp0 s LEU 240 Cb -0.15 -2.60 0.01 0.00 -0.43 0.00 0.00 46.19 43.02 1dp0 s LEU 240 CO -0.01 -0.14 -0.13 -0.70 -0.29 0.00 0.00 176.35 175.08 1dp0 s GLU 241 N 1.56 3.16 -0.23 1.98 2.12 -0.36 0.02 118.70 126.95 1dp0 s GLU 241 Ca 0.21 -0.74 0.02 0.00 0.36 0.00 0.00 54.97 54.82 1dp0 s GLU 241 Cb -0.15 -2.77 0.05 0.00 0.26 0.00 0.00 34.13 31.52 1dp0 s GLU 241 CO 0.09 -0.21 -0.12 0.00 -0.54 0.00 0.00 175.26 174.48 1dp0 s ALA 242 N 1.37 2.33 -0.18 6.30 0.00 0.02 -0.73 121.76 130.87 1dp0 s ALA 242 Ca 0.05 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.38 1dp0 s ALA 242 Cb -0.14 -1.42 -0.04 0.00 0.00 0.00 0.00 23.12 21.52 1dp0 s ALA 242 CO -0.09 -0.95 0.32 -2.00 0.00 0.00 0.00 175.76 173.05 1dp0 s GLU 243 N 1.23 4.21 -0.08 0.00 2.12 -0.05 -1.06 118.70 125.07 1dp0 s GLU 243 Ca -0.04 0.11 0.05 0.00 0.36 0.00 0.00 54.97 55.44 1dp0 s GLU 243 Cb -0.18 -3.48 -0.00 0.00 0.26 0.00 0.00 34.13 30.73 1dp0 s GLU 243 CO -0.07 0.11 -0.24 0.08 -0.54 0.00 0.00 175.26 174.59 1dp0 s VAL 244 N 0.86 2.06 0.09 3.70 1.01 0.45 -0.94 120.40 127.63 1dp0 s VAL 244 Ca 0.17 -1.04 0.09 0.00 0.00 0.00 0.00 61.98 61.20 1dp0 s VAL 244 Cb -0.14 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.44 1dp0 s VAL 244 CO 0.06 0.56 -0.19 -1.10 0.00 0.00 0.00 175.10 174.43 1dp0 s GLN 245 N 0.15 1.83 0.24 2.72 -0.21 0.39 -1.26 119.66 123.52 1dp0 s GLN 245 Ca -0.13 -1.14 0.09 0.00 0.02 0.00 0.00 55.36 54.20 1dp0 s GLN 245 Cb -0.16 -2.11 -0.05 0.00 1.00 0.00 0.00 33.01 31.69 1dp0 s GLN 245 CO 0.07 0.50 -0.15 0.00 -2.12 0.00 0.00 175.29 173.58 1dp0 s MET 246 N -1.90 1.46 0.19 2.91 0.23 -0.77 0.06 119.30 121.48 1dp0 s MET 246 Ca 0.16 -1.67 0.10 0.00 -1.03 0.00 0.00 55.69 53.26 1dp0 s MET 246 Cb -0.10 -1.33 -0.04 0.00 -1.53 0.00 0.00 34.83 31.82 1dp0 s MET 246 CO 0.08 0.22 -0.21 0.00 -2.03 0.00 0.00 175.02 173.08 1dp0 n GLY 248 N 0.21 -0.57 3.65 0.00 0.00 -1.25 -1.12 105.19 106.10 1dp0 n GLY 248 Ca -0.12 -2.20 -0.40 0.00 0.00 0.00 0.00 46.02 43.30 1dp0 n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dp0 s GLU 249 N 0.00 4.18 0.29 1.61 2.12 -1.26 -4.99 118.70 120.64 1dp0 s GLU 249 Ca 0.00 0.64 -0.29 0.00 0.36 0.00 0.00 54.97 55.68 1dp0 s GLU 249 Cb 0.00 -3.61 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 1dp0 s GLU 249 CO 0.00 -0.33 1.32 -0.51 -0.54 0.00 0.00 175.26 175.19 1dp0 s LEU 250 N 2.22 4.43 -0.02 2.70 1.43 -1.26 -5.00 118.68 123.18 1dp0 s LEU 250 Ca 0.29 2.61 -0.05 0.00 -1.03 0.00 0.00 54.13 55.95 1dp0 s LEU 250 Cb -0.16 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.43 1dp0 s LEU 250 CO 0.09 -0.54 0.12 -0.13 0.23 0.00 0.00 176.35 176.13 1dp0 s ARG 251 N -1.27 0.32 0.63 1.70 1.81 -1.26 -5.00 118.95 115.87 1dp0 s ARG 251 Ca 0.52 -0.16 0.37 0.00 -1.72 0.00 0.00 55.73 54.73 1dp0 s ARG 251 Cb -0.39 0.13 2.11 0.00 -0.45 0.00 0.00 34.95 36.36 1dp0 s ARG 251 CO 0.48 -0.06 2.31 -0.44 -0.68 0.00 0.00 175.30 176.91 1dp0 h ASP 252 N 5.06 0.00 0.07 0.23 3.32 -2.00 -1.30 116.42 121.80 1dp0 h ASP 252 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1dp0 h ASP 252 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1dp0 h ASP 252 CO 0.41 0.00 -0.02 0.00 -1.72 0.00 0.00 179.24 177.91 1dp0 n TYR 253 N -3.49 0.00 -2.53 4.55 0.18 -1.26 -4.85 117.16 109.76 1dp0 n TYR 253 Ca -0.03 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.41 1dp0 n TYR 253 Cb 0.08 -0.04 -0.03 0.00 -0.38 0.00 0.00 39.34 38.97 1dp0 n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1dp0 s LEU 254 N -2.10 3.83 0.07 -3.48 1.43 -0.49 -0.32 118.68 117.61 1dp0 s LEU 254 Ca 0.41 1.91 -0.05 0.00 -1.03 0.00 0.00 54.13 55.36 1dp0 s LEU 254 Cb 0.21 -4.56 -0.02 0.00 0.03 0.00 0.00 46.19 41.86 1dp0 s LEU 254 CO 0.38 -0.79 0.10 -0.13 0.23 0.00 0.00 176.35 176.14 1dp0 s ARG 255 N -3.28 0.72 -0.07 1.70 1.81 0.71 -4.09 118.95 116.45 1dp0 s ARG 255 Ca 0.67 -1.02 0.05 0.00 -1.72 0.00 0.00 55.73 53.71 1dp0 s ARG 255 Cb -0.16 0.28 -0.00 0.00 -0.45 0.00 0.00 34.95 34.61 1dp0 s ARG 255 CO 0.21 -0.19 -0.23 0.08 -0.68 0.00 0.00 175.30 174.49 1dp0 s VAL 256 N -3.69 1.90 -0.12 3.52 1.01 0.17 -0.98 120.40 122.21 1dp0 s VAL 256 Ca 0.04 -0.96 0.02 0.00 0.00 0.00 0.00 61.98 61.09 1dp0 s VAL 256 Cb 0.05 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 1dp0 s VAL 256 CO -0.10 0.53 -0.20 -0.89 0.00 0.00 0.00 175.10 174.45 1dp0 s THR 257 N 0.08 2.44 -0.17 3.92 2.01 0.14 -1.40 115.64 122.66 1dp0 s THR 257 Ca -0.09 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 1dp0 s THR 257 Cb -0.15 -1.98 -0.00 0.00 0.01 0.00 0.00 72.50 70.38 1dp0 s THR 257 CO 0.05 0.54 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.70 1dp0 s VAL 258 N 0.40 2.77 0.11 3.82 1.01 -0.37 -0.48 120.40 127.66 1dp0 s VAL 258 Ca -0.15 -0.72 0.11 0.00 0.00 0.00 0.00 61.98 61.22 1dp0 s VAL 258 Cb -0.17 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1dp0 s VAL 258 CO 0.07 0.50 -0.27 -0.94 0.00 0.00 0.00 175.10 174.46 1dp0 s SER 259 N 1.01 3.28 -0.06 3.32 1.04 -0.75 -1.56 113.70 119.99 1dp0 s SER 259 Ca -0.01 -0.71 0.05 0.00 0.48 0.00 0.00 55.95 55.76 1dp0 s SER 259 Cb -0.15 -0.24 -0.01 0.00 0.10 0.00 0.00 66.02 65.73 1dp0 s SER 259 CO -0.03 0.20 -0.21 -0.22 0.98 0.00 0.00 173.24 173.96 1dp0 s LEU 260 N -1.83 2.00 0.07 2.42 2.96 0.06 -1.21 118.68 123.14 1dp0 s LEU 260 Ca 0.13 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 1dp0 s LEU 260 Cb -0.10 -1.21 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 1dp0 s LEU 260 CO 0.05 0.19 -0.20 0.26 -1.32 0.00 0.00 176.35 175.33 1dp0 s TRP 261 N 0.02 1.72 -0.29 5.38 0.52 -0.09 -0.85 118.94 125.35 1dp0 s TRP 261 Ca -0.06 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.68 1dp0 s TRP 261 Cb -0.14 -0.98 0.08 0.00 -1.15 0.00 0.00 33.47 31.29 1dp0 s TRP 261 CO 0.04 0.14 -0.00 -1.14 0.02 0.00 0.00 176.95 176.01 1dp0 s GLN 262 N -1.58 1.54 7.51 4.98 0.74 0.46 -1.24 119.66 132.07 1dp0 s GLN 262 Ca 0.06 -1.39 0.00 0.00 0.05 0.00 0.00 55.36 54.08 1dp0 s GLN 262 Cb -0.09 -2.77 0.00 0.00 1.10 0.00 0.00 33.01 31.24 1dp0 s GLN 262 CO 0.03 -0.78 0.00 0.41 -0.55 0.00 0.00 175.29 174.40 1dp0 n GLY 263 N 4.50 2.81 0.74 2.59 0.00 -1.26 -1.93 105.19 112.64 1dp0 n GLY 263 Ca -0.05 -0.24 0.11 0.00 0.00 0.00 0.00 46.02 45.84 1dp0 n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dp0 n GLU 264 N 13.50 1.98 -3.64 1.61 1.02 -1.26 -4.86 120.64 128.99 1dp0 n GLU 264 Ca 0.00 -1.47 -0.36 0.00 -0.02 0.00 0.00 57.16 55.31 1dp0 n GLU 264 Cb 0.00 -1.44 -0.08 0.00 -0.02 0.00 0.00 31.44 29.91 1dp0 n GLU 264 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1dp0 s THR 265 N -1.74 5.36 -0.14 2.62 2.01 -0.81 -5.07 115.64 117.87 1dp0 s THR 265 Ca 0.34 0.35 -0.24 0.00 0.31 0.00 0.00 61.69 62.45 1dp0 s THR 265 Cb 0.19 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.14 1dp0 s THR 265 CO 0.28 0.41 0.77 -1.58 -0.69 0.00 0.00 174.62 173.81 1dp0 s GLN 266 N 0.43 4.33 -0.14 4.92 0.74 -1.26 -0.41 119.66 128.27 1dp0 s GLN 266 Ca 0.12 0.92 -0.00 0.00 0.05 0.00 0.00 55.36 56.45 1dp0 s GLN 266 Cb -0.12 -3.53 -0.24 0.00 1.10 0.00 0.00 33.01 30.22 1dp0 s GLN 266 CO 0.01 -0.19 0.28 0.28 -0.55 0.00 0.00 175.29 175.12 1dp0 n VAL 267 N 4.42 1.67 -3.67 1.34 0.31 -0.03 -4.94 118.33 117.43 1dp0 n VAL 267 Ca 0.02 -0.68 -0.06 0.00 -0.01 0.00 0.00 64.34 63.61 1dp0 n VAL 267 Cb 0.50 -1.48 -0.02 0.00 -0.91 0.00 0.00 33.84 31.93 1dp0 n VAL 267 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1dp0 s ALA 268 N -2.55 -1.64 -0.12 3.52 0.00 -1.12 -4.99 121.76 114.84 1dp0 s ALA 268 Ca -0.21 0.34 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 1dp0 s ALA 268 Cb 0.07 0.63 0.09 0.00 0.00 0.00 0.00 23.12 23.90 1dp0 s ALA 268 CO 0.75 -0.93 0.78 0.45 0.00 0.00 0.00 175.76 176.81 1dp0 s SER 269 N -2.80 -0.60 -0.05 0.00 0.15 -1.26 -0.76 113.70 108.38 1dp0 s SER 269 Ca 0.09 0.78 -0.12 0.00 0.70 0.00 0.00 55.95 57.40 1dp0 s SER 269 Cb -0.02 0.66 0.02 0.00 -1.71 0.00 0.00 66.02 64.98 1dp0 s SER 269 CO -0.01 -0.47 0.29 -0.83 1.20 0.00 0.00 173.24 173.42 1dp0 s GLY 270 N -0.82 -0.15 0.02 9.45 0.00 -0.60 -4.99 107.32 110.23 1dp0 s GLY 270 Ca -0.06 0.45 0.04 0.00 0.00 0.00 0.00 44.72 45.15 1dp0 s GLY 270 CO 0.06 0.28 -0.12 -1.59 0.00 0.00 0.00 173.10 171.73 1dp0 s THR 271 N -0.82 0.95 0.02 0.90 2.01 -1.26 -1.24 115.64 116.20 1dp0 s THR 271 Ca -0.09 -0.81 -0.22 0.00 0.31 0.00 0.00 61.69 60.88 1dp0 s THR 271 Cb -0.04 -0.86 0.05 0.00 0.01 0.00 0.00 72.50 71.66 1dp0 s THR 271 CO 0.03 0.05 0.51 0.00 -0.69 0.00 0.00 174.62 174.51 1dp0 s ALA 272 N -0.68 -1.29 0.72 7.40 0.00 -0.49 -4.99 121.76 122.42 1dp0 s ALA 272 Ca 0.01 0.64 -0.11 0.00 0.00 0.00 0.00 51.96 52.51 1dp0 s ALA 272 Cb -0.07 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.36 1dp0 s ALA 272 CO 0.01 -0.45 1.09 -1.25 0.00 0.00 0.00 175.76 175.16 1dp0 s PRO 273 N -2.11 2.67 0.71 0.00 0.04 -1.26 -0.65 135.00 134.39 1dp0 s PRO 273 Ca -0.07 0.33 -0.12 0.00 0.04 0.00 0.00 61.00 61.18 1dp0 s PRO 273 Cb -0.01 -2.03 0.02 0.00 0.04 0.00 0.00 34.50 32.52 1dp0 s PRO 273 CO 0.01 -1.12 1.08 -0.06 0.04 0.00 0.00 177.00 176.94 1dp0 s PHE 274 N -3.37 2.85 0.00 0.56 0.40 -1.26 -4.85 117.98 112.31 1dp0 s PHE 274 Ca 0.59 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 58.41 1dp0 s PHE 274 Cb -0.11 -2.98 0.00 0.00 0.51 0.00 0.00 43.02 40.44 1dp0 s PHE 274 CO 0.50 -1.48 0.00 0.41 0.70 0.00 0.00 175.22 175.36 1dp0 n GLY 275 N -1.45 2.12 3.91 4.36 0.00 0.33 -4.96 105.19 109.49 1dp0 n GLY 275 Ca 0.08 -0.38 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 1dp0 n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1dp0 s GLY 276 N 0.00 1.63 0.81 -0.02 0.00 0.16 -4.82 107.32 105.07 1dp0 s GLY 276 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 44.72 43.86 1dp0 s GLY 276 CO 0.00 -0.29 1.12 -1.83 0.00 0.00 0.00 173.10 172.10 1dp0 s GLU 277 N -5.47 1.87 0.22 2.90 -1.05 -1.26 -4.45 118.70 111.47 1dp0 s GLU 277 Ca 0.61 1.35 -0.32 0.00 -0.15 0.00 0.00 54.97 56.46 1dp0 s GLU 277 Cb -0.11 -1.84 -0.12 0.00 -0.44 0.00 0.00 34.13 31.62 1dp0 s GLU 277 CO 0.48 -1.96 1.65 -0.89 0.95 0.00 0.00 175.26 175.49 1dp0 n ILE 278 N -3.64 0.31 -0.08 1.83 2.08 -1.26 -4.30 119.36 114.30 1dp0 n ILE 278 Ca 0.10 -0.08 -0.10 0.00 0.56 0.00 0.00 62.75 63.23 1dp0 n ILE 278 Cb 0.52 -1.88 -0.09 0.00 -0.75 0.00 0.00 39.64 37.45 1dp0 n ILE 278 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 1dp0 n ILE 279 N 3.30 0.96 -2.85 1.39 2.08 0.86 -4.90 119.36 120.21 1dp0 n ILE 279 Ca 0.14 -0.42 0.00 0.00 0.56 0.00 0.00 62.75 63.03 1dp0 n ILE 279 Cb 0.34 -0.99 0.00 0.00 -0.75 0.00 0.00 39.64 38.24 1dp0 n ILE 279 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1dp0 n ASP 280 N -2.87 0.00 0.34 4.38 5.68 -0.62 -5.01 116.55 118.45 1dp0 n ASP 280 Ca -0.28 -0.75 0.21 0.00 -0.50 0.00 0.00 54.79 53.47 1dp0 n ASP 280 Cb 0.85 0.00 1.13 0.00 -1.14 0.00 0.00 41.12 41.96 1dp0 n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1dp0 h GLU 281 N 0.00 0.00 -0.02 0.11 3.07 -2.05 -1.44 114.58 114.26 1dp0 h GLU 281 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1dp0 h GLU 281 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1dp0 h GLU 281 CO 0.00 0.00 -0.16 0.54 -1.40 0.00 0.00 179.01 177.99 1dp0 n ARG 282 N -3.05 1.59 0.00 2.33 5.12 -1.26 -5.07 116.66 116.32 1dp0 n ARG 282 Ca -0.03 -1.16 0.00 0.00 -1.93 0.00 0.00 57.85 54.74 1dp0 n ARG 282 Cb 0.14 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 1dp0 n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dp0 n GLY 283 N 1.31 0.21 0.00 -0.13 0.00 -0.54 -5.07 105.19 100.98 1dp0 n GLY 283 Ca 0.14 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.16 1dp0 n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 284 N 0.00 4.59 3.50 -0.02 0.00 -1.26 -0.10 105.19 111.90 1dp0 n GLY 284 Ca 0.00 -1.90 -0.43 0.00 0.00 0.00 0.00 46.02 43.69 1dp0 n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dp0 s TYR 285 N -1.19 2.98 -0.13 1.61 1.51 -1.26 -4.89 117.35 115.97 1dp0 s TYR 285 Ca 0.00 -0.20 0.30 0.00 -1.01 0.00 0.00 57.07 56.16 1dp0 s TYR 285 Cb 0.00 -3.64 1.17 0.00 -0.11 0.00 0.00 41.96 39.38 1dp0 s TYR 285 CO 0.00 -1.07 1.88 0.00 -1.11 0.00 0.00 175.55 175.25 1dp0 h ALA 286 N 9.05 1.00 -0.56 3.71 0.00 -1.94 0.53 119.26 131.04 1dp0 h ALA 286 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1dp0 h ALA 286 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1dp0 h ALA 286 CO 0.98 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.83 1dp0 n ASP 287 N -2.82 5.62 -4.11 0.00 5.75 -1.26 -3.22 116.55 116.51 1dp0 n ASP 287 Ca 0.01 -2.91 -0.08 0.00 -0.01 0.00 0.00 54.79 51.80 1dp0 n ASP 287 Cb 0.30 -0.68 -0.10 0.00 -1.03 0.00 0.00 41.12 39.61 1dp0 n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1dp0 s ARG 288 N -2.72 0.66 -0.04 0.11 0.52 -1.09 -1.85 118.95 114.54 1dp0 s ARG 288 Ca 0.53 -1.22 -0.13 0.00 -0.52 0.00 0.00 55.73 54.40 1dp0 s ARG 288 Cb 0.41 0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.97 1dp0 s ARG 288 CO 0.15 -0.08 0.29 0.54 0.02 0.00 0.00 175.30 176.23 1dp0 s VAL 289 N -3.67 0.04 -0.19 3.52 0.11 -0.39 -0.52 120.40 119.31 1dp0 s VAL 289 Ca 0.07 -0.35 -0.01 0.00 -2.93 0.00 0.00 61.98 58.76 1dp0 s VAL 289 Cb 0.06 -0.54 0.01 0.00 -1.53 0.00 0.00 36.38 34.38 1dp0 s VAL 289 CO -0.08 -0.19 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.47 1dp0 s THR 290 N -0.88 2.63 -0.07 5.04 2.01 -1.26 -0.41 115.64 122.71 1dp0 s THR 290 Ca -0.10 -0.75 -0.04 0.00 0.31 0.00 0.00 61.69 61.11 1dp0 s THR 290 Cb -0.05 -2.14 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 1dp0 s THR 290 CO 0.03 0.50 0.12 -0.76 -0.69 0.00 0.00 174.62 173.81 1dp0 s LEU 291 N 1.25 4.19 -0.15 4.42 2.01 -0.22 -4.93 118.68 125.26 1dp0 s LEU 291 Ca 0.03 0.34 0.00 0.00 0.01 0.00 0.00 54.13 54.51 1dp0 s LEU 291 Cb -0.14 -2.21 0.03 0.00 0.01 0.00 0.00 46.19 43.88 1dp0 s LEU 291 CO -0.07 0.34 -0.11 -0.13 1.01 0.00 0.00 176.35 177.39 1dp0 s ARG 292 N -1.37 2.00 -0.12 1.70 0.52 -1.26 -0.80 118.95 119.62 1dp0 s ARG 292 Ca 0.19 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 1dp0 s ARG 292 Cb -0.12 -2.01 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1dp0 s ARG 292 CO 0.09 -0.29 -0.21 -0.51 0.02 0.00 0.00 175.30 174.41 1dp0 s LEU 293 N 1.54 2.21 0.20 2.53 1.43 0.10 -4.95 118.68 121.75 1dp0 s LEU 293 Ca 0.04 -0.54 -0.28 0.00 -1.03 0.00 0.00 54.13 52.32 1dp0 s LEU 293 Cb -0.13 -1.46 -0.08 0.00 0.03 0.00 0.00 46.19 44.54 1dp0 s LEU 293 CO -0.10 0.13 0.88 0.20 0.23 0.00 0.00 176.35 177.70 1dp0 s ASN 294 N 0.53 7.54 -0.10 2.29 -0.87 -1.26 -0.45 114.94 122.62 1dp0 s ASN 294 Ca -0.13 1.82 -0.01 0.00 -1.57 0.00 0.00 52.86 52.97 1dp0 s ASN 294 Cb -0.17 -2.57 0.03 0.00 -0.02 0.00 0.00 41.25 38.52 1dp0 s ASN 294 CO 0.05 0.15 -0.03 -0.69 -2.57 0.00 0.00 177.10 174.01 1dp0 s VAL 295 N -1.03 0.68 0.05 1.60 1.01 0.01 -4.88 120.40 117.83 1dp0 s VAL 295 Ca 0.40 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 62.14 1dp0 s VAL 295 Cb -0.25 -0.80 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 1dp0 s VAL 295 CO 0.30 0.27 0.43 -1.61 0.00 0.00 0.00 175.10 174.49 1dp0 s GLU 296 N 1.85 3.88 -1.42 2.72 0.41 -1.26 -1.28 118.70 123.59 1dp0 s GLU 296 Ca 0.05 0.35 -0.03 0.00 -0.41 0.00 0.00 54.97 54.92 1dp0 s GLU 296 Cb -0.13 -3.10 0.02 0.00 -1.78 0.00 0.00 34.13 29.15 1dp0 s GLU 296 CO -0.07 0.61 0.57 0.09 -0.49 0.00 0.00 175.26 175.98 1dp0 n ASN 297 N 1.34 -1.19 -4.72 -0.19 4.13 0.18 -4.89 115.26 109.92 1dp0 n ASN 297 Ca -0.10 -0.94 -0.39 0.00 1.68 0.00 0.00 54.58 54.83 1dp0 n ASN 297 Cb 0.52 -3.36 0.04 0.00 -1.54 0.00 0.00 39.78 35.43 1dp0 n ASN 297 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1dp0 n PRO 298 N -4.39 1.68 -2.63 3.52 -0.04 -1.26 -4.93 135.00 126.95 1dp0 n PRO 298 Ca -0.24 0.61 -0.43 0.00 -0.04 0.00 0.00 63.50 63.40 1dp0 n PRO 298 Cb 0.65 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.61 1dp0 n PRO 298 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1dp0 s LYS 299 N -2.67 4.10 0.37 0.54 1.02 -1.26 -5.00 119.74 116.83 1dp0 s LYS 299 Ca 0.69 1.13 -0.20 0.00 0.02 0.00 0.00 55.97 57.61 1dp0 s LYS 299 Cb -0.44 -3.73 -0.10 0.00 -0.52 0.00 0.00 37.83 33.04 1dp0 s LYS 299 CO 0.52 -0.86 0.87 -0.51 -0.92 0.00 0.00 175.35 174.44 1dp0 s LEU 300 N 3.60 4.06 0.05 3.17 1.43 -1.26 -4.52 118.68 125.21 1dp0 s LEU 300 Ca 0.46 1.57 -0.14 0.00 -1.03 0.00 0.00 54.13 54.99 1dp0 s LEU 300 Cb -0.13 -4.26 -0.06 0.00 0.03 0.00 0.00 46.19 41.77 1dp0 s LEU 300 CO 0.14 -0.25 0.44 0.86 0.23 0.00 0.00 176.35 177.78 1dp0 s TRP 301 N -2.00 3.69 0.26 0.29 -0.00 -0.03 -4.08 118.94 117.07 1dp0 s TRP 301 Ca 0.57 0.99 -0.19 0.00 -0.00 0.00 0.00 56.10 57.47 1dp0 s TRP 301 Cb -0.11 -2.30 0.02 0.00 -0.00 0.00 0.00 33.47 31.08 1dp0 s TRP 301 CO 0.16 0.58 0.65 -1.54 -0.00 0.00 0.00 176.95 176.80 1dp0 s SER 302 N -1.32 -0.23 0.36 5.86 1.04 -0.89 -4.64 113.70 113.87 1dp0 s SER 302 Ca 0.28 -0.65 0.27 0.00 0.48 0.00 0.00 55.95 56.33 1dp0 s SER 302 Cb -0.16 0.68 1.04 0.00 0.10 0.00 0.00 66.02 67.68 1dp0 s SER 302 CO 0.16 -1.27 1.80 0.00 0.98 0.00 0.00 173.24 174.91 1dp0 h ALA 303 N 2.07 1.00 0.11 5.32 0.00 -1.90 -2.26 119.26 123.60 1dp0 h ALA 303 Ca -0.22 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.46 1dp0 h ALA 303 Cb 1.25 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.07 1dp0 h ALA 303 CO 0.27 0.00 -0.96 0.93 0.00 0.00 0.00 179.25 179.49 1dp0 h GLU 304 N 0.00 0.45 -2.71 0.00 5.08 -1.94 -3.42 114.58 112.05 1dp0 h GLU 304 Ca 0.00 -0.64 -0.55 0.00 -1.00 0.00 0.00 59.36 57.17 1dp0 h GLU 304 Cb 0.49 0.22 -0.40 0.00 0.50 0.00 0.00 28.75 29.57 1dp0 h GLU 304 CO 0.00 1.27 -0.81 0.42 -1.00 0.00 0.00 179.01 178.90 1dp0 s ILE 305 N -2.81 0.01 -1.23 3.13 1.01 -1.13 -5.00 121.20 115.18 1dp0 s ILE 305 Ca -0.12 -1.12 -0.08 0.00 0.00 0.00 0.00 60.65 59.33 1dp0 s ILE 305 Cb 0.03 -1.03 -0.08 0.00 0.01 0.00 0.00 42.46 41.39 1dp0 s ILE 305 CO 0.87 -0.83 2.62 -0.81 0.00 0.00 0.00 174.94 176.80 1dp0 n PRO 306 N 4.78 2.91 -1.90 2.79 -0.04 -0.87 -2.09 135.00 140.58 1dp0 n PRO 306 Ca 0.01 -1.80 -0.42 0.00 -0.04 0.00 0.00 63.50 61.25 1dp0 n PRO 306 Cb 0.40 -2.60 -0.02 0.00 -0.04 0.00 0.00 33.50 31.24 1dp0 n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1dp0 s ASN 307 N 2.67 6.53 0.05 3.54 0.01 -1.26 -4.88 114.94 121.61 1dp0 s ASN 307 Ca 0.56 2.75 0.05 0.00 -0.71 0.00 0.00 52.86 55.52 1dp0 s ASN 307 Cb 0.15 -2.62 -0.02 0.00 0.41 0.00 0.00 41.25 39.17 1dp0 s ASN 307 CO -0.05 -0.82 -0.15 -0.76 -1.51 0.00 0.00 177.10 173.82 1dp0 s LEU 308 N 0.14 2.21 0.46 0.60 1.43 -1.26 -4.18 118.68 118.07 1dp0 s LEU 308 Ca 0.65 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1dp0 s LEU 308 Cb -0.45 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 1dp0 s LEU 308 CO 0.40 0.00 0.24 -0.31 0.23 0.00 0.00 176.35 176.91 1dp0 s TYR 309 N -0.99 2.30 -0.15 0.29 1.51 0.13 -4.59 117.35 115.85 1dp0 s TYR 309 Ca 0.01 -0.68 0.01 0.00 -1.01 0.00 0.00 57.07 55.40 1dp0 s TYR 309 Cb -0.09 -1.93 0.02 0.00 -0.11 0.00 0.00 41.96 39.85 1dp0 s TYR 309 CO 0.02 -0.00 -0.16 0.50 -1.11 0.00 0.00 175.55 174.79 1dp0 s ARG 310 N -4.02 2.49 -0.19 -0.62 6.06 -0.37 0.81 118.95 123.12 1dp0 s ARG 310 Ca 0.36 -0.64 -0.13 0.00 -2.50 0.00 0.00 55.73 52.82 1dp0 s ARG 310 Cb 0.01 -2.20 -0.05 0.00 0.06 0.00 0.00 34.95 32.78 1dp0 s ARG 310 CO 0.21 -0.19 0.27 0.00 -2.50 0.00 0.00 175.30 173.09 1dp0 s ALA 311 N 1.32 3.60 -0.13 6.12 0.00 0.04 -0.91 121.76 131.80 1dp0 s ALA 311 Ca 0.02 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1dp0 s ALA 311 Cb -0.13 -2.41 -0.00 0.00 0.00 0.00 0.00 23.12 20.58 1dp0 s ALA 311 CO -0.09 -0.03 -0.19 0.08 0.00 0.00 0.00 175.76 175.53 1dp0 s VAL 312 N 0.74 2.48 -0.29 0.00 1.01 -0.35 -1.37 120.40 122.62 1dp0 s VAL 312 Ca 0.15 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 1dp0 s VAL 312 Cb -0.13 -2.00 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1dp0 s VAL 312 CO 0.04 0.54 0.04 -0.69 0.00 0.00 0.00 175.10 175.03 1dp0 s VAL 313 N 0.51 3.53 -0.11 2.92 1.01 0.48 -1.80 120.40 126.94 1dp0 s VAL 313 Ca -0.12 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 1dp0 s VAL 313 Cb -0.16 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 1dp0 s VAL 313 CO 0.05 0.05 -0.06 -1.61 0.00 0.00 0.00 175.10 173.53 1dp0 s GLU 314 N 1.41 3.20 -0.22 2.72 2.02 0.37 -1.09 118.70 127.11 1dp0 s GLU 314 Ca 0.00 -0.54 -0.08 0.00 0.02 0.00 0.00 54.97 54.38 1dp0 s GLU 314 Cb -0.18 -2.74 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 1dp0 s GLU 314 CO 0.00 0.46 0.08 -1.17 0.02 0.00 0.00 175.26 174.65 1dp0 s LEU 315 N -0.24 3.65 0.36 1.80 2.96 0.04 -0.68 118.68 126.57 1dp0 s LEU 315 Ca 0.04 -0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 53.78 1dp0 s LEU 315 Cb -0.13 -1.96 0.03 0.00 0.50 0.00 0.00 46.19 44.64 1dp0 s LEU 315 CO 0.02 0.06 0.66 -1.38 -1.32 0.00 0.00 176.35 174.40 1dp0 s HIS 316 N 1.06 0.46 0.36 5.38 -3.43 -0.15 -1.21 115.29 117.76 1dp0 s HIS 316 Ca 0.04 -0.96 0.05 0.00 -0.80 0.00 0.00 55.06 53.40 1dp0 s HIS 316 Cb -0.14 0.47 -0.01 0.00 -1.43 0.00 0.00 32.58 31.48 1dp0 s HIS 316 CO 0.03 -1.38 0.51 0.95 -2.00 0.00 0.00 174.74 172.86 1dp0 s THR 317 N -2.71 4.07 0.41 -5.38 -4.23 -0.64 -0.21 115.64 106.96 1dp0 s THR 317 Ca 0.21 -0.88 0.10 0.00 -1.18 0.00 0.00 61.69 59.93 1dp0 s THR 317 Cb -0.03 -3.43 0.20 0.00 1.34 0.00 0.00 72.50 70.57 1dp0 s THR 317 CO 0.14 -0.20 1.97 0.00 -0.54 0.00 0.00 174.62 176.00 1dp0 h ALA 318 N 0.78 1.61 0.00 3.99 0.00 -1.00 0.27 119.26 124.92 1dp0 h ALA 318 Ca -0.46 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1dp0 h ALA 318 Cb 1.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1dp0 h ALA 318 CO 0.54 0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.68 1dp0 n ASP 319 N -4.35 0.00 0.00 0.00 5.68 -1.26 -4.86 116.55 111.76 1dp0 n ASP 319 Ca -0.00 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.42 1dp0 n ASP 319 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1dp0 n ASP 319 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dp0 n GLY 320 N 0.44 0.95 3.76 6.12 0.00 0.96 -5.07 105.19 112.35 1dp0 n GLY 320 Ca 0.15 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 1dp0 n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dp0 s THR 321 N -2.00 5.14 0.20 2.61 2.01 -1.25 -4.86 115.64 117.49 1dp0 s THR 321 Ca 0.00 0.89 -0.30 0.00 0.31 0.00 0.00 61.69 62.59 1dp0 s THR 321 Cb 0.00 -3.77 -0.08 0.00 0.01 0.00 0.00 72.50 68.66 1dp0 s THR 321 CO 0.00 0.41 0.99 -0.22 -0.69 0.00 0.00 174.62 175.11 1dp0 s LEU 322 N 0.09 4.57 -0.20 4.42 2.96 -1.26 -1.62 118.68 127.64 1dp0 s LEU 322 Ca 0.24 1.97 -0.16 0.00 -0.22 0.00 0.00 54.13 55.97 1dp0 s LEU 322 Cb -0.15 -3.61 -0.10 0.00 0.50 0.00 0.00 46.19 42.83 1dp0 s LEU 322 CO 0.11 -0.00 -0.14 -0.38 -1.32 0.00 0.00 176.35 174.61 1dp0 n ILE 323 N 1.96 1.50 -3.72 6.68 5.41 -0.35 -4.96 119.36 125.87 1dp0 n ILE 323 Ca 0.00 -0.02 -0.04 0.00 1.00 0.00 0.00 62.75 63.70 1dp0 n ILE 323 Cb 0.47 -2.16 -0.01 0.00 -0.71 0.00 0.00 39.64 37.23 1dp0 n ILE 323 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1dp0 s GLU 324 N -2.48 1.12 0.02 0.38 -1.05 -1.06 -4.88 118.70 110.74 1dp0 s GLU 324 Ca -0.28 -0.60 0.02 0.00 -0.15 0.00 0.00 54.97 53.96 1dp0 s GLU 324 Cb 0.07 0.39 -0.01 0.00 -0.44 0.00 0.00 34.13 34.14 1dp0 s GLU 324 CO 0.44 -0.51 -0.07 0.00 0.95 0.00 0.00 175.26 176.06 1dp0 s ALA 325 N -3.23 0.60 0.43 -0.84 0.00 0.01 -0.78 121.76 117.96 1dp0 s ALA 325 Ca 0.12 -0.49 0.03 0.00 0.00 0.00 0.00 51.96 51.62 1dp0 s ALA 325 Cb -0.01 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1dp0 s ALA 325 CO 0.01 0.09 0.05 -1.21 0.00 0.00 0.00 175.76 174.70 1dp0 s GLU 326 N -0.72 1.99 0.00 0.00 0.41 -0.25 -1.26 118.70 118.86 1dp0 s GLU 326 Ca -0.02 -2.21 -0.30 0.00 -0.41 0.00 0.00 54.97 52.04 1dp0 s GLU 326 Cb -0.05 -1.15 0.11 0.00 -1.78 0.00 0.00 34.13 31.25 1dp0 s GLU 326 CO 0.00 -0.32 1.19 0.00 -0.49 0.00 0.00 175.26 175.64 1dp0 s ALA 327 N -3.02 -2.08 0.18 5.21 0.00 -1.26 -0.38 121.76 120.40 1dp0 s ALA 327 Ca 0.21 0.68 -0.19 0.00 0.00 0.00 0.00 51.96 52.67 1dp0 s ALA 327 Cb 0.04 0.37 0.04 0.00 0.00 0.00 0.00 23.12 23.57 1dp0 s ALA 327 CO 0.11 -0.99 0.53 0.00 0.00 0.00 0.00 175.76 175.41 1dp0 s ASP 329 N -2.84 7.56 -0.06 0.00 1.01 -1.26 -0.78 116.67 120.29 1dp0 s ASP 329 Ca 0.07 1.85 0.04 0.00 0.71 0.00 0.00 52.55 55.22 1dp0 s ASP 329 Cb -0.01 -2.57 -0.00 0.00 1.01 0.00 0.00 42.92 41.35 1dp0 s ASP 329 CO -0.06 0.17 -0.20 -0.69 0.21 0.00 0.00 175.17 174.60 1dp0 s VAL 330 N -1.19 1.71 -0.21 -1.27 1.01 0.24 -4.71 120.40 115.98 1dp0 s VAL 330 Ca 0.40 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.51 1dp0 s VAL 330 Cb -0.25 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.67 1dp0 s VAL 330 CO 0.30 0.48 -0.10 -0.83 0.00 0.00 0.00 175.10 174.95 1dp0 s GLY 331 N 0.14 1.54 -0.56 4.51 0.00 -1.26 0.22 107.32 111.90 1dp0 s GLY 331 Ca -0.09 -1.27 -0.28 0.00 0.00 0.00 0.00 44.72 43.09 1dp0 s GLY 331 CO 0.04 0.40 1.32 -1.36 0.00 0.00 0.00 173.10 173.51 1dp0 s PHE 332 N 1.37 2.43 -0.01 1.90 0.40 -1.26 -4.80 117.98 118.00 1dp0 s PHE 332 Ca 0.04 0.45 -0.27 0.00 -0.60 0.00 0.00 56.93 56.56 1dp0 s PHE 332 Cb -0.14 -4.44 0.06 0.00 0.51 0.00 0.00 43.02 39.00 1dp0 s PHE 332 CO -0.07 -1.81 0.59 -0.98 0.70 0.00 0.00 175.22 173.65 1dp0 s ARG 333 N 5.24 1.01 -0.05 0.44 3.03 -1.26 -0.85 118.95 126.52 1dp0 s ARG 333 Ca 0.49 0.06 0.04 0.00 2.03 0.00 0.00 55.73 58.35 1dp0 s ARG 333 Cb -0.09 0.47 -0.03 0.00 -1.03 0.00 0.00 34.95 34.27 1dp0 s ARG 333 CO 0.25 -0.33 -0.15 -2.00 -1.13 0.00 0.00 175.30 171.95 1dp0 s GLU 334 N -1.60 2.48 -0.11 3.89 2.12 -1.26 -4.85 118.70 119.37 1dp0 s GLU 334 Ca -0.10 -0.71 0.02 0.00 0.36 0.00 0.00 54.97 54.55 1dp0 s GLU 334 Cb -0.01 -2.36 0.01 0.00 0.26 0.00 0.00 34.13 32.03 1dp0 s GLU 334 CO 0.06 0.62 -0.18 0.08 -0.54 0.00 0.00 175.26 175.30 1dp0 s VAL 335 N -0.73 1.71 0.12 3.70 1.01 -1.26 -1.12 120.40 123.82 1dp0 s VAL 335 Ca 0.11 -0.77 -0.19 0.00 0.00 0.00 0.00 61.98 61.13 1dp0 s VAL 335 Cb -0.11 -1.53 0.05 0.00 0.00 0.00 0.00 36.38 34.79 1dp0 s VAL 335 CO 0.00 0.48 0.47 0.00 0.00 0.00 0.00 175.10 176.06 1dp0 s ARG 336 N 0.85 1.11 -0.17 2.72 1.70 -0.53 -4.63 118.95 120.00 1dp0 s ARG 336 Ca -0.08 -0.55 -0.01 0.00 -0.47 0.00 0.00 55.73 54.61 1dp0 s ARG 336 Cb -0.15 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.71 1dp0 s ARG 336 CO -0.00 -0.44 -0.10 0.42 -1.08 0.00 0.00 175.30 174.09 1dp0 s ILE 337 N -3.49 3.09 -0.03 4.99 1.01 -1.26 0.03 121.20 125.54 1dp0 s ILE 337 Ca 0.01 -0.62 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 1dp0 s ILE 337 Cb 0.01 -2.34 0.03 0.00 0.01 0.00 0.00 42.46 40.17 1dp0 s ILE 337 CO -0.10 0.49 0.07 -0.70 0.00 0.00 0.00 174.94 174.70 1dp0 s GLU 338 N 0.83 0.01 -1.39 2.79 2.12 -0.12 -4.85 118.70 118.10 1dp0 s GLU 338 Ca -0.03 0.23 -0.00 0.00 0.36 0.00 0.00 54.97 55.52 1dp0 s GLU 338 Cb -0.15 -0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.05 1dp0 s GLU 338 CO 0.01 -0.14 0.00 -1.71 -0.54 0.00 0.00 175.26 172.87 1dp0 n ASN 339 N 4.03 -4.83 0.00 -1.70 5.15 -1.26 -1.22 115.26 115.44 1dp0 n ASN 339 Ca -0.25 0.10 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 1dp0 n ASN 339 Cb 0.52 -4.05 0.00 0.00 -0.53 0.00 0.00 39.78 35.72 1dp0 n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dp0 n GLY 340 N -0.90 0.74 3.26 8.20 0.00 -1.26 -5.04 105.19 110.19 1dp0 n GLY 340 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.55 1dp0 n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dp0 s LEU 341 N 0.00 2.12 -0.25 0.99 1.43 -0.35 -2.52 118.68 120.09 1dp0 s LEU 341 Ca 0.00 -0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 52.37 1dp0 s LEU 341 Cb 0.00 -1.09 -0.00 0.00 0.03 0.00 0.00 46.19 45.13 1dp0 s LEU 341 CO 0.00 0.22 0.86 -0.22 0.23 0.00 0.00 176.35 177.44 1dp0 s LEU 342 N -0.91 4.08 -0.03 1.79 2.96 -1.26 -0.94 118.68 124.36 1dp0 s LEU 342 Ca 0.09 1.04 0.02 0.00 -0.22 0.00 0.00 54.13 55.05 1dp0 s LEU 342 Cb -0.09 -3.23 -0.03 0.00 0.50 0.00 0.00 46.19 43.34 1dp0 s LEU 342 CO 0.01 -0.56 -0.07 -0.76 -1.32 0.00 0.00 176.35 173.65 1dp0 s LEU 343 N 2.92 3.14 -0.18 -0.68 1.43 0.10 -2.06 118.68 123.35 1dp0 s LEU 343 Ca 0.36 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1dp0 s LEU 343 Cb -0.15 -1.74 0.03 0.00 0.03 0.00 0.00 46.19 44.36 1dp0 s LEU 343 CO 0.08 0.32 -0.16 -0.22 0.23 0.00 0.00 176.35 176.61 1dp0 s LEU 344 N -1.09 2.15 -1.47 1.79 2.96 0.85 -1.45 118.68 122.42 1dp0 s LEU 344 Ca 0.15 -0.72 -0.11 0.00 -0.22 0.00 0.00 54.13 53.23 1dp0 s LEU 344 Cb -0.11 -1.35 0.05 0.00 0.50 0.00 0.00 46.19 45.28 1dp0 s LEU 344 CO 0.04 -0.06 0.91 0.59 -1.32 0.00 0.00 176.35 176.51 1dp0 n ASN 345 N 4.66 -5.28 0.00 3.68 3.02 -0.28 -1.50 115.26 119.56 1dp0 n ASN 345 Ca -0.18 -0.59 0.00 0.00 -0.03 0.00 0.00 54.58 53.78 1dp0 n ASN 345 Cb 0.49 -4.22 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 1dp0 n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dp0 n GLY 346 N -1.67 1.74 3.42 7.41 0.00 -1.26 -5.02 105.19 109.79 1dp0 n GLY 346 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1dp0 n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dp0 s LYS 347 N -0.10 1.79 -0.04 1.61 -0.14 -0.56 -4.98 119.74 117.31 1dp0 s LYS 347 Ca 0.00 -1.14 -0.30 0.00 -1.36 0.00 0.00 55.97 53.17 1dp0 s LYS 347 Cb 0.00 -2.05 -0.04 0.00 -1.68 0.00 0.00 37.83 34.06 1dp0 s LYS 347 CO 0.00 0.50 1.26 -1.25 -0.76 0.00 0.00 175.35 175.10 1dp0 s PRO 348 N -1.65 4.33 0.62 -1.68 0.04 -1.26 -0.11 135.00 135.29 1dp0 s PRO 348 Ca 0.14 1.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.80 1dp0 s PRO 348 Cb -0.10 -3.57 -0.02 0.00 0.04 0.00 0.00 34.50 30.84 1dp0 s PRO 348 CO 0.05 -0.49 1.05 -0.51 0.04 0.00 0.00 177.00 177.15 1dp0 s LEU 349 N 2.31 3.39 -0.33 -3.56 1.43 -0.88 -4.94 118.68 116.10 1dp0 s LEU 349 Ca 0.58 1.74 -0.00 0.00 -1.03 0.00 0.00 54.13 55.42 1dp0 s LEU 349 Cb -0.26 -4.52 0.11 0.00 0.03 0.00 0.00 46.19 41.54 1dp0 s LEU 349 CO 0.23 -1.22 0.12 -0.22 0.23 0.00 0.00 176.35 175.49 1dp0 s LEU 350 N -4.80 2.31 -0.32 1.79 2.96 -1.26 -4.78 118.68 114.58 1dp0 s LEU 350 Ca 0.62 -1.82 -0.29 0.00 -0.22 0.00 0.00 54.13 52.42 1dp0 s LEU 350 Cb -0.15 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.65 1dp0 s LEU 350 CO 0.42 -0.39 1.32 -0.63 -1.32 0.00 0.00 176.35 175.75 1dp0 s ILE 351 N 1.40 4.11 -1.04 6.68 -1.09 0.67 -4.95 121.20 126.98 1dp0 s ILE 351 Ca 0.11 1.23 -0.06 0.00 -2.23 0.00 0.00 60.65 59.71 1dp0 s ILE 351 Cb -0.19 -4.17 0.26 0.00 -1.58 0.00 0.00 42.46 36.79 1dp0 s ILE 351 CO -0.20 -0.52 1.02 0.54 -1.23 0.00 0.00 174.94 174.55 1dp0 n ARG 352 N 7.43 3.27 -3.65 2.79 1.74 -1.26 -2.33 116.66 124.65 1dp0 n ARG 352 Ca 0.15 -4.48 -0.21 0.00 -0.77 0.00 0.00 57.85 52.55 1dp0 n ARG 352 Cb 0.47 -2.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.38 1dp0 n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1dp0 s GLY 353 N 0.57 1.94 -0.07 -0.13 0.00 -0.06 -0.50 107.32 109.08 1dp0 s GLY 353 Ca 0.30 -1.75 -0.10 0.00 0.00 0.00 0.00 44.72 43.17 1dp0 s GLY 353 CO -0.09 -1.62 0.26 0.54 0.00 0.00 0.00 173.10 172.19 1dp0 s VAL 354 N -2.38 0.02 0.25 1.40 0.11 -0.67 -1.01 120.40 118.12 1dp0 s VAL 354 Ca 0.45 -0.17 -0.29 0.00 -2.93 0.00 0.00 61.98 59.03 1dp0 s VAL 354 Cb -0.05 -0.43 -0.09 0.00 -1.53 0.00 0.00 36.38 34.28 1dp0 s VAL 354 CO 0.28 -0.10 0.93 0.20 -3.33 0.00 0.00 175.10 173.08 1dp0 s ASN 355 N -0.32 7.60 -0.05 3.54 0.01 -0.17 -1.27 114.94 124.29 1dp0 s ASN 355 Ca -0.04 1.92 -0.02 0.00 -0.71 0.00 0.00 52.86 54.00 1dp0 s ASN 355 Cb -0.03 -2.60 0.03 0.00 0.41 0.00 0.00 41.25 39.06 1dp0 s ASN 355 CO 0.01 0.13 0.08 -0.60 -1.51 0.00 0.00 177.10 175.22 1dp0 s ARG 356 N -1.29 -0.05 0.58 -0.60 3.52 -1.04 -0.37 118.95 119.71 1dp0 s ARG 356 Ca 0.42 0.39 -0.08 0.00 -0.13 0.00 0.00 55.73 56.33 1dp0 s ARG 356 Cb -0.25 -0.53 -0.02 0.00 -1.56 0.00 0.00 34.95 32.60 1dp0 s ARG 356 CO 0.31 -0.34 0.93 -1.01 -0.81 0.00 0.00 175.30 174.38 1dp0 s HIS 357 N 2.19 3.46 -0.61 5.12 3.76 -1.26 -3.89 115.29 124.07 1dp0 s HIS 357 Ca 0.05 0.93 -0.22 0.00 -0.15 0.00 0.00 55.06 55.67 1dp0 s HIS 357 Cb -0.12 -2.65 0.07 0.00 1.11 0.00 0.00 32.58 30.99 1dp0 s HIS 357 CO -0.04 -0.67 0.87 -1.21 -0.85 0.00 0.00 174.74 172.83 1dp0 s GLU 358 N -5.02 3.14 -0.11 1.40 2.02 -1.26 -4.93 118.70 113.93 1dp0 s GLU 358 Ca 0.53 -0.83 -0.09 0.00 0.02 0.00 0.00 54.97 54.60 1dp0 s GLU 358 Cb -0.11 -4.19 0.04 0.00 0.10 0.00 0.00 34.13 29.97 1dp0 s GLU 358 CO 0.48 -1.63 0.29 -1.58 0.02 0.00 0.00 175.26 172.85 1dp0 s HIS 359 N 3.59 -0.35 -0.05 1.61 2.46 -1.26 -4.52 115.29 116.77 1dp0 s HIS 359 Ca 0.21 0.84 0.01 0.00 0.47 0.00 0.00 55.06 56.59 1dp0 s HIS 359 Cb -0.18 0.11 0.02 0.00 -0.13 0.00 0.00 32.58 32.40 1dp0 s HIS 359 CO 0.11 -0.20 -0.06 -1.58 -2.47 0.00 0.00 174.74 170.55 1dp0 s HIS 360 N 0.59 0.85 0.63 3.88 5.04 0.60 -5.00 115.29 121.88 1dp0 s HIS 360 Ca -0.04 -0.25 0.37 0.00 -1.54 0.00 0.00 55.06 53.60 1dp0 s HIS 360 Cb -0.05 -0.72 2.13 0.00 0.04 0.00 0.00 32.58 33.98 1dp0 s HIS 360 CO -0.03 -0.20 2.31 -1.00 -2.34 0.00 0.00 174.74 173.47 1dp0 h PRO 361 N 7.14 0.00 0.00 2.88 0.13 -1.79 -0.01 132.00 140.35 1dp0 h PRO 361 Ca -0.37 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.54 1dp0 h PRO 361 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1dp0 h PRO 361 CO 0.47 0.00 -1.82 1.28 -0.23 0.00 0.00 178.00 177.70 1dp0 n LEU 362 N -3.45 1.63 -0.93 1.56 4.77 -1.26 -1.36 117.00 117.97 1dp0 n LEU 362 Ca -0.03 -0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.03 1dp0 n LEU 362 Cb 0.09 -0.15 0.25 0.00 -2.33 0.00 0.00 43.42 41.27 1dp0 n LEU 362 CO 0.23 0.54 0.72 1.41 -1.33 0.00 0.00 177.39 178.96 1dp0 n HIS 363 N -2.70 0.29 0.00 -1.77 8.25 -1.18 -4.94 115.22 113.17 1dp0 n HIS 363 Ca -0.23 -0.14 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 1dp0 n HIS 363 Cb 0.82 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.93 1dp0 n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dp0 n GLY 364 N 1.37 2.30 0.67 -1.41 0.00 -0.03 -2.73 105.19 105.36 1dp0 n GLY 364 Ca 0.17 -0.26 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1dp0 n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dp0 n GLN 365 N 7.96 2.84 -2.78 1.61 6.02 -1.26 -0.29 117.38 131.48 1dp0 n GLN 365 Ca 0.00 -2.07 -0.42 0.00 -0.01 0.00 0.00 57.00 54.50 1dp0 n GLN 365 Cb 0.00 -1.28 -0.03 0.00 1.02 0.00 0.00 30.24 29.94 1dp0 n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1dp0 s VAL 366 N -1.00 4.90 0.04 5.09 1.01 -1.11 -4.86 120.40 124.48 1dp0 s VAL 366 Ca 0.24 1.92 0.03 0.00 0.00 0.00 0.00 61.98 64.17 1dp0 s VAL 366 Cb 0.13 -4.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 1dp0 s VAL 366 CO 0.17 0.16 0.01 -0.04 0.00 0.00 0.00 175.10 175.40 1dp0 s MET 367 N 1.07 2.71 0.17 2.72 -1.94 -1.26 -4.71 119.30 118.05 1dp0 s MET 367 Ca 0.48 -0.70 0.08 0.00 -1.71 0.00 0.00 55.69 53.84 1dp0 s MET 367 Cb -0.20 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 33.97 1dp0 s MET 367 CO 0.25 0.59 -0.16 0.16 -0.01 0.00 0.00 175.02 175.85 1dp0 s ASP 368 N -1.89 2.52 0.28 3.03 -4.77 -1.26 -5.04 116.67 109.54 1dp0 s ASP 368 Ca 0.22 -0.90 -0.02 0.00 -3.30 0.00 0.00 52.55 48.56 1dp0 s ASP 368 Cb -0.12 -0.13 0.44 0.00 -1.09 0.00 0.00 42.92 42.02 1dp0 s ASP 368 CO 0.14 -0.10 1.89 -0.08 0.70 0.00 0.00 175.17 177.73 1dp0 h GLU 369 N 3.08 1.11 -0.37 2.11 4.81 -1.99 -1.74 114.58 121.58 1dp0 h GLU 369 Ca -0.40 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1dp0 h GLU 369 Cb 1.21 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1dp0 h GLU 369 CO 0.54 0.74 0.25 0.37 -0.73 0.00 0.00 179.01 180.18 1dp0 h GLN 370 N 1.15 0.49 -0.55 1.92 4.15 -1.99 -0.20 115.11 120.07 1dp0 h GLN 370 Ca 0.42 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.71 1dp0 h GLN 370 Cb 0.16 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.72 1dp0 h GLN 370 CO -0.16 0.32 -0.04 1.15 -1.93 0.00 0.00 178.83 178.17 1dp0 h THR 371 N 0.50 1.27 -0.12 2.39 2.02 -1.93 0.60 112.91 117.64 1dp0 h THR 371 Ca 0.14 -1.18 0.03 0.00 0.77 0.00 0.00 66.41 66.17 1dp0 h THR 371 Cb -0.05 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 1dp0 h THR 371 CO -0.03 0.42 -0.07 0.24 0.37 0.00 0.00 175.52 176.44 1dp0 h MET 372 N 0.88 -0.07 -0.56 6.66 2.86 -0.92 -0.57 114.93 123.21 1dp0 h MET 372 Ca 0.15 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1dp0 h MET 372 Cb 0.59 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 1dp0 h MET 372 CO 0.04 -0.05 0.24 0.28 1.06 0.00 0.00 176.91 178.48 1dp0 h VAL 373 N -0.07 1.22 -0.75 -2.22 2.07 -0.84 -0.42 116.25 115.24 1dp0 h VAL 373 Ca 0.07 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 66.97 1dp0 h VAL 373 Cb 0.18 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1dp0 h VAL 373 CO -0.17 0.26 0.48 -0.61 0.02 0.00 0.00 177.57 177.55 1dp0 h GLN 374 N 0.77 0.91 -0.47 1.57 4.15 -0.64 -0.37 115.11 121.03 1dp0 h GLN 374 Ca 0.19 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 1dp0 h GLN 374 Cb 0.17 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.63 1dp0 h GLN 374 CO -0.02 0.60 0.18 -0.44 -1.93 0.00 0.00 178.83 177.22 1dp0 h ASP 375 N 0.94 0.66 -0.21 -0.69 3.32 -0.33 -1.32 116.42 118.78 1dp0 h ASP 375 Ca 0.30 -0.18 -0.11 0.00 0.02 0.00 0.00 57.03 57.06 1dp0 h ASP 375 Cb -0.00 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1dp0 h ASP 375 CO -0.10 0.66 -0.24 0.40 -1.72 0.00 0.00 179.24 178.23 1dp0 h ILE 376 N 0.62 1.27 -0.56 0.35 2.04 -0.56 -0.53 117.51 120.14 1dp0 h ILE 376 Ca 0.16 -1.33 -0.09 0.00 1.00 0.00 0.00 64.86 64.59 1dp0 h ILE 376 Cb 0.21 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 1dp0 h ILE 376 CO -0.01 0.44 -0.02 -0.07 0.00 0.00 0.00 178.15 178.49 1dp0 h LEU 377 N 0.60 0.99 -0.84 1.44 3.38 -0.89 -1.48 115.31 118.51 1dp0 h LEU 377 Ca 0.08 -0.32 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 1dp0 h LEU 377 Cb 0.73 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1dp0 h LEU 377 CO 0.06 1.06 -0.05 -0.07 0.09 0.00 0.00 178.44 179.53 1dp0 h LEU 378 N 0.88 0.79 0.42 1.67 3.38 -0.98 -0.23 115.31 121.25 1dp0 h LEU 378 Ca 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1dp0 h LEU 378 Cb 0.57 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1dp0 h LEU 378 CO 0.03 0.89 -0.20 0.24 0.09 0.00 0.00 178.44 179.49 1dp0 h MET 379 N 0.75 -0.55 -0.60 1.13 2.86 -0.80 -0.95 114.93 116.76 1dp0 h MET 379 Ca 0.14 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1dp0 h MET 379 Cb 0.52 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.28 1dp0 h MET 379 CO 0.03 -0.35 0.24 0.87 1.06 0.00 0.00 176.91 178.76 1dp0 h LYS 380 N -0.59 0.88 0.00 1.72 1.57 -1.10 -0.96 116.57 118.09 1dp0 h LYS 380 Ca -0.06 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.56 1dp0 h LYS 380 Cb 0.45 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 1dp0 h LYS 380 CO 0.10 0.72 -0.15 1.96 -0.57 0.00 0.00 179.45 181.50 1dp0 h GLN 381 N 0.87 0.00 -0.66 3.15 4.20 -0.89 -1.90 115.11 119.87 1dp0 h GLN 381 Ca 0.21 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.68 1dp0 h GLN 381 Cb 0.16 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.80 1dp0 h GLN 381 CO -0.02 0.15 0.24 0.09 -0.67 0.00 0.00 178.83 178.62 1dp0 n ASN 382 N -3.64 4.16 -1.10 1.46 3.02 -0.38 -4.95 115.26 113.83 1dp0 n ASN 382 Ca -0.02 -3.35 -0.13 0.00 -0.03 0.00 0.00 54.58 51.05 1dp0 n ASN 382 Cb 0.27 -0.72 -0.04 0.00 -0.61 0.00 0.00 39.78 38.68 1dp0 n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1dp0 n ASN 383 N -0.53 -4.43 -4.86 6.41 3.02 -0.72 -3.91 115.26 110.25 1dp0 n ASN 383 Ca 0.40 0.24 -0.33 0.00 -0.03 0.00 0.00 54.58 54.86 1dp0 n ASN 383 Cb 1.32 -3.19 -0.06 0.00 -0.61 0.00 0.00 39.78 37.24 1dp0 n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1dp0 s PHE 384 N -2.52 3.50 0.00 3.10 0.40 -0.48 -4.83 117.98 117.15 1dp0 s PHE 384 Ca 0.00 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 57.31 1dp0 s PHE 384 Cb 0.00 -2.33 0.00 0.00 0.51 0.00 0.00 43.02 41.20 1dp0 s PHE 384 CO 0.00 0.32 0.53 0.27 0.70 0.00 0.00 175.22 177.05 1dp0 n ASN 385 N 0.25 0.91 -3.65 1.36 0.23 0.35 -4.25 115.26 110.46 1dp0 n ASN 385 Ca -0.02 -1.28 -0.14 0.00 -0.53 0.00 0.00 54.58 52.62 1dp0 n ASN 385 Cb 0.52 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.15 1dp0 n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1dp0 s ALA 386 N -0.28 -1.16 -0.01 -2.53 0.00 -1.08 -0.85 121.76 115.85 1dp0 s ALA 386 Ca 0.00 0.58 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 1dp0 s ALA 386 Cb 0.00 0.20 0.00 0.00 0.00 0.00 0.00 23.12 23.32 1dp0 s ALA 386 CO 0.00 -0.39 0.04 0.54 0.00 0.00 0.00 175.76 175.95 1dp0 s VAL 387 N -1.86 0.02 -0.16 0.00 0.11 0.84 -1.66 120.40 117.68 1dp0 s VAL 387 Ca -0.09 -0.14 -0.05 0.00 -2.93 0.00 0.00 61.98 58.77 1dp0 s VAL 387 Cb -0.02 -0.11 -0.03 0.00 -1.53 0.00 0.00 36.38 34.69 1dp0 s VAL 387 CO 0.02 -0.08 -0.01 -0.60 -3.33 0.00 0.00 175.10 171.11 1dp0 s ARG 388 N -0.22 3.76 -1.32 1.54 3.52 -0.39 -1.24 118.95 124.60 1dp0 s ARG 388 Ca -0.03 -0.47 -0.17 0.00 -0.13 0.00 0.00 55.73 54.94 1dp0 s ARG 388 Cb -0.02 -3.01 0.02 0.00 -1.56 0.00 0.00 34.95 30.39 1dp0 s ARG 388 CO -0.00 0.25 2.01 0.00 -0.81 0.00 0.00 175.30 176.75 1dp0 s SER 390 N 3.95 6.95 -0.43 0.00 1.04 -1.25 -1.12 113.70 122.83 1dp0 s SER 390 Ca 0.52 1.70 0.08 0.00 0.48 0.00 0.00 55.95 58.73 1dp0 s SER 390 Cb 0.10 -2.54 0.27 0.00 0.10 0.00 0.00 66.02 63.95 1dp0 s SER 390 CO 0.00 -0.75 0.60 1.41 0.98 0.00 0.00 173.24 175.49 1dp0 n HIS 391 N 6.51 0.54 -3.61 5.02 -0.00 -1.26 -4.16 115.22 118.26 1dp0 n HIS 391 Ca 0.14 -3.71 -0.02 0.00 -0.00 0.00 0.00 57.72 54.12 1dp0 n HIS 391 Cb 0.45 -0.40 -0.01 0.00 -0.00 0.00 0.00 29.99 30.02 1dp0 n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 1dp0 s TYR 392 N -1.67 -0.08 0.47 4.41 -0.85 -0.28 -4.25 117.35 115.11 1dp0 s TYR 392 Ca 0.37 0.03 -0.24 0.00 -0.52 0.00 0.00 57.07 56.71 1dp0 s TYR 392 Cb 0.20 0.52 -0.07 0.00 0.38 0.00 0.00 41.96 42.99 1dp0 s TYR 392 CO -0.09 -0.18 1.29 -2.14 -1.52 0.00 0.00 175.55 172.90 1dp0 s PRO 393 N -2.34 3.61 0.59 -3.49 0.02 -0.91 -4.55 135.00 127.94 1dp0 s PRO 393 Ca 0.11 2.09 0.05 0.00 0.02 0.00 0.00 61.00 63.27 1dp0 s PRO 393 Cb 0.01 -2.48 0.08 0.00 0.02 0.00 0.00 34.50 32.13 1dp0 s PRO 393 CO -0.04 -0.76 0.82 -0.80 -0.33 0.00 0.00 177.00 175.88 1dp0 s ASN 394 N -0.97 4.98 0.32 2.53 0.02 -1.26 -4.85 114.94 115.71 1dp0 s ASN 394 Ca 0.64 -0.51 -0.28 0.00 -1.02 0.00 0.00 52.86 51.68 1dp0 s ASN 394 Cb -0.36 -0.12 -0.13 0.00 0.02 0.00 0.00 41.25 40.66 1dp0 s ASN 394 CO 0.45 -1.39 1.28 1.57 0.02 0.00 0.00 177.10 179.03 1dp0 n HIS 395 N -2.38 2.18 0.06 2.20 -0.00 -1.26 -4.85 115.22 111.16 1dp0 n HIS 395 Ca 0.13 0.55 0.16 0.00 -0.00 0.00 0.00 57.72 58.56 1dp0 n HIS 395 Cb 0.61 -2.41 0.65 0.00 -0.00 0.00 0.00 29.99 28.84 1dp0 n HIS 395 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1dp0 h PRO 396 N 2.70 0.05 0.00 1.57 0.13 -1.96 -1.70 132.00 132.79 1dp0 h PRO 396 Ca -0.45 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1dp0 h PRO 396 Cb 1.29 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1dp0 h PRO 396 CO 0.64 0.03 -0.08 1.25 -0.23 0.00 0.00 178.00 179.61 1dp0 h LEU 397 N 0.05 0.00 -0.60 1.56 5.85 -2.01 -2.88 115.31 117.28 1dp0 h LEU 397 Ca 0.19 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.95 1dp0 h LEU 397 Cb 0.69 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.67 1dp0 h LEU 397 CO -0.01 0.08 0.34 -0.25 -0.34 0.00 0.00 178.44 178.26 1dp0 h TRP 398 N 0.00 0.63 -0.68 1.25 2.91 -1.66 -0.77 115.95 117.63 1dp0 h TRP 398 Ca -0.00 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.96 1dp0 h TRP 398 Cb 0.53 -0.20 -0.03 0.00 -0.51 0.00 0.00 29.16 28.95 1dp0 h TRP 398 CO 0.00 0.32 0.11 1.88 -1.03 0.00 0.00 178.44 179.72 1dp0 h TYR 399 N 0.65 1.19 -0.65 2.65 -1.99 -1.67 -0.20 116.97 116.95 1dp0 h TYR 399 Ca 0.26 -0.17 -0.02 0.00 2.00 0.00 0.00 58.73 60.80 1dp0 h TYR 399 Cb 0.12 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 38.49 1dp0 h TYR 399 CO -0.08 0.99 0.32 1.15 -0.00 0.00 0.00 178.16 180.55 1dp0 h THR 400 N 1.05 1.22 -0.48 -2.88 2.02 -1.46 0.67 112.91 113.05 1dp0 h THR 400 Ca 0.21 -0.60 -0.09 0.00 0.77 0.00 0.00 66.41 66.70 1dp0 h THR 400 Cb 0.45 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1dp0 h THR 400 CO 0.01 0.25 -0.04 -0.07 0.37 0.00 0.00 175.52 176.05 1dp0 h LEU 401 N 0.89 0.87 -0.85 2.58 3.38 -0.84 -1.41 115.31 119.92 1dp0 h LEU 401 Ca 0.22 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1dp0 h LEU 401 Cb 0.10 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1dp0 h LEU 401 CO -0.03 0.98 0.22 0.00 0.09 0.00 0.00 178.44 179.70 1dp0 h ASP 403 N 1.03 0.43 0.50 0.00 3.32 -0.61 -0.21 116.42 120.87 1dp0 h ASP 403 Ca 0.23 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.98 1dp0 h ASP 403 Cb 0.29 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.76 1dp0 h ASP 403 CO -0.01 0.30 -1.39 0.03 -1.72 0.00 0.00 179.24 176.46 1dp0 h ARG 404 N 0.53 0.32 0.00 3.56 3.08 -0.73 -3.32 114.38 117.82 1dp0 h ARG 404 Ca 0.18 -0.54 -0.17 0.00 0.07 0.00 0.00 59.98 59.51 1dp0 h ARG 404 Cb 0.01 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1dp0 h ARG 404 CO -0.08 1.23 -1.04 1.88 -1.07 0.00 0.00 179.97 180.89 1dp0 h TYR 405 N 0.09 0.00 -1.21 3.04 -1.99 -0.49 -3.46 116.97 112.95 1dp0 h TYR 405 Ca -0.19 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.54 1dp0 h TYR 405 Cb 2.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.76 1dp0 h TYR 405 CO 0.08 0.72 0.00 0.41 -0.00 0.00 0.00 178.16 179.36 1dp0 n GLY 406 N 1.35 -0.86 3.01 3.88 0.00 -0.14 -4.79 105.19 107.64 1dp0 n GLY 406 Ca -0.04 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 1dp0 n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dp0 s LEU 407 N -0.12 1.48 0.21 0.99 1.43 -0.93 -4.66 118.68 117.08 1dp0 s LEU 407 Ca 0.00 0.28 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 1dp0 s LEU 407 Cb 0.00 0.47 -0.08 0.00 0.03 0.00 0.00 46.19 46.61 1dp0 s LEU 407 CO 0.00 -0.05 1.03 -0.31 0.23 0.00 0.00 176.35 177.25 1dp0 s TYR 408 N 0.07 3.74 0.01 0.29 4.12 -0.03 -4.71 117.35 120.84 1dp0 s TYR 408 Ca -0.00 1.75 0.06 0.00 0.02 0.00 0.00 57.07 58.90 1dp0 s TYR 408 Cb -0.01 -3.15 -0.02 0.00 -1.52 0.00 0.00 41.96 37.26 1dp0 s TYR 408 CO 0.00 -0.14 -0.20 0.08 0.02 0.00 0.00 175.55 175.31 1dp0 s VAL 409 N -0.67 1.56 -0.37 0.71 1.01 0.91 -0.11 120.40 123.44 1dp0 s VAL 409 Ca 0.45 -0.96 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1dp0 s VAL 409 Cb -0.28 -1.32 0.01 0.00 0.00 0.00 0.00 36.38 34.80 1dp0 s VAL 409 CO 0.34 0.34 0.23 -0.69 0.00 0.00 0.00 175.10 175.33 1dp0 s VAL 410 N -0.58 4.91 -0.21 2.92 1.01 -0.37 -1.24 120.40 126.83 1dp0 s VAL 410 Ca 0.07 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.27 1dp0 s VAL 410 Cb -0.08 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 1dp0 s VAL 410 CO 0.00 -0.18 0.36 -0.62 0.00 0.00 0.00 175.10 174.66 1dp0 s ASP 411 N 1.63 6.38 -0.09 3.32 2.15 -0.76 -1.10 116.67 128.21 1dp0 s ASP 411 Ca 0.04 0.45 0.04 0.00 0.43 0.00 0.00 52.55 53.50 1dp0 s ASP 411 Cb -0.19 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.23 1dp0 s ASP 411 CO 0.08 -0.06 -0.20 -0.70 -0.17 0.00 0.00 175.17 174.12 1dp0 s GLU 412 N 1.29 2.60 0.52 4.34 2.12 -1.26 -0.30 118.70 128.01 1dp0 s GLU 412 Ca 0.17 -0.74 -0.22 0.00 0.36 0.00 0.00 54.97 54.54 1dp0 s GLU 412 Cb -0.15 -2.01 -0.05 0.00 0.26 0.00 0.00 34.13 32.18 1dp0 s GLU 412 CO 0.07 0.15 1.33 0.00 -0.54 0.00 0.00 175.26 176.27 1dp0 s ALA 413 N 0.40 2.87 -1.39 6.30 0.00 -0.59 -2.14 121.76 127.22 1dp0 s ALA 413 Ca -0.17 1.27 -0.15 0.00 0.00 0.00 0.00 51.96 52.92 1dp0 s ALA 413 Cb -0.17 -3.54 0.06 0.00 0.00 0.00 0.00 23.12 19.48 1dp0 s ALA 413 CO 0.07 -1.24 2.02 -1.71 0.00 0.00 0.00 175.76 174.90 1dp0 n ASN 414 N -0.88 4.36 -3.65 0.00 5.15 -1.26 -4.03 115.26 114.95 1dp0 n ASN 414 Ca 0.09 -2.89 -0.25 0.00 -0.60 0.00 0.00 54.58 50.93 1dp0 n ASN 414 Cb 0.45 -1.67 -0.17 0.00 -0.53 0.00 0.00 39.78 37.86 1dp0 n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1dp0 s ILE 415 N 3.26 0.03 -0.13 -1.44 1.01 -1.25 -4.77 121.20 117.91 1dp0 s ILE 415 Ca 0.49 -0.13 -0.05 0.00 0.00 0.00 0.00 60.65 60.95 1dp0 s ILE 415 Cb 0.10 -0.59 0.07 0.00 0.01 0.00 0.00 42.46 42.04 1dp0 s ILE 415 CO -0.02 -0.18 0.27 -0.70 0.00 0.00 0.00 174.94 174.31 1dp0 s GLU 416 N 2.09 0.16 -0.32 2.79 2.12 -0.19 -1.17 118.70 124.18 1dp0 s GLU 416 Ca 0.02 0.77 0.11 0.00 0.36 0.00 0.00 54.97 56.22 1dp0 s GLU 416 Cb -0.15 -0.01 0.46 0.00 0.26 0.00 0.00 34.13 34.68 1dp0 s GLU 416 CO -0.08 -0.28 1.14 0.25 -0.54 0.00 0.00 175.26 175.75 1dp0 n THR 417 N 5.35 2.12 -0.23 -1.70 -2.24 -1.03 -1.29 114.28 115.27 1dp0 n THR 417 Ca -0.06 -4.02 0.17 0.00 -2.27 0.00 0.00 64.05 57.87 1dp0 n THR 417 Cb 0.50 -0.54 0.49 0.00 -2.10 0.00 0.00 70.33 68.68 1dp0 n THR 417 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1dp0 h HIS 418 N 2.42 0.57 0.00 4.78 6.17 -1.46 -2.02 115.15 125.61 1dp0 h HIS 418 Ca 0.22 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.31 1dp0 h HIS 418 Cb 1.33 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 31.08 1dp0 h HIS 418 CO 0.75 0.17 0.00 0.41 0.71 0.00 0.00 177.93 179.97 1dp0 n GLY 419 N -1.50 -1.07 3.77 5.26 0.00 -1.22 -4.78 105.19 105.65 1dp0 n GLY 419 Ca 0.18 -0.12 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1dp0 n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dp0 s MET 420 N -2.52 2.47 -0.14 1.61 -1.94 -0.76 -4.78 119.30 113.24 1dp0 s MET 420 Ca 0.25 1.20 0.00 0.00 -1.71 0.00 0.00 55.69 55.43 1dp0 s MET 420 Cb 0.16 -1.92 0.03 0.00 2.01 0.00 0.00 34.83 35.11 1dp0 s MET 420 CO 0.37 -1.48 -0.11 0.08 -0.01 0.00 0.00 175.02 173.87 1dp0 s VAL 421 N -2.77 1.36 1.12 -6.03 1.01 -1.26 -3.30 120.40 110.53 1dp0 s VAL 421 Ca 0.62 -0.55 -0.15 0.00 0.00 0.00 0.00 61.98 61.91 1dp0 s VAL 421 Cb -0.18 -1.34 0.25 0.00 0.00 0.00 0.00 36.38 35.12 1dp0 s VAL 421 CO 0.52 0.38 1.07 -2.16 0.00 0.00 0.00 175.10 174.91 1dp0 s PRO 422 N 1.57 -0.52 0.52 2.72 0.04 -1.26 -4.82 135.00 133.25 1dp0 s PRO 422 Ca 0.04 0.39 0.22 0.00 0.04 0.00 0.00 61.00 61.69 1dp0 s PRO 422 Cb -0.13 -1.64 1.41 0.00 0.04 0.00 0.00 34.50 34.18 1dp0 s PRO 422 CO -0.09 -3.34 2.13 1.98 0.04 0.00 0.00 177.00 177.72 1dp0 h MET 423 N -2.33 0.00 -0.73 4.56 4.05 -1.86 -2.08 114.93 116.55 1dp0 h MET 423 Ca -0.54 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 1dp0 h MET 423 Cb 1.33 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.13 1dp0 h MET 423 CO 0.49 0.06 0.00 0.27 0.23 0.00 0.00 176.91 177.97 1dp0 n ASN 424 N -4.13 3.92 -0.22 1.39 6.94 -1.25 -4.02 115.26 117.89 1dp0 n ASN 424 Ca -0.03 -2.56 0.07 0.00 -0.02 0.00 0.00 54.58 52.04 1dp0 n ASN 424 Cb 0.15 -0.61 0.34 0.00 -2.36 0.00 0.00 39.78 37.30 1dp0 n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1dp0 h ARG 425 N 2.51 0.77 0.13 -3.83 2.43 -1.68 0.20 114.38 114.90 1dp0 h ARG 425 Ca 0.00 -0.05 -0.34 0.00 -0.81 0.00 0.00 59.98 58.78 1dp0 h ARG 425 Cb 1.40 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.77 1dp0 h ARG 425 CO 0.30 0.51 -1.81 -0.07 -1.51 0.00 0.00 179.97 177.39 1dp0 h LEU 426 N 0.79 0.44 -0.54 3.80 3.38 -1.86 -3.35 115.31 117.97 1dp0 h LEU 426 Ca 0.35 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1dp0 h LEU 426 Cb 0.34 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1dp0 h LEU 426 CO -0.13 1.68 0.00 0.35 0.09 0.00 0.00 178.44 180.43 1dp0 n THR 427 N -3.47 0.76 0.85 0.22 -2.24 -0.92 -1.73 114.28 107.75 1dp0 n THR 427 Ca -0.25 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 1dp0 n THR 427 Cb 1.06 -1.01 0.23 0.00 -2.10 0.00 0.00 70.33 68.51 1dp0 n THR 427 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1dp0 n ASP 428 N -2.29 2.80 -4.56 3.42 2.03 0.01 -1.71 116.55 116.25 1dp0 n ASP 428 Ca 0.03 -1.90 -0.40 0.00 0.52 0.00 0.00 54.79 53.05 1dp0 n ASP 428 Cb 0.29 -0.10 -0.10 0.00 -0.72 0.00 0.00 41.12 40.49 1dp0 n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1dp0 s ASP 429 N -1.76 6.10 0.63 1.67 -1.08 -0.70 -4.60 116.67 116.92 1dp0 s ASP 429 Ca 0.34 -0.17 0.41 0.00 -0.52 0.00 0.00 52.55 52.61 1dp0 s ASP 429 Cb 0.21 -2.16 2.12 0.00 -1.46 0.00 0.00 42.92 41.63 1dp0 s ASP 429 CO 0.31 -0.20 2.25 1.55 0.52 0.00 0.00 175.17 179.59 1dp0 h PRO 430 N 8.41 0.00 0.00 4.34 0.13 -1.91 0.12 132.00 143.10 1dp0 h PRO 430 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1dp0 h PRO 430 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 1dp0 h PRO 430 CO 0.63 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 1dp0 h ARG 431 N 0.00 0.00 -0.03 0.86 3.08 -1.93 -1.79 114.38 114.57 1dp0 h ARG 431 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1dp0 h ARG 431 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1dp0 h ARG 431 CO 0.00 0.00 -0.01 0.91 -1.07 0.00 0.00 179.97 179.80 1dp0 n TRP 432 N -2.31 0.00 -0.27 3.04 7.02 0.41 -4.48 117.44 120.86 1dp0 n TRP 432 Ca 0.02 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.45 1dp0 n TRP 432 Cb 0.25 -0.00 0.06 0.00 -2.42 0.00 0.00 31.31 29.20 1dp0 n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 1dp0 h LEU 433 N 4.59 0.87 0.18 -0.99 5.85 -1.28 -1.37 115.31 123.16 1dp0 h LEU 433 Ca 0.00 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 1dp0 h LEU 433 Cb 0.98 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 1dp0 h LEU 433 CO 0.00 0.66 -0.16 -0.65 -0.34 0.00 0.00 178.44 177.95 1dp0 h PRO 434 N 1.00 -0.35 -0.78 5.25 0.11 -1.78 0.81 132.00 136.27 1dp0 h PRO 434 Ca 0.27 0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.40 1dp0 h PRO 434 Cb -0.06 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 31.09 1dp0 h PRO 434 CO -0.05 -0.23 0.48 0.00 -0.21 0.00 0.00 178.00 177.99 1dp0 h ALA 435 N 0.43 0.99 -0.52 -0.75 0.00 -1.74 -1.84 119.26 115.84 1dp0 h ALA 435 Ca -0.00 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1dp0 h ALA 435 Cb 0.33 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1dp0 h ALA 435 CO -0.03 0.45 -0.11 0.52 0.00 0.00 0.00 179.25 180.08 1dp0 h MET 436 N 1.07 0.98 -0.87 0.00 2.86 -0.74 -2.96 114.93 115.27 1dp0 h MET 436 Ca 0.28 -0.36 0.10 0.00 -2.06 0.00 0.00 59.70 57.66 1dp0 h MET 436 Cb -0.06 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.46 1dp0 h MET 436 CO -0.05 1.03 0.51 0.66 1.06 0.00 0.00 176.91 180.12 1dp0 h SER 437 N 0.87 0.73 0.57 1.22 4.64 0.13 -1.24 113.55 120.48 1dp0 h SER 437 Ca 0.14 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.45 1dp0 h SER 437 Cb 0.67 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1dp0 h SER 437 CO 0.05 0.41 -0.27 -0.33 -0.87 0.00 0.00 176.83 175.81 1dp0 h GLU 438 N 0.84 0.00 -0.14 4.77 5.08 -1.19 0.38 114.58 124.31 1dp0 h GLU 438 Ca 0.43 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.66 1dp0 h GLU 438 Cb 0.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1dp0 h GLU 438 CO -0.26 0.27 -0.45 0.00 -1.00 0.00 0.00 179.01 177.57 1dp0 h ARG 439 N 0.00 0.36 0.00 2.33 3.08 -1.18 -2.07 114.38 116.89 1dp0 h ARG 439 Ca -0.00 -0.19 -0.09 0.00 0.07 0.00 0.00 59.98 59.77 1dp0 h ARG 439 Cb 0.63 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1dp0 h ARG 439 CO 0.04 0.74 -0.50 0.28 -1.07 0.00 0.00 179.97 179.46 1dp0 h VAL 440 N 0.29 1.46 -0.71 2.04 2.07 -0.92 -3.32 116.25 117.16 1dp0 h VAL 440 Ca 0.02 -2.29 -0.07 0.00 0.82 0.00 0.00 66.70 65.18 1dp0 h VAL 440 Cb 0.92 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.61 1dp0 h VAL 440 CO 0.08 0.50 0.16 0.71 0.02 0.00 0.00 177.57 179.04 1dp0 h THR 441 N -0.98 1.26 0.00 2.57 1.35 -0.32 -2.49 112.91 114.31 1dp0 h THR 441 Ca -0.14 -0.99 -0.05 0.00 -0.55 0.00 0.00 66.41 64.68 1dp0 h THR 441 Cb 1.14 0.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 1dp0 h THR 441 CO -0.07 0.38 -0.25 0.03 -0.25 0.00 0.00 175.52 175.36 1dp0 h ARG 442 N 1.07 0.00 -0.10 4.72 3.08 -1.58 -0.86 114.38 120.72 1dp0 h ARG 442 Ca 0.22 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.17 1dp0 h ARG 442 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1dp0 h ARG 442 CO 0.00 0.25 -0.34 1.98 -1.07 0.00 0.00 179.97 180.80 1dp0 h MET 443 N 0.00 0.40 -0.50 0.04 4.05 -1.56 -2.43 114.93 114.94 1dp0 h MET 443 Ca -0.00 -0.30 -0.05 0.00 -0.28 0.00 0.00 59.70 59.07 1dp0 h MET 443 Cb 0.53 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 1dp0 h MET 443 CO 0.03 0.93 0.13 0.28 0.23 0.00 0.00 176.91 178.51 1dp0 h VAL 444 N -0.05 1.24 -0.44 -5.77 2.07 -1.23 -0.66 116.25 111.41 1dp0 h VAL 444 Ca -0.01 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1dp0 h VAL 444 Cb 0.97 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1dp0 h VAL 444 CO 0.07 0.30 0.26 1.56 0.02 0.00 0.00 177.57 179.78 1dp0 h GLN 445 N 0.68 0.59 0.19 1.57 4.20 -1.18 -2.01 115.11 119.14 1dp0 h GLN 445 Ca 0.16 -0.05 -0.31 0.00 0.06 0.00 0.00 58.65 58.51 1dp0 h GLN 445 Cb 0.31 -0.13 0.02 0.00 0.30 0.00 0.00 27.48 27.99 1dp0 h GLN 445 CO -0.00 0.41 -1.38 -0.09 -0.67 0.00 0.00 178.83 177.10 1dp0 h ARG 446 N 0.60 0.39 -0.06 1.46 2.43 -0.92 -3.09 114.38 115.18 1dp0 h ARG 446 Ca 0.16 -0.67 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 1dp0 h ARG 446 Cb -0.02 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1dp0 h ARG 446 CO -0.03 1.31 0.00 -0.25 -1.51 0.00 0.00 179.97 179.49 1dp0 n ASP 447 N -3.61 2.20 0.14 -3.80 8.00 -0.30 -4.27 116.55 114.92 1dp0 n ASP 447 Ca -0.13 -1.60 0.11 0.00 0.71 0.00 0.00 54.79 53.88 1dp0 n ASP 447 Cb 1.06 -0.03 0.52 0.00 -0.02 0.00 0.00 41.12 42.65 1dp0 n ASP 447 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1dp0 n ARG 448 N 0.72 0.15 -0.12 -1.24 1.85 -0.77 -1.74 116.66 115.51 1dp0 n ARG 448 Ca 0.08 0.56 0.11 0.00 -1.00 0.00 0.00 57.85 57.60 1dp0 n ARG 448 Cb 0.34 -1.90 0.29 0.00 -1.05 0.00 0.00 32.46 30.14 1dp0 n ARG 448 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1dp0 n ASN 449 N -2.20 2.51 -4.65 2.89 3.02 -1.26 -4.84 115.26 110.74 1dp0 n ASN 449 Ca -0.00 -1.85 -0.41 0.00 -0.03 0.00 0.00 54.58 52.29 1dp0 n ASN 449 Cb 0.09 -0.16 -0.05 0.00 -0.61 0.00 0.00 39.78 39.05 1dp0 n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1dp0 s HIS 450 N -1.67 3.33 0.45 3.10 3.76 -0.71 -4.88 115.29 118.68 1dp0 s HIS 450 Ca 0.35 0.98 0.13 0.00 -0.15 0.00 0.00 55.06 56.37 1dp0 s HIS 450 Cb 0.20 -2.90 1.02 0.00 1.11 0.00 0.00 32.58 32.01 1dp0 s HIS 450 CO 0.29 -0.29 2.03 -1.00 -0.85 0.00 0.00 174.74 174.92 1dp0 h PRO 451 N 7.65 0.10 -0.01 8.40 0.13 -1.87 -2.32 132.00 144.09 1dp0 h PRO 451 Ca -0.27 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1dp0 h PRO 451 Cb 1.12 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 1dp0 h PRO 451 CO 0.81 0.19 -0.12 0.66 -0.23 0.00 0.00 178.00 179.30 1dp0 h SER 452 N 0.10 0.02 -2.85 1.44 4.64 -1.87 -3.40 113.55 111.63 1dp0 h SER 452 Ca 0.02 -0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.78 1dp0 h SER 452 Cb 0.20 -0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1dp0 h SER 452 CO 0.01 0.14 0.94 -0.69 -0.87 0.00 0.00 176.83 176.36 1dp0 s VAL 453 N -4.77 4.12 -0.13 0.95 1.01 -0.87 -0.06 120.40 120.64 1dp0 s VAL 453 Ca -0.04 1.36 0.08 0.00 0.00 0.00 0.00 61.98 63.38 1dp0 s VAL 453 Cb 0.16 -3.88 -0.11 0.00 0.00 0.00 0.00 36.38 32.55 1dp0 s VAL 453 CO 0.69 -0.12 0.23 2.30 0.00 0.00 0.00 175.10 178.21 1dp0 n ILE 454 N 5.37 0.00 -3.83 2.22 -5.35 -0.37 -4.90 119.36 112.50 1dp0 n ILE 454 Ca 0.15 -0.23 -0.12 0.00 -0.27 0.00 0.00 62.75 62.27 1dp0 n ILE 454 Cb 0.44 0.54 -0.12 0.00 -1.74 0.00 0.00 39.64 38.76 1dp0 n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 1dp0 s ILE 455 N -2.29 0.01 -0.08 7.28 1.01 -1.21 -3.89 121.20 122.03 1dp0 s ILE 455 Ca -0.01 -0.04 -0.08 0.00 0.00 0.00 0.00 60.65 60.52 1dp0 s ILE 455 Cb 0.05 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.27 1dp0 s ILE 455 CO 0.33 -0.02 0.20 0.26 0.00 0.00 0.00 174.94 175.72 1dp0 s TRP 456 N -0.01 3.62 0.01 3.97 0.23 -0.62 -1.83 118.94 124.31 1dp0 s TRP 456 Ca -0.01 0.61 0.08 0.00 -2.03 0.00 0.00 56.10 54.75 1dp0 s TRP 456 Cb -0.01 -2.00 -0.02 0.00 0.03 0.00 0.00 33.47 31.46 1dp0 s TRP 456 CO 0.00 0.70 -0.26 0.45 0.96 0.00 0.00 176.95 178.81 1dp0 s SER 457 N -1.16 3.15 0.00 2.95 0.15 0.58 -0.57 113.70 118.80 1dp0 s SER 457 Ca 0.19 -0.51 0.20 0.00 0.70 0.00 0.00 55.95 56.52 1dp0 s SER 457 Cb -0.13 -0.34 1.19 0.00 -1.71 0.00 0.00 66.02 65.03 1dp0 s SER 457 CO 0.08 0.29 1.71 0.18 1.20 0.00 0.00 173.24 176.70 1dp0 n LEU 458 N 2.12 0.00 0.00 3.45 4.77 -0.98 -1.54 117.00 124.81 1dp0 n LEU 458 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 1dp0 n LEU 458 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1dp0 n LEU 458 CO 0.23 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1dp0 n GLY 459 N 0.69 0.56 3.33 -0.72 0.00 -1.26 -4.64 105.19 103.15 1dp0 n GLY 459 Ca 0.15 -2.05 -0.14 0.00 0.00 0.00 0.00 46.02 43.97 1dp0 n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dp0 s ASN 460 N -4.00 -0.36 -0.92 1.61 2.47 -0.31 -4.75 114.94 108.67 1dp0 s ASN 460 Ca 0.00 0.41 -0.23 0.00 0.42 0.00 0.00 52.86 53.46 1dp0 s ASN 460 Cb 0.00 0.49 0.03 0.00 -1.45 0.00 0.00 41.25 40.32 1dp0 s ASN 460 CO 0.00 -0.43 0.54 -0.62 -3.72 0.00 0.00 177.10 172.87 1dp0 n GLU 461 N 1.50 -0.56 -0.92 0.43 1.02 -1.26 -3.99 120.64 116.87 1dp0 n GLU 461 Ca -0.19 0.10 0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1dp0 n GLU 461 Cb 0.56 -1.81 0.09 0.00 -0.02 0.00 0.00 31.44 30.27 1dp0 n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1dp0 n SER 462 N -1.68 1.25 0.00 1.62 7.64 -1.26 -1.34 113.62 119.85 1dp0 n SER 462 Ca -0.13 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 56.99 1dp0 n SER 462 Cb 0.48 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1dp0 n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1dp0 n GLY 463 N -0.32 0.70 2.87 0.23 0.00 -1.26 -3.97 105.19 103.46 1dp0 n GLY 463 Ca 0.11 -0.79 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 1dp0 n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dp0 s HIS 464 N 0.00 1.65 0.29 1.61 2.46 -1.26 -3.57 115.29 116.47 1dp0 s HIS 464 Ca 0.00 -1.08 0.07 0.00 0.47 0.00 0.00 55.06 54.51 1dp0 s HIS 464 Cb 0.00 -1.29 -0.06 0.00 -0.13 0.00 0.00 32.58 31.10 1dp0 s HIS 464 CO 0.00 -0.62 -0.05 0.20 -2.47 0.00 0.00 174.74 171.80 1dp0 s GLY 465 N 1.65 1.89 0.56 1.59 0.00 -1.26 -4.83 107.32 106.92 1dp0 s GLY 465 Ca 0.00 -1.94 0.28 0.00 0.00 0.00 0.00 44.72 43.06 1dp0 s GLY 465 CO -0.07 -1.86 2.19 0.00 0.00 0.00 0.00 173.10 173.35 1dp0 h ALA 466 N 2.23 1.46 -0.24 3.20 0.00 -1.80 0.33 119.26 124.43 1dp0 h ALA 466 Ca -0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1dp0 h ALA 466 Cb 1.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1dp0 h ALA 466 CO 0.68 0.06 0.14 -0.91 0.00 0.00 0.00 179.25 179.22 1dp0 h ASN 467 N 0.00 0.28 -0.22 0.00 2.35 -1.64 -1.84 115.58 114.50 1dp0 h ASN 467 Ca -0.00 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 1dp0 h ASN 467 Cb 0.12 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1dp0 h ASN 467 CO 0.01 0.22 0.08 0.45 -1.65 0.00 0.00 177.43 176.53 1dp0 h HIS 468 N 0.32 0.35 -0.80 1.19 3.86 -1.11 -1.77 115.15 117.20 1dp0 h HIS 468 Ca 0.09 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.28 1dp0 h HIS 468 Cb -0.01 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.32 1dp0 h HIS 468 CO 0.00 0.40 0.52 -0.44 0.86 0.00 0.00 177.93 179.28 1dp0 h ASP 469 N 0.19 0.89 -0.60 2.45 3.32 -1.32 0.47 116.42 121.82 1dp0 h ASP 469 Ca 0.07 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 1dp0 h ASP 469 Cb 0.21 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1dp0 h ASP 469 CO -0.00 0.63 0.35 0.00 -1.72 0.00 0.00 179.24 178.49 1dp0 h ALA 470 N 1.31 0.77 -0.16 3.45 0.00 -1.22 -1.70 119.26 121.71 1dp0 h ALA 470 Ca 0.31 -0.09 -0.20 0.00 0.00 0.00 0.00 54.91 54.93 1dp0 h ALA 470 Cb -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.49 1dp0 h ALA 470 CO -0.09 0.26 -0.71 -0.07 0.00 0.00 0.00 179.25 178.65 1dp0 h LEU 471 N 0.81 0.79 -0.43 0.00 3.38 -0.93 -1.68 115.31 117.25 1dp0 h LEU 471 Ca 0.21 -0.49 0.05 0.00 0.09 0.00 0.00 57.88 57.74 1dp0 h LEU 471 Cb 0.01 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 1dp0 h LEU 471 CO -0.04 1.27 0.18 0.22 0.09 0.00 0.00 178.44 180.16 1dp0 h TYR 472 N 0.48 0.33 -0.42 1.13 3.20 0.22 -1.77 116.97 120.13 1dp0 h TYR 472 Ca -0.03 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.78 1dp0 h TYR 472 Cb 1.31 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 1dp0 h TYR 472 CO 0.07 0.15 -0.06 -0.09 -1.64 0.00 0.00 178.16 176.58 1dp0 h ARG 473 N 0.37 0.73 -0.36 1.82 9.65 -1.07 -1.56 114.38 123.95 1dp0 h ARG 473 Ca 0.19 -0.21 0.02 0.00 -1.10 0.00 0.00 59.98 58.88 1dp0 h ARG 473 Cb 0.15 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.63 1dp0 h ARG 473 CO -0.17 0.78 0.20 2.35 2.80 0.00 0.00 179.97 185.93 1dp0 h TRP 474 N 0.67 0.37 -0.11 2.20 7.01 -0.85 -0.65 115.95 124.59 1dp0 h TRP 474 Ca 0.12 0.01 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 1dp0 h TRP 474 Cb 0.51 -0.11 -0.00 0.00 -2.10 0.00 0.00 29.16 27.45 1dp0 h TRP 474 CO 0.02 0.21 0.05 0.82 -2.79 0.00 0.00 178.44 176.76 1dp0 h ILE 475 N 0.41 1.10 -0.85 2.65 2.04 -0.98 0.11 117.51 121.99 1dp0 h ILE 475 Ca 0.15 -0.30 0.18 0.00 1.00 0.00 0.00 64.86 65.89 1dp0 h ILE 475 Cb 0.03 1.11 -0.06 0.00 -0.74 0.00 0.00 36.82 37.16 1dp0 h ILE 475 CO -0.08 0.09 0.56 0.11 0.00 0.00 0.00 178.15 178.83 1dp0 h LYS 476 N 0.06 0.42 0.01 2.37 1.79 -1.08 0.52 116.57 120.67 1dp0 h LYS 476 Ca 0.04 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.37 1dp0 h LYS 476 Cb 0.10 -0.10 0.01 0.00 -1.58 0.00 0.00 32.23 30.66 1dp0 h LYS 476 CO -0.01 0.28 -0.42 1.03 -1.08 0.00 0.00 179.45 179.26 1dp0 h SER 477 N 0.44 0.36 1.28 0.86 0.87 -0.24 -3.30 113.55 113.82 1dp0 h SER 477 Ca 0.43 -0.78 -0.12 0.00 -1.23 0.00 0.00 61.79 60.09 1dp0 h SER 477 Cb 1.01 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.84 1dp0 h SER 477 CO -0.16 1.10 -0.56 -0.37 -0.53 0.00 0.00 176.83 176.31 1dp0 h VAL 478 N -0.34 1.01 -2.25 2.23 -1.51 -0.24 -3.41 116.25 111.74 1dp0 h VAL 478 Ca -0.05 -2.28 -0.47 0.00 -1.23 0.00 0.00 66.70 62.66 1dp0 h VAL 478 Cb 1.17 2.40 -0.35 0.00 -2.13 0.00 0.00 31.29 32.38 1dp0 h VAL 478 CO 0.08 0.55 -0.76 -0.62 -1.23 0.00 0.00 177.57 175.59 1dp0 s ASP 479 N -6.50 2.02 0.00 4.19 2.15 0.12 -4.96 116.67 113.69 1dp0 s ASP 479 Ca 0.03 -1.86 0.27 0.00 0.43 0.00 0.00 52.55 51.41 1dp0 s ASP 479 Cb 0.09 0.11 1.53 0.00 -0.30 0.00 0.00 42.92 44.34 1dp0 s ASP 479 CO 0.75 -0.28 1.94 -2.65 -0.17 0.00 0.00 175.17 174.75 1dp0 n PRO 480 N 4.16 0.71 0.05 4.34 -0.02 -1.24 -3.45 135.00 139.54 1dp0 n PRO 480 Ca 0.11 0.01 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 1dp0 n PRO 480 Cb 0.41 -1.50 0.48 0.00 -0.02 0.00 0.00 33.50 32.87 1dp0 n PRO 480 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dp0 n SER 481 N -1.08 0.32 -3.94 2.55 3.41 -1.26 -4.79 113.62 108.83 1dp0 n SER 481 Ca 0.18 0.55 -0.12 0.00 -0.26 0.00 0.00 58.87 59.22 1dp0 n SER 481 Cb 0.13 -0.63 -0.13 0.00 -0.26 0.00 0.00 64.21 63.32 1dp0 n SER 481 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1dp0 s ARG 482 N -3.08 0.24 0.70 4.33 0.52 -1.22 -4.22 118.95 116.22 1dp0 s ARG 482 Ca 0.10 -0.31 -0.15 0.00 -0.52 0.00 0.00 55.73 54.86 1dp0 s ARG 482 Cb 0.14 -0.09 0.02 0.00 0.52 0.00 0.00 34.95 35.53 1dp0 s ARG 482 CO 0.47 0.02 1.14 -2.14 0.02 0.00 0.00 175.30 174.81 1dp0 s PRO 483 N -0.63 2.49 -0.13 3.54 0.02 -1.25 -4.78 135.00 134.26 1dp0 s PRO 483 Ca -0.05 1.52 -0.01 0.00 0.02 0.00 0.00 61.00 62.48 1dp0 s PRO 483 Cb -0.04 -1.90 -0.02 0.00 0.02 0.00 0.00 34.50 32.56 1dp0 s PRO 483 CO -0.00 -1.52 -0.11 0.08 -0.33 0.00 0.00 177.00 175.12 1dp0 s VAL 484 N -2.25 3.26 0.23 3.83 1.01 -1.26 -1.59 120.40 123.63 1dp0 s VAL 484 Ca 0.69 -0.59 0.06 0.00 0.00 0.00 0.00 61.98 62.14 1dp0 s VAL 484 Cb -0.23 -2.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1dp0 s VAL 484 CO 0.44 0.52 -0.08 0.00 0.00 0.00 0.00 175.10 175.98 1dp0 s GLN 485 N 0.24 1.37 -0.29 2.72 -2.07 0.26 -0.26 119.66 121.63 1dp0 s GLN 485 Ca -0.07 -1.65 -0.17 0.00 -1.82 0.00 0.00 55.36 51.65 1dp0 s GLN 485 Cb -0.15 -0.96 0.15 0.00 -1.09 0.00 0.00 33.01 30.95 1dp0 s GLN 485 CO 0.05 0.06 0.99 -0.47 -1.32 0.00 0.00 175.29 174.59 1dp0 s TYR 486 N -3.13 -0.55 -0.29 9.60 5.04 -1.26 -2.32 117.35 124.43 1dp0 s TYR 486 Ca 0.25 1.12 0.23 0.00 -2.44 0.00 0.00 57.07 56.23 1dp0 s TYR 486 Cb 0.03 0.34 -0.04 0.00 0.35 0.00 0.00 41.96 42.64 1dp0 s TYR 486 CO 0.08 -0.27 0.94 -1.91 -1.34 0.00 0.00 175.55 173.05 1dp0 n GLU 487 N 3.60 0.53 -1.25 4.97 0.00 -1.26 -4.66 120.64 122.57 1dp0 n GLU 487 Ca -0.18 0.03 -0.35 0.00 0.00 0.00 0.00 57.16 56.66 1dp0 n GLU 487 Cb 0.57 -1.71 0.11 0.00 0.00 0.00 0.00 31.44 30.41 1dp0 n GLU 487 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1dp0 n GLY 488 N 1.24 -0.21 2.22 8.31 0.00 -1.26 -0.01 105.19 115.48 1dp0 n GLY 488 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 46.02 45.54 1dp0 n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 489 N 0.84 0.91 0.00 -0.02 0.00 -1.23 -3.89 105.19 101.80 1dp0 n GLY 489 Ca 0.13 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1dp0 n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 490 N -1.99 0.96 3.76 -0.02 0.00 -1.19 -4.72 105.19 101.99 1dp0 n GLY 490 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1dp0 n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dp0 n ALA 491 N -0.65 0.00 -2.61 4.61 0.00 0.99 -4.70 120.51 118.16 1dp0 n ALA 491 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1dp0 n ALA 491 Cb 0.00 -0.53 0.03 0.00 0.00 0.00 0.00 19.45 18.95 1dp0 n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1dp0 n ASP 492 N 0.00 1.12 -3.11 0.00 5.75 -1.26 -2.17 116.55 116.89 1dp0 n ASP 492 Ca 0.00 -2.01 -0.17 0.00 -0.01 0.00 0.00 54.79 52.60 1dp0 n ASP 492 Cb 0.00 -0.34 0.13 0.00 -1.03 0.00 0.00 41.12 39.88 1dp0 n ASP 492 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1dp0 n THR 493 N 0.09 0.00 1.60 2.12 -2.24 -1.26 -4.90 114.28 109.68 1dp0 n THR 493 Ca 0.05 -0.44 0.09 0.00 -2.27 0.00 0.00 64.05 61.49 1dp0 n THR 493 Cb 1.02 -1.45 0.54 0.00 -2.10 0.00 0.00 70.33 68.33 1dp0 n THR 493 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1dp0 n THR 494 N -3.43 0.00 -0.91 4.28 -2.24 -1.26 -2.89 114.28 107.83 1dp0 n THR 494 Ca 0.09 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.95 1dp0 n THR 494 Cb 0.34 -0.46 0.33 0.00 -2.10 0.00 0.00 70.33 68.44 1dp0 n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dp0 n ALA 495 N -0.85 3.38 -3.51 6.98 0.00 -1.26 -4.95 120.51 120.30 1dp0 n ALA 495 Ca 0.14 -2.06 -0.13 0.00 0.00 0.00 0.00 53.44 51.38 1dp0 n ALA 495 Cb 0.06 -0.91 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 1dp0 n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1dp0 s THR 496 N -2.68 -0.04 -1.20 0.00 -1.32 -1.14 -4.12 115.64 105.14 1dp0 s THR 496 Ca 0.48 0.13 0.27 0.00 -1.21 0.00 0.00 61.69 61.35 1dp0 s THR 496 Cb 0.37 -0.19 0.16 0.00 -1.51 0.00 0.00 72.50 71.33 1dp0 s THR 496 CO 0.13 0.05 1.61 0.47 -2.21 0.00 0.00 174.62 174.68 1dp0 n ASP 497 N 3.83 0.46 -4.05 8.08 8.00 0.64 -4.83 116.55 128.69 1dp0 n ASP 497 Ca -0.22 -0.23 -0.22 0.00 0.71 0.00 0.00 54.79 54.83 1dp0 n ASP 497 Cb 0.54 0.03 -0.15 0.00 -0.02 0.00 0.00 41.12 41.51 1dp0 n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1dp0 s ILE 498 N -2.85 0.97 -0.30 0.53 1.01 -1.26 -4.55 121.20 114.75 1dp0 s ILE 498 Ca 0.16 -0.48 -0.29 0.00 0.00 0.00 0.00 60.65 60.05 1dp0 s ILE 498 Cb 0.18 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.81 1dp0 s ILE 498 CO 0.61 0.29 1.37 -0.63 0.00 0.00 0.00 174.94 176.58 1dp0 s ILE 499 N 0.05 4.03 -0.48 2.92 1.01 0.09 -4.68 121.20 124.13 1dp0 s ILE 499 Ca -0.01 1.15 0.08 0.00 0.00 0.00 0.00 60.65 61.87 1dp0 s ILE 499 Cb -0.08 -4.08 0.35 0.00 0.01 0.00 0.00 42.46 38.66 1dp0 s ILE 499 CO 0.01 -0.48 0.87 0.00 0.00 0.00 0.00 174.94 175.34 1dp0 s PRO 501 N -3.06 0.44 -0.12 0.00 0.04 -1.26 -3.44 135.00 127.60 1dp0 s PRO 501 Ca 0.45 1.22 0.03 0.00 0.04 0.00 0.00 61.00 62.74 1dp0 s PRO 501 Cb 0.32 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 33.18 1dp0 s PRO 501 CO -0.11 -2.92 -0.21 0.00 0.04 0.00 0.00 177.00 173.79 1dp0 s MET 502 N -4.63 3.08 -0.80 4.56 0.23 -1.26 -1.01 119.30 119.47 1dp0 s MET 502 Ca 0.67 -0.84 0.00 0.00 -1.03 0.00 0.00 55.69 54.48 1dp0 s MET 502 Cb -0.23 -2.41 0.00 0.00 -1.53 0.00 0.00 34.83 30.66 1dp0 s MET 502 CO 0.60 0.09 0.00 0.66 -2.03 0.00 0.00 175.02 174.34 1dp0 n TYR 503 N 3.79 0.00 -2.21 3.16 4.02 0.26 -4.96 117.16 121.23 1dp0 n TYR 503 Ca -0.19 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.31 1dp0 n TYR 503 Cb 0.52 -1.76 -0.01 0.00 -0.02 0.00 0.00 39.34 38.07 1dp0 n TYR 503 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1dp0 s ALA 504 N -2.11 3.15 0.55 -0.72 0.00 -1.26 -4.87 121.76 116.49 1dp0 s ALA 504 Ca 0.00 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 52.98 1dp0 s ALA 504 Cb 0.00 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 19.72 1dp0 s ALA 504 CO 0.00 -0.65 0.81 1.03 0.00 0.00 0.00 175.76 176.95 1dp0 s ARG 505 N -2.35 2.85 -0.04 0.00 0.52 -1.26 -4.82 118.95 113.86 1dp0 s ARG 505 Ca 0.58 -0.30 -0.22 0.00 -0.52 0.00 0.00 55.73 55.27 1dp0 s ARG 505 Cb -0.33 -2.39 -0.16 0.00 0.52 0.00 0.00 34.95 32.59 1dp0 s ARG 505 CO 0.41 -0.60 0.96 0.28 0.02 0.00 0.00 175.30 176.37 1dp0 h VAL 506 N 0.02 0.80 0.00 3.52 2.07 -1.94 -0.77 116.25 119.94 1dp0 h VAL 506 Ca -0.45 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1dp0 h VAL 506 Cb 1.27 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1dp0 h VAL 506 CO 0.58 0.19 -1.40 0.47 0.02 0.00 0.00 177.57 177.43 1dp0 n ASP 507 N -4.98 3.14 -4.66 0.57 8.00 -1.26 -3.39 116.55 113.97 1dp0 n ASP 507 Ca -0.08 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.03 1dp0 n ASP 507 Cb 0.26 1.24 -0.07 0.00 -0.02 0.00 0.00 41.12 42.54 1dp0 n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1dp0 s GLU 508 N -2.49 4.18 0.47 -1.24 2.12 -1.26 -4.72 118.70 115.75 1dp0 s GLU 508 Ca -0.03 0.37 -0.19 0.00 0.36 0.00 0.00 54.97 55.47 1dp0 s GLU 508 Cb 0.05 -3.57 -0.09 0.00 0.26 0.00 0.00 34.13 30.78 1dp0 s GLU 508 CO 0.33 -0.15 0.99 -0.51 -0.54 0.00 0.00 175.26 175.38 1dp0 s ASP 509 N 1.17 6.64 -0.49 -1.70 1.01 -1.26 -3.74 116.67 118.29 1dp0 s ASP 509 Ca 0.23 1.73 0.03 0.00 0.71 0.00 0.00 52.55 55.25 1dp0 s ASP 509 Cb -0.15 -2.54 0.15 0.00 1.01 0.00 0.00 42.92 41.39 1dp0 s ASP 509 CO 0.09 -0.57 0.33 -1.10 0.21 0.00 0.00 175.17 174.13 1dp0 s GLN 510 N -3.45 1.46 -1.18 8.23 -0.21 -0.13 -4.90 119.66 119.48 1dp0 s GLN 510 Ca 0.63 -2.34 -0.09 0.00 0.02 0.00 0.00 55.36 53.58 1dp0 s GLN 510 Cb -0.11 -2.35 -0.13 0.00 1.00 0.00 0.00 33.01 31.42 1dp0 s GLN 510 CO 0.20 -1.25 3.03 -0.35 -2.12 0.00 0.00 175.29 174.80 1dp0 n PRO 511 N 3.00 3.15 -1.77 2.91 -0.04 -1.26 -0.97 135.00 140.02 1dp0 n PRO 511 Ca 0.17 -1.84 -0.38 0.00 -0.04 0.00 0.00 63.50 61.40 1dp0 n PRO 511 Cb 0.38 -2.57 0.05 0.00 -0.04 0.00 0.00 33.50 31.31 1dp0 n PRO 511 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1dp0 s PHE 512 N 2.01 2.24 0.44 0.54 0.40 -1.26 -4.86 117.98 117.49 1dp0 s PHE 512 Ca 0.66 1.39 -0.25 0.00 -0.60 0.00 0.00 56.93 58.13 1dp0 s PHE 512 Cb 0.20 -3.79 -0.08 0.00 0.51 0.00 0.00 43.02 39.86 1dp0 s PHE 512 CO -0.04 -2.93 1.34 -2.14 0.70 0.00 0.00 175.22 172.15 1dp0 s PRO 513 N -2.98 3.78 0.00 0.24 0.02 -1.26 -2.42 135.00 132.38 1dp0 s PRO 513 Ca 0.73 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.98 1dp0 s PRO 513 Cb -0.40 -2.65 0.00 0.00 0.02 0.00 0.00 34.50 31.46 1dp0 s PRO 513 CO 0.47 -0.67 0.00 0.00 -0.33 0.00 0.00 177.00 176.47 1dp0 n ALA 514 N -0.13 0.00 -3.18 -1.55 0.00 -1.26 -4.52 120.51 109.87 1dp0 n ALA 514 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.28 1dp0 n ALA 514 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.84 1dp0 n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1dp0 n VAL 515 N 0.00 0.14 -1.23 0.00 0.24 -1.20 -4.82 118.33 111.45 1dp0 n VAL 515 Ca 0.00 -4.55 -0.33 0.00 -2.04 0.00 0.00 64.34 57.42 1dp0 n VAL 515 Cb 0.00 -0.99 0.11 0.00 -1.47 0.00 0.00 33.84 31.49 1dp0 n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1dp0 s PRO 516 N -2.16 1.87 -0.47 7.34 0.04 -1.02 -4.60 135.00 136.01 1dp0 s PRO 516 Ca 0.39 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 63.05 1dp0 s PRO 516 Cb 0.28 -1.81 0.12 0.00 0.04 0.00 0.00 34.50 33.13 1dp0 s PRO 516 CO -0.09 -2.02 0.28 0.15 0.04 0.00 0.00 177.00 175.36 1dp0 s LYS 517 N -4.19 2.20 0.68 4.56 1.02 -0.14 -4.87 119.74 119.00 1dp0 s LYS 517 Ca 0.71 -1.98 -0.11 0.00 0.02 0.00 0.00 55.97 54.61 1dp0 s LYS 517 Cb -0.26 -3.67 -0.00 0.00 -0.52 0.00 0.00 37.83 33.38 1dp0 s LYS 517 CO 0.49 -1.11 1.05 -1.58 -0.92 0.00 0.00 175.35 173.28 1dp0 s TRP 518 N 0.89 3.26 0.30 3.18 0.52 -1.26 -0.95 118.94 124.87 1dp0 s TRP 518 Ca 0.10 1.35 -0.28 0.00 0.02 0.00 0.00 56.10 57.28 1dp0 s TRP 518 Cb -0.23 -2.86 -0.14 0.00 -1.15 0.00 0.00 33.47 29.10 1dp0 s TRP 518 CO -0.04 -1.10 1.08 0.45 0.02 0.00 0.00 176.95 177.36 1dp0 n SER 519 N -3.03 1.67 -0.20 2.95 2.88 -1.25 -4.40 113.62 112.25 1dp0 n SER 519 Ca 0.07 1.19 0.01 0.00 -1.33 0.00 0.00 58.87 58.80 1dp0 n SER 519 Cb 0.54 -1.34 0.26 0.00 -0.75 0.00 0.00 64.21 62.92 1dp0 n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1dp0 h ILE 520 N 2.14 1.19 -0.58 2.46 3.07 -1.14 0.27 117.51 124.91 1dp0 h ILE 520 Ca -0.41 -0.36 -0.08 0.00 1.55 0.00 0.00 64.86 65.56 1dp0 h ILE 520 Cb 1.33 0.15 -0.02 0.00 -0.27 0.00 0.00 36.82 38.00 1dp0 h ILE 520 CO 0.61 0.19 0.05 0.11 -1.05 0.00 0.00 178.15 178.06 1dp0 h LYS 521 N 0.97 0.99 -0.18 0.16 1.57 -1.84 -2.83 116.57 115.41 1dp0 h LYS 521 Ca 0.26 -0.29 -0.19 0.00 -1.87 0.00 0.00 60.65 58.57 1dp0 h LYS 521 Cb -0.09 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.11 1dp0 h LYS 521 CO -0.05 0.96 -0.63 -0.22 -0.57 0.00 0.00 179.45 178.93 1dp0 h LYS 522 N 0.89 0.66 -0.65 3.15 3.64 -1.63 -3.29 116.57 119.35 1dp0 h LYS 522 Ca 0.17 -0.46 0.07 0.00 -1.27 0.00 0.00 60.65 59.15 1dp0 h LYS 522 Cb 0.48 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 1dp0 h LYS 522 CO 0.02 1.08 0.34 2.35 -2.27 0.00 0.00 179.45 180.97 1dp0 h TRP 523 N 0.48 0.62 -0.69 1.91 2.91 -0.26 -2.14 115.95 118.77 1dp0 h TRP 523 Ca -0.01 0.03 0.13 0.00 1.13 0.00 0.00 58.89 60.16 1dp0 h TRP 523 Cb 1.22 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 29.64 1dp0 h TRP 523 CO 0.06 0.27 0.46 -0.07 -1.03 0.00 0.00 178.44 178.14 1dp0 h LEU 524 N 0.62 0.37 -3.22 0.65 3.38 -1.58 -2.52 115.31 113.01 1dp0 h LEU 524 Ca 0.30 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1dp0 h LEU 524 Cb 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1dp0 h LEU 524 CO -0.20 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 1dp0 n SER 525 N -4.47 4.58 -4.70 -0.43 3.41 -0.82 -4.54 113.62 106.65 1dp0 n SER 525 Ca 0.12 -2.60 -0.32 0.00 -0.26 0.00 0.00 58.87 55.81 1dp0 n SER 525 Cb 0.47 -0.55 0.13 0.00 -0.26 0.00 0.00 64.21 64.00 1dp0 n SER 525 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dp0 s LEU 526 N -2.12 3.06 0.03 1.04 1.43 -0.95 -4.76 118.68 116.42 1dp0 s LEU 526 Ca 0.47 2.23 -0.36 0.00 -1.03 0.00 0.00 54.13 55.45 1dp0 s LEU 526 Cb 0.33 -4.57 -0.15 0.00 0.03 0.00 0.00 46.19 41.82 1dp0 s LEU 526 CO 0.19 -2.66 1.56 -2.65 0.23 0.00 0.00 176.35 173.02 1dp0 n PRO 527 N -3.53 1.65 0.00 1.29 -0.02 -1.26 -1.02 135.00 132.11 1dp0 n PRO 527 Ca 0.12 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1dp0 n PRO 527 Cb 0.51 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 1dp0 n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1dp0 n GLY 528 N 3.35 2.91 3.75 -1.23 0.00 -1.26 -5.01 105.19 107.69 1dp0 n GLY 528 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 1dp0 n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1dp0 s GLU 529 N -0.04 4.59 0.00 1.61 2.56 -0.19 -4.93 118.70 122.29 1dp0 s GLU 529 Ca 0.00 1.78 0.00 0.00 0.00 0.00 0.00 54.97 56.75 1dp0 s GLU 529 Cb 0.00 -3.24 0.00 0.00 2.00 0.00 0.00 34.13 32.89 1dp0 s GLU 529 CO 0.00 0.09 0.03 0.25 -0.56 0.00 0.00 175.26 175.08 1dp0 n THR 530 N 1.94 0.00 -1.72 -1.70 -2.24 -1.26 -4.79 114.28 104.51 1dp0 n THR 530 Ca 0.02 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.49 1dp0 n THR 530 Cb 0.45 1.74 0.06 0.00 -2.10 0.00 0.00 70.33 70.48 1dp0 n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dp0 s ARG 531 N 0.00 2.72 0.71 -0.78 0.52 -1.26 -4.16 118.95 116.70 1dp0 s ARG 531 Ca 0.00 0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 55.74 1dp0 s ARG 531 Cb 0.00 -1.99 0.02 0.00 0.52 0.00 0.00 34.95 33.50 1dp0 s ARG 531 CO 0.00 -1.17 1.07 -1.25 0.02 0.00 0.00 175.30 173.97 1dp0 s PRO 532 N -5.21 2.75 -0.12 3.54 0.04 -1.05 -4.79 135.00 130.16 1dp0 s PRO 532 Ca 0.59 1.04 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1dp0 s PRO 532 Cb -0.13 -1.96 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1dp0 s PRO 532 CO 0.53 -1.25 -0.16 -1.17 0.04 0.00 0.00 177.00 174.99 1dp0 s LEU 533 N -5.58 1.78 -0.13 -3.56 0.20 0.10 -0.74 118.68 110.76 1dp0 s LEU 533 Ca 0.59 -0.47 -0.03 0.00 0.69 0.00 0.00 54.13 54.92 1dp0 s LEU 533 Cb -0.15 -1.17 0.05 0.00 -0.43 0.00 0.00 46.19 44.48 1dp0 s LEU 533 CO 0.54 0.01 0.04 -0.63 -0.29 0.00 0.00 176.35 176.02 1dp0 s ILE 534 N 1.06 0.23 0.21 6.68 1.01 -0.48 -1.17 121.20 128.74 1dp0 s ILE 534 Ca -0.04 -0.11 -0.31 0.00 0.00 0.00 0.00 60.65 60.19 1dp0 s ILE 534 Cb -0.15 -0.64 -0.10 0.00 0.01 0.00 0.00 42.46 41.59 1dp0 s ILE 534 CO -0.04 -0.03 1.54 -0.76 0.00 0.00 0.00 174.94 175.65 1dp0 s LEU 535 N 2.01 4.37 0.44 2.97 1.02 -0.61 -4.15 118.68 124.73 1dp0 s LEU 535 Ca 0.02 2.69 0.24 0.00 0.02 0.00 0.00 54.13 57.10 1dp0 s LEU 535 Cb -0.15 -3.61 0.68 0.00 0.02 0.00 0.00 46.19 43.14 1dp0 s LEU 535 CO -0.07 -0.80 1.72 0.00 0.02 0.00 0.00 176.35 177.23 1dp0 s GLU 537 N -3.39 0.44 0.26 0.00 2.02 -1.23 -4.30 118.70 112.50 1dp0 s GLU 537 Ca 0.03 0.74 -0.19 0.00 0.02 0.00 0.00 54.97 55.56 1dp0 s GLU 537 Cb 0.08 0.07 0.02 0.00 0.10 0.00 0.00 34.13 34.40 1dp0 s GLU 537 CO 0.65 -0.12 0.65 1.52 0.02 0.00 0.00 175.26 177.97 1dp0 s TYR 538 N 1.00 -0.11 -0.80 1.61 -0.85 -0.74 -0.57 117.35 116.88 1dp0 s TYR 538 Ca -0.06 -0.30 -0.02 0.00 -0.52 0.00 0.00 57.07 56.17 1dp0 s TYR 538 Cb -0.06 0.58 -0.00 0.00 0.38 0.00 0.00 41.96 42.86 1dp0 s TYR 538 CO -0.08 -1.14 0.68 0.00 -1.52 0.00 0.00 175.55 173.48 1dp0 n ALA 539 N -0.43 -2.62 -1.88 9.51 0.00 -1.26 -0.87 120.51 122.97 1dp0 n ALA 539 Ca -0.05 -0.11 -0.40 0.00 0.00 0.00 0.00 53.44 52.87 1dp0 n ALA 539 Cb 0.60 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1dp0 n ALA 539 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1dp0 s HIS 540 N -3.03 1.54 -0.20 0.00 2.46 -0.84 -3.71 115.29 111.51 1dp0 s HIS 540 Ca 0.04 0.84 -0.04 0.00 0.47 0.00 0.00 55.06 56.37 1dp0 s HIS 540 Cb -0.01 -3.99 -0.05 0.00 -0.13 0.00 0.00 32.58 28.40 1dp0 s HIS 540 CO 0.81 -2.83 2.90 0.00 -2.47 0.00 0.00 174.74 173.16 1dp0 n ALA 541 N 12.25 5.94 -2.60 1.58 0.00 0.52 -4.42 120.51 133.78 1dp0 n ALA 541 Ca 0.26 -2.01 -0.42 0.00 0.00 0.00 0.00 53.44 51.26 1dp0 n ALA 541 Cb 0.50 -1.96 -0.04 0.00 0.00 0.00 0.00 19.45 17.94 1dp0 n ALA 541 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1dp0 s MET 542 N -0.47 3.82 4.67 0.00 0.00 -1.26 -3.49 119.30 122.57 1dp0 s MET 542 Ca 0.51 0.47 0.00 0.00 0.00 0.00 0.00 55.69 56.67 1dp0 s MET 542 Cb 0.29 -3.79 0.00 0.00 0.00 0.00 0.00 34.83 31.33 1dp0 s MET 542 CO -0.08 -0.86 0.00 0.41 0.00 0.00 0.00 175.02 174.49 1dp0 n GLY 543 N 4.41 1.52 3.55 2.11 0.00 -1.26 -4.26 105.19 111.27 1dp0 n GLY 543 Ca 0.05 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 1dp0 n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1dp0 s ASN 544 N -4.00 6.00 0.00 1.61 3.84 -1.26 -4.86 114.94 116.27 1dp0 s ASN 544 Ca 0.00 -0.61 0.00 0.00 0.21 0.00 0.00 52.86 52.46 1dp0 s ASN 544 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 1dp0 s ASN 544 CO 0.00 -1.93 0.00 -0.24 -2.79 0.00 0.00 177.10 172.14 1dp0 n SER 545 N 10.28 0.00 0.00 -4.21 2.88 -1.26 -4.76 113.62 116.55 1dp0 n SER 545 Ca 0.18 -0.05 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1dp0 n SER 545 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1dp0 n SER 545 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1dp0 n LEU 546 N 0.00 0.00 -4.71 2.46 4.32 -1.22 -4.77 117.00 113.08 1dp0 n LEU 546 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.57 1dp0 n LEU 546 Cb 0.00 -0.48 -0.03 0.00 -1.62 0.00 0.00 43.42 41.29 1dp0 n LEU 546 CO 0.00 0.00 1.10 -0.83 -1.22 0.00 0.00 177.39 176.44 1dp0 s GLY 547 N -2.31 1.89 0.00 -0.72 0.00 0.04 -2.09 107.32 104.13 1dp0 s GLY 547 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 44.72 45.84 1dp0 s GLY 547 CO 0.00 2.43 0.00 0.61 0.00 0.00 0.00 173.10 176.14 1dp0 n GLY 548 N 3.57 0.76 0.26 0.20 0.00 0.13 -3.98 105.19 106.12 1dp0 n GLY 548 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 1dp0 n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1dp0 h PHE 549 N 0.00 0.73 0.00 1.61 3.57 -1.59 -2.28 116.94 118.98 1dp0 h PHE 549 Ca 0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 1dp0 h PHE 549 Cb 0.00 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 1dp0 h PHE 549 CO 0.00 0.39 -0.09 0.00 -2.23 0.00 0.00 178.31 176.39 1dp0 h ALA 550 N 1.30 1.75 -0.36 2.41 0.00 -1.85 -2.04 119.26 120.47 1dp0 h ALA 550 Ca 0.27 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1dp0 h ALA 550 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1dp0 h ALA 550 CO -0.13 0.11 0.03 -0.22 0.00 0.00 0.00 179.25 179.04 1dp0 h LYS 551 N 0.00 0.55 -0.28 0.00 3.64 -1.80 -0.43 116.57 118.25 1dp0 h LYS 551 Ca -0.00 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 1dp0 h LYS 551 Cb 0.16 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1dp0 h LYS 551 CO 0.01 0.56 -0.14 1.88 -2.27 0.00 0.00 179.45 179.49 1dp0 h TYR 552 N 0.53 0.68 -0.35 1.91 -1.99 -1.40 -2.72 116.97 113.64 1dp0 h TYR 552 Ca 0.12 -0.17 -0.08 0.00 2.00 0.00 0.00 58.73 60.60 1dp0 h TYR 552 Cb 0.30 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 38.85 1dp0 h TYR 552 CO 0.01 0.84 -0.11 -1.49 -0.00 0.00 0.00 178.16 177.41 1dp0 h TRP 553 N 0.34 0.66 -0.51 4.88 4.06 -1.43 0.15 115.95 124.09 1dp0 h TRP 553 Ca 0.06 -0.11 -0.09 0.00 2.06 0.00 0.00 58.89 60.82 1dp0 h TRP 553 Cb 0.66 -0.17 -0.02 0.00 -1.00 0.00 0.00 29.16 28.62 1dp0 h TRP 553 CO 0.06 0.70 -0.04 0.37 -3.56 0.00 0.00 178.44 175.97 1dp0 h GLN 554 N 0.56 0.88 -0.21 0.49 -0.00 -1.06 -1.33 115.11 114.44 1dp0 h GLN 554 Ca 0.10 -0.27 -0.05 0.00 -0.00 0.00 0.00 58.65 58.43 1dp0 h GLN 554 Cb 0.52 -0.09 -0.01 0.00 0.00 0.00 0.00 27.48 27.91 1dp0 h GLN 554 CO 0.03 0.90 -0.05 0.00 0.00 0.00 0.00 178.83 179.71 1dp0 h ALA 555 N 1.14 0.29 -0.94 3.38 0.00 -1.02 -1.61 119.26 120.51 1dp0 h ALA 555 Ca 0.15 -0.26 0.11 0.00 0.00 0.00 0.00 54.91 54.91 1dp0 h ALA 555 Cb 0.54 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 1dp0 h ALA 555 CO 0.03 0.08 0.57 0.74 0.00 0.00 0.00 179.25 180.67 1dp0 h PHE 556 N 0.14 1.04 0.00 0.00 0.05 -0.53 -1.24 116.94 116.40 1dp0 h PHE 556 Ca 0.05 0.03 -0.14 0.00 3.82 0.00 0.00 57.97 61.74 1dp0 h PHE 556 Cb 0.51 -0.33 -0.02 0.00 2.00 0.00 0.00 35.95 38.11 1dp0 h PHE 556 CO 0.05 0.41 -0.66 0.00 -0.18 0.00 0.00 178.31 177.93 1dp0 h ARG 557 N 0.92 0.00 0.00 1.51 3.08 -1.07 -3.29 114.38 115.53 1dp0 h ARG 557 Ca 0.47 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.31 1dp0 h ARG 557 Cb 0.46 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 1dp0 h ARG 557 CO -0.27 0.66 -1.10 0.37 -1.07 0.00 0.00 179.97 178.57 1dp0 h GLN 558 N 0.00 0.00 -4.91 0.04 4.15 -0.51 -3.43 115.11 110.46 1dp0 h GLN 558 Ca -0.01 0.00 -0.66 0.00 0.77 0.00 0.00 58.65 58.75 1dp0 h GLN 558 Cb 1.22 0.00 -0.24 0.00 0.21 0.00 0.00 27.48 28.67 1dp0 h GLN 558 CO 0.09 0.78 -0.63 0.71 -1.93 0.00 0.00 178.83 177.84 1dp0 s TYR 559 N -2.74 3.09 0.16 3.99 1.51 -0.54 -4.99 117.35 117.84 1dp0 s TYR 559 Ca 0.00 -0.64 -0.17 0.00 -1.01 0.00 0.00 57.07 55.25 1dp0 s TYR 559 Cb 0.09 -2.24 0.09 0.00 -0.11 0.00 0.00 41.96 39.79 1dp0 s TYR 559 CO 0.81 -0.45 1.67 -1.35 -1.11 0.00 0.00 175.55 175.12 1dp0 h PRO 560 N 8.23 -0.02 0.00 -1.71 0.11 -1.85 -1.69 132.00 135.07 1dp0 h PRO 560 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1dp0 h PRO 560 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1dp0 h PRO 560 CO 0.59 -0.01 0.00 0.54 -0.21 0.00 0.00 178.00 178.91 1dp0 n ARG 561 N -5.31 0.20 -2.92 1.05 1.74 -1.26 -4.34 116.66 105.81 1dp0 n ARG 561 Ca 0.02 0.12 -0.43 0.00 -0.77 0.00 0.00 57.85 56.78 1dp0 n ARG 561 Cb 0.22 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.12 1dp0 n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1dp0 s LEU 562 N -2.71 4.62 -0.28 0.55 1.43 -0.64 -0.72 118.68 120.93 1dp0 s LEU 562 Ca 0.16 -1.05 0.12 0.00 -1.03 0.00 0.00 54.13 52.33 1dp0 s LEU 562 Cb 0.13 -2.42 0.69 0.00 0.03 0.00 0.00 46.19 44.62 1dp0 s LEU 562 CO 0.32 -1.34 1.69 0.00 0.23 0.00 0.00 176.35 177.25 1dp0 n GLN 563 N 7.33 3.47 0.00 1.70 6.02 -0.32 -4.63 117.38 130.95 1dp0 n GLN 563 Ca -0.05 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 53.88 1dp0 n GLN 563 Cb 0.45 -2.10 0.00 0.00 1.02 0.00 0.00 30.24 29.60 1dp0 n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dp0 n GLY 564 N -0.27 0.21 0.00 1.08 0.00 -1.26 -0.24 105.19 104.72 1dp0 n GLY 564 Ca 0.35 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.46 1dp0 n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 565 N 0.00 0.19 3.24 -0.02 0.00 -0.98 -1.58 105.19 106.05 1dp0 n GLY 565 Ca 0.00 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.74 1dp0 n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dp0 s PHE 566 N -2.00 3.11 0.60 1.61 0.40 -0.35 -0.88 117.98 120.46 1dp0 s PHE 566 Ca 0.00 -1.42 -0.19 0.00 -0.60 0.00 0.00 56.93 54.72 1dp0 s PHE 566 Cb 0.00 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.37 1dp0 s PHE 566 CO 0.00 -0.69 1.26 0.08 0.70 0.00 0.00 175.22 176.57 1dp0 s VAL 567 N 1.37 2.35 -0.37 -0.44 1.01 -0.18 -1.79 120.40 122.35 1dp0 s VAL 567 Ca 0.00 0.23 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 1dp0 s VAL 567 Cb -0.17 -3.10 0.05 0.00 0.00 0.00 0.00 36.38 33.16 1dp0 s VAL 567 CO -0.02 -0.04 0.17 0.86 0.00 0.00 0.00 175.10 176.07 1dp0 s TRP 568 N -1.47 3.29 0.00 5.22 -0.11 -0.05 -1.00 118.94 124.84 1dp0 s TRP 568 Ca 0.77 -1.44 0.00 0.00 1.22 0.00 0.00 56.10 56.66 1dp0 s TRP 568 Cb -0.35 -2.55 0.00 0.00 -1.50 0.00 0.00 33.47 29.08 1dp0 s TRP 568 CO 0.38 -0.77 0.00 -0.40 -4.62 0.00 0.00 176.95 171.55 1dp0 n ASP 569 N 4.86 0.00 0.09 5.86 5.75 -0.46 -0.35 116.55 132.29 1dp0 n ASP 569 Ca -0.11 -0.98 -0.10 0.00 -0.01 0.00 0.00 54.79 53.60 1dp0 n ASP 569 Cb 0.44 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.47 1dp0 n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 1dp0 h TRP 570 N 0.98 -0.28 -4.17 2.11 -0.00 -0.96 -1.43 115.95 112.20 1dp0 h TRP 570 Ca 0.00 -0.01 -0.49 0.00 -0.00 0.00 0.00 58.89 58.39 1dp0 h TRP 570 Cb 0.00 0.09 -0.27 0.00 -0.00 0.00 0.00 29.16 28.98 1dp0 h TRP 570 CO 0.00 0.07 -0.81 0.54 -0.00 0.00 0.00 178.44 178.24 1dp0 s VAL 571 N -3.33 1.21 0.31 2.65 0.11 -1.26 -0.94 120.40 119.15 1dp0 s VAL 571 Ca -0.11 -0.80 -0.29 0.00 -2.93 0.00 0.00 61.98 57.85 1dp0 s VAL 571 Cb 0.01 -1.04 -0.11 0.00 -1.53 0.00 0.00 36.38 33.71 1dp0 s VAL 571 CO 0.39 0.22 1.53 -1.81 -3.33 0.00 0.00 175.10 172.11 1dp0 s ASP 572 N -0.67 6.42 -1.29 3.54 1.01 -0.40 -4.39 116.67 120.89 1dp0 s ASP 572 Ca 0.05 2.93 -0.06 0.00 0.71 0.00 0.00 52.55 56.18 1dp0 s ASP 572 Cb -0.07 -2.64 0.14 0.00 1.01 0.00 0.00 42.92 41.36 1dp0 s ASP 572 CO 0.00 -0.86 2.26 0.00 0.21 0.00 0.00 175.17 176.79 1dp0 n GLN 573 N 1.63 4.54 -3.42 8.23 6.02 -0.13 -3.99 117.38 130.25 1dp0 n GLN 573 Ca 0.05 -3.58 -0.31 0.00 -0.01 0.00 0.00 57.00 53.16 1dp0 n GLN 573 Cb 0.38 -2.65 -0.05 0.00 1.02 0.00 0.00 30.24 28.94 1dp0 n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1dp0 s SER 574 N 0.26 6.54 0.12 1.08 1.04 -1.26 -4.72 113.70 116.77 1dp0 s SER 574 Ca 0.51 0.81 0.10 0.00 0.48 0.00 0.00 55.95 57.85 1dp0 s SER 574 Cb 0.17 -2.18 -0.04 0.00 0.10 0.00 0.00 66.02 64.07 1dp0 s SER 574 CO -0.08 -0.10 -0.25 -0.76 0.98 0.00 0.00 173.24 173.04 1dp0 s LEU 575 N -3.04 2.41 0.01 2.42 1.43 -0.71 -4.33 118.68 116.87 1dp0 s LEU 575 Ca 0.45 -0.69 -0.22 0.00 -1.03 0.00 0.00 54.13 52.64 1dp0 s LEU 575 Cb -0.11 -1.31 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 1dp0 s LEU 575 CO 0.25 0.18 0.65 -0.63 0.23 0.00 0.00 176.35 177.03 1dp0 s ILE 576 N -1.07 4.85 0.35 -0.59 -1.09 -0.46 -0.66 121.20 122.52 1dp0 s ILE 576 Ca 0.15 1.36 0.08 0.00 -2.23 0.00 0.00 60.65 60.01 1dp0 s ILE 576 Cb -0.10 -3.99 -0.07 0.00 -1.58 0.00 0.00 42.46 36.73 1dp0 s ILE 576 CO 0.07 0.41 -0.04 -0.54 -1.23 0.00 0.00 174.94 173.60 1dp0 s LYS 577 N -0.18 1.80 -0.07 2.79 1.02 0.27 -4.92 119.74 120.45 1dp0 s LYS 577 Ca 0.33 -1.96 0.04 0.00 0.02 0.00 0.00 55.97 54.40 1dp0 s LYS 577 Cb -0.19 -1.52 -0.02 0.00 -0.52 0.00 0.00 37.83 35.58 1dp0 s LYS 577 CO 0.19 0.04 -0.19 0.71 -0.92 0.00 0.00 175.35 175.18 1dp0 s TYR 578 N -2.77 2.61 0.62 3.18 1.51 -1.26 -0.06 117.35 121.17 1dp0 s TYR 578 Ca 0.33 -0.48 -0.07 0.00 -1.01 0.00 0.00 57.07 55.84 1dp0 s TYR 578 Cb 0.05 -1.66 0.14 0.00 -0.11 0.00 0.00 41.96 40.38 1dp0 s TYR 578 CO 0.16 -0.06 0.84 -0.40 -1.11 0.00 0.00 175.55 174.98 1dp0 n ASP 579 N 2.81 0.41 -0.28 2.29 5.68 -0.16 -4.84 116.55 122.45 1dp0 n ASP 579 Ca -0.17 -1.51 0.11 0.00 -0.50 0.00 0.00 54.79 52.71 1dp0 n ASP 579 Cb 0.52 -0.61 0.35 0.00 -1.14 0.00 0.00 41.12 40.24 1dp0 n ASP 579 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1dp0 h GLU 580 N 0.00 0.74 -0.00 0.11 5.08 -2.01 0.10 114.58 118.60 1dp0 h GLU 580 Ca -0.27 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1dp0 h GLU 580 Cb 0.84 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1dp0 h GLU 580 CO 0.23 0.49 -0.00 0.09 -1.00 0.00 0.00 179.01 178.81 1dp0 n ASN 581 N -4.57 0.03 0.00 1.42 3.02 -1.26 -4.89 115.26 109.01 1dp0 n ASN 581 Ca 0.17 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1dp0 n ASN 581 Cb 0.43 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1dp0 n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1dp0 n GLY 582 N 1.16 0.76 3.78 7.41 0.00 0.35 -5.02 105.19 113.62 1dp0 n GLY 582 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1dp0 n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dp0 s ASN 583 N -2.60 7.22 0.50 1.61 0.01 -1.26 -4.67 114.94 115.75 1dp0 s ASN 583 Ca 0.00 1.45 -0.20 0.00 -0.71 0.00 0.00 52.86 53.40 1dp0 s ASN 583 Cb 0.00 -2.44 -0.08 0.00 0.41 0.00 0.00 41.25 39.14 1dp0 s ASN 583 CO 0.00 0.17 1.05 -2.16 -1.51 0.00 0.00 177.10 174.65 1dp0 s PRO 584 N -0.77 3.71 0.00 -0.60 0.04 -1.26 -0.99 135.00 135.13 1dp0 s PRO 584 Ca 0.34 1.38 -0.10 0.00 0.04 0.00 0.00 61.00 62.66 1dp0 s PRO 584 Cb -0.21 -2.08 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1dp0 s PRO 584 CO 0.23 -0.51 0.21 1.67 0.04 0.00 0.00 177.00 178.63 1dp0 s TRP 585 N -1.99 -0.04 -0.17 0.56 1.48 0.91 -4.93 118.94 114.77 1dp0 s TRP 585 Ca 0.68 -0.00 -0.27 0.00 -1.06 0.00 0.00 56.10 55.45 1dp0 s TRP 585 Cb -0.17 0.01 -0.01 0.00 -1.16 0.00 0.00 33.47 32.14 1dp0 s TRP 585 CO 0.22 -0.35 0.90 -1.12 -4.06 0.00 0.00 176.95 172.54 1dp0 s SER 586 N -1.46 7.03 0.22 -2.66 0.01 -1.26 -0.57 113.70 115.01 1dp0 s SER 586 Ca -0.13 1.27 0.10 0.00 1.31 0.00 0.00 55.95 58.49 1dp0 s SER 586 Cb -0.06 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1dp0 s SER 586 CO 0.02 -0.45 -0.09 0.00 0.41 0.00 0.00 173.24 173.13 1dp0 s ALA 587 N 2.31 2.96 0.00 1.44 0.00 0.16 -4.91 121.76 123.72 1dp0 s ALA 587 Ca 0.41 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1dp0 s ALA 587 Cb -0.17 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1dp0 s ALA 587 CO 0.12 0.37 0.00 2.48 0.00 0.00 0.00 175.76 178.74 1dp0 n TYR 588 N -0.34 0.00 -1.60 0.00 0.18 -1.26 -1.74 117.16 112.40 1dp0 n TYR 588 Ca -0.09 0.00 -0.47 0.00 1.88 0.00 0.00 57.90 59.23 1dp0 n TYR 588 Cb 0.57 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.50 1dp0 n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1dp0 n GLY 589 N 1.85 0.14 2.33 -7.48 0.00 -0.75 -1.60 105.19 99.67 1dp0 n GLY 589 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 1dp0 n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 590 N 1.84 3.00 0.00 -0.02 0.00 -1.26 -3.99 105.19 104.76 1dp0 n GLY 590 Ca 0.13 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.23 1dp0 n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dp0 n ASP 591 N 0.00 0.00 -0.73 1.61 8.00 -0.63 -2.11 116.55 122.70 1dp0 n ASP 591 Ca 0.00 0.16 0.06 0.00 0.71 0.00 0.00 54.79 55.73 1dp0 n ASP 591 Cb 0.00 -0.34 0.18 0.00 -0.02 0.00 0.00 41.12 40.94 1dp0 n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1dp0 n PHE 592 N -1.34 0.58 -0.67 1.24 3.01 -1.26 -4.92 117.46 114.11 1dp0 n PHE 592 Ca 0.07 -0.57 0.00 0.00 1.01 0.00 0.00 57.45 57.96 1dp0 n PHE 592 Cb 0.14 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 1dp0 n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1dp0 n GLY 593 N 0.39 0.76 3.71 1.37 0.00 -0.89 -4.86 105.19 105.67 1dp0 n GLY 593 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1dp0 n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1dp0 s ASP 594 N -2.59 6.94 -0.26 1.61 -4.77 -1.26 -5.01 116.67 111.34 1dp0 s ASP 594 Ca 0.00 2.15 -0.25 0.00 -3.30 0.00 0.00 52.55 51.15 1dp0 s ASP 594 Cb 0.00 -2.58 0.08 0.00 -1.09 0.00 0.00 42.92 39.33 1dp0 s ASP 594 CO 0.00 -0.58 0.75 0.28 0.70 0.00 0.00 175.17 176.32 1dp0 s THR 595 N 1.30 0.00 0.91 2.11 -1.32 -1.26 -4.01 115.64 113.37 1dp0 s THR 595 Ca 0.62 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.98 1dp0 s THR 595 Cb -0.33 -1.00 0.14 0.00 -1.51 0.00 0.00 72.50 69.80 1dp0 s THR 595 CO 0.29 0.00 1.09 -2.84 -2.21 0.00 0.00 174.62 170.95 1dp0 s PRO 596 N 0.28 1.09 0.18 7.08 0.02 -1.26 -5.16 135.00 137.22 1dp0 s PRO 596 Ca -0.00 0.98 -0.09 0.00 0.02 0.00 0.00 61.00 61.90 1dp0 s PRO 596 Cb -0.05 -1.78 -0.01 0.00 0.02 0.00 0.00 34.50 32.69 1dp0 s PRO 596 CO 0.01 -2.40 0.31 0.54 -0.33 0.00 0.00 177.00 175.13 1dp0 s ASN 597 N -3.20 0.02 -0.29 2.53 2.20 -1.26 -4.71 114.94 110.23 1dp0 s ASN 597 Ca 0.64 -0.88 0.10 0.00 -0.94 0.00 0.00 52.86 51.79 1dp0 s ASN 597 Cb -0.19 0.46 0.55 0.00 -2.00 0.00 0.00 41.25 40.06 1dp0 s ASN 597 CO 0.58 -0.92 1.54 0.47 -2.94 0.00 0.00 177.10 175.82 1dp0 n ASP 598 N -0.24 3.09 0.00 3.54 8.00 -0.68 -4.94 116.55 125.32 1dp0 n ASP 598 Ca -0.07 -3.55 0.00 0.00 0.71 0.00 0.00 54.79 51.88 1dp0 n ASP 598 Cb 0.63 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 1dp0 n ASP 598 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1dp0 n ARG 599 N -0.93 0.00 0.00 -1.24 1.85 -1.26 -1.40 116.66 113.68 1dp0 n ARG 599 Ca 0.35 0.00 0.10 0.00 -1.00 0.00 0.00 57.85 57.30 1dp0 n ARG 599 Cb 1.11 0.00 0.62 0.00 -1.05 0.00 0.00 32.46 33.14 1dp0 n ARG 599 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1dp0 n GLN 600 N 14.00 0.82 0.08 2.89 0.00 -1.26 -1.81 117.38 132.10 1dp0 n GLN 600 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.00 57.06 1dp0 n GLN 600 Cb 0.00 -1.39 0.32 0.00 0.00 0.00 0.00 30.24 29.17 1dp0 n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1dp0 n PHE 601 N -0.89 0.39 1.66 2.61 3.01 -0.49 -1.03 117.46 122.71 1dp0 n PHE 601 Ca 0.16 0.19 0.15 0.00 1.01 0.00 0.00 57.45 58.96 1dp0 n PHE 601 Cb 0.07 -0.81 0.83 0.00 -0.01 0.00 0.00 39.48 39.56 1dp0 n PHE 601 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1dp0 s MET 603 N -2.26 1.93 -0.06 0.00 -1.94 -0.20 -0.96 119.30 115.81 1dp0 s MET 603 Ca 0.37 -1.95 0.13 0.00 -1.71 0.00 0.00 55.69 52.53 1dp0 s MET 603 Cb 0.20 -3.49 0.24 0.00 2.01 0.00 0.00 34.83 33.79 1dp0 s MET 603 CO 0.39 -1.05 1.11 0.09 -0.01 0.00 0.00 175.02 175.55 1dp0 n ASN 604 N 4.32 1.07 -4.97 3.03 5.03 -1.26 -4.14 115.26 118.33 1dp0 n ASN 604 Ca 0.01 -2.56 -0.21 0.00 0.87 0.00 0.00 54.58 52.69 1dp0 n ASN 604 Cb 0.41 -0.33 0.01 0.00 -1.02 0.00 0.00 39.78 38.84 1dp0 n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1dp0 s GLY 605 N -2.05 1.64 0.46 7.41 0.00 -1.23 -1.36 107.32 112.20 1dp0 s GLY 605 Ca 0.22 -1.27 0.27 0.00 0.00 0.00 0.00 44.72 43.94 1dp0 s GLY 605 CO -0.05 -1.11 1.76 1.41 0.00 0.00 0.00 173.10 175.11 1dp0 h LEU 606 N 0.53 0.00 -8.45 0.66 3.38 0.11 -3.44 115.31 108.09 1dp0 h LEU 606 Ca -0.45 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.14 1dp0 h LEU 606 Cb 1.26 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.81 1dp0 h LEU 606 CO 0.54 0.00 -0.76 0.68 0.09 0.00 0.00 178.44 178.99 1dp0 s VAL 607 N -3.37 1.09 0.85 1.22 -7.23 -0.12 -0.48 120.40 112.36 1dp0 s VAL 607 Ca 0.05 -1.46 -0.11 0.00 -1.81 0.00 0.00 61.98 58.65 1dp0 s VAL 607 Cb 0.07 -1.21 0.10 0.00 0.56 0.00 0.00 36.38 35.90 1dp0 s VAL 607 CO 0.61 -0.36 1.10 -0.36 -0.31 0.00 0.00 175.10 175.78 1dp0 s PHE 608 N -1.75 2.31 0.56 2.82 0.40 0.02 -1.27 117.98 121.07 1dp0 s PHE 608 Ca 0.02 1.46 0.27 0.00 -0.60 0.00 0.00 56.93 58.08 1dp0 s PHE 608 Cb -0.07 -3.13 1.47 0.00 0.51 0.00 0.00 43.02 41.80 1dp0 s PHE 608 CO 0.02 -2.23 1.99 0.00 0.70 0.00 0.00 175.22 175.71 1dp0 h ALA 609 N -1.44 2.29 -0.27 5.36 0.00 -1.89 0.30 119.26 123.61 1dp0 h ALA 609 Ca -0.46 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1dp0 h ALA 609 Cb 1.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1dp0 h ALA 609 CO 0.51 -0.60 0.00 -0.40 0.00 0.00 0.00 179.25 178.76 1dp0 n ASP 610 N -4.10 1.45 0.00 0.00 5.68 -1.26 -4.49 116.55 113.83 1dp0 n ASP 610 Ca 0.08 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 1dp0 n ASP 610 Cb 0.57 -0.18 0.00 0.00 -1.14 0.00 0.00 41.12 40.37 1dp0 n ASP 610 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1dp0 n ARG 611 N 0.29 0.00 -2.09 0.11 3.00 0.11 -5.02 116.66 113.06 1dp0 n ARG 611 Ca 0.09 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.52 1dp0 n ARG 611 Cb 0.23 -1.84 -0.02 0.00 0.00 0.00 0.00 32.46 30.83 1dp0 n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1dp0 s THR 612 N -3.44 2.75 0.46 0.55 2.01 -1.26 -4.73 115.64 111.98 1dp0 s THR 612 Ca 0.00 0.70 -0.22 0.00 0.31 0.00 0.00 61.69 62.48 1dp0 s THR 612 Cb 0.00 -3.44 -0.08 0.00 0.01 0.00 0.00 72.50 68.98 1dp0 s THR 612 CO 0.00 0.14 1.07 -2.84 -0.69 0.00 0.00 174.62 172.30 1dp0 s PRO 613 N -1.18 3.85 0.67 4.92 0.02 -1.26 -0.80 135.00 141.23 1dp0 s PRO 613 Ca 0.53 1.49 -0.07 0.00 0.02 0.00 0.00 61.00 62.97 1dp0 s PRO 613 Cb -0.40 -2.26 0.04 0.00 0.02 0.00 0.00 34.50 31.90 1dp0 s PRO 613 CO 0.48 -0.41 1.00 -1.01 -0.33 0.00 0.00 177.00 176.73 1dp0 s HIS 614 N -1.80 3.09 0.51 6.54 3.76 0.37 -4.77 115.29 122.98 1dp0 s HIS 614 Ca 0.65 0.62 0.18 0.00 -0.15 0.00 0.00 55.06 56.35 1dp0 s HIS 614 Cb -0.21 -3.04 1.27 0.00 1.11 0.00 0.00 32.58 31.71 1dp0 s HIS 614 CO 0.25 -1.20 2.12 -1.35 -0.85 0.00 0.00 174.74 173.71 1dp0 h PRO 615 N -0.49 0.00 0.00 8.40 0.11 -1.93 -2.19 132.00 135.90 1dp0 h PRO 615 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1dp0 h PRO 615 Cb 1.29 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.40 1dp0 h PRO 615 CO 0.61 0.05 -0.06 0.00 -0.21 0.00 0.00 178.00 178.39 1dp0 h ALA 616 N 1.95 1.40 -0.95 -0.75 0.00 -1.86 -2.77 119.26 116.28 1dp0 h ALA 616 Ca -0.00 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1dp0 h ALA 616 Cb 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1dp0 h ALA 616 CO 0.01 0.08 0.63 1.25 0.00 0.00 0.00 179.25 181.21 1dp0 h LEU 617 N 0.00 1.07 -1.24 0.00 5.85 -1.59 -1.31 115.31 118.09 1dp0 h LEU 617 Ca -0.00 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1dp0 h LEU 617 Cb 0.17 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 1dp0 h LEU 617 CO 0.01 0.77 0.33 0.00 -0.34 0.00 0.00 178.44 179.20 1dp0 h THR 618 N 1.26 1.19 -0.38 1.05 1.03 -1.70 0.14 112.91 115.50 1dp0 h THR 618 Ca 0.36 -0.48 -0.01 0.00 -0.01 0.00 0.00 66.41 66.26 1dp0 h THR 618 Cb -0.10 0.36 -0.02 0.00 -1.07 0.00 0.00 68.15 67.32 1dp0 h THR 618 CO -0.09 0.21 0.21 -0.08 -0.01 0.00 0.00 175.52 175.76 1dp0 h GLU 619 N 0.86 0.54 -0.36 0.00 4.57 -1.38 -0.99 114.58 117.82 1dp0 h GLU 619 Ca 0.22 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.33 1dp0 h GLU 619 Cb 0.03 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 1dp0 h GLU 619 CO -0.03 0.45 0.19 0.00 -1.18 0.00 0.00 179.01 178.44 1dp0 h ALA 620 N 1.06 0.46 -0.53 2.92 0.00 -0.86 -1.34 119.26 120.98 1dp0 h ALA 620 Ca 0.13 -0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1dp0 h ALA 620 Cb 0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.65 1dp0 h ALA 620 CO -0.02 -0.01 0.19 -0.22 0.00 0.00 0.00 179.25 179.18 1dp0 h LYS 621 N 0.45 0.36 -0.26 0.00 3.64 -0.58 -1.30 116.57 118.88 1dp0 h LYS 621 Ca 0.13 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1dp0 h LYS 621 Cb 0.06 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1dp0 h LYS 621 CO -0.02 0.24 -0.08 1.25 -2.27 0.00 0.00 179.45 178.57 1dp0 h HIS 622 N 0.37 0.57 0.00 1.91 2.76 -0.95 -2.79 115.15 117.02 1dp0 h HIS 622 Ca 0.26 -0.13 -0.05 0.00 -2.20 0.00 0.00 60.37 58.25 1dp0 h HIS 622 Cb 0.28 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1dp0 h HIS 622 CO -0.17 0.73 -0.23 1.96 -1.30 0.00 0.00 177.93 178.92 1dp0 h GLN 623 N 0.25 0.00 -0.49 5.26 1.08 -1.08 -2.53 115.11 117.60 1dp0 h GLN 623 Ca 0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1dp0 h GLN 623 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1dp0 h GLN 623 CO 0.03 0.23 0.00 1.04 -0.95 0.00 0.00 178.83 179.18 1dp0 n GLN 624 N -3.92 2.21 -1.18 1.46 6.02 -0.50 -4.96 117.38 116.51 1dp0 n GLN 624 Ca -0.02 -1.67 -0.35 0.00 -0.01 0.00 0.00 57.00 54.95 1dp0 n GLN 624 Cb 0.32 -1.43 0.09 0.00 1.02 0.00 0.00 30.24 30.24 1dp0 n GLN 624 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1dp0 n GLN 625 N 0.78 0.24 -0.00 -1.09 6.02 -0.95 -4.88 117.38 117.49 1dp0 n GLN 625 Ca 0.15 0.13 0.11 0.00 -0.01 0.00 0.00 57.00 57.39 1dp0 n GLN 625 Cb 0.44 -2.04 0.10 0.00 1.02 0.00 0.00 30.24 29.76 1dp0 n GLN 625 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1dp0 n PHE 626 N -2.76 0.01 -5.07 1.08 3.01 -1.26 -4.88 117.46 107.58 1dp0 n PHE 626 Ca 0.11 -0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.27 1dp0 n PHE 626 Cb 0.50 -0.00 -0.17 0.00 -0.01 0.00 0.00 39.48 39.81 1dp0 n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1dp0 s PHE 627 N -1.88 2.23 0.07 1.38 0.40 -1.26 0.80 117.98 119.73 1dp0 s PHE 627 Ca 0.27 -0.81 0.04 0.00 -0.60 0.00 0.00 56.93 55.83 1dp0 s PHE 627 Cb 0.19 -1.50 -0.04 0.00 0.51 0.00 0.00 43.02 42.18 1dp0 s PHE 627 CO 0.28 -0.31 0.00 -0.65 0.70 0.00 0.00 175.22 175.25 1dp0 s GLN 628 N 0.23 2.61 0.03 0.44 -1.52 -0.45 -4.94 119.66 116.06 1dp0 s GLN 628 Ca -0.12 -0.79 0.03 0.00 -1.95 0.00 0.00 55.36 52.52 1dp0 s GLN 628 Cb -0.16 -2.57 -0.02 0.00 -0.22 0.00 0.00 33.01 30.04 1dp0 s GLN 628 CO 0.06 0.56 -0.09 -0.06 -0.25 0.00 0.00 175.29 175.50 1dp0 s PHE 629 N -1.28 0.79 0.07 0.91 0.40 -1.26 -0.79 117.98 116.82 1dp0 s PHE 629 Ca 0.25 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.24 1dp0 s PHE 629 Cb -0.12 -0.48 -0.03 0.00 0.51 0.00 0.00 43.02 42.91 1dp0 s PHE 629 CO 0.17 -0.03 -0.08 1.03 0.70 0.00 0.00 175.22 177.02 1dp0 s ARG 630 N -1.11 0.66 -0.08 0.44 0.52 0.43 -4.96 118.95 114.85 1dp0 s ARG 630 Ca -0.04 -1.00 0.03 0.00 -0.52 0.00 0.00 55.73 54.21 1dp0 s ARG 630 Cb -0.07 -0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.11 1dp0 s ARG 630 CO 0.01 0.03 -0.19 -1.17 0.02 0.00 0.00 175.30 174.00 1dp0 s LEU 631 N -2.17 1.89 -0.16 2.53 2.96 -1.26 0.58 118.68 123.05 1dp0 s LEU 631 Ca -0.01 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.44 1dp0 s LEU 631 Cb -0.04 -1.12 0.06 0.00 0.50 0.00 0.00 46.19 45.58 1dp0 s LEU 631 CO -0.01 0.11 0.06 -0.55 -1.32 0.00 0.00 176.35 174.64 1dp0 s SER 632 N 0.41 2.45 1.25 3.68 0.15 -0.29 -4.99 113.70 116.36 1dp0 s SER 632 Ca -0.15 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 55.89 1dp0 s SER 632 Cb -0.16 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1dp0 s SER 632 CO 0.06 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.80 1dp0 n GLY 633 N 5.17 2.52 0.39 9.45 0.00 -1.26 -0.45 105.19 121.01 1dp0 n GLY 633 Ca -0.08 -0.35 0.08 0.00 0.00 0.00 0.00 46.02 45.67 1dp0 n GLY 633 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLN 634 N 12.51 1.57 -3.80 1.61 -0.00 -1.26 -4.98 117.38 123.03 1dp0 n GLN 634 Ca 0.00 -2.87 -0.36 0.00 -0.00 0.00 0.00 57.00 53.77 1dp0 n GLN 634 Cb 0.00 -1.59 -0.13 0.00 -0.00 0.00 0.00 30.24 28.52 1dp0 n GLN 634 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1dp0 s THR 635 N -3.01 3.97 -0.19 -0.39 2.01 0.40 0.00 115.64 118.43 1dp0 s THR 635 Ca 0.36 -0.39 -0.15 0.00 0.31 0.00 0.00 61.69 61.82 1dp0 s THR 635 Cb 0.32 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 1dp0 s THR 635 CO 0.00 0.30 0.36 -0.63 -0.69 0.00 0.00 174.62 173.95 1dp0 s ILE 636 N 1.55 5.24 -0.20 1.82 1.01 -0.25 -1.14 121.20 129.23 1dp0 s ILE 636 Ca 0.05 0.63 -0.07 0.00 0.00 0.00 0.00 60.65 61.27 1dp0 s ILE 636 Cb -0.15 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1dp0 s ILE 636 CO 0.01 0.30 0.05 -0.70 0.00 0.00 0.00 174.94 174.60 1dp0 s GLU 637 N 1.04 3.81 -0.18 2.79 2.12 0.20 -1.12 118.70 127.36 1dp0 s GLU 637 Ca 0.18 -0.42 -0.03 0.00 0.36 0.00 0.00 54.97 55.06 1dp0 s GLU 637 Cb -0.14 -3.19 -0.01 0.00 0.26 0.00 0.00 34.13 31.04 1dp0 s GLU 637 CO 0.07 0.11 -0.06 0.08 -0.54 0.00 0.00 175.26 174.92 1dp0 s VAL 638 N 0.78 3.44 -0.09 3.70 1.01 -0.33 -0.43 120.40 128.48 1dp0 s VAL 638 Ca 0.03 -0.49 0.02 0.00 0.00 0.00 0.00 61.98 61.54 1dp0 s VAL 638 Cb -0.14 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 1dp0 s VAL 638 CO 0.02 0.46 -0.17 -0.89 0.00 0.00 0.00 175.10 174.53 1dp0 s THR 639 N 0.94 2.79 -0.03 3.92 2.01 0.03 -0.28 115.64 125.02 1dp0 s THR 639 Ca -0.01 -0.78 -0.17 0.00 0.31 0.00 0.00 61.69 61.04 1dp0 s THR 639 Cb -0.15 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.19 1dp0 s THR 639 CO 0.01 0.56 0.48 -0.55 -0.69 0.00 0.00 174.62 174.42 1dp0 s SER 640 N -0.08 6.83 0.00 3.53 0.15 -0.07 -1.33 113.70 122.73 1dp0 s SER 640 Ca -0.03 0.99 0.23 0.00 0.70 0.00 0.00 55.95 57.83 1dp0 s SER 640 Cb -0.14 -2.30 0.47 0.00 -1.71 0.00 0.00 66.02 62.35 1dp0 s SER 640 CO 0.04 0.18 1.42 -0.62 1.20 0.00 0.00 173.24 175.47 1dp0 n GLU 641 N 2.54 2.41 -2.34 5.44 1.02 0.24 -2.51 120.64 127.44 1dp0 n GLU 641 Ca -0.10 -2.14 -0.35 0.00 -0.02 0.00 0.00 57.16 54.55 1dp0 n GLU 641 Cb 0.52 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.43 1dp0 n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1dp0 s TYR 642 N -1.52 2.80 -0.16 -0.32 1.51 -1.26 -4.83 117.35 113.57 1dp0 s TYR 642 Ca 0.38 1.55 0.18 0.00 -1.01 0.00 0.00 57.07 58.18 1dp0 s TYR 642 Cb 0.22 -3.24 -0.26 0.00 -0.11 0.00 0.00 41.96 38.58 1dp0 s TYR 642 CO 0.31 -1.35 0.15 1.28 -1.11 0.00 0.00 175.55 174.83 1dp0 n LEU 643 N -1.08 0.00 0.00 -1.29 4.77 -1.26 -2.00 117.00 116.14 1dp0 n LEU 643 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1dp0 n LEU 643 Cb 0.51 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.98 1dp0 n LEU 643 CO 0.42 0.38 -0.49 0.49 -1.33 0.00 0.00 177.39 176.86 1dp0 n PHE 644 N -2.62 0.00 -3.94 -1.77 3.01 -1.26 -4.82 117.46 106.06 1dp0 n PHE 644 Ca -0.26 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 57.96 1dp0 n PHE 644 Cb 1.01 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.46 1dp0 n PHE 644 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1dp0 s ARG 645 N -1.99 3.44 0.55 -1.08 1.70 -1.26 -4.80 118.95 115.51 1dp0 s ARG 645 Ca 0.00 -0.65 -0.07 0.00 -0.47 0.00 0.00 55.73 54.55 1dp0 s ARG 645 Cb 0.00 -2.93 -0.02 0.00 -0.57 0.00 0.00 34.95 31.43 1dp0 s ARG 645 CO 0.00 0.48 0.88 -1.01 -1.08 0.00 0.00 175.30 174.57 1dp0 s HIS 646 N -1.84 3.49 -1.32 5.89 3.76 -1.26 -3.40 115.29 120.60 1dp0 s HIS 646 Ca 0.35 0.88 -0.16 0.00 -0.15 0.00 0.00 55.06 55.98 1dp0 s HIS 646 Cb -0.10 -2.54 -0.00 0.00 1.11 0.00 0.00 32.58 31.04 1dp0 s HIS 646 CO 0.29 -0.55 2.18 -1.13 -0.85 0.00 0.00 174.74 174.67 1dp0 n SER 647 N -2.49 3.66 -1.29 1.40 3.41 -0.78 -4.67 113.62 112.85 1dp0 n SER 647 Ca 0.03 -2.80 0.05 0.00 -0.26 0.00 0.00 58.87 55.89 1dp0 n SER 647 Cb 0.56 -1.54 0.26 0.00 -0.26 0.00 0.00 64.21 63.22 1dp0 n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1dp0 n ASP 648 N 6.34 3.76 -2.75 4.04 5.68 -1.26 -3.80 116.55 128.56 1dp0 n ASP 648 Ca 0.52 -2.46 -0.09 0.00 -0.50 0.00 0.00 54.79 52.26 1dp0 n ASP 648 Cb 0.39 -0.55 0.07 0.00 -1.14 0.00 0.00 41.12 39.89 1dp0 n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1dp0 n ASN 649 N 0.55 -0.51 -3.68 -1.12 5.15 -1.26 -5.05 115.26 109.34 1dp0 n ASN 649 Ca 0.18 -2.79 -0.14 0.00 -0.60 0.00 0.00 54.58 51.23 1dp0 n ASN 649 Cb 0.76 0.43 -0.08 0.00 -0.53 0.00 0.00 39.78 40.35 1dp0 n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1dp0 s GLU 650 N -1.23 0.67 0.07 1.20 8.01 -1.25 -4.10 118.70 122.07 1dp0 s GLU 650 Ca 0.26 0.66 0.02 0.00 0.01 0.00 0.00 54.97 55.92 1dp0 s GLU 650 Cb 0.40 0.32 -0.03 0.00 -4.31 0.00 0.00 34.13 30.51 1dp0 s GLU 650 CO -0.04 -0.10 -0.07 -0.48 0.01 0.00 0.00 175.26 174.58 1dp0 s LEU 651 N 0.08 2.39 -0.24 1.80 0.05 -0.35 -1.94 118.68 120.48 1dp0 s LEU 651 Ca -0.02 -0.80 -0.09 0.00 0.05 0.00 0.00 54.13 53.28 1dp0 s LEU 651 Cb -0.04 -0.09 -0.04 0.00 -2.05 0.00 0.00 46.19 43.97 1dp0 s LEU 651 CO 0.02 -0.36 0.11 -0.22 -0.55 0.00 0.00 176.35 175.35 1dp0 s LEU 652 N -2.37 3.79 -0.20 1.48 2.96 0.17 -1.23 118.68 123.28 1dp0 s LEU 652 Ca 0.02 -0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 1dp0 s LEU 652 Cb -0.02 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.62 1dp0 s LEU 652 CO -0.03 0.03 0.10 -1.00 -1.32 0.00 0.00 176.35 174.14 1dp0 s HIS 653 N 1.22 3.34 0.05 5.38 3.76 -0.42 -0.45 115.29 128.17 1dp0 s HIS 653 Ca 0.06 0.22 0.07 0.00 -0.15 0.00 0.00 55.06 55.25 1dp0 s HIS 653 Cb -0.14 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.39 1dp0 s HIS 653 CO 0.05 0.22 -0.19 1.67 -0.85 0.00 0.00 174.74 175.64 1dp0 s TRP 654 N 0.41 1.63 -0.06 1.40 1.48 -0.41 -0.66 118.94 122.75 1dp0 s TRP 654 Ca 0.06 -0.37 -0.04 0.00 -1.06 0.00 0.00 56.10 54.69 1dp0 s TRP 654 Cb -0.12 -0.97 0.02 0.00 -1.16 0.00 0.00 33.47 31.25 1dp0 s TRP 654 CO -0.01 0.08 0.14 1.41 -4.06 0.00 0.00 176.95 174.51 1dp0 s MET 655 N -1.21 0.12 -0.11 3.25 -2.45 -0.50 -0.54 119.30 117.86 1dp0 s MET 655 Ca 0.06 0.27 0.03 0.00 -1.25 0.00 0.00 55.69 54.79 1dp0 s MET 655 Cb -0.09 -0.04 -0.00 0.00 1.25 0.00 0.00 34.83 35.95 1dp0 s MET 655 CO 0.02 -0.09 -0.21 0.08 1.05 0.00 0.00 175.02 175.87 1dp0 s VAL 656 N 0.58 2.35 0.04 10.11 1.01 -0.06 -1.01 120.40 133.41 1dp0 s VAL 656 Ca -0.04 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1dp0 s VAL 656 Cb -0.06 -1.92 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1dp0 s VAL 656 CO -0.03 0.55 -0.05 0.00 0.00 0.00 0.00 175.10 175.57 1dp0 s ALA 657 N 0.32 0.37 -0.29 5.51 0.00 -0.39 -1.02 121.76 126.26 1dp0 s ALA 657 Ca -0.16 -0.74 -0.09 0.00 0.00 0.00 0.00 51.96 50.97 1dp0 s ALA 657 Cb -0.17 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1dp0 s ALA 657 CO 0.08 -0.12 0.12 -1.17 0.00 0.00 0.00 175.76 174.67 1dp0 s LEU 658 N -1.70 3.92 -1.67 0.00 2.96 0.25 -0.92 118.68 121.53 1dp0 s LEU 658 Ca -0.10 -0.47 -0.13 0.00 -0.22 0.00 0.00 54.13 53.20 1dp0 s LEU 658 Cb -0.08 -1.97 0.12 0.00 0.50 0.00 0.00 46.19 44.76 1dp0 s LEU 658 CO -0.01 -0.16 0.53 0.47 -1.32 0.00 0.00 176.35 175.86 1dp0 n ASP 659 N 4.95 -1.64 0.00 3.68 8.00 -0.52 0.77 116.55 131.80 1dp0 n ASP 659 Ca -0.14 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.24 1dp0 n ASP 659 Cb 0.49 -2.32 0.00 0.00 -0.02 0.00 0.00 41.12 39.27 1dp0 n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dp0 n GLY 660 N -1.64 2.26 3.56 0.44 0.00 -1.26 -4.88 105.19 103.67 1dp0 n GLY 660 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1dp0 n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dp0 s LYS 661 N -0.27 3.66 0.12 1.61 1.02 0.23 -4.68 119.74 121.44 1dp0 s LYS 661 Ca 0.00 -0.08 -0.31 0.00 0.02 0.00 0.00 55.97 55.59 1dp0 s LYS 661 Cb 0.00 -3.80 -0.10 0.00 -0.52 0.00 0.00 37.83 33.41 1dp0 s LYS 661 CO 0.00 -0.65 1.66 -2.14 -0.92 0.00 0.00 175.35 173.30 1dp0 s PRO 662 N 2.46 4.19 -0.16 -1.68 0.02 -1.26 0.87 135.00 139.43 1dp0 s PRO 662 Ca 0.20 2.42 0.05 0.00 0.02 0.00 0.00 61.00 63.69 1dp0 s PRO 662 Cb -0.15 -3.40 -0.13 0.00 0.02 0.00 0.00 34.50 30.84 1dp0 s PRO 662 CO 0.13 -0.71 -0.08 -0.11 -0.33 0.00 0.00 177.00 175.90 1dp0 n LEU 663 N 4.91 1.93 -3.62 -5.54 -0.00 -0.19 -4.87 117.00 109.62 1dp0 n LEU 663 Ca 0.16 -0.06 -0.02 0.00 -0.00 0.00 0.00 56.01 56.09 1dp0 n LEU 663 Cb 0.39 -0.27 -0.01 0.00 -0.00 0.00 0.00 43.42 43.53 1dp0 n LEU 663 CO 0.63 0.63 0.96 0.00 -0.00 0.00 0.00 177.39 179.60 1dp0 s ALA 664 N -2.33 -2.06 -0.09 1.96 0.00 -1.08 -5.01 121.76 113.14 1dp0 s ALA 664 Ca -0.17 0.91 -0.32 0.00 0.00 0.00 0.00 51.96 52.38 1dp0 s ALA 664 Cb 0.05 0.26 0.12 0.00 0.00 0.00 0.00 23.12 23.55 1dp0 s ALA 664 CO 0.45 -0.88 1.10 -1.54 0.00 0.00 0.00 175.76 174.89 1dp0 s SER 665 N -2.68 -0.20 0.18 0.00 1.04 -1.26 -0.89 113.70 109.89 1dp0 s SER 665 Ca 0.12 -0.05 -0.09 0.00 0.48 0.00 0.00 55.95 56.41 1dp0 s SER 665 Cb 0.02 0.24 0.03 0.00 0.10 0.00 0.00 66.02 66.41 1dp0 s SER 665 CO -0.04 -0.41 0.45 0.61 0.98 0.00 0.00 173.24 174.84 1dp0 n GLY 666 N -0.22 1.31 2.98 7.32 0.00 0.29 -4.98 105.19 111.90 1dp0 n GLY 666 Ca -0.04 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 1dp0 n GLY 666 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1dp0 s GLU 667 N -2.04 0.36 -0.05 1.61 2.02 -1.26 -1.28 118.70 118.06 1dp0 s GLU 667 Ca 0.09 -0.44 -0.03 0.00 0.02 0.00 0.00 54.97 54.62 1dp0 s GLU 667 Cb -0.02 -0.19 0.03 0.00 0.10 0.00 0.00 34.13 34.05 1dp0 s GLU 667 CO 0.05 0.04 0.11 0.08 0.02 0.00 0.00 175.26 175.56 1dp0 s VAL 668 N -0.83 -0.03 0.39 2.63 1.01 0.40 -4.97 120.40 119.00 1dp0 s VAL 668 Ca -0.06 0.12 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 1dp0 s VAL 668 Cb -0.06 -0.18 -0.09 0.00 0.00 0.00 0.00 36.38 36.05 1dp0 s VAL 668 CO -0.00 0.05 1.34 -2.84 0.00 0.00 0.00 175.10 173.64 1dp0 s PRO 669 N 0.72 4.07 -0.17 2.72 0.02 -1.26 0.43 135.00 141.52 1dp0 s PRO 669 Ca -0.06 2.25 -0.07 0.00 0.02 0.00 0.00 61.00 63.14 1dp0 s PRO 669 Cb -0.08 -2.86 -0.04 0.00 0.02 0.00 0.00 34.50 31.54 1dp0 s PRO 669 CO -0.03 -0.44 0.07 -0.51 -0.33 0.00 0.00 177.00 175.75 1dp0 s LEU 670 N -2.24 3.86 -0.41 -5.54 1.43 -0.82 -4.74 118.68 110.22 1dp0 s LEU 670 Ca 0.54 0.12 0.02 0.00 -1.03 0.00 0.00 54.13 53.78 1dp0 s LEU 670 Cb -0.40 -1.97 0.15 0.00 0.03 0.00 0.00 46.19 44.00 1dp0 s LEU 670 CO 0.52 0.20 0.28 -0.62 0.23 0.00 0.00 176.35 176.97 1dp0 s ASP 671 N 0.21 2.67 -0.11 2.29 2.15 -1.26 -4.73 116.67 117.90 1dp0 s ASP 671 Ca 0.04 -2.70 0.02 0.00 0.43 0.00 0.00 52.55 50.34 1dp0 s ASP 671 Cb -0.12 -0.62 0.01 0.00 -0.30 0.00 0.00 42.92 41.89 1dp0 s ASP 671 CO 0.00 -0.24 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.91 1dp0 s VAL 672 N 0.39 1.59 0.84 1.11 1.01 -1.26 -4.88 120.40 119.21 1dp0 s VAL 672 Ca 0.24 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.39 1dp0 s VAL 672 Cb -0.12 -1.43 0.10 0.00 0.00 0.00 0.00 36.38 34.92 1dp0 s VAL 672 CO -0.08 0.46 1.10 0.00 0.00 0.00 0.00 175.10 176.58 1dp0 s ALA 673 N 0.84 1.99 0.17 5.51 0.00 -1.26 -1.86 121.76 127.16 1dp0 s ALA 673 Ca -0.09 -0.24 -0.32 0.00 0.00 0.00 0.00 51.96 51.30 1dp0 s ALA 673 Cb -0.15 -3.11 -0.12 0.00 0.00 0.00 0.00 23.12 19.73 1dp0 s ALA 673 CO 0.00 -1.98 1.71 -0.35 0.00 0.00 0.00 175.76 175.14 1dp0 n PRO 674 N -3.60 2.59 -0.87 0.00 -0.04 -1.22 -0.52 135.00 131.35 1dp0 n PRO 674 Ca 0.07 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.47 1dp0 n PRO 674 Cb 0.57 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1dp0 n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1dp0 n GLN 675 N 4.15 -0.01 -2.35 0.54 1.13 -0.85 -4.94 117.38 115.07 1dp0 n GLN 675 Ca 0.17 0.00 -0.18 0.00 -1.94 0.00 0.00 57.00 55.05 1dp0 n GLN 675 Cb 0.33 -3.04 0.09 0.00 0.11 0.00 0.00 30.24 27.73 1dp0 n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1dp0 n GLY 676 N -2.00 1.07 3.39 1.08 0.00 0.32 -4.72 105.19 104.32 1dp0 n GLY 676 Ca 0.00 -2.08 -0.22 0.00 0.00 0.00 0.00 46.02 43.73 1dp0 n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1dp0 s LYS 677 N -4.49 1.44 -0.01 1.61 1.02 -1.26 -0.89 119.74 117.17 1dp0 s LYS 677 Ca 0.53 -1.60 0.01 0.00 0.02 0.00 0.00 55.97 54.94 1dp0 s LYS 677 Cb -0.03 -1.42 0.00 0.00 -0.52 0.00 0.00 37.83 35.86 1dp0 s LYS 677 CO 0.35 0.26 -0.03 -1.14 -0.92 0.00 0.00 175.35 173.87 1dp0 s GLN 678 N -3.33 0.30 -0.16 1.68 0.74 0.61 -4.83 119.66 114.67 1dp0 s GLN 678 Ca 0.23 -0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.50 1dp0 s GLN 678 Cb -0.04 -0.33 -0.03 0.00 1.10 0.00 0.00 33.01 33.72 1dp0 s GLN 678 CO 0.09 0.03 -0.00 -0.51 -0.55 0.00 0.00 175.29 174.35 1dp0 s LEU 679 N 0.14 3.44 -0.10 3.68 1.43 -1.26 -1.18 118.68 124.83 1dp0 s LEU 679 Ca -0.01 -0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1dp0 s LEU 679 Cb -0.04 -1.84 0.01 0.00 0.03 0.00 0.00 46.19 44.35 1dp0 s LEU 679 CO -0.00 0.18 -0.17 -0.63 0.23 0.00 0.00 176.35 175.95 1dp0 s ILE 680 N 0.32 1.61 -0.20 -0.59 1.01 -0.27 -4.97 121.20 118.10 1dp0 s ILE 680 Ca -0.01 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.82 1dp0 s ILE 680 Cb -0.13 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 1dp0 s ILE 680 CO 0.02 0.46 0.10 -0.70 0.00 0.00 0.00 174.94 174.82 1dp0 s GLU 681 N 0.76 4.00 0.53 2.79 2.12 -1.26 -1.09 118.70 126.56 1dp0 s GLU 681 Ca -0.11 -0.32 -0.16 0.00 0.36 0.00 0.00 54.97 54.74 1dp0 s GLU 681 Cb -0.16 -3.33 -0.07 0.00 0.26 0.00 0.00 34.13 30.83 1dp0 s GLU 681 CO 0.02 0.18 1.00 -0.51 -0.54 0.00 0.00 175.26 175.42 1dp0 s LEU 682 N 0.65 3.60 0.94 2.70 1.43 0.10 -5.00 118.68 123.09 1dp0 s LEU 682 Ca 0.05 1.64 -0.11 0.00 -1.03 0.00 0.00 54.13 54.69 1dp0 s LEU 682 Cb -0.13 -4.52 0.16 0.00 0.03 0.00 0.00 46.19 41.74 1dp0 s LEU 682 CO 0.01 -0.74 1.12 -2.84 0.23 0.00 0.00 176.35 174.14 1dp0 s PRO 683 N -4.05 0.84 0.21 1.29 0.02 -1.26 -4.92 135.00 127.13 1dp0 s PRO 683 Ca 0.60 1.37 -0.31 0.00 0.02 0.00 0.00 61.00 62.69 1dp0 s PRO 683 Cb -0.12 -1.72 -0.10 0.00 0.02 0.00 0.00 34.50 32.58 1dp0 s PRO 683 CO 0.32 -2.70 1.50 -2.00 -0.33 0.00 0.00 177.00 173.80 1dp0 s GLU 684 N -4.66 4.24 -0.31 5.54 2.12 -1.26 -4.94 118.70 119.43 1dp0 s GLU 684 Ca 0.66 2.33 -0.07 0.00 0.36 0.00 0.00 54.97 58.26 1dp0 s GLU 684 Cb -0.22 -3.13 0.02 0.00 0.26 0.00 0.00 34.13 31.06 1dp0 s GLU 684 CO 0.59 -0.51 0.09 -0.51 -0.54 0.00 0.00 175.26 174.37 1dp0 s LEU 685 N 0.34 4.01 0.77 2.70 1.43 -1.26 -5.05 118.68 121.61 1dp0 s LEU 685 Ca 0.64 -0.85 -0.16 0.00 -1.03 0.00 0.00 54.13 52.73 1dp0 s LEU 685 Cb -0.43 -1.88 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 1dp0 s LEU 685 CO 0.38 -0.24 0.23 -0.81 0.23 0.00 0.00 176.35 176.14 1dp0 n PRO 686 N 4.85 0.13 -2.68 1.29 -0.04 -1.26 -4.91 135.00 132.37 1dp0 n PRO 686 Ca -0.14 0.07 -0.41 0.00 -0.04 0.00 0.00 63.50 62.99 1dp0 n PRO 686 Cb 0.47 -1.61 -0.05 0.00 -0.04 0.00 0.00 33.50 32.27 1dp0 n PRO 686 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1dp0 s GLN 687 N -2.57 4.74 0.54 0.54 1.11 -1.26 -5.02 119.66 117.75 1dp0 s GLN 687 Ca 0.59 1.55 -0.21 0.00 0.01 0.00 0.00 55.36 57.30 1dp0 s GLN 687 Cb -0.32 -3.30 -0.05 0.00 -1.01 0.00 0.00 33.01 28.33 1dp0 s GLN 687 CO 0.64 0.31 1.30 -1.25 0.01 0.00 0.00 175.29 176.31 1dp0 s PRO 688 N -0.68 3.18 0.18 2.91 0.04 -1.26 -4.96 135.00 134.41 1dp0 s PRO 688 Ca 0.45 2.10 -0.17 0.00 0.04 0.00 0.00 61.00 63.42 1dp0 s PRO 688 Cb -0.26 -2.22 0.12 0.00 0.04 0.00 0.00 34.50 32.18 1dp0 s PRO 688 CO 0.33 -1.11 1.65 0.93 0.04 0.00 0.00 177.00 178.84 1dp0 h GLU 689 N 1.43 -0.02 0.00 4.56 5.08 -2.03 -3.46 114.58 120.14 1dp0 h GLU 689 Ca -0.51 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1dp0 h GLU 689 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1dp0 h GLU 689 CO 0.57 -0.01 0.00 -1.13 -1.00 0.00 0.00 179.01 177.44 1dp0 n SER 690 N -5.34 0.10 -4.71 1.42 3.41 -1.26 -5.16 113.62 102.07 1dp0 n SER 690 Ca 0.03 -0.89 -0.32 0.00 -0.26 0.00 0.00 58.87 57.43 1dp0 n SER 690 Cb 0.25 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.33 1dp0 n SER 690 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dp0 s ALA 691 N -2.00 1.86 0.00 7.33 0.00 -1.26 -4.91 121.76 122.78 1dp0 s ALA 691 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1dp0 s ALA 691 Cb 0.00 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1dp0 s ALA 691 CO 0.00 -2.25 0.00 0.41 0.00 0.00 0.00 175.76 173.92 1dp0 n GLY 692 N -0.17 0.95 3.56 0.00 0.00 -0.10 -4.94 105.19 104.49 1dp0 n GLY 692 Ca 0.11 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 1dp0 n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dp0 s GLN 693 N -1.16 3.83 0.11 1.61 2.00 -1.26 -1.47 119.66 123.33 1dp0 s GLN 693 Ca 0.00 -0.41 -0.22 0.00 -2.00 0.00 0.00 55.36 52.73 1dp0 s GLN 693 Cb 0.00 -3.20 -0.07 0.00 0.80 0.00 0.00 33.01 30.54 1dp0 s GLN 693 CO 0.00 0.13 0.66 -0.51 -0.50 0.00 0.00 175.29 175.06 1dp0 s LEU 694 N 0.75 4.55 -0.02 3.68 1.43 -0.67 -1.44 118.68 126.96 1dp0 s LEU 694 Ca 0.03 1.42 0.03 0.00 -1.03 0.00 0.00 54.13 54.58 1dp0 s LEU 694 Cb -0.14 -3.07 -0.00 0.00 0.03 0.00 0.00 46.19 43.01 1dp0 s LEU 694 CO 0.02 0.25 -0.12 0.26 0.23 0.00 0.00 176.35 176.99 1dp0 s TRP 695 N -1.13 1.15 -0.20 0.29 0.52 -0.10 -0.52 118.94 118.95 1dp0 s TRP 695 Ca 0.32 -0.26 -0.07 0.00 0.02 0.00 0.00 56.10 56.10 1dp0 s TRP 695 Cb -0.21 -0.77 -0.04 0.00 -1.15 0.00 0.00 33.47 31.30 1dp0 s TRP 695 CO 0.22 -0.07 0.06 -1.17 0.02 0.00 0.00 176.95 176.00 1dp0 s LEU 696 N -0.05 3.66 -0.12 2.99 2.96 -0.01 -1.26 118.68 126.85 1dp0 s LEU 696 Ca 0.00 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1dp0 s LEU 696 Cb -0.07 -1.94 0.01 0.00 0.50 0.00 0.00 46.19 44.69 1dp0 s LEU 696 CO 0.00 0.11 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.05 1dp0 s THR 697 N 0.72 1.89 0.11 3.68 2.01 -0.18 -0.59 115.64 123.29 1dp0 s THR 697 Ca 0.03 -0.90 0.09 0.00 0.31 0.00 0.00 61.69 61.23 1dp0 s THR 697 Cb -0.13 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.67 1dp0 s THR 697 CO 0.02 0.52 -0.23 0.68 -0.69 0.00 0.00 174.62 174.92 1dp0 s VAL 698 N 0.67 1.94 0.01 3.82 -7.23 0.28 -1.41 120.40 118.48 1dp0 s VAL 698 Ca -0.12 -1.63 0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1dp0 s VAL 698 Cb -0.16 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 1dp0 s VAL 698 CO 0.02 0.00 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.64 1dp0 s ARG 699 N -1.96 0.37 -0.21 4.82 0.52 0.17 -1.68 118.95 120.97 1dp0 s ARG 699 Ca 0.09 -0.33 -0.14 0.00 -0.52 0.00 0.00 55.73 54.83 1dp0 s ARG 699 Cb -0.10 -0.27 -0.04 0.00 0.52 0.00 0.00 34.95 35.06 1dp0 s ARG 699 CO 0.05 0.07 0.33 0.08 0.02 0.00 0.00 175.30 175.85 1dp0 s VAL 700 N -0.52 5.24 -0.06 3.52 1.01 0.11 -1.31 120.40 128.40 1dp0 s VAL 700 Ca -0.03 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.56 1dp0 s VAL 700 Cb -0.04 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1dp0 s VAL 700 CO -0.00 0.27 -0.22 -0.69 0.00 0.00 0.00 175.10 174.46 1dp0 s VAL 701 N 1.27 2.31 -0.37 2.92 1.01 -0.37 -1.36 120.40 125.82 1dp0 s VAL 701 Ca 0.16 -0.98 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 1dp0 s VAL 701 Cb -0.14 -1.86 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 1dp0 s VAL 701 CO 0.07 0.57 0.42 -1.10 0.00 0.00 0.00 175.10 175.06 1dp0 s GLN 702 N -0.29 3.46 0.30 2.72 -0.21 0.70 -1.21 119.66 125.12 1dp0 s GLN 702 Ca 0.01 -0.44 0.13 0.00 0.02 0.00 0.00 55.36 55.08 1dp0 s GLN 702 Cb -0.13 -3.85 0.42 0.00 1.00 0.00 0.00 33.01 30.45 1dp0 s GLN 702 CO 0.03 -0.64 1.63 -1.00 -2.12 0.00 0.00 175.29 173.18 1dp0 h PRO 703 N 8.54 0.00 -6.08 2.91 0.13 -1.88 0.59 132.00 136.21 1dp0 h PRO 703 Ca -0.28 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.20 1dp0 h PRO 703 Cb 1.13 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.16 1dp0 h PRO 703 CO 0.74 0.56 -0.59 -0.80 -0.23 0.00 0.00 178.00 177.68 1dp0 s ASN 704 N -6.70 5.59 0.67 1.44 0.02 -1.26 -3.76 114.94 110.94 1dp0 s ASN 704 Ca -0.01 0.08 -0.16 0.00 -1.02 0.00 0.00 52.86 51.76 1dp0 s ASN 704 Cb 0.12 -1.56 0.01 0.00 0.02 0.00 0.00 41.25 39.84 1dp0 s ASN 704 CO 0.74 0.24 1.17 0.00 0.02 0.00 0.00 177.10 179.27 1dp0 s ALA 705 N -1.25 2.35 0.38 0.60 0.00 -1.26 -4.51 121.76 118.06 1dp0 s ALA 705 Ca 0.25 0.78 0.02 0.00 0.00 0.00 0.00 51.96 53.01 1dp0 s ALA 705 Cb -0.12 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1dp0 s ALA 705 CO 0.17 -1.47 0.08 0.25 0.00 0.00 0.00 175.76 174.78 1dp0 n THR 706 N -2.33 0.00 0.28 0.00 -2.24 -0.15 -4.93 114.28 104.90 1dp0 n THR 706 Ca 0.12 -2.03 0.17 0.00 -2.27 0.00 0.00 64.05 60.04 1dp0 n THR 706 Cb 0.51 0.61 0.77 0.00 -2.10 0.00 0.00 70.33 70.12 1dp0 n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1dp0 h ALA 707 N 1.45 1.05 -0.04 6.98 0.00 -1.99 -3.19 119.26 123.52 1dp0 h ALA 707 Ca -0.30 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1dp0 h ALA 707 Cb 1.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1dp0 h ALA 707 CO 0.49 0.06 0.00 -2.67 0.00 0.00 0.00 179.25 177.13 1dp0 n TRP 708 N -3.23 0.05 -3.76 0.00 4.27 -1.26 -5.05 117.44 108.45 1dp0 n TRP 708 Ca -0.01 -0.16 -0.10 0.00 -3.89 0.00 0.00 57.50 53.34 1dp0 n TRP 708 Cb 0.26 -0.01 -0.06 0.00 -1.36 0.00 0.00 31.31 30.14 1dp0 n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 1dp0 s SER 709 N -0.54 -0.05 0.50 -0.67 1.04 -1.21 -4.67 113.70 108.11 1dp0 s SER 709 Ca 0.06 -0.52 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 1dp0 s SER 709 Cb 0.03 0.41 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 1dp0 s SER 709 CO 0.05 -0.81 0.80 -1.61 0.98 0.00 0.00 173.24 172.65 1dp0 s GLU 710 N -3.84 3.29 0.42 4.02 0.41 -1.26 -0.98 118.70 120.76 1dp0 s GLU 710 Ca 0.05 0.03 -0.26 0.00 -0.41 0.00 0.00 54.97 54.38 1dp0 s GLU 710 Cb 0.03 -2.38 -0.09 0.00 -1.78 0.00 0.00 34.13 29.92 1dp0 s GLU 710 CO -0.10 -0.35 1.38 0.00 -0.49 0.00 0.00 175.26 175.69 1dp0 s ALA 711 N -2.78 3.28 0.00 5.21 0.00 -1.26 -2.04 121.76 124.16 1dp0 s ALA 711 Ca 0.49 1.37 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1dp0 s ALA 711 Cb -0.10 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1dp0 s ALA 711 CO 0.44 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.59 1dp0 n GLY 712 N 0.61 0.85 3.70 0.00 0.00 0.21 -4.91 105.19 105.64 1dp0 n GLY 712 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1dp0 n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1dp0 n HIS 713 N -2.00 2.34 -3.63 1.61 -0.00 -0.87 -4.58 115.22 108.10 1dp0 n HIS 713 Ca 0.00 0.52 -0.38 0.00 0.46 0.00 0.00 57.72 58.32 1dp0 n HIS 713 Cb 0.00 -2.44 -0.11 0.00 -0.12 0.00 0.00 29.99 27.32 1dp0 n HIS 713 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1dp0 s ILE 714 N -0.92 5.17 -0.53 3.57 1.01 -1.26 -0.22 121.20 128.02 1dp0 s ILE 714 Ca 0.57 0.12 0.16 0.00 0.00 0.00 0.00 60.65 61.50 1dp0 s ILE 714 Cb -0.57 -3.45 -0.19 0.00 0.01 0.00 0.00 42.46 38.26 1dp0 s ILE 714 CO 0.60 0.28 0.57 -1.54 0.00 0.00 0.00 174.94 174.85 1dp0 n SER 715 N 4.93 0.90 -3.51 3.58 3.41 -0.47 -5.01 113.62 117.46 1dp0 n SER 715 Ca -0.14 -0.62 -0.13 0.00 -0.26 0.00 0.00 58.87 57.72 1dp0 n SER 715 Cb 0.52 1.22 -0.04 0.00 -0.26 0.00 0.00 64.21 65.64 1dp0 n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dp0 s ALA 716 N -2.67 -1.79 0.20 7.33 0.00 -1.24 -4.70 121.76 118.90 1dp0 s ALA 716 Ca 0.02 1.18 -0.16 0.00 0.00 0.00 0.00 51.96 53.01 1dp0 s ALA 716 Cb 0.11 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1dp0 s ALA 716 CO 0.65 -0.48 0.49 1.67 0.00 0.00 0.00 175.76 178.09 1dp0 s TRP 717 N -1.98 0.01 -0.06 0.00 -2.14 -1.26 0.05 118.94 113.56 1dp0 s TRP 717 Ca -0.04 -0.36 -0.29 0.00 2.66 0.00 0.00 56.10 58.07 1dp0 s TRP 717 Cb -0.00 0.32 0.11 0.00 -3.10 0.00 0.00 33.47 30.79 1dp0 s TRP 717 CO 0.00 -0.91 0.90 -1.14 -2.66 0.00 0.00 176.95 173.14 1dp0 s GLN 718 N -3.91 0.78 0.09 3.25 2.00 -0.68 -4.98 119.66 116.21 1dp0 s GLN 718 Ca 0.12 -0.09 0.02 0.00 -2.00 0.00 0.00 55.36 53.41 1dp0 s GLN 718 Cb -0.01 0.36 -0.04 0.00 0.80 0.00 0.00 33.01 34.13 1dp0 s GLN 718 CO -0.01 -0.30 -0.07 -0.65 -0.50 0.00 0.00 175.29 173.77 1dp0 s GLN 719 N -2.23 0.80 0.02 1.67 -0.21 -1.26 -0.56 119.66 117.90 1dp0 s GLN 719 Ca 0.01 -1.28 -0.09 0.00 0.02 0.00 0.00 55.36 54.02 1dp0 s GLN 719 Cb -0.01 -0.21 0.00 0.00 1.00 0.00 0.00 33.01 33.79 1dp0 s GLN 719 CO -0.03 -0.01 0.17 -1.58 -2.12 0.00 0.00 175.29 171.72 1dp0 s TRP 720 N -3.42 0.05 0.14 0.91 0.51 0.24 -4.99 118.94 112.38 1dp0 s TRP 720 Ca 0.10 -0.22 -0.27 0.00 -2.12 0.00 0.00 56.10 53.59 1dp0 s TRP 720 Cb 0.04 -0.04 -0.07 0.00 -0.81 0.00 0.00 33.47 32.59 1dp0 s TRP 720 CO -0.04 -0.37 0.86 1.03 -0.51 0.00 0.00 176.95 177.91 1dp0 s ARG 721 N -2.08 4.65 0.00 4.98 0.52 -1.26 -0.83 118.95 124.93 1dp0 s ARG 721 Ca -0.09 1.29 0.00 0.00 -0.52 0.00 0.00 55.73 56.41 1dp0 s ARG 721 Cb -0.04 -3.32 0.00 0.00 0.52 0.00 0.00 34.95 32.12 1dp0 s ARG 721 CO -0.01 0.41 0.00 1.28 0.02 0.00 0.00 175.30 176.99 1dp0 n LEU 722 N 2.14 0.00 -4.77 2.53 4.77 0.32 -4.89 117.00 117.10 1dp0 n LEU 722 Ca -0.02 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.62 1dp0 n LEU 722 Cb 0.49 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.60 1dp0 n LEU 722 CO 0.48 0.00 0.77 0.00 -1.33 0.00 0.00 177.39 177.31 1dp0 s ALA 723 N -3.03 2.58 -0.04 -1.18 0.00 -1.26 -4.69 121.76 114.14 1dp0 s ALA 723 Ca 0.00 0.72 0.05 0.00 0.00 0.00 0.00 51.96 52.73 1dp0 s ALA 723 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1dp0 s ALA 723 CO 0.00 -1.03 -0.18 -2.00 0.00 0.00 0.00 175.76 172.55 1dp0 s GLU 724 N -3.64 1.80 -0.33 0.00 2.12 -1.26 -1.67 118.70 115.71 1dp0 s GLU 724 Ca 0.71 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 55.42 1dp0 s GLU 724 Cb -0.23 -1.59 0.10 0.00 0.26 0.00 0.00 34.13 32.66 1dp0 s GLU 724 CO 0.34 0.30 0.04 -0.80 -0.54 0.00 0.00 175.26 174.59 1dp0 s ASN 725 N -0.10 4.69 0.50 -1.70 0.01 -0.54 -4.97 114.94 112.82 1dp0 s ASN 725 Ca -0.01 -2.06 -0.22 0.00 -0.71 0.00 0.00 52.86 49.86 1dp0 s ASN 725 Cb -0.11 -1.57 -0.06 0.00 0.41 0.00 0.00 41.25 39.92 1dp0 s ASN 725 CO 0.02 -0.37 1.21 -0.76 -1.51 0.00 0.00 177.10 175.69 1dp0 s LEU 726 N 0.97 3.92 -0.07 0.60 1.43 -1.26 -0.92 118.68 123.35 1dp0 s LEU 726 Ca 0.09 2.40 -0.30 0.00 -1.03 0.00 0.00 54.13 55.29 1dp0 s LEU 726 Cb -0.19 -4.31 -0.03 0.00 0.03 0.00 0.00 46.19 41.69 1dp0 s LEU 726 CO -0.09 -1.14 1.17 -0.55 0.23 0.00 0.00 176.35 175.97 1dp0 s SER 727 N -1.33 7.08 0.00 2.29 0.15 -1.26 -4.86 113.70 115.77 1dp0 s SER 727 Ca 0.67 1.75 0.00 0.00 0.70 0.00 0.00 55.95 59.07 1dp0 s SER 727 Cb -0.31 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.45 1dp0 s SER 727 CO 0.37 -0.57 0.82 1.33 1.20 0.00 0.00 173.24 176.38 1dp0 n VAL 728 N 4.67 0.67 -3.40 4.45 0.24 -1.26 -5.00 118.33 118.70 1dp0 n VAL 728 Ca 0.11 -0.77 -0.38 0.00 -2.04 0.00 0.00 64.34 61.26 1dp0 n VAL 728 Cb 0.46 0.69 -0.08 0.00 -1.47 0.00 0.00 33.84 33.45 1dp0 n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1dp0 s THR 729 N -0.67 5.20 0.35 3.34 -4.23 -1.26 -4.99 115.64 113.38 1dp0 s THR 729 Ca 0.00 0.69 -0.29 0.00 -1.18 0.00 0.00 61.69 60.91 1dp0 s THR 729 Cb 0.00 -3.72 -0.11 0.00 1.34 0.00 0.00 72.50 70.01 1dp0 s THR 729 CO 0.00 0.25 1.51 0.00 -0.54 0.00 0.00 174.62 175.84 1dp0 n LEU 730 N 4.49 4.62 -4.76 4.79 -0.00 -1.26 -4.96 117.00 119.92 1dp0 n LEU 730 Ca -0.09 1.21 -0.40 0.00 -0.00 0.00 0.00 56.01 56.73 1dp0 n LEU 730 Cb 0.51 -1.61 -0.05 0.00 -0.00 0.00 0.00 43.42 42.27 1dp0 n LEU 730 CO 0.40 0.13 0.74 -2.84 -0.00 0.00 0.00 177.39 175.82 1dp0 s PRO 731 N -1.69 4.66 -0.23 1.47 0.02 -1.26 -4.95 135.00 133.02 1dp0 s PRO 731 Ca 0.56 1.67 -0.31 0.00 0.02 0.00 0.00 61.00 62.94 1dp0 s PRO 731 Cb -0.49 -3.14 -0.07 0.00 0.02 0.00 0.00 34.50 30.82 1dp0 s PRO 731 CO 0.60 0.27 2.18 0.00 -0.33 0.00 0.00 177.00 179.72 1dp0 n ALA 732 N 1.14 1.52 -2.15 -1.55 0.00 -1.26 -4.86 120.51 113.35 1dp0 n ALA 732 Ca -0.01 -0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1dp0 n ALA 732 Cb 0.46 -2.78 -0.03 0.00 0.00 0.00 0.00 19.45 17.10 1dp0 n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dp0 s ALA 733 N 7.55 3.60 -0.01 0.00 0.00 -1.26 -4.92 121.76 126.72 1dp0 s ALA 733 Ca 1.02 1.07 -0.07 0.00 0.00 0.00 0.00 51.96 53.98 1dp0 s ALA 733 Cb -0.51 -3.57 -0.03 0.00 0.00 0.00 0.00 23.12 19.00 1dp0 s ALA 733 CO 0.41 -0.75 0.20 0.43 0.00 0.00 0.00 175.76 176.05 1dp0 n SER 734 N 4.49 0.03 -0.73 0.00 7.64 -1.26 -4.89 113.62 118.91 1dp0 n SER 734 Ca 0.12 0.20 0.05 0.00 1.01 0.00 0.00 58.87 60.25 1dp0 n SER 734 Cb 0.42 -0.16 0.15 0.00 -1.01 0.00 0.00 64.21 63.62 1dp0 n SER 734 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1dp0 n HIS 735 N 0.33 0.56 -3.47 1.43 -0.00 -1.26 -4.88 115.22 107.93 1dp0 n HIS 735 Ca 0.04 -0.24 -0.13 0.00 -0.00 0.00 0.00 57.72 57.39 1dp0 n HIS 735 Cb 0.01 -0.08 -0.03 0.00 -0.00 0.00 0.00 29.99 29.89 1dp0 n HIS 735 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1dp0 s ALA 736 N -1.63 -1.70 -0.05 -1.41 0.00 -1.26 -5.17 121.76 110.54 1dp0 s ALA 736 Ca 0.22 0.87 0.06 0.00 0.00 0.00 0.00 51.96 53.11 1dp0 s ALA 736 Cb 0.13 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.71 1dp0 s ALA 736 CO 0.12 -0.61 -0.23 -1.50 0.00 0.00 0.00 175.76 173.54 1dp0 s ILE 737 N -2.75 1.91 0.64 0.00 1.10 -1.26 -3.84 121.20 117.01 1dp0 s ILE 737 Ca -0.02 -0.99 -0.16 0.00 -0.51 0.00 0.00 60.65 58.96 1dp0 s ILE 737 Cb -0.01 -1.62 -0.01 0.00 0.15 0.00 0.00 42.46 40.98 1dp0 s ILE 737 CO -0.05 0.54 1.15 -2.84 -2.11 0.00 0.00 174.94 171.63 1dp0 s PRO 738 N -0.17 2.78 -0.15 3.50 0.02 -1.26 -4.95 135.00 134.77 1dp0 s PRO 738 Ca -0.02 1.58 -0.03 0.00 0.02 0.00 0.00 61.00 62.55 1dp0 s PRO 738 Cb -0.13 -1.93 -0.02 0.00 0.02 0.00 0.00 34.50 32.44 1dp0 s PRO 738 CO 0.03 -1.30 -0.07 -1.58 -0.33 0.00 0.00 177.00 173.75 1dp0 s HIS 739 N -2.05 2.95 -0.10 6.54 2.46 0.57 -4.80 115.29 120.85 1dp0 s HIS 739 Ca 0.71 -0.46 -0.14 0.00 0.47 0.00 0.00 55.06 55.64 1dp0 s HIS 739 Cb -0.24 -1.93 -0.05 0.00 -0.13 0.00 0.00 32.58 30.23 1dp0 s HIS 739 CO 0.38 -0.13 0.33 -1.17 -2.47 0.00 0.00 174.74 171.68 1dp0 s LEU 740 N 0.45 4.33 -0.13 8.88 2.96 -1.26 -1.11 118.68 132.80 1dp0 s LEU 740 Ca -0.06 0.68 0.02 0.00 -0.22 0.00 0.00 54.13 54.56 1dp0 s LEU 740 Cb -0.15 -2.44 0.01 0.00 0.50 0.00 0.00 46.19 44.11 1dp0 s LEU 740 CO 0.03 0.19 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.15 1dp0 s THR 741 N -0.15 1.98 -0.15 3.68 2.01 0.19 -4.96 115.64 118.23 1dp0 s THR 741 Ca 0.20 -0.93 -0.04 0.00 0.31 0.00 0.00 61.69 61.22 1dp0 s THR 741 Cb -0.14 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1dp0 s THR 741 CO 0.07 0.53 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.63 1dp0 s THR 742 N 0.80 4.08 0.21 -0.82 2.01 -1.26 -0.15 115.64 120.50 1dp0 s THR 742 Ca -0.08 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.63 1dp0 s THR 742 Cb -0.16 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1dp0 s THR 742 CO -0.01 0.51 0.06 -0.94 -0.69 0.00 0.00 174.62 173.55 1dp0 s SER 743 N 0.16 1.01 0.25 3.53 1.04 0.01 -4.99 113.70 114.71 1dp0 s SER 743 Ca -0.00 -1.29 -0.05 0.00 0.48 0.00 0.00 55.95 55.09 1dp0 s SER 743 Cb -0.13 0.18 0.31 0.00 0.10 0.00 0.00 66.02 66.47 1dp0 s SER 743 CO 0.02 -0.68 1.90 -0.33 0.98 0.00 0.00 173.24 175.14 1dp0 h GLU 744 N 2.57 1.21 0.04 4.02 4.39 -2.03 -3.06 114.58 121.72 1dp0 h GLU 744 Ca -0.37 -0.07 -0.25 0.00 0.34 0.00 0.00 59.36 59.01 1dp0 h GLU 744 Cb 1.23 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 1dp0 h GLU 744 CO 0.60 0.80 -1.24 0.52 -1.16 0.00 0.00 179.01 178.54 1dp0 h MET 745 N 1.25 0.08 -3.74 2.33 2.86 -1.97 -3.45 114.93 112.29 1dp0 h MET 745 Ca 0.38 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.80 1dp0 h MET 745 Cb -0.02 0.05 -0.12 0.00 0.06 0.00 0.00 31.60 31.57 1dp0 h MET 745 CO -0.12 0.97 -0.25 -0.51 1.06 0.00 0.00 176.91 178.06 1dp0 s ASP 746 N -6.72 -0.02 -0.23 1.22 1.11 -1.16 -0.06 116.67 110.81 1dp0 s ASP 746 Ca -0.02 -0.75 -0.04 0.00 0.18 0.00 0.00 52.55 51.92 1dp0 s ASP 746 Cb 0.09 0.45 -0.01 0.00 1.07 0.00 0.00 42.92 44.52 1dp0 s ASP 746 CO 0.84 -0.90 -0.02 -0.36 1.18 0.00 0.00 175.17 175.90 1dp0 s PHE 747 N -3.93 2.99 0.10 4.23 2.99 -0.54 -0.81 117.98 123.02 1dp0 s PHE 747 Ca 0.13 -0.96 0.09 0.00 0.00 0.00 0.00 56.93 56.19 1dp0 s PHE 747 Cb 0.03 -2.12 -0.04 0.00 0.00 0.00 0.00 43.02 40.88 1dp0 s PHE 747 CO -0.02 -0.55 -0.17 0.00 -0.00 0.00 0.00 175.22 174.47 1dp0 s ILE 749 N -1.11 1.25 -0.02 0.00 1.09 -0.24 0.53 121.20 122.69 1dp0 s ILE 749 Ca 0.18 -0.59 0.06 0.00 -1.10 0.00 0.00 60.65 59.19 1dp0 s ILE 749 Cb -0.11 -1.09 -0.01 0.00 -1.06 0.00 0.00 42.46 40.19 1dp0 s ILE 749 CO 0.10 0.37 -0.19 -0.70 -0.10 0.00 0.00 174.94 174.41 1dp0 s GLU 750 N 0.26 1.62 -0.27 2.79 2.12 -0.26 -0.21 118.70 124.74 1dp0 s GLU 750 Ca -0.07 -0.68 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1dp0 s GLU 750 Cb -0.12 -1.53 0.16 0.00 0.26 0.00 0.00 34.13 32.89 1dp0 s GLU 750 CO 0.03 0.39 0.45 -1.17 -0.54 0.00 0.00 175.26 174.41 1dp0 s LEU 751 N -0.37 -0.92 0.00 2.70 2.96 -0.50 -0.32 118.68 122.23 1dp0 s LEU 751 Ca 0.06 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1dp0 s LEU 751 Cb -0.08 1.39 0.00 0.00 0.50 0.00 0.00 46.19 47.99 1dp0 s LEU 751 CO -0.00 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.33 1dp0 n GLY 752 N 5.38 2.79 0.11 7.98 0.00 -1.26 0.61 105.19 120.79 1dp0 n GLY 752 Ca -0.01 0.32 0.15 0.00 0.00 0.00 0.00 46.02 46.48 1dp0 n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1dp0 n ASN 753 N 7.65 0.35 -4.64 1.61 6.94 -1.26 -4.89 115.26 121.02 1dp0 n ASN 753 Ca 0.00 -0.95 -0.25 0.00 -0.02 0.00 0.00 54.58 53.36 1dp0 n ASN 753 Cb 0.00 -0.04 -0.08 0.00 -2.36 0.00 0.00 39.78 37.30 1dp0 n ASN 753 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1dp0 s LYS 754 N -2.12 2.31 -0.11 -3.83 1.02 0.20 -1.41 119.74 115.80 1dp0 s LYS 754 Ca 0.41 -1.24 -0.09 0.00 0.02 0.00 0.00 55.97 55.08 1dp0 s LYS 754 Cb 0.21 -2.26 0.03 0.00 -0.52 0.00 0.00 37.83 35.30 1dp0 s LYS 754 CO 0.39 0.42 0.28 0.50 -0.92 0.00 0.00 175.35 176.02 1dp0 s ARG 755 N -3.17 0.31 -0.11 1.68 3.52 -0.83 -1.41 118.95 118.95 1dp0 s ARG 755 Ca 0.28 0.45 0.03 0.00 -0.13 0.00 0.00 55.73 56.36 1dp0 s ARG 755 Cb -0.08 0.09 -0.00 0.00 -1.56 0.00 0.00 34.95 33.39 1dp0 s ARG 755 CO 0.18 -0.07 -0.21 -1.58 -0.81 0.00 0.00 175.30 172.81 1dp0 s TRP 756 N 0.47 2.62 -0.18 5.12 0.51 0.70 -1.01 118.94 127.18 1dp0 s TRP 756 Ca -0.03 -0.95 -0.00 0.00 -2.12 0.00 0.00 56.10 53.00 1dp0 s TRP 756 Cb -0.04 -1.74 0.00 0.00 -0.81 0.00 0.00 33.47 30.88 1dp0 s TRP 756 CO -0.02 -0.37 -0.14 -1.14 -0.51 0.00 0.00 176.95 174.76 1dp0 s GLN 757 N 0.34 3.19 -0.27 4.98 0.74 -0.00 -1.08 119.66 127.56 1dp0 s GLN 757 Ca -0.17 -0.74 -0.06 0.00 0.05 0.00 0.00 55.36 54.43 1dp0 s GLN 757 Cb -0.17 -2.70 -0.00 0.00 1.10 0.00 0.00 33.01 31.24 1dp0 s GLN 757 CO 0.08 -0.09 0.06 -0.06 -0.55 0.00 0.00 175.29 174.72 1dp0 s PHE 758 N 1.09 3.10 0.00 1.67 0.40 -0.51 -0.85 117.98 122.88 1dp0 s PHE 758 Ca 0.00 -0.86 -0.30 0.00 -0.60 0.00 0.00 56.93 55.17 1dp0 s PHE 758 Cb -0.14 -2.22 -0.05 0.00 0.51 0.00 0.00 43.02 41.11 1dp0 s PHE 758 CO -0.04 -0.53 1.31 1.21 0.70 0.00 0.00 175.22 177.87 1dp0 s ASN 759 N 1.52 6.95 0.35 1.36 3.84 0.18 -1.47 114.94 127.67 1dp0 s ASN 759 Ca 0.04 2.02 0.25 0.00 0.21 0.00 0.00 52.86 55.38 1dp0 s ASN 759 Cb -0.16 -2.56 0.62 0.00 -0.55 0.00 0.00 41.25 38.59 1dp0 s ASN 759 CO 0.02 -0.63 1.70 0.03 -2.79 0.00 0.00 177.10 175.43 1dp0 h ARG 760 N 7.48 0.00 0.00 0.43 3.08 -0.78 0.42 114.38 125.02 1dp0 h ARG 760 Ca -0.38 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.53 1dp0 h ARG 760 Cb 1.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 1dp0 h ARG 760 CO 0.88 0.00 -1.37 1.04 -1.07 0.00 0.00 179.97 179.45 1dp0 n GLN 761 N -2.74 0.62 -0.04 0.04 3.00 -1.26 -4.22 117.38 112.78 1dp0 n GLN 761 Ca 0.04 0.21 -0.01 0.00 -0.01 0.00 0.00 57.00 57.23 1dp0 n GLN 761 Cb 0.46 -1.81 -0.15 0.00 0.00 0.00 0.00 30.24 28.75 1dp0 n GLN 761 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 1dp0 n SER 762 N -2.86 0.18 -0.02 1.08 3.41 -1.20 -4.85 113.62 109.36 1dp0 n SER 762 Ca -0.09 0.08 -0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1dp0 n SER 762 Cb 0.80 1.14 -0.00 0.00 -0.26 0.00 0.00 64.21 65.89 1dp0 n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dp0 n GLY 763 N 1.52 0.47 3.61 5.00 0.00 0.13 -4.80 105.19 111.11 1dp0 n GLY 763 Ca -0.19 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 1dp0 n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dp0 s PHE 764 N -1.99 2.62 -0.58 1.61 0.40 -1.24 -4.91 117.98 113.90 1dp0 s PHE 764 Ca 0.00 -0.24 -0.27 0.00 -0.60 0.00 0.00 56.93 55.82 1dp0 s PHE 764 Cb 0.00 -1.17 -0.00 0.00 0.51 0.00 0.00 43.02 42.35 1dp0 s PHE 764 CO 0.00 0.62 1.65 -1.17 0.70 0.00 0.00 175.22 177.03 1dp0 s LEU 765 N -3.53 3.34 0.03 -0.37 2.96 -1.26 -0.65 118.68 119.20 1dp0 s LEU 765 Ca 0.30 0.36 0.23 0.00 -0.22 0.00 0.00 54.13 54.80 1dp0 s LEU 765 Cb -0.06 -2.82 0.04 0.00 0.50 0.00 0.00 46.19 43.85 1dp0 s LEU 765 CO 0.18 -2.03 1.03 -1.54 -1.32 0.00 0.00 176.35 172.67 1dp0 n SER 766 N 11.11 0.64 -3.50 3.68 3.41 -0.03 -2.18 113.62 126.74 1dp0 n SER 766 Ca 0.16 -0.34 -0.16 0.00 -0.26 0.00 0.00 58.87 58.27 1dp0 n SER 766 Cb 0.50 0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 65.22 1dp0 n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1dp0 s GLN 767 N -3.15 1.11 -0.01 4.33 2.00 -1.15 -4.48 119.66 118.30 1dp0 s GLN 767 Ca 0.05 0.07 -0.03 0.00 -2.00 0.00 0.00 55.36 53.45 1dp0 s GLN 767 Cb 0.15 0.52 0.00 0.00 0.80 0.00 0.00 33.01 34.48 1dp0 s GLN 767 CO 0.81 -0.38 0.06 -1.64 -0.50 0.00 0.00 175.29 173.63 1dp0 s MET 768 N -1.82 0.18 0.03 1.67 -1.94 -1.26 -0.82 119.30 115.34 1dp0 s MET 768 Ca -0.08 -0.11 0.05 0.00 -1.71 0.00 0.00 55.69 53.84 1dp0 s MET 768 Cb -0.00 0.08 -0.02 0.00 2.01 0.00 0.00 34.83 36.89 1dp0 s MET 768 CO 0.04 -0.03 -0.14 -1.58 -0.01 0.00 0.00 175.02 173.30 1dp0 s TRP 769 N -0.45 1.23 -0.25 -0.03 0.51 -0.18 0.10 118.94 119.87 1dp0 s TRP 769 Ca -0.05 -0.34 0.02 0.00 -2.12 0.00 0.00 56.10 53.61 1dp0 s TRP 769 Cb -0.03 -0.73 0.06 0.00 -0.81 0.00 0.00 33.47 31.95 1dp0 s TRP 769 CO 0.00 0.03 -0.11 0.42 -0.51 0.00 0.00 176.95 176.78 1dp0 s ILE 770 N -0.80 2.05 0.00 2.03 1.01 -0.81 -1.96 121.20 122.71 1dp0 s ILE 770 Ca 0.02 -1.52 0.00 0.00 0.00 0.00 0.00 60.65 59.15 1dp0 s ILE 770 Cb -0.08 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.23 1dp0 s ILE 770 CO 0.01 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.56 1dp0 n GLY 771 N 4.49 2.33 1.45 6.18 0.00 -0.50 -0.77 105.19 118.37 1dp0 n GLY 771 Ca -0.14 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.54 1dp0 n GLY 771 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dp0 n ASP 772 N 3.44 4.26 -4.63 1.61 5.75 -1.26 -4.91 116.55 120.81 1dp0 n ASP 772 Ca 0.00 -2.28 -0.39 0.00 -0.01 0.00 0.00 54.79 52.11 1dp0 n ASP 772 Cb 0.00 -0.53 -0.08 0.00 -1.03 0.00 0.00 41.12 39.48 1dp0 n ASP 772 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1dp0 s LYS 773 N -1.59 4.09 0.40 0.11 2.20 0.05 -5.07 119.74 119.94 1dp0 s LYS 773 Ca 0.48 0.19 -0.25 0.00 -0.36 0.00 0.00 55.97 56.03 1dp0 s LYS 773 Cb 0.29 -3.61 -0.08 0.00 -1.51 0.00 0.00 37.83 32.91 1dp0 s LYS 773 CO 0.26 -0.22 1.20 0.15 -0.36 0.00 0.00 175.35 176.38 1dp0 s LYS 774 N 1.89 4.03 -0.01 4.03 1.02 -1.26 -1.93 119.74 127.49 1dp0 s LYS 774 Ca 0.19 1.92 0.15 0.00 0.02 0.00 0.00 55.97 58.25 1dp0 s LYS 774 Cb -0.15 -2.69 -0.22 0.00 -0.52 0.00 0.00 37.83 34.24 1dp0 s LYS 774 CO 0.09 -0.37 0.42 1.04 -0.92 0.00 0.00 175.35 175.62 1dp0 n GLN 775 N 0.08 0.93 -4.94 1.68 1.13 0.29 -4.78 117.38 111.77 1dp0 n GLN 775 Ca 0.04 -0.10 -0.33 0.00 -1.94 0.00 0.00 57.00 54.68 1dp0 n GLN 775 Cb 0.46 -1.32 -0.14 0.00 0.11 0.00 0.00 30.24 29.35 1dp0 n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1dp0 s LEU 776 N -3.67 2.64 -0.18 1.08 1.43 -1.26 -0.14 118.68 118.58 1dp0 s LEU 776 Ca -0.02 -0.24 0.15 0.00 -1.03 0.00 0.00 54.13 52.99 1dp0 s LEU 776 Cb 0.10 -1.53 -0.24 0.00 0.03 0.00 0.00 46.19 44.56 1dp0 s LEU 776 CO 0.63 0.34 0.14 0.18 0.23 0.00 0.00 176.35 177.87 1dp0 n LEU 777 N 2.37 0.54 -4.07 1.79 4.77 0.10 -4.72 117.00 117.79 1dp0 n LEU 777 Ca -0.17 0.06 -0.15 0.00 -0.03 0.00 0.00 56.01 55.72 1dp0 n LEU 777 Cb 0.52 0.25 -0.12 0.00 -2.33 0.00 0.00 43.42 41.74 1dp0 n LEU 777 CO 0.25 0.54 -0.42 0.42 -1.33 0.00 0.00 177.39 176.86 1dp0 s THR 778 N -2.51 0.65 1.07 -5.08 -4.23 -1.05 -4.95 115.64 99.54 1dp0 s THR 778 Ca -0.12 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.29 1dp0 s THR 778 Cb 0.07 -0.67 0.23 0.00 1.34 0.00 0.00 72.50 73.46 1dp0 s THR 778 CO 0.80 -0.25 1.07 -2.84 -0.54 0.00 0.00 174.62 172.86 1dp0 s PRO 779 N -1.34 -0.16 -0.44 3.99 0.02 -1.26 -3.65 135.00 132.15 1dp0 s PRO 779 Ca -0.06 1.06 -0.26 0.00 0.02 0.00 0.00 61.00 61.76 1dp0 s PRO 779 Cb -0.09 -1.63 0.02 0.00 0.02 0.00 0.00 34.50 32.83 1dp0 s PRO 779 CO 0.01 -3.28 0.96 -1.17 -0.33 0.00 0.00 177.00 173.19 1dp0 s LEU 780 N -6.95 3.95 0.11 -5.54 2.96 -0.93 -4.47 118.68 107.80 1dp0 s LEU 780 Ca 0.67 0.29 0.04 0.00 -0.22 0.00 0.00 54.13 54.92 1dp0 s LEU 780 Cb -0.24 -3.27 -0.04 0.00 0.50 0.00 0.00 46.19 43.15 1dp0 s LEU 780 CO 0.62 -1.03 -0.10 -0.13 -1.32 0.00 0.00 176.35 174.38 1dp0 s ARG 781 N 3.79 0.91 0.60 1.98 0.52 -0.16 -4.24 118.95 122.36 1dp0 s ARG 781 Ca 0.39 -1.24 -0.20 0.00 -0.52 0.00 0.00 55.73 54.16 1dp0 s ARG 781 Cb -0.10 -0.57 -0.03 0.00 0.52 0.00 0.00 34.95 34.77 1dp0 s ARG 781 CO 0.25 0.08 1.32 -0.25 0.02 0.00 0.00 175.30 176.73 1dp0 n ASP 782 N 0.35 2.36 -3.80 0.23 9.92 -1.26 -0.07 116.55 124.27 1dp0 n ASP 782 Ca -0.14 0.90 -0.17 0.00 -0.53 0.00 0.00 54.79 54.84 1dp0 n ASP 782 Cb 0.58 -1.57 -0.16 0.00 -0.64 0.00 0.00 41.12 39.34 1dp0 n ASP 782 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1dp0 s GLN 783 N -3.14 0.24 0.00 -1.24 0.74 0.82 -4.74 119.66 112.34 1dp0 s GLN 783 Ca 0.78 0.11 0.00 0.00 0.05 0.00 0.00 55.36 56.30 1dp0 s GLN 783 Cb -0.40 -0.47 0.00 0.00 1.10 0.00 0.00 33.01 33.24 1dp0 s GLN 783 CO 0.44 -0.16 0.63 1.19 -0.55 0.00 0.00 175.29 176.85 1dp0 n PHE 784 N 4.25 0.00 -4.46 1.67 3.01 -1.26 -1.51 117.46 119.17 1dp0 n PHE 784 Ca -0.25 -0.17 -0.23 0.00 1.01 0.00 0.00 57.45 57.82 1dp0 n PHE 784 Cb 0.50 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.85 1dp0 n PHE 784 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 1dp0 s THR 785 N -0.33 1.91 0.07 4.37 -4.23 -1.26 -2.96 115.64 113.21 1dp0 s THR 785 Ca 0.00 -2.19 0.03 0.00 -1.18 0.00 0.00 61.69 58.35 1dp0 s THR 785 Cb 0.00 -2.46 -0.03 0.00 1.34 0.00 0.00 72.50 71.35 1dp0 s THR 785 CO 0.00 -0.31 -0.08 0.00 -0.54 0.00 0.00 174.62 173.69 1dp0 s ARG 786 N -3.66 0.70 -0.09 3.99 1.70 -1.26 -4.76 118.95 115.57 1dp0 s ARG 786 Ca 0.30 -1.02 -0.29 0.00 -0.47 0.00 0.00 55.73 54.24 1dp0 s ARG 786 Cb 0.02 -0.34 -0.05 0.00 -0.57 0.00 0.00 34.95 34.00 1dp0 s ARG 786 CO 0.13 0.04 1.77 0.00 -1.08 0.00 0.00 175.30 176.16 1dp0 s ALA 787 N -2.26 3.44 0.22 7.88 0.00 -1.26 -4.86 121.76 124.92 1dp0 s ALA 787 Ca 0.00 0.89 -0.32 0.00 0.00 0.00 0.00 51.96 52.53 1dp0 s ALA 787 Cb -0.04 -3.82 -0.13 0.00 0.00 0.00 0.00 23.12 19.13 1dp0 s ALA 787 CO -0.01 -1.70 1.61 -0.35 0.00 0.00 0.00 175.76 175.30 1dp0 n PRO 788 N 7.50 2.46 -1.60 0.00 -0.04 -1.26 -1.24 135.00 140.82 1dp0 n PRO 788 Ca 0.19 0.88 -0.29 0.00 -0.04 0.00 0.00 63.50 64.25 1dp0 n PRO 788 Cb 0.43 -2.67 0.12 0.00 -0.04 0.00 0.00 33.50 31.35 1dp0 n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1dp0 s LEU 789 N 0.57 2.20 0.29 1.53 1.43 -1.26 -4.58 118.68 118.86 1dp0 s LEU 789 Ca 0.73 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1dp0 s LEU 789 Cb -0.58 -3.40 0.55 0.00 0.03 0.00 0.00 46.19 42.80 1dp0 s LEU 789 CO 0.40 -2.34 1.85 0.44 0.23 0.00 0.00 176.35 176.94 1dp0 h ASP 790 N -1.35 0.92 0.53 2.29 3.32 -1.87 0.39 116.42 120.65 1dp0 h ASP 790 Ca -0.49 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 1dp0 h ASP 790 Cb 1.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1dp0 h ASP 790 CO 0.62 0.51 -0.28 0.78 -1.72 0.00 0.00 179.24 179.16 1dp0 h ASN 791 N 1.00 0.00 0.74 6.45 2.35 -1.86 0.28 115.58 124.54 1dp0 h ASN 791 Ca 0.48 0.00 -0.15 0.00 -0.55 0.00 0.00 56.30 56.07 1dp0 h ASN 791 Cb 0.44 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.78 1dp0 h ASN 791 CO -0.24 0.28 -0.72 0.44 -1.65 0.00 0.00 177.43 175.54 1dp0 h ASP 792 N 0.00 0.00 0.12 5.81 3.32 -1.25 -3.34 116.42 121.07 1dp0 h ASP 792 Ca -0.00 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.70 1dp0 h ASP 792 Cb 0.62 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1dp0 h ASP 792 CO 0.04 0.72 -1.92 -0.38 -1.72 0.00 0.00 179.24 175.98 1dp0 n ILE 793 N -3.66 1.77 -3.79 0.35 5.41 -0.78 -0.53 119.36 118.13 1dp0 n ILE 793 Ca -0.01 -0.60 0.00 0.00 1.00 0.00 0.00 62.75 63.14 1dp0 n ILE 793 Cb 0.71 -1.77 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 1dp0 n ILE 793 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dp0 n GLY 794 N 1.93 2.68 0.63 7.39 0.00 0.91 -1.57 105.19 117.17 1dp0 n GLY 794 Ca -0.32 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.42 1dp0 n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1dp0 n VAL 795 N 0.00 0.16 -1.75 1.61 0.24 -1.26 -4.91 118.33 112.42 1dp0 n VAL 795 Ca 0.00 -0.38 -0.41 0.00 -2.04 0.00 0.00 64.34 61.52 1dp0 n VAL 795 Cb 0.00 0.58 0.01 0.00 -1.47 0.00 0.00 33.84 32.96 1dp0 n VAL 795 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1dp0 n SER 796 N 0.50 3.29 -3.85 -1.34 2.88 -0.61 -4.82 113.62 109.67 1dp0 n SER 796 Ca 0.17 1.16 -0.11 0.00 -1.33 0.00 0.00 58.87 58.75 1dp0 n SER 796 Cb 0.39 -1.58 -0.09 0.00 -0.75 0.00 0.00 64.21 62.18 1dp0 n SER 796 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1dp0 s GLU 797 N -2.27 0.56 0.31 -1.46 2.02 -0.32 -4.90 118.70 112.65 1dp0 s GLU 797 Ca 0.58 -0.42 0.08 0.00 0.02 0.00 0.00 54.97 55.23 1dp0 s GLU 797 Cb -0.48 0.23 0.90 0.00 0.10 0.00 0.00 34.13 34.88 1dp0 s GLU 797 CO 0.60 -0.14 1.66 0.00 0.02 0.00 0.00 175.26 177.39 1dp0 h ALA 798 N 4.03 1.62 -0.00 5.21 0.00 -1.99 0.22 119.26 128.34 1dp0 h ALA 798 Ca -0.31 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1dp0 h ALA 798 Cb 1.19 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1dp0 h ALA 798 CO 0.42 -0.51 -0.20 0.25 0.00 0.00 0.00 179.25 179.21 1dp0 n THR 799 N -5.13 0.00 -2.80 0.00 -2.24 -1.26 -4.47 114.28 98.37 1dp0 n THR 799 Ca 0.27 -0.02 -0.05 0.00 -2.27 0.00 0.00 64.05 61.97 1dp0 n THR 799 Cb 0.83 -0.12 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 1dp0 n THR 799 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1dp0 s ARG 800 N -2.85 1.07 0.36 -0.78 1.81 0.63 -5.12 118.95 114.07 1dp0 s ARG 800 Ca 0.17 -1.13 -0.28 0.00 -1.72 0.00 0.00 55.73 52.77 1dp0 s ARG 800 Cb 0.19 -0.14 -0.10 0.00 -0.45 0.00 0.00 34.95 34.45 1dp0 s ARG 800 CO 0.57 -1.33 1.34 0.42 -0.68 0.00 0.00 175.30 175.62 1dp0 s ILE 801 N 0.82 2.57 -0.61 1.52 -1.09 -0.44 -1.18 121.20 122.80 1dp0 s ILE 801 Ca 0.30 0.56 -0.08 0.00 -2.23 0.00 0.00 60.65 59.20 1dp0 s ILE 801 Cb 0.00 -3.35 0.16 0.00 -1.58 0.00 0.00 42.46 37.69 1dp0 s ILE 801 CO -0.06 0.12 0.47 -0.62 -1.23 0.00 0.00 174.94 173.62 1dp0 s ASP 802 N -0.50 5.78 0.25 3.58 2.15 -1.26 -4.85 116.67 121.82 1dp0 s ASP 802 Ca 0.52 -2.42 0.14 0.00 0.43 0.00 0.00 52.55 51.22 1dp0 s ASP 802 Cb -0.40 -2.00 0.76 0.00 -0.30 0.00 0.00 42.92 40.98 1dp0 s ASP 802 CO 0.54 -0.55 1.38 -0.81 -0.17 0.00 0.00 175.17 175.55 1dp0 n PRO 803 N 4.19 0.09 0.17 4.34 -0.04 -1.26 -1.06 135.00 141.44 1dp0 n PRO 803 Ca 0.03 0.57 0.12 0.00 -0.04 0.00 0.00 63.50 64.17 1dp0 n PRO 803 Cb 0.41 -1.92 0.11 0.00 -0.04 0.00 0.00 33.50 32.06 1dp0 n PRO 803 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1dp0 h ASN 804 N 0.00 0.00 -4.06 3.54 -1.24 -1.96 -3.38 115.58 108.48 1dp0 h ASN 804 Ca 0.00 -0.00 -0.54 0.00 0.71 0.00 0.00 56.30 56.47 1dp0 h ASN 804 Cb 0.23 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.41 1dp0 h ASN 804 CO 0.00 0.00 0.55 0.00 -1.29 0.00 0.00 177.43 176.69 1dp0 s ALA 805 N -3.27 2.73 0.24 1.57 0.00 -0.22 -4.74 121.76 118.07 1dp0 s ALA 805 Ca 0.04 1.18 -0.05 0.00 0.00 0.00 0.00 51.96 53.14 1dp0 s ALA 805 Cb 0.07 -3.51 0.35 0.00 0.00 0.00 0.00 23.12 20.03 1dp0 s ALA 805 CO 0.72 -1.24 1.84 -1.49 0.00 0.00 0.00 175.76 175.59 1dp0 h TRP 806 N 1.32 0.97 -0.84 0.00 4.06 -1.77 -1.07 115.95 118.62 1dp0 h TRP 806 Ca -0.51 0.03 0.04 0.00 2.06 0.00 0.00 58.89 60.52 1dp0 h TRP 806 Cb 1.30 -0.31 -0.05 0.00 -1.00 0.00 0.00 29.16 29.10 1dp0 h TRP 806 CO 0.47 0.47 0.55 -0.24 -3.56 0.00 0.00 178.44 176.13 1dp0 h VAL 807 N 0.94 1.12 -0.29 1.49 3.04 -1.15 -1.13 116.25 120.26 1dp0 h VAL 807 Ca 0.38 -0.35 -0.15 0.00 -1.01 0.00 0.00 66.70 65.57 1dp0 h VAL 807 Cb 0.21 0.01 -0.01 0.00 -2.01 0.00 0.00 31.29 29.50 1dp0 h VAL 807 CO -0.19 0.19 -0.43 -0.33 -1.01 0.00 0.00 177.57 175.79 1dp0 h GLU 808 N 1.02 0.72 -0.14 4.17 4.39 -1.50 -0.93 114.58 122.31 1dp0 h GLU 808 Ca 0.34 -0.39 -0.01 0.00 0.34 0.00 0.00 59.36 59.64 1dp0 h GLU 808 Cb 0.08 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1dp0 h GLU 808 CO -0.11 1.01 0.04 0.00 -1.16 0.00 0.00 179.01 178.79 1dp0 h ARG 809 N 0.58 0.22 -0.44 2.33 3.08 -0.52 0.23 114.38 119.87 1dp0 h ARG 809 Ca 0.04 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1dp0 h ARG 809 Cb 0.98 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.98 1dp0 h ARG 809 CO 0.09 0.36 0.26 -1.49 -1.07 0.00 0.00 179.97 178.13 1dp0 h TRP 810 N 0.04 0.58 -0.05 3.04 6.55 -1.16 -1.58 115.95 123.36 1dp0 h TRP 810 Ca 0.04 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.89 1dp0 h TRP 810 Cb 0.24 -0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 28.34 1dp0 h TRP 810 CO 0.00 0.41 0.03 0.87 -1.05 0.00 0.00 178.44 178.70 1dp0 h LYS 811 N 0.58 0.06 -0.04 0.49 1.57 -0.98 -0.52 116.57 117.73 1dp0 h LYS 811 Ca 0.16 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1dp0 h LYS 811 Cb -0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1dp0 h LYS 811 CO -0.03 0.04 -0.09 0.00 -0.57 0.00 0.00 179.45 178.80 1dp0 h ALA 812 N 1.03 1.78 0.00 3.86 0.00 -0.31 -1.26 119.26 124.36 1dp0 h ALA 812 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1dp0 h ALA 812 Cb -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1dp0 h ALA 812 CO -0.01 0.17 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1dp0 n ALA 813 N -2.51 2.32 -0.34 0.00 0.00 -0.61 -4.90 120.51 114.46 1dp0 n ALA 813 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1dp0 n ALA 813 Cb 0.18 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1dp0 n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dp0 n GLY 814 N 1.47 0.81 0.36 0.00 0.00 -0.48 -4.85 105.19 102.50 1dp0 n GLY 814 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1dp0 n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1dp0 h HIS 815 N 0.00 1.12 0.00 1.61 3.86 -1.31 0.22 115.15 120.65 1dp0 h HIS 815 Ca 0.00 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.20 1dp0 h HIS 815 Cb 0.00 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.11 1dp0 h HIS 815 CO 0.00 0.42 -0.40 1.88 0.86 0.00 0.00 177.93 180.69 1dp0 h TYR 816 N 0.96 0.00 -0.01 2.45 -1.99 -1.86 -3.32 116.97 113.19 1dp0 h TYR 816 Ca 0.50 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.23 1dp0 h TYR 816 Cb 0.55 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.28 1dp0 h TYR 816 CO -0.00 0.21 -0.53 1.04 -0.00 0.00 0.00 178.16 178.87 1dp0 n GLN 817 N -3.07 1.11 -1.84 4.88 6.02 -0.70 -5.00 117.38 118.78 1dp0 n GLN 817 Ca 0.02 -0.87 -0.41 0.00 -0.01 0.00 0.00 57.00 55.72 1dp0 n GLN 817 Cb 0.62 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.40 1dp0 n GLN 817 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1dp0 s ALA 818 N -2.51 3.64 -0.15 -1.58 0.00 0.68 -5.00 121.76 116.85 1dp0 s ALA 818 Ca 0.17 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.59 1dp0 s ALA 818 Cb 0.18 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1dp0 s ALA 818 CO 0.60 -0.96 0.07 -1.83 0.00 0.00 0.00 175.76 173.64 1dp0 s GLU 819 N -1.22 3.69 0.17 0.00 -1.05 -1.23 -4.90 118.70 114.15 1dp0 s GLU 819 Ca 0.57 -0.30 -0.30 0.00 -0.15 0.00 0.00 54.97 54.79 1dp0 s GLU 819 Cb -0.46 -3.14 -0.07 0.00 -0.44 0.00 0.00 34.13 30.02 1dp0 s GLU 819 CO 0.54 0.47 1.12 0.00 0.95 0.00 0.00 175.26 178.33 1dp0 s ALA 820 N -0.18 3.38 -0.15 -0.84 0.00 -1.26 -3.26 121.76 119.44 1dp0 s ALA 820 Ca 0.08 0.83 -0.02 0.00 0.00 0.00 0.00 51.96 52.84 1dp0 s ALA 820 Cb -0.12 -3.37 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1dp0 s ALA 820 CO 0.01 -0.24 -0.07 0.00 0.00 0.00 0.00 175.76 175.45 1dp0 s ALA 821 N -0.12 2.83 0.02 0.00 0.00 0.14 -4.93 121.76 119.70 1dp0 s ALA 821 Ca 0.50 -0.89 -0.28 0.00 0.00 0.00 0.00 51.96 51.29 1dp0 s ALA 821 Cb -0.30 -1.44 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 1dp0 s ALA 821 CO 0.35 0.15 0.88 -1.17 0.00 0.00 0.00 175.76 175.97 1dp0 s LEU 822 N 0.50 4.40 -0.12 0.00 2.96 -1.26 -0.81 118.68 124.35 1dp0 s LEU 822 Ca -0.06 1.56 0.14 0.00 -0.22 0.00 0.00 54.13 55.56 1dp0 s LEU 822 Cb -0.15 -3.42 -0.20 0.00 0.50 0.00 0.00 46.19 42.92 1dp0 s LEU 822 CO 0.03 -0.14 0.12 0.18 -1.32 0.00 0.00 176.35 175.22 1dp0 n LEU 823 N 3.42 0.00 -3.63 -0.68 4.77 0.67 -4.94 117.00 116.61 1dp0 n LEU 823 Ca 0.02 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.91 1dp0 n LEU 823 Cb 0.50 0.28 -0.07 0.00 -2.33 0.00 0.00 43.42 41.81 1dp0 n LEU 823 CO 0.50 0.28 0.77 -1.58 -1.33 0.00 0.00 177.39 176.03 1dp0 s GLN 824 N -2.52 0.50 -0.27 3.23 0.74 -0.98 -4.93 119.66 115.43 1dp0 s GLN 824 Ca -0.07 0.49 -0.00 0.00 0.05 0.00 0.00 55.36 55.83 1dp0 s GLN 824 Cb 0.06 0.24 0.15 0.00 1.10 0.00 0.00 33.01 34.55 1dp0 s GLN 824 CO 0.62 -0.08 0.38 0.00 -0.55 0.00 0.00 175.29 175.66 1dp0 s THR 826 N 2.53 0.83 -0.03 0.00 -4.23 0.19 -4.96 115.64 109.97 1dp0 s THR 826 Ca 0.11 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.66 1dp0 s THR 826 Cb -0.14 -2.03 -0.00 0.00 1.34 0.00 0.00 72.50 71.67 1dp0 s THR 826 CO -0.24 -0.57 -0.14 0.00 -0.54 0.00 0.00 174.62 173.13 1dp0 s ALA 827 N -3.55 1.26 0.06 3.99 0.00 -1.26 -0.95 121.76 121.30 1dp0 s ALA 827 Ca 0.21 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.64 1dp0 s ALA 827 Cb 0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.73 1dp0 s ALA 827 CO 0.03 0.24 -0.09 -0.51 0.00 0.00 0.00 175.76 175.42 1dp0 s ASP 828 N 0.01 1.12 -0.08 0.00 1.01 0.11 -4.98 116.67 113.87 1dp0 s ASP 828 Ca -0.02 -0.66 -0.01 0.00 0.71 0.00 0.00 52.55 52.57 1dp0 s ASP 828 Cb -0.09 0.03 -0.03 0.00 1.01 0.00 0.00 42.92 43.83 1dp0 s ASP 828 CO 0.01 -0.23 -0.02 -0.89 0.21 0.00 0.00 175.17 174.25 1dp0 s THR 829 N -1.83 4.11 0.43 -1.27 2.01 -1.26 -0.30 115.64 117.53 1dp0 s THR 829 Ca -0.03 -0.32 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1dp0 s THR 829 Cb -0.07 -2.71 0.02 0.00 0.01 0.00 0.00 72.50 69.75 1dp0 s THR 829 CO -0.00 0.60 0.19 0.18 -0.69 0.00 0.00 174.62 174.91 1dp0 n LEU 830 N 2.17 0.00 0.25 4.42 4.77 0.84 -4.96 117.00 124.49 1dp0 n LEU 830 Ca -0.18 -2.39 0.09 0.00 -0.03 0.00 0.00 56.01 53.49 1dp0 n LEU 830 Cb 0.53 0.10 0.65 0.00 -2.33 0.00 0.00 43.42 42.37 1dp0 n LEU 830 CO 0.28 -0.46 0.99 0.00 -1.33 0.00 0.00 177.39 176.87 1dp0 h ALA 831 N 0.90 1.63 0.00 -1.18 0.00 -2.03 -3.21 119.26 115.38 1dp0 h ALA 831 Ca -0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1dp0 h ALA 831 Cb 1.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1dp0 h ALA 831 CO 0.49 0.13 -0.15 -0.40 0.00 0.00 0.00 179.25 179.32 1dp0 n ASP 832 N -4.13 0.61 -3.43 0.00 5.75 -1.26 -5.02 116.55 109.07 1dp0 n ASP 832 Ca -0.03 -1.71 -0.07 0.00 -0.01 0.00 0.00 54.79 52.97 1dp0 n ASP 832 Cb 0.19 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1dp0 n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dp0 s ALA 833 N -0.51 -1.17 -0.05 2.12 0.00 -1.21 -3.02 121.76 117.92 1dp0 s ALA 833 Ca 0.04 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 51.64 1dp0 s ALA 833 Cb 0.03 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1dp0 s ALA 833 CO 0.00 -1.02 -0.18 0.08 0.00 0.00 0.00 175.76 174.64 1dp0 s VAL 834 N -2.99 2.76 -0.22 0.00 1.01 0.12 -0.12 120.40 120.97 1dp0 s VAL 834 Ca 0.14 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1dp0 s VAL 834 Cb -0.04 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.31 1dp0 s VAL 834 CO 0.08 0.58 -0.15 -0.22 0.00 0.00 0.00 175.10 175.39 1dp0 s LEU 835 N -0.60 2.76 -0.18 3.92 2.96 0.59 -1.04 118.68 127.09 1dp0 s LEU 835 Ca 0.09 -0.96 -0.07 0.00 -0.22 0.00 0.00 54.13 52.98 1dp0 s LEU 835 Cb -0.11 -1.53 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 1dp0 s LEU 835 CO 0.01 -0.09 0.04 -0.63 -1.32 0.00 0.00 176.35 174.36 1dp0 s ILE 836 N 1.22 4.53 -0.12 6.68 -1.09 0.71 -0.71 121.20 132.43 1dp0 s ILE 836 Ca -0.01 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 1dp0 s ILE 836 Cb -0.16 -3.04 -0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1dp0 s ILE 836 CO -0.09 0.46 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.98 1dp0 s THR 837 N 0.48 2.29 0.22 2.92 2.01 -0.13 -0.27 115.64 123.17 1dp0 s THR 837 Ca 0.02 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.14 1dp0 s THR 837 Cb -0.13 -1.91 -0.05 0.00 0.01 0.00 0.00 72.50 70.41 1dp0 s THR 837 CO 0.01 0.55 -0.03 0.42 -0.69 0.00 0.00 174.62 174.88 1dp0 s THR 838 N 0.52 1.16 -0.20 -0.82 -4.23 -0.24 -0.63 115.64 111.20 1dp0 s THR 838 Ca -0.13 -2.06 -0.10 0.00 -1.18 0.00 0.00 61.69 58.22 1dp0 s THR 838 Cb -0.17 -2.28 0.07 0.00 1.34 0.00 0.00 72.50 71.46 1dp0 s THR 838 CO 0.05 -0.39 0.47 0.00 -0.54 0.00 0.00 174.62 174.21 1dp0 s ALA 839 N -3.33 -1.24 0.09 3.99 0.00 -0.19 -1.42 121.76 119.66 1dp0 s ALA 839 Ca 0.27 1.72 0.05 0.00 0.00 0.00 0.00 51.96 54.00 1dp0 s ALA 839 Cb 0.05 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1dp0 s ALA 839 CO 0.08 -0.34 -0.13 -1.01 0.00 0.00 0.00 175.76 174.36 1dp0 s HIS 840 N 1.57 1.24 -0.08 0.00 3.76 0.29 -0.24 115.29 121.83 1dp0 s HIS 840 Ca -0.09 -0.52 0.04 0.00 -0.15 0.00 0.00 55.06 54.34 1dp0 s HIS 840 Cb -0.08 -0.68 -0.01 0.00 1.11 0.00 0.00 32.58 32.92 1dp0 s HIS 840 CO -0.14 0.07 -0.21 0.00 -0.85 0.00 0.00 174.74 173.61 1dp0 s ALA 841 N -1.76 2.34 -0.23 -1.40 0.00 0.01 -0.73 121.76 119.99 1dp0 s ALA 841 Ca 0.03 -0.99 -0.08 0.00 0.00 0.00 0.00 51.96 50.92 1dp0 s ALA 841 Cb -0.07 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 1dp0 s ALA 841 CO 0.02 0.37 0.08 -1.58 0.00 0.00 0.00 175.76 174.66 1dp0 s TRP 842 N -0.03 3.15 0.16 0.00 0.51 0.10 0.23 118.94 123.06 1dp0 s TRP 842 Ca -0.06 -0.19 0.06 0.00 -2.12 0.00 0.00 56.10 53.78 1dp0 s TRP 842 Cb -0.15 -2.20 -0.04 0.00 -0.81 0.00 0.00 33.47 30.27 1dp0 s TRP 842 CO 0.05 -0.17 -0.12 -0.65 -0.51 0.00 0.00 176.95 175.55 1dp0 s GLN 843 N 1.23 1.15 -0.12 4.98 -0.21 -1.20 0.84 119.66 126.32 1dp0 s GLN 843 Ca 0.05 -1.49 -0.04 0.00 0.02 0.00 0.00 55.36 53.90 1dp0 s GLN 843 Cb -0.14 -0.80 0.06 0.00 1.00 0.00 0.00 33.01 33.12 1dp0 s GLN 843 CO 0.04 0.12 0.24 -1.58 -2.12 0.00 0.00 175.29 171.98 1dp0 s HIS 844 N -3.15 -0.36 -1.53 0.91 2.46 0.33 -3.49 115.29 110.46 1dp0 s HIS 844 Ca 0.18 0.88 -0.08 0.00 0.47 0.00 0.00 55.06 56.52 1dp0 s HIS 844 Cb 0.01 -0.09 0.07 0.00 -0.13 0.00 0.00 32.58 32.44 1dp0 s HIS 844 CO 0.03 -0.33 0.59 1.04 -2.47 0.00 0.00 174.74 173.59 1dp0 n GLN 845 N 5.31 -3.35 0.00 2.88 6.02 -1.26 -0.70 117.38 126.29 1dp0 n GLN 845 Ca -0.06 0.40 0.00 0.00 -0.01 0.00 0.00 57.00 57.33 1dp0 n GLN 845 Cb 0.50 -4.79 0.00 0.00 1.02 0.00 0.00 30.24 26.97 1dp0 n GLN 845 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1dp0 n GLY 846 N -1.76 2.01 3.71 1.08 0.00 -1.26 -5.02 105.19 103.95 1dp0 n GLY 846 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1dp0 n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1dp0 s LYS 847 N -0.34 3.56 -0.36 1.61 2.47 0.13 -5.04 119.74 121.76 1dp0 s LYS 847 Ca 0.00 -0.30 -0.24 0.00 -1.56 0.00 0.00 55.97 53.87 1dp0 s LYS 847 Cb 0.00 -3.09 0.01 0.00 -1.46 0.00 0.00 37.83 33.29 1dp0 s LYS 847 CO 0.00 0.53 0.80 0.99 0.16 0.00 0.00 175.35 177.83 1dp0 s THR 848 N -0.35 4.71 -0.13 3.43 2.01 -1.26 -0.51 115.64 123.54 1dp0 s THR 848 Ca 0.09 0.93 -0.19 0.00 0.31 0.00 0.00 61.69 62.83 1dp0 s THR 848 Cb -0.12 -4.23 -0.26 0.00 0.01 0.00 0.00 72.50 67.91 1dp0 s THR 848 CO 0.02 -0.44 0.53 -0.07 -0.69 0.00 0.00 174.62 173.96 1dp0 h LEU 849 N 9.78 0.26 -7.78 4.42 3.38 0.08 -3.42 115.31 122.03 1dp0 h LEU 849 Ca -0.24 -0.81 -0.16 0.00 0.09 0.00 0.00 57.88 56.75 1dp0 h LEU 849 Cb 1.09 -0.09 -0.22 0.00 0.09 0.00 0.00 40.66 41.54 1dp0 h LEU 849 CO 0.92 1.51 -0.56 -0.36 0.09 0.00 0.00 178.44 180.04 1dp0 s PHE 850 N -2.42 0.07 -0.11 1.13 0.40 -1.11 -1.53 117.98 114.41 1dp0 s PHE 850 Ca -0.21 -0.15 0.03 0.00 -0.60 0.00 0.00 56.93 55.99 1dp0 s PHE 850 Cb 0.04 -0.07 0.01 0.00 0.51 0.00 0.00 43.02 43.51 1dp0 s PHE 850 CO 0.73 -0.22 -0.19 0.42 0.70 0.00 0.00 175.22 176.65 1dp0 s ILE 851 N -1.14 1.77 -0.21 0.64 1.01 -0.33 0.00 121.20 122.95 1dp0 s ILE 851 Ca -0.12 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 1dp0 s ILE 851 Cb -0.07 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.84 1dp0 s ILE 851 CO 0.01 0.50 -0.12 -0.55 0.00 0.00 0.00 174.94 174.77 1dp0 s SER 852 N 0.72 3.80 -0.16 3.58 0.15 0.09 -0.53 113.70 121.36 1dp0 s SER 852 Ca -0.11 -0.71 -0.02 0.00 0.70 0.00 0.00 55.95 55.81 1dp0 s SER 852 Cb -0.16 -1.59 -0.01 0.00 -1.71 0.00 0.00 66.02 62.55 1dp0 s SER 852 CO 0.02 -0.05 -0.09 -0.13 1.20 0.00 0.00 173.24 174.18 1dp0 s ARG 853 N 1.33 3.41 0.11 5.44 0.52 -0.23 -0.55 118.95 128.97 1dp0 s ARG 853 Ca 0.03 -0.65 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 1dp0 s ARG 853 Cb -0.15 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 1dp0 s ARG 853 CO -0.08 0.09 -0.04 0.15 0.02 0.00 0.00 175.30 175.44 1dp0 s LYS 854 N 0.71 0.87 -0.00 3.54 1.02 -0.51 -0.85 119.74 124.51 1dp0 s LYS 854 Ca -0.05 -1.37 0.02 0.00 0.02 0.00 0.00 55.97 54.59 1dp0 s LYS 854 Cb -0.15 -0.13 -0.00 0.00 -0.52 0.00 0.00 37.83 37.03 1dp0 s LYS 854 CO 0.02 -0.07 -0.05 0.95 -0.92 0.00 0.00 175.35 175.28 1dp0 s THR 855 N -3.70 0.39 -0.14 2.17 -4.23 -0.89 -1.08 115.64 108.16 1dp0 s THR 855 Ca 0.15 -0.22 0.01 0.00 -1.18 0.00 0.00 61.69 60.45 1dp0 s THR 855 Cb 0.06 -0.33 0.02 0.00 1.34 0.00 0.00 72.50 73.59 1dp0 s THR 855 CO -0.03 0.10 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.67 1dp0 s TYR 856 N -0.13 2.29 -0.23 3.99 1.51 0.63 -0.11 117.35 125.31 1dp0 s TYR 856 Ca 0.02 -1.20 0.02 0.00 -1.01 0.00 0.00 57.07 54.90 1dp0 s TYR 856 Cb -0.02 -1.63 0.04 0.00 -0.11 0.00 0.00 41.96 40.25 1dp0 s TYR 856 CO -0.00 -0.61 -0.14 0.50 -1.11 0.00 0.00 175.55 174.19 1dp0 s ARG 857 N 1.13 2.50 -0.21 -0.62 3.52 -0.41 -0.21 118.95 124.65 1dp0 s ARG 857 Ca -0.02 -1.13 -0.06 0.00 -0.13 0.00 0.00 55.73 54.38 1dp0 s ARG 857 Cb -0.14 -2.75 -0.03 0.00 -1.56 0.00 0.00 34.95 30.47 1dp0 s ARG 857 CO -0.06 -0.43 0.04 0.42 -0.81 0.00 0.00 175.30 174.46 1dp0 s ILE 858 N 1.19 4.33 0.53 4.11 1.01 -0.20 -1.11 121.20 131.05 1dp0 s ILE 858 Ca -0.03 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.45 1dp0 s ILE 858 Cb -0.17 -2.97 0.02 0.00 0.01 0.00 0.00 42.46 39.34 1dp0 s ILE 858 CO -0.08 0.41 0.14 -0.90 0.00 0.00 0.00 174.94 174.51 1dp0 n ASP 859 N 4.22 3.20 0.22 3.58 5.68 -0.95 -0.70 116.55 131.79 1dp0 n ASP 859 Ca -0.17 -3.12 0.17 0.00 -0.50 0.00 0.00 54.79 51.17 1dp0 n ASP 859 Cb 0.52 0.22 0.77 0.00 -1.14 0.00 0.00 41.12 41.49 1dp0 n ASP 859 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1dp0 h GLY 860 N 1.03 0.00 1.78 6.12 0.00 -1.64 0.71 103.07 111.07 1dp0 h GLY 860 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1dp0 h GLY 860 CO 0.65 0.00 -0.08 -1.14 0.00 0.00 0.00 176.54 175.98 1dp0 n SER 861 N -3.27 0.09 0.00 0.19 3.41 -1.26 -4.50 113.62 108.27 1dp0 n SER 861 Ca 0.02 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 1dp0 n SER 861 Cb 0.51 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 1dp0 n SER 861 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1dp0 n GLY 862 N 1.47 0.79 3.81 5.00 0.00 0.25 -5.01 105.19 111.50 1dp0 n GLY 862 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1dp0 n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dp0 s GLN 863 N -0.39 4.28 -0.27 1.61 -0.21 -1.25 -4.67 119.66 118.78 1dp0 s GLN 863 Ca 0.00 0.84 -0.03 0.00 0.02 0.00 0.00 55.36 56.19 1dp0 s GLN 863 Cb 0.00 -3.17 0.02 0.00 1.00 0.00 0.00 33.01 30.86 1dp0 s GLN 863 CO 0.00 0.58 -0.01 1.41 -2.12 0.00 0.00 175.29 175.15 1dp0 s MET 864 N -1.31 2.91 -0.22 2.91 -2.45 0.24 -2.25 119.30 119.14 1dp0 s MET 864 Ca 0.33 -0.95 -0.17 0.00 -1.25 0.00 0.00 55.69 53.65 1dp0 s MET 864 Cb -0.20 -3.13 -0.03 0.00 1.25 0.00 0.00 34.83 32.72 1dp0 s MET 864 CO 0.21 -0.43 0.46 0.00 1.05 0.00 0.00 175.02 176.32 1dp0 s ALA 865 N 1.38 3.56 -0.18 4.11 0.00 -0.26 0.30 121.76 130.67 1dp0 s ALA 865 Ca 0.01 -0.52 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 1dp0 s ALA 865 Cb -0.17 -2.75 -0.02 0.00 0.00 0.00 0.00 23.12 20.18 1dp0 s ALA 865 CO -0.02 -0.45 -0.06 0.42 0.00 0.00 0.00 175.76 175.65 1dp0 s ILE 866 N 1.66 3.55 -0.12 0.00 1.01 0.44 -1.29 121.20 126.43 1dp0 s ILE 866 Ca 0.21 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 1dp0 s ILE 866 Cb -0.15 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 1dp0 s ILE 866 CO 0.09 0.47 -0.10 -0.89 0.00 0.00 0.00 174.94 174.51 1dp0 s THR 867 N 0.79 3.37 -0.07 2.92 2.01 0.84 -1.31 115.64 124.20 1dp0 s THR 867 Ca -0.02 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.45 1dp0 s THR 867 Cb -0.15 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.95 1dp0 s THR 867 CO 0.02 0.53 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.64 1dp0 s VAL 868 N 0.13 1.29 -0.19 3.82 1.01 0.81 -2.09 120.40 125.18 1dp0 s VAL 868 Ca -0.05 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1dp0 s VAL 868 Cb -0.14 -1.15 0.05 0.00 0.00 0.00 0.00 36.38 35.13 1dp0 s VAL 868 CO 0.04 0.39 -0.04 -1.81 0.00 0.00 0.00 175.10 173.68 1dp0 s ASP 869 N 0.52 3.14 -0.07 3.32 1.01 -0.03 -1.10 116.67 123.46 1dp0 s ASP 869 Ca -0.13 -0.84 0.00 0.00 0.71 0.00 0.00 52.55 52.29 1dp0 s ASP 869 Cb -0.15 -0.93 -0.03 0.00 1.01 0.00 0.00 42.92 42.81 1dp0 s ASP 869 CO 0.04 -0.22 -0.05 -0.69 0.21 0.00 0.00 175.17 174.46 1dp0 s VAL 870 N 1.61 3.89 -0.08 -1.27 1.01 -0.24 -1.07 120.40 124.24 1dp0 s VAL 870 Ca -0.01 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1dp0 s VAL 870 Cb -0.17 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1dp0 s VAL 870 CO -0.07 0.60 -0.15 -1.61 0.00 0.00 0.00 175.10 173.86 1dp0 s GLU 871 N -0.85 2.87 -0.15 2.72 2.02 0.31 -1.13 118.70 124.48 1dp0 s GLU 871 Ca 0.13 -0.72 0.01 0.00 0.02 0.00 0.00 54.97 54.41 1dp0 s GLU 871 Cb -0.11 -2.45 0.02 0.00 0.10 0.00 0.00 34.13 31.69 1dp0 s GLU 871 CO 0.02 0.42 -0.19 0.08 0.02 0.00 0.00 175.26 175.61 1dp0 s VAL 872 N -0.21 1.88 0.24 2.63 1.01 0.71 -1.19 120.40 125.47 1dp0 s VAL 872 Ca 0.00 -0.85 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 1dp0 s VAL 872 Cb -0.13 -1.70 -0.13 0.00 0.00 0.00 0.00 36.38 34.41 1dp0 s VAL 872 CO 0.03 0.51 1.44 0.00 0.00 0.00 0.00 175.10 177.08 1dp0 n ALA 873 N 4.45 1.25 0.28 5.51 0.00 -0.58 -4.61 120.51 126.81 1dp0 n ALA 873 Ca -0.20 0.41 0.12 0.00 0.00 0.00 0.00 53.44 53.77 1dp0 n ALA 873 Cb 0.51 -2.30 0.78 0.00 0.00 0.00 0.00 19.45 18.44 1dp0 n ALA 873 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1dp0 h SER 874 N 4.40 0.00 -0.59 0.00 4.64 -1.94 -2.13 113.55 117.93 1dp0 h SER 874 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1dp0 h SER 874 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1dp0 h SER 874 CO 0.77 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.85 1dp0 n ASP 875 N -4.14 3.29 -4.92 4.97 5.75 -1.26 -4.88 116.55 115.37 1dp0 n ASP 875 Ca -0.03 -1.99 -0.29 0.00 -0.01 0.00 0.00 54.79 52.47 1dp0 n ASP 875 Cb 0.10 -0.39 -0.04 0.00 -1.03 0.00 0.00 41.12 39.76 1dp0 n ASP 875 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1dp0 s THR 876 N -1.22 5.30 0.31 2.12 -1.32 -0.80 -5.04 115.64 114.98 1dp0 s THR 876 Ca 0.41 -0.36 -0.29 0.00 -1.21 0.00 0.00 61.69 60.25 1dp0 s THR 876 Cb 0.22 -3.67 -0.13 0.00 -1.51 0.00 0.00 72.50 67.41 1dp0 s THR 876 CO 0.29 0.01 1.24 -0.81 -2.21 0.00 0.00 174.62 173.14 1dp0 n PRO 877 N -0.10 1.91 -1.73 7.08 -0.04 -1.26 -4.84 135.00 136.02 1dp0 n PRO 877 Ca -0.05 0.67 -0.42 0.00 -0.04 0.00 0.00 63.50 63.66 1dp0 n PRO 877 Cb 0.52 -2.21 -0.02 0.00 -0.04 0.00 0.00 33.50 31.75 1dp0 n PRO 877 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1dp0 n HIS 878 N 0.59 2.68 -2.16 0.54 8.25 -1.26 -4.92 115.22 118.93 1dp0 n HIS 878 Ca 0.07 0.31 -0.32 0.00 -0.26 0.00 0.00 57.72 57.52 1dp0 n HIS 878 Cb 0.34 -2.56 -0.01 0.00 1.12 0.00 0.00 29.99 28.88 1dp0 n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1dp0 s PRO 879 N -0.54 3.62 0.43 -0.41 0.04 -1.26 -4.88 135.00 132.01 1dp0 s PRO 879 Ca 0.65 1.02 0.15 0.00 0.04 0.00 0.00 61.00 62.86 1dp0 s PRO 879 Cb -0.53 -2.08 0.96 0.00 0.04 0.00 0.00 34.50 32.88 1dp0 s PRO 879 CO 0.49 -0.55 1.96 0.00 0.04 0.00 0.00 177.00 178.94 1dp0 h ALA 880 N 0.51 1.59 -2.67 8.56 0.00 -1.89 -3.41 119.26 121.95 1dp0 h ALA 880 Ca -0.46 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.31 1dp0 h ALA 880 Cb 1.20 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.84 1dp0 h ALA 880 CO 0.60 0.28 0.34 -0.98 0.00 0.00 0.00 179.25 179.49 1dp0 s ARG 881 N -4.50 1.22 -0.29 0.00 1.70 -1.21 -0.23 118.95 115.65 1dp0 s ARG 881 Ca -0.04 -0.54 -0.01 0.00 -0.47 0.00 0.00 55.73 54.67 1dp0 s ARG 881 Cb 0.15 0.50 0.09 0.00 -0.57 0.00 0.00 34.95 35.12 1dp0 s ARG 881 CO 0.70 -0.54 0.09 0.42 -1.08 0.00 0.00 175.30 174.88 1dp0 s ILE 882 N -3.51 0.77 0.00 4.99 1.01 -0.01 -4.15 121.20 120.30 1dp0 s ILE 882 Ca 0.06 -1.23 0.00 0.00 0.00 0.00 0.00 60.65 59.48 1dp0 s ILE 882 Cb -0.02 -1.53 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1dp0 s ILE 882 CO -0.06 -0.60 0.00 0.61 0.00 0.00 0.00 174.94 174.89 1dp0 n GLY 883 N 4.90 2.74 3.35 6.18 0.00 -0.57 -0.73 105.19 121.07 1dp0 n GLY 883 Ca -0.04 -0.72 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 1dp0 n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dp0 s LEU 884 N 0.00 2.53 0.10 0.99 1.43 0.69 -0.13 118.68 124.30 1dp0 s LEU 884 Ca 0.00 -1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 51.95 1dp0 s LEU 884 Cb 0.00 -0.62 0.00 0.00 0.03 0.00 0.00 46.19 45.60 1dp0 s LEU 884 CO 0.00 -0.22 0.24 0.54 0.23 0.00 0.00 176.35 177.13 1dp0 s ASN 885 N -3.32 0.05 0.11 2.29 4.22 0.90 -1.46 114.94 117.72 1dp0 s ASN 885 Ca 0.23 -0.61 -0.25 0.00 -2.14 0.00 0.00 52.86 50.09 1dp0 s ASN 885 Cb 0.00 0.37 0.08 0.00 1.28 0.00 0.00 41.25 42.99 1dp0 s ASN 885 CO 0.07 -0.77 0.73 0.00 -2.04 0.00 0.00 177.10 175.09 1dp0 s GLN 887 N -3.51 2.71 0.43 0.00 0.74 -1.24 -0.71 119.66 118.09 1dp0 s GLN 887 Ca 0.03 -1.12 -0.21 0.00 0.05 0.00 0.00 55.36 54.11 1dp0 s GLN 887 Cb -0.01 -3.47 -0.10 0.00 1.10 0.00 0.00 33.01 30.52 1dp0 s GLN 887 CO -0.10 -0.63 0.98 -0.51 -0.55 0.00 0.00 175.29 174.47 1dp0 s LEU 888 N 1.43 3.95 0.40 3.68 1.43 0.24 0.02 118.68 129.83 1dp0 s LEU 888 Ca -0.01 1.77 0.21 0.00 -1.03 0.00 0.00 54.13 55.07 1dp0 s LEU 888 Cb -0.19 -4.49 0.78 0.00 0.03 0.00 0.00 46.19 42.32 1dp0 s LEU 888 CO 0.03 -0.45 1.78 0.00 0.23 0.00 0.00 176.35 177.94 1dp0 h ALA 889 N 1.94 1.02 -2.34 4.21 0.00 -0.82 -0.51 119.26 122.75 1dp0 h ALA 889 Ca -0.49 -0.29 -0.50 0.00 0.00 0.00 0.00 54.91 53.63 1dp0 h ALA 889 Cb 1.19 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1dp0 h ALA 889 CO 0.61 0.39 0.06 -1.14 0.00 0.00 0.00 179.25 179.18 1dp0 s GLN 890 N -3.66 3.90 -0.22 0.00 0.74 -1.26 -4.31 119.66 114.85 1dp0 s GLN 890 Ca 0.00 0.54 0.01 0.00 0.05 0.00 0.00 55.36 55.96 1dp0 s GLN 890 Cb 0.11 -2.46 0.04 0.00 1.10 0.00 0.00 33.01 31.80 1dp0 s GLN 890 CO 0.67 0.13 -0.15 0.08 -0.55 0.00 0.00 175.29 175.47 1dp0 s VAL 891 N -2.07 2.19 0.30 1.34 1.01 -1.26 -3.49 120.40 118.42 1dp0 s VAL 891 Ca 0.52 -1.22 0.09 0.00 0.00 0.00 0.00 61.98 61.37 1dp0 s VAL 891 Cb -0.10 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1dp0 s VAL 891 CO 0.22 0.28 0.02 0.00 0.00 0.00 0.00 175.10 175.62 1dp0 s ALA 892 N 1.22 3.22 0.14 5.51 0.00 -1.26 -5.06 121.76 125.53 1dp0 s ALA 892 Ca -0.01 -1.76 -0.05 0.00 0.00 0.00 0.00 51.96 50.14 1dp0 s ALA 892 Cb -0.16 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.25 1dp0 s ALA 892 CO -0.09 0.18 1.35 0.93 0.00 0.00 0.00 175.76 178.13 1dp0 h GLU 893 N 1.82 0.46 -6.41 0.00 5.08 -1.99 -3.43 114.58 110.11 1dp0 h GLU 893 Ca -0.44 -0.44 -0.63 0.00 -1.00 0.00 0.00 59.36 56.86 1dp0 h GLU 893 Cb 1.25 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 30.45 1dp0 h GLU 893 CO 0.62 1.08 -0.77 1.03 -1.00 0.00 0.00 179.01 179.97 1dp0 s ARG 894 N -3.46 1.71 -0.11 2.33 1.81 -1.26 -1.81 118.95 118.16 1dp0 s ARG 894 Ca -0.06 -1.57 0.01 0.00 -1.72 0.00 0.00 55.73 52.39 1dp0 s ARG 894 Cb 0.09 -1.89 0.02 0.00 -0.45 0.00 0.00 34.95 32.72 1dp0 s ARG 894 CO 0.86 0.38 -0.13 0.08 -0.68 0.00 0.00 175.30 175.81 1dp0 s VAL 895 N -2.03 1.38 -0.07 3.52 1.01 -0.15 -4.55 120.40 119.51 1dp0 s VAL 895 Ca 0.25 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1dp0 s VAL 895 Cb -0.07 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.03 1dp0 s VAL 895 CO 0.13 0.42 -0.14 0.21 0.00 0.00 0.00 175.10 175.72 1dp0 s ASN 896 N 1.14 2.04 0.10 3.32 3.84 -0.86 -1.13 114.94 123.38 1dp0 s ASN 896 Ca -0.04 -0.35 -0.10 0.00 0.21 0.00 0.00 52.86 52.57 1dp0 s ASN 896 Cb -0.14 -0.94 0.01 0.00 -0.55 0.00 0.00 41.25 39.62 1dp0 s ASN 896 CO -0.03 0.05 0.24 -1.66 -2.79 0.00 0.00 177.10 172.91 1dp0 s TRP 897 N 0.64 0.06 -0.35 0.43 -2.14 0.38 0.82 118.94 118.79 1dp0 s TRP 897 Ca -0.15 -0.47 -0.04 0.00 2.66 0.00 0.00 56.10 58.11 1dp0 s TRP 897 Cb -0.16 0.02 0.07 0.00 -3.10 0.00 0.00 33.47 30.30 1dp0 s TRP 897 CO 0.04 -0.58 0.10 -1.17 -2.66 0.00 0.00 176.95 172.68 1dp0 s LEU 898 N -2.85 4.48 0.00 -4.66 2.96 0.34 -0.10 118.68 118.85 1dp0 s LEU 898 Ca 0.04 -1.49 0.00 0.00 -0.22 0.00 0.00 54.13 52.46 1dp0 s LEU 898 Cb 0.04 -1.80 0.00 0.00 0.50 0.00 0.00 46.19 44.93 1dp0 s LEU 898 CO -0.11 -0.38 0.00 0.61 -1.32 0.00 0.00 176.35 175.15 1dp0 n GLY 899 N 4.67 -0.69 3.75 7.98 0.00 -0.70 -0.47 105.19 119.72 1dp0 n GLY 899 Ca -0.09 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.68 1dp0 n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1dp0 s LEU 900 N 0.00 4.60 0.00 0.99 1.43 -0.73 -2.00 118.68 122.96 1dp0 s LEU 900 Ca 0.00 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.11 1dp0 s LEU 900 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1dp0 s LEU 900 CO 0.00 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.23 1dp0 n GLY 901 N 1.57 -0.74 0.16 -3.19 0.00 0.15 -4.42 105.19 98.72 1dp0 n GLY 901 Ca -0.01 -0.70 0.12 0.00 0.00 0.00 0.00 46.02 45.44 1dp0 n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1dp0 h PRO 902 N 0.00 0.00 -7.24 1.61 0.13 -1.93 0.92 132.00 125.48 1dp0 h PRO 902 Ca 0.00 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.67 1dp0 h PRO 902 Cb 0.00 0.00 0.07 0.00 0.13 0.00 0.00 31.00 31.20 1dp0 h PRO 902 CO 0.00 0.00 0.21 -0.65 -0.23 0.00 0.00 178.00 177.33 1dp0 s GLN 903 N -3.18 2.40 0.21 0.86 -0.21 -1.26 -4.98 119.66 113.50 1dp0 s GLN 903 Ca 0.08 -0.20 -0.31 0.00 0.02 0.00 0.00 55.36 54.95 1dp0 s GLN 903 Cb 0.08 -2.20 -0.15 0.00 1.00 0.00 0.00 33.01 31.74 1dp0 s GLN 903 CO 0.66 -1.09 1.10 -1.91 -2.12 0.00 0.00 175.29 171.93 1dp0 n GLU 904 N -2.82 1.21 -3.77 2.91 2.13 -1.26 -4.88 120.64 114.16 1dp0 n GLU 904 Ca 0.07 0.43 -0.13 0.00 0.66 0.00 0.00 57.16 58.19 1dp0 n GLU 904 Cb 0.60 -1.87 -0.11 0.00 0.27 0.00 0.00 31.44 30.33 1dp0 n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1dp0 s ASN 905 N -0.22 -0.29 0.30 4.31 2.20 0.78 -4.92 114.94 117.11 1dp0 s ASN 905 Ca 0.68 0.53 0.06 0.00 -0.94 0.00 0.00 52.86 53.19 1dp0 s ASN 905 Cb -0.80 0.57 -0.06 0.00 -2.00 0.00 0.00 41.25 38.97 1dp0 s ASN 905 CO 0.55 -0.16 -0.04 -0.31 -2.94 0.00 0.00 177.10 174.20 1dp0 s TYR 906 N -0.08 2.02 0.28 1.54 1.51 -0.86 -3.81 117.35 117.95 1dp0 s TYR 906 Ca -0.02 -0.72 0.02 0.00 -1.01 0.00 0.00 57.07 55.34 1dp0 s TYR 906 Cb -0.03 -1.20 0.65 0.00 -0.11 0.00 0.00 41.96 41.27 1dp0 s TYR 906 CO 0.01 0.28 1.71 -1.35 -1.11 0.00 0.00 175.55 175.09 1dp0 h PRO 907 N 2.20 0.42 -0.67 -1.71 0.11 -1.86 0.20 132.00 130.71 1dp0 h PRO 907 Ca -0.40 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1dp0 h PRO 907 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1dp0 h PRO 907 CO 0.69 0.28 0.00 -0.40 -0.21 0.00 0.00 178.00 178.36 1dp0 n ASP 908 N -5.02 3.82 -3.03 -2.05 5.75 -1.26 -4.32 116.55 110.44 1dp0 n ASP 908 Ca 0.20 -2.11 -0.16 0.00 -0.01 0.00 0.00 54.79 52.70 1dp0 n ASP 908 Cb 0.58 -0.48 -0.00 0.00 -1.03 0.00 0.00 41.12 40.19 1dp0 n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1dp0 n ARG 909 N 1.34 0.89 0.00 0.11 0.63 0.67 -0.70 116.66 119.61 1dp0 n ARG 909 Ca 0.23 -2.81 0.00 0.00 -0.92 0.00 0.00 57.85 54.35 1dp0 n ARG 909 Cb 0.64 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 32.14 1dp0 n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 1dp0 n LEU 910 N 0.77 0.57 0.08 6.15 -0.00 -0.94 -2.03 117.00 121.59 1dp0 n LEU 910 Ca 0.18 -0.57 -0.01 0.00 -0.00 0.00 0.00 56.01 55.61 1dp0 n LEU 910 Cb 0.63 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 44.32 1dp0 n LEU 910 CO 0.14 0.14 0.76 0.71 -0.00 0.00 0.00 177.39 179.14 1dp0 h THR 911 N 1.97 1.25 0.00 1.47 1.35 -1.91 -2.64 112.91 114.40 1dp0 h THR 911 Ca 0.00 -1.19 -0.04 0.00 -0.55 0.00 0.00 66.41 64.62 1dp0 h THR 911 Cb 0.80 1.42 -0.01 0.00 -1.73 0.00 0.00 68.15 68.63 1dp0 h THR 911 CO 0.00 0.37 -0.20 0.00 -0.25 0.00 0.00 175.52 175.43 1dp0 h ALA 912 N 1.45 0.96 -2.70 6.62 0.00 -1.88 -3.45 119.26 120.26 1dp0 h ALA 912 Ca 0.04 -0.19 -0.51 0.00 0.00 0.00 0.00 54.91 54.25 1dp0 h ALA 912 Cb 0.62 -0.03 0.09 0.00 0.00 0.00 0.00 17.79 18.46 1dp0 h ALA 912 CO 0.04 0.25 0.45 0.00 0.00 0.00 0.00 179.25 180.00 1dp0 s ALA 913 N -3.49 2.66 0.08 0.00 0.00 -1.00 -4.98 121.76 115.03 1dp0 s ALA 913 Ca 0.02 0.91 0.09 0.00 0.00 0.00 0.00 51.96 52.98 1dp0 s ALA 913 Cb 0.09 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 1dp0 s ALA 913 CO 0.64 -0.92 -0.24 0.00 0.00 0.00 0.00 175.76 175.24 1dp0 s PHE 915 N -0.94 3.29 0.06 0.00 5.36 -1.26 -0.67 117.98 123.83 1dp0 s PHE 915 Ca 0.11 1.34 -0.08 0.00 -0.96 0.00 0.00 56.93 57.33 1dp0 s PHE 915 Cb -0.10 -3.32 0.03 0.00 -0.34 0.00 0.00 43.02 39.29 1dp0 s PHE 915 CO 0.03 -0.53 0.40 -3.47 -1.46 0.00 0.00 175.22 170.20 1dp0 n ASP 916 N 6.38 -0.65 -4.61 6.13 -0.08 -0.85 -4.94 116.55 117.93 1dp0 n ASP 916 Ca 0.11 -1.33 -0.37 0.00 -1.51 0.00 0.00 54.79 51.69 1dp0 n ASP 916 Cb 0.47 1.05 -0.10 0.00 2.34 0.00 0.00 41.12 44.87 1dp0 n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 1dp0 s ARG 917 N -2.02 3.99 0.19 -0.67 6.06 -1.26 -1.72 118.95 123.52 1dp0 s ARG 917 Ca 0.09 -0.31 0.11 0.00 -2.50 0.00 0.00 55.73 53.13 1dp0 s ARG 917 Cb -0.01 -3.58 -0.04 0.00 0.06 0.00 0.00 34.95 31.37 1dp0 s ARG 917 CO 0.02 -0.07 -0.24 -1.58 -2.50 0.00 0.00 175.30 170.93 1dp0 s TRP 918 N 1.43 2.29 -0.17 5.12 0.52 0.85 -4.97 118.94 124.02 1dp0 s TRP 918 Ca 0.07 -0.36 -0.05 0.00 0.02 0.00 0.00 56.10 55.78 1dp0 s TRP 918 Cb -0.15 -1.13 0.08 0.00 -1.15 0.00 0.00 33.47 31.12 1dp0 s TRP 918 CO 0.08 0.50 0.31 0.34 0.02 0.00 0.00 176.95 178.20 1dp0 s ASP 919 N -2.69 0.31 0.10 2.95 -1.08 -1.26 -0.47 116.67 114.54 1dp0 s ASP 919 Ca 0.21 0.55 0.03 0.00 -0.52 0.00 0.00 52.55 52.82 1dp0 s ASP 919 Cb -0.08 0.87 -0.04 0.00 -1.46 0.00 0.00 42.92 42.21 1dp0 s ASP 919 CO 0.10 -0.25 -0.08 -0.76 0.52 0.00 0.00 175.17 174.70 1dp0 s LEU 920 N 2.47 2.49 0.60 -1.34 1.43 -0.29 -4.97 118.68 119.07 1dp0 s LEU 920 Ca 0.03 -0.96 -0.19 0.00 -1.03 0.00 0.00 54.13 51.98 1dp0 s LEU 920 Cb -0.13 -0.16 -0.03 0.00 0.03 0.00 0.00 46.19 45.90 1dp0 s LEU 920 CO -0.11 -0.40 1.25 -2.16 0.23 0.00 0.00 176.35 175.16 1dp0 s PRO 921 N -3.57 2.90 0.32 1.29 0.04 -1.26 -0.98 135.00 133.75 1dp0 s PRO 921 Ca 0.11 1.93 0.04 0.00 0.04 0.00 0.00 61.00 63.13 1dp0 s PRO 921 Cb 0.03 -1.96 0.66 0.00 0.04 0.00 0.00 34.50 33.27 1dp0 s PRO 921 CO -0.03 -1.29 1.88 1.25 0.04 0.00 0.00 177.00 178.86 1dp0 h LEU 922 N 0.90 0.80 -2.50 -3.56 5.85 -1.63 -1.14 115.31 114.02 1dp0 h LEU 922 Ca -0.51 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1dp0 h LEU 922 Cb 1.31 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1dp0 h LEU 922 CO 0.55 0.45 -0.02 0.77 -0.34 0.00 0.00 178.44 179.85 1dp0 h SER 923 N 0.87 0.00 0.46 1.25 4.64 -1.90 0.68 113.55 119.55 1dp0 h SER 923 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 1dp0 h SER 923 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 1dp0 h SER 923 CO -0.19 0.02 0.00 0.47 -0.87 0.00 0.00 176.83 176.26 1dp0 n ASP 924 N -3.43 0.00 -0.50 4.97 8.00 -0.43 -2.29 116.55 122.86 1dp0 n ASP 924 Ca -0.02 0.13 0.12 0.00 0.71 0.00 0.00 54.79 55.73 1dp0 n ASP 924 Cb 0.12 -0.34 0.44 0.00 -0.02 0.00 0.00 41.12 41.32 1dp0 n ASP 924 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1dp0 n MET 925 N -1.34 1.67 -5.14 -1.24 2.81 0.23 -4.77 117.12 109.34 1dp0 n MET 925 Ca 0.08 -1.00 -0.30 0.00 -1.81 0.00 0.00 57.70 54.68 1dp0 n MET 925 Cb 0.18 -1.42 -0.16 0.00 -0.71 0.00 0.00 33.22 31.10 1dp0 n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 1dp0 s TYR 926 N -1.87 2.26 -0.25 2.03 5.04 -0.97 -4.48 117.35 119.11 1dp0 s TYR 926 Ca 0.34 -0.71 -0.07 0.00 -2.44 0.00 0.00 57.07 54.19 1dp0 s TYR 926 Cb 0.18 -1.49 -0.03 0.00 0.35 0.00 0.00 41.96 40.97 1dp0 s TYR 926 CO 0.29 -0.24 0.07 0.99 -1.34 0.00 0.00 175.55 175.32 1dp0 s THR 927 N -0.02 4.30 -1.54 4.34 2.01 -1.26 -4.97 115.64 118.50 1dp0 s THR 927 Ca -0.06 -0.18 -0.10 0.00 0.31 0.00 0.00 61.69 61.66 1dp0 s THR 927 Cb -0.14 -3.01 -0.03 0.00 0.01 0.00 0.00 72.50 69.34 1dp0 s THR 927 CO 0.04 0.34 2.71 -0.81 -0.69 0.00 0.00 174.62 176.22 1dp0 n PRO 928 N 4.90 3.69 -1.75 4.92 -0.04 -1.26 -4.86 135.00 140.61 1dp0 n PRO 928 Ca -0.16 -2.51 -0.41 0.00 -0.04 0.00 0.00 63.50 60.38 1dp0 n PRO 928 Cb 0.51 -2.86 0.01 0.00 -0.04 0.00 0.00 33.50 31.12 1dp0 n PRO 928 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1dp0 n TYR 929 N 3.75 2.64 -0.23 0.54 4.02 -1.26 -4.86 117.16 121.76 1dp0 n TYR 929 Ca 0.70 0.47 -0.01 0.00 -0.01 0.00 0.00 57.90 59.05 1dp0 n TYR 929 Cb 0.27 -2.46 0.10 0.00 -0.02 0.00 0.00 39.34 37.22 1dp0 n TYR 929 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1dp0 h VAL 930 N 2.54 0.97 -3.56 -0.72 2.07 -1.96 -3.30 116.25 112.28 1dp0 h VAL 930 Ca -0.49 -0.24 -0.69 0.00 0.82 0.00 0.00 66.70 66.10 1dp0 h VAL 930 Cb 1.27 0.21 -0.19 0.00 -1.52 0.00 0.00 31.29 31.06 1dp0 h VAL 930 CO 0.62 0.13 -0.25 0.12 0.02 0.00 0.00 177.57 178.21 1dp0 s PHE 931 N -6.09 3.19 0.45 1.57 5.36 -1.26 -0.76 117.98 120.43 1dp0 s PHE 931 Ca -0.13 -0.32 -0.23 0.00 -0.96 0.00 0.00 56.93 55.30 1dp0 s PHE 931 Cb 0.16 -2.81 -0.08 0.00 -0.34 0.00 0.00 43.02 39.96 1dp0 s PHE 931 CO 0.76 -0.63 1.13 -2.14 -1.46 0.00 0.00 175.22 172.88 1dp0 s PRO 932 N 2.06 3.84 0.20 10.12 0.02 -1.24 -4.95 135.00 145.05 1dp0 s PRO 932 Ca 0.11 1.68 -0.08 0.00 0.02 0.00 0.00 61.00 62.73 1dp0 s PRO 932 Cb -0.17 -2.40 0.03 0.00 0.02 0.00 0.00 34.50 31.98 1dp0 s PRO 932 CO 0.13 -0.46 0.42 -1.13 -0.33 0.00 0.00 177.00 175.63 1dp0 n SER 933 N -0.45 -1.18 -4.67 2.53 3.41 -1.26 -4.73 113.62 107.27 1dp0 n SER 933 Ca 0.07 -1.81 -0.44 0.00 -0.26 0.00 0.00 58.87 56.43 1dp0 n SER 933 Cb 0.49 1.97 -0.01 0.00 -0.26 0.00 0.00 64.21 66.39 1dp0 n SER 933 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1dp0 n GLU 934 N -0.28 1.96 -3.67 4.33 4.07 -0.37 -4.94 120.64 121.73 1dp0 n GLU 934 Ca -0.04 0.69 -0.07 0.00 -0.06 0.00 0.00 57.16 57.67 1dp0 n GLU 934 Cb 0.31 -2.25 -0.02 0.00 -0.06 0.00 0.00 31.44 29.42 1dp0 n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1dp0 s ASN 935 N -0.19 -0.32 0.00 4.31 2.20 -1.26 -4.88 114.94 114.79 1dp0 s ASN 935 Ca 0.59 -0.31 0.00 0.00 -0.94 0.00 0.00 52.86 52.21 1dp0 s ASN 935 Cb -0.62 0.57 0.00 0.00 -2.00 0.00 0.00 41.25 39.21 1dp0 s ASN 935 CO 0.58 -1.01 0.00 0.61 -2.94 0.00 0.00 177.10 174.34 1dp0 n GLY 936 N -0.41 0.90 3.74 0.45 0.00 -1.26 -4.82 105.19 103.80 1dp0 n GLY 936 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1dp0 n GLY 936 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dp0 s LEU 937 N 0.00 3.64 -0.07 0.99 2.96 -1.26 -4.61 118.68 120.33 1dp0 s LEU 937 Ca 0.00 2.55 0.02 0.00 -0.22 0.00 0.00 54.13 56.47 1dp0 s LEU 937 Cb 0.00 -4.58 0.02 0.00 0.50 0.00 0.00 46.19 42.13 1dp0 s LEU 937 CO 0.00 -1.80 -0.11 -0.13 -1.32 0.00 0.00 176.35 172.99 1dp0 s ARG 938 N -3.31 1.58 0.56 1.98 3.00 -0.21 -0.15 118.95 122.39 1dp0 s ARG 938 Ca 0.80 -0.35 0.08 0.00 0.00 0.00 0.00 55.73 56.25 1dp0 s ARG 938 Cb -0.35 -1.37 0.06 0.00 0.00 0.00 0.00 34.95 33.29 1dp0 s ARG 938 CO 0.38 -0.03 0.61 0.00 0.00 0.00 0.00 175.30 176.25 1dp0 n GLY 940 N -2.02 -0.49 3.70 0.00 0.00 -1.18 -1.78 105.19 103.43 1dp0 n GLY 940 Ca 0.07 0.14 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1dp0 n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dp0 s THR 941 N -3.15 5.21 -0.14 2.61 2.01 0.40 -3.68 115.64 118.89 1dp0 s THR 941 Ca 0.56 0.81 0.16 0.00 0.31 0.00 0.00 61.69 63.53 1dp0 s THR 941 Cb -0.29 -3.76 -0.24 0.00 0.01 0.00 0.00 72.50 68.22 1dp0 s THR 941 CO 0.68 0.31 0.41 0.54 -0.69 0.00 0.00 174.62 175.87 1dp0 n ARG 942 N 3.96 0.70 -3.71 4.92 5.12 0.38 -1.18 116.66 126.85 1dp0 n ARG 942 Ca -0.08 -0.13 -0.12 0.00 -1.93 0.00 0.00 57.85 55.59 1dp0 n ARG 942 Cb 0.51 -1.37 -0.10 0.00 -1.16 0.00 0.00 32.46 30.35 1dp0 n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1dp0 s GLU 943 N -3.03 0.49 -0.03 5.56 2.12 -1.13 -1.32 118.70 121.37 1dp0 s GLU 943 Ca -0.04 0.71 0.02 0.00 0.36 0.00 0.00 54.97 56.02 1dp0 s GLU 943 Cb 0.11 0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.67 1dp0 s GLU 943 CO 0.68 -0.10 -0.07 -1.17 -0.54 0.00 0.00 175.26 174.05 1dp0 s LEU 944 N 0.67 1.73 -0.05 2.70 2.96 0.61 -0.50 118.68 126.81 1dp0 s LEU 944 Ca -0.04 -0.16 0.04 0.00 -0.22 0.00 0.00 54.13 53.76 1dp0 s LEU 944 Cb -0.05 -0.48 -0.00 0.00 0.50 0.00 0.00 46.19 46.16 1dp0 s LEU 944 CO -0.05 0.04 -0.18 0.20 -1.32 0.00 0.00 176.35 175.05 1dp0 s ASN 945 N 0.29 2.29 -0.22 3.68 0.01 0.24 -1.01 114.94 120.22 1dp0 s ASN 945 Ca -0.04 -0.38 -0.08 0.00 -0.71 0.00 0.00 52.86 51.65 1dp0 s ASN 945 Cb -0.09 -0.71 0.09 0.00 0.41 0.00 0.00 41.25 40.95 1dp0 s ASN 945 CO 0.00 0.15 0.48 -0.47 -1.51 0.00 0.00 177.10 175.75 1dp0 s TYR 946 N 0.11 -0.89 0.00 2.20 5.04 -0.19 -2.03 117.35 121.58 1dp0 s TYR 946 Ca -0.06 1.68 0.00 0.00 -2.44 0.00 0.00 57.07 56.25 1dp0 s TYR 946 Cb -0.13 0.41 0.00 0.00 0.35 0.00 0.00 41.96 42.60 1dp0 s TYR 946 CO 0.03 -0.50 0.00 0.41 -1.34 0.00 0.00 175.55 174.15 1dp0 n GLY 947 N 5.17 2.93 0.00 8.97 0.00 -1.26 -1.04 105.19 119.97 1dp0 n GLY 947 Ca -0.12 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.66 1dp0 n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1dp0 n PRO 948 N 13.85 0.57 -3.76 1.61 -0.04 -1.26 -4.86 135.00 141.12 1dp0 n PRO 948 Ca 0.00 0.02 -0.33 0.00 -0.04 0.00 0.00 63.50 63.15 1dp0 n PRO 948 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1dp0 n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1dp0 s HIS 949 N -2.37 3.54 -0.02 0.54 3.76 -0.21 0.60 115.29 121.13 1dp0 s HIS 949 Ca 0.32 0.52 0.02 0.00 -0.15 0.00 0.00 55.06 55.77 1dp0 s HIS 949 Cb 0.19 -1.96 0.01 0.00 1.11 0.00 0.00 32.58 31.93 1dp0 s HIS 949 CO 0.39 0.56 -0.07 -1.14 -0.85 0.00 0.00 174.74 173.63 1dp0 s GLN 950 N -2.15 0.79 -0.01 1.40 0.74 -0.31 -1.03 119.66 119.08 1dp0 s GLN 950 Ca 0.33 -0.22 0.05 0.00 0.05 0.00 0.00 55.36 55.56 1dp0 s GLN 950 Cb -0.13 -0.76 -0.01 0.00 1.10 0.00 0.00 33.01 33.21 1dp0 s GLN 950 CO 0.21 0.07 -0.16 -1.58 -0.55 0.00 0.00 175.29 173.27 1dp0 s TRP 951 N 0.29 1.48 0.10 1.67 0.51 -0.18 -0.78 118.94 122.04 1dp0 s TRP 951 Ca -0.04 -0.29 0.07 0.00 -2.12 0.00 0.00 56.10 53.72 1dp0 s TRP 951 Cb -0.08 -0.96 -0.03 0.00 -0.81 0.00 0.00 33.47 31.58 1dp0 s TRP 951 CO 0.00 -0.03 -0.17 1.03 -0.51 0.00 0.00 176.95 177.27 1dp0 s ARG 952 N -0.36 0.99 0.00 4.98 0.52 -0.04 -0.28 118.95 124.77 1dp0 s ARG 952 Ca 0.06 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.17 1dp0 s ARG 952 Cb -0.07 -1.09 0.00 0.00 0.52 0.00 0.00 34.95 34.31 1dp0 s ARG 952 CO -0.00 0.24 0.00 0.41 0.02 0.00 0.00 175.30 175.97 1dp0 n GLY 953 N 1.06 -0.38 2.71 -3.53 0.00 -0.43 -1.02 105.19 103.59 1dp0 n GLY 953 Ca -0.19 -0.40 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1dp0 n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1dp0 s ASP 954 N -4.00 -0.03 0.34 1.61 2.15 -1.24 -4.13 116.67 111.37 1dp0 s ASP 954 Ca 0.00 -1.95 0.08 0.00 0.43 0.00 0.00 52.55 51.10 1dp0 s ASP 954 Cb 0.00 0.94 -0.03 0.00 -0.30 0.00 0.00 42.92 43.53 1dp0 s ASP 954 CO 0.00 -0.15 0.28 2.22 -0.17 0.00 0.00 175.17 177.35 1dp0 n PHE 955 N 3.41 -0.75 -4.36 -5.34 1.16 -0.32 -4.86 117.46 106.39 1dp0 n PHE 955 Ca 0.19 -2.83 -0.28 0.00 -1.87 0.00 0.00 57.45 52.66 1dp0 n PHE 955 Cb 0.51 0.28 -0.12 0.00 -1.61 0.00 0.00 39.48 38.54 1dp0 n PHE 955 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1dp0 s GLN 956 N -3.38 1.62 0.19 3.97 -1.52 -0.01 -0.45 119.66 120.08 1dp0 s GLN 956 Ca 0.39 -1.32 -0.14 0.00 -1.95 0.00 0.00 55.36 52.34 1dp0 s GLN 956 Cb 0.02 -1.99 0.01 0.00 -0.22 0.00 0.00 33.01 30.83 1dp0 s GLN 956 CO 0.28 0.45 0.43 -0.59 -0.25 0.00 0.00 175.29 175.61 1dp0 s PHE 957 N -1.28 0.12 0.04 0.91 -0.12 -0.24 0.31 117.98 117.72 1dp0 s PHE 957 Ca 0.18 -0.47 -0.02 0.00 -0.05 0.00 0.00 56.93 56.56 1dp0 s PHE 957 Cb -0.10 0.21 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 1dp0 s PHE 957 CO 0.09 -0.86 0.02 0.54 -0.05 0.00 0.00 175.22 174.96 1dp0 s ASN 958 N -2.92 0.30 -0.19 1.98 2.20 -0.39 -1.05 114.94 114.86 1dp0 s ASN 958 Ca 0.13 -0.67 -0.12 0.00 -0.94 0.00 0.00 52.86 51.26 1dp0 s ASN 958 Cb 0.01 0.18 0.06 0.00 -2.00 0.00 0.00 41.25 39.50 1dp0 s ASN 958 CO -0.01 -0.47 0.48 -0.51 -2.94 0.00 0.00 177.10 173.65 1dp0 s ILE 959 N -2.67 -0.02 0.11 0.54 2.07 -1.26 -1.45 121.20 118.53 1dp0 s ILE 959 Ca -0.05 0.06 -0.23 0.00 -1.41 0.00 0.00 60.65 59.02 1dp0 s ILE 959 Cb -0.01 -0.70 0.08 0.00 0.13 0.00 0.00 42.46 41.96 1dp0 s ILE 959 CO -0.05 0.02 1.09 -1.54 -1.91 0.00 0.00 174.94 172.55 1dp0 n SER 960 N 4.05 -1.51 -1.08 4.50 3.41 -0.49 -4.57 113.62 117.93 1dp0 n SER 960 Ca -0.21 -1.67 0.08 0.00 -0.26 0.00 0.00 58.87 56.81 1dp0 n SER 960 Cb 0.56 2.43 0.24 0.00 -0.26 0.00 0.00 64.21 67.18 1dp0 n SER 960 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1dp0 n ARG 961 N -0.77 2.52 -5.14 4.33 5.12 -1.26 -0.60 116.66 120.86 1dp0 n ARG 961 Ca 0.00 -1.97 -0.32 0.00 -1.93 0.00 0.00 57.85 53.63 1dp0 n ARG 961 Cb 0.57 -1.53 -0.17 0.00 -1.16 0.00 0.00 32.46 30.17 1dp0 n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1dp0 s TYR 962 N -1.48 2.59 0.76 -1.55 1.51 -1.26 -0.21 117.35 117.70 1dp0 s TYR 962 Ca 0.36 -1.04 -0.11 0.00 -1.01 0.00 0.00 57.07 55.27 1dp0 s TYR 962 Cb 0.21 -1.73 0.05 0.00 -0.11 0.00 0.00 41.96 40.37 1dp0 s TYR 962 CO 0.22 -0.42 1.08 -1.54 -1.11 0.00 0.00 175.55 173.78 1dp0 s SER 963 N 0.38 4.85 0.34 2.29 1.04 -1.26 -4.84 113.70 116.50 1dp0 s SER 963 Ca -0.17 1.41 0.03 0.00 0.48 0.00 0.00 55.95 57.70 1dp0 s SER 963 Cb -0.18 -2.20 0.61 0.00 0.10 0.00 0.00 66.02 64.36 1dp0 s SER 963 CO 0.08 -1.76 1.95 1.56 0.98 0.00 0.00 173.24 176.05 1dp0 h GLN 964 N -0.94 0.71 -0.61 4.02 1.08 -1.99 -1.08 115.11 116.30 1dp0 h GLN 964 Ca -0.46 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 56.64 1dp0 h GLN 964 Cb 1.25 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 28.51 1dp0 h GLN 964 CO 0.59 0.56 0.33 0.37 -0.95 0.00 0.00 178.83 179.72 1dp0 h GLN 965 N 0.71 0.85 -0.36 1.46 4.15 -1.99 -0.29 115.11 119.64 1dp0 h GLN 965 Ca 0.18 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.47 1dp0 h GLN 965 Cb 0.09 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.60 1dp0 h GLN 965 CO -0.02 0.66 0.14 0.37 -1.93 0.00 0.00 178.83 178.04 1dp0 h GLN 966 N 0.83 0.54 -0.89 1.69 4.15 -1.78 -1.57 115.11 118.07 1dp0 h GLN 966 Ca 0.21 -0.10 0.01 0.00 0.77 0.00 0.00 58.65 59.54 1dp0 h GLN 966 Cb 0.06 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.62 1dp0 h GLN 966 CO -0.03 0.53 0.59 -0.07 -1.93 0.00 0.00 178.83 177.92 1dp0 h LEU 967 N 0.43 1.02 -0.59 -2.39 3.38 -0.86 -2.01 115.31 114.29 1dp0 h LEU 967 Ca 0.12 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1dp0 h LEU 967 Cb 0.20 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1dp0 h LEU 967 CO -0.01 0.74 0.00 0.00 0.09 0.00 0.00 178.44 179.26 1dp0 h MET 968 N 1.21 0.00 -0.01 1.13 -0.00 -0.68 -3.07 114.93 113.51 1dp0 h MET 968 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.03 1dp0 h MET 968 Cb -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.46 1dp0 h MET 968 CO -0.07 0.00 -0.39 0.39 -0.00 0.00 0.00 176.91 176.84 1dp0 n GLU 969 N -2.96 0.65 -4.65 -0.10 1.02 -0.63 -4.88 120.64 109.09 1dp0 n GLU 969 Ca 0.03 -0.42 -0.33 0.00 -0.02 0.00 0.00 57.16 56.42 1dp0 n GLU 969 Cb 0.42 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 30.21 1dp0 n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1dp0 s THR 970 N -2.64 3.38 -0.18 2.62 2.01 -0.87 -5.01 115.64 114.95 1dp0 s THR 970 Ca 0.20 -0.55 0.22 0.00 0.31 0.00 0.00 61.69 61.86 1dp0 s THR 970 Cb 0.18 -2.43 -0.09 0.00 0.01 0.00 0.00 72.50 70.17 1dp0 s THR 970 CO 0.59 0.53 0.89 -1.54 -0.69 0.00 0.00 174.62 174.39 1dp0 n SER 971 N 3.30 0.67 -3.90 3.53 3.41 -1.26 -4.13 113.62 115.24 1dp0 n SER 971 Ca -0.18 0.26 -0.18 0.00 -0.26 0.00 0.00 58.87 58.51 1dp0 n SER 971 Cb 0.53 0.73 -0.16 0.00 -0.26 0.00 0.00 64.21 65.04 1dp0 n SER 971 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1dp0 s HIS 972 N -3.33 0.62 0.48 7.33 3.76 -1.26 -4.32 115.29 118.58 1dp0 s HIS 972 Ca -0.02 -0.14 0.19 0.00 -0.15 0.00 0.00 55.06 54.93 1dp0 s HIS 972 Cb 0.10 -0.53 1.20 0.00 1.11 0.00 0.00 32.58 34.46 1dp0 s HIS 972 CO 0.82 -0.13 2.00 0.07 -0.85 0.00 0.00 174.74 176.65 1dp0 h ARG 973 N 6.86 0.20 0.00 1.40 0.11 -1.15 -0.56 114.38 121.25 1dp0 h ARG 973 Ca -0.37 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.70 1dp0 h ARG 973 Cb 1.16 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.19 1dp0 h ARG 973 CO 0.48 0.13 0.00 -2.39 0.10 0.00 0.00 179.97 178.29 1dp0 n HIS 974 N -4.44 0.55 1.11 4.08 1.44 -1.26 -1.90 115.22 114.79 1dp0 n HIS 974 Ca 0.09 0.25 0.12 0.00 -2.01 0.00 0.00 57.72 56.17 1dp0 n HIS 974 Cb 0.45 -0.90 0.16 0.00 0.12 0.00 0.00 29.99 29.82 1dp0 n HIS 974 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1dp0 n LEU 975 N -2.03 1.92 -4.78 2.39 4.77 -0.22 -4.94 117.00 114.11 1dp0 n LEU 975 Ca 0.01 -0.66 -0.35 0.00 -0.03 0.00 0.00 56.01 54.98 1dp0 n LEU 975 Cb 0.12 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.17 1dp0 n LEU 975 CO 0.12 0.34 0.77 -0.76 -1.33 0.00 0.00 177.39 176.54 1dp0 s LEU 976 N -2.34 3.83 -0.02 2.23 1.43 -0.80 -5.04 118.68 117.97 1dp0 s LEU 976 Ca 0.24 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 55.48 1dp0 s LEU 976 Cb 0.19 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 41.91 1dp0 s LEU 976 CO 0.48 -1.02 -0.07 -1.38 0.23 0.00 0.00 176.35 174.59 1dp0 s HIS 977 N -1.79 0.78 0.28 0.29 -3.43 -1.26 -5.11 115.29 105.06 1dp0 s HIS 977 Ca 0.69 -0.19 -0.30 0.00 -0.80 0.00 0.00 55.06 54.47 1dp0 s HIS 977 Cb -0.22 -0.58 -0.11 0.00 -1.43 0.00 0.00 32.58 30.23 1dp0 s HIS 977 CO 0.26 -0.09 1.61 0.00 -2.00 0.00 0.00 174.74 174.52 1dp0 s ALA 978 N 0.25 3.77 0.67 -1.38 0.00 -1.26 -4.84 121.76 118.97 1dp0 s ALA 978 Ca -0.03 1.57 -0.02 0.00 0.00 0.00 0.00 51.96 53.47 1dp0 s ALA 978 Cb -0.08 -3.65 0.08 0.00 0.00 0.00 0.00 23.12 19.47 1dp0 s ALA 978 CO 0.00 -0.98 0.95 -1.21 0.00 0.00 0.00 175.76 174.52 1dp0 s GLU 979 N -0.31 2.04 0.36 0.00 2.02 0.70 -5.02 118.70 118.50 1dp0 s GLU 979 Ca 0.65 -0.74 -0.27 0.00 0.02 0.00 0.00 54.97 54.62 1dp0 s GLU 979 Cb -0.48 -2.31 -0.09 0.00 0.10 0.00 0.00 34.13 31.34 1dp0 s GLU 979 CO 0.46 -1.21 1.27 -2.00 0.02 0.00 0.00 175.26 173.80 1dp0 s GLU 980 N -5.09 4.20 2.63 1.61 2.12 -1.26 -4.76 118.70 118.15 1dp0 s GLU 980 Ca 0.62 2.11 0.00 0.00 0.36 0.00 0.00 54.97 58.06 1dp0 s GLU 980 Cb -0.08 -2.91 0.00 0.00 0.26 0.00 0.00 34.13 31.39 1dp0 s GLU 980 CO 0.43 -0.28 0.00 0.41 -0.54 0.00 0.00 175.26 175.28 1dp0 n GLY 981 N 0.76 -0.20 2.83 -1.50 0.00 -1.26 -4.83 105.19 100.99 1dp0 n GLY 981 Ca 0.02 -1.04 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 1dp0 n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dp0 s THR 982 N 0.00 0.28 -0.17 2.61 2.01 -0.20 -4.71 115.64 115.46 1dp0 s THR 982 Ca 0.00 0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.81 1dp0 s THR 982 Cb 0.00 -0.36 -0.02 0.00 0.01 0.00 0.00 72.50 72.13 1dp0 s THR 982 CO 0.00 0.17 0.72 0.26 -0.69 0.00 0.00 174.62 175.08 1dp0 s TRP 983 N 1.07 3.42 -0.15 4.92 0.52 0.23 0.80 118.94 129.74 1dp0 s TRP 983 Ca -0.09 1.09 -0.00 0.00 0.02 0.00 0.00 56.10 57.12 1dp0 s TRP 983 Cb -0.14 -2.88 -0.01 0.00 -1.15 0.00 0.00 33.47 29.29 1dp0 s TRP 983 CO -0.01 -0.17 -0.14 -1.17 0.02 0.00 0.00 176.95 175.48 1dp0 s LEU 984 N 1.86 2.61 -0.21 2.99 2.96 0.11 -1.40 118.68 127.60 1dp0 s LEU 984 Ca 0.33 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1dp0 s LEU 984 Cb -0.16 -1.60 0.03 0.00 0.50 0.00 0.00 46.19 44.96 1dp0 s LEU 984 CO 0.12 0.11 -0.14 0.20 -1.32 0.00 0.00 176.35 175.32 1dp0 s ASN 985 N 0.65 3.75 -0.27 3.68 0.01 -0.53 -1.93 114.94 120.30 1dp0 s ASN 985 Ca -0.07 -0.85 -0.02 0.00 -0.71 0.00 0.00 52.86 51.22 1dp0 s ASN 985 Cb -0.16 -1.55 0.04 0.00 0.41 0.00 0.00 41.25 39.99 1dp0 s ASN 985 CO 0.02 -0.07 -0.03 -0.63 -1.51 0.00 0.00 177.10 174.88 1dp0 s ILE 986 N 1.27 2.91 -0.13 0.60 1.01 -0.54 -1.26 121.20 125.06 1dp0 s ILE 986 Ca 0.01 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.41 1dp0 s ILE 986 Cb -0.15 -2.58 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1dp0 s ILE 986 CO -0.09 0.05 0.00 -1.81 0.00 0.00 0.00 174.94 173.09 1dp0 s ASP 987 N 1.29 5.19 0.10 3.58 1.01 0.15 -0.22 116.67 127.76 1dp0 s ASP 987 Ca -0.03 0.05 -0.14 0.00 0.71 0.00 0.00 52.55 53.14 1dp0 s ASP 987 Cb -0.18 -1.69 -0.12 0.00 1.01 0.00 0.00 42.92 41.94 1dp0 s ASP 987 CO -0.03 0.27 1.35 1.23 0.21 0.00 0.00 175.17 178.20 1dp0 h GLY 988 N 5.99 0.83 -5.14 0.21 0.00 -1.21 0.02 103.07 103.77 1dp0 h GLY 988 Ca -0.41 -1.02 -0.18 0.00 0.00 0.00 0.00 47.33 45.71 1dp0 h GLY 988 CO 0.61 0.91 -0.65 -1.36 0.00 0.00 0.00 176.54 176.05 1dp0 s PHE 989 N -4.01 0.11 -0.01 5.60 0.40 -0.99 -4.68 117.98 114.40 1dp0 s PHE 989 Ca -0.11 -0.22 0.01 0.00 -0.60 0.00 0.00 56.93 56.00 1dp0 s PHE 989 Cb 0.09 -0.09 0.00 0.00 0.51 0.00 0.00 43.02 43.53 1dp0 s PHE 989 CO 0.87 -0.14 -0.03 -1.58 0.70 0.00 0.00 175.22 175.03 1dp0 s HIS 990 N -0.89 0.30 0.62 0.36 2.46 -1.26 -0.83 115.29 116.05 1dp0 s HIS 990 Ca -0.10 -0.05 -0.16 0.00 0.47 0.00 0.00 55.06 55.22 1dp0 s HIS 990 Cb -0.06 -0.22 -0.02 0.00 -0.13 0.00 0.00 32.58 32.15 1dp0 s HIS 990 CO -0.00 -0.02 1.10 1.41 -2.47 0.00 0.00 174.74 174.76 1dp0 s MET 991 N 0.05 3.06 0.98 2.88 1.75 0.68 -4.78 119.30 123.92 1dp0 s MET 991 Ca -0.00 1.38 -0.11 0.00 -1.25 0.00 0.00 55.69 55.71 1dp0 s MET 991 Cb -0.03 -1.99 0.18 0.00 2.84 0.00 0.00 34.83 35.84 1dp0 s MET 991 CO -0.00 -1.04 1.11 0.20 -0.65 0.00 0.00 175.02 174.64 1dp0 s GLY 992 N -2.48 1.65 0.01 2.11 0.00 -0.54 -4.73 107.32 103.34 1dp0 s GLY 992 Ca 0.67 0.37 0.22 0.00 0.00 0.00 0.00 44.72 45.98 1dp0 s GLY 992 CO 0.37 0.87 0.76 0.29 0.00 0.00 0.00 173.10 175.39 1dp0 n ILE 993 N -4.39 0.08 -4.69 0.90 -5.35 -1.26 -4.95 119.36 99.70 1dp0 n ILE 993 Ca 0.09 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1dp0 n ILE 993 Cb 0.53 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 1dp0 n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1dp0 n GLY 994 N 1.34 -0.13 0.00 3.28 0.00 -1.26 -4.77 105.19 103.65 1dp0 n GLY 994 Ca -0.00 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.01 1dp0 n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dp0 n GLY 995 N 0.00 -0.37 0.41 -0.02 0.00 -1.26 -0.78 105.19 103.17 1dp0 n GLY 995 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 1dp0 n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dp0 h ASP 996 N 0.00 0.43 -5.32 1.61 3.32 -1.79 -2.22 116.42 112.45 1dp0 h ASP 996 Ca 0.00 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 1dp0 h ASP 996 Cb 0.00 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 39.42 1dp0 h ASP 996 CO 0.00 0.13 -0.27 1.51 -1.72 0.00 0.00 179.24 178.89 1dp0 s ASP 997 N -5.44 -0.01 -0.27 6.45 1.47 -1.26 -4.08 116.67 113.52 1dp0 s ASP 997 Ca -0.08 -1.00 0.10 0.00 1.18 0.00 0.00 52.55 52.74 1dp0 s ASP 997 Cb 0.24 0.50 0.49 0.00 -0.34 0.00 0.00 42.92 43.81 1dp0 s ASP 997 CO 0.79 -1.01 1.42 -1.20 0.68 0.00 0.00 175.17 175.85 1dp0 n SER 998 N -0.31 2.46 0.00 2.11 7.64 -1.26 -4.61 113.62 119.65 1dp0 n SER 998 Ca -0.02 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.13 1dp0 n SER 998 Cb 0.63 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1dp0 n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 1dp0 n TRP 999 N -1.09 0.00 -3.76 1.43 2.14 -1.26 -4.09 117.44 110.80 1dp0 n TRP 999 Ca 0.30 -0.08 -0.10 0.00 2.07 0.00 0.00 57.50 59.70 1dp0 n TRP 999 Cb 0.97 -0.01 -0.06 0.00 -0.81 0.00 0.00 31.31 31.40 1dp0 n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1dp0 s SER 1000N -0.15 -0.05 0.23 -0.67 1.04 -1.26 -4.47 113.70 108.37 1dp0 s SER 1000Ca 0.00 -0.44 -0.32 0.00 0.48 0.00 0.00 55.95 55.68 1dp0 s SER 1000Cb 0.00 0.38 -0.12 0.00 0.10 0.00 0.00 66.02 66.38 1dp0 s SER 1000CO 0.00 -0.74 1.62 -2.65 0.98 0.00 0.00 173.24 172.45 1dp0 n PRO 1001N 0.05 2.54 0.00 4.02 -0.02 -1.26 -4.78 135.00 135.55 1dp0 n PRO 1001Ca -0.16 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 1dp0 n PRO 1001Cb 0.62 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1dp0 n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1dp0 n SER 1002N 3.07 0.73 -4.66 2.55 3.41 -1.26 -4.99 113.62 112.47 1dp0 n SER 1002Ca 0.13 -1.30 -0.43 0.00 -0.26 0.00 0.00 58.87 57.02 1dp0 n SER 1002Cb 0.34 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1dp0 n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1dp0 s VAL 1003N -0.30 4.70 0.62 -3.33 1.01 -1.26 -4.38 120.40 117.46 1dp0 s VAL 1003Ca 0.00 1.97 -0.18 0.00 0.00 0.00 0.00 61.98 63.77 1dp0 s VAL 1003Cb 0.00 -4.28 -0.02 0.00 0.00 0.00 0.00 36.38 32.07 1dp0 s VAL 1003CO 0.00 -0.17 1.18 -0.55 0.00 0.00 0.00 175.10 175.57 1dp0 s SER 1004N 1.22 5.08 0.42 3.32 0.15 -1.26 -4.88 113.70 117.75 1dp0 s SER 1004Ca 0.43 2.30 0.17 0.00 0.70 0.00 0.00 55.95 59.55 1dp0 s SER 1004Cb -0.15 -2.59 1.08 0.00 -1.71 0.00 0.00 66.02 62.65 1dp0 s SER 1004CO 0.06 -1.66 1.88 0.00 1.20 0.00 0.00 173.24 174.72 1dp0 h ALA 1005N 0.61 2.18 0.00 5.45 0.00 -1.96 0.15 119.26 125.69 1dp0 h ALA 1005Ca -0.49 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1dp0 h ALA 1005Cb 1.29 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1dp0 h ALA 1005CO 0.54 -0.44 0.00 -0.85 0.00 0.00 0.00 179.25 178.51 1dp0 n GLU 1006N -4.49 0.12 -0.23 0.00 0.00 -1.26 -2.33 120.64 112.44 1dp0 n GLU 1006Ca 0.17 0.36 0.06 0.00 0.00 0.00 0.00 57.16 57.76 1dp0 n GLU 1006Cb 0.64 -1.74 0.18 0.00 0.00 0.00 0.00 31.44 30.52 1dp0 n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1dp0 n PHE 1007N -1.97 0.57 -3.53 -1.84 3.01 0.04 -4.97 117.46 108.78 1dp0 n PHE 1007Ca 0.03 -0.56 -0.34 0.00 1.01 0.00 0.00 57.45 57.58 1dp0 n PHE 1007Cb 0.20 -0.08 -0.05 0.00 -0.01 0.00 0.00 39.48 39.54 1dp0 n PHE 1007CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1dp0 s GLN 1008N -1.32 3.80 -1.19 -1.08 -0.21 -0.99 -1.46 119.66 117.21 1dp0 s GLN 1008Ca 0.27 0.23 -0.13 0.00 0.02 0.00 0.00 55.36 55.75 1dp0 s GLN 1008Cb 0.16 -2.96 0.19 0.00 1.00 0.00 0.00 33.01 31.41 1dp0 s GLN 1008CO 0.15 0.52 1.38 -0.51 -2.12 0.00 0.00 175.29 174.72 1dp0 s LEU 1009N -2.01 5.28 0.00 2.90 1.43 -1.26 -4.68 118.68 120.33 1dp0 s LEU 1009Ca 0.35 -3.11 0.15 0.00 -1.03 0.00 0.00 54.13 50.49 1dp0 s LEU 1009Cb -0.14 -2.37 0.44 0.00 0.03 0.00 0.00 46.19 44.15 1dp0 s LEU 1009CO 0.19 -0.66 1.36 -1.54 0.23 0.00 0.00 176.35 175.93 1dp0 n SER 1010N 5.12 3.32 0.17 2.29 3.41 -1.26 -4.36 113.62 122.31 1dp0 n SER 1010Ca 0.35 -1.99 0.13 0.00 -0.26 0.00 0.00 58.87 57.10 1dp0 n SER 1010Cb 0.42 -0.33 0.56 0.00 -0.26 0.00 0.00 64.21 64.61 1dp0 n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1dp0 h ALA 1011N 2.93 1.00 0.00 7.33 0.00 -1.98 -3.46 119.26 125.07 1dp0 h ALA 1011Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1dp0 h ALA 1011Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1dp0 h ALA 1011CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1dp0 n GLY 1012N -0.12 2.12 3.12 0.00 0.00 -1.26 -4.88 105.19 104.16 1dp0 n GLY 1012Ca 0.01 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 1dp0 n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1dp0 s ARG 1013N 0.00 2.35 0.04 1.61 0.52 -1.26 -0.21 118.95 122.00 1dp0 s ARG 1013Ca 0.00 -0.64 0.05 0.00 -0.52 0.00 0.00 55.73 54.62 1dp0 s ARG 1013Cb 0.00 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.61 1dp0 s ARG 1013CO 0.00 0.10 -0.14 0.71 0.02 0.00 0.00 175.30 175.99 1dp0 s TYR 1014N 0.51 1.26 -0.00 -0.53 1.51 -0.29 -4.99 117.35 114.81 1dp0 s TYR 1014Ca -0.17 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.57 1dp0 s TYR 1014Cb -0.17 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 40.92 1dp0 s TYR 1014CO 0.06 0.04 -0.10 -1.58 -1.11 0.00 0.00 175.55 172.86 1dp0 s HIS 1015N -0.83 0.85 0.11 2.71 2.46 -1.26 -1.08 115.29 118.24 1dp0 s HIS 1015Ca 0.02 -0.17 -0.14 0.00 0.47 0.00 0.00 55.06 55.24 1dp0 s HIS 1015Cb -0.08 -0.55 0.02 0.00 -0.13 0.00 0.00 32.58 31.85 1dp0 s HIS 1015CO 0.01 -0.01 0.33 1.52 -2.47 0.00 0.00 174.74 174.12 1dp0 s TYR 1016N -0.27 -0.09 -0.06 3.88 -0.85 -0.25 -5.02 117.35 114.69 1dp0 s TYR 1016Ca 0.03 -0.25 -0.03 0.00 -0.52 0.00 0.00 57.07 56.31 1dp0 s TYR 1016Cb -0.04 0.15 0.03 0.00 0.38 0.00 0.00 41.96 42.48 1dp0 s TYR 1016CO -0.00 -0.64 0.13 1.14 -1.52 0.00 0.00 175.55 174.66 1dp0 s GLN 1017N -3.72 0.09 0.03 -3.49 -2.07 -1.26 -0.14 119.66 109.11 1dp0 s GLN 1017Ca 0.03 0.30 0.06 0.00 -1.82 0.00 0.00 55.36 53.93 1dp0 s GLN 1017Cb 0.03 -0.12 -0.02 0.00 -1.09 0.00 0.00 33.01 31.80 1dp0 s GLN 1017CO -0.11 -0.13 -0.18 -0.51 -1.32 0.00 0.00 175.29 173.04 1dp0 s LEU 1018N 0.86 2.14 -0.15 2.60 1.43 -0.42 -4.25 118.68 120.89 1dp0 s LEU 1018Ca -0.07 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1dp0 s LEU 1018Cb -0.09 -0.85 -0.01 0.00 0.03 0.00 0.00 46.19 45.28 1dp0 s LEU 1018CO -0.04 0.13 -0.12 -0.69 0.23 0.00 0.00 176.35 175.86 1dp0 s VAL 1019N -0.74 2.97 -0.16 -1.59 1.01 -0.19 0.17 120.40 121.86 1dp0 s VAL 1019Ca 0.06 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 1dp0 s VAL 1019Cb -0.08 -2.27 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1dp0 s VAL 1019CO 0.01 0.51 -0.07 0.86 0.00 0.00 0.00 175.10 176.41 1dp0 s TRP 1020N 0.67 2.95 0.35 5.22 -0.11 0.15 -0.86 118.94 127.31 1dp0 s TRP 1020Ca -0.06 -0.52 -0.01 0.00 1.22 0.00 0.00 56.10 56.72 1dp0 s TRP 1020Cb -0.15 -1.95 0.00 0.00 -1.50 0.00 0.00 33.47 29.87 1dp0 s TRP 1020CO 0.02 -0.19 0.48 0.00 -4.62 0.00 0.00 176.95 172.64 1dp0 s GLN 1022N -2.96 3.35 0.00 0.00 -0.21 -1.26 -1.17 119.66 117.41 1dp0 s GLN 1022Ca 0.31 0.08 0.24 0.00 0.02 0.00 0.00 55.36 56.01 1dp0 s GLN 1022Cb -0.01 -2.37 0.19 0.00 1.00 0.00 0.00 33.01 31.83 1dp0 s GLN 1022CO 0.22 -0.33 1.26 1.63 -2.12 0.00 0.00 175.29 175.95