#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dyp n ARG 14 N 0.00 3.40 0.24 5.56 1.74 -1.26 -4.81 116.66 121.54 3dyp n ARG 14 Ca 0.00 -4.55 0.15 0.00 -0.77 0.00 0.00 57.85 52.68 3dyp n ARG 14 Cb 0.00 -2.43 0.80 0.00 -1.02 0.00 0.00 32.46 29.81 3dyp n ARG 14 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3dyp h ASP 15 N 5.45 0.00 -0.15 0.55 3.32 -1.95 -0.74 116.42 122.90 3dyp h ASP 15 Ca 0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3dyp h ASP 15 Cb 0.71 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3dyp h ASP 15 CO 1.05 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.90 3dyp n TRP 16 N -2.57 0.19 -2.34 4.55 2.14 -1.26 -3.35 117.44 114.81 3dyp n TRP 16 Ca -0.02 -0.09 -0.09 0.00 2.07 0.00 0.00 57.50 59.36 3dyp n TRP 16 Cb 0.11 0.00 0.05 0.00 -0.81 0.00 0.00 31.31 30.66 3dyp n TRP 16 CO 0.00 0.00 0.00 0.39 2.07 0.00 0.00 177.69 180.15 3dyp n GLU 17 N 0.02 2.35 -3.32 -2.67 1.02 -0.28 -0.40 120.64 117.36 3dyp n GLU 17 Ca 0.13 -3.63 -0.08 0.00 -0.02 0.00 0.00 57.16 53.57 3dyp n GLU 17 Cb 0.23 -1.75 -0.07 0.00 -0.02 0.00 0.00 31.44 29.84 3dyp n GLU 17 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3dyp s ASN 18 N -3.50 0.09 0.00 1.62 2.47 -1.21 -4.73 114.94 109.68 3dyp s ASN 18 Ca 0.39 0.18 0.17 0.00 0.42 0.00 0.00 52.86 54.02 3dyp s ASN 18 Cb 0.37 1.23 0.84 0.00 -1.45 0.00 0.00 41.25 42.24 3dyp s ASN 18 CO -0.02 -0.31 1.48 -0.81 -3.72 0.00 0.00 177.10 173.72 3dyp n PRO 19 N 5.37 0.25 0.07 0.43 -0.04 -1.26 -1.87 135.00 137.95 3dyp n PRO 19 Ca -0.02 0.12 0.12 0.00 -0.04 0.00 0.00 63.50 63.68 3dyp n PRO 19 Cb 0.50 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.68 3dyp n PRO 19 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3dyp n GLY 20 N 0.11 -1.47 3.06 0.55 0.00 -1.26 -4.31 105.19 101.87 3dyp n GLY 20 Ca 0.08 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3dyp n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dyp s VAL 21 N -3.15 2.57 -1.94 1.61 1.01 -0.78 -4.91 120.40 114.81 3dyp s VAL 21 Ca 0.07 -2.11 0.16 0.00 0.00 0.00 0.00 61.98 60.10 3dyp s VAL 21 Cb 0.13 -2.78 0.13 0.00 0.00 0.00 0.00 36.38 33.86 3dyp s VAL 21 CO 0.70 -0.51 1.00 0.35 0.00 0.00 0.00 175.10 176.63 3dyp n THR 22 N 4.39 0.01 -3.60 3.92 -2.24 -1.26 -4.80 114.28 110.70 3dyp n THR 22 Ca -0.01 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.22 3dyp n THR 22 Cb 0.42 1.32 -0.03 0.00 -2.10 0.00 0.00 70.33 69.94 3dyp n THR 22 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dyp s GLN 23 N -1.30 0.31 -0.03 -0.78 1.03 -1.26 -1.75 119.66 115.88 3dyp s GLN 23 Ca 0.18 -0.06 0.01 0.00 0.04 0.00 0.00 55.36 55.53 3dyp s GLN 23 Cb 0.13 0.14 0.02 0.00 0.03 0.00 0.00 33.01 33.34 3dyp s GLN 23 CO 0.20 -0.13 -0.03 -0.51 -2.54 0.00 0.00 175.29 172.28 3dyp s LEU 24 N -1.83 1.33 -1.02 2.60 1.43 0.18 -4.81 118.68 116.56 3dyp s LEU 24 Ca 0.08 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3dyp s LEU 24 Cb -0.01 -0.33 0.00 0.00 0.03 0.00 0.00 46.19 45.88 3dyp s LEU 24 CO -0.05 -0.06 0.00 0.59 0.23 0.00 0.00 176.35 177.06 3dyp n ASN 25 N 3.97 -4.77 -4.77 2.29 3.02 -1.26 -1.58 115.26 112.16 3dyp n ASN 25 Ca -0.25 0.24 -0.39 0.00 -0.03 0.00 0.00 54.58 54.15 3dyp n ASN 25 Cb 0.51 -3.11 -0.06 0.00 -0.61 0.00 0.00 39.78 36.51 3dyp n ASN 25 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3dyp s ARG 26 N -2.60 4.68 0.67 3.52 3.52 -1.26 -4.63 118.95 122.84 3dyp s ARG 26 Ca 0.00 1.33 -0.12 0.00 -0.13 0.00 0.00 55.73 56.81 3dyp s ARG 26 Cb 0.00 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.26 3dyp s ARG 26 CO 0.00 0.46 1.05 -0.51 -0.81 0.00 0.00 175.30 175.49 3dyp s LEU 27 N -1.46 3.21 0.75 -0.88 1.43 0.10 -5.01 118.68 116.83 3dyp s LEU 27 Ca 0.42 1.62 -0.15 0.00 -1.03 0.00 0.00 54.13 55.00 3dyp s LEU 27 Cb -0.23 -4.50 0.05 0.00 0.03 0.00 0.00 46.19 41.54 3dyp s LEU 27 CO 0.28 -1.31 1.21 0.00 0.23 0.00 0.00 176.35 176.77 3dyp s ALA 28 N -2.96 2.05 0.57 4.21 0.00 -1.26 -4.67 121.76 119.70 3dyp s ALA 28 Ca 0.58 0.90 -0.09 0.00 0.00 0.00 0.00 51.96 53.36 3dyp s ALA 28 Cb -0.14 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 3dyp s ALA 28 CO 0.51 -1.99 0.94 0.00 0.00 0.00 0.00 175.76 175.22 3dyp s ALA 29 N -1.99 3.21 0.06 0.00 0.00 -1.26 -4.98 121.76 116.80 3dyp s ALA 29 Ca 0.75 -0.27 -0.28 0.00 0.00 0.00 0.00 51.96 52.16 3dyp s ALA 29 Cb -0.30 -2.88 0.09 0.00 0.00 0.00 0.00 23.12 20.03 3dyp s ALA 29 CO 0.47 -0.58 1.10 -3.38 0.00 0.00 0.00 175.76 173.36 3dyp s HIS 30 N -3.02 -0.11 0.91 0.00 -3.43 -1.26 -4.89 115.29 103.49 3dyp s HIS 30 Ca 0.52 -0.09 -0.12 0.00 -0.80 0.00 0.00 55.06 54.57 3dyp s HIS 30 Cb -0.11 0.59 0.14 0.00 -1.43 0.00 0.00 32.58 31.77 3dyp s HIS 30 CO 0.50 -0.56 1.11 -2.14 -2.00 0.00 0.00 174.74 171.65 3dyp s PRO 31 N -2.90 1.15 0.11 -0.38 0.02 -1.11 -4.21 135.00 127.69 3dyp s PRO 31 Ca 0.12 0.50 -0.34 0.00 0.02 0.00 0.00 61.00 61.31 3dyp s PRO 31 Cb 0.01 -1.82 -0.13 0.00 0.02 0.00 0.00 34.50 32.58 3dyp s PRO 31 CO -0.01 -2.23 1.66 -2.30 -0.33 0.00 0.00 177.00 173.78 3dyp n PRO 32 N -3.83 2.21 -4.44 5.54 -0.02 -1.26 -4.99 135.00 128.21 3dyp n PRO 32 Ca 0.06 0.80 -0.26 0.00 -2.02 0.00 0.00 63.50 62.09 3dyp n PRO 32 Cb 0.57 -2.59 -0.11 0.00 -0.02 0.00 0.00 33.50 31.35 3dyp n PRO 32 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3dyp s PHE 33 N 1.64 2.31 0.00 6.00 2.99 -1.26 -4.78 117.98 124.88 3dyp s PHE 33 Ca 0.82 -0.34 0.00 0.00 0.00 0.00 0.00 56.93 57.40 3dyp s PHE 33 Cb -0.67 -1.08 0.00 0.00 0.00 0.00 0.00 43.02 41.28 3dyp s PHE 33 CO 0.40 0.60 0.03 0.00 -0.00 0.00 0.00 175.22 176.25 3dyp n ALA 34 N -0.16 0.35 -3.94 5.36 0.00 -1.26 -5.05 120.51 115.81 3dyp n ALA 34 Ca -0.09 -0.03 -0.27 0.00 0.00 0.00 0.00 53.44 53.05 3dyp n ALA 34 Cb 0.58 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 3dyp n ALA 34 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dyp n SER 35 N -0.10 -1.02 -4.77 0.00 2.88 -1.26 -4.30 113.62 105.06 3dyp n SER 35 Ca 0.00 -1.03 -0.38 0.00 -1.33 0.00 0.00 58.87 56.13 3dyp n SER 35 Cb 0.08 -2.99 -0.01 0.00 -0.75 0.00 0.00 64.21 60.54 3dyp n SER 35 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3dyp s TRP 36 N -3.90 2.84 -0.26 0.66 0.51 -0.75 -4.62 118.94 113.42 3dyp s TRP 36 Ca 0.08 1.51 0.13 0.00 -2.12 0.00 0.00 56.10 55.70 3dyp s TRP 36 Cb -0.03 -3.46 0.32 0.00 -0.81 0.00 0.00 33.47 29.49 3dyp s TRP 36 CO 0.89 -1.69 1.23 0.54 -0.51 0.00 0.00 176.95 177.42 3dyp n ARG 37 N -0.36 2.40 -3.67 4.98 5.12 -1.26 -0.57 116.66 123.31 3dyp n ARG 37 Ca 0.07 -2.39 -0.19 0.00 -1.93 0.00 0.00 57.85 53.40 3dyp n ARG 37 Cb 0.47 -1.49 -0.17 0.00 -1.16 0.00 0.00 32.46 30.11 3dyp n ARG 37 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3dyp s ASN 38 N -1.91 1.08 0.29 0.55 3.84 -1.26 -4.97 114.94 112.55 3dyp s ASN 38 Ca 0.28 0.12 -0.01 0.00 0.21 0.00 0.00 52.86 53.46 3dyp s ASN 38 Cb 0.22 -0.06 0.45 0.00 -0.55 0.00 0.00 41.25 41.32 3dyp s ASN 38 CO 0.07 -0.25 1.94 0.28 -2.79 0.00 0.00 177.10 176.34 3dyp h SER 39 N 8.42 0.96 0.05 -4.21 0.02 -1.98 -2.77 113.55 114.04 3dyp h SER 39 Ca -0.12 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 60.69 3dyp h SER 39 Cb 1.12 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3dyp h SER 39 CO 0.15 0.67 -0.41 -0.08 -1.14 0.00 0.00 176.83 176.02 3dyp h GLU 40 N 1.12 0.46 -0.39 3.45 4.57 -1.99 -0.27 114.58 121.53 3dyp h GLU 40 Ca 0.35 -0.23 -0.11 0.00 -1.18 0.00 0.00 59.36 58.19 3dyp h GLU 40 Cb 0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3dyp h GLU 40 CO -0.10 0.79 -0.20 0.93 -1.18 0.00 0.00 179.01 179.25 3dyp h GLU 41 N 0.38 0.76 -0.67 1.92 4.39 -1.89 -1.71 114.58 117.76 3dyp h GLU 41 Ca 0.03 -0.30 -0.05 0.00 0.34 0.00 0.00 59.36 59.39 3dyp h GLU 41 Cb 0.88 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.46 3dyp h GLU 41 CO 0.07 0.90 0.23 0.00 -1.16 0.00 0.00 179.01 179.05 3dyp h ALA 42 N 1.10 0.88 -0.49 3.43 0.00 -1.30 -0.59 119.26 122.29 3dyp h ALA 42 Ca 0.10 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3dyp h ALA 42 Cb 0.71 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3dyp h ALA 42 CO 0.05 0.54 0.31 -0.09 0.00 0.00 0.00 179.25 180.06 3dyp h ARG 43 N 0.97 0.61 -0.00 0.00 2.43 -0.75 -2.80 114.38 114.83 3dyp h ARG 43 Ca 0.22 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3dyp h ARG 43 Cb 0.27 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3dyp h ARG 43 CO -0.01 0.40 -0.05 0.25 -1.51 0.00 0.00 179.97 179.05 3dyp n THR 44 N -4.78 0.00 -1.47 0.20 -2.24 -0.67 -4.90 114.28 100.42 3dyp n THR 44 Ca 0.03 -0.08 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 3dyp n THR 44 Cb 0.04 -0.12 -0.04 0.00 -2.10 0.00 0.00 70.33 68.11 3dyp n THR 44 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3dyp n ASP 45 N -0.75 -4.28 -4.86 3.42 2.03 -0.35 -4.99 116.55 106.76 3dyp n ASP 45 Ca 0.18 0.24 -0.29 0.00 0.52 0.00 0.00 54.79 55.44 3dyp n ASP 45 Cb 0.24 -2.91 0.10 0.00 -0.72 0.00 0.00 41.12 37.83 3dyp n ASP 45 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3dyp s ARG 46 N -3.23 1.77 0.66 -0.67 0.52 -0.49 -5.00 118.95 112.51 3dyp s ARG 46 Ca 0.00 0.22 -0.17 0.00 -0.52 0.00 0.00 55.73 55.26 3dyp s ARG 46 Cb 0.00 -1.92 -0.00 0.00 0.52 0.00 0.00 34.95 33.55 3dyp s ARG 46 CO 0.00 -1.75 1.25 -2.14 0.02 0.00 0.00 175.30 172.68 3dyp s PRO 47 N -5.44 2.50 -0.19 3.54 0.02 -1.26 -4.78 135.00 129.39 3dyp s PRO 47 Ca 0.62 1.93 -0.04 0.00 0.02 0.00 0.00 61.00 63.53 3dyp s PRO 47 Cb -0.12 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.52 3dyp s PRO 47 CO 0.51 -1.60 -0.03 0.45 -0.33 0.00 0.00 177.00 176.00 3dyp s SER 48 N -1.62 4.62 0.02 2.53 0.15 -1.26 -4.98 113.70 113.15 3dyp s SER 48 Ca 0.79 -0.25 0.12 0.00 0.70 0.00 0.00 55.95 57.31 3dyp s SER 48 Cb -0.34 -1.78 0.51 0.00 -1.71 0.00 0.00 66.02 62.71 3dyp s SER 48 CO 0.40 0.07 1.38 0.00 1.20 0.00 0.00 173.24 176.29 3dyp n GLN 49 N 4.20 0.01 0.00 5.44 6.02 -1.26 -1.38 117.38 130.42 3dyp n GLN 49 Ca -0.17 0.32 0.14 0.00 -0.01 0.00 0.00 57.00 57.27 3dyp n GLN 49 Cb 0.52 -1.52 0.63 0.00 1.02 0.00 0.00 30.24 30.88 3dyp n GLN 49 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3dyp n GLN 50 N -1.54 0.94 -3.98 -1.09 1.13 -1.26 -4.68 117.38 106.89 3dyp n GLN 50 Ca 0.03 -0.36 -0.30 0.00 -1.94 0.00 0.00 57.00 54.42 3dyp n GLN 50 Cb 0.13 -1.49 -0.16 0.00 0.11 0.00 0.00 30.24 28.83 3dyp n GLN 50 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3dyp s LEU 51 N -2.31 2.43 0.03 1.08 2.96 -0.48 -1.07 118.68 121.33 3dyp s LEU 51 Ca 0.33 -1.01 0.07 0.00 -0.22 0.00 0.00 54.13 53.31 3dyp s LEU 51 Cb 0.20 -1.23 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 3dyp s LEU 51 CO 0.44 -0.18 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.96 3dyp s ARG 52 N 1.38 2.04 0.01 1.98 0.52 -0.30 -4.71 118.95 119.87 3dyp s ARG 52 Ca -0.03 -0.99 -0.19 0.00 -0.52 0.00 0.00 55.73 53.99 3dyp s ARG 52 Cb -0.17 -2.14 -0.06 0.00 0.52 0.00 0.00 34.95 33.10 3dyp s ARG 52 CO -0.07 0.54 0.55 0.45 0.02 0.00 0.00 175.30 176.79 3dyp s SER 53 N -1.31 6.96 -0.13 0.23 0.15 -1.26 -1.17 113.70 117.16 3dyp s SER 53 Ca 0.14 1.14 0.17 0.00 0.70 0.00 0.00 55.95 58.09 3dyp s SER 53 Cb -0.10 -2.34 0.67 0.00 -1.71 0.00 0.00 66.02 62.54 3dyp s SER 53 CO 0.04 0.18 1.59 0.18 1.20 0.00 0.00 173.24 176.43 3dyp n LEU 54 N 2.36 4.65 -4.74 3.45 4.77 0.14 -4.93 117.00 122.70 3dyp n LEU 54 Ca -0.09 -2.58 -0.35 0.00 -0.03 0.00 0.00 56.01 52.96 3dyp n LEU 54 Cb 0.51 -0.56 0.06 0.00 -2.33 0.00 0.00 43.42 41.10 3dyp n LEU 54 CO 0.42 0.76 0.83 0.20 -1.33 0.00 0.00 177.39 178.26 3dyp s ASN 55 N -1.06 4.80 0.00 -1.43 -0.87 -1.24 -4.82 114.94 110.33 3dyp s ASN 55 Ca 0.48 2.38 0.00 0.00 -1.57 0.00 0.00 52.86 54.15 3dyp s ASN 55 Cb 0.33 -2.59 0.00 0.00 -0.02 0.00 0.00 41.25 38.96 3dyp s ASN 55 CO 0.20 -1.86 0.00 0.61 -2.57 0.00 0.00 177.10 173.48 3dyp n GLY 56 N 0.43 0.56 3.66 0.66 0.00 -0.47 -5.01 105.19 105.03 3dyp n GLY 56 Ca 0.14 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 3dyp n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dyp s GLU 57 N -1.63 4.25 0.48 1.61 2.02 -1.26 -0.83 118.70 123.33 3dyp s GLU 57 Ca 0.00 1.06 0.04 0.00 0.02 0.00 0.00 54.97 56.09 3dyp s GLU 57 Cb 0.00 -3.61 -0.03 0.00 0.10 0.00 0.00 34.13 30.59 3dyp s GLU 57 CO 0.00 -0.46 0.07 -1.58 0.02 0.00 0.00 175.26 173.32 3dyp s TRP 58 N 2.61 2.08 -0.09 1.61 0.52 0.19 -4.92 118.94 120.94 3dyp s TRP 58 Ca 0.38 -0.83 -0.02 0.00 0.02 0.00 0.00 56.10 55.65 3dyp s TRP 58 Cb -0.16 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.40 3dyp s TRP 58 CO 0.09 0.19 0.00 1.03 0.02 0.00 0.00 176.95 178.29 3dyp s ARG 59 N -3.89 2.99 0.01 4.98 1.81 -0.34 -1.21 118.95 123.30 3dyp s ARG 59 Ca 0.20 -0.41 -0.01 0.00 -1.72 0.00 0.00 55.73 53.80 3dyp s ARG 59 Cb 0.03 -2.79 -0.01 0.00 -0.45 0.00 0.00 34.95 31.73 3dyp s ARG 59 CO 0.11 0.70 0.00 0.12 -0.68 0.00 0.00 175.30 175.55 3dyp s PHE 60 N -0.87 0.15 -0.05 -0.53 5.36 0.15 -0.97 117.98 121.22 3dyp s PHE 60 Ca 0.13 -0.31 -0.04 0.00 -0.96 0.00 0.00 56.93 55.76 3dyp s PHE 60 Cb -0.11 -0.11 0.01 0.00 -0.34 0.00 0.00 43.02 42.47 3dyp s PHE 60 CO 0.02 -0.14 0.12 0.00 -1.46 0.00 0.00 175.22 173.76 3dyp s ALA 61 N -0.99 -0.28 -0.10 11.12 0.00 -0.24 -0.78 121.76 130.50 3dyp s ALA 61 Ca -0.11 0.36 -0.04 0.00 0.00 0.00 0.00 51.96 52.17 3dyp s ALA 61 Cb -0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 3dyp s ALA 61 CO -0.00 -0.07 0.06 -0.46 0.00 0.00 0.00 175.76 175.29 3dyp s TRP 62 N 0.19 3.36 0.08 0.00 -0.00 -1.26 -0.74 118.94 120.57 3dyp s TRP 62 Ca -0.01 0.34 0.03 0.00 -0.00 0.00 0.00 56.10 56.47 3dyp s TRP 62 Cb -0.02 -1.85 -0.03 0.00 -0.00 0.00 0.00 33.47 31.56 3dyp s TRP 62 CO -0.01 0.59 -0.10 -0.06 -0.00 0.00 0.00 176.95 177.37 3dyp s PHE 63 N -0.95 0.99 0.11 5.86 0.40 0.11 -5.00 117.98 119.50 3dyp s PHE 63 Ca 0.14 -0.61 0.25 0.00 -0.60 0.00 0.00 56.93 56.12 3dyp s PHE 63 Cb -0.12 -0.56 0.95 0.00 0.51 0.00 0.00 43.02 43.81 3dyp s PHE 63 CO 0.03 -0.02 1.84 -1.00 0.70 0.00 0.00 175.22 176.77 3dyp h PRO 64 N 3.84 0.00 -2.48 0.24 0.13 -1.85 0.42 132.00 132.30 3dyp h PRO 64 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 3dyp h PRO 64 Cb 1.19 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 3dyp h PRO 64 CO 0.49 0.19 0.27 0.00 -0.23 0.00 0.00 178.00 178.72 3dyp s ALA 65 N -3.64 -1.71 0.41 -0.56 0.00 -1.23 -1.10 121.76 113.94 3dyp s ALA 65 Ca 0.01 0.91 0.11 0.00 0.00 0.00 0.00 51.96 52.99 3dyp s ALA 65 Cb 0.10 0.43 0.88 0.00 0.00 0.00 0.00 23.12 24.52 3dyp s ALA 65 CO 0.63 -0.60 1.96 -1.00 0.00 0.00 0.00 175.76 176.74 3dyp h PRO 66 N 2.36 0.16 0.00 0.00 0.13 -1.87 -0.15 132.00 132.63 3dyp h PRO 66 Ca -0.29 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3dyp h PRO 66 Cb 1.24 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3dyp h PRO 66 CO 0.37 0.29 0.00 0.93 -0.23 0.00 0.00 178.00 179.36 3dyp h GLU 67 N 0.15 0.00 -0.01 0.86 3.07 -1.95 -2.05 114.58 114.65 3dyp h GLU 67 Ca 0.03 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.89 3dyp h GLU 67 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3dyp h GLU 67 CO 0.02 0.00 -0.17 0.00 -1.40 0.00 0.00 179.01 177.46 3dyp n ALA 68 N -1.94 2.90 -2.61 3.43 0.00 -0.07 -4.88 120.51 117.34 3dyp n ALA 68 Ca -0.02 -0.41 -0.43 0.00 0.00 0.00 0.00 53.44 52.58 3dyp n ALA 68 Cb 0.06 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 3dyp n ALA 68 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dyp s VAL 69 N -2.33 4.60 0.22 0.00 1.01 -0.77 -4.99 120.40 118.14 3dyp s VAL 69 Ca 0.29 1.90 -0.30 0.00 0.00 0.00 0.00 61.98 63.87 3dyp s VAL 69 Cb 0.20 -4.22 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 3dyp s VAL 69 CO 0.46 -0.08 1.10 -2.16 0.00 0.00 0.00 175.10 174.42 3dyp s PRO 70 N 2.64 4.62 0.58 2.72 0.04 -1.26 -4.90 135.00 139.43 3dyp s PRO 70 Ca 0.49 1.75 0.27 0.00 0.04 0.00 0.00 61.00 63.55 3dyp s PRO 70 Cb -0.19 -3.24 1.63 0.00 0.04 0.00 0.00 34.50 32.74 3dyp s PRO 70 CO 0.14 0.15 2.12 0.93 0.04 0.00 0.00 177.00 180.38 3dyp h GLU 71 N 4.54 0.00 0.00 4.56 3.07 -1.99 0.20 114.58 124.96 3dyp h GLU 71 Ca -0.45 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3dyp h GLU 71 Cb 1.21 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3dyp h GLU 71 CO 0.70 0.00 -0.01 0.66 -1.40 0.00 0.00 179.01 178.96 3dyp h SER 72 N 0.00 0.00 -0.16 1.42 4.64 -1.92 -1.85 113.55 115.67 3dyp h SER 72 Ca 0.08 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.44 3dyp h SER 72 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3dyp h SER 72 CO -0.00 0.01 0.14 -0.25 -0.87 0.00 0.00 176.83 175.86 3dyp h TRP 73 N 0.00 0.00 -0.69 4.77 7.01 -0.76 0.96 115.95 127.25 3dyp h TRP 73 Ca -0.00 0.00 -0.06 0.00 2.11 0.00 0.00 58.89 60.94 3dyp h TRP 73 Cb 0.01 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.04 3dyp h TRP 73 CO 0.00 0.00 0.18 -0.07 -2.79 0.00 0.00 178.44 175.76 3dyp h LEU 74 N 0.00 1.02 0.03 0.65 3.38 -1.51 -3.27 115.31 115.62 3dyp h LEU 74 Ca 0.08 -0.21 -0.33 0.00 0.09 0.00 0.00 57.88 57.51 3dyp h LEU 74 Cb 0.37 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3dyp h LEU 74 CO -0.00 0.98 -1.94 1.21 0.09 0.00 0.00 178.44 178.77 3dyp n GLU 75 N -4.24 0.67 -3.63 1.13 4.07 -0.56 -3.66 120.64 114.41 3dyp n GLU 75 Ca 0.05 0.23 -0.13 0.00 -0.06 0.00 0.00 57.16 57.25 3dyp n GLU 75 Cb 0.25 -1.71 -0.06 0.00 -0.06 0.00 0.00 31.44 29.86 3dyp n GLU 75 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3dyp n ASP 77 N 0.42 0.65 -4.71 0.00 2.03 -1.26 -4.13 116.55 109.55 3dyp n ASP 77 Ca -0.18 1.17 -0.40 0.00 0.52 0.00 0.00 54.79 55.89 3dyp n ASP 77 Cb 0.60 -1.20 -0.04 0.00 -0.72 0.00 0.00 41.12 39.76 3dyp n ASP 77 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3dyp s LEU 78 N 1.10 4.31 0.43 -2.67 1.43 -1.26 -4.92 118.68 117.10 3dyp s LEU 78 Ca 0.60 1.24 0.09 0.00 -1.03 0.00 0.00 54.13 55.04 3dyp s LEU 78 Cb -0.76 -3.15 0.94 0.00 0.03 0.00 0.00 46.19 43.24 3dyp s LEU 78 CO 0.59 -0.16 2.06 1.55 0.23 0.00 0.00 176.35 180.62 3dyp h PRO 79 N 6.82 0.39 0.00 1.29 0.13 -2.02 -1.13 132.00 137.47 3dyp h PRO 79 Ca -0.40 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3dyp h PRO 79 Cb 1.19 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3dyp h PRO 79 CO 0.76 0.29 0.00 0.39 -0.23 0.00 0.00 178.00 179.20 3dyp n GLU 80 N -4.46 0.56 -1.35 0.86 4.71 -1.26 -4.84 120.64 114.85 3dyp n GLU 80 Ca 0.01 0.02 -0.30 0.00 -0.01 0.00 0.00 57.16 56.88 3dyp n GLU 80 Cb 0.09 -1.50 0.11 0.00 -1.01 0.00 0.00 31.44 29.14 3dyp n GLU 80 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3dyp s ALA 81 N -2.40 1.91 0.33 0.62 0.00 -0.43 -4.94 121.76 116.86 3dyp s ALA 81 Ca 0.32 -0.08 0.08 0.00 0.00 0.00 0.00 51.96 52.28 3dyp s ALA 81 Cb 0.19 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 3dyp s ALA 81 CO 0.40 -2.03 0.14 -0.51 0.00 0.00 0.00 175.76 173.76 3dyp s ASP 82 N -3.61 4.74 -0.24 0.00 1.01 0.04 -4.86 116.67 113.75 3dyp s ASP 82 Ca 0.62 -0.73 -0.14 0.00 0.71 0.00 0.00 52.55 53.02 3dyp s ASP 82 Cb -0.16 -0.78 -0.04 0.00 1.01 0.00 0.00 42.92 42.95 3dyp s ASP 82 CO 0.56 -0.27 0.31 -0.89 0.21 0.00 0.00 175.17 175.09 3dyp s THR 83 N -2.40 5.25 0.15 -1.27 2.01 -1.26 0.30 115.64 118.42 3dyp s THR 83 Ca 0.37 0.48 0.04 0.00 0.31 0.00 0.00 61.69 62.89 3dyp s THR 83 Cb -0.03 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 3dyp s THR 83 CO 0.23 0.25 -0.09 0.68 -0.69 0.00 0.00 174.62 175.00 3dyp s VAL 84 N 1.49 1.09 0.22 3.82 -7.23 -0.35 -4.95 120.40 114.50 3dyp s VAL 84 Ca 0.14 -2.04 -0.29 0.00 -1.81 0.00 0.00 61.98 57.97 3dyp s VAL 84 Cb -0.15 -1.87 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 3dyp s VAL 84 CO 0.08 -0.73 0.90 -0.69 -0.31 0.00 0.00 175.10 174.35 3dyp s VAL 85 N -3.38 4.14 -0.04 1.32 1.01 -1.26 -0.64 120.40 121.56 3dyp s VAL 85 Ca 0.17 1.99 0.04 0.00 0.00 0.00 0.00 61.98 64.18 3dyp s VAL 85 Cb 0.03 -4.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 3dyp s VAL 85 CO 0.01 0.51 -0.15 -0.69 0.00 0.00 0.00 175.10 174.77 3dyp s VAL 86 N -1.17 1.26 0.53 2.92 1.01 -0.01 -3.99 120.40 120.93 3dyp s VAL 86 Ca 0.40 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.58 3dyp s VAL 86 Cb -0.25 -1.09 -0.07 0.00 0.00 0.00 0.00 36.38 34.97 3dyp s VAL 86 CO 0.31 0.37 1.04 -2.16 0.00 0.00 0.00 175.10 174.66 3dyp s PRO 87 N 0.13 3.63 0.09 2.72 0.04 -1.26 -1.36 135.00 138.98 3dyp s PRO 87 Ca -0.05 1.30 -0.26 0.00 0.04 0.00 0.00 61.00 62.03 3dyp s PRO 87 Cb -0.11 -2.07 0.08 0.00 0.04 0.00 0.00 34.50 32.44 3dyp s PRO 87 CO 0.02 -0.57 0.80 -1.54 0.04 0.00 0.00 177.00 175.75 3dyp s SER 88 N -2.30 -0.39 -0.17 6.66 1.04 0.26 -4.94 113.70 113.86 3dyp s SER 88 Ca 0.66 -0.10 -0.07 0.00 0.48 0.00 0.00 55.95 56.92 3dyp s SER 88 Cb -0.16 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.41 3dyp s SER 88 CO 0.26 -0.82 0.06 0.20 0.98 0.00 0.00 173.24 173.92 3dyp s ASN 89 N -2.66 5.61 0.55 7.02 -0.87 -1.26 -3.26 114.94 120.07 3dyp s ASN 89 Ca 0.05 0.11 0.32 0.00 -1.57 0.00 0.00 52.86 51.77 3dyp s ASN 89 Cb -0.01 -1.92 1.58 0.00 -0.02 0.00 0.00 41.25 40.87 3dyp s ASN 89 CO -0.08 0.21 2.09 4.11 -2.57 0.00 0.00 177.10 180.86 3dyp h TRP 90 N 6.43 0.00 0.00 2.20 0.09 -1.58 -0.12 115.95 122.97 3dyp h TRP 90 Ca -0.39 0.00 -0.03 0.00 0.09 0.00 0.00 58.89 58.56 3dyp h TRP 90 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 30.41 3dyp h TRP 90 CO 0.58 0.08 -0.16 1.96 0.09 0.00 0.00 178.44 180.99 3dyp h GLN 91 N 0.00 0.00 0.00 0.12 7.50 -1.78 -1.24 115.11 119.71 3dyp h GLN 91 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3dyp h GLN 91 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.88 3dyp h GLN 91 CO 0.01 0.16 0.00 -1.33 -1.50 0.00 0.00 178.83 176.17 3dyp n MET 92 N -3.88 0.20 -0.05 1.46 2.81 -0.06 -0.83 117.12 116.76 3dyp n MET 92 Ca -0.02 0.29 0.12 0.00 -1.81 0.00 0.00 57.70 56.28 3dyp n MET 92 Cb 0.25 -1.79 0.16 0.00 -0.71 0.00 0.00 33.22 31.12 3dyp n MET 92 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 3dyp n HIS 93 N -2.15 0.14 -1.00 2.03 8.25 -0.51 -4.97 115.22 117.01 3dyp n HIS 93 Ca 0.04 -0.07 -0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3dyp n HIS 93 Cb 0.32 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.43 3dyp n HIS 93 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dyp n GLY 94 N 1.38 0.45 0.15 -1.41 0.00 -0.01 -4.94 105.19 100.82 3dyp n GLY 94 Ca 0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.70 3dyp n GLY 94 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3dyp h TYR 95 N 0.00 0.02 -3.21 1.61 -1.99 -1.66 -3.47 116.97 108.27 3dyp h TYR 95 Ca -0.00 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.67 3dyp h TYR 95 Cb 0.01 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.72 3dyp h TYR 95 CO 0.01 0.58 0.18 0.16 -0.00 0.00 0.00 178.16 179.09 3dyp s ASP 96 N -6.87 0.11 0.02 3.88 1.47 -1.26 -5.04 116.67 108.99 3dyp s ASP 96 Ca -0.02 -1.12 -0.11 0.00 1.18 0.00 0.00 52.55 52.48 3dyp s ASP 96 Cb 0.13 0.80 -0.06 0.00 -0.34 0.00 0.00 42.92 43.45 3dyp s ASP 96 CO 0.76 -1.56 0.37 0.00 0.68 0.00 0.00 175.17 175.42 3dyp s ALA 97 N -2.72 3.73 0.51 2.11 0.00 -1.26 -4.43 121.76 119.71 3dyp s ALA 97 Ca 0.18 -0.34 -0.19 0.00 0.00 0.00 0.00 51.96 51.60 3dyp s ALA 97 Cb -0.04 -2.28 -0.07 0.00 0.00 0.00 0.00 23.12 20.72 3dyp s ALA 97 CO 0.12 0.54 1.05 -1.25 0.00 0.00 0.00 175.76 176.22 3dyp s PRO 98 N -1.47 3.66 -0.10 0.00 0.04 -1.26 -4.99 135.00 130.89 3dyp s PRO 98 Ca 0.27 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.69 3dyp s PRO 98 Cb -0.15 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.31 3dyp s PRO 98 CO 0.15 -0.54 -0.21 0.42 0.04 0.00 0.00 177.00 176.85 3dyp s ILE 99 N -2.07 2.33 -0.55 0.56 1.01 -1.03 -4.68 121.20 116.77 3dyp s ILE 99 Ca 0.67 -0.94 -0.09 0.00 0.00 0.00 0.00 60.65 60.29 3dyp s ILE 99 Cb -0.17 -1.90 0.14 0.00 0.01 0.00 0.00 42.46 40.54 3dyp s ILE 99 CO 0.24 0.56 0.43 -0.47 0.00 0.00 0.00 174.94 175.69 3dyp s TYR 100 N 0.18 3.47 0.05 3.97 5.04 -1.26 0.15 117.35 128.95 3dyp s TYR 100 Ca -0.12 -2.02 0.09 0.00 -2.44 0.00 0.00 57.07 52.58 3dyp s TYR 100 Cb -0.16 -3.50 -0.03 0.00 0.35 0.00 0.00 41.96 38.61 3dyp s TYR 100 CO 0.07 -0.97 -0.26 -0.08 -1.34 0.00 0.00 175.55 172.97 3dyp s THR 101 N 0.96 2.19 0.00 4.34 -1.32 -1.26 -0.95 115.64 119.60 3dyp s THR 101 Ca 0.09 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.16 3dyp s THR 101 Cb -0.23 -1.86 0.00 0.00 -1.51 0.00 0.00 72.50 68.89 3dyp s THR 101 CO -0.02 0.34 0.00 -3.20 -2.21 0.00 0.00 174.62 169.53 3dyp n ASN 102 N 1.69 0.00 -0.11 8.08 2.85 -1.26 -3.97 115.26 122.54 3dyp n ASN 102 Ca -0.17 0.01 -0.23 0.00 -0.11 0.00 0.00 54.58 54.08 3dyp n ASN 102 Cb 0.52 -0.02 -0.10 0.00 1.24 0.00 0.00 39.78 41.41 3dyp n ASN 102 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 3dyp n VAL 103 N -1.24 1.53 -1.70 3.44 0.31 -1.26 -3.99 118.33 115.42 3dyp n VAL 103 Ca 0.00 -0.11 -0.44 0.00 -0.01 0.00 0.00 64.34 63.79 3dyp n VAL 103 Cb 0.00 -2.02 -0.03 0.00 -0.91 0.00 0.00 33.84 30.87 3dyp n VAL 103 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3dyp n THR 104 N -4.39 0.15 -1.56 2.52 -1.04 -1.26 -3.32 114.28 105.38 3dyp n THR 104 Ca -0.37 -0.04 -0.35 0.00 -2.04 0.00 0.00 64.05 61.25 3dyp n THR 104 Cb 0.71 -1.78 0.08 0.00 -1.82 0.00 0.00 70.33 67.53 3dyp n THR 104 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3dyp s TYR 105 N 0.88 2.04 -1.90 -1.42 1.51 -1.26 -4.86 117.35 112.34 3dyp s TYR 105 Ca 0.75 1.55 0.31 0.00 -1.01 0.00 0.00 57.07 58.68 3dyp s TYR 105 Cb -0.58 -3.58 1.77 0.00 -0.11 0.00 0.00 41.96 39.46 3dyp s TYR 105 CO 0.37 -2.77 2.16 -0.35 -1.11 0.00 0.00 175.55 173.85 3dyp n PRO 106 N -2.37 0.91 -4.24 -1.71 -0.04 -1.26 -4.76 135.00 121.53 3dyp n PRO 106 Ca 0.15 -0.06 -0.14 0.00 -0.04 0.00 0.00 63.50 63.41 3dyp n PRO 106 Cb 0.49 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.35 3dyp n PRO 106 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3dyp s ILE 107 N -2.13 0.98 0.23 0.52 -4.36 -1.26 -5.06 121.20 110.12 3dyp s ILE 107 Ca 0.43 -2.02 -0.32 0.00 -0.26 0.00 0.00 60.65 58.48 3dyp s ILE 107 Cb 0.22 -1.93 -0.13 0.00 1.25 0.00 0.00 42.46 41.86 3dyp s ILE 107 CO 0.39 -0.67 1.51 0.41 0.24 0.00 0.00 174.94 176.83 3dyp n THR 108 N -0.21 0.65 -2.51 8.37 -1.04 -1.26 -4.86 114.28 113.42 3dyp n THR 108 Ca -0.09 -0.16 -0.41 0.00 -2.04 0.00 0.00 64.05 61.34 3dyp n THR 108 Cb 0.61 -1.63 -0.03 0.00 -1.82 0.00 0.00 70.33 67.46 3dyp n THR 108 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3dyp s VAL 109 N 0.29 3.76 -0.44 12.58 1.01 -1.26 -4.79 120.40 131.56 3dyp s VAL 109 Ca 0.70 0.53 0.08 0.00 0.00 0.00 0.00 61.98 63.29 3dyp s VAL 109 Cb -0.61 -4.77 0.30 0.00 0.00 0.00 0.00 36.38 31.30 3dyp s VAL 109 CO 0.45 -1.62 0.91 -3.20 0.00 0.00 0.00 175.10 171.64 3dyp n ASN 110 N 9.43 -1.44 -4.72 3.32 5.15 -1.26 -5.11 115.26 120.63 3dyp n ASN 110 Ca 0.06 -3.34 -0.42 0.00 -0.60 0.00 0.00 54.58 50.28 3dyp n ASN 110 Cb 0.49 1.03 -0.00 0.00 -0.53 0.00 0.00 39.78 40.76 3dyp n ASN 110 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3dyp n PRO 111 N 0.74 2.24 -0.83 1.20 -0.04 -1.26 -0.48 135.00 136.56 3dyp n PRO 111 Ca 0.13 0.79 0.07 0.00 -0.04 0.00 0.00 63.50 64.44 3dyp n PRO 111 Cb 0.66 -2.41 0.38 0.00 -0.04 0.00 0.00 33.50 32.08 3dyp n PRO 111 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3dyp n PRO 112 N 0.47 4.52 -2.15 0.54 -0.04 -1.26 -5.11 135.00 131.97 3dyp n PRO 112 Ca 0.04 -3.12 -0.31 0.00 -0.04 0.00 0.00 63.50 60.08 3dyp n PRO 112 Cb 0.37 -2.20 -0.00 0.00 -0.04 0.00 0.00 33.50 31.63 3dyp n PRO 112 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3dyp s PHE 113 N -2.80 3.57 0.35 0.54 0.40 0.37 -4.45 117.98 115.96 3dyp s PHE 113 Ca 0.53 1.26 0.04 0.00 -0.60 0.00 0.00 56.93 58.15 3dyp s PHE 113 Cb 0.41 -2.67 -0.05 0.00 0.51 0.00 0.00 43.02 41.22 3dyp s PHE 113 CO 0.15 -0.53 0.08 0.14 0.70 0.00 0.00 175.22 175.76 3dyp s VAL 114 N -2.94 0.97 0.46 -0.44 -7.23 -1.26 -4.51 120.40 105.45 3dyp s VAL 114 Ca 0.55 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.47 3dyp s VAL 114 Cb -0.11 -2.63 -0.08 0.00 0.56 0.00 0.00 36.38 34.13 3dyp s VAL 114 CO 0.46 0.00 1.39 -2.84 -0.31 0.00 0.00 175.10 173.80 3dyp s PRO 115 N -3.85 3.62 0.43 4.82 0.02 -1.26 -4.90 135.00 133.89 3dyp s PRO 115 Ca 0.32 2.33 0.22 0.00 0.02 0.00 0.00 61.00 63.89 3dyp s PRO 115 Cb 0.07 -2.58 0.94 0.00 0.02 0.00 0.00 34.50 32.94 3dyp s PRO 115 CO 0.15 -0.84 1.84 1.79 -0.33 0.00 0.00 177.00 179.61 3dyp h THR 116 N 2.14 0.70 -2.16 0.99 1.35 -1.99 -3.30 112.91 110.64 3dyp h THR 116 Ca -0.51 -1.14 -0.64 0.00 -0.55 0.00 0.00 66.41 63.57 3dyp h THR 116 Cb 1.27 1.73 -0.14 0.00 -1.73 0.00 0.00 68.15 69.28 3dyp h THR 116 CO 0.60 0.25 0.94 -1.61 -0.25 0.00 0.00 175.52 175.46 3dyp s GLU 117 N -3.77 3.43 -0.33 4.72 2.02 -1.26 -4.71 118.70 118.79 3dyp s GLU 117 Ca -0.00 -1.22 0.03 0.00 0.02 0.00 0.00 54.97 53.80 3dyp s GLU 117 Cb 0.11 -4.77 0.10 0.00 0.10 0.00 0.00 34.13 29.67 3dyp s GLU 117 CO 0.65 -1.93 0.06 1.21 0.02 0.00 0.00 175.26 175.27 3dyp s ASN 118 N 3.98 4.57 -0.01 -0.19 2.47 -0.26 -4.97 114.94 120.54 3dyp s ASN 118 Ca 0.33 -2.01 -0.38 0.00 0.42 0.00 0.00 52.86 51.22 3dyp s ASN 118 Cb -0.07 -1.43 -0.17 0.00 -1.45 0.00 0.00 41.25 38.13 3dyp s ASN 118 CO -0.02 -0.39 1.38 -2.65 -3.72 0.00 0.00 177.10 171.70 3dyp n PRO 119 N 4.41 0.95 -4.89 0.43 -0.02 -1.18 -3.50 135.00 131.20 3dyp n PRO 119 Ca 0.02 0.34 -0.32 0.00 -2.02 0.00 0.00 63.50 61.52 3dyp n PRO 119 Cb 0.42 -1.97 -0.16 0.00 -0.02 0.00 0.00 33.50 31.77 3dyp n PRO 119 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3dyp s THR 120 N 1.02 2.24 -0.29 3.45 2.01 0.15 -0.35 115.64 123.87 3dyp s THR 120 Ca 0.88 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 61.87 3dyp s THR 120 Cb -1.04 -1.89 -0.01 0.00 0.01 0.00 0.00 72.50 69.57 3dyp s THR 120 CO 0.53 0.55 0.11 -0.83 -0.69 0.00 0.00 174.62 174.28 3dyp s GLY 121 N 0.58 1.81 -0.43 4.40 0.00 0.23 0.06 107.32 113.97 3dyp s GLY 121 Ca -0.12 -1.32 -0.11 0.00 0.00 0.00 0.00 44.72 43.16 3dyp s GLY 121 CO 0.04 0.63 0.29 0.00 0.00 0.00 0.00 173.10 174.06 3dyp s TYR 123 N 1.50 3.02 0.10 0.00 1.51 0.37 -1.08 117.35 122.77 3dyp s TYR 123 Ca 0.03 0.04 -0.11 0.00 -1.01 0.00 0.00 57.07 56.02 3dyp s TYR 123 Cb -0.23 -1.64 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 3dyp s TYR 123 CO 0.04 0.44 0.26 -1.54 -1.11 0.00 0.00 175.55 173.64 3dyp s SER 124 N -1.57 -0.00 -0.18 2.29 1.04 -0.15 0.02 113.70 115.16 3dyp s SER 124 Ca 0.19 -0.53 -0.17 0.00 0.48 0.00 0.00 55.95 55.92 3dyp s SER 124 Cb -0.11 0.38 0.05 0.00 0.10 0.00 0.00 66.02 66.44 3dyp s SER 124 CO 0.10 -0.76 0.49 -0.22 0.98 0.00 0.00 173.24 173.83 3dyp s LEU 125 N -2.82 0.10 -0.17 2.42 2.96 -0.65 -1.19 118.68 119.33 3dyp s LEU 125 Ca 0.04 0.99 -0.08 0.00 -0.22 0.00 0.00 54.13 54.86 3dyp s LEU 125 Cb 0.04 1.68 -0.04 0.00 0.50 0.00 0.00 46.19 48.36 3dyp s LEU 125 CO -0.11 -0.17 0.10 -0.89 -1.32 0.00 0.00 176.35 173.96 3dyp s THR 126 N 0.33 5.13 0.29 3.68 2.01 -1.26 -0.46 115.64 125.36 3dyp s THR 126 Ca -0.01 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 3dyp s THR 126 Cb -0.04 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.18 3dyp s THR 126 CO -0.00 0.49 0.52 0.72 -0.69 0.00 0.00 174.62 175.66 3dyp s PHE 127 N 0.02 0.49 0.25 4.92 -0.12 0.71 -4.93 117.98 119.32 3dyp s PHE 127 Ca 0.08 -0.85 0.01 0.00 -0.05 0.00 0.00 56.93 56.12 3dyp s PHE 127 Cb -0.12 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 3dyp s PHE 127 CO 0.00 -1.10 0.14 0.54 -0.05 0.00 0.00 175.22 174.75 3dyp s ASN 128 N -3.07 0.88 0.17 1.98 2.20 -1.26 0.89 114.94 116.73 3dyp s ASN 128 Ca 0.23 -1.45 0.07 0.00 -0.94 0.00 0.00 52.86 50.76 3dyp s ASN 128 Cb -0.01 0.33 -0.04 0.00 -2.00 0.00 0.00 41.25 39.53 3dyp s ASN 128 CO 0.12 -0.84 -0.13 0.68 -2.94 0.00 0.00 177.10 173.99 3dyp s VAL 129 N -3.86 1.53 0.37 3.54 -7.23 -1.26 -5.03 120.40 108.45 3dyp s VAL 129 Ca 0.38 -2.08 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 3dyp s VAL 129 Cb 0.06 -1.90 -0.11 0.00 0.56 0.00 0.00 36.38 34.99 3dyp s VAL 129 CO 0.15 -0.59 1.37 -0.67 -0.31 0.00 0.00 175.10 175.05 3dyp n ASP 130 N -0.15 3.17 -0.33 4.85 -0.08 -1.26 -4.85 116.55 117.89 3dyp n ASP 130 Ca -0.10 1.20 0.15 0.00 -1.51 0.00 0.00 54.79 54.53 3dyp n ASP 130 Cb 0.60 -1.55 0.35 0.00 2.34 0.00 0.00 41.12 42.86 3dyp n ASP 130 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 3dyp h GLU 131 N 2.63 0.54 0.00 -0.67 4.57 -2.00 0.75 114.58 120.39 3dyp h GLU 131 Ca -0.48 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 3dyp h GLU 131 Cb 1.27 -0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3dyp h GLU 131 CO 0.63 0.36 -0.04 0.66 -1.18 0.00 0.00 179.01 179.44 3dyp h SER 132 N 0.55 0.00 1.01 1.04 4.64 -1.97 0.16 113.55 118.99 3dyp h SER 132 Ca 0.61 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.84 3dyp h SER 132 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 3dyp h SER 132 CO -0.48 0.04 -0.42 -0.50 -0.87 0.00 0.00 176.83 174.60 3dyp h TRP 133 N 0.00 0.00 0.00 4.77 4.06 -1.08 -0.74 115.95 122.95 3dyp h TRP 133 Ca -0.00 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.78 3dyp h TRP 133 Cb 0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.21 3dyp h TRP 133 CO 0.00 0.42 -0.83 -0.07 -3.56 0.00 0.00 178.44 174.40 3dyp h LEU 134 N 0.00 0.00 0.22 -4.49 3.38 -0.87 -3.30 115.31 110.24 3dyp h LEU 134 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dyp h LEU 134 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3dyp h LEU 134 CO 0.05 0.83 -0.11 1.56 0.09 0.00 0.00 178.44 180.87 3dyp h GLN 135 N 0.00 -0.28 -3.42 1.13 4.20 -0.67 -3.48 115.11 112.57 3dyp h GLN 135 Ca -0.01 0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 3dyp h GLN 135 Cb 1.62 0.06 -0.05 0.00 0.30 0.00 0.00 27.48 29.42 3dyp h GLN 135 CO 0.11 0.03 0.07 -1.21 -0.67 0.00 0.00 178.83 177.16 3dyp s GLU 136 N -4.79 1.95 0.00 1.46 0.41 -0.34 -5.11 118.70 112.28 3dyp s GLU 136 Ca -0.14 -1.42 0.00 0.00 -0.41 0.00 0.00 54.97 53.00 3dyp s GLU 136 Cb 0.03 0.55 0.00 0.00 -1.78 0.00 0.00 34.13 32.92 3dyp s GLU 136 CO 0.59 -0.87 0.00 0.41 -0.49 0.00 0.00 175.26 174.90 3dyp n GLY 137 N -0.50 -1.05 3.49 -1.39 0.00 -1.26 -4.53 105.19 99.94 3dyp n GLY 137 Ca -0.04 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 3dyp n GLY 137 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dyp s GLN 138 N -1.48 3.72 -0.26 1.61 0.74 0.43 -4.92 119.66 119.50 3dyp s GLN 138 Ca 0.00 -0.46 -0.06 0.00 0.05 0.00 0.00 55.36 54.89 3dyp s GLN 138 Cb 0.00 -3.19 -0.01 0.00 1.10 0.00 0.00 33.01 30.91 3dyp s GLN 138 CO 0.00 0.01 0.03 0.99 -0.55 0.00 0.00 175.29 175.77 3dyp s THR 139 N 1.05 3.79 0.32 -0.34 2.01 -1.26 -0.36 115.64 120.85 3dyp s THR 139 Ca 0.03 -0.51 0.10 0.00 0.31 0.00 0.00 61.69 61.62 3dyp s THR 139 Cb -0.14 -2.83 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 3dyp s THR 139 CO 0.02 0.27 -0.05 0.00 -0.69 0.00 0.00 174.62 174.17 3dyp s ARG 140 N 1.51 1.98 -0.04 4.92 1.70 0.14 -0.07 118.95 129.10 3dyp s ARG 140 Ca 0.04 -1.75 0.03 0.00 -0.47 0.00 0.00 55.73 53.58 3dyp s ARG 140 Cb -0.16 -1.89 -0.03 0.00 -0.57 0.00 0.00 34.95 32.31 3dyp s ARG 140 CO 0.00 0.20 -0.10 -1.50 -1.08 0.00 0.00 175.30 172.82 3dyp s ILE 141 N -2.51 3.41 -0.14 4.99 2.07 0.23 -1.55 121.20 127.71 3dyp s ILE 141 Ca 0.33 -0.67 0.01 0.00 -1.41 0.00 0.00 60.65 58.91 3dyp s ILE 141 Cb -0.01 -2.40 0.02 0.00 0.13 0.00 0.00 42.46 40.20 3dyp s ILE 141 CO 0.18 0.54 -0.16 -0.63 -1.91 0.00 0.00 174.94 172.96 3dyp s ILE 142 N -0.83 1.64 -0.42 2.00 1.01 0.12 -1.13 121.20 123.59 3dyp s ILE 142 Ca 0.13 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 60.02 3dyp s ILE 142 Cb -0.11 -1.51 0.10 0.00 0.01 0.00 0.00 42.46 40.95 3dyp s ILE 142 CO 0.03 0.47 0.25 -0.36 0.00 0.00 0.00 174.94 175.32 3dyp s PHE 143 N 1.23 3.43 0.39 3.97 0.40 -0.50 -0.94 117.98 125.95 3dyp s PHE 143 Ca -0.00 -1.89 0.23 0.00 -0.60 0.00 0.00 56.93 54.66 3dyp s PHE 143 Cb -0.14 -3.12 1.23 0.00 0.51 0.00 0.00 43.02 41.50 3dyp s PHE 143 CO -0.07 -0.92 2.00 -0.44 0.70 0.00 0.00 175.22 176.50 3dyp h ASP 144 N 8.29 0.00 -1.47 1.36 3.32 -1.30 0.20 116.42 126.83 3dyp h ASP 144 Ca -0.20 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.98 3dyp h ASP 144 Cb 1.07 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.40 3dyp h ASP 144 CO 0.75 0.18 0.05 -0.83 -1.72 0.00 0.00 179.24 177.67 3dyp s GLY 145 N -4.22 -0.45 -0.07 2.75 0.00 -1.26 -3.32 107.32 100.75 3dyp s GLY 145 Ca -0.03 2.71 0.00 0.00 0.00 0.00 0.00 44.72 47.41 3dyp s GLY 145 CO 0.63 3.16 -0.06 0.14 0.00 0.00 0.00 173.10 176.98 3dyp s VAL 146 N 2.67 0.72 -0.20 1.40 1.01 -1.25 -1.87 120.40 122.88 3dyp s VAL 146 Ca -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 3dyp s VAL 146 Cb -0.09 -0.75 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 3dyp s VAL 146 CO -0.18 0.29 -0.10 0.21 0.00 0.00 0.00 175.10 175.32 3dyp s ASN 147 N 1.28 3.96 -0.02 3.32 3.84 0.28 -3.97 114.94 123.63 3dyp s ASN 147 Ca -0.05 -0.45 0.17 0.00 0.21 0.00 0.00 52.86 52.74 3dyp s ASN 147 Cb -0.14 -1.65 -0.25 0.00 -0.55 0.00 0.00 41.25 38.65 3dyp s ASN 147 CO -0.02 0.01 0.36 -1.54 -2.79 0.00 0.00 177.10 173.11 3dyp n SER 148 N 4.57 1.24 -3.47 -4.21 3.41 -0.53 -1.89 113.62 112.74 3dyp n SER 148 Ca -0.19 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.29 3dyp n SER 148 Cb 0.51 1.74 -0.03 0.00 -0.26 0.00 0.00 64.21 66.16 3dyp n SER 148 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dyp s ALA 149 N -3.13 -1.56 0.13 7.33 0.00 -1.18 -3.92 121.76 119.42 3dyp s ALA 149 Ca -0.06 0.62 -0.24 0.00 0.00 0.00 0.00 51.96 52.27 3dyp s ALA 149 Cb 0.10 0.67 0.07 0.00 0.00 0.00 0.00 23.12 23.96 3dyp s ALA 149 CO 0.68 -0.66 0.61 -0.59 0.00 0.00 0.00 175.76 175.80 3dyp s PHE 150 N -3.16 -0.56 -0.01 0.00 -0.12 -0.22 -1.41 117.98 112.50 3dyp s PHE 150 Ca -0.02 0.46 0.02 0.00 -0.05 0.00 0.00 56.93 57.34 3dyp s PHE 150 Cb -0.01 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.88 3dyp s PHE 150 CO -0.08 -0.81 -0.03 -1.01 -0.05 0.00 0.00 175.22 173.25 3dyp s HIS 151 N -3.34 3.01 -0.04 3.49 3.76 -0.46 -1.12 115.29 120.59 3dyp s HIS 151 Ca -0.01 0.04 0.05 0.00 -0.15 0.00 0.00 55.06 54.99 3dyp s HIS 151 Cb -0.01 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 3dyp s HIS 151 CO -0.09 0.43 -0.18 -1.17 -0.85 0.00 0.00 174.74 172.88 3dyp s LEU 152 N -1.44 1.95 0.09 0.89 2.96 -0.26 -0.45 118.68 122.42 3dyp s LEU 152 Ca 0.18 -0.35 0.07 0.00 -0.22 0.00 0.00 54.13 53.81 3dyp s LEU 152 Cb -0.11 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.56 3dyp s LEU 152 CO 0.08 0.17 -0.19 0.26 -1.32 0.00 0.00 176.35 175.36 3dyp s TRP 153 N -0.07 1.59 -0.04 5.38 0.51 0.18 0.19 118.94 126.67 3dyp s TRP 153 Ca -0.01 -0.43 0.01 0.00 -2.12 0.00 0.00 56.10 53.54 3dyp s TRP 153 Cb -0.11 -0.88 0.02 0.00 -0.81 0.00 0.00 33.47 31.70 3dyp s TRP 153 CO 0.02 0.15 -0.03 0.00 -0.51 0.00 0.00 176.95 176.58 3dyp n ASN 155 N 4.16 -2.61 0.00 0.00 3.02 -0.17 -0.77 115.26 118.88 3dyp n ASN 155 Ca -0.24 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.35 3dyp n ASN 155 Cb 0.51 -3.11 0.00 0.00 -0.61 0.00 0.00 39.78 36.56 3dyp n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dyp n GLY 156 N -1.64 1.86 3.65 7.41 0.00 -1.24 -5.00 105.19 110.22 3dyp n GLY 156 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 3dyp n GLY 156 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dyp s ARG 157 N -0.01 3.89 0.19 1.61 0.52 0.05 -4.94 118.95 120.26 3dyp s ARG 157 Ca 0.00 -0.34 -0.31 0.00 -0.52 0.00 0.00 55.73 54.56 3dyp s ARG 157 Cb 0.00 -3.18 -0.10 0.00 0.52 0.00 0.00 34.95 32.19 3dyp s ARG 157 CO 0.00 0.32 1.56 -0.46 0.02 0.00 0.00 175.30 176.74 3dyp s TRP 158 N 0.22 3.03 -0.15 -0.53 -0.00 -1.26 -0.93 118.94 119.31 3dyp s TRP 158 Ca 0.04 0.68 -0.14 0.00 -0.00 0.00 0.00 56.10 56.69 3dyp s TRP 158 Cb -0.12 -3.93 -0.06 0.00 -0.00 0.00 0.00 33.47 29.35 3dyp s TRP 158 CO 0.00 -3.37 -0.29 0.28 -0.00 0.00 0.00 176.95 173.58 3dyp n VAL 159 N 3.59 1.39 -3.84 5.86 0.31 0.13 -4.91 118.33 120.86 3dyp n VAL 159 Ca 0.12 0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 3dyp n VAL 159 Cb 0.38 -2.10 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 3dyp n VAL 159 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dyp n GLY 160 N 1.78 0.62 3.10 2.92 0.00 -1.14 -4.76 105.19 107.70 3dyp n GLY 160 Ca -0.21 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 3dyp n GLY 160 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dyp s TYR 161 N -3.13 0.18 0.01 1.61 5.04 -0.61 -1.10 117.35 119.34 3dyp s TYR 161 Ca 0.07 -0.44 -0.16 0.00 -2.44 0.00 0.00 57.07 54.09 3dyp s TYR 161 Cb -0.00 -0.13 0.03 0.00 0.35 0.00 0.00 41.96 42.20 3dyp s TYR 161 CO 0.00 -0.34 0.35 0.20 -1.34 0.00 0.00 175.55 174.43 3dyp s GLY 162 N -1.95 -0.20 0.30 8.97 0.00 -0.27 0.48 107.32 114.64 3dyp s GLY 162 Ca -0.07 0.31 0.03 0.00 0.00 0.00 0.00 44.72 44.99 3dyp s GLY 162 CO -0.03 0.08 0.08 1.20 0.00 0.00 0.00 173.10 174.43 3dyp s GLN 163 N -1.85 1.56 0.00 2.90 -0.21 -0.72 -1.05 119.66 120.29 3dyp s GLN 163 Ca -0.10 -1.86 0.00 0.00 0.02 0.00 0.00 55.36 53.42 3dyp s GLN 163 Cb -0.03 -0.55 0.00 0.00 1.00 0.00 0.00 33.01 33.44 3dyp s GLN 163 CO 0.02 -0.26 0.00 -3.47 -2.12 0.00 0.00 175.29 169.45 3dyp n ASP 164 N -0.63 -1.46 0.00 5.90 -0.08 -1.25 -4.91 116.55 114.11 3dyp n ASP 164 Ca -0.01 0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.33 3dyp n ASP 164 Cb 0.66 -0.73 0.32 0.00 2.34 0.00 0.00 41.12 43.71 3dyp n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3dyp n SER 165 N 0.00 0.00 0.00 1.67 7.64 -1.25 -3.34 113.62 118.34 3dyp n SER 165 Ca 0.00 -0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.84 3dyp n SER 165 Cb 0.00 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 3dyp n SER 165 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3dyp n ARG 166 N -1.20 2.28 -4.25 1.43 5.12 -1.26 -3.83 116.66 114.95 3dyp n ARG 166 Ca 0.07 -1.32 -0.17 0.00 -1.93 0.00 0.00 57.85 54.50 3dyp n ARG 166 Cb 0.08 -0.99 -0.11 0.00 -1.16 0.00 0.00 32.46 30.28 3dyp n ARG 166 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3dyp s LEU 167 N -0.82 2.44 0.37 0.55 1.43 -1.21 -4.50 118.68 116.94 3dyp s LEU 167 Ca 0.00 -0.86 -0.27 0.00 -1.03 0.00 0.00 54.13 51.97 3dyp s LEU 167 Cb 0.00 -0.51 -0.09 0.00 0.03 0.00 0.00 46.19 45.62 3dyp s LEU 167 CO 0.00 -0.19 1.24 -2.16 0.23 0.00 0.00 176.35 175.48 3dyp s PRO 168 N -2.95 4.18 -0.17 1.29 0.04 -1.21 -4.51 135.00 131.66 3dyp s PRO 168 Ca 0.11 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.19 3dyp s PRO 168 Cb -0.03 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.64 3dyp s PRO 168 CO 0.03 -0.28 -0.14 -1.12 0.04 0.00 0.00 177.00 175.53 3dyp s SER 169 N -0.80 3.70 0.02 6.66 0.01 0.70 -4.95 113.70 119.04 3dyp s SER 169 Ca 0.53 -0.48 0.09 0.00 1.31 0.00 0.00 55.95 57.40 3dyp s SER 169 Cb -0.36 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.26 3dyp s SER 169 CO 0.46 0.05 -0.26 -1.61 0.41 0.00 0.00 173.24 172.29 3dyp s GLU 170 N 1.02 1.90 0.02 12.44 2.02 -1.26 -1.42 118.70 133.42 3dyp s GLU 170 Ca -0.01 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 53.97 3dyp s GLU 170 Cb -0.15 -1.98 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 3dyp s GLU 170 CO -0.03 0.52 -0.08 -0.06 0.02 0.00 0.00 175.26 175.64 3dyp s PHE 171 N -0.73 0.69 -0.24 1.61 0.40 -0.29 0.02 117.98 119.45 3dyp s PHE 171 Ca 0.11 -0.28 -0.28 0.00 -0.60 0.00 0.00 56.93 55.87 3dyp s PHE 171 Cb -0.10 -0.42 0.01 0.00 0.51 0.00 0.00 43.02 43.02 3dyp s PHE 171 CO 0.01 -0.03 1.01 0.34 0.70 0.00 0.00 175.22 177.25 3dyp s ASP 172 N -0.82 7.05 0.00 1.36 -1.08 -1.26 -0.60 116.67 121.32 3dyp s ASP 172 Ca -0.02 1.31 0.19 0.00 -0.52 0.00 0.00 52.55 53.51 3dyp s ASP 172 Cb -0.06 -2.52 0.11 0.00 -1.46 0.00 0.00 42.92 38.99 3dyp s ASP 172 CO 0.00 -0.65 1.07 0.18 0.52 0.00 0.00 175.17 176.29 3dyp n LEU 173 N 6.29 2.41 -0.35 -1.34 4.77 0.90 -4.66 117.00 125.02 3dyp n LEU 173 Ca 0.11 -0.94 0.04 0.00 -0.03 0.00 0.00 56.01 55.19 3dyp n LEU 173 Cb 0.46 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.66 3dyp n LEU 173 CO 0.52 0.42 0.61 -1.20 -1.33 0.00 0.00 177.39 176.40 3dyp n SER 174 N 0.79 -0.41 -0.11 -1.43 7.64 -1.10 0.88 113.62 119.89 3dyp n SER 174 Ca 0.10 1.63 0.14 0.00 1.01 0.00 0.00 58.87 61.76 3dyp n SER 174 Cb 0.46 -0.46 0.78 0.00 -1.01 0.00 0.00 64.21 63.98 3dyp n SER 174 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dyp n ALA 175 N -3.61 2.65 0.27 -0.43 0.00 -1.26 -3.37 120.51 114.76 3dyp n ALA 175 Ca 0.14 -0.25 0.07 0.00 0.00 0.00 0.00 53.44 53.40 3dyp n ALA 175 Cb 0.45 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 3dyp n ALA 175 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3dyp n PHE 176 N -0.69 0.00 -1.81 0.00 3.01 0.25 -5.01 117.46 113.22 3dyp n PHE 176 Ca 0.21 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.32 3dyp n PHE 176 Cb 0.16 -0.19 0.05 0.00 -0.01 0.00 0.00 39.48 39.49 3dyp n PHE 176 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3dyp s LEU 177 N -3.45 3.52 0.11 4.37 1.43 -0.79 -4.81 118.68 119.06 3dyp s LEU 177 Ca -0.01 2.30 -0.05 0.00 -1.03 0.00 0.00 54.13 55.34 3dyp s LEU 177 Cb 0.10 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.71 3dyp s LEU 177 CO 0.59 -1.78 0.14 0.00 0.23 0.00 0.00 176.35 175.53 3dyp s ARG 178 N -3.63 0.90 0.39 1.70 1.70 -1.26 -5.07 118.95 113.66 3dyp s ARG 178 Ca 0.74 -1.19 -0.28 0.00 -0.47 0.00 0.00 55.73 54.54 3dyp s ARG 178 Cb -0.28 0.30 -0.11 0.00 -0.57 0.00 0.00 34.95 34.29 3dyp s ARG 178 CO 0.38 -0.27 1.49 0.00 -1.08 0.00 0.00 175.30 175.81 3dyp s ALA 179 N -3.95 3.54 0.00 7.88 0.00 -1.26 -4.69 121.76 123.29 3dyp s ALA 179 Ca 0.13 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3dyp s ALA 179 Cb 0.06 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.56 3dyp s ALA 179 CO -0.05 -1.09 0.00 0.41 0.00 0.00 0.00 175.76 175.03 3dyp n GLY 180 N 0.45 0.26 3.72 0.00 0.00 -1.26 -4.86 105.19 103.50 3dyp n GLY 180 Ca 0.01 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 3dyp n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dyp s GLU 181 N 0.00 4.53 0.22 1.61 2.02 -1.26 -4.43 118.70 121.40 3dyp s GLU 181 Ca 0.00 1.69 0.10 0.00 0.02 0.00 0.00 54.97 56.78 3dyp s GLU 181 Cb 0.00 -3.33 -0.05 0.00 0.10 0.00 0.00 34.13 30.85 3dyp s GLU 181 CO 0.00 -0.06 -0.20 -0.80 0.02 0.00 0.00 175.26 174.22 3dyp s ASN 182 N 0.47 3.21 -0.08 -0.19 0.01 0.26 -4.93 114.94 113.70 3dyp s ASN 182 Ca 0.53 -0.95 0.01 0.00 -0.71 0.00 0.00 52.86 51.74 3dyp s ASN 182 Cb -0.28 -0.23 0.02 0.00 0.41 0.00 0.00 41.25 41.16 3dyp s ASN 182 CO 0.32 0.01 -0.09 -0.60 -1.51 0.00 0.00 177.10 175.23 3dyp s ARG 183 N -3.17 1.43 0.06 -0.60 3.52 -1.26 -0.21 118.95 118.72 3dyp s ARG 183 Ca 0.24 -0.28 -0.05 0.00 -0.13 0.00 0.00 55.73 55.51 3dyp s ARG 183 Cb -0.05 -1.34 -0.05 0.00 -1.56 0.00 0.00 34.95 31.95 3dyp s ARG 183 CO 0.11 -0.11 0.29 -0.51 -0.81 0.00 0.00 175.30 174.27 3dyp s LEU 184 N 1.13 4.33 -0.11 -0.88 1.43 0.39 -1.00 118.68 123.96 3dyp s LEU 184 Ca -0.06 0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.54 3dyp s LEU 184 Cb -0.14 -2.94 0.03 0.00 0.03 0.00 0.00 46.19 43.17 3dyp s LEU 184 CO -0.01 0.17 -0.02 0.00 0.23 0.00 0.00 176.35 176.72 3dyp s ALA 185 N -1.46 0.97 -0.18 4.21 0.00 -0.56 -1.64 121.76 123.10 3dyp s ALA 185 Ca 0.33 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.92 3dyp s ALA 185 Cb -0.13 -0.89 0.03 0.00 0.00 0.00 0.00 23.12 22.13 3dyp s ALA 185 CO 0.21 -0.59 -0.16 0.08 0.00 0.00 0.00 175.76 175.31 3dyp s VAL 186 N 1.86 1.84 -0.45 0.00 1.01 0.10 -0.65 120.40 124.12 3dyp s VAL 186 Ca 0.04 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 60.95 3dyp s VAL 186 Cb -0.13 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.55 3dyp s VAL 186 CO -0.07 0.41 0.41 -0.32 0.00 0.00 0.00 175.10 175.53 3dyp s MET 187 N 1.36 3.01 -0.22 2.72 1.75 0.40 -0.48 119.30 127.84 3dyp s MET 187 Ca 0.03 -1.11 -0.09 0.00 -1.25 0.00 0.00 55.69 53.27 3dyp s MET 187 Cb -0.14 -4.06 -0.04 0.00 2.84 0.00 0.00 34.83 33.42 3dyp s MET 187 CO -0.11 -0.96 0.11 0.08 -0.65 0.00 0.00 175.02 173.49 3dyp s VAL 188 N 1.86 4.97 -0.18 10.11 1.01 0.63 -1.36 120.40 137.45 3dyp s VAL 188 Ca 0.07 0.04 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 3dyp s VAL 188 Cb -0.21 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 3dyp s VAL 188 CO 0.09 0.39 0.24 -0.76 0.00 0.00 0.00 175.10 175.06 3dyp s LEU 189 N 0.87 4.22 0.08 3.92 1.43 -0.50 -0.60 118.68 128.09 3dyp s LEU 189 Ca 0.05 0.40 -0.22 0.00 -1.03 0.00 0.00 54.13 53.33 3dyp s LEU 189 Cb -0.13 -2.28 -0.13 0.00 0.03 0.00 0.00 46.19 43.68 3dyp s LEU 189 CO 0.03 0.11 1.64 -0.09 0.23 0.00 0.00 176.35 178.26 3dyp h ARG 190 N 6.78 0.13 -6.45 1.70 2.43 -0.95 -1.39 114.38 116.63 3dyp h ARG 190 Ca -0.41 -0.02 -0.67 0.00 -0.81 0.00 0.00 59.98 58.08 3dyp h ARG 190 Cb 1.16 -0.02 -0.16 0.00 -0.42 0.00 0.00 29.97 30.53 3dyp h ARG 190 CO 0.75 0.22 -0.72 -1.58 -1.51 0.00 0.00 179.97 177.12 3dyp s TRP 191 N -5.67 2.80 0.38 2.20 0.52 -1.26 -3.72 118.94 114.18 3dyp s TRP 191 Ca -0.14 -0.11 -0.10 0.00 0.02 0.00 0.00 56.10 55.77 3dyp s TRP 191 Cb 0.06 -1.50 0.04 0.00 -1.15 0.00 0.00 33.47 30.92 3dyp s TRP 191 CO 0.68 0.40 0.68 -1.13 0.02 0.00 0.00 176.95 177.60 3dyp n SER 192 N 1.01 -1.94 0.29 2.95 3.41 -1.26 -4.90 113.62 113.17 3dyp n SER 192 Ca -0.14 -2.72 0.18 0.00 -0.26 0.00 0.00 58.87 55.93 3dyp n SER 192 Cb 0.52 3.34 0.84 0.00 -0.26 0.00 0.00 64.21 68.66 3dyp n SER 192 CO 0.00 0.00 0.00 -2.24 -0.16 0.00 0.00 175.04 172.64 3dyp h ASP 193 N 1.99 0.00 0.07 4.04 3.04 -0.94 -0.64 116.42 123.98 3dyp h ASP 193 Ca -0.31 0.00 -0.02 0.00 -3.24 0.00 0.00 57.03 53.46 3dyp h ASP 193 Cb 1.23 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 39.51 3dyp h ASP 193 CO 0.41 0.02 -0.07 1.23 -2.04 0.00 0.00 179.24 178.78 3dyp h GLY 194 N 1.33 0.02 2.00 7.15 0.00 -1.90 -2.39 103.07 109.27 3dyp h GLY 194 Ca -0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3dyp h GLY 194 CO 0.00 0.01 -0.05 1.76 0.00 0.00 0.00 176.54 178.26 3dyp h SER 195 N 0.01 0.00 0.43 0.19 0.02 -1.46 -0.01 113.55 112.73 3dyp h SER 195 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3dyp h SER 195 Cb 0.14 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 3dyp h SER 195 CO 0.01 0.05 -0.06 1.88 -1.14 0.00 0.00 176.83 177.57 3dyp h TYR 196 N 0.00 0.00 -0.64 3.45 -1.99 -1.57 -1.24 116.97 114.98 3dyp h TYR 196 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3dyp h TYR 196 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.83 3dyp h TYR 196 CO 0.00 0.06 0.00 1.28 -0.00 0.00 0.00 178.16 179.50 3dyp n LEU 197 N -3.38 3.77 -2.50 3.88 4.77 -0.03 -4.45 117.00 119.06 3dyp n LEU 197 Ca -0.02 -1.93 -0.19 0.00 -0.03 0.00 0.00 56.01 53.84 3dyp n LEU 197 Cb 0.21 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.89 3dyp n LEU 197 CO 0.27 0.93 0.08 -0.62 -1.33 0.00 0.00 177.39 176.72 3dyp n GLU 198 N 1.49 2.66 -0.78 3.23 1.02 -0.47 -0.13 120.64 127.67 3dyp n GLU 198 Ca 0.22 -4.03 -0.15 0.00 -0.02 0.00 0.00 57.16 53.18 3dyp n GLU 198 Cb 0.60 -1.91 0.09 0.00 -0.02 0.00 0.00 31.44 30.19 3dyp n GLU 198 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3dyp n ASP 199 N -0.39 4.38 -4.75 1.62 2.03 0.03 -4.97 116.55 114.50 3dyp n ASP 199 Ca 0.29 -2.99 -0.37 0.00 0.52 0.00 0.00 54.79 52.24 3dyp n ASP 199 Cb 0.75 -0.80 0.03 0.00 -0.72 0.00 0.00 41.12 40.39 3dyp n ASP 199 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 3dyp s GLN 200 N -1.95 3.12 -0.99 -0.67 1.11 -1.26 -4.55 119.66 114.47 3dyp s GLN 200 Ca 0.34 1.91 -0.24 0.00 0.01 0.00 0.00 55.36 57.38 3dyp s GLN 200 Cb 0.28 -2.07 -0.03 0.00 -1.01 0.00 0.00 33.01 30.18 3dyp s GLN 200 CO 0.04 -1.11 1.84 0.34 0.01 0.00 0.00 175.29 176.41 3dyp s ASP 201 N -1.42 5.46 0.09 5.90 2.15 -1.26 -4.82 116.67 122.77 3dyp s ASP 201 Ca 0.74 -1.06 -0.27 0.00 0.43 0.00 0.00 52.55 52.40 3dyp s ASP 201 Cb -0.32 -2.57 0.09 0.00 -0.30 0.00 0.00 42.92 39.82 3dyp s ASP 201 CO 0.36 -2.49 1.10 0.00 -0.17 0.00 0.00 175.17 173.97 3dyp s MET 202 N 6.42 0.89 0.45 4.34 0.23 -1.26 -5.00 119.30 125.37 3dyp s MET 202 Ca 0.65 -0.51 -0.25 0.00 -1.03 0.00 0.00 55.69 54.55 3dyp s MET 202 Cb -0.04 0.29 -0.09 0.00 -1.53 0.00 0.00 34.83 33.47 3dyp s MET 202 CO 0.00 -0.41 1.32 0.91 -2.03 0.00 0.00 175.02 174.81 3dyp n TRP 203 N -0.52 2.29 -3.43 3.16 7.02 -1.26 -4.31 117.44 120.39 3dyp n TRP 203 Ca -0.06 0.47 -0.44 0.00 -1.02 0.00 0.00 57.50 56.45 3dyp n TRP 203 Cb 0.61 -2.39 -0.09 0.00 -2.42 0.00 0.00 31.31 27.02 3dyp n TRP 203 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 3dyp s ARG 204 N -2.38 2.96 0.00 -0.99 1.81 0.12 -4.93 118.95 115.53 3dyp s ARG 204 Ca 0.63 -1.23 0.00 0.00 -1.72 0.00 0.00 55.73 53.41 3dyp s ARG 204 Cb -0.47 -4.06 0.00 0.00 -0.45 0.00 0.00 34.95 29.97 3dyp s ARG 204 CO 0.56 -0.92 0.00 -1.33 -0.68 0.00 0.00 175.30 172.94 3dyp n MET 205 N 5.17 1.54 -3.77 3.54 2.81 -1.26 -2.47 117.12 122.68 3dyp n MET 205 Ca -0.12 0.00 -0.06 0.00 -1.81 0.00 0.00 57.70 55.71 3dyp n MET 205 Cb 0.45 0.00 -0.02 0.00 -0.71 0.00 0.00 33.22 32.94 3dyp n MET 205 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3dyp s SER 206 N -0.89 -0.25 0.00 7.83 1.04 -1.26 -4.83 113.70 115.33 3dyp s SER 206 Ca 0.00 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3dyp s SER 206 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 3dyp s SER 206 CO 0.00 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.73 3dyp n GLY 207 N -0.45 0.42 3.33 7.32 0.00 -0.79 -1.30 105.19 113.73 3dyp n GLY 207 Ca -0.06 -2.24 -0.47 0.00 0.00 0.00 0.00 46.02 43.25 3dyp n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dyp s ILE 208 N -0.35 5.51 -2.06 -0.61 1.01 -1.20 -0.55 121.20 122.94 3dyp s ILE 208 Ca 0.00 -2.27 0.19 0.00 0.00 0.00 0.00 60.65 58.58 3dyp s ILE 208 Cb 0.00 -4.46 0.06 0.00 0.01 0.00 0.00 42.46 38.07 3dyp s ILE 208 CO 0.00 -1.03 1.03 2.22 0.00 0.00 0.00 174.94 177.17 3dyp n PHE 209 N 4.31 0.00 -4.52 3.97 1.16 -0.78 -0.58 117.46 121.02 3dyp n PHE 209 Ca 0.10 0.00 -0.25 0.00 -1.87 0.00 0.00 57.45 55.43 3dyp n PHE 209 Cb 0.46 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.23 3dyp n PHE 209 CO 0.00 0.00 0.00 1.03 -1.87 0.00 0.00 176.76 175.92 3dyp s ARG 210 N -1.95 1.82 0.72 3.97 0.52 -1.09 -4.42 118.95 118.51 3dyp s ARG 210 Ca 0.19 -2.06 -0.16 0.00 -0.52 0.00 0.00 55.73 53.18 3dyp s ARG 210 Cb 0.16 -0.96 -0.04 0.00 0.52 0.00 0.00 34.95 34.63 3dyp s ARG 210 CO 0.38 -0.27 0.56 -0.25 0.02 0.00 0.00 175.30 175.75 3dyp n ASP 211 N -0.94 -1.06 -4.17 0.23 8.00 -1.26 -4.33 116.55 113.02 3dyp n ASP 211 Ca -0.05 0.60 -0.27 0.00 0.71 0.00 0.00 54.79 55.78 3dyp n ASP 211 Cb 0.66 -1.23 -0.16 0.00 -0.02 0.00 0.00 41.12 40.37 3dyp n ASP 211 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dyp s VAL 212 N -1.90 1.58 0.19 2.53 1.01 -1.26 -0.99 120.40 121.56 3dyp s VAL 212 Ca 0.66 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 3dyp s VAL 212 Cb -0.35 -1.35 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3dyp s VAL 212 CO 0.57 0.45 0.31 -0.94 0.00 0.00 0.00 175.10 175.50 3dyp s SER 213 N -0.03 0.02 -0.07 3.32 1.04 -0.12 0.26 113.70 118.13 3dyp s SER 213 Ca -0.03 -0.93 0.06 0.00 0.48 0.00 0.00 55.95 55.52 3dyp s SER 213 Cb -0.12 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 3dyp s SER 213 CO 0.02 -0.94 -0.24 -0.76 0.98 0.00 0.00 173.24 172.30 3dyp s LEU 214 N -3.00 2.06 -0.08 2.42 1.43 -0.32 -0.70 118.68 120.49 3dyp s LEU 214 Ca 0.20 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3dyp s LEU 214 Cb 0.03 -1.36 0.02 0.00 0.03 0.00 0.00 46.19 44.91 3dyp s LEU 214 CO 0.03 0.22 -0.07 -0.22 0.23 0.00 0.00 176.35 176.55 3dyp s LEU 215 N -0.05 1.20 -0.45 1.79 2.96 -0.59 -1.15 118.68 122.38 3dyp s LEU 215 Ca -0.07 -0.24 -0.12 0.00 -0.22 0.00 0.00 54.13 53.48 3dyp s LEU 215 Cb -0.14 -0.70 0.08 0.00 0.50 0.00 0.00 46.19 45.92 3dyp s LEU 215 CO 0.05 -0.09 0.34 -2.28 -1.32 0.00 0.00 176.35 173.05 3dyp s HIS 216 N 1.40 3.29 0.30 5.38 5.65 -0.23 0.28 115.29 131.36 3dyp s HIS 216 Ca -0.02 -1.25 0.07 0.00 0.25 0.00 0.00 55.06 54.11 3dyp s HIS 216 Cb -0.13 -3.12 -0.03 0.00 -1.18 0.00 0.00 32.58 28.12 3dyp s HIS 216 CO -0.04 -0.84 0.26 0.15 -0.65 0.00 0.00 174.74 173.63 3dyp s LYS 217 N 1.53 2.81 0.77 2.88 -0.14 0.51 -4.85 119.74 123.26 3dyp s LYS 217 Ca 0.04 -1.20 -0.11 0.00 -1.36 0.00 0.00 55.97 53.34 3dyp s LYS 217 Cb -0.24 -2.52 0.05 0.00 -1.68 0.00 0.00 37.83 33.44 3dyp s LYS 217 CO 0.04 0.21 1.10 -2.14 -0.76 0.00 0.00 175.35 173.79 3dyp s PRO 218 N -3.95 2.33 0.21 -1.68 0.02 -1.26 -0.43 135.00 130.24 3dyp s PRO 218 Ca 0.38 0.60 0.01 0.00 0.02 0.00 0.00 61.00 62.01 3dyp s PRO 218 Cb -0.07 -1.95 0.15 0.00 0.02 0.00 0.00 34.50 32.66 3dyp s PRO 218 CO 0.26 -1.44 1.50 1.79 -0.33 0.00 0.00 177.00 178.79 3dyp h THR 219 N -0.95 1.38 -3.48 0.99 1.35 -1.91 -3.35 112.91 106.93 3dyp h THR 219 Ca -0.46 -2.04 -0.71 0.00 -0.55 0.00 0.00 66.41 62.65 3dyp h THR 219 Cb 1.26 2.03 -0.20 0.00 -1.73 0.00 0.00 68.15 69.52 3dyp h THR 219 CO 0.60 0.61 -0.28 -0.89 -0.25 0.00 0.00 175.52 175.31 3dyp s THR 220 N -3.71 5.15 0.19 6.82 2.01 -1.26 -3.36 115.64 121.47 3dyp s THR 220 Ca -0.05 -0.54 -0.06 0.00 0.31 0.00 0.00 61.69 61.35 3dyp s THR 220 Cb 0.11 -4.03 -0.02 0.00 0.01 0.00 0.00 72.50 68.57 3dyp s THR 220 CO 0.82 -0.42 0.24 0.00 -0.69 0.00 0.00 174.62 174.57 3dyp s GLN 221 N 1.96 1.22 -0.27 4.92 -2.07 0.41 -4.89 119.66 120.93 3dyp s GLN 221 Ca 0.09 -1.36 -0.29 0.00 -1.82 0.00 0.00 55.36 51.97 3dyp s GLN 221 Cb -0.19 0.34 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 3dyp s GLN 221 CO 0.12 -0.43 1.19 0.42 -1.32 0.00 0.00 175.29 175.26 3dyp s ILE 222 N -4.05 4.35 -0.34 3.63 1.01 -1.26 -1.75 121.20 122.80 3dyp s ILE 222 Ca 0.26 1.57 0.18 0.00 0.00 0.00 0.00 60.65 62.66 3dyp s ILE 222 Cb 0.04 -4.24 -0.24 0.00 0.01 0.00 0.00 42.46 38.03 3dyp s ILE 222 CO 0.06 -0.38 0.53 -1.54 0.00 0.00 0.00 174.94 173.60 3dyp n SER 223 N 7.03 0.86 -3.55 3.58 3.41 0.30 -4.92 113.62 120.34 3dyp n SER 223 Ca 0.13 -0.35 -0.07 0.00 -0.26 0.00 0.00 58.87 58.31 3dyp n SER 223 Cb 0.46 1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 65.89 3dyp n SER 223 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3dyp s ASP 224 N -3.52 -0.29 -0.23 4.04 2.15 -1.16 -4.87 116.67 112.79 3dyp s ASP 224 Ca -0.01 0.07 -0.20 0.00 0.43 0.00 0.00 52.55 52.83 3dyp s ASP 224 Cb 0.12 0.29 0.06 0.00 -0.30 0.00 0.00 42.92 43.09 3dyp s ASP 224 CO 0.74 -0.44 0.61 0.72 -0.17 0.00 0.00 175.17 176.62 3dyp s PHE 225 N -2.53 -0.71 -0.09 -5.34 -0.12 -1.26 -0.60 117.98 107.33 3dyp s PHE 225 Ca 0.05 1.68 0.03 0.00 -0.05 0.00 0.00 56.93 58.64 3dyp s PHE 225 Cb -0.01 0.27 0.00 0.00 -0.63 0.00 0.00 43.02 42.66 3dyp s PHE 225 CO -0.06 -0.35 -0.20 -1.01 -0.05 0.00 0.00 175.22 173.55 3dyp s HIS 226 N 0.51 2.25 -0.14 3.49 3.76 0.07 -4.84 115.29 120.39 3dyp s HIS 226 Ca -0.01 -0.93 -0.01 0.00 -0.15 0.00 0.00 55.06 53.96 3dyp s HIS 226 Cb -0.05 -1.53 -0.01 0.00 1.11 0.00 0.00 32.58 32.10 3dyp s HIS 226 CO -0.02 -0.40 -0.12 0.08 -0.85 0.00 0.00 174.74 173.44 3dyp s VAL 227 N 0.48 3.13 0.05 -0.90 1.01 -1.26 -1.43 120.40 121.49 3dyp s VAL 227 Ca -0.17 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.24 3dyp s VAL 227 Cb -0.17 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 3dyp s VAL 227 CO 0.06 0.52 -0.16 0.00 0.00 0.00 0.00 175.10 175.52 3dyp s ALA 228 N 0.44 1.32 -0.14 5.51 0.00 -0.13 -4.84 121.76 123.93 3dyp s ALA 228 Ca -0.09 -0.94 -0.00 0.00 0.00 0.00 0.00 51.96 50.93 3dyp s ALA 228 Cb -0.16 -0.19 0.03 0.00 0.00 0.00 0.00 23.12 22.80 3dyp s ALA 228 CO 0.05 0.25 -0.09 0.95 0.00 0.00 0.00 175.76 176.91 3dyp s THR 229 N -0.96 1.23 0.21 0.00 -4.23 -1.26 -0.32 115.64 110.30 3dyp s THR 229 Ca 0.02 -0.48 0.10 0.00 -1.18 0.00 0.00 61.69 60.15 3dyp s THR 229 Cb -0.09 -1.24 -0.04 0.00 1.34 0.00 0.00 72.50 72.47 3dyp s THR 229 CO 0.02 0.34 -0.11 -0.13 -0.54 0.00 0.00 174.62 174.20 3dyp s ARG 230 N 1.62 2.00 0.20 3.99 0.52 -0.23 -4.83 118.95 122.21 3dyp s ARG 230 Ca 0.04 -1.38 0.04 0.00 -0.52 0.00 0.00 55.73 53.91 3dyp s ARG 230 Cb -0.13 -2.08 -0.05 0.00 0.52 0.00 0.00 34.95 33.21 3dyp s ARG 230 CO -0.09 0.41 -0.03 -0.06 0.02 0.00 0.00 175.30 175.55 3dyp s PHE 231 N -1.90 1.42 0.89 -0.53 0.40 -1.26 -1.36 117.98 115.63 3dyp s PHE 231 Ca 0.26 -0.89 -0.11 0.00 -0.60 0.00 0.00 56.93 55.59 3dyp s PHE 231 Cb -0.08 -0.79 0.20 0.00 0.51 0.00 0.00 43.02 42.86 3dyp s PHE 231 CO 0.15 -0.03 1.22 0.27 0.70 0.00 0.00 175.22 177.53 3dyp n ASN 232 N -0.32 0.50 0.01 1.36 6.94 -0.36 -4.91 115.26 118.48 3dyp n ASN 232 Ca -0.07 -1.69 0.11 0.00 -0.02 0.00 0.00 54.58 52.92 3dyp n ASN 232 Cb 0.63 -0.89 0.55 0.00 -2.36 0.00 0.00 39.78 37.70 3dyp n ASN 232 CO 0.00 0.00 0.00 -2.24 -1.03 0.00 0.00 177.26 173.99 3dyp h ASP 233 N -1.37 0.25 -0.25 0.53 2.03 -2.02 -2.12 116.42 113.46 3dyp h ASP 233 Ca -0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 3dyp h ASP 233 Cb 1.19 -0.05 0.00 0.00 -0.83 0.00 0.00 39.33 39.64 3dyp h ASP 233 CO 0.32 0.16 0.00 -0.90 -1.03 0.00 0.00 179.24 177.79 3dyp n ASP 234 N -4.47 3.44 -0.95 4.15 5.68 -1.26 -4.94 116.55 118.20 3dyp n ASP 234 Ca 0.06 -2.71 -0.12 0.00 -0.50 0.00 0.00 54.79 51.52 3dyp n ASP 234 Cb 0.31 -0.43 -0.05 0.00 -1.14 0.00 0.00 41.12 39.80 3dyp n ASP 234 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3dyp n PHE 235 N -0.30 0.00 0.92 2.11 3.01 -0.80 -4.84 117.46 117.56 3dyp n PHE 235 Ca 0.17 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.76 3dyp n PHE 235 Cb 0.72 -2.43 0.29 0.00 -0.01 0.00 0.00 39.48 38.05 3dyp n PHE 235 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3dyp n SER 236 N -0.47 0.46 -3.95 4.37 3.41 -1.26 -4.44 113.62 111.75 3dyp n SER 236 Ca -0.12 -0.06 -0.12 0.00 -0.26 0.00 0.00 58.87 58.31 3dyp n SER 236 Cb 0.47 0.11 -0.13 0.00 -0.26 0.00 0.00 64.21 64.40 3dyp n SER 236 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3dyp s ARG 237 N -3.03 0.26 0.05 4.33 0.52 -1.26 0.47 118.95 120.28 3dyp s ARG 237 Ca 0.11 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 54.97 3dyp s ARG 237 Cb 0.17 -0.08 -0.03 0.00 0.52 0.00 0.00 34.95 35.53 3dyp s ARG 237 CO 0.68 0.01 -0.05 0.00 0.02 0.00 0.00 175.30 175.95 3dyp s ALA 238 N -0.72 0.50 -0.18 2.13 0.00 -0.26 -1.22 121.76 122.01 3dyp s ALA 238 Ca -0.06 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.00 3dyp s ALA 238 Cb -0.05 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.20 3dyp s ALA 238 CO -0.00 -0.15 -0.14 0.08 0.00 0.00 0.00 175.76 175.54 3dyp s VAL 239 N -2.21 2.65 -0.26 0.00 1.01 -0.47 -0.19 120.40 120.94 3dyp s VAL 239 Ca -0.05 -0.76 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 3dyp s VAL 239 Cb -0.04 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3dyp s VAL 239 CO -0.03 0.50 0.36 -0.22 0.00 0.00 0.00 175.10 175.71 3dyp s LEU 240 N 1.14 4.06 -0.15 3.92 0.20 0.62 -1.07 118.68 127.40 3dyp s LEU 240 Ca 0.01 0.31 0.00 0.00 0.69 0.00 0.00 54.13 55.14 3dyp s LEU 240 Cb -0.14 -2.41 -0.00 0.00 -0.43 0.00 0.00 46.19 43.20 3dyp s LEU 240 CO -0.05 -0.14 -0.16 -0.70 -0.29 0.00 0.00 176.35 175.01 3dyp s GLU 241 N 1.86 3.22 -0.15 1.98 2.12 0.56 -0.79 118.70 127.51 3dyp s GLU 241 Ca 0.15 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.73 3dyp s GLU 241 Cb -0.15 -2.60 0.03 0.00 0.26 0.00 0.00 34.13 31.66 3dyp s GLU 241 CO 0.09 0.05 -0.12 0.00 -0.54 0.00 0.00 175.26 174.74 3dyp s ALA 242 N 0.74 1.73 -0.14 6.30 0.00 -0.01 -0.95 121.76 129.42 3dyp s ALA 242 Ca -0.07 -0.85 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 3dyp s ALA 242 Cb -0.16 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 21.88 3dyp s ALA 242 CO 0.01 -0.46 0.47 -2.00 0.00 0.00 0.00 175.76 173.78 3dyp s GLU 243 N 1.54 4.30 -0.07 0.00 2.12 -0.51 -0.13 118.70 125.94 3dyp s GLU 243 Ca 0.04 0.41 0.04 0.00 0.36 0.00 0.00 54.97 55.82 3dyp s GLU 243 Cb -0.13 -3.47 -0.00 0.00 0.26 0.00 0.00 34.13 30.79 3dyp s GLU 243 CO -0.10 0.08 -0.20 0.08 -0.54 0.00 0.00 175.26 174.59 3dyp s VAL 244 N 0.87 1.70 0.06 3.70 1.01 0.84 -0.75 120.40 127.83 3dyp s VAL 244 Ca 0.25 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.46 3dyp s VAL 244 Cb -0.15 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 3dyp s VAL 244 CO 0.10 0.48 -0.17 -1.10 0.00 0.00 0.00 175.10 174.40 3dyp s GLN 245 N 0.20 2.02 0.28 2.72 -0.21 0.23 -1.30 119.66 123.61 3dyp s GLN 245 Ca -0.10 -1.02 0.09 0.00 0.02 0.00 0.00 55.36 54.35 3dyp s GLN 245 Cb -0.15 -2.19 -0.06 0.00 1.00 0.00 0.00 33.01 31.62 3dyp s GLN 245 CO 0.05 0.53 -0.12 0.00 -2.12 0.00 0.00 175.29 173.63 3dyp s MET 246 N -1.64 1.61 0.05 2.91 0.23 -0.30 -0.54 119.30 121.63 3dyp s MET 246 Ca 0.16 -1.79 0.06 0.00 -1.03 0.00 0.00 55.69 53.09 3dyp s MET 246 Cb -0.11 -1.45 -0.02 0.00 -1.53 0.00 0.00 34.83 31.72 3dyp s MET 246 CO 0.07 0.16 -0.18 0.00 -2.03 0.00 0.00 175.02 173.04 3dyp n GLY 248 N 1.78 -0.28 3.66 0.00 0.00 -1.21 -0.44 105.19 108.69 3dyp n GLY 248 Ca -0.18 -2.26 -0.42 0.00 0.00 0.00 0.00 46.02 43.16 3dyp n GLY 248 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dyp s GLU 249 N -0.25 4.26 0.29 1.61 2.12 -1.26 -4.99 118.70 120.48 3dyp s GLU 249 Ca 0.00 1.15 -0.29 0.00 0.36 0.00 0.00 54.97 56.18 3dyp s GLU 249 Cb 0.00 -3.62 -0.10 0.00 0.26 0.00 0.00 34.13 30.68 3dyp s GLU 249 CO 0.00 -0.50 1.16 -0.51 -0.54 0.00 0.00 175.26 174.87 3dyp s LEU 250 N 2.74 4.51 -0.03 2.70 1.43 -1.26 -4.98 118.68 123.79 3dyp s LEU 250 Ca 0.40 2.38 -0.03 0.00 -1.03 0.00 0.00 54.13 55.84 3dyp s LEU 250 Cb -0.16 -3.63 0.01 0.00 0.03 0.00 0.00 46.19 42.44 3dyp s LEU 250 CO 0.09 -0.26 0.09 -0.13 0.23 0.00 0.00 176.35 176.37 3dyp s ARG 251 N -1.44 0.15 0.62 1.70 1.81 -1.26 -5.04 118.95 115.48 3dyp s ARG 251 Ca 0.46 0.06 0.36 0.00 -1.72 0.00 0.00 55.73 54.90 3dyp s ARG 251 Cb -0.34 0.07 2.05 0.00 -0.45 0.00 0.00 34.95 36.27 3dyp s ARG 251 CO 0.44 -0.02 2.29 -0.44 -0.68 0.00 0.00 175.30 176.88 3dyp h ASP 252 N 5.82 0.00 0.37 0.23 3.32 -2.01 -0.91 116.42 123.23 3dyp h ASP 252 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3dyp h ASP 252 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3dyp h ASP 252 CO 0.44 0.01 -0.06 0.00 -1.72 0.00 0.00 179.24 177.91 3dyp n TYR 253 N -3.48 0.00 -2.62 4.55 0.18 -1.26 -4.87 117.16 109.66 3dyp n TYR 253 Ca -0.03 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.41 3dyp n TYR 253 Cb 0.10 -0.19 -0.04 0.00 -0.38 0.00 0.00 39.34 38.83 3dyp n TYR 253 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 3dyp s LEU 254 N -2.44 3.89 0.13 -3.48 1.43 -0.35 -0.82 118.68 117.04 3dyp s LEU 254 Ca 0.31 1.87 -0.01 0.00 -1.03 0.00 0.00 54.13 55.27 3dyp s LEU 254 Cb 0.20 -4.53 -0.04 0.00 0.03 0.00 0.00 46.19 41.85 3dyp s LEU 254 CO 0.46 -0.65 0.05 -0.13 0.23 0.00 0.00 176.35 176.30 3dyp s ARG 255 N -3.17 0.92 -0.03 1.70 1.81 0.58 -4.09 118.95 116.66 3dyp s ARG 255 Ca 0.65 -1.43 0.05 0.00 -1.72 0.00 0.00 55.73 53.28 3dyp s ARG 255 Cb -0.15 0.22 -0.01 0.00 -0.45 0.00 0.00 34.95 34.56 3dyp s ARG 255 CO 0.18 -0.24 -0.17 0.08 -0.68 0.00 0.00 175.30 174.47 3dyp s VAL 256 N -4.02 1.38 -0.05 3.52 1.01 -0.24 -1.17 120.40 120.83 3dyp s VAL 256 Ca 0.23 -0.71 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3dyp s VAL 256 Cb 0.07 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 3dyp s VAL 256 CO 0.01 0.40 -0.20 -0.89 0.00 0.00 0.00 175.10 174.42 3dyp s THR 257 N -0.13 1.66 -0.13 3.92 2.01 -0.33 -1.20 115.64 121.44 3dyp s THR 257 Ca 0.00 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.19 3dyp s THR 257 Cb -0.09 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.00 3dyp s THR 257 CO 0.01 0.47 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.51 3dyp s VAL 258 N -0.01 2.26 0.03 3.82 1.01 0.21 -1.07 120.40 126.65 3dyp s VAL 258 Ca -0.05 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.08 3dyp s VAL 258 Cb -0.13 -1.90 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 3dyp s VAL 258 CO 0.03 0.55 -0.23 -0.44 0.00 0.00 0.00 175.10 175.01 3dyp s SER 259 N 0.59 2.72 -0.13 3.32 0.01 -0.31 -0.93 113.70 118.97 3dyp s SER 259 Ca -0.12 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.64 3dyp s SER 259 Cb -0.16 -0.25 -0.01 0.00 0.21 0.00 0.00 66.02 65.80 3dyp s SER 259 CO 0.03 0.22 -0.13 -0.22 0.41 0.00 0.00 173.24 173.55 3dyp s LEU 260 N -1.00 2.68 -0.02 2.44 2.96 0.12 -1.00 118.68 124.86 3dyp s LEU 260 Ca 0.09 -0.35 0.08 0.00 -0.22 0.00 0.00 54.13 53.73 3dyp s LEU 260 Cb -0.09 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3dyp s LEU 260 CO 0.01 0.15 -0.25 0.26 -1.32 0.00 0.00 176.35 175.21 3dyp s TRP 261 N 0.41 2.37 -0.46 5.38 0.52 0.82 0.31 118.94 128.29 3dyp s TRP 261 Ca -0.10 -0.41 -0.02 0.00 0.02 0.00 0.00 56.10 55.60 3dyp s TRP 261 Cb -0.16 -1.51 0.12 0.00 -1.15 0.00 0.00 33.47 30.78 3dyp s TRP 261 CO 0.05 -0.00 0.25 -1.14 0.02 0.00 0.00 176.95 176.13 3dyp s GLN 262 N -0.66 2.09 6.22 4.98 0.74 0.54 -1.28 119.66 132.28 3dyp s GLN 262 Ca 0.10 -2.07 0.00 0.00 0.05 0.00 0.00 55.36 53.45 3dyp s GLN 262 Cb -0.10 -3.56 0.00 0.00 1.10 0.00 0.00 33.01 30.45 3dyp s GLN 262 CO -0.01 -1.09 0.00 0.41 -0.55 0.00 0.00 175.29 174.06 3dyp n GLY 263 N 4.17 2.57 0.38 2.59 0.00 -1.26 -1.40 105.19 112.23 3dyp n GLY 263 Ca 0.02 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.70 3dyp n GLY 263 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dyp n GLU 264 N 13.55 1.49 -3.99 1.61 1.02 -1.26 -4.79 120.64 128.27 3dyp n GLU 264 Ca 0.00 -0.75 -0.35 0.00 -0.02 0.00 0.00 57.16 56.04 3dyp n GLU 264 Cb 0.00 -1.26 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 3dyp n GLU 264 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3dyp s THR 265 N -1.78 4.52 -0.25 2.62 2.01 -0.50 -5.06 115.64 117.21 3dyp s THR 265 Ca 0.22 -0.12 -0.29 0.00 0.31 0.00 0.00 61.69 61.81 3dyp s THR 265 Cb 0.11 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.58 3dyp s THR 265 CO 0.17 0.42 1.07 -1.58 -0.69 0.00 0.00 174.62 174.01 3dyp s GLN 266 N 0.76 4.19 -0.01 4.92 0.74 -1.26 -0.34 119.66 128.66 3dyp s GLN 266 Ca 0.03 1.29 0.20 0.00 0.05 0.00 0.00 55.36 56.93 3dyp s GLN 266 Cb -0.14 -3.68 -0.22 0.00 1.10 0.00 0.00 33.01 30.07 3dyp s GLN 266 CO 0.02 -0.73 0.56 1.33 -0.55 0.00 0.00 175.29 175.92 3dyp n VAL 267 N 5.51 0.65 -3.46 1.34 0.24 0.15 -4.95 118.33 117.81 3dyp n VAL 267 Ca 0.12 -0.63 -0.11 0.00 -2.04 0.00 0.00 64.34 61.68 3dyp n VAL 267 Cb 0.46 -0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 32.49 3dyp n VAL 267 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3dyp s ALA 268 N -3.15 -1.71 0.10 2.33 0.00 -1.10 -5.00 121.76 113.23 3dyp s ALA 268 Ca -0.06 0.80 -0.22 0.00 0.00 0.00 0.00 51.96 52.48 3dyp s ALA 268 Cb 0.10 0.57 0.06 0.00 0.00 0.00 0.00 23.12 23.85 3dyp s ALA 268 CO 0.85 -0.68 0.53 0.45 0.00 0.00 0.00 175.76 176.91 3dyp s SER 269 N -2.43 -0.45 -0.16 0.00 0.15 -1.26 0.16 113.70 109.71 3dyp s SER 269 Ca 0.01 0.04 -0.14 0.00 0.70 0.00 0.00 55.95 56.55 3dyp s SER 269 Cb -0.01 0.53 0.04 0.00 -1.71 0.00 0.00 66.02 64.87 3dyp s SER 269 CO -0.09 -0.83 0.41 -0.83 1.20 0.00 0.00 173.24 173.11 3dyp s GLY 270 N -2.38 -0.31 0.03 9.45 0.00 -0.10 -4.90 107.32 109.11 3dyp s GLY 270 Ca -0.02 1.17 0.05 0.00 0.00 0.00 0.00 44.72 45.92 3dyp s GLY 270 CO -0.07 1.02 -0.14 -1.59 0.00 0.00 0.00 173.10 172.32 3dyp s THR 271 N 0.24 1.10 0.13 0.90 2.01 -1.26 -0.62 115.64 118.14 3dyp s THR 271 Ca -0.00 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 60.87 3dyp s THR 271 Cb -0.03 -0.98 0.07 0.00 0.01 0.00 0.00 72.50 71.58 3dyp s THR 271 CO 0.00 0.08 0.64 0.00 -0.69 0.00 0.00 174.62 174.65 3dyp s ALA 272 N -0.71 -1.63 0.78 7.40 0.00 -0.34 -4.99 121.76 122.26 3dyp s ALA 272 Ca 0.02 0.59 -0.11 0.00 0.00 0.00 0.00 51.96 52.46 3dyp s ALA 272 Cb -0.07 0.79 0.06 0.00 0.00 0.00 0.00 23.12 23.90 3dyp s ALA 272 CO 0.01 -0.74 1.15 -1.25 0.00 0.00 0.00 175.76 174.92 3dyp s PRO 273 N -3.55 2.20 0.65 0.00 0.04 -1.26 -1.08 135.00 132.00 3dyp s PRO 273 Ca 0.01 0.17 -0.14 0.00 0.04 0.00 0.00 61.00 61.07 3dyp s PRO 273 Cb -0.01 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 3dyp s PRO 273 CO -0.11 -1.43 1.08 -0.06 0.04 0.00 0.00 177.00 176.52 3dyp s PHE 274 N -3.50 2.81 0.00 0.56 0.40 -1.26 -4.84 117.98 112.15 3dyp s PHE 274 Ca 0.61 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 58.46 3dyp s PHE 274 Cb -0.11 -3.06 0.00 0.00 0.51 0.00 0.00 43.02 40.36 3dyp s PHE 274 CO 0.49 -1.44 0.00 0.41 0.70 0.00 0.00 175.22 175.39 3dyp n GLY 275 N -0.93 2.30 3.87 4.36 0.00 0.50 -4.98 105.19 110.31 3dyp n GLY 275 Ca 0.09 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3dyp n GLY 275 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dyp s GLY 276 N 0.00 1.64 0.86 -0.02 0.00 -0.47 -4.83 107.32 104.49 3dyp s GLY 276 Ca 0.00 -0.79 -0.10 0.00 0.00 0.00 0.00 44.72 43.83 3dyp s GLY 276 CO 0.00 -0.19 1.12 -1.83 0.00 0.00 0.00 173.10 172.20 3dyp s GLU 277 N -5.60 1.47 0.22 2.90 -1.05 -1.26 -4.49 118.70 110.88 3dyp s GLU 277 Ca 0.66 1.39 -0.31 0.00 -0.15 0.00 0.00 54.97 56.56 3dyp s GLU 277 Cb -0.10 -1.79 -0.10 0.00 -0.44 0.00 0.00 34.13 31.70 3dyp s GLU 277 CO 0.51 -2.26 1.54 0.42 0.95 0.00 0.00 175.26 176.42 3dyp s ILE 278 N -2.75 2.51 -0.02 1.83 1.01 -1.26 -4.27 121.20 118.25 3dyp s ILE 278 Ca 0.65 0.39 0.06 0.00 0.00 0.00 0.00 60.65 61.75 3dyp s ILE 278 Cb -0.21 -3.25 -0.09 0.00 0.01 0.00 0.00 42.46 38.93 3dyp s ILE 278 CO 0.57 0.05 0.11 2.30 0.00 0.00 0.00 174.94 177.97 3dyp n ILE 279 N 3.13 0.07 -3.16 2.92 -5.35 0.72 -4.90 119.36 112.80 3dyp n ILE 279 Ca 0.11 -0.15 -0.01 0.00 -0.27 0.00 0.00 62.75 62.42 3dyp n ILE 279 Cb 0.39 0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 3dyp n ILE 279 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3dyp n ASP 280 N -1.80 -0.33 0.33 7.28 5.68 -0.86 -5.01 116.55 121.84 3dyp n ASP 280 Ca -0.03 -1.24 0.18 0.00 -0.50 0.00 0.00 54.79 53.21 3dyp n ASP 280 Cb 0.26 0.54 0.98 0.00 -1.14 0.00 0.00 41.12 41.76 3dyp n ASP 280 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3dyp h GLU 281 N 0.00 0.00 -0.55 0.11 3.07 -2.04 -1.03 114.58 114.13 3dyp h GLU 281 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3dyp h GLU 281 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3dyp h GLU 281 CO 0.06 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.21 3dyp n ARG 282 N -2.95 2.58 0.00 2.33 5.12 -1.26 -5.07 116.66 117.41 3dyp n ARG 282 Ca -0.02 -2.43 0.00 0.00 -1.93 0.00 0.00 57.85 53.47 3dyp n ARG 282 Cb 0.25 -1.54 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 3dyp n ARG 282 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3dyp n GLY 283 N 1.58 0.45 0.02 -0.13 0.00 -0.39 -5.05 105.19 101.66 3dyp n GLY 283 Ca 0.22 -1.79 -0.00 0.00 0.00 0.00 0.00 46.02 44.45 3dyp n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dyp n GLY 284 N 0.00 4.07 3.51 -0.02 0.00 -1.26 -0.20 105.19 111.29 3dyp n GLY 284 Ca 0.00 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 3dyp n GLY 284 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dyp s TYR 285 N -1.75 2.85 -0.10 1.61 1.51 -1.26 -4.91 117.35 115.30 3dyp s TYR 285 Ca 0.00 -0.08 0.30 0.00 -1.01 0.00 0.00 57.07 56.28 3dyp s TYR 285 Cb 0.00 -3.96 1.25 0.00 -0.11 0.00 0.00 41.96 39.14 3dyp s TYR 285 CO 0.00 -1.27 1.89 0.00 -1.11 0.00 0.00 175.55 175.06 3dyp h ALA 286 N 9.23 1.00 -0.61 3.71 0.00 -1.95 -1.21 119.26 129.43 3dyp h ALA 286 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3dyp h ALA 286 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3dyp h ALA 286 CO 1.06 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.91 3dyp n ASP 287 N -2.78 5.41 -4.17 0.00 5.75 -1.26 -3.43 116.55 116.08 3dyp n ASP 287 Ca 0.01 -2.74 -0.10 0.00 -0.01 0.00 0.00 54.79 51.94 3dyp n ASP 287 Cb 0.27 -0.65 -0.10 0.00 -1.03 0.00 0.00 41.12 39.61 3dyp n ASP 287 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3dyp s ARG 288 N -2.41 0.89 -0.02 0.11 0.52 -1.11 -1.15 118.95 115.79 3dyp s ARG 288 Ca 0.54 -1.40 -0.22 0.00 -0.52 0.00 0.00 55.73 54.14 3dyp s ARG 288 Cb 0.39 0.01 0.04 0.00 0.52 0.00 0.00 34.95 35.91 3dyp s ARG 288 CO 0.20 -0.14 0.47 0.54 0.02 0.00 0.00 175.30 176.38 3dyp s VAL 289 N -3.83 0.03 -0.11 3.52 0.11 -0.42 -0.37 120.40 119.34 3dyp s VAL 289 Ca 0.18 -0.29 0.03 0.00 -2.93 0.00 0.00 61.98 58.97 3dyp s VAL 289 Cb 0.07 -0.81 0.01 0.00 -1.53 0.00 0.00 36.38 34.11 3dyp s VAL 289 CO -0.02 -0.16 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.50 3dyp s THR 290 N -1.47 1.88 0.03 5.04 2.01 -1.26 -0.11 115.64 121.76 3dyp s THR 290 Ca -0.11 -0.90 0.01 0.00 0.31 0.00 0.00 61.69 61.00 3dyp s THR 290 Cb -0.03 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3dyp s THR 290 CO 0.05 0.52 0.06 -0.76 -0.69 0.00 0.00 174.62 173.80 3dyp s LEU 291 N 0.59 3.75 -0.09 4.42 2.01 0.81 -4.92 118.68 125.25 3dyp s LEU 291 Ca -0.14 0.04 0.01 0.00 0.01 0.00 0.00 54.13 54.05 3dyp s LEU 291 Cb -0.17 -2.28 0.02 0.00 0.01 0.00 0.00 46.19 43.78 3dyp s LEU 291 CO 0.04 0.24 -0.11 -0.13 1.01 0.00 0.00 176.35 177.40 3dyp s ARG 292 N -1.94 1.67 -0.09 1.70 0.52 -1.26 -0.83 118.95 118.71 3dyp s ARG 292 Ca 0.24 -0.36 0.04 0.00 -0.52 0.00 0.00 55.73 55.13 3dyp s ARG 292 Cb -0.12 -1.51 -0.00 0.00 0.52 0.00 0.00 34.95 33.83 3dyp s ARG 292 CO 0.16 -0.10 -0.24 -0.51 0.02 0.00 0.00 175.30 174.63 3dyp s LEU 293 N 1.10 2.12 -0.04 2.53 1.02 0.03 -4.84 118.68 120.61 3dyp s LEU 293 Ca -0.06 -0.54 -0.19 0.00 0.02 0.00 0.00 54.13 53.36 3dyp s LEU 293 Cb -0.14 -1.41 -0.05 0.00 0.02 0.00 0.00 46.19 44.60 3dyp s LEU 293 CO -0.02 0.18 0.54 0.20 0.02 0.00 0.00 176.35 177.27 3dyp s ASN 294 N 0.25 6.86 -0.11 2.29 -0.87 -1.26 -0.27 114.94 121.81 3dyp s ASN 294 Ca -0.16 1.02 -0.00 0.00 -1.57 0.00 0.00 52.86 52.15 3dyp s ASN 294 Cb -0.17 -2.33 0.02 0.00 -0.02 0.00 0.00 41.25 38.76 3dyp s ASN 294 CO 0.08 0.09 -0.08 -0.69 -2.57 0.00 0.00 177.10 173.92 3dyp s VAL 295 N 0.02 1.05 0.12 1.60 1.01 0.73 -4.85 120.40 120.06 3dyp s VAL 295 Ca 0.29 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 3dyp s VAL 295 Cb -0.17 -1.06 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 3dyp s VAL 295 CO 0.14 0.37 0.67 -1.61 0.00 0.00 0.00 175.10 174.67 3dyp s GLU 296 N 1.66 4.38 -1.34 2.72 0.41 -1.26 -1.11 118.70 124.16 3dyp s GLU 296 Ca 0.04 0.94 -0.22 0.00 -0.41 0.00 0.00 54.97 55.33 3dyp s GLU 296 Cb -0.13 -3.25 0.03 0.00 -1.78 0.00 0.00 34.13 29.00 3dyp s GLU 296 CO -0.08 0.61 0.42 0.09 -0.49 0.00 0.00 175.26 175.81 3dyp n ASN 297 N 1.67 -2.17 -4.76 -0.19 4.13 0.18 -4.86 115.26 109.25 3dyp n ASN 297 Ca -0.08 -1.30 -0.37 0.00 1.68 0.00 0.00 54.58 54.51 3dyp n ASN 297 Cb 0.50 -1.63 0.03 0.00 -1.54 0.00 0.00 39.78 37.13 3dyp n ASN 297 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 3dyp s PRO 298 N -7.44 3.21 -0.21 3.52 0.04 -1.26 -4.95 135.00 127.90 3dyp s PRO 298 Ca 0.31 1.93 -0.29 0.00 0.04 0.00 0.00 61.00 62.99 3dyp s PRO 298 Cb -0.17 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3dyp s PRO 298 CO 0.98 -1.05 1.14 0.15 0.04 0.00 0.00 177.00 178.27 3dyp s LYS 299 N -3.06 4.22 0.23 4.56 1.02 -1.26 -5.00 119.74 120.46 3dyp s LYS 299 Ca 0.72 1.45 -0.17 0.00 0.02 0.00 0.00 55.97 57.99 3dyp s LYS 299 Cb -0.33 -3.70 -0.08 0.00 -0.52 0.00 0.00 37.83 33.20 3dyp s LYS 299 CO 0.38 -0.70 0.69 -0.51 -0.92 0.00 0.00 175.35 174.29 3dyp s LEU 300 N 3.39 4.27 -0.05 3.17 1.43 -1.26 -4.44 118.68 125.18 3dyp s LEU 300 Ca 0.49 1.32 -0.12 0.00 -1.03 0.00 0.00 54.13 54.78 3dyp s LEU 300 Cb -0.17 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.34 3dyp s LEU 300 CO 0.10 -0.02 0.31 0.86 0.23 0.00 0.00 176.35 177.84 3dyp s TRP 301 N -1.63 3.66 0.21 0.29 -0.00 -0.23 -3.94 118.94 117.31 3dyp s TRP 301 Ca 0.45 0.81 -0.19 0.00 -0.00 0.00 0.00 56.10 57.16 3dyp s TRP 301 Cb -0.15 -2.18 0.03 0.00 -0.00 0.00 0.00 33.47 31.17 3dyp s TRP 301 CO 0.20 0.64 0.58 -1.54 -0.00 0.00 0.00 176.95 176.83 3dyp s SER 302 N -0.91 -0.30 0.45 5.86 1.04 -0.90 -4.60 113.70 114.34 3dyp s SER 302 Ca 0.20 -0.46 0.14 0.00 0.48 0.00 0.00 55.95 56.31 3dyp s SER 302 Cb -0.15 0.62 1.02 0.00 0.10 0.00 0.00 66.02 67.61 3dyp s SER 302 CO 0.09 -1.12 2.01 0.00 0.98 0.00 0.00 173.24 175.21 3dyp h ALA 303 N 2.12 1.73 -0.46 5.32 0.00 -1.91 -1.97 119.26 124.09 3dyp h ALA 303 Ca -0.27 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.41 3dyp h ALA 303 Cb 1.27 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3dyp h ALA 303 CO 0.34 0.20 -0.07 0.93 0.00 0.00 0.00 179.25 180.65 3dyp h GLU 304 N 0.05 0.86 -2.45 0.00 5.08 -1.93 -3.40 114.58 112.79 3dyp h GLU 304 Ca 0.01 -0.31 -0.53 0.00 -1.00 0.00 0.00 59.36 57.53 3dyp h GLU 304 Cb 0.25 -0.06 -0.37 0.00 0.50 0.00 0.00 28.75 29.07 3dyp h GLU 304 CO 0.02 0.94 -0.81 0.42 -1.00 0.00 0.00 179.01 178.58 3dyp s ILE 305 N -4.88 0.03 -1.27 3.13 1.01 -1.08 -4.97 121.20 113.18 3dyp s ILE 305 Ca -0.12 -1.54 -0.08 0.00 0.00 0.00 0.00 60.65 58.90 3dyp s ILE 305 Cb 0.11 -1.01 -0.07 0.00 0.01 0.00 0.00 42.46 41.50 3dyp s ILE 305 CO 0.83 -0.90 2.53 -0.81 0.00 0.00 0.00 174.94 176.58 3dyp n PRO 306 N 4.10 2.88 -1.90 2.79 -0.04 -0.76 -2.13 135.00 139.94 3dyp n PRO 306 Ca 0.12 -1.84 -0.42 0.00 -0.04 0.00 0.00 63.50 61.32 3dyp n PRO 306 Cb 0.39 -2.64 -0.02 0.00 -0.04 0.00 0.00 33.50 31.19 3dyp n PRO 306 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3dyp s ASN 307 N 2.82 6.53 0.07 3.54 0.01 -1.25 -4.88 114.94 121.78 3dyp s ASN 307 Ca 0.55 2.76 0.04 0.00 -0.71 0.00 0.00 52.86 55.50 3dyp s ASN 307 Cb 0.14 -2.62 -0.03 0.00 0.41 0.00 0.00 41.25 39.15 3dyp s ASN 307 CO -0.05 -0.82 -0.12 -0.76 -1.51 0.00 0.00 177.10 173.84 3dyp s LEU 308 N 0.05 2.29 0.46 0.60 1.43 -1.26 -4.16 118.68 118.10 3dyp s LEU 308 Ca 0.64 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 53.16 3dyp s LEU 308 Cb -0.45 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 3dyp s LEU 308 CO 0.41 -0.13 0.12 -0.31 0.23 0.00 0.00 176.35 176.67 3dyp s TYR 309 N -1.47 2.22 -0.13 0.29 1.51 0.62 -4.74 117.35 115.66 3dyp s TYR 309 Ca -0.02 -0.75 0.03 0.00 -1.01 0.00 0.00 57.07 55.31 3dyp s TYR 309 Cb -0.09 -1.81 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 3dyp s TYR 309 CO 0.02 0.16 -0.21 0.50 -1.11 0.00 0.00 175.55 174.91 3dyp s ARG 310 N -3.91 2.84 -0.17 -0.62 6.06 -0.40 0.25 118.95 123.00 3dyp s ARG 310 Ca 0.28 -0.79 -0.05 0.00 -2.50 0.00 0.00 55.73 52.67 3dyp s ARG 310 Cb 0.04 -2.28 -0.03 0.00 0.06 0.00 0.00 34.95 32.73 3dyp s ARG 310 CO 0.15 0.01 0.01 0.00 -2.50 0.00 0.00 175.30 172.97 3dyp s ALA 311 N 0.76 3.19 -0.15 6.12 0.00 -0.06 -0.13 121.76 131.49 3dyp s ALA 311 Ca -0.09 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3dyp s ALA 311 Cb -0.16 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.24 3dyp s ALA 311 CO 0.00 0.21 -0.16 0.08 0.00 0.00 0.00 175.76 175.89 3dyp s VAL 312 N 0.34 2.64 -0.33 0.00 1.01 -0.17 -1.60 120.40 122.29 3dyp s VAL 312 Ca -0.01 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 3dyp s VAL 312 Cb -0.13 -2.11 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3dyp s VAL 312 CO 0.02 0.52 0.12 -0.69 0.00 0.00 0.00 175.10 175.07 3dyp s VAL 313 N 0.73 4.07 -0.12 2.92 1.01 0.69 -1.16 120.40 128.54 3dyp s VAL 313 Ca -0.07 -0.87 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 3dyp s VAL 313 Cb -0.16 -3.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 3dyp s VAL 313 CO 0.01 -0.08 -0.11 -1.61 0.00 0.00 0.00 175.10 173.31 3dyp s GLU 314 N 1.48 3.28 -0.32 2.72 2.02 -0.24 -0.25 118.70 127.39 3dyp s GLU 314 Ca 0.01 -0.64 -0.10 0.00 0.02 0.00 0.00 54.97 54.26 3dyp s GLU 314 Cb -0.18 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.38 3dyp s GLU 314 CO 0.04 0.32 0.17 -1.17 0.02 0.00 0.00 175.26 174.64 3dyp s LEU 315 N 0.10 4.24 0.00 1.80 2.96 -0.10 -1.19 118.68 126.50 3dyp s LEU 315 Ca -0.04 -0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 53.29 3dyp s LEU 315 Cb -0.14 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.53 3dyp s LEU 315 CO 0.04 -0.22 0.39 0.00 -1.32 0.00 0.00 176.35 175.24 3dyp n HIS 316 N 5.00 -1.29 -4.12 5.38 1.44 -0.32 -0.29 115.22 121.03 3dyp n HIS 316 Ca -0.13 -1.69 -0.24 0.00 -2.01 0.00 0.00 57.72 53.65 3dyp n HIS 316 Cb 0.49 0.44 -0.05 0.00 0.12 0.00 0.00 29.99 30.99 3dyp n HIS 316 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3dyp s THR 317 N -2.67 4.37 0.42 0.61 -4.23 -0.33 -0.31 115.64 113.51 3dyp s THR 317 Ca 0.20 -1.33 0.11 0.00 -1.18 0.00 0.00 61.69 59.49 3dyp s THR 317 Cb -0.01 -3.31 0.30 0.00 1.34 0.00 0.00 72.50 70.82 3dyp s THR 317 CO 0.15 -0.26 2.01 0.00 -0.54 0.00 0.00 174.62 175.98 3dyp h ALA 318 N 1.86 1.89 -0.17 3.99 0.00 -1.30 0.06 119.26 125.59 3dyp h ALA 318 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3dyp h ALA 318 Cb 1.23 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3dyp h ALA 318 CO 0.61 0.03 0.00 -0.25 0.00 0.00 0.00 179.25 179.64 3dyp n ASP 319 N -4.47 0.94 0.00 0.00 8.00 -1.26 -4.89 116.55 114.86 3dyp n ASP 319 Ca 0.07 -1.96 0.00 0.00 0.71 0.00 0.00 54.79 53.61 3dyp n ASP 319 Cb 0.24 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3dyp n ASP 319 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dyp n GLY 320 N 0.80 0.83 3.73 0.44 0.00 0.01 -5.08 105.19 105.93 3dyp n GLY 320 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3dyp n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dyp s THR 321 N -2.03 5.02 0.06 2.61 2.01 -1.25 -4.84 115.64 117.22 3dyp s THR 321 Ca 0.00 1.27 -0.29 0.00 0.31 0.00 0.00 61.69 62.99 3dyp s THR 321 Cb 0.00 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 3dyp s THR 321 CO 0.00 0.33 0.91 -0.22 -0.69 0.00 0.00 174.62 174.95 3dyp s LEU 322 N 0.38 4.44 -0.21 4.42 2.96 -1.26 -1.18 118.68 128.23 3dyp s LEU 322 Ca 0.33 1.65 -0.15 0.00 -0.22 0.00 0.00 54.13 55.74 3dyp s LEU 322 Cb -0.17 -3.48 -0.19 0.00 0.50 0.00 0.00 46.19 42.85 3dyp s LEU 322 CO 0.16 -0.11 0.08 -0.38 -1.32 0.00 0.00 176.35 174.78 3dyp n ILE 323 N 3.16 1.58 -3.61 6.68 5.41 0.60 -4.97 119.36 128.21 3dyp n ILE 323 Ca 0.02 -0.28 -0.04 0.00 1.00 0.00 0.00 62.75 63.45 3dyp n ILE 323 Cb 0.50 -1.89 -0.01 0.00 -0.71 0.00 0.00 39.64 37.52 3dyp n ILE 323 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 3dyp s GLU 324 N -2.45 0.67 0.04 0.38 -1.05 -0.87 -4.92 118.70 110.50 3dyp s GLU 324 Ca -0.30 -0.32 0.03 0.00 -0.15 0.00 0.00 54.97 54.23 3dyp s GLU 324 Cb 0.08 0.26 -0.02 0.00 -0.44 0.00 0.00 34.13 34.01 3dyp s GLU 324 CO 0.61 -0.30 -0.09 0.00 0.95 0.00 0.00 175.26 176.42 3dyp s ALA 325 N -2.81 0.74 0.37 -0.84 0.00 0.27 -0.92 121.76 118.56 3dyp s ALA 325 Ca 0.10 -0.77 0.05 0.00 0.00 0.00 0.00 51.96 51.34 3dyp s ALA 325 Cb 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 3dyp s ALA 325 CO -0.04 0.05 0.04 -1.21 0.00 0.00 0.00 175.76 174.60 3dyp s GLU 326 N -1.45 1.80 0.07 0.00 0.41 0.65 -1.81 118.70 118.36 3dyp s GLU 326 Ca -0.06 -2.02 -0.27 0.00 -0.41 0.00 0.00 54.97 52.21 3dyp s GLU 326 Cb -0.09 -1.16 0.09 0.00 -1.78 0.00 0.00 34.13 31.18 3dyp s GLU 326 CO 0.01 -0.16 0.83 0.00 -0.49 0.00 0.00 175.26 175.45 3dyp s ALA 327 N -3.06 -1.72 0.17 5.21 0.00 -1.26 -0.22 121.76 120.87 3dyp s ALA 327 Ca 0.34 0.70 -0.17 0.00 0.00 0.00 0.00 51.96 52.83 3dyp s ALA 327 Cb 0.09 0.57 0.03 0.00 0.00 0.00 0.00 23.12 23.81 3dyp s ALA 327 CO 0.16 -0.78 0.49 0.00 0.00 0.00 0.00 175.76 175.63 3dyp s ASP 329 N -2.85 7.39 -0.06 0.00 1.01 -1.26 -0.88 116.67 120.02 3dyp s ASP 329 Ca 0.07 1.66 0.05 0.00 0.71 0.00 0.00 52.55 55.04 3dyp s ASP 329 Cb -0.00 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 3dyp s ASP 329 CO -0.06 0.20 -0.23 -0.69 0.21 0.00 0.00 175.17 174.59 3dyp s VAL 330 N -1.18 1.93 -0.21 -1.27 1.01 0.14 -4.69 120.40 116.13 3dyp s VAL 330 Ca 0.37 -0.99 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3dyp s VAL 330 Cb -0.23 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.50 3dyp s VAL 330 CO 0.26 0.54 -0.08 -0.83 0.00 0.00 0.00 175.10 174.99 3dyp s GLY 331 N 0.00 1.56 -0.54 4.51 0.00 -1.26 -0.27 107.32 111.32 3dyp s GLY 331 Ca -0.07 -1.20 -0.28 0.00 0.00 0.00 0.00 44.72 43.16 3dyp s GLY 331 CO 0.05 0.40 1.15 -1.36 0.00 0.00 0.00 173.10 173.34 3dyp s PHE 332 N 1.43 2.70 -0.01 1.90 0.40 -1.26 -4.82 117.98 118.32 3dyp s PHE 332 Ca 0.05 0.50 -0.20 0.00 -0.60 0.00 0.00 56.93 56.69 3dyp s PHE 332 Cb -0.14 -4.45 0.04 0.00 0.51 0.00 0.00 43.02 38.98 3dyp s PHE 332 CO -0.06 -1.44 0.43 -0.98 0.70 0.00 0.00 175.22 173.88 3dyp s ARG 333 N 4.68 0.83 -0.09 0.44 3.03 -1.26 -1.06 118.95 125.51 3dyp s ARG 333 Ca 0.44 -0.11 0.01 0.00 2.03 0.00 0.00 55.73 58.10 3dyp s ARG 333 Cb -0.08 0.38 -0.02 0.00 -1.03 0.00 0.00 34.95 34.20 3dyp s ARG 333 CO 0.28 -0.25 -0.11 -2.00 -1.13 0.00 0.00 175.30 172.08 3dyp s GLU 334 N -1.55 3.01 -0.13 3.89 2.12 -1.26 -4.88 118.70 119.90 3dyp s GLU 334 Ca -0.11 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 54.60 3dyp s GLU 334 Cb -0.03 -2.58 0.01 0.00 0.26 0.00 0.00 34.13 31.79 3dyp s GLU 334 CO 0.04 0.44 -0.20 0.08 -0.54 0.00 0.00 175.26 175.08 3dyp s VAL 335 N -0.23 1.89 0.08 3.70 1.01 -1.26 -0.86 120.40 124.72 3dyp s VAL 335 Ca 0.02 -0.88 -0.16 0.00 0.00 0.00 0.00 61.98 60.96 3dyp s VAL 335 Cb -0.13 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.60 3dyp s VAL 335 CO 0.03 0.52 0.37 0.00 0.00 0.00 0.00 175.10 176.02 3dyp s ARG 336 N 0.85 0.95 -0.18 2.72 1.70 -0.64 -4.63 118.95 119.72 3dyp s ARG 336 Ca -0.07 -0.55 -0.04 0.00 -0.47 0.00 0.00 55.73 54.60 3dyp s ARG 336 Cb -0.15 0.42 -0.02 0.00 -0.57 0.00 0.00 34.95 34.62 3dyp s ARG 336 CO -0.02 -0.34 -0.03 0.42 -1.08 0.00 0.00 175.30 174.26 3dyp s ILE 337 N -3.05 3.77 -0.08 4.99 1.01 -1.26 0.64 121.20 127.22 3dyp s ILE 337 Ca -0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 3dyp s ILE 337 Cb 0.01 -2.68 0.03 0.00 0.01 0.00 0.00 42.46 39.83 3dyp s ILE 337 CO -0.07 0.45 0.19 -0.70 0.00 0.00 0.00 174.94 174.82 3dyp s GLU 338 N 0.83 0.18 -1.86 2.79 2.12 0.34 -4.83 118.70 118.28 3dyp s GLU 338 Ca -0.01 0.35 0.00 0.00 0.36 0.00 0.00 54.97 55.67 3dyp s GLU 338 Cb -0.14 -0.02 0.00 0.00 0.26 0.00 0.00 34.13 34.23 3dyp s GLU 338 CO 0.02 -0.09 0.00 -1.71 -0.54 0.00 0.00 175.26 172.94 3dyp n ASN 339 N 3.57 -5.82 0.00 -1.70 5.15 -1.26 -1.70 115.26 113.50 3dyp n ASN 339 Ca -0.19 0.09 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 3dyp n ASN 339 Cb 0.56 -4.90 0.00 0.00 -0.53 0.00 0.00 39.78 34.91 3dyp n ASN 339 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dyp n GLY 340 N -0.89 0.87 3.33 8.20 0.00 -1.25 -5.04 105.19 110.40 3dyp n GLY 340 Ca -0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3dyp n GLY 340 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dyp s LEU 341 N 0.00 2.27 -0.43 0.99 1.43 -0.69 -2.54 118.68 119.72 3dyp s LEU 341 Ca 0.00 -0.42 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 3dyp s LEU 341 Cb 0.00 -1.43 0.02 0.00 0.03 0.00 0.00 46.19 44.81 3dyp s LEU 341 CO 0.00 0.26 1.15 -0.22 0.23 0.00 0.00 176.35 177.77 3dyp s LEU 342 N -0.26 3.71 -0.06 1.79 2.96 -1.26 -0.51 118.68 125.06 3dyp s LEU 342 Ca -0.00 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 3dyp s LEU 342 Cb -0.13 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 3dyp s LEU 342 CO 0.03 -1.17 -0.08 -0.76 -1.32 0.00 0.00 176.35 173.05 3dyp s LEU 343 N 4.33 3.12 -0.18 -0.68 1.43 0.21 -1.97 118.68 124.95 3dyp s LEU 343 Ca 0.49 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.54 3dyp s LEU 343 Cb -0.09 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.46 3dyp s LEU 343 CO 0.28 0.35 -0.20 -0.22 0.23 0.00 0.00 176.35 176.79 3dyp s LEU 344 N -0.88 2.14 -1.52 1.79 2.96 0.69 -1.62 118.68 122.24 3dyp s LEU 344 Ca 0.13 -0.64 -0.13 0.00 -0.22 0.00 0.00 54.13 53.27 3dyp s LEU 344 Cb -0.11 -1.48 0.09 0.00 0.50 0.00 0.00 46.19 45.19 3dyp s LEU 344 CO 0.02 0.01 0.88 0.59 -1.32 0.00 0.00 176.35 176.53 3dyp n ASN 345 N 4.56 -4.67 0.00 3.68 3.02 -0.04 -0.84 115.26 120.97 3dyp n ASN 345 Ca -0.21 -0.71 0.00 0.00 -0.03 0.00 0.00 54.58 53.63 3dyp n ASN 345 Cb 0.50 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.93 3dyp n ASN 345 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dyp n GLY 346 N -1.59 0.88 3.54 7.41 0.00 -1.26 -5.02 105.19 109.15 3dyp n GLY 346 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3dyp n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dyp s LYS 347 N -0.11 2.38 -0.03 1.61 -0.14 -0.02 -4.99 119.74 118.44 3dyp s LYS 347 Ca 0.00 -0.81 -0.30 0.00 -1.36 0.00 0.00 55.97 53.50 3dyp s LYS 347 Cb 0.00 -2.38 -0.03 0.00 -1.68 0.00 0.00 37.83 33.73 3dyp s LYS 347 CO 0.00 0.58 1.12 -1.25 -0.76 0.00 0.00 175.35 175.04 3dyp s PRO 348 N -1.37 4.42 0.69 -1.68 0.04 -1.26 -0.22 135.00 135.62 3dyp s PRO 348 Ca 0.16 1.59 -0.12 0.00 0.04 0.00 0.00 61.00 62.67 3dyp s PRO 348 Cb -0.11 -3.49 0.01 0.00 0.04 0.00 0.00 34.50 30.95 3dyp s PRO 348 CO 0.06 -0.31 1.07 -0.51 0.04 0.00 0.00 177.00 177.36 3dyp s LEU 349 N 1.70 3.20 -0.34 -3.56 1.43 -0.83 -4.94 118.68 115.33 3dyp s LEU 349 Ca 0.54 1.73 0.00 0.00 -1.03 0.00 0.00 54.13 55.37 3dyp s LEU 349 Cb -0.24 -4.51 0.11 0.00 0.03 0.00 0.00 46.19 41.58 3dyp s LEU 349 CO 0.24 -1.53 0.11 -0.22 0.23 0.00 0.00 176.35 175.18 3dyp s LEU 350 N -5.38 2.72 -0.36 1.79 2.96 -1.26 -4.75 118.68 114.40 3dyp s LEU 350 Ca 0.60 -1.89 -0.29 0.00 -0.22 0.00 0.00 54.13 52.33 3dyp s LEU 350 Cb -0.15 -1.02 0.01 0.00 0.50 0.00 0.00 46.19 45.53 3dyp s LEU 350 CO 0.51 -0.39 1.25 -0.63 -1.32 0.00 0.00 176.35 175.77 3dyp s ILE 351 N 1.29 4.17 -1.10 6.68 -1.09 0.83 -4.93 121.20 127.05 3dyp s ILE 351 Ca 0.11 1.28 -0.07 0.00 -2.23 0.00 0.00 60.65 59.75 3dyp s ILE 351 Cb -0.19 -4.31 0.29 0.00 -1.58 0.00 0.00 42.46 36.68 3dyp s ILE 351 CO -0.18 -0.65 1.28 0.54 -1.23 0.00 0.00 174.94 174.70 3dyp n ARG 352 N 7.51 3.96 -3.66 2.79 1.74 -1.26 -2.03 116.66 125.71 3dyp n ARG 352 Ca 0.14 -4.51 -0.21 0.00 -0.77 0.00 0.00 57.85 52.51 3dyp n ARG 352 Cb 0.47 -2.53 -0.03 0.00 -1.02 0.00 0.00 32.46 29.36 3dyp n ARG 352 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dyp s GLY 353 N -0.17 1.88 -0.01 -0.13 0.00 -0.24 -0.37 107.32 108.28 3dyp s GLY 353 Ca 0.31 -1.71 -0.04 0.00 0.00 0.00 0.00 44.72 43.28 3dyp s GLY 353 CO 0.01 -1.59 0.08 0.54 0.00 0.00 0.00 173.10 172.14 3dyp s VAL 354 N -2.35 0.06 0.19 1.40 0.11 -0.39 -0.93 120.40 118.49 3dyp s VAL 354 Ca 0.44 -0.48 -0.21 0.00 -2.93 0.00 0.00 61.98 58.80 3dyp s VAL 354 Cb -0.06 -0.28 -0.08 0.00 -1.53 0.00 0.00 36.38 34.43 3dyp s VAL 354 CO 0.28 -0.26 0.72 0.20 -3.33 0.00 0.00 175.10 172.71 3dyp s ASN 355 N -0.85 7.16 -0.06 3.54 0.01 -0.10 -1.07 114.94 123.57 3dyp s ASN 355 Ca -0.09 1.47 -0.02 0.00 -0.71 0.00 0.00 52.86 53.50 3dyp s ASN 355 Cb -0.06 -2.44 0.04 0.00 0.41 0.00 0.00 41.25 39.20 3dyp s ASN 355 CO 0.00 0.11 0.08 -0.60 -1.51 0.00 0.00 177.10 175.19 3dyp s ARG 356 N -1.63 -0.05 0.50 -0.60 3.52 -0.60 -1.33 118.95 118.77 3dyp s ARG 356 Ca 0.39 0.40 -0.09 0.00 -0.13 0.00 0.00 55.73 56.30 3dyp s ARG 356 Cb -0.19 -0.51 -0.05 0.00 -1.56 0.00 0.00 34.95 32.64 3dyp s ARG 356 CO 0.22 -0.34 0.87 -1.01 -0.81 0.00 0.00 175.30 174.23 3dyp s HIS 357 N 2.20 3.55 -0.63 5.12 3.76 -1.26 -3.67 115.29 124.35 3dyp s HIS 357 Ca 0.04 1.06 -0.21 0.00 -0.15 0.00 0.00 55.06 55.81 3dyp s HIS 357 Cb -0.12 -2.50 0.08 0.00 1.11 0.00 0.00 32.58 31.16 3dyp s HIS 357 CO -0.04 -0.35 0.85 -1.21 -0.85 0.00 0.00 174.74 173.14 3dyp s GLU 358 N -4.56 3.08 -0.04 1.40 2.02 -1.26 -4.94 118.70 114.40 3dyp s GLU 358 Ca 0.52 -1.03 -0.03 0.00 0.02 0.00 0.00 54.97 54.44 3dyp s GLU 358 Cb -0.10 -4.24 0.01 0.00 0.10 0.00 0.00 34.13 29.90 3dyp s GLU 358 CO 0.42 -1.70 0.11 -1.58 0.02 0.00 0.00 175.26 172.54 3dyp s HIS 359 N 3.48 -0.12 -0.02 1.61 2.46 -1.26 -4.48 115.29 116.96 3dyp s HIS 359 Ca 0.18 0.30 0.00 0.00 0.47 0.00 0.00 55.06 56.01 3dyp s HIS 359 Cb -0.20 0.02 0.02 0.00 -0.13 0.00 0.00 32.58 32.29 3dyp s HIS 359 CO 0.09 -0.07 0.01 -1.58 -2.47 0.00 0.00 174.74 170.71 3dyp s HIS 360 N 0.23 0.21 0.59 3.88 5.04 0.22 -4.99 115.29 120.46 3dyp s HIS 360 Ca -0.01 0.04 0.31 0.00 -1.54 0.00 0.00 55.06 53.85 3dyp s HIS 360 Cb -0.02 -0.32 1.85 0.00 0.04 0.00 0.00 32.58 34.13 3dyp s HIS 360 CO -0.01 -0.10 2.26 -1.00 -2.34 0.00 0.00 174.74 173.55 3dyp h PRO 361 N 7.12 0.00 0.00 2.88 0.13 -1.78 0.24 132.00 140.58 3dyp h PRO 361 Ca -0.42 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.45 3dyp h PRO 361 Cb 1.14 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.22 3dyp h PRO 361 CO 0.48 0.01 -1.98 1.28 -0.23 0.00 0.00 178.00 177.55 3dyp n LEU 362 N -3.79 2.25 -0.86 1.56 4.77 -1.26 -1.16 117.00 118.50 3dyp n LEU 362 Ca -0.03 -0.07 0.12 0.00 -0.03 0.00 0.00 56.01 56.00 3dyp n LEU 362 Cb 0.09 -0.38 0.17 0.00 -2.33 0.00 0.00 43.42 40.96 3dyp n LEU 362 CO 0.27 0.68 0.66 1.41 -1.33 0.00 0.00 177.39 179.08 3dyp n HIS 363 N -2.89 0.00 0.00 -1.77 8.25 -1.17 -4.97 115.22 112.67 3dyp n HIS 363 Ca -0.29 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 3dyp n HIS 363 Cb 0.86 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.97 3dyp n HIS 363 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dyp n GLY 364 N 1.32 2.52 1.14 -1.41 0.00 0.82 -3.20 105.19 106.39 3dyp n GLY 364 Ca 0.15 -0.39 0.08 0.00 0.00 0.00 0.00 46.02 45.86 3dyp n GLY 364 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dyp n GLN 365 N 12.27 3.38 -2.90 1.61 6.02 -1.26 -0.61 117.38 135.88 3dyp n GLN 365 Ca 0.00 -2.73 -0.41 0.00 -0.01 0.00 0.00 57.00 53.85 3dyp n GLN 365 Cb 0.00 -1.79 -0.04 0.00 1.02 0.00 0.00 30.24 29.43 3dyp n GLN 365 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3dyp s VAL 366 N -2.18 4.89 0.00 5.09 1.01 -1.19 -4.85 120.40 123.17 3dyp s VAL 366 Ca 0.42 1.62 0.00 0.00 0.00 0.00 0.00 61.98 64.03 3dyp s VAL 366 Cb 0.30 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 3dyp s VAL 366 CO 0.15 0.04 0.06 -0.04 0.00 0.00 0.00 175.10 175.31 3dyp s MET 367 N 2.06 2.97 0.14 2.72 -1.94 -1.26 -4.71 119.30 119.28 3dyp s MET 367 Ca 0.38 -0.54 0.06 0.00 -1.71 0.00 0.00 55.69 53.89 3dyp s MET 367 Cb -0.17 -2.79 -0.04 0.00 2.01 0.00 0.00 34.83 33.84 3dyp s MET 367 CO 0.13 0.64 -0.14 0.16 -0.01 0.00 0.00 175.02 175.80 3dyp s ASP 368 N -1.71 2.08 0.23 3.03 1.47 -1.26 -5.03 116.67 115.47 3dyp s ASP 368 Ca 0.22 -0.88 -0.07 0.00 1.18 0.00 0.00 52.55 52.99 3dyp s ASP 368 Cb -0.12 -0.07 0.29 0.00 -0.34 0.00 0.00 42.92 42.68 3dyp s ASP 368 CO 0.13 -0.18 1.83 -0.08 0.68 0.00 0.00 175.17 177.55 3dyp h GLU 369 N 3.21 0.82 -0.82 2.11 4.81 -1.99 -1.27 114.58 121.45 3dyp h GLU 369 Ca -0.39 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.79 3dyp h GLU 369 Cb 1.20 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 30.35 3dyp h GLU 369 CO 0.55 0.54 0.50 0.37 -0.73 0.00 0.00 179.01 180.24 3dyp h GLN 370 N 0.84 1.11 -0.48 1.92 4.15 -1.99 -1.14 115.11 119.52 3dyp h GLN 370 Ca 0.34 -0.10 -0.08 0.00 0.77 0.00 0.00 58.65 59.58 3dyp h GLN 370 Cb 0.18 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 3dyp h GLN 370 CO -0.18 0.77 -0.01 1.15 -1.93 0.00 0.00 178.83 178.63 3dyp h THR 371 N 1.12 1.26 -0.67 2.39 2.02 -1.80 -0.39 112.91 116.85 3dyp h THR 371 Ca 0.29 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.39 3dyp h THR 371 Cb -0.06 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 3dyp h THR 371 CO -0.06 0.38 0.42 0.24 0.37 0.00 0.00 175.52 176.88 3dyp h MET 372 N 0.71 0.89 -0.30 6.66 2.86 -0.85 -0.70 114.93 124.21 3dyp h MET 372 Ca 0.13 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3dyp h MET 372 Cb 0.53 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.98 3dyp h MET 372 CO 0.03 0.61 0.13 0.28 1.06 0.00 0.00 176.91 179.02 3dyp h VAL 373 N 0.90 1.17 -0.63 -2.22 2.07 -1.07 0.19 116.25 116.66 3dyp h VAL 373 Ca 0.24 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.33 3dyp h VAL 373 Cb -0.07 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3dyp h VAL 373 CO -0.05 0.18 0.31 -0.61 0.02 0.00 0.00 177.57 177.42 3dyp h GLN 374 N 0.34 0.54 -0.31 1.57 4.15 -0.69 0.22 115.11 120.93 3dyp h GLN 374 Ca 0.10 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.45 3dyp h GLN 374 Cb 0.16 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3dyp h GLN 374 CO -0.01 0.36 0.05 -0.44 -1.93 0.00 0.00 178.83 176.85 3dyp h ASP 375 N 0.56 0.49 -0.73 -0.69 3.32 -0.64 -1.19 116.42 117.53 3dyp h ASP 375 Ca 0.30 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3dyp h ASP 375 Cb 0.27 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3dyp h ASP 375 CO -0.23 0.63 0.42 0.40 -1.72 0.00 0.00 179.24 178.74 3dyp h ILE 376 N 0.33 1.22 -0.56 0.35 2.04 -0.34 0.83 117.51 121.38 3dyp h ILE 376 Ca 0.09 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 3dyp h ILE 376 Cb 0.35 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3dyp h ILE 376 CO 0.01 0.23 0.28 -0.07 0.00 0.00 0.00 178.15 178.60 3dyp h LEU 377 N 1.00 0.73 -0.87 1.44 3.38 -0.41 -1.03 115.31 119.56 3dyp h LEU 377 Ca 0.26 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 3dyp h LEU 377 Cb 0.01 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3dyp h LEU 377 CO -0.04 0.64 0.06 -0.07 0.09 0.00 0.00 178.44 179.12 3dyp h LEU 378 N 0.76 0.86 0.12 1.67 3.38 -0.87 0.17 115.31 121.39 3dyp h LEU 378 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3dyp h LEU 378 Cb 0.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.62 3dyp h LEU 378 CO -0.03 0.88 -0.06 0.24 0.09 0.00 0.00 178.44 179.57 3dyp h MET 379 N 0.85 -0.16 -0.73 1.13 2.86 -0.44 -0.75 114.93 117.69 3dyp h MET 379 Ca 0.17 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.76 3dyp h MET 379 Cb 0.41 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.08 3dyp h MET 379 CO 0.01 -0.10 0.20 0.87 1.06 0.00 0.00 176.91 178.96 3dyp h LYS 380 N -0.17 1.15 0.00 1.72 1.57 -1.04 -0.84 116.57 118.96 3dyp h LYS 380 Ca -0.02 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 3dyp h LYS 380 Cb 0.13 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3dyp h LYS 380 CO 0.03 0.99 0.00 1.96 -0.57 0.00 0.00 179.45 181.86 3dyp h GLN 381 N 1.10 0.00 -0.52 3.15 4.20 -0.42 -2.14 115.11 120.48 3dyp h GLN 381 Ca 0.23 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.72 3dyp h GLN 381 Cb 0.34 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.99 3dyp h GLN 381 CO -0.00 0.00 0.13 0.09 -0.67 0.00 0.00 178.83 178.38 3dyp n ASN 382 N -2.99 3.33 -1.72 1.46 3.02 -0.31 -4.95 115.26 113.10 3dyp n ASN 382 Ca -0.01 -3.53 -0.16 0.00 -0.03 0.00 0.00 54.58 50.85 3dyp n ASN 382 Cb 0.18 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.65 3dyp n ASN 382 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3dyp n ASN 383 N -0.88 -4.90 -4.83 6.41 3.02 -0.80 -3.85 115.26 109.42 3dyp n ASN 383 Ca 0.38 0.09 -0.35 0.00 -0.03 0.00 0.00 54.58 54.67 3dyp n ASN 383 Cb 1.19 -3.97 -0.06 0.00 -0.61 0.00 0.00 39.78 36.33 3dyp n ASN 383 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3dyp s PHE 384 N -2.77 3.55 0.00 3.10 0.40 -0.45 -4.84 117.98 116.98 3dyp s PHE 384 Ca 0.00 1.23 0.00 0.00 -0.60 0.00 0.00 56.93 57.56 3dyp s PHE 384 Cb 0.00 -2.51 0.00 0.00 0.51 0.00 0.00 43.02 41.02 3dyp s PHE 384 CO 0.00 0.29 0.61 0.27 0.70 0.00 0.00 175.22 177.09 3dyp n ASN 385 N 0.41 1.00 -3.62 1.36 0.23 0.50 -4.31 115.26 110.82 3dyp n ASN 385 Ca -0.01 -1.37 -0.15 0.00 -0.53 0.00 0.00 54.58 52.51 3dyp n ASN 385 Cb 0.52 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 38.15 3dyp n ASN 385 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3dyp s ALA 386 N -0.37 -1.31 0.01 -2.53 0.00 -1.12 -0.70 121.76 115.74 3dyp s ALA 386 Ca 0.00 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.77 3dyp s ALA 386 Cb 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 3dyp s ALA 386 CO 0.00 -0.35 -0.03 0.54 0.00 0.00 0.00 175.76 175.92 3dyp s VAL 387 N -1.45 0.18 -0.15 0.00 0.11 0.41 -1.26 120.40 118.23 3dyp s VAL 387 Ca -0.11 -0.39 -0.02 0.00 -2.93 0.00 0.00 61.98 58.53 3dyp s VAL 387 Cb -0.02 -0.21 -0.02 0.00 -1.53 0.00 0.00 36.38 34.60 3dyp s VAL 387 CO 0.06 -0.14 -0.08 -0.60 -3.33 0.00 0.00 175.10 171.01 3dyp s ARG 388 N -0.56 3.49 -1.32 1.54 3.52 -0.24 -1.44 118.95 123.94 3dyp s ARG 388 Ca -0.05 -0.61 -0.16 0.00 -0.13 0.00 0.00 55.73 54.78 3dyp s ARG 388 Cb -0.04 -2.80 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 3dyp s ARG 388 CO -0.00 0.15 2.16 0.00 -0.81 0.00 0.00 175.30 176.80 3dyp s SER 390 N 3.59 6.71 -0.39 0.00 1.04 -1.24 -1.35 113.70 122.07 3dyp s SER 390 Ca 0.49 1.78 0.11 0.00 0.48 0.00 0.00 55.95 58.82 3dyp s SER 390 Cb 0.14 -2.54 0.33 0.00 0.10 0.00 0.00 66.02 64.06 3dyp s SER 390 CO -0.04 -0.95 0.71 1.41 0.98 0.00 0.00 173.24 175.35 3dyp n HIS 391 N 7.27 0.36 -3.58 5.02 -0.00 -1.26 -4.09 115.22 118.94 3dyp n HIS 391 Ca 0.16 -3.80 -0.05 0.00 -0.00 0.00 0.00 57.72 54.03 3dyp n HIS 391 Cb 0.44 -0.42 -0.02 0.00 -0.00 0.00 0.00 29.99 30.00 3dyp n HIS 391 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.34 177.86 3dyp s TYR 392 N -2.32 -0.18 0.34 4.41 -0.85 -0.46 -4.31 117.35 113.98 3dyp s TYR 392 Ca 0.40 0.10 -0.29 0.00 -0.52 0.00 0.00 57.07 56.76 3dyp s TYR 392 Cb 0.32 0.53 -0.11 0.00 0.38 0.00 0.00 41.96 43.08 3dyp s TYR 392 CO -0.09 -0.31 1.52 -2.14 -1.52 0.00 0.00 175.55 173.01 3dyp s PRO 393 N -2.63 4.13 0.64 -3.49 0.02 -0.45 -4.54 135.00 128.67 3dyp s PRO 393 Ca 0.09 2.55 -0.00 0.00 0.02 0.00 0.00 61.00 63.65 3dyp s PRO 393 Cb -0.01 -3.00 0.08 0.00 0.02 0.00 0.00 34.50 31.59 3dyp s PRO 393 CO -0.06 -0.56 0.89 -0.80 -0.33 0.00 0.00 177.00 176.15 3dyp s ASN 394 N 0.11 4.83 0.28 2.53 0.02 -1.26 -4.84 114.94 116.60 3dyp s ASN 394 Ca 0.57 -0.11 -0.30 0.00 -1.02 0.00 0.00 52.86 52.00 3dyp s ASN 394 Cb -0.47 -0.53 -0.13 0.00 0.02 0.00 0.00 41.25 40.14 3dyp s ASN 394 CO 0.56 -1.50 1.30 1.57 0.02 0.00 0.00 177.10 179.05 3dyp n HIS 395 N -2.62 2.04 -0.30 2.20 -0.00 -1.26 -4.83 115.22 110.45 3dyp n HIS 395 Ca 0.11 0.52 0.20 0.00 -0.00 0.00 0.00 57.72 58.55 3dyp n HIS 395 Cb 0.60 -2.41 0.48 0.00 -0.00 0.00 0.00 29.99 28.67 3dyp n HIS 395 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3dyp h PRO 396 N 3.32 0.44 0.00 1.57 0.13 -1.96 -0.71 132.00 134.79 3dyp h PRO 396 Ca -0.45 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3dyp h PRO 396 Cb 1.29 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dyp h PRO 396 CO 0.69 0.29 -0.08 1.25 -0.23 0.00 0.00 178.00 179.92 3dyp h LEU 397 N 0.45 0.00 -1.10 1.56 5.85 -2.01 -2.91 115.31 117.15 3dyp h LEU 397 Ca 0.56 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.30 3dyp h LEU 397 Cb 1.33 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.31 3dyp h LEU 397 CO -0.27 0.08 0.61 -0.25 -0.34 0.00 0.00 178.44 178.27 3dyp h TRP 398 N 0.00 1.14 -0.45 1.25 2.91 -1.47 -1.37 115.95 117.96 3dyp h TRP 398 Ca -0.00 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 59.94 3dyp h TRP 398 Cb 0.27 -0.38 -0.02 0.00 -0.51 0.00 0.00 29.16 28.52 3dyp h TRP 398 CO 0.00 0.68 -0.16 1.88 -1.03 0.00 0.00 178.44 179.81 3dyp h TYR 399 N 1.19 0.95 -0.21 2.65 -1.99 -1.68 0.11 116.97 117.98 3dyp h TYR 399 Ca 0.36 -0.20 -0.01 0.00 2.00 0.00 0.00 58.73 60.88 3dyp h TYR 399 Cb -0.04 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 38.45 3dyp h TYR 399 CO -0.00 0.94 0.10 1.15 -0.00 0.00 0.00 178.16 180.35 3dyp h THR 400 N 0.75 1.14 -0.57 -2.88 2.02 -1.49 0.17 112.91 112.05 3dyp h THR 400 Ca 0.12 -0.39 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 3dyp h THR 400 Cb 0.67 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.07 3dyp h THR 400 CO 0.05 0.13 0.09 -0.07 0.37 0.00 0.00 175.52 176.10 3dyp h LEU 401 N 0.21 0.90 -0.93 2.58 3.38 -0.97 -1.98 115.31 118.50 3dyp h LEU 401 Ca 0.07 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3dyp h LEU 401 Cb 0.12 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3dyp h LEU 401 CO -0.01 0.93 0.05 0.00 0.09 0.00 0.00 178.44 179.50 3dyp h ASP 403 N 0.79 0.96 0.18 0.00 3.32 -0.43 0.26 116.42 121.49 3dyp h ASP 403 Ca 0.16 -0.13 -0.35 0.00 0.02 0.00 0.00 57.03 56.73 3dyp h ASP 403 Cb 0.40 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3dyp h ASP 403 CO 0.01 0.84 -1.80 0.03 -1.72 0.00 0.00 179.24 176.61 3dyp h ARG 404 N 1.03 0.37 0.00 3.56 3.08 -0.91 -3.34 114.38 118.17 3dyp h ARG 404 Ca 0.24 -0.63 -0.06 0.00 0.07 0.00 0.00 59.98 59.60 3dyp h ARG 404 Cb 0.17 0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 3dyp h ARG 404 CO -0.02 1.30 -0.64 1.88 -1.07 0.00 0.00 179.97 181.42 3dyp h TYR 405 N 0.09 0.00 -1.56 3.04 -1.99 -0.21 -3.45 116.97 112.88 3dyp h TYR 405 Ca -0.36 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.37 3dyp h TYR 405 Cb 2.08 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.81 3dyp h TYR 405 CO 0.10 0.23 0.00 0.41 -0.00 0.00 0.00 178.16 178.90 3dyp n GLY 406 N 1.21 -0.96 2.93 3.88 0.00 0.04 -4.82 105.19 107.46 3dyp n GLY 406 Ca 0.00 -0.44 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 3dyp n GLY 406 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dyp s LEU 407 N -0.21 1.63 0.13 0.99 1.43 -0.94 -4.64 118.68 117.07 3dyp s LEU 407 Ca 0.00 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.94 3dyp s LEU 407 Cb 0.00 0.22 -0.07 0.00 0.03 0.00 0.00 46.19 46.37 3dyp s LEU 407 CO 0.00 -0.04 1.16 -0.31 0.23 0.00 0.00 176.35 177.39 3dyp s TYR 408 N 0.19 3.50 -0.04 0.29 4.12 0.12 -4.72 117.35 120.80 3dyp s TYR 408 Ca -0.01 1.45 0.06 0.00 0.02 0.00 0.00 57.07 58.58 3dyp s TYR 408 Cb -0.02 -3.36 -0.02 0.00 -1.52 0.00 0.00 41.96 37.04 3dyp s TYR 408 CO -0.01 -0.98 -0.22 0.08 0.02 0.00 0.00 175.55 174.44 3dyp s VAL 409 N 0.36 2.37 -0.34 0.71 1.01 0.14 -0.44 120.40 124.20 3dyp s VAL 409 Ca 0.54 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 3dyp s VAL 409 Cb -0.30 -1.87 0.00 0.00 0.00 0.00 0.00 36.38 34.21 3dyp s VAL 409 CO 0.33 0.58 0.20 -0.69 0.00 0.00 0.00 175.10 175.52 3dyp s VAL 410 N -0.48 4.82 -0.20 2.92 1.01 -0.52 -1.46 120.40 126.49 3dyp s VAL 410 Ca 0.06 -0.51 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 3dyp s VAL 410 Cb -0.11 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3dyp s VAL 410 CO 0.01 -0.07 0.35 -0.62 0.00 0.00 0.00 175.10 174.77 3dyp s ASP 411 N 1.63 6.40 -0.07 3.32 2.15 -0.89 -1.88 116.67 127.32 3dyp s ASP 411 Ca 0.04 0.46 0.05 0.00 0.43 0.00 0.00 52.55 53.53 3dyp s ASP 411 Cb -0.18 -2.21 -0.00 0.00 -0.30 0.00 0.00 42.92 40.23 3dyp s ASP 411 CO 0.08 -0.03 -0.22 -0.70 -0.17 0.00 0.00 175.17 174.13 3dyp s GLU 412 N 1.14 2.50 0.51 4.34 2.12 -1.26 0.07 118.70 128.11 3dyp s GLU 412 Ca 0.17 -0.80 -0.22 0.00 0.36 0.00 0.00 54.97 54.48 3dyp s GLU 412 Cb -0.14 -2.03 -0.06 0.00 0.26 0.00 0.00 34.13 32.16 3dyp s GLU 412 CO 0.07 0.26 1.25 0.00 -0.54 0.00 0.00 175.26 176.31 3dyp s ALA 413 N 0.10 2.87 -1.50 6.30 0.00 -0.44 -1.35 121.76 127.74 3dyp s ALA 413 Ca -0.10 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.86 3dyp s ALA 413 Cb -0.15 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.48 3dyp s ALA 413 CO 0.05 -1.02 2.53 -1.71 0.00 0.00 0.00 175.76 175.61 3dyp n ASN 414 N -0.82 5.91 -3.76 0.00 5.15 -1.26 -3.95 115.26 116.52 3dyp n ASN 414 Ca 0.09 -2.71 -0.28 0.00 -0.60 0.00 0.00 54.58 51.08 3dyp n ASN 414 Cb 0.47 -1.59 -0.16 0.00 -0.53 0.00 0.00 39.78 37.96 3dyp n ASN 414 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3dyp s ILE 415 N 2.82 0.66 -0.07 -1.44 1.01 -1.25 -4.76 121.20 118.16 3dyp s ILE 415 Ca 0.57 -0.63 -0.03 0.00 0.00 0.00 0.00 60.65 60.55 3dyp s ILE 415 Cb 0.16 -1.12 0.04 0.00 0.01 0.00 0.00 42.46 41.54 3dyp s ILE 415 CO -0.07 -0.19 0.14 -0.70 0.00 0.00 0.00 174.94 174.12 3dyp s GLU 416 N 1.80 0.03 -0.34 2.79 2.12 0.81 -1.20 118.70 124.71 3dyp s GLU 416 Ca -0.01 0.48 0.09 0.00 0.36 0.00 0.00 54.97 55.89 3dyp s GLU 416 Cb -0.17 -0.28 0.45 0.00 0.26 0.00 0.00 34.13 34.39 3dyp s GLU 416 CO -0.08 -0.27 1.13 0.25 -0.54 0.00 0.00 175.26 175.75 3dyp n THR 417 N 5.02 2.17 -0.29 -1.70 -2.24 -1.08 -0.79 114.28 115.36 3dyp n THR 417 Ca -0.10 -4.21 0.10 0.00 -2.27 0.00 0.00 64.05 57.57 3dyp n THR 417 Cb 0.50 -0.71 0.34 0.00 -2.10 0.00 0.00 70.33 68.36 3dyp n THR 417 CO 0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 175.07 173.37 3dyp h ASN 418 N 2.46 0.74 0.53 3.42 -0.73 -1.53 -2.34 115.58 118.12 3dyp h ASN 418 Ca 0.24 0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.45 3dyp h ASN 418 Cb 1.25 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.73 3dyp h ASN 418 CO 0.70 0.39 0.00 0.61 -0.37 0.00 0.00 177.43 178.75 3dyp n GLY 419 N -1.41 -1.14 3.78 1.57 0.00 -1.21 -4.81 105.19 101.97 3dyp n GLY 419 Ca 0.17 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 3dyp n GLY 419 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dyp s MET 420 N -2.65 2.42 -0.13 1.61 -1.94 -0.88 -4.78 119.30 112.94 3dyp s MET 420 Ca 0.21 1.14 -0.01 0.00 -1.71 0.00 0.00 55.69 55.33 3dyp s MET 420 Cb 0.16 -1.92 0.03 0.00 2.01 0.00 0.00 34.83 35.12 3dyp s MET 420 CO 0.39 -1.52 -0.04 0.08 -0.01 0.00 0.00 175.02 173.92 3dyp s VAL 421 N -2.90 0.90 1.15 -6.03 1.01 -1.26 -3.11 120.40 110.16 3dyp s VAL 421 Ca 0.61 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 62.03 3dyp s VAL 421 Cb -0.17 -1.05 0.27 0.00 0.00 0.00 0.00 36.38 35.43 3dyp s VAL 421 CO 0.55 0.21 1.13 -2.16 0.00 0.00 0.00 175.10 174.83 3dyp s PRO 422 N 1.74 -0.82 0.56 2.72 0.04 -1.26 -4.82 135.00 133.15 3dyp s PRO 422 Ca 0.03 -0.05 0.27 0.00 0.04 0.00 0.00 61.00 61.29 3dyp s PRO 422 Cb -0.14 -1.64 1.64 0.00 0.04 0.00 0.00 34.50 34.40 3dyp s PRO 422 CO -0.07 -3.45 2.19 1.98 0.04 0.00 0.00 177.00 177.68 3dyp h MET 423 N -2.39 0.00 -0.67 4.56 4.05 -1.86 -2.45 114.93 116.16 3dyp h MET 423 Ca -0.46 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 58.96 3dyp h MET 423 Cb 1.29 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 3dyp h MET 423 CO 0.37 0.04 0.00 0.27 0.23 0.00 0.00 176.91 177.83 3dyp n ASN 424 N -3.86 4.41 -0.31 1.39 6.94 -1.25 -3.96 115.26 118.62 3dyp n ASN 424 Ca -0.03 -2.63 0.07 0.00 -0.02 0.00 0.00 54.58 51.98 3dyp n ASN 424 Cb 0.13 -0.61 0.23 0.00 -2.36 0.00 0.00 39.78 37.17 3dyp n ASN 424 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 3dyp h ARG 425 N 3.04 0.73 0.15 -3.83 2.43 -1.74 0.95 114.38 116.11 3dyp h ARG 425 Ca 0.00 -0.04 -0.27 0.00 -0.81 0.00 0.00 59.98 58.85 3dyp h ARG 425 Cb 1.53 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 30.93 3dyp h ARG 425 CO 0.33 0.48 -1.32 -0.07 -1.51 0.00 0.00 179.97 177.88 3dyp h LEU 426 N 0.75 0.50 -1.58 3.80 3.38 -1.87 -3.33 115.31 116.97 3dyp h LEU 426 Ca 0.47 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3dyp h LEU 426 Cb 0.60 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3dyp h LEU 426 CO -0.32 1.60 0.00 0.71 0.09 0.00 0.00 178.44 180.52 3dyp h THR 427 N -0.20 0.00 -0.04 0.22 1.35 -1.73 -0.26 112.91 112.25 3dyp h THR 427 Ca -0.26 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3dyp h THR 427 Cb 1.84 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.46 3dyp h THR 427 CO 0.13 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.73 3dyp n ASP 428 N -2.82 2.12 -4.59 5.36 2.03 0.30 -1.94 116.55 117.00 3dyp n ASP 428 Ca 0.00 -1.71 -0.38 0.00 0.52 0.00 0.00 54.79 53.22 3dyp n ASP 428 Cb 0.22 -0.02 -0.11 0.00 -0.72 0.00 0.00 41.12 40.50 3dyp n ASP 428 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3dyp s ASP 429 N -1.96 6.03 0.58 1.67 -1.08 -0.11 -4.56 116.67 117.23 3dyp s ASP 429 Ca 0.34 -0.00 0.27 0.00 -0.52 0.00 0.00 52.55 52.64 3dyp s ASP 429 Cb 0.20 -2.12 1.63 0.00 -1.46 0.00 0.00 42.92 41.17 3dyp s ASP 429 CO 0.32 -0.05 2.14 1.55 0.52 0.00 0.00 175.17 179.64 3dyp h PRO 430 N 8.36 0.00 0.00 4.34 0.13 -1.90 0.14 132.00 143.07 3dyp h PRO 430 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 3dyp h PRO 430 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3dyp h PRO 430 CO 0.55 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.32 3dyp h ARG 431 N 0.00 0.00 -0.09 0.86 3.08 -1.93 -0.43 114.38 115.87 3dyp h ARG 431 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3dyp h ARG 431 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3dyp h ARG 431 CO -0.00 0.00 0.00 0.91 -1.07 0.00 0.00 179.97 179.81 3dyp n TRP 432 N -2.62 0.09 -0.19 3.04 7.02 0.50 -4.47 117.44 120.80 3dyp n TRP 432 Ca -0.00 -0.05 -0.06 0.00 -1.02 0.00 0.00 57.50 56.37 3dyp n TRP 432 Cb 0.17 -0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.09 3dyp n TRP 432 CO 0.00 0.00 0.00 1.25 -2.02 0.00 0.00 177.69 176.92 3dyp h LEU 433 N 4.26 0.64 -0.04 -0.99 5.85 -1.06 -1.47 115.31 122.50 3dyp h LEU 433 Ca 0.00 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.73 3dyp h LEU 433 Cb 0.92 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.76 3dyp h LEU 433 CO 0.00 0.46 -0.10 -0.65 -0.34 0.00 0.00 178.44 177.81 3dyp h PRO 434 N 0.76 -0.15 -0.72 5.25 0.11 -1.78 0.34 132.00 135.81 3dyp h PRO 434 Ca 0.21 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.26 3dyp h PRO 434 Cb -0.08 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 3dyp h PRO 434 CO -0.05 -0.10 0.18 0.00 -0.21 0.00 0.00 178.00 177.83 3dyp h ALA 435 N 0.86 0.95 -0.46 -0.75 0.00 -1.73 -2.52 119.26 115.60 3dyp h ALA 435 Ca 0.05 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3dyp h ALA 435 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3dyp h ALA 435 CO -0.13 0.66 0.07 0.52 0.00 0.00 0.00 179.25 180.37 3dyp h MET 436 N 1.08 0.77 -0.83 0.00 2.86 -0.85 -3.11 114.93 114.85 3dyp h MET 436 Ca 0.23 -0.21 0.16 0.00 -2.06 0.00 0.00 59.70 57.82 3dyp h MET 436 Cb 0.36 -0.09 -0.10 0.00 0.06 0.00 0.00 31.60 31.83 3dyp h MET 436 CO 0.00 0.78 0.40 0.66 1.06 0.00 0.00 176.91 179.81 3dyp h SER 437 N 0.63 0.44 0.54 1.22 4.64 0.08 -0.99 113.55 120.11 3dyp h SER 437 Ca 0.14 0.10 -0.07 0.00 -0.47 0.00 0.00 61.79 61.50 3dyp h SER 437 Cb 0.39 0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3dyp h SER 437 CO 0.01 0.16 -0.32 -0.33 -0.87 0.00 0.00 176.83 175.48 3dyp h GLU 438 N 0.55 0.00 0.00 4.77 5.08 -1.41 0.47 114.58 124.03 3dyp h GLU 438 Ca 0.46 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.74 3dyp h GLU 438 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 3dyp h GLU 438 CO -0.40 0.32 -0.38 0.00 -1.00 0.00 0.00 179.01 177.55 3dyp h ARG 439 N 0.00 0.00 0.00 2.33 3.08 -1.14 -1.40 114.38 117.25 3dyp h ARG 439 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.88 3dyp h ARG 439 Cb 0.68 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 3dyp h ARG 439 CO 0.04 0.38 -1.00 0.28 -1.07 0.00 0.00 179.97 178.61 3dyp h VAL 440 N 0.00 0.86 -0.67 2.04 2.07 -0.94 -3.32 116.25 116.28 3dyp h VAL 440 Ca -0.00 -2.01 -0.03 0.00 0.82 0.00 0.00 66.70 65.47 3dyp h VAL 440 Cb 0.87 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 3dyp h VAL 440 CO 0.05 0.29 0.28 0.71 0.02 0.00 0.00 177.57 178.92 3dyp h THR 441 N -1.00 1.24 0.00 2.57 1.35 -0.14 -2.41 112.91 114.52 3dyp h THR 441 Ca -0.26 -0.72 -0.06 0.00 -0.55 0.00 0.00 66.41 64.82 3dyp h THR 441 Cb 1.13 0.46 -0.01 0.00 -1.73 0.00 0.00 68.15 68.01 3dyp h THR 441 CO -0.16 0.29 -0.30 0.03 -0.25 0.00 0.00 175.52 175.13 3dyp h ARG 442 N 0.94 0.00 -0.17 4.72 3.08 -1.44 -0.32 114.38 121.19 3dyp h ARG 442 Ca 0.23 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 3dyp h ARG 442 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 3dyp h ARG 442 CO -0.02 0.30 -0.05 1.98 -1.07 0.00 0.00 179.97 181.11 3dyp h MET 443 N 0.00 0.34 -0.60 0.04 4.05 -1.56 -2.25 114.93 114.94 3dyp h MET 443 Ca -0.00 -0.13 -0.08 0.00 -0.28 0.00 0.00 59.70 59.21 3dyp h MET 443 Cb 0.61 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 3dyp h MET 443 CO 0.04 0.61 0.06 0.28 0.23 0.00 0.00 176.91 178.14 3dyp h VAL 444 N 0.04 1.26 -0.18 -5.77 2.07 -1.06 -0.28 116.25 112.32 3dyp h VAL 444 Ca 0.04 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.51 3dyp h VAL 444 Cb 0.49 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3dyp h VAL 444 CO 0.02 0.38 0.10 1.56 0.02 0.00 0.00 177.57 179.65 3dyp h GLN 445 N 0.92 0.24 0.18 1.57 4.20 -1.05 -1.73 115.11 119.45 3dyp h GLN 445 Ca 0.18 -0.02 -0.31 0.00 0.06 0.00 0.00 58.65 58.56 3dyp h GLN 445 Cb 0.47 -0.05 0.02 0.00 0.30 0.00 0.00 27.48 28.22 3dyp h GLN 445 CO 0.02 0.18 -1.46 -0.09 -0.67 0.00 0.00 178.83 176.81 3dyp h ARG 446 N 0.25 0.39 -0.01 1.46 2.43 -0.80 -2.95 114.38 115.15 3dyp h ARG 446 Ca 0.07 -0.67 0.00 0.00 -0.81 0.00 0.00 59.98 58.57 3dyp h ARG 446 Cb 0.01 0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 3dyp h ARG 446 CO -0.01 1.32 -0.69 -0.25 -1.51 0.00 0.00 179.97 178.83 3dyp n ASP 447 N -3.78 1.54 0.30 -3.80 8.00 -0.17 -4.25 116.55 114.38 3dyp n ASP 447 Ca -0.21 -1.25 0.17 0.00 0.71 0.00 0.00 54.79 54.21 3dyp n ASP 447 Cb 1.01 0.68 0.88 0.00 -0.02 0.00 0.00 41.12 43.66 3dyp n ASP 447 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 3dyp h ARG 448 N 1.34 0.00 -0.02 -1.24 0.11 -1.52 -1.88 114.38 111.17 3dyp h ARG 448 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3dyp h ARG 448 Cb 0.64 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.72 3dyp h ARG 448 CO 0.00 0.00 -0.12 0.09 0.10 0.00 0.00 179.97 180.04 3dyp n ASN 449 N -3.07 1.96 -4.68 0.08 3.02 -1.26 -4.85 115.26 106.46 3dyp n ASN 449 Ca -0.01 -1.55 -0.42 0.00 -0.03 0.00 0.00 54.58 52.57 3dyp n ASN 449 Cb 0.35 0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.59 3dyp n ASN 449 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3dyp s HIS 450 N -2.16 3.47 0.39 3.10 3.76 -0.71 -4.86 115.29 118.28 3dyp s HIS 450 Ca 0.30 1.53 0.15 0.00 -0.15 0.00 0.00 55.06 56.88 3dyp s HIS 450 Cb 0.20 -3.19 0.86 0.00 1.11 0.00 0.00 32.58 31.56 3dyp s HIS 450 CO 0.39 -0.28 1.89 -1.00 -0.85 0.00 0.00 174.74 174.89 3dyp h PRO 451 N 7.20 0.00 0.00 8.40 0.13 -1.88 -2.54 132.00 143.30 3dyp h PRO 451 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 3dyp h PRO 451 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 3dyp h PRO 451 CO 0.88 0.30 -0.12 0.66 -0.23 0.00 0.00 178.00 179.49 3dyp h SER 452 N 0.00 0.00 -2.85 1.44 4.64 -1.86 -3.39 113.55 111.52 3dyp h SER 452 Ca -0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.75 3dyp h SER 452 Cb 0.55 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.61 3dyp h SER 452 CO 0.04 0.12 1.02 -0.69 -0.87 0.00 0.00 176.83 176.45 3dyp s VAL 453 N -4.64 3.93 -0.17 0.95 1.01 -0.96 0.25 120.40 120.77 3dyp s VAL 453 Ca -0.04 1.09 0.05 0.00 0.00 0.00 0.00 61.98 63.08 3dyp s VAL 453 Cb 0.15 -3.83 -0.07 0.00 0.00 0.00 0.00 36.38 32.64 3dyp s VAL 453 CO 0.66 -0.24 0.19 2.30 0.00 0.00 0.00 175.10 178.01 3dyp n ILE 454 N 5.89 0.00 -3.79 2.22 -5.35 -0.54 -4.89 119.36 112.90 3dyp n ILE 454 Ca 0.16 -0.30 -0.13 0.00 -0.27 0.00 0.00 62.75 62.22 3dyp n ILE 454 Cb 0.45 0.80 -0.13 0.00 -1.74 0.00 0.00 39.64 39.02 3dyp n ILE 454 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3dyp s ILE 455 N -1.78 -0.01 -0.01 7.28 1.01 -1.20 -3.92 121.20 122.57 3dyp s ILE 455 Ca 0.01 0.04 -0.04 0.00 0.00 0.00 0.00 60.65 60.66 3dyp s ILE 455 Cb 0.04 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 3dyp s ILE 455 CO 0.22 0.02 0.21 0.26 0.00 0.00 0.00 174.94 175.65 3dyp s TRP 456 N 0.37 3.56 -0.02 3.97 0.52 -0.42 -2.10 118.94 124.81 3dyp s TRP 456 Ca -0.02 0.43 0.07 0.00 0.02 0.00 0.00 56.10 56.59 3dyp s TRP 456 Cb -0.04 -1.88 -0.02 0.00 -1.15 0.00 0.00 33.47 30.39 3dyp s TRP 456 CO -0.02 0.64 -0.22 0.45 0.02 0.00 0.00 176.95 177.82 3dyp s SER 457 N -1.85 2.66 0.00 2.95 0.15 0.11 -1.00 113.70 116.71 3dyp s SER 457 Ca 0.27 -0.41 0.17 0.00 0.70 0.00 0.00 55.95 56.68 3dyp s SER 457 Cb -0.13 -0.36 1.00 0.00 -1.71 0.00 0.00 66.02 64.82 3dyp s SER 457 CO 0.18 0.27 1.53 0.18 1.20 0.00 0.00 173.24 176.59 3dyp n LEU 458 N 2.60 0.00 0.00 3.45 4.77 -1.02 -1.33 117.00 125.47 3dyp n LEU 458 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3dyp n LEU 458 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3dyp n LEU 458 CO 0.24 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3dyp n GLY 459 N 0.53 0.75 3.21 -0.72 0.00 -1.25 -4.63 105.19 103.08 3dyp n GLY 459 Ca 0.13 -2.08 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 3dyp n GLY 459 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dyp s ASN 460 N -4.00 -0.17 -0.87 1.61 2.47 -0.34 -4.74 114.94 108.90 3dyp s ASN 460 Ca 0.00 0.12 -0.20 0.00 0.42 0.00 0.00 52.86 53.20 3dyp s ASN 460 Cb 0.00 0.34 0.03 0.00 -1.45 0.00 0.00 41.25 40.17 3dyp s ASN 460 CO 0.00 -0.38 0.52 -0.62 -3.72 0.00 0.00 177.10 172.90 3dyp n GLU 461 N 1.57 -0.63 -0.49 0.43 1.02 -1.26 -4.03 120.64 117.24 3dyp n GLU 461 Ca -0.20 0.13 0.06 0.00 -0.02 0.00 0.00 57.16 57.13 3dyp n GLU 461 Cb 0.56 -1.73 0.10 0.00 -0.02 0.00 0.00 31.44 30.34 3dyp n GLU 461 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3dyp n SER 462 N -1.64 1.37 -0.18 1.62 7.64 -1.26 -1.57 113.62 119.59 3dyp n SER 462 Ca -0.14 -2.78 0.00 0.00 1.01 0.00 0.00 58.87 56.96 3dyp n SER 462 Cb 0.48 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 3dyp n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dyp n GLY 463 N -0.70 -0.10 2.93 0.23 0.00 -1.25 -3.79 105.19 102.50 3dyp n GLY 463 Ca 0.11 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.83 3dyp n GLY 463 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dyp s HIS 464 N 0.00 2.16 0.29 1.61 2.46 -1.26 -3.50 115.29 117.04 3dyp s HIS 464 Ca 0.00 -1.51 0.12 0.00 0.47 0.00 0.00 55.06 54.13 3dyp s HIS 464 Cb 0.00 -1.50 -0.05 0.00 -0.13 0.00 0.00 32.58 30.90 3dyp s HIS 464 CO 0.00 -0.72 -0.18 0.20 -2.47 0.00 0.00 174.74 171.56 3dyp s GLY 465 N 1.48 1.91 0.58 1.59 0.00 -1.26 -4.82 107.32 106.81 3dyp s GLY 465 Ca -0.03 -1.89 0.28 0.00 0.00 0.00 0.00 44.72 43.08 3dyp s GLY 465 CO -0.07 -1.97 2.23 0.00 0.00 0.00 0.00 173.10 173.29 3dyp h ALA 466 N 2.23 1.61 -0.14 3.20 0.00 -1.80 0.13 119.26 124.49 3dyp h ALA 466 Ca -0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3dyp h ALA 466 Cb 1.26 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 3dyp h ALA 466 CO 0.61 -0.04 0.00 -0.91 0.00 0.00 0.00 179.25 178.91 3dyp h ASN 467 N 0.00 0.18 -0.52 0.00 2.35 -1.70 -1.02 115.58 114.88 3dyp h ASN 467 Ca 0.01 -0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.63 3dyp h ASN 467 Cb 0.06 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 3dyp h ASN 467 CO -0.00 0.22 -0.11 0.45 -1.65 0.00 0.00 177.43 176.34 3dyp h HIS 468 N 0.20 1.12 -0.55 1.19 3.86 -0.92 -1.69 115.15 118.36 3dyp h HIS 468 Ca 0.05 -0.23 -0.11 0.00 -1.16 0.00 0.00 60.37 58.92 3dyp h HIS 468 Cb 0.14 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 3dyp h HIS 468 CO 0.00 1.04 -0.08 -0.44 0.86 0.00 0.00 177.93 179.32 3dyp h ASP 469 N 0.90 1.01 -0.63 2.45 3.32 -1.10 0.43 116.42 122.80 3dyp h ASP 469 Ca 0.14 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.83 3dyp h ASP 469 Cb 0.67 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 3dyp h ASP 469 CO 0.05 1.11 0.23 0.00 -1.72 0.00 0.00 179.24 178.90 3dyp h ALA 470 N 0.99 0.82 -0.24 3.45 0.00 -1.07 -1.73 119.26 121.48 3dyp h ALA 470 Ca 0.15 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 3dyp h ALA 470 Cb 0.64 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3dyp h ALA 470 CO 0.04 0.46 -0.55 -0.07 0.00 0.00 0.00 179.25 179.13 3dyp h LEU 471 N 0.89 0.79 -0.22 0.00 3.38 -1.08 -1.48 115.31 117.59 3dyp h LEU 471 Ca 0.21 -0.42 0.06 0.00 0.09 0.00 0.00 57.88 57.81 3dyp h LEU 471 Cb 0.24 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.70 3dyp h LEU 471 CO -0.01 1.18 -0.20 0.22 0.09 0.00 0.00 178.44 179.72 3dyp h TYR 472 N 0.55 -0.51 -0.69 1.13 3.20 -0.85 -1.12 116.97 118.68 3dyp h TYR 472 Ca 0.01 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.93 3dyp h TYR 472 Cb 1.13 0.26 -0.04 0.00 1.54 0.00 0.00 36.73 39.62 3dyp h TYR 472 CO 0.06 -0.27 0.45 -0.09 -1.64 0.00 0.00 178.16 176.66 3dyp h ARG 473 N -0.21 0.87 -0.17 1.82 9.65 -1.15 -0.98 114.38 124.21 3dyp h ARG 473 Ca 0.13 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.99 3dyp h ARG 473 Cb 0.40 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 28.75 3dyp h ARG 473 CO -0.34 0.57 -0.05 2.35 2.80 0.00 0.00 179.97 185.31 3dyp h TRP 474 N 0.89 -0.11 -0.39 2.20 7.01 -0.91 0.11 115.95 124.77 3dyp h TRP 474 Ca 0.27 0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.26 3dyp h TRP 474 Cb -0.05 0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.07 3dyp h TRP 474 CO -0.03 -0.08 0.14 0.82 -2.79 0.00 0.00 178.44 176.50 3dyp h ILE 475 N -0.01 1.20 -0.41 2.65 2.04 -0.84 -0.23 117.51 121.92 3dyp h ILE 475 Ca 0.09 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.34 3dyp h ILE 475 Cb 0.14 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 3dyp h ILE 475 CO -0.18 0.23 0.27 0.11 0.00 0.00 0.00 178.15 178.57 3dyp h LYS 476 N 0.48 0.40 -0.01 2.37 1.79 -0.76 0.40 116.57 121.24 3dyp h LYS 476 Ca 0.13 -0.02 -0.20 0.00 -2.18 0.00 0.00 60.65 58.38 3dyp h LYS 476 Cb 0.21 -0.09 0.02 0.00 -1.58 0.00 0.00 32.23 30.79 3dyp h LYS 476 CO -0.01 0.26 -0.76 0.77 -1.08 0.00 0.00 179.45 178.63 3dyp h SER 477 N 0.41 0.70 0.44 0.86 0.02 -0.07 -3.31 113.55 112.60 3dyp h SER 477 Ca 0.17 -0.74 -0.20 0.00 -0.84 0.00 0.00 61.79 60.18 3dyp h SER 477 Cb 0.16 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3dyp h SER 477 CO -0.04 1.34 -0.85 0.58 -1.14 0.00 0.00 176.83 176.72 3dyp h VAL 478 N 0.12 1.44 -2.21 2.27 2.07 -0.27 -3.41 116.25 116.26 3dyp h VAL 478 Ca -0.09 -2.44 -0.47 0.00 0.82 0.00 0.00 66.70 64.51 3dyp h VAL 478 Cb 1.44 2.36 -0.34 0.00 -1.52 0.00 0.00 31.29 33.23 3dyp h VAL 478 CO 0.15 0.72 -0.78 -0.62 0.02 0.00 0.00 177.57 177.06 3dyp s ASP 479 N -6.98 1.76 0.00 0.57 2.15 0.13 -4.95 116.67 109.36 3dyp s ASP 479 Ca -0.04 -2.04 0.24 0.00 0.43 0.00 0.00 52.55 51.13 3dyp s ASP 479 Cb 0.10 0.11 1.27 0.00 -0.30 0.00 0.00 42.92 44.10 3dyp s ASP 479 CO 0.84 -0.25 1.78 -0.81 -0.17 0.00 0.00 175.17 176.56 3dyp n PRO 480 N 3.90 0.48 0.07 4.34 -0.04 -1.25 -3.54 135.00 138.97 3dyp n PRO 480 Ca 0.15 0.04 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 3dyp n PRO 480 Cb 0.43 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.85 3dyp n PRO 480 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3dyp n SER 481 N -1.19 0.47 -3.97 3.54 3.41 -1.26 -4.79 113.62 109.83 3dyp n SER 481 Ca 0.13 0.57 -0.18 0.00 -0.26 0.00 0.00 58.87 59.14 3dyp n SER 481 Cb 0.15 -0.69 -0.15 0.00 -0.26 0.00 0.00 64.21 63.26 3dyp n SER 481 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3dyp s ARG 482 N -3.13 0.61 0.87 4.33 0.52 -1.23 -4.23 118.95 116.69 3dyp s ARG 482 Ca 0.09 -0.23 -0.10 0.00 -0.52 0.00 0.00 55.73 54.97 3dyp s ARG 482 Cb 0.12 -0.59 0.11 0.00 0.52 0.00 0.00 34.95 35.12 3dyp s ARG 482 CO 0.47 0.11 1.12 -2.14 0.02 0.00 0.00 175.30 174.88 3dyp s PRO 483 N 0.01 1.45 -0.08 3.54 0.02 -1.25 -4.75 135.00 133.93 3dyp s PRO 483 Ca 0.00 1.32 0.04 0.00 0.02 0.00 0.00 61.00 62.39 3dyp s PRO 483 Cb -0.05 -1.79 -0.01 0.00 0.02 0.00 0.00 34.50 32.67 3dyp s PRO 483 CO -0.00 -2.26 -0.23 0.08 -0.33 0.00 0.00 177.00 174.27 3dyp s VAL 484 N -2.76 2.22 0.24 3.83 1.01 -1.26 -1.30 120.40 122.38 3dyp s VAL 484 Ca 0.64 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.71 3dyp s VAL 484 Cb -0.20 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 3dyp s VAL 484 CO 0.57 0.56 -0.10 0.00 0.00 0.00 0.00 175.10 176.14 3dyp s GLN 485 N 0.08 1.42 -0.29 2.72 -2.07 -0.17 0.37 119.66 121.71 3dyp s GLN 485 Ca -0.10 -1.67 -0.16 0.00 -1.82 0.00 0.00 55.36 51.60 3dyp s GLN 485 Cb -0.16 -1.09 0.15 0.00 -1.09 0.00 0.00 33.01 30.82 3dyp s GLN 485 CO 0.06 0.10 1.01 -0.47 -1.32 0.00 0.00 175.29 174.67 3dyp s TYR 486 N -3.02 -0.51 -0.20 9.60 5.04 -1.26 -2.44 117.35 124.56 3dyp s TYR 486 Ca 0.26 1.03 0.22 0.00 -2.44 0.00 0.00 57.07 56.14 3dyp s TYR 486 Cb 0.02 0.31 -0.05 0.00 0.35 0.00 0.00 41.96 42.59 3dyp s TYR 486 CO 0.09 -0.25 0.96 -1.91 -1.34 0.00 0.00 175.55 173.09 3dyp n GLU 487 N 3.60 0.61 -1.59 4.97 0.00 -1.26 -4.62 120.64 122.34 3dyp n GLU 487 Ca -0.18 0.11 -0.39 0.00 0.00 0.00 0.00 57.16 56.70 3dyp n GLU 487 Cb 0.57 -1.80 0.04 0.00 0.00 0.00 0.00 31.44 30.26 3dyp n GLU 487 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3dyp n GLY 488 N 1.22 -0.48 2.24 8.31 0.00 -1.26 -0.16 105.19 115.05 3dyp n GLY 488 Ca -0.02 -0.08 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 3dyp n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dyp n GLY 489 N 1.34 0.51 0.00 -0.02 0.00 -1.23 -3.85 105.19 101.94 3dyp n GLY 489 Ca 0.12 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3dyp n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dyp n GLY 490 N -1.35 1.20 3.63 -0.02 0.00 -1.20 -4.74 105.19 102.71 3dyp n GLY 490 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 3dyp n GLY 490 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dyp n ALA 491 N -0.15 0.00 -2.59 4.61 0.00 0.77 -4.68 120.51 118.48 3dyp n ALA 491 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 3dyp n ALA 491 Cb 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 19.45 18.93 3dyp n ALA 491 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3dyp n ASP 492 N 0.00 0.97 -3.95 0.00 5.68 -1.26 -1.80 116.55 116.19 3dyp n ASP 492 Ca 0.00 -2.02 -0.30 0.00 -0.50 0.00 0.00 54.79 51.98 3dyp n ASP 492 Cb 0.00 -0.29 0.22 0.00 -1.14 0.00 0.00 41.12 39.91 3dyp n ASP 492 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3dyp s THR 493 N -1.30 1.76 -1.43 2.12 -4.23 -1.26 -4.91 115.64 106.40 3dyp s THR 493 Ca 0.28 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.94 3dyp s THR 493 Cb 0.34 -2.70 0.25 0.00 1.34 0.00 0.00 72.50 71.73 3dyp s THR 493 CO -0.11 0.00 1.38 0.35 -0.54 0.00 0.00 174.62 175.70 3dyp n THR 494 N -4.36 0.61 -0.74 3.99 -2.24 -1.26 -2.82 114.28 107.46 3dyp n THR 494 Ca 0.14 0.15 0.07 0.00 -2.27 0.00 0.00 64.05 62.14 3dyp n THR 494 Cb 0.59 -0.92 0.38 0.00 -2.10 0.00 0.00 70.33 68.28 3dyp n THR 494 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dyp n ALA 495 N -1.29 3.71 -3.13 6.98 0.00 -1.26 -4.94 120.51 120.59 3dyp n ALA 495 Ca 0.07 -1.76 -0.13 0.00 0.00 0.00 0.00 53.44 51.63 3dyp n ALA 495 Cb 0.11 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.32 3dyp n ALA 495 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3dyp s THR 496 N -2.55 -0.01 -1.01 0.00 -1.32 -1.13 -4.09 115.64 105.55 3dyp s THR 496 Ca 0.51 0.04 0.26 0.00 -1.21 0.00 0.00 61.69 61.29 3dyp s THR 496 Cb 0.38 -0.17 0.08 0.00 -1.51 0.00 0.00 72.50 71.28 3dyp s THR 496 CO 0.16 0.01 1.57 0.47 -2.21 0.00 0.00 174.62 174.62 3dyp n ASP 497 N 3.25 0.36 -4.06 8.08 8.00 0.16 -4.83 116.55 127.51 3dyp n ASP 497 Ca -0.15 -0.04 -0.24 0.00 0.71 0.00 0.00 54.79 55.07 3dyp n ASP 497 Cb 0.58 0.03 -0.16 0.00 -0.02 0.00 0.00 41.12 41.55 3dyp n ASP 497 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3dyp s ILE 498 N -3.00 1.13 -0.18 0.53 1.01 -1.26 -4.48 121.20 114.96 3dyp s ILE 498 Ca 0.12 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.95 3dyp s ILE 498 Cb 0.18 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 3dyp s ILE 498 CO 0.65 0.34 1.35 -0.63 0.00 0.00 0.00 174.94 176.65 3dyp s ILE 499 N 0.26 4.12 -0.46 2.92 1.01 0.48 -4.67 121.20 124.86 3dyp s ILE 499 Ca -0.06 1.33 0.09 0.00 0.00 0.00 0.00 60.65 62.00 3dyp s ILE 499 Cb -0.12 -3.93 0.32 0.00 0.01 0.00 0.00 42.46 38.75 3dyp s ILE 499 CO 0.02 -0.19 0.75 0.00 0.00 0.00 0.00 174.94 175.52 3dyp s PRO 501 N -2.47 1.21 -0.22 0.00 0.04 -1.26 -3.56 135.00 128.74 3dyp s PRO 501 Ca 0.41 1.05 -0.02 0.00 0.04 0.00 0.00 61.00 62.48 3dyp s PRO 501 Cb 0.28 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 33.04 3dyp s PRO 501 CO -0.09 -2.33 -0.07 0.00 0.04 0.00 0.00 177.00 174.54 3dyp s MET 502 N -4.82 3.14 -0.89 4.56 0.23 -1.26 -1.32 119.30 118.94 3dyp s MET 502 Ca 0.64 -0.77 0.00 0.00 -1.03 0.00 0.00 55.69 54.53 3dyp s MET 502 Cb -0.19 -2.93 0.00 0.00 -1.53 0.00 0.00 34.83 30.18 3dyp s MET 502 CO 0.58 -0.27 0.00 0.66 -2.03 0.00 0.00 175.02 173.96 3dyp n TYR 503 N 4.73 -0.13 -2.44 3.16 4.02 0.09 -4.96 117.16 121.63 3dyp n TYR 503 Ca -0.18 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.33 3dyp n TYR 503 Cb 0.49 -1.92 -0.03 0.00 -0.02 0.00 0.00 39.34 37.86 3dyp n TYR 503 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3dyp s ALA 504 N -2.36 3.22 0.59 -0.72 0.00 -1.26 -4.89 121.76 116.33 3dyp s ALA 504 Ca 0.00 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 52.76 3dyp s ALA 504 Cb 0.00 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.81 3dyp s ALA 504 CO 0.00 -0.30 0.89 1.03 0.00 0.00 0.00 175.76 177.39 3dyp s ARG 505 N -2.08 2.81 -0.05 0.00 0.52 -1.26 -4.81 118.95 114.08 3dyp s ARG 505 Ca 0.53 -0.11 -0.21 0.00 -0.52 0.00 0.00 55.73 55.42 3dyp s ARG 505 Cb -0.28 -2.29 -0.15 0.00 0.52 0.00 0.00 34.95 32.75 3dyp s ARG 505 CO 0.36 -0.74 0.85 0.28 0.02 0.00 0.00 175.30 176.07 3dyp h VAL 506 N -0.18 0.82 0.00 3.52 2.07 -1.94 -1.33 116.25 119.21 3dyp h VAL 506 Ca -0.45 -1.12 -0.09 0.00 0.82 0.00 0.00 66.70 65.86 3dyp h VAL 506 Cb 1.27 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3dyp h VAL 506 CO 0.60 0.21 -1.72 0.47 0.02 0.00 0.00 177.57 177.15 3dyp n ASP 507 N -4.92 1.86 -4.68 0.57 8.00 -1.26 -3.16 116.55 112.96 3dyp n ASP 507 Ca -0.08 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.03 3dyp n ASP 507 Cb 0.26 1.32 -0.06 0.00 -0.02 0.00 0.00 41.12 42.62 3dyp n ASP 507 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3dyp s GLU 508 N -2.71 4.24 0.35 -1.24 2.12 -1.26 -4.71 118.70 115.49 3dyp s GLU 508 Ca -0.05 0.49 -0.22 0.00 0.36 0.00 0.00 54.97 55.55 3dyp s GLU 508 Cb 0.07 -3.54 -0.10 0.00 0.26 0.00 0.00 34.13 30.82 3dyp s GLU 508 CO 0.55 -0.10 0.89 -0.51 -0.54 0.00 0.00 175.26 175.55 3dyp s ASP 509 N 1.04 7.07 -0.40 -1.70 1.01 -1.26 -3.77 116.67 118.66 3dyp s ASP 509 Ca 0.26 1.64 0.01 0.00 0.71 0.00 0.00 52.55 55.18 3dyp s ASP 509 Cb -0.16 -2.51 0.14 0.00 1.01 0.00 0.00 42.92 41.40 3dyp s ASP 509 CO 0.10 -0.19 0.23 -1.10 0.21 0.00 0.00 175.17 174.43 3dyp s GLN 510 N -2.61 0.97 -1.42 8.23 -0.21 -0.06 -4.90 119.66 119.66 3dyp s GLN 510 Ca 0.54 -1.73 -0.07 0.00 0.02 0.00 0.00 55.36 54.11 3dyp s GLN 510 Cb -0.13 -1.86 0.02 0.00 1.00 0.00 0.00 33.01 32.03 3dyp s GLN 510 CO 0.18 -1.19 2.68 -0.35 -2.12 0.00 0.00 175.29 174.49 3dyp n PRO 511 N 3.71 4.11 -1.75 2.91 -0.04 -1.26 0.11 135.00 142.79 3dyp n PRO 511 Ca 0.11 -2.83 -0.39 0.00 -0.04 0.00 0.00 63.50 60.34 3dyp n PRO 511 Cb 0.36 -2.68 0.03 0.00 -0.04 0.00 0.00 33.50 31.17 3dyp n PRO 511 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3dyp n PHE 512 N 2.54 2.45 -1.86 0.54 0.99 -1.26 -4.81 117.46 116.05 3dyp n PHE 512 Ca 0.69 0.44 -0.40 0.00 -0.00 0.00 0.00 57.45 58.18 3dyp n PHE 512 Cb 0.26 -2.40 0.01 0.00 -1.00 0.00 0.00 39.48 36.34 3dyp n PHE 512 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.76 175.51 3dyp s PRO 513 N -2.65 3.89 0.00 -1.08 0.04 -1.26 -1.56 135.00 132.38 3dyp s PRO 513 Ca 0.66 2.41 0.00 0.00 0.04 0.00 0.00 61.00 64.11 3dyp s PRO 513 Cb -0.44 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.32 3dyp s PRO 513 CO 0.53 -0.65 0.00 0.00 0.04 0.00 0.00 177.00 176.92 3dyp n ALA 514 N 0.09 0.00 -3.03 8.56 0.00 -1.26 -4.46 120.51 120.41 3dyp n ALA 514 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.26 3dyp n ALA 514 Cb 0.41 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.83 3dyp n ALA 514 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3dyp n VAL 515 N 0.00 1.39 -1.72 0.00 0.24 -1.19 -4.82 118.33 112.22 3dyp n VAL 515 Ca 0.00 -4.97 -0.36 0.00 -2.04 0.00 0.00 64.34 56.97 3dyp n VAL 515 Cb 0.00 -0.75 0.07 0.00 -1.47 0.00 0.00 33.84 31.68 3dyp n VAL 515 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3dyp s PRO 516 N -2.96 2.54 -0.56 7.34 0.04 -0.60 -4.55 135.00 136.25 3dyp s PRO 516 Ca 0.44 1.90 -0.05 0.00 0.04 0.00 0.00 61.00 63.33 3dyp s PRO 516 Cb 0.33 -1.87 0.15 0.00 0.04 0.00 0.00 34.50 33.15 3dyp s PRO 516 CO -0.11 -1.56 0.39 0.15 0.04 0.00 0.00 177.00 175.92 3dyp s LYS 517 N -3.53 2.48 0.66 4.56 1.02 0.12 -4.88 119.74 120.18 3dyp s LYS 517 Ca 0.79 -2.23 -0.14 0.00 0.02 0.00 0.00 55.97 54.40 3dyp s LYS 517 Cb -0.33 -3.78 0.00 0.00 -0.52 0.00 0.00 37.83 33.21 3dyp s LYS 517 CO 0.39 -1.16 1.08 -1.58 -0.92 0.00 0.00 175.35 173.17 3dyp s TRP 518 N 0.47 2.80 0.30 3.18 0.52 -1.26 -0.89 118.94 124.07 3dyp s TRP 518 Ca 0.13 1.52 -0.28 0.00 0.02 0.00 0.00 56.10 57.49 3dyp s TRP 518 Cb -0.21 -3.05 -0.13 0.00 -1.15 0.00 0.00 33.47 28.93 3dyp s TRP 518 CO -0.04 -1.46 1.17 0.45 0.02 0.00 0.00 176.95 177.09 3dyp n SER 519 N -2.61 2.04 0.16 2.95 2.88 -1.25 -4.41 113.62 113.39 3dyp n SER 519 Ca 0.09 1.19 0.04 0.00 -1.33 0.00 0.00 58.87 58.86 3dyp n SER 519 Cb 0.53 -1.38 0.46 0.00 -0.75 0.00 0.00 64.21 63.06 3dyp n SER 519 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 3dyp h ILE 520 N 2.34 1.14 -0.47 2.46 3.07 -1.19 0.02 117.51 124.88 3dyp h ILE 520 Ca -0.43 -0.62 -0.12 0.00 1.55 0.00 0.00 64.86 65.23 3dyp h ILE 520 Cb 1.31 1.20 -0.01 0.00 -0.27 0.00 0.00 36.82 39.05 3dyp h ILE 520 CO 0.63 0.19 -0.19 0.11 -1.05 0.00 0.00 178.15 177.84 3dyp h LYS 521 N 0.14 0.95 -0.13 0.16 1.57 -1.84 -3.01 116.57 114.40 3dyp h LYS 521 Ca 0.03 -0.38 -0.17 0.00 -1.87 0.00 0.00 60.65 58.26 3dyp h LYS 521 Cb 0.30 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3dyp h LYS 521 CO 0.02 1.05 -0.63 -0.22 -0.57 0.00 0.00 179.45 179.09 3dyp h LYS 522 N 0.83 0.47 -0.59 3.15 3.64 -1.59 -3.25 116.57 119.21 3dyp h LYS 522 Ca 0.11 -0.33 0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3dyp h LYS 522 Cb 0.75 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.56 3dyp h LYS 522 CO 0.06 0.95 0.25 2.35 -2.27 0.00 0.00 179.45 180.79 3dyp h TRP 523 N 0.34 0.45 -0.96 1.91 2.91 -0.91 -1.99 115.95 117.71 3dyp h TRP 523 Ca -0.01 0.03 0.13 0.00 1.13 0.00 0.00 58.89 60.17 3dyp h TRP 523 Cb 1.18 -0.11 -0.09 0.00 -0.51 0.00 0.00 29.16 29.63 3dyp h TRP 523 CO 0.04 0.16 0.58 -0.07 -1.03 0.00 0.00 178.44 178.12 3dyp h LEU 524 N 0.47 0.80 -2.89 0.65 3.38 -1.57 -2.44 115.31 113.72 3dyp h LEU 524 Ca 0.29 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3dyp h LEU 524 Cb 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dyp h LEU 524 CO -0.25 0.39 0.00 -1.54 0.09 0.00 0.00 178.44 177.13 3dyp n SER 525 N -4.70 4.45 -4.61 -0.43 3.41 -0.76 -4.52 113.62 106.45 3dyp n SER 525 Ca 0.19 -2.44 -0.38 0.00 -0.26 0.00 0.00 58.87 55.98 3dyp n SER 525 Cb 0.40 -0.56 0.05 0.00 -0.26 0.00 0.00 64.21 63.83 3dyp n SER 525 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3dyp n LEU 526 N 0.98 3.53 -4.59 1.04 4.77 -0.92 -4.75 117.00 117.06 3dyp n LEU 526 Ca 0.24 0.84 -0.52 0.00 -0.03 0.00 0.00 56.01 56.54 3dyp n LEU 526 Cb 0.85 -1.39 -0.06 0.00 -2.33 0.00 0.00 43.42 40.49 3dyp n LEU 526 CO 0.23 -1.80 0.90 -2.65 -1.33 0.00 0.00 177.39 172.74 3dyp n PRO 527 N -0.83 1.15 0.00 3.23 -0.02 -1.26 -0.06 135.00 137.21 3dyp n PRO 527 Ca 0.13 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 3dyp n PRO 527 Cb 0.46 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 3dyp n PRO 527 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dyp n GLY 528 N 2.51 2.71 3.77 -1.23 0.00 -1.26 -5.01 105.19 106.68 3dyp n GLY 528 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3dyp n GLY 528 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dyp s GLU 529 N 0.00 4.59 0.00 1.61 2.56 0.91 -4.92 118.70 123.45 3dyp s GLU 529 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 54.97 56.48 3dyp s GLU 529 Cb 0.00 -2.96 0.00 0.00 2.00 0.00 0.00 34.13 33.17 3dyp s GLU 529 CO 0.00 0.25 0.01 0.25 -0.56 0.00 0.00 175.26 175.21 3dyp n THR 530 N 0.82 0.00 -1.33 -1.70 -2.24 -1.26 -4.78 114.28 103.79 3dyp n THR 530 Ca 0.01 -0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.46 3dyp n THR 530 Cb 0.48 1.49 0.08 0.00 -2.10 0.00 0.00 70.33 70.28 3dyp n THR 530 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3dyp s ARG 531 N -0.02 2.41 0.71 -0.78 0.52 -1.26 -3.92 118.95 116.61 3dyp s ARG 531 Ca 0.00 1.12 -0.11 0.00 -0.52 0.00 0.00 55.73 56.22 3dyp s ARG 531 Cb 0.00 -1.92 0.02 0.00 0.52 0.00 0.00 34.95 33.57 3dyp s ARG 531 CO 0.00 -1.52 1.07 -1.25 0.02 0.00 0.00 175.30 173.61 3dyp s PRO 532 N -4.93 2.79 -0.11 3.54 0.04 -1.05 -4.78 135.00 130.50 3dyp s PRO 532 Ca 0.60 0.84 -0.00 0.00 0.04 0.00 0.00 61.00 62.48 3dyp s PRO 532 Cb -0.16 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.42 3dyp s PRO 532 CO 0.56 -1.17 -0.08 -1.17 0.04 0.00 0.00 177.00 175.17 3dyp s LEU 533 N -5.56 1.26 -0.12 -3.56 0.20 -0.13 -0.38 118.68 110.38 3dyp s LEU 533 Ca 0.58 -0.30 -0.02 0.00 0.69 0.00 0.00 54.13 55.09 3dyp s LEU 533 Cb -0.14 -0.84 0.04 0.00 -0.43 0.00 0.00 46.19 44.82 3dyp s LEU 533 CO 0.55 -0.10 -0.00 -0.63 -0.29 0.00 0.00 176.35 175.88 3dyp s ILE 534 N 1.54 0.58 0.12 6.68 1.01 -0.51 -1.21 121.20 129.41 3dyp s ILE 534 Ca 0.02 -0.21 -0.31 0.00 0.00 0.00 0.00 60.65 60.15 3dyp s ILE 534 Cb -0.13 -0.82 -0.09 0.00 0.01 0.00 0.00 42.46 41.43 3dyp s ILE 534 CO -0.06 0.12 1.63 -0.76 0.00 0.00 0.00 174.94 175.87 3dyp s LEU 535 N 1.87 4.37 0.34 2.97 1.02 -0.78 -4.24 118.68 124.22 3dyp s LEU 535 Ca 0.03 2.57 0.15 0.00 0.02 0.00 0.00 54.13 56.89 3dyp s LEU 535 Cb -0.14 -3.58 0.58 0.00 0.02 0.00 0.00 46.19 43.07 3dyp s LEU 535 CO -0.07 -0.87 1.71 0.00 0.02 0.00 0.00 176.35 177.14 3dyp s GLU 537 N -3.70 0.34 0.22 0.00 2.02 -1.21 -4.23 118.70 112.14 3dyp s GLU 537 Ca -0.01 0.45 -0.22 0.00 0.02 0.00 0.00 54.97 55.21 3dyp s GLU 537 Cb 0.12 0.13 0.04 0.00 0.10 0.00 0.00 34.13 34.52 3dyp s GLU 537 CO 0.72 -0.06 0.75 1.52 0.02 0.00 0.00 175.26 178.21 3dyp s TYR 538 N 0.35 -0.25 -0.80 1.61 -0.85 -0.85 -0.73 117.35 115.83 3dyp s TYR 538 Ca -0.02 -0.13 -0.01 0.00 -0.52 0.00 0.00 57.07 56.39 3dyp s TYR 538 Cb -0.03 0.66 -0.00 0.00 0.38 0.00 0.00 41.96 42.97 3dyp s TYR 538 CO -0.01 -1.06 0.67 0.00 -1.52 0.00 0.00 175.55 173.63 3dyp n ALA 539 N -0.44 -2.62 -1.83 9.51 0.00 -1.26 -1.43 120.51 122.44 3dyp n ALA 539 Ca -0.07 -0.11 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 3dyp n ALA 539 Cb 0.60 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.59 3dyp n ALA 539 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3dyp s HIS 540 N -3.03 1.48 -0.14 0.00 2.46 -0.61 -3.74 115.29 111.71 3dyp s HIS 540 Ca 0.04 0.88 0.00 0.00 0.47 0.00 0.00 55.06 56.44 3dyp s HIS 540 Cb -0.01 -3.95 0.14 0.00 -0.13 0.00 0.00 32.58 28.63 3dyp s HIS 540 CO 0.81 -2.89 1.65 0.00 -2.47 0.00 0.00 174.74 171.84 3dyp n ALA 541 N 12.52 3.99 -2.42 1.58 0.00 0.71 -4.35 120.51 132.53 3dyp n ALA 541 Ca 0.27 -0.81 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 3dyp n ALA 541 Cb 0.50 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.77 3dyp n ALA 541 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3dyp s MET 542 N -0.90 3.63 6.30 0.00 0.00 -1.25 -3.72 119.30 123.37 3dyp s MET 542 Ca 0.15 0.85 0.00 0.00 0.00 0.00 0.00 55.69 56.69 3dyp s MET 542 Cb 0.12 -3.99 0.00 0.00 0.00 0.00 0.00 34.83 30.97 3dyp s MET 542 CO 0.01 -1.49 0.00 0.41 0.00 0.00 0.00 175.02 173.95 3dyp n GLY 543 N 4.97 2.77 3.55 2.11 0.00 -1.26 -4.20 105.19 113.13 3dyp n GLY 543 Ca 0.15 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 3dyp n GLY 543 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dyp s ASN 544 N -4.00 6.22 0.00 1.61 3.84 -1.26 -4.86 114.94 116.49 3dyp s ASN 544 Ca 0.00 -0.71 0.00 0.00 0.21 0.00 0.00 52.86 52.36 3dyp s ASN 544 Cb 0.00 -2.56 0.00 0.00 -0.55 0.00 0.00 41.25 38.14 3dyp s ASN 544 CO 0.00 -1.77 0.00 -0.24 -2.79 0.00 0.00 177.10 172.30 3dyp n SER 545 N 9.40 0.00 0.00 -4.21 2.88 -1.26 -4.76 113.62 115.67 3dyp n SER 545 Ca 0.12 -0.43 0.00 0.00 -1.33 0.00 0.00 58.87 57.24 3dyp n SER 545 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 3dyp n SER 545 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3dyp n LEU 546 N 0.00 0.00 -4.71 2.46 4.32 -1.21 -4.76 117.00 113.10 3dyp n LEU 546 Ca 0.00 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.57 3dyp n LEU 546 Cb 0.00 -0.37 -0.03 0.00 -1.62 0.00 0.00 43.42 41.40 3dyp n LEU 546 CO 0.00 0.00 1.18 -0.83 -1.22 0.00 0.00 177.39 176.52 3dyp s GLY 547 N -2.09 1.72 0.00 -0.72 0.00 0.20 -2.22 107.32 104.21 3dyp s GLY 547 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 44.72 45.96 3dyp s GLY 547 CO 0.00 2.56 0.00 0.61 0.00 0.00 0.00 173.10 176.27 3dyp n GLY 548 N 3.69 0.75 0.28 0.20 0.00 0.34 -3.98 105.19 106.47 3dyp n GLY 548 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 3dyp n GLY 548 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3dyp h PHE 549 N 0.00 0.88 0.00 1.61 3.57 -1.63 -1.67 116.94 119.70 3dyp h PHE 549 Ca 0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 3dyp h PHE 549 Cb 0.00 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.45 3dyp h PHE 549 CO 0.00 0.53 -0.00 0.00 -2.23 0.00 0.00 178.31 176.61 3dyp h ALA 550 N 1.29 1.81 -0.64 2.41 0.00 -1.86 -2.09 119.26 120.18 3dyp h ALA 550 Ca 0.28 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3dyp h ALA 550 Cb -0.04 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3dyp h ALA 550 CO -0.09 0.00 0.34 -0.22 0.00 0.00 0.00 179.25 179.28 3dyp h LYS 551 N 0.00 0.89 0.10 0.00 3.64 -1.70 -1.19 116.57 118.32 3dyp h LYS 551 Ca -0.00 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3dyp h LYS 551 Cb 0.00 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3dyp h LYS 551 CO 0.00 0.67 -0.05 1.88 -2.27 0.00 0.00 179.45 179.68 3dyp h TYR 552 N 0.90 -0.13 -0.60 1.91 -1.99 -1.43 -2.65 116.97 112.99 3dyp h TYR 552 Ca 0.23 -0.00 0.06 0.00 2.00 0.00 0.00 58.73 61.01 3dyp h TYR 552 Cb 0.05 0.04 -0.05 0.00 2.00 0.00 0.00 36.73 38.76 3dyp h TYR 552 CO 0.01 0.11 0.30 -1.49 -0.00 0.00 0.00 178.16 177.09 3dyp h TRP 553 N -0.35 0.55 -0.90 4.88 4.06 -1.41 0.23 115.95 123.02 3dyp h TRP 553 Ca -0.01 0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.96 3dyp h TRP 553 Cb 0.29 -0.16 -0.04 0.00 -1.00 0.00 0.00 29.16 28.25 3dyp h TRP 553 CO -0.00 0.25 0.57 0.37 -3.56 0.00 0.00 178.44 176.06 3dyp h GLN 554 N 0.57 1.20 -0.24 0.49 -0.00 -1.21 -1.37 115.11 114.55 3dyp h GLN 554 Ca 0.27 -0.09 -0.17 0.00 -0.00 0.00 0.00 58.65 58.66 3dyp h GLN 554 Cb 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 27.48 27.43 3dyp h GLN 554 CO -0.20 0.82 -0.51 0.00 0.00 0.00 0.00 178.83 178.94 3dyp h ALA 555 N 1.40 0.39 -0.84 3.38 0.00 -0.80 -1.64 119.26 121.14 3dyp h ALA 555 Ca 0.33 -0.50 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3dyp h ALA 555 Cb -0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3dyp h ALA 555 CO -0.07 0.57 0.54 0.74 0.00 0.00 0.00 179.25 181.03 3dyp h PHE 556 N 0.51 1.01 -0.23 0.00 0.05 -0.34 -1.11 116.94 116.82 3dyp h PHE 556 Ca 0.00 0.03 -0.16 0.00 3.82 0.00 0.00 57.97 61.66 3dyp h PHE 556 Cb 1.12 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 38.73 3dyp h PHE 556 CO 0.08 0.57 -0.49 0.00 -0.18 0.00 0.00 178.31 178.29 3dyp h ARG 557 N 1.04 0.64 -0.20 1.51 3.08 -1.15 -3.30 114.38 116.00 3dyp h ARG 557 Ca 0.34 -0.37 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 3dyp h ARG 557 Cb 0.03 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3dyp h ARG 557 CO -0.12 0.98 -0.61 0.37 -1.07 0.00 0.00 179.97 179.52 3dyp h GLN 558 N 0.50 0.67 -4.59 0.04 4.15 -0.80 -3.43 115.11 111.65 3dyp h GLN 558 Ca 0.02 -0.46 -0.70 0.00 0.77 0.00 0.00 58.65 58.28 3dyp h GLN 558 Cb 1.04 0.07 -0.21 0.00 0.21 0.00 0.00 27.48 28.59 3dyp h GLN 558 CO 0.10 1.08 -0.46 0.71 -1.93 0.00 0.00 178.83 178.33 3dyp s TYR 559 N -3.95 3.23 0.20 3.99 1.51 -0.47 -4.99 117.35 116.88 3dyp s TYR 559 Ca -0.09 -0.51 -0.13 0.00 -1.01 0.00 0.00 57.07 55.33 3dyp s TYR 559 Cb 0.10 -2.53 0.24 0.00 -0.11 0.00 0.00 41.96 39.67 3dyp s TYR 559 CO 0.87 -0.52 1.65 -1.35 -1.11 0.00 0.00 175.55 175.09 3dyp h PRO 560 N 8.55 0.05 0.00 -1.71 0.11 -1.84 -1.05 132.00 136.12 3dyp h PRO 560 Ca -0.28 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3dyp h PRO 560 Cb 1.13 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3dyp h PRO 560 CO 0.69 0.03 0.00 0.54 -0.21 0.00 0.00 178.00 179.05 3dyp n ARG 561 N -5.34 0.01 -2.86 1.05 1.74 -1.26 -4.34 116.66 105.66 3dyp n ARG 561 Ca 0.07 0.22 -0.43 0.00 -0.77 0.00 0.00 57.85 56.95 3dyp n ARG 561 Cb 0.32 -1.52 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 3dyp n ARG 561 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3dyp s LEU 562 N -3.10 4.36 -0.37 0.55 1.43 -0.40 -0.96 118.68 120.20 3dyp s LEU 562 Ca 0.08 -0.90 0.07 0.00 -1.03 0.00 0.00 54.13 52.35 3dyp s LEU 562 Cb 0.11 -2.48 0.68 0.00 0.03 0.00 0.00 46.19 44.53 3dyp s LEU 562 CO 0.31 -1.39 1.80 0.00 0.23 0.00 0.00 176.35 177.30 3dyp n GLN 563 N 7.62 2.82 0.00 1.70 6.02 -0.35 -4.67 117.38 130.53 3dyp n GLN 563 Ca -0.03 -3.06 0.00 0.00 -0.01 0.00 0.00 57.00 53.90 3dyp n GLN 563 Cb 0.46 -2.14 0.00 0.00 1.02 0.00 0.00 30.24 29.58 3dyp n GLN 563 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dyp n GLY 564 N -0.73 0.13 0.00 1.08 0.00 -1.26 -0.12 105.19 104.29 3dyp n GLY 564 Ca 0.48 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.66 3dyp n GLY 564 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dyp n GLY 565 N 0.00 -1.40 3.10 -0.02 0.00 -0.86 -1.87 105.19 104.14 3dyp n GLY 565 Ca 0.00 -1.04 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 3dyp n GLY 565 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dyp s PHE 566 N -2.14 2.74 0.54 1.61 0.40 0.13 -1.08 117.98 120.19 3dyp s PHE 566 Ca 0.00 -1.66 -0.21 0.00 -0.60 0.00 0.00 56.93 54.46 3dyp s PHE 566 Cb 0.00 -1.88 -0.05 0.00 0.51 0.00 0.00 43.02 41.60 3dyp s PHE 566 CO 0.00 -0.80 1.31 0.08 0.70 0.00 0.00 175.22 176.51 3dyp s VAL 567 N 1.30 2.31 -0.38 -0.44 1.01 -0.11 -2.01 120.40 122.09 3dyp s VAL 567 Ca 0.04 0.22 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 3dyp s VAL 567 Cb -0.14 -3.11 0.07 0.00 0.00 0.00 0.00 36.38 33.20 3dyp s VAL 567 CO -0.12 -0.01 0.17 0.86 0.00 0.00 0.00 175.10 176.00 3dyp s TRP 568 N -1.38 3.34 0.00 5.22 -0.11 -0.52 -0.92 118.94 124.57 3dyp s TRP 568 Ca 0.71 -1.67 0.00 0.00 1.22 0.00 0.00 56.10 56.37 3dyp s TRP 568 Cb -0.37 -2.68 0.00 0.00 -1.50 0.00 0.00 33.47 28.92 3dyp s TRP 568 CO 0.43 -0.82 0.00 -0.40 -4.62 0.00 0.00 176.95 171.54 3dyp n ASP 569 N 4.80 0.00 0.09 5.86 5.75 -0.44 -0.21 116.55 132.41 3dyp n ASP 569 Ca -0.10 -1.00 -0.08 0.00 -0.01 0.00 0.00 54.79 53.60 3dyp n ASP 569 Cb 0.43 0.00 -0.05 0.00 -1.03 0.00 0.00 41.12 40.47 3dyp n ASP 569 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3dyp h TRP 570 N 1.00 -0.30 -4.03 2.11 2.91 -1.45 -1.11 115.95 115.07 3dyp h TRP 570 Ca 0.00 -0.01 -0.51 0.00 1.13 0.00 0.00 58.89 59.51 3dyp h TRP 570 Cb 0.00 0.10 -0.30 0.00 -0.51 0.00 0.00 29.16 28.45 3dyp h TRP 570 CO 0.00 -0.03 -0.82 0.54 -1.03 0.00 0.00 178.44 177.11 3dyp s VAL 571 N -3.05 1.18 0.27 2.65 0.11 -1.26 -0.86 120.40 119.44 3dyp s VAL 571 Ca -0.09 -0.61 -0.30 0.00 -2.93 0.00 0.00 61.98 58.05 3dyp s VAL 571 Cb 0.00 -1.01 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 3dyp s VAL 571 CO 0.30 0.34 1.59 -1.81 -3.33 0.00 0.00 175.10 172.19 3dyp s ASP 572 N -0.10 6.41 -1.29 3.54 1.01 -0.83 -4.37 116.67 121.04 3dyp s ASP 572 Ca 0.01 2.90 -0.06 0.00 0.71 0.00 0.00 52.55 56.10 3dyp s ASP 572 Cb -0.08 -2.63 0.14 0.00 1.01 0.00 0.00 42.92 41.36 3dyp s ASP 572 CO 0.01 -0.89 2.22 0.00 0.21 0.00 0.00 175.17 176.71 3dyp n GLN 573 N 2.45 4.41 -3.54 8.23 6.02 -0.17 -3.95 117.38 130.83 3dyp n GLN 573 Ca 0.09 -3.56 -0.30 0.00 -0.01 0.00 0.00 57.00 53.22 3dyp n GLN 573 Cb 0.37 -2.69 -0.04 0.00 1.02 0.00 0.00 30.24 28.91 3dyp n GLN 573 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 3dyp s SER 574 N 0.34 6.47 0.05 1.08 1.04 -1.26 -4.68 113.70 116.74 3dyp s SER 574 Ca 0.50 0.63 0.06 0.00 0.48 0.00 0.00 55.95 57.62 3dyp s SER 574 Cb 0.16 -2.11 -0.03 0.00 0.10 0.00 0.00 66.02 64.14 3dyp s SER 574 CO -0.07 -0.06 -0.14 -0.76 0.98 0.00 0.00 173.24 173.18 3dyp s LEU 575 N -3.11 2.80 0.04 2.42 1.43 -0.11 -4.43 118.68 117.73 3dyp s LEU 575 Ca 0.42 -0.36 -0.27 0.00 -1.03 0.00 0.00 54.13 52.89 3dyp s LEU 575 Cb -0.11 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 3dyp s LEU 575 CO 0.27 0.25 0.85 -0.63 0.23 0.00 0.00 176.35 177.31 3dyp s ILE 576 N -0.99 4.73 0.37 -0.59 -1.09 -0.31 -0.71 121.20 122.60 3dyp s ILE 576 Ca 0.16 1.80 0.09 0.00 -2.23 0.00 0.00 60.65 60.47 3dyp s ILE 576 Cb -0.11 -4.20 -0.07 0.00 -1.58 0.00 0.00 42.46 36.51 3dyp s ILE 576 CO 0.07 0.31 -0.02 -0.54 -1.23 0.00 0.00 174.94 173.52 3dyp s LYS 577 N 0.23 1.94 -0.03 2.79 1.02 -0.14 -4.92 119.74 120.63 3dyp s LYS 577 Ca 0.43 -1.94 0.05 0.00 0.02 0.00 0.00 55.97 54.53 3dyp s LYS 577 Cb -0.21 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.32 3dyp s LYS 577 CO 0.25 0.07 -0.17 0.71 -0.92 0.00 0.00 175.35 175.28 3dyp s TYR 578 N -2.62 2.60 0.41 3.18 1.51 -1.26 0.11 117.35 121.29 3dyp s TYR 578 Ca 0.34 -0.23 -0.03 0.00 -1.01 0.00 0.00 57.07 56.14 3dyp s TYR 578 Cb 0.04 -1.57 0.09 0.00 -0.11 0.00 0.00 41.96 40.41 3dyp s TYR 578 CO 0.18 0.15 0.57 -0.40 -1.11 0.00 0.00 175.55 174.94 3dyp n ASP 579 N 2.20 0.49 -0.02 2.29 5.68 0.11 -4.86 116.55 122.44 3dyp n ASP 579 Ca -0.17 -1.48 0.18 0.00 -0.50 0.00 0.00 54.79 52.83 3dyp n ASP 579 Cb 0.52 -0.39 0.65 0.00 -1.14 0.00 0.00 41.12 40.75 3dyp n ASP 579 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3dyp h GLU 580 N 0.00 0.09 0.00 0.11 4.39 -2.01 -1.18 114.58 115.98 3dyp h GLU 580 Ca -0.19 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3dyp h GLU 580 Cb 0.62 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 3dyp h GLU 580 CO 0.17 0.06 0.00 0.09 -1.16 0.00 0.00 179.01 178.17 3dyp n ASN 581 N -4.41 0.10 0.00 1.42 3.02 -1.26 -4.90 115.26 109.23 3dyp n ASN 581 Ca 0.10 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.16 3dyp n ASN 581 Cb 0.55 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 39.19 3dyp n ASN 581 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dyp n GLY 582 N 1.41 0.66 3.71 7.41 0.00 -0.45 -5.01 105.19 112.92 3dyp n GLY 582 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3dyp n GLY 582 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dyp s ASN 583 N -2.89 6.89 0.42 1.61 0.01 -1.26 -4.74 114.94 114.97 3dyp s ASN 583 Ca 0.00 1.07 -0.21 0.00 -0.71 0.00 0.00 52.86 53.01 3dyp s ASN 583 Cb 0.00 -2.38 -0.11 0.00 0.41 0.00 0.00 41.25 39.17 3dyp s ASN 583 CO 0.00 -0.11 0.94 -2.16 -1.51 0.00 0.00 177.10 174.27 3dyp s PRO 584 N 0.87 4.25 0.06 -0.60 0.04 -1.26 0.05 135.00 138.41 3dyp s PRO 584 Ca 0.34 1.13 -0.10 0.00 0.04 0.00 0.00 61.00 62.40 3dyp s PRO 584 Cb -0.17 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.14 3dyp s PRO 584 CO 0.16 -0.00 0.22 1.67 0.04 0.00 0.00 177.00 179.08 3dyp s TRP 585 N -2.13 0.05 -0.19 0.56 1.48 0.12 -4.92 118.94 113.90 3dyp s TRP 585 Ca 0.61 -0.33 -0.24 0.00 -1.06 0.00 0.00 56.10 55.08 3dyp s TRP 585 Cb -0.10 -0.01 -0.01 0.00 -1.16 0.00 0.00 33.47 32.19 3dyp s TRP 585 CO 0.14 -0.49 0.80 -1.12 -4.06 0.00 0.00 176.95 172.22 3dyp s SER 586 N -2.36 6.88 0.06 -2.66 0.01 -1.26 -0.97 113.70 113.40 3dyp s SER 586 Ca -0.01 1.08 0.03 0.00 1.31 0.00 0.00 55.95 58.36 3dyp s SER 586 Cb 0.01 -2.43 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 3dyp s SER 586 CO -0.06 -0.41 0.03 0.00 0.41 0.00 0.00 173.24 173.21 3dyp s ALA 587 N 2.28 3.41 0.00 1.44 0.00 0.11 -4.90 121.76 124.09 3dyp s ALA 587 Ca 0.36 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.29 3dyp s ALA 587 Cb -0.16 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.62 3dyp s ALA 587 CO 0.11 0.71 0.00 2.48 0.00 0.00 0.00 175.76 179.05 3dyp n TYR 588 N 0.76 0.00 -1.67 0.00 0.18 -1.26 -0.94 117.16 114.23 3dyp n TYR 588 Ca -0.11 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.23 3dyp n TYR 588 Cb 0.52 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.46 3dyp n TYR 588 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3dyp n GLY 589 N 3.16 0.72 2.13 -7.48 0.00 -0.79 -1.65 105.19 101.28 3dyp n GLY 589 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 3dyp n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dyp n GLY 590 N 1.94 2.69 0.00 -0.02 0.00 -1.26 -4.11 105.19 104.44 3dyp n GLY 590 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 3dyp n GLY 590 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dyp n ASP 591 N 0.00 0.00 -0.02 1.61 8.00 -0.66 -1.42 116.55 124.06 3dyp n ASP 591 Ca 0.00 -0.53 0.02 0.00 0.71 0.00 0.00 54.79 55.00 3dyp n ASP 591 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.13 3dyp n ASP 591 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3dyp n PHE 592 N -0.98 0.00 -0.63 1.24 3.01 -1.26 -4.91 117.46 113.92 3dyp n PHE 592 Ca 0.12 -0.62 0.00 0.00 1.01 0.00 0.00 57.45 57.96 3dyp n PHE 592 Cb 0.05 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 3dyp n PHE 592 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dyp n GLY 593 N -0.73 0.90 3.72 1.37 0.00 -0.51 -4.87 105.19 105.07 3dyp n GLY 593 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3dyp n GLY 593 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dyp s ASP 594 N -3.02 6.77 -0.23 1.61 -4.77 -1.26 -4.98 116.67 110.79 3dyp s ASP 594 Ca 0.00 2.40 -0.26 0.00 -3.30 0.00 0.00 52.55 51.38 3dyp s ASP 594 Cb 0.00 -2.59 0.08 0.00 -1.09 0.00 0.00 42.92 39.32 3dyp s ASP 594 CO 0.00 -0.69 0.77 0.28 0.70 0.00 0.00 175.17 176.23 3dyp s THR 595 N 1.08 0.00 0.85 2.11 -1.32 -1.26 -4.07 115.64 113.04 3dyp s THR 595 Ca 0.66 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 61.03 3dyp s THR 595 Cb -0.38 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 69.71 3dyp s THR 595 CO 0.31 0.00 1.14 -2.84 -2.21 0.00 0.00 174.62 171.02 3dyp s PRO 596 N 0.07 1.50 0.22 7.08 0.02 -1.26 -5.16 135.00 137.46 3dyp s PRO 596 Ca -0.01 1.48 -0.04 0.00 0.02 0.00 0.00 61.00 62.45 3dyp s PRO 596 Cb -0.04 -1.79 -0.03 0.00 0.02 0.00 0.00 34.50 32.66 3dyp s PRO 596 CO 0.01 -2.27 0.24 0.54 -0.33 0.00 0.00 177.00 175.20 3dyp s ASN 597 N -2.77 0.17 -0.33 2.53 2.20 -1.26 -4.74 114.94 110.75 3dyp s ASN 597 Ca 0.66 -1.28 0.06 0.00 -0.94 0.00 0.00 52.86 51.37 3dyp s ASN 597 Cb -0.22 0.45 0.46 0.00 -2.00 0.00 0.00 41.25 39.94 3dyp s ASN 597 CO 0.56 -0.95 1.35 0.47 -2.94 0.00 0.00 177.10 175.59 3dyp n ASP 598 N -0.39 4.56 0.00 3.54 8.00 -0.12 -4.96 116.55 127.18 3dyp n ASP 598 Ca 0.01 -3.78 0.00 0.00 0.71 0.00 0.00 54.79 51.73 3dyp n ASP 598 Cb 0.65 -0.49 0.00 0.00 -0.02 0.00 0.00 41.12 41.25 3dyp n ASP 598 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3dyp n ARG 599 N -0.85 0.00 0.00 -1.24 1.85 -1.26 -1.12 116.66 114.04 3dyp n ARG 599 Ca 0.42 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 57.35 3dyp n ARG 599 Cb 0.90 0.00 0.49 0.00 -1.05 0.00 0.00 32.46 32.80 3dyp n ARG 599 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3dyp n GLN 600 N 13.95 0.77 0.13 2.89 0.00 -1.26 -1.89 117.38 131.98 3dyp n GLN 600 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 57.00 57.09 3dyp n GLN 600 Cb 0.00 -1.33 0.48 0.00 0.00 0.00 0.00 30.24 29.38 3dyp n GLN 600 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3dyp n PHE 601 N -0.83 0.59 1.25 2.61 3.01 -0.28 -1.36 117.46 122.46 3dyp n PHE 601 Ca 0.12 0.31 0.14 0.00 1.01 0.00 0.00 57.45 59.04 3dyp n PHE 601 Cb 0.06 -0.99 0.70 0.00 -0.01 0.00 0.00 39.48 39.24 3dyp n PHE 601 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dyp s MET 603 N -2.73 2.54 -0.05 0.00 -1.94 -0.46 -1.00 119.30 115.65 3dyp s MET 603 Ca 0.23 -1.92 0.11 0.00 -1.71 0.00 0.00 55.69 52.40 3dyp s MET 603 Cb 0.20 -3.92 0.19 0.00 2.01 0.00 0.00 34.83 33.31 3dyp s MET 603 CO 0.48 -1.19 1.09 0.09 -0.01 0.00 0.00 175.02 175.48 3dyp n ASN 604 N 4.65 0.93 -4.93 3.03 5.03 -1.26 -4.20 115.26 118.51 3dyp n ASN 604 Ca -0.04 -2.45 -0.25 0.00 0.87 0.00 0.00 54.58 52.70 3dyp n ASN 604 Cb 0.41 -0.31 0.01 0.00 -1.02 0.00 0.00 39.78 38.87 3dyp n ASN 604 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3dyp s GLY 605 N -1.86 1.50 0.33 7.41 0.00 -1.24 -1.32 107.32 112.13 3dyp s GLY 605 Ca 0.18 -0.75 0.18 0.00 0.00 0.00 0.00 44.72 44.33 3dyp s GLY 605 CO -0.03 -0.58 1.51 1.41 0.00 0.00 0.00 173.10 175.41 3dyp h LEU 606 N 0.30 0.00 -8.81 0.66 3.38 0.35 -3.44 115.31 107.75 3dyp h LEU 606 Ca -0.47 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 56.92 3dyp h LEU 606 Cb 1.23 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.78 3dyp h LEU 606 CO 0.60 0.37 -0.82 0.68 0.09 0.00 0.00 178.44 179.36 3dyp s VAL 607 N -3.07 1.91 0.92 1.22 -7.23 -0.24 -1.20 120.40 112.70 3dyp s VAL 607 Ca 0.04 -1.77 -0.12 0.00 -1.81 0.00 0.00 61.98 58.33 3dyp s VAL 607 Cb 0.07 -1.79 0.14 0.00 0.56 0.00 0.00 36.38 35.36 3dyp s VAL 607 CO 0.72 -0.14 1.09 -0.36 -0.31 0.00 0.00 175.10 176.10 3dyp s PHE 608 N -1.53 2.26 0.53 2.82 0.40 0.84 -1.96 117.98 121.34 3dyp s PHE 608 Ca 0.13 1.21 0.32 0.00 -0.60 0.00 0.00 56.93 57.99 3dyp s PHE 608 Cb -0.08 -3.18 1.48 0.00 0.51 0.00 0.00 43.02 41.75 3dyp s PHE 608 CO 0.06 -2.50 1.88 0.00 0.70 0.00 0.00 175.22 175.36 3dyp h ALA 609 N -1.62 2.86 -0.41 5.36 0.00 -1.89 0.50 119.26 124.07 3dyp h ALA 609 Ca -0.50 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3dyp h ALA 609 Cb 1.29 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3dyp h ALA 609 CO 0.55 -1.13 0.00 -0.40 0.00 0.00 0.00 179.25 178.27 3dyp n ASP 610 N -4.27 2.34 0.00 0.00 5.75 -1.26 -4.48 116.55 114.64 3dyp n ASP 610 Ca 0.19 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 53.02 3dyp n ASP 610 Cb 0.99 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.81 3dyp n ASP 610 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3dyp n ARG 611 N 0.77 0.00 -2.52 0.11 3.00 0.18 -5.02 116.66 113.18 3dyp n ARG 611 Ca 0.15 0.00 -0.41 0.00 -0.01 0.00 0.00 57.85 57.58 3dyp n ARG 611 Cb 0.38 -1.86 -0.04 0.00 0.00 0.00 0.00 32.46 30.95 3dyp n ARG 611 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3dyp s THR 612 N -2.97 3.95 0.49 0.55 2.01 -1.25 -4.76 115.64 113.66 3dyp s THR 612 Ca 0.00 1.63 -0.21 0.00 0.31 0.00 0.00 61.69 63.43 3dyp s THR 612 Cb 0.00 -4.04 -0.08 0.00 0.01 0.00 0.00 72.50 68.39 3dyp s THR 612 CO 0.00 0.26 1.07 -2.84 -0.69 0.00 0.00 174.62 172.41 3dyp s PRO 613 N -0.13 3.73 0.63 4.92 0.02 -1.26 -0.11 135.00 142.79 3dyp s PRO 613 Ca 0.50 1.45 -0.06 0.00 0.02 0.00 0.00 61.00 62.91 3dyp s PRO 613 Cb -0.29 -2.13 0.02 0.00 0.02 0.00 0.00 34.50 32.13 3dyp s PRO 613 CO 0.34 -0.51 0.94 -1.01 -0.33 0.00 0.00 177.00 176.43 3dyp s HIS 614 N -1.88 3.17 0.36 6.54 3.76 -0.34 -4.77 115.29 122.12 3dyp s HIS 614 Ca 0.68 0.62 0.03 0.00 -0.15 0.00 0.00 55.06 56.24 3dyp s HIS 614 Cb -0.19 -2.87 0.67 0.00 1.11 0.00 0.00 32.58 31.29 3dyp s HIS 614 CO 0.23 -0.99 1.99 -1.35 -0.85 0.00 0.00 174.74 173.77 3dyp h PRO 615 N -0.31 0.73 -0.10 8.40 0.11 -1.93 -2.19 132.00 136.70 3dyp h PRO 615 Ca -0.45 -0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.63 3dyp h PRO 615 Cb 1.27 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3dyp h PRO 615 CO 0.61 0.52 0.22 0.00 -0.21 0.00 0.00 178.00 179.14 3dyp h ALA 616 N 1.61 1.50 -0.55 -0.75 0.00 -1.86 -1.76 119.26 117.45 3dyp h ALA 616 Ca 0.20 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3dyp h ALA 616 Cb -0.02 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3dyp h ALA 616 CO -0.04 -0.27 0.34 1.25 0.00 0.00 0.00 179.25 180.54 3dyp h LEU 617 N 0.00 0.64 -0.90 0.00 5.85 -1.58 -1.83 115.31 117.49 3dyp h LEU 617 Ca 0.05 -0.03 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 3dyp h LEU 617 Cb 0.49 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3dyp h LEU 617 CO -0.00 0.49 -0.54 0.74 -0.34 0.00 0.00 178.44 178.78 3dyp h THR 618 N 0.75 1.38 -0.49 1.05 2.02 -1.52 -0.08 112.91 116.02 3dyp h THR 618 Ca 0.20 -1.87 -0.08 0.00 0.77 0.00 0.00 66.41 65.43 3dyp h THR 618 Cb -0.05 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.35 3dyp h THR 618 CO -0.04 0.53 -0.02 -0.08 0.37 0.00 0.00 175.52 176.28 3dyp h GLU 619 N 0.00 0.88 -0.13 6.66 4.57 -1.47 -1.22 114.58 123.86 3dyp h GLU 619 Ca -0.01 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 57.85 3dyp h GLU 619 Cb 0.97 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.48 3dyp h GLU 619 CO 0.07 0.93 -0.04 0.00 -1.18 0.00 0.00 179.01 178.78 3dyp h ALA 620 N 0.92 0.19 -0.68 2.92 0.00 -0.93 -2.15 119.26 119.53 3dyp h ALA 620 Ca 0.14 -0.24 0.13 0.00 0.00 0.00 0.00 54.91 54.93 3dyp h ALA 620 Cb 0.55 -0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 3dyp h ALA 620 CO 0.03 -0.05 0.22 -0.22 0.00 0.00 0.00 179.25 179.23 3dyp h LYS 621 N -0.05 0.35 -0.20 0.00 3.64 -0.90 -0.77 116.57 118.64 3dyp h LYS 621 Ca 0.03 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 3dyp h LYS 621 Cb 0.48 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3dyp h LYS 621 CO 0.02 0.23 -0.09 1.25 -2.27 0.00 0.00 179.45 178.58 3dyp h HIS 622 N 0.36 0.48 0.00 1.91 2.76 -1.10 -3.04 115.15 116.53 3dyp h HIS 622 Ca 0.36 -0.12 -0.07 0.00 -2.20 0.00 0.00 60.37 58.34 3dyp h HIS 622 Cb 0.54 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 3dyp h HIS 622 CO -0.20 0.71 -0.34 1.96 -1.30 0.00 0.00 177.93 178.75 3dyp h GLN 623 N 0.12 0.00 -0.68 5.26 1.08 -1.15 -2.44 115.11 117.31 3dyp h GLN 623 Ca 0.05 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.25 3dyp h GLN 623 Cb 0.58 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3dyp h GLN 623 CO 0.03 0.34 0.00 1.04 -0.95 0.00 0.00 178.83 179.29 3dyp n GLN 624 N -3.98 2.76 -1.03 1.46 6.02 -0.31 -4.96 117.38 117.33 3dyp n GLN 624 Ca -0.02 -1.60 -0.33 0.00 -0.01 0.00 0.00 57.00 55.05 3dyp n GLN 624 Cb 0.40 -1.75 0.13 0.00 1.02 0.00 0.00 30.24 30.04 3dyp n GLN 624 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3dyp s GLN 625 N -1.81 1.54 0.00 -1.09 -0.21 -0.92 -4.85 119.66 112.32 3dyp s GLN 625 Ca 0.28 1.66 0.21 0.00 0.02 0.00 0.00 55.36 57.53 3dyp s GLN 625 Cb 0.20 -1.77 0.02 0.00 1.00 0.00 0.00 33.01 32.46 3dyp s GLN 625 CO 0.11 -2.27 1.04 1.19 -2.12 0.00 0.00 175.29 173.25 3dyp n PHE 626 N -3.53 0.00 -5.00 0.91 3.01 -1.26 -4.89 117.46 106.70 3dyp n PHE 626 Ca 0.13 0.00 -0.28 0.00 1.01 0.00 0.00 57.45 58.30 3dyp n PHE 626 Cb 0.51 0.00 -0.16 0.00 -0.01 0.00 0.00 39.48 39.82 3dyp n PHE 626 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 3dyp s PHE 627 N -2.21 2.04 0.11 1.38 0.40 -1.26 0.11 117.98 118.55 3dyp s PHE 627 Ca 0.18 -0.66 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 3dyp s PHE 627 Cb 0.17 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 3dyp s PHE 627 CO 0.47 -0.23 -0.06 -0.65 0.70 0.00 0.00 175.22 175.45 3dyp s GLN 628 N 0.09 2.27 0.05 0.44 -1.52 0.47 -4.93 119.66 116.53 3dyp s GLN 628 Ca -0.07 -0.98 0.03 0.00 -1.95 0.00 0.00 55.36 52.39 3dyp s GLN 628 Cb -0.14 -2.38 -0.03 0.00 -0.22 0.00 0.00 33.01 30.25 3dyp s GLN 628 CO 0.04 0.51 -0.10 -0.06 -0.25 0.00 0.00 175.29 175.43 3dyp s PHE 629 N -1.29 0.84 0.03 0.91 0.40 -1.26 -0.01 117.98 117.59 3dyp s PHE 629 Ca 0.23 -0.48 0.01 0.00 -0.60 0.00 0.00 56.93 56.10 3dyp s PHE 629 Cb -0.11 -0.49 -0.02 0.00 0.51 0.00 0.00 43.02 42.91 3dyp s PHE 629 CO 0.16 -0.04 -0.06 1.03 0.70 0.00 0.00 175.22 177.01 3dyp s ARG 630 N -1.61 0.42 -0.06 0.44 1.81 -0.79 -4.98 118.95 114.19 3dyp s ARG 630 Ca -0.07 -0.57 0.05 0.00 -1.72 0.00 0.00 55.73 53.42 3dyp s ARG 630 Cb -0.10 -0.20 -0.01 0.00 -0.45 0.00 0.00 34.95 34.19 3dyp s ARG 630 CO 0.01 0.04 -0.22 -1.17 -0.68 0.00 0.00 175.30 173.27 3dyp s LEU 631 N -1.17 2.01 -0.27 2.53 2.96 -1.26 -0.96 118.68 122.52 3dyp s LEU 631 Ca -0.08 -0.47 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 3dyp s LEU 631 Cb -0.08 -1.24 0.11 0.00 0.50 0.00 0.00 46.19 45.48 3dyp s LEU 631 CO -0.00 0.20 0.22 -0.55 -1.32 0.00 0.00 176.35 174.90 3dyp s SER 632 N -0.00 2.26 1.26 3.68 0.15 0.31 -5.00 113.70 116.36 3dyp s SER 632 Ca -0.06 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.76 3dyp s SER 632 Cb -0.14 0.17 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 3dyp s SER 632 CO 0.04 -0.39 0.00 0.61 1.20 0.00 0.00 173.24 174.70 3dyp n GLY 633 N 5.29 2.64 0.76 9.45 0.00 -1.26 -1.07 105.19 121.00 3dyp n GLY 633 Ca -0.04 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.77 3dyp n GLY 633 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dyp n GLN 634 N 10.93 2.92 -3.71 1.61 10.64 -1.26 -4.95 117.38 133.56 3dyp n GLN 634 Ca 0.00 -2.39 -0.36 0.00 -1.83 0.00 0.00 57.00 52.42 3dyp n GLN 634 Cb 0.00 -1.52 -0.09 0.00 -0.86 0.00 0.00 30.24 27.77 3dyp n GLN 634 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 3dyp s THR 635 N -1.78 5.34 -0.20 -0.39 2.01 -0.23 0.18 115.64 120.57 3dyp s THR 635 Ca 0.31 0.17 -0.09 0.00 0.31 0.00 0.00 61.69 62.39 3dyp s THR 635 Cb 0.22 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 3dyp s THR 635 CO 0.13 0.40 0.10 -0.63 -0.69 0.00 0.00 174.62 173.93 3dyp s ILE 636 N 0.70 5.04 -0.25 1.82 1.01 0.20 -0.53 121.20 129.19 3dyp s ILE 636 Ca 0.07 0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 3dyp s ILE 636 Cb -0.12 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 3dyp s ILE 636 CO 0.01 0.42 0.09 -0.70 0.00 0.00 0.00 174.94 174.77 3dyp s GLU 637 N 0.59 3.76 -0.19 2.79 2.12 -0.13 -0.36 118.70 127.28 3dyp s GLU 637 Ca 0.05 -0.43 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 3dyp s GLU 637 Cb -0.12 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.86 3dyp s GLU 637 CO 0.01 -0.12 0.01 0.08 -0.54 0.00 0.00 175.26 174.70 3dyp s VAL 638 N 1.46 4.13 -0.10 3.70 1.01 0.18 -1.88 120.40 128.89 3dyp s VAL 638 Ca 0.06 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.80 3dyp s VAL 638 Cb -0.15 -2.86 -0.01 0.00 0.00 0.00 0.00 36.38 33.36 3dyp s VAL 638 CO 0.05 0.44 -0.18 -0.89 0.00 0.00 0.00 175.10 174.52 3dyp s THR 639 N 0.80 2.65 -0.04 3.92 2.01 0.99 -0.70 115.64 125.27 3dyp s THR 639 Ca 0.01 -0.82 -0.24 0.00 0.31 0.00 0.00 61.69 60.95 3dyp s THR 639 Cb -0.14 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 3dyp s THR 639 CO 0.02 0.55 0.71 -0.55 -0.69 0.00 0.00 174.62 174.66 3dyp s SER 640 N 0.17 7.03 0.00 3.53 0.15 -0.16 -0.40 113.70 124.02 3dyp s SER 640 Ca -0.10 1.24 0.25 0.00 0.70 0.00 0.00 55.95 58.04 3dyp s SER 640 Cb -0.16 -2.42 0.32 0.00 -1.71 0.00 0.00 66.02 62.05 3dyp s SER 640 CO 0.06 -0.08 1.32 -0.62 1.20 0.00 0.00 173.24 175.12 3dyp n GLU 641 N 3.55 1.95 -1.94 5.44 1.02 0.12 -2.23 120.64 128.54 3dyp n GLU 641 Ca -0.02 -1.53 -0.35 0.00 -0.02 0.00 0.00 57.16 55.24 3dyp n GLU 641 Cb 0.51 -1.47 0.04 0.00 -0.02 0.00 0.00 31.44 30.50 3dyp n GLU 641 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3dyp s TYR 642 N -2.11 2.38 -0.08 -0.32 1.51 -1.26 -4.77 117.35 112.71 3dyp s TYR 642 Ca 0.28 1.53 0.20 0.00 -1.01 0.00 0.00 57.07 58.06 3dyp s TYR 642 Cb 0.20 -3.45 -0.29 0.00 -0.11 0.00 0.00 41.96 38.30 3dyp s TYR 642 CO 0.37 -2.19 0.33 1.28 -1.11 0.00 0.00 175.55 174.22 3dyp n LEU 643 N -1.77 0.00 0.00 -1.29 4.77 -1.26 -1.67 117.00 115.79 3dyp n LEU 643 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3dyp n LEU 643 Cb 0.50 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3dyp n LEU 643 CO 0.45 0.14 -0.36 0.49 -1.33 0.00 0.00 177.39 176.79 3dyp n PHE 644 N -2.37 0.00 -3.58 -1.77 3.01 -1.26 -4.84 117.46 106.66 3dyp n PHE 644 Ca -0.12 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.04 3dyp n PHE 644 Cb 0.72 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.15 3dyp n PHE 644 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 3dyp s ARG 645 N -1.72 3.61 0.58 -1.08 1.70 -1.26 -4.77 118.95 116.00 3dyp s ARG 645 Ca 0.00 -0.12 -0.12 0.00 -0.47 0.00 0.00 55.73 55.03 3dyp s ARG 645 Cb 0.00 -2.78 -0.05 0.00 -0.57 0.00 0.00 34.95 31.55 3dyp s ARG 645 CO 0.00 0.37 0.99 -1.58 -1.08 0.00 0.00 175.30 174.00 3dyp s HIS 646 N -1.84 3.58 -1.44 5.89 5.65 -1.26 -3.47 115.29 122.40 3dyp s HIS 646 Ca 0.41 1.27 -0.13 0.00 0.25 0.00 0.00 55.06 56.86 3dyp s HIS 646 Cb -0.11 -2.68 0.05 0.00 -1.18 0.00 0.00 32.58 28.66 3dyp s HIS 646 CO 0.27 -0.56 2.24 -1.13 -0.65 0.00 0.00 174.74 174.91 3dyp n SER 647 N -2.40 4.50 -1.00 9.88 3.41 -0.70 -4.66 113.62 122.64 3dyp n SER 647 Ca 0.05 -2.86 0.05 0.00 -0.26 0.00 0.00 58.87 55.85 3dyp n SER 647 Cb 0.54 -1.62 0.20 0.00 -0.26 0.00 0.00 64.21 63.07 3dyp n SER 647 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3dyp n ASP 648 N 5.50 2.87 -2.79 4.04 5.68 -1.26 -3.99 116.55 126.60 3dyp n ASP 648 Ca 0.52 -2.26 -0.10 0.00 -0.50 0.00 0.00 54.79 52.45 3dyp n ASP 648 Cb 0.37 -0.44 0.06 0.00 -1.14 0.00 0.00 41.12 39.97 3dyp n ASP 648 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3dyp n ASN 649 N 0.48 -0.73 -3.73 -1.12 5.15 -1.26 -5.04 115.26 109.01 3dyp n ASN 649 Ca 0.14 -2.94 -0.13 0.00 -0.60 0.00 0.00 54.58 51.05 3dyp n ASN 649 Cb 0.56 0.59 -0.10 0.00 -0.53 0.00 0.00 39.78 40.30 3dyp n ASN 649 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3dyp s GLU 650 N -1.05 0.54 0.01 1.20 8.01 -1.26 -4.05 118.70 122.11 3dyp s GLU 650 Ca 0.27 0.39 0.01 0.00 0.01 0.00 0.00 54.97 55.65 3dyp s GLU 650 Cb 0.38 0.26 -0.01 0.00 -4.31 0.00 0.00 34.13 30.45 3dyp s GLU 650 CO -0.05 -0.10 -0.05 -0.48 0.01 0.00 0.00 175.26 174.60 3dyp s LEU 651 N -0.17 2.08 -0.24 1.80 0.05 -0.14 -1.72 118.68 120.35 3dyp s LEU 651 Ca -0.03 -0.21 -0.11 0.00 0.05 0.00 0.00 54.13 53.83 3dyp s LEU 651 Cb -0.03 -0.17 -0.05 0.00 -2.05 0.00 0.00 46.19 43.89 3dyp s LEU 651 CO 0.02 -0.03 0.18 -0.22 -0.55 0.00 0.00 176.35 175.74 3dyp s LEU 652 N -0.52 4.11 -0.08 1.48 2.96 0.55 -0.62 118.68 126.56 3dyp s LEU 652 Ca -0.02 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3dyp s LEU 652 Cb -0.04 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 3dyp s LEU 652 CO -0.00 0.05 -0.00 -1.00 -1.32 0.00 0.00 176.35 174.08 3dyp s HIS 653 N 1.11 3.14 0.03 5.38 3.76 0.78 -0.84 115.29 128.66 3dyp s HIS 653 Ca 0.08 0.18 0.02 0.00 -0.15 0.00 0.00 55.06 55.19 3dyp s HIS 653 Cb -0.14 -1.78 -0.02 0.00 1.11 0.00 0.00 32.58 31.76 3dyp s HIS 653 CO 0.05 0.46 -0.07 1.67 -0.85 0.00 0.00 174.74 176.00 3dyp s TRP 654 N -0.90 0.60 -0.08 1.40 1.48 0.05 -0.48 118.94 121.01 3dyp s TRP 654 Ca 0.14 -0.41 -0.11 0.00 -1.06 0.00 0.00 56.10 54.65 3dyp s TRP 654 Cb -0.11 -0.37 0.02 0.00 -1.16 0.00 0.00 33.47 31.86 3dyp s TRP 654 CO 0.03 -0.07 0.29 0.00 -4.06 0.00 0.00 176.95 173.13 3dyp s MET 655 N -1.26 0.45 -0.11 3.25 0.23 0.24 0.16 119.30 122.24 3dyp s MET 655 Ca -0.08 0.18 0.02 0.00 -1.03 0.00 0.00 55.69 54.78 3dyp s MET 655 Cb -0.08 0.21 -0.01 0.00 -1.53 0.00 0.00 34.83 33.42 3dyp s MET 655 CO 0.00 -0.09 -0.19 0.08 -2.03 0.00 0.00 175.02 172.80 3dyp s VAL 656 N -0.38 2.55 0.03 5.16 1.01 0.13 -1.00 120.40 127.89 3dyp s VAL 656 Ca -0.05 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.11 3dyp s VAL 656 Cb -0.03 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 3dyp s VAL 656 CO 0.02 0.54 -0.09 0.00 0.00 0.00 0.00 175.10 175.57 3dyp s ALA 657 N 0.35 0.68 -0.35 5.51 0.00 -0.51 -0.82 121.76 126.62 3dyp s ALA 657 Ca -0.15 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 3dyp s ALA 657 Cb -0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 3dyp s ALA 657 CO 0.07 0.06 0.22 -1.17 0.00 0.00 0.00 175.76 174.95 3dyp s LEU 658 N -1.22 4.53 -1.58 0.00 2.96 0.92 -0.64 118.68 123.64 3dyp s LEU 658 Ca -0.05 -0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 53.24 3dyp s LEU 658 Cb -0.08 -2.10 0.04 0.00 0.50 0.00 0.00 46.19 44.56 3dyp s LEU 658 CO 0.01 -0.27 0.19 0.47 -1.32 0.00 0.00 176.35 175.42 3dyp n ASP 659 N 5.07 0.16 0.00 3.68 8.00 -0.95 0.71 116.55 133.22 3dyp n ASP 659 Ca -0.13 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.15 3dyp n ASP 659 Cb 0.49 -1.88 0.00 0.00 -0.02 0.00 0.00 41.12 39.71 3dyp n ASP 659 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3dyp n GLY 660 N -2.22 2.51 3.58 0.44 0.00 -1.26 -4.86 105.19 103.38 3dyp n GLY 660 Ca -0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3dyp n GLY 660 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dyp s LYS 661 N -0.56 3.79 -0.00 1.61 1.02 0.22 -4.72 119.74 121.10 3dyp s LYS 661 Ca 0.00 -0.00 -0.35 0.00 0.02 0.00 0.00 55.97 55.64 3dyp s LYS 661 Cb 0.00 -3.75 -0.13 0.00 -0.52 0.00 0.00 37.83 33.43 3dyp s LYS 661 CO 0.00 -0.52 1.71 -2.30 -0.92 0.00 0.00 175.35 173.32 3dyp n PRO 662 N 5.64 1.98 -0.05 -1.68 -0.02 -1.26 -0.06 135.00 139.56 3dyp n PRO 662 Ca -0.05 0.72 -0.06 0.00 -2.02 0.00 0.00 63.50 62.09 3dyp n PRO 662 Cb 0.49 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 3dyp n PRO 662 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3dyp n LEU 663 N 5.01 1.35 -3.60 2.45 4.77 -0.00 -4.86 117.00 122.12 3dyp n LEU 663 Ca 0.21 -0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 56.12 3dyp n LEU 663 Cb 0.27 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 3dyp n LEU 663 CO 0.69 0.42 0.96 0.00 -1.33 0.00 0.00 177.39 178.14 3dyp s ALA 664 N -2.21 -2.05 0.04 -1.18 0.00 -0.96 -4.94 121.76 110.46 3dyp s ALA 664 Ca -0.09 1.27 -0.28 0.00 0.00 0.00 0.00 51.96 52.86 3dyp s ALA 664 Cb 0.03 0.09 0.09 0.00 0.00 0.00 0.00 23.12 23.33 3dyp s ALA 664 CO 0.31 -0.72 1.01 -1.54 0.00 0.00 0.00 175.76 174.82 3dyp s SER 665 N -2.42 -0.21 0.11 0.00 1.04 -1.26 0.19 113.70 111.15 3dyp s SER 665 Ca 0.10 -0.19 -0.11 0.00 0.48 0.00 0.00 55.95 56.23 3dyp s SER 665 Cb 0.00 0.37 0.04 0.00 0.10 0.00 0.00 66.02 66.53 3dyp s SER 665 CO -0.05 -0.64 0.52 0.61 0.98 0.00 0.00 173.24 174.66 3dyp n GLY 666 N -0.36 1.01 3.00 7.32 0.00 0.12 -4.97 105.19 111.31 3dyp n GLY 666 Ca -0.07 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 3dyp n GLY 666 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dyp s GLU 667 N -2.03 0.33 -0.18 1.61 -1.05 -1.26 -0.77 118.70 115.35 3dyp s GLU 667 Ca 0.11 -0.54 -0.12 0.00 -0.15 0.00 0.00 54.97 54.28 3dyp s GLU 667 Cb -0.02 0.12 0.06 0.00 -0.44 0.00 0.00 34.13 33.85 3dyp s GLU 667 CO 0.03 -0.06 0.44 0.54 0.95 0.00 0.00 175.26 177.17 3dyp s VAL 668 N -1.36 -0.02 0.54 1.83 0.11 -0.02 -5.01 120.40 116.48 3dyp s VAL 668 Ca -0.15 0.06 -0.19 0.00 -2.93 0.00 0.00 61.98 58.77 3dyp s VAL 668 Cb -0.09 -0.64 -0.06 0.00 -1.53 0.00 0.00 36.38 34.06 3dyp s VAL 668 CO -0.00 0.02 1.10 -2.84 -3.33 0.00 0.00 175.10 170.05 3dyp s PRO 669 N 1.03 3.41 -0.14 1.54 0.02 -1.26 -0.33 135.00 139.27 3dyp s PRO 669 Ca -0.06 1.50 -0.13 0.00 0.02 0.00 0.00 61.00 62.32 3dyp s PRO 669 Cb -0.06 -2.02 -0.05 0.00 0.02 0.00 0.00 34.50 32.39 3dyp s PRO 669 CO -0.09 -0.78 0.30 -0.51 -0.33 0.00 0.00 177.00 175.59 3dyp s LEU 670 N -3.89 4.29 -0.46 -5.54 1.43 -0.70 -4.77 118.68 109.04 3dyp s LEU 670 Ca 0.70 0.56 0.05 0.00 -1.03 0.00 0.00 54.13 54.42 3dyp s LEU 670 Cb -0.21 -2.38 0.20 0.00 0.03 0.00 0.00 46.19 43.83 3dyp s LEU 670 CO 0.27 0.15 0.44 -0.67 0.23 0.00 0.00 176.35 176.78 3dyp n ASP 671 N 3.22 0.45 -4.18 2.29 2.03 -1.26 -4.73 116.55 114.36 3dyp n ASP 671 Ca -0.13 -2.65 -0.29 0.00 0.52 0.00 0.00 54.79 52.25 3dyp n ASP 671 Cb 0.52 -0.61 -0.16 0.00 -0.72 0.00 0.00 41.12 40.15 3dyp n ASP 671 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3dyp s VAL 672 N -0.68 1.72 0.77 5.18 0.11 -1.26 -4.93 120.40 121.32 3dyp s VAL 672 Ca 0.33 -0.86 -0.11 0.00 -2.93 0.00 0.00 61.98 58.42 3dyp s VAL 672 Cb 0.08 -1.48 0.06 0.00 -1.53 0.00 0.00 36.38 33.50 3dyp s VAL 672 CO -0.16 0.48 1.08 0.00 -3.33 0.00 0.00 175.10 173.18 3dyp s ALA 673 N 0.14 2.27 0.23 1.54 0.00 -1.26 -1.72 121.76 122.94 3dyp s ALA 673 Ca -0.09 0.10 -0.32 0.00 0.00 0.00 0.00 51.96 51.65 3dyp s ALA 673 Cb -0.14 -3.21 -0.13 0.00 0.00 0.00 0.00 23.12 19.64 3dyp s ALA 673 CO 0.04 -1.70 1.61 -0.35 0.00 0.00 0.00 175.76 175.37 3dyp n PRO 674 N -3.46 2.52 -0.87 0.00 -0.04 -1.23 0.61 135.00 132.54 3dyp n PRO 674 Ca 0.08 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.44 3dyp n PRO 674 Cb 0.54 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 3dyp n PRO 674 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3dyp n GLN 675 N 3.07 -0.77 -2.00 0.54 1.13 -0.67 -4.93 117.38 113.76 3dyp n GLN 675 Ca 0.13 0.19 -0.21 0.00 -1.94 0.00 0.00 57.00 55.18 3dyp n GLN 675 Cb 0.34 -4.09 0.12 0.00 0.11 0.00 0.00 30.24 26.72 3dyp n GLN 675 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dyp n GLY 676 N -1.05 -0.09 3.20 1.08 0.00 0.20 -4.69 105.19 103.84 3dyp n GLY 676 Ca 0.00 -1.91 -0.16 0.00 0.00 0.00 0.00 46.02 43.96 3dyp n GLY 676 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dyp s LYS 677 N -4.91 0.90 -0.05 1.61 1.02 -1.26 -0.99 119.74 116.06 3dyp s LYS 677 Ca 0.58 -1.17 -0.03 0.00 0.02 0.00 0.00 55.97 55.36 3dyp s LYS 677 Cb -0.03 -0.66 0.02 0.00 -0.52 0.00 0.00 37.83 36.65 3dyp s LYS 677 CO 0.39 0.11 0.11 -1.14 -0.92 0.00 0.00 175.35 173.90 3dyp s GLN 678 N -2.71 0.09 -0.19 1.68 0.74 0.12 -4.90 119.66 114.50 3dyp s GLN 678 Ca 0.06 0.23 -0.07 0.00 0.05 0.00 0.00 55.36 55.63 3dyp s GLN 678 Cb -0.04 -0.06 -0.04 0.00 1.10 0.00 0.00 33.01 33.98 3dyp s GLN 678 CO 0.01 -0.08 0.05 -0.51 -0.55 0.00 0.00 175.29 174.21 3dyp s LEU 679 N 0.55 3.67 -0.17 3.68 1.43 -1.26 0.48 118.68 127.06 3dyp s LEU 679 Ca -0.04 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.07 3dyp s LEU 679 Cb -0.06 -1.93 0.03 0.00 0.03 0.00 0.00 46.19 44.26 3dyp s LEU 679 CO -0.02 0.14 -0.12 -0.63 0.23 0.00 0.00 176.35 175.95 3dyp s ILE 680 N 0.57 1.57 -0.33 -0.59 1.01 0.52 -4.96 121.20 118.98 3dyp s ILE 680 Ca 0.02 -0.79 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 3dyp s ILE 680 Cb -0.13 -1.57 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 3dyp s ILE 680 CO 0.01 0.31 0.57 -1.61 0.00 0.00 0.00 174.94 174.23 3dyp s GLU 681 N 1.46 3.74 0.47 2.79 0.41 -1.26 0.60 118.70 126.91 3dyp s GLU 681 Ca 0.02 0.05 -0.24 0.00 -0.41 0.00 0.00 54.97 54.39 3dyp s GLU 681 Cb -0.14 -3.77 -0.07 0.00 -1.78 0.00 0.00 34.13 28.36 3dyp s GLU 681 CO -0.09 -0.62 1.31 -0.51 -0.49 0.00 0.00 175.26 174.85 3dyp s LEU 682 N 2.52 4.04 1.03 1.80 1.43 0.48 -4.96 118.68 125.03 3dyp s LEU 682 Ca 0.22 2.66 -0.12 0.00 -1.03 0.00 0.00 54.13 55.86 3dyp s LEU 682 Cb -0.15 -4.10 0.21 0.00 0.03 0.00 0.00 46.19 42.18 3dyp s LEU 682 CO 0.13 -1.14 1.08 -2.16 0.23 0.00 0.00 176.35 174.48 3dyp s PRO 683 N -2.58 0.10 0.15 1.29 0.04 -1.26 -4.91 135.00 127.83 3dyp s PRO 683 Ca 0.64 1.02 -0.31 0.00 0.04 0.00 0.00 61.00 62.38 3dyp s PRO 683 Cb -0.38 -1.66 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 3dyp s PRO 683 CO 0.47 -3.09 1.36 -2.00 0.04 0.00 0.00 177.00 173.78 3dyp s GLU 684 N -4.63 4.34 0.37 4.56 -6.30 -1.26 -5.01 118.70 110.77 3dyp s GLU 684 Ca 0.67 2.07 -0.00 0.00 -2.50 0.00 0.00 54.97 55.20 3dyp s GLU 684 Cb -0.23 -3.23 0.07 0.00 0.00 0.00 0.00 34.13 30.75 3dyp s GLU 684 CO 0.61 -0.37 0.51 1.28 0.02 0.00 0.00 175.26 177.31 3dyp n LEU 685 N 3.45 0.00 -4.93 2.70 4.32 -1.26 -5.11 117.00 116.17 3dyp n LEU 685 Ca 0.09 -1.07 -0.20 0.00 -0.02 0.00 0.00 56.01 54.82 3dyp n LEU 685 Cb 0.42 -0.33 -0.02 0.00 -1.62 0.00 0.00 43.42 41.88 3dyp n LEU 685 CO 0.58 -0.75 0.00 -2.16 -1.22 0.00 0.00 177.39 173.84 3dyp s PRO 686 N -3.77 2.97 -0.44 3.23 0.04 -1.26 -5.06 135.00 130.70 3dyp s PRO 686 Ca 0.34 -1.12 -0.02 0.00 0.04 0.00 0.00 61.00 60.24 3dyp s PRO 686 Cb -0.02 -2.68 0.12 0.00 0.04 0.00 0.00 34.50 31.96 3dyp s PRO 686 CO 0.22 0.08 0.23 -0.65 0.04 0.00 0.00 177.00 176.92 3dyp s GLN 687 N -4.10 2.03 -0.39 4.56 -1.52 -1.26 -5.04 119.66 113.94 3dyp s GLN 687 Ca 0.43 -1.99 -0.17 0.00 -1.95 0.00 0.00 55.36 51.68 3dyp s GLN 687 Cb -0.08 -3.55 0.01 0.00 -0.22 0.00 0.00 33.01 29.17 3dyp s GLN 687 CO 0.29 -1.08 0.46 -1.25 -0.25 0.00 0.00 175.29 173.47 3dyp s PRO 688 N 0.84 3.30 0.00 2.91 0.04 -1.26 -4.86 135.00 135.97 3dyp s PRO 688 Ca 0.10 -0.54 0.28 0.00 0.04 0.00 0.00 61.00 60.88 3dyp s PRO 688 Cb -0.22 -3.90 1.47 0.00 0.04 0.00 0.00 34.50 31.88 3dyp s PRO 688 CO -0.04 -0.77 1.97 0.39 0.04 0.00 0.00 177.00 178.58 3dyp n GLU 689 N 5.66 1.22 -1.94 4.56 4.71 -1.26 -4.75 120.64 128.85 3dyp n GLU 689 Ca -0.06 -0.32 -0.42 0.00 -0.01 0.00 0.00 57.16 56.34 3dyp n GLU 689 Cb 0.48 -1.45 -0.03 0.00 -1.01 0.00 0.00 31.44 29.43 3dyp n GLU 689 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 3dyp s SER 690 N -1.89 6.62 0.80 1.62 0.15 -1.26 -4.93 113.70 114.80 3dyp s SER 690 Ca 0.41 2.42 -0.14 0.00 0.70 0.00 0.00 55.95 59.33 3dyp s SER 690 Cb 0.20 -2.55 0.03 0.00 -1.71 0.00 0.00 66.02 61.98 3dyp s SER 690 CO 0.33 -0.91 0.83 0.00 1.20 0.00 0.00 173.24 174.69 3dyp n ALA 691 N 6.23 -0.95 0.00 5.45 0.00 -1.26 -4.85 120.51 125.13 3dyp n ALA 691 Ca 0.17 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3dyp n ALA 691 Cb 0.41 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.83 3dyp n ALA 691 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dyp n GLY 692 N 1.12 2.42 3.59 0.00 0.00 0.88 -4.93 105.19 108.26 3dyp n GLY 692 Ca 0.11 -1.85 -0.34 0.00 0.00 0.00 0.00 46.02 43.94 3dyp n GLY 692 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3dyp s GLN 693 N -1.66 3.89 0.15 1.61 2.00 -1.26 -0.78 119.66 123.60 3dyp s GLN 693 Ca 0.00 -0.39 -0.21 0.00 -2.00 0.00 0.00 55.36 52.76 3dyp s GLN 693 Cb 0.00 -3.15 -0.08 0.00 0.80 0.00 0.00 33.01 30.58 3dyp s GLN 693 CO 0.00 0.24 0.68 -0.51 -0.50 0.00 0.00 175.29 175.19 3dyp s LEU 694 N 0.44 4.49 -0.00 3.68 1.43 -0.55 -2.24 118.68 125.93 3dyp s LEU 694 Ca 0.02 1.41 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 3dyp s LEU 694 Cb -0.13 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 3dyp s LEU 694 CO 0.01 0.18 -0.11 0.26 0.23 0.00 0.00 176.35 176.92 3dyp s TRP 695 N -1.26 0.95 -0.18 0.29 0.52 0.18 -0.61 118.94 118.83 3dyp s TRP 695 Ca 0.36 -0.19 -0.07 0.00 0.02 0.00 0.00 56.10 56.22 3dyp s TRP 695 Cb -0.20 -0.60 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 3dyp s TRP 695 CO 0.22 -0.01 0.04 -1.17 0.02 0.00 0.00 176.95 176.04 3dyp s LEU 696 N -0.33 3.68 -0.08 2.99 2.96 -0.09 -1.42 118.68 126.38 3dyp s LEU 696 Ca 0.04 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 3dyp s LEU 696 Cb -0.04 -1.92 -0.00 0.00 0.50 0.00 0.00 46.19 44.73 3dyp s LEU 696 CO -0.00 0.17 -0.21 -0.89 -1.32 0.00 0.00 176.35 174.10 3dyp s THR 697 N 0.37 1.80 0.10 3.68 2.01 -0.17 -1.01 115.64 122.41 3dyp s THR 697 Ca 0.01 -0.89 0.10 0.00 0.31 0.00 0.00 61.69 61.22 3dyp s THR 697 Cb -0.13 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3dyp s THR 697 CO 0.01 0.50 -0.25 0.68 -0.69 0.00 0.00 174.62 174.87 3dyp s VAL 698 N 0.24 2.04 0.00 3.82 -7.23 -0.28 -0.59 120.40 118.41 3dyp s VAL 698 Ca -0.13 -1.59 -0.00 0.00 -1.81 0.00 0.00 61.98 58.45 3dyp s VAL 698 Cb -0.16 -1.81 -0.00 0.00 0.56 0.00 0.00 36.38 34.97 3dyp s VAL 698 CO 0.06 0.11 0.00 -0.13 -0.31 0.00 0.00 175.10 174.83 3dyp s ARG 699 N -1.80 0.08 -0.23 4.82 0.52 0.37 -1.89 118.95 120.81 3dyp s ARG 699 Ca 0.11 -0.12 -0.09 0.00 -0.52 0.00 0.00 55.73 55.11 3dyp s ARG 699 Cb -0.10 0.03 -0.04 0.00 0.52 0.00 0.00 34.95 35.36 3dyp s ARG 699 CO 0.04 -0.01 0.11 0.08 0.02 0.00 0.00 175.30 175.55 3dyp s VAL 700 N -0.32 4.91 -0.04 3.52 1.01 0.26 -0.15 120.40 129.59 3dyp s VAL 700 Ca -0.04 0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.03 3dyp s VAL 700 Cb -0.02 -3.28 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 3dyp s VAL 700 CO -0.00 0.36 -0.23 -0.69 0.00 0.00 0.00 175.10 174.54 3dyp s VAL 701 N 1.14 2.29 -0.42 2.92 1.01 0.21 -1.32 120.40 126.24 3dyp s VAL 701 Ca 0.06 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.87 3dyp s VAL 701 Cb -0.14 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.43 3dyp s VAL 701 CO 0.04 0.58 0.35 -1.10 0.00 0.00 0.00 175.10 174.97 3dyp s GLN 702 N -0.49 3.01 0.28 2.72 -0.21 -0.06 -0.96 119.66 123.95 3dyp s GLN 702 Ca 0.06 -0.95 0.07 0.00 0.02 0.00 0.00 55.36 54.56 3dyp s GLN 702 Cb -0.11 -3.98 0.41 0.00 1.00 0.00 0.00 33.01 30.32 3dyp s GLN 702 CO 0.01 -0.79 1.66 -1.00 -2.12 0.00 0.00 175.29 173.05 3dyp h PRO 703 N 8.67 0.20 -5.92 2.91 0.13 -1.88 1.14 132.00 137.26 3dyp h PRO 703 Ca -0.27 -0.11 -0.65 0.00 -0.87 0.00 0.00 66.00 64.10 3dyp h PRO 703 Cb 1.12 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.17 3dyp h PRO 703 CO 0.76 0.64 -0.54 -0.80 -0.23 0.00 0.00 178.00 177.83 3dyp s ASN 704 N -6.88 5.99 0.76 1.44 0.02 -1.26 -3.81 114.94 111.19 3dyp s ASN 704 Ca -0.04 0.23 -0.11 0.00 -1.02 0.00 0.00 52.86 51.92 3dyp s ASN 704 Cb 0.13 -1.80 0.05 0.00 0.02 0.00 0.00 41.25 39.66 3dyp s ASN 704 CO 0.77 0.27 1.10 0.00 0.02 0.00 0.00 177.10 179.26 3dyp s ALA 705 N -1.25 2.25 0.34 0.60 0.00 -1.26 -4.48 121.76 117.96 3dyp s ALA 705 Ca 0.25 0.33 0.05 0.00 0.00 0.00 0.00 51.96 52.59 3dyp s ALA 705 Cb -0.12 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3dyp s ALA 705 CO 0.16 -1.74 0.18 0.25 0.00 0.00 0.00 175.76 174.61 3dyp n THR 706 N -3.37 0.00 0.35 0.00 -2.24 -0.36 -4.90 114.28 103.76 3dyp n THR 706 Ca 0.09 -2.17 0.13 0.00 -2.27 0.00 0.00 64.05 59.83 3dyp n THR 706 Cb 0.53 0.90 0.56 0.00 -2.10 0.00 0.00 70.33 70.22 3dyp n THR 706 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dyp h ALA 707 N 1.75 1.00 0.00 6.98 0.00 -2.00 -3.21 119.26 123.78 3dyp h ALA 707 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3dyp h ALA 707 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3dyp h ALA 707 CO 0.40 0.00 0.00 -2.67 0.00 0.00 0.00 179.25 176.98 3dyp n TRP 708 N -2.42 0.00 -3.74 0.00 4.27 -1.26 -5.05 117.44 109.23 3dyp n TRP 708 Ca 0.01 -0.32 -0.12 0.00 -3.89 0.00 0.00 57.50 53.19 3dyp n TRP 708 Cb 0.22 -0.03 -0.07 0.00 -1.36 0.00 0.00 31.31 30.06 3dyp n TRP 708 CO 0.00 0.00 0.00 -1.54 -2.29 0.00 0.00 177.69 173.86 3dyp s SER 709 N -0.64 -0.15 0.53 -0.67 1.04 -1.21 -4.60 113.70 108.00 3dyp s SER 709 Ca 0.00 -0.14 -0.04 0.00 0.48 0.00 0.00 55.95 56.26 3dyp s SER 709 Cb 0.00 0.36 -0.00 0.00 0.10 0.00 0.00 66.02 66.48 3dyp s SER 709 CO 0.00 -0.61 0.81 -1.61 0.98 0.00 0.00 173.24 172.81 3dyp s GLU 710 N -2.41 3.07 0.35 4.02 2.02 -1.26 -1.23 118.70 123.26 3dyp s GLU 710 Ca -0.06 -0.12 -0.29 0.00 0.02 0.00 0.00 54.97 54.52 3dyp s GLU 710 Cb -0.01 -2.38 -0.11 0.00 0.10 0.00 0.00 34.13 31.72 3dyp s GLU 710 CO -0.02 -0.48 1.50 0.00 0.02 0.00 0.00 175.26 176.28 3dyp n ALA 711 N -2.37 2.29 -0.28 5.21 0.00 -1.26 -1.74 120.51 122.36 3dyp n ALA 711 Ca 0.03 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3dyp n ALA 711 Cb 0.57 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.61 3dyp n ALA 711 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dyp n GLY 712 N 1.01 1.06 3.64 0.00 0.00 0.39 -4.93 105.19 106.36 3dyp n GLY 712 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.59 3dyp n GLY 712 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3dyp n HIS 713 N -2.00 1.94 -3.42 1.61 -0.00 -0.71 -4.57 115.22 108.07 3dyp n HIS 713 Ca 0.00 0.47 -0.39 0.00 0.46 0.00 0.00 57.72 58.26 3dyp n HIS 713 Cb 0.00 -2.43 -0.09 0.00 -0.12 0.00 0.00 29.99 27.35 3dyp n HIS 713 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 3dyp s ILE 714 N 0.16 5.20 -0.42 3.57 1.01 -1.26 -0.88 121.20 128.58 3dyp s ILE 714 Ca 0.73 0.54 0.15 0.00 0.00 0.00 0.00 60.65 62.07 3dyp s ILE 714 Cb -0.73 -3.68 -0.20 0.00 0.01 0.00 0.00 42.46 37.87 3dyp s ILE 714 CO 0.47 0.19 0.52 -1.54 0.00 0.00 0.00 174.94 174.58 3dyp n SER 715 N 5.11 1.02 -3.49 3.58 3.41 -0.43 -5.01 113.62 117.81 3dyp n SER 715 Ca -0.09 -0.50 -0.14 0.00 -0.26 0.00 0.00 58.87 57.88 3dyp n SER 715 Cb 0.51 1.30 -0.04 0.00 -0.26 0.00 0.00 64.21 65.72 3dyp n SER 715 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dyp s ALA 716 N -2.70 -1.72 0.21 7.33 0.00 -1.23 -4.70 121.76 118.95 3dyp s ALA 716 Ca 0.01 1.01 -0.16 0.00 0.00 0.00 0.00 51.96 52.81 3dyp s ALA 716 Cb 0.11 0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.55 3dyp s ALA 716 CO 0.63 -0.54 0.51 1.67 0.00 0.00 0.00 175.76 178.03 3dyp s TRP 717 N -2.30 0.01 -0.17 0.00 -2.14 -1.26 -0.57 118.94 112.51 3dyp s TRP 717 Ca -0.04 -0.36 -0.30 0.00 2.66 0.00 0.00 56.10 58.05 3dyp s TRP 717 Cb -0.00 0.34 0.13 0.00 -3.10 0.00 0.00 33.47 30.84 3dyp s TRP 717 CO -0.01 -0.94 1.02 -1.14 -2.66 0.00 0.00 176.95 173.23 3dyp s GLN 718 N -3.91 0.55 0.10 3.25 2.00 -0.79 -4.99 119.66 115.88 3dyp s GLN 718 Ca 0.12 0.12 0.05 0.00 -2.00 0.00 0.00 55.36 53.65 3dyp s GLN 718 Cb -0.01 0.26 -0.04 0.00 0.80 0.00 0.00 33.01 34.03 3dyp s GLN 718 CO 0.00 -0.17 -0.12 -0.65 -0.50 0.00 0.00 175.29 173.85 3dyp s GLN 719 N -1.15 0.91 0.03 1.67 -0.21 -1.26 -1.12 119.66 118.53 3dyp s GLN 719 Ca -0.01 -1.17 0.00 0.00 0.02 0.00 0.00 55.36 54.20 3dyp s GLN 719 Cb -0.00 -0.70 -0.02 0.00 1.00 0.00 0.00 33.01 33.28 3dyp s GLN 719 CO 0.01 0.12 -0.04 -1.58 -2.12 0.00 0.00 175.29 171.68 3dyp s TRP 720 N -2.23 0.38 0.17 0.91 0.51 -0.18 -4.99 118.94 113.51 3dyp s TRP 720 Ca 0.06 -0.60 -0.27 0.00 -2.12 0.00 0.00 56.10 53.17 3dyp s TRP 720 Cb -0.04 -0.26 -0.08 0.00 -0.81 0.00 0.00 33.47 32.28 3dyp s TRP 720 CO 0.01 -0.19 0.83 1.03 -0.51 0.00 0.00 176.95 178.12 3dyp s ARG 721 N -1.85 4.64 0.00 4.98 0.52 -1.26 -0.92 118.95 125.07 3dyp s ARG 721 Ca -0.11 1.25 0.00 0.00 -0.52 0.00 0.00 55.73 56.35 3dyp s ARG 721 Cb -0.07 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.11 3dyp s ARG 721 CO -0.02 0.51 0.00 1.28 0.02 0.00 0.00 175.30 177.09 3dyp n LEU 722 N 1.76 0.00 -4.74 2.53 4.77 0.22 -4.89 117.00 116.65 3dyp n LEU 722 Ca -0.04 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.58 3dyp n LEU 722 Cb 0.48 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 3dyp n LEU 722 CO 0.48 0.00 0.87 0.00 -1.33 0.00 0.00 177.39 177.41 3dyp s ALA 723 N -2.80 2.46 0.01 -1.18 0.00 -1.26 -4.63 121.76 114.36 3dyp s ALA 723 Ca 0.00 1.11 0.07 0.00 0.00 0.00 0.00 51.96 53.14 3dyp s ALA 723 Cb 0.00 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 3dyp s ALA 723 CO 0.00 -1.38 -0.20 -2.00 0.00 0.00 0.00 175.76 172.18 3dyp s GLU 724 N -3.36 1.52 -0.32 0.00 2.12 -1.26 -1.48 118.70 115.92 3dyp s GLU 724 Ca 0.80 -0.81 0.03 0.00 0.36 0.00 0.00 54.97 55.35 3dyp s GLU 724 Cb -0.34 -1.54 0.09 0.00 0.26 0.00 0.00 34.13 32.61 3dyp s GLU 724 CO 0.36 0.41 0.03 -0.80 -0.54 0.00 0.00 175.26 174.72 3dyp s ASN 725 N -0.78 4.54 0.30 -1.70 0.01 0.04 -4.96 114.94 112.40 3dyp s ASN 725 Ca 0.08 -1.91 -0.29 0.00 -0.71 0.00 0.00 52.86 50.03 3dyp s ASN 725 Cb -0.08 -1.46 -0.10 0.00 0.41 0.00 0.00 41.25 40.01 3dyp s ASN 725 CO 0.00 -0.35 1.38 -0.76 -1.51 0.00 0.00 177.10 175.86 3dyp s LEU 726 N 1.08 4.40 -0.00 0.60 1.43 -1.26 -0.09 118.68 124.84 3dyp s LEU 726 Ca 0.07 2.72 -0.30 0.00 -1.03 0.00 0.00 54.13 55.59 3dyp s LEU 726 Cb -0.19 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 3dyp s LEU 726 CO -0.10 -0.64 1.17 -0.55 0.23 0.00 0.00 176.35 176.46 3dyp s SER 727 N -0.11 7.10 0.00 2.29 0.15 -1.26 -4.87 113.70 117.01 3dyp s SER 727 Ca 0.53 1.88 0.00 0.00 0.70 0.00 0.00 55.95 59.06 3dyp s SER 727 Cb -0.41 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.33 3dyp s SER 727 CO 0.50 -0.50 0.78 1.33 1.20 0.00 0.00 173.24 176.56 3dyp n VAL 728 N 4.24 0.56 -3.09 4.45 0.24 -1.26 -5.03 118.33 118.44 3dyp n VAL 728 Ca 0.09 -0.78 -0.39 0.00 -2.04 0.00 0.00 64.34 61.22 3dyp n VAL 728 Cb 0.47 0.72 -0.06 0.00 -1.47 0.00 0.00 33.84 33.50 3dyp n VAL 728 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3dyp s THR 729 N -0.56 4.54 0.11 3.34 -4.23 -1.26 -5.04 115.64 112.53 3dyp s THR 729 Ca 0.00 1.52 -0.28 0.00 -1.18 0.00 0.00 61.69 61.75 3dyp s THR 729 Cb 0.00 -4.05 -0.06 0.00 1.34 0.00 0.00 72.50 69.73 3dyp s THR 729 CO 0.00 0.52 0.87 -0.76 -0.54 0.00 0.00 174.62 174.71 3dyp s LEU 730 N -1.02 4.51 0.72 4.79 1.02 -1.26 -5.03 118.68 122.40 3dyp s LEU 730 Ca 0.33 1.68 -0.15 0.00 0.02 0.00 0.00 54.13 56.01 3dyp s LEU 730 Cb -0.22 -3.44 0.03 0.00 0.02 0.00 0.00 46.19 42.59 3dyp s LEU 730 CO 0.23 0.01 1.18 -2.16 0.02 0.00 0.00 176.35 175.63 3dyp s PRO 731 N -0.26 2.26 0.30 1.29 0.04 -1.26 -4.92 135.00 132.45 3dyp s PRO 731 Ca 0.42 1.64 -0.28 0.00 0.04 0.00 0.00 61.00 62.82 3dyp s PRO 731 Cb -0.23 -1.86 -0.14 0.00 0.04 0.00 0.00 34.50 32.32 3dyp s PRO 731 CO 0.27 -1.72 1.04 0.00 0.04 0.00 0.00 177.00 176.64 3dyp n ALA 732 N -2.73 -0.03 -1.56 8.56 0.00 -1.26 -4.89 120.51 118.60 3dyp n ALA 732 Ca 0.12 0.38 -0.49 0.00 0.00 0.00 0.00 53.44 53.46 3dyp n ALA 732 Cb 0.51 -2.05 -0.04 0.00 0.00 0.00 0.00 19.45 17.87 3dyp n ALA 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dyp n ALA 733 N 0.22 -1.17 -1.89 0.00 0.00 -1.26 -4.86 120.51 111.55 3dyp n ALA 733 Ca 0.09 0.47 -0.35 0.00 0.00 0.00 0.00 53.44 53.65 3dyp n ALA 733 Cb 0.33 -1.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.77 3dyp n ALA 733 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3dyp s SER 734 N -0.13 4.95 0.13 0.00 0.15 -1.26 -4.86 113.70 112.67 3dyp s SER 734 Ca 0.73 0.39 -0.26 0.00 0.70 0.00 0.00 55.95 57.50 3dyp s SER 734 Cb -0.88 -2.53 -0.04 0.00 -1.71 0.00 0.00 66.02 60.86 3dyp s SER 734 CO 0.53 -2.65 1.62 0.45 1.20 0.00 0.00 173.24 174.40 3dyp h HIS 735 N 15.60 -0.79 -4.08 3.44 3.86 -1.89 -3.46 115.15 127.83 3dyp h HIS 735 Ca -0.19 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.02 3dyp h HIS 735 Cb 1.16 0.35 -0.00 0.00 1.06 0.00 0.00 27.41 29.98 3dyp h HIS 735 CO 1.05 -0.38 -0.01 0.00 0.86 0.00 0.00 177.93 179.45 3dyp n ALA 736 N -2.74 0.03 -3.74 2.45 0.00 -1.26 -5.12 120.51 110.14 3dyp n ALA 736 Ca -0.04 -0.10 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 3dyp n ALA 736 Cb 0.31 0.04 -0.15 0.00 0.00 0.00 0.00 19.45 19.65 3dyp n ALA 736 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 3dyp s ILE 737 N -0.31 -0.09 0.52 0.00 -4.36 -1.26 -4.09 121.20 111.61 3dyp s ILE 737 Ca 0.01 0.23 -0.19 0.00 -0.26 0.00 0.00 60.65 60.44 3dyp s ILE 737 Cb -0.00 -0.20 -0.07 0.00 1.25 0.00 0.00 42.46 43.44 3dyp s ILE 737 CO 0.01 0.09 1.05 -2.84 0.24 0.00 0.00 174.94 173.49 3dyp s PRO 738 N 1.37 3.63 -0.09 0.37 0.02 -1.26 -4.97 135.00 134.06 3dyp s PRO 738 Ca -0.07 1.31 -0.02 0.00 0.02 0.00 0.00 61.00 62.25 3dyp s PRO 738 Cb -0.12 -2.07 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 3dyp s PRO 738 CO -0.05 -0.57 0.01 -1.01 -0.33 0.00 0.00 177.00 175.05 3dyp s HIS 739 N -2.14 3.19 -0.14 6.54 3.76 0.85 -4.74 115.29 122.61 3dyp s HIS 739 Ca 0.66 0.21 -0.12 0.00 -0.15 0.00 0.00 55.06 55.66 3dyp s HIS 739 Cb -0.16 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.67 3dyp s HIS 739 CO 0.26 0.48 0.26 -1.17 -0.85 0.00 0.00 174.74 173.72 3dyp s LEU 740 N -0.86 4.29 -0.11 0.89 2.96 -1.26 -0.64 118.68 123.94 3dyp s LEU 740 Ca 0.13 0.51 0.02 0.00 -0.22 0.00 0.00 54.13 54.57 3dyp s LEU 740 Cb -0.11 -2.31 0.01 0.00 0.50 0.00 0.00 46.19 44.28 3dyp s LEU 740 CO 0.02 0.18 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.18 3dyp s THR 741 N 0.06 1.59 0.03 3.68 2.01 0.12 -4.99 115.64 118.13 3dyp s THR 741 Ca 0.16 -0.69 0.04 0.00 0.31 0.00 0.00 61.69 61.50 3dyp s THR 741 Cb -0.13 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 3dyp s THR 741 CO 0.04 0.46 -0.05 -0.89 -0.69 0.00 0.00 174.62 173.48 3dyp s THR 742 N 0.96 3.72 0.18 -0.82 2.01 -1.26 -0.70 115.64 119.74 3dyp s THR 742 Ca -0.07 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.09 3dyp s THR 742 Cb -0.15 -2.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 3dyp s THR 742 CO -0.02 0.32 0.11 -0.94 -0.69 0.00 0.00 174.62 173.41 3dyp s SER 743 N -1.64 0.23 0.38 3.53 1.04 0.21 -4.99 113.70 112.46 3dyp s SER 743 Ca 0.19 -1.34 0.06 0.00 0.48 0.00 0.00 55.95 55.34 3dyp s SER 743 Cb -0.11 0.35 0.75 0.00 0.10 0.00 0.00 66.02 67.10 3dyp s SER 743 CO 0.10 -0.81 1.97 -0.08 0.98 0.00 0.00 173.24 175.40 3dyp h GLU 744 N 2.68 0.51 0.00 4.02 4.81 -2.03 -3.17 114.58 121.40 3dyp h GLU 744 Ca -0.36 -0.07 -0.17 0.00 -0.13 0.00 0.00 59.36 58.63 3dyp h GLU 744 Cb 1.24 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3dyp h GLU 744 CO 0.55 0.44 -1.19 1.98 -0.73 0.00 0.00 179.01 180.06 3dyp h MET 745 N 0.51 0.00 -3.86 1.92 4.05 -1.96 -3.43 114.93 112.16 3dyp h MET 745 Ca 0.12 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.45 3dyp h MET 745 Cb 0.14 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 30.79 3dyp h MET 745 CO -0.01 0.44 -0.43 -0.51 0.23 0.00 0.00 176.91 176.63 3dyp s ASP 746 N -6.08 0.18 -0.24 1.39 1.01 -1.20 0.14 116.67 111.88 3dyp s ASP 746 Ca -0.01 -0.68 -0.02 0.00 0.71 0.00 0.00 52.55 52.55 3dyp s ASP 746 Cb 0.08 0.31 0.02 0.00 1.01 0.00 0.00 42.92 44.34 3dyp s ASP 746 CO 0.80 -0.69 -0.06 -0.36 0.21 0.00 0.00 175.17 175.07 3dyp s PHE 747 N -3.73 3.02 -0.09 4.23 2.99 0.60 -0.62 117.98 124.39 3dyp s PHE 747 Ca 0.04 -1.40 0.01 0.00 0.00 0.00 0.00 56.93 55.59 3dyp s PHE 747 Cb 0.05 -2.07 -0.02 0.00 0.00 0.00 0.00 43.02 40.98 3dyp s PHE 747 CO -0.10 -0.69 -0.12 0.00 -0.00 0.00 0.00 175.22 174.31 3dyp s ILE 749 N -0.28 1.49 -0.01 0.00 1.09 -0.38 0.11 121.20 123.22 3dyp s ILE 749 Ca 0.02 -0.76 0.05 0.00 -1.10 0.00 0.00 60.65 58.87 3dyp s ILE 749 Cb -0.13 -1.27 -0.01 0.00 -1.06 0.00 0.00 42.46 39.99 3dyp s ILE 749 CO 0.03 0.43 -0.17 -0.70 -0.10 0.00 0.00 174.94 174.42 3dyp s GLU 750 N -0.05 1.36 -0.21 2.79 2.12 0.19 -1.24 118.70 123.66 3dyp s GLU 750 Ca -0.02 -0.62 -0.04 0.00 0.36 0.00 0.00 54.97 54.65 3dyp s GLU 750 Cb -0.11 -1.32 0.11 0.00 0.26 0.00 0.00 34.13 33.06 3dyp s GLU 750 CO 0.02 0.36 0.31 -1.17 -0.54 0.00 0.00 175.26 174.24 3dyp s LEU 751 N -0.43 -0.41 0.00 2.70 2.96 0.23 -0.11 118.68 123.62 3dyp s LEU 751 Ca 0.06 0.18 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 3dyp s LEU 751 Cb -0.07 0.82 0.00 0.00 0.50 0.00 0.00 46.19 47.44 3dyp s LEU 751 CO -0.01 -0.30 0.00 0.61 -1.32 0.00 0.00 176.35 175.34 3dyp n GLY 752 N 5.35 3.28 1.07 7.98 0.00 -1.26 0.89 105.19 122.50 3dyp n GLY 752 Ca -0.05 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.91 3dyp n GLY 752 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dyp n ASN 753 N 3.65 3.03 -4.61 1.61 6.94 -1.26 -4.85 115.26 119.77 3dyp n ASN 753 Ca 0.00 -2.35 -0.33 0.00 -0.02 0.00 0.00 54.58 51.88 3dyp n ASN 753 Cb 0.00 -0.51 -0.11 0.00 -2.36 0.00 0.00 39.78 36.81 3dyp n ASN 753 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3dyp s LYS 754 N -1.79 2.72 0.01 -3.83 1.02 0.26 0.13 119.74 118.26 3dyp s LYS 754 Ca 0.27 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.67 3dyp s LYS 754 Cb 0.19 -2.59 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 3dyp s LYS 754 CO 0.10 0.65 -0.02 1.03 -0.92 0.00 0.00 175.35 176.19 3dyp s ARG 755 N -1.05 0.19 -0.03 1.68 0.52 -0.73 0.77 118.95 120.30 3dyp s ARG 755 Ca 0.14 -0.31 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 3dyp s ARG 755 Cb -0.11 0.00 0.00 0.00 0.52 0.00 0.00 34.95 35.36 3dyp s ARG 755 CO 0.04 -0.01 -0.10 -1.58 0.02 0.00 0.00 175.30 173.66 3dyp s TRP 756 N -0.69 1.08 -0.11 -0.53 0.51 -0.37 -0.86 118.94 117.97 3dyp s TRP 756 Ca -0.07 -0.28 0.02 0.00 -2.12 0.00 0.00 56.10 53.65 3dyp s TRP 756 Cb -0.05 -0.76 0.01 0.00 -0.81 0.00 0.00 33.47 31.87 3dyp s TRP 756 CO -0.00 -0.11 -0.15 -1.14 -0.51 0.00 0.00 176.95 175.03 3dyp s GLN 757 N 0.15 2.26 -0.22 4.98 0.74 0.14 -1.24 119.66 126.47 3dyp s GLN 757 Ca -0.03 -0.57 -0.03 0.00 0.05 0.00 0.00 55.36 54.78 3dyp s GLN 757 Cb -0.09 -1.92 0.00 0.00 1.10 0.00 0.00 33.01 32.10 3dyp s GLN 757 CO 0.01 -0.07 -0.08 -0.06 -0.55 0.00 0.00 175.29 174.54 3dyp s PHE 758 N 1.00 2.93 -0.08 1.67 0.40 0.17 0.57 117.98 124.64 3dyp s PHE 758 Ca -0.06 -1.16 -0.30 0.00 -0.60 0.00 0.00 56.93 54.81 3dyp s PHE 758 Cb -0.15 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.29 3dyp s PHE 758 CO -0.02 -0.63 1.28 1.21 0.70 0.00 0.00 175.22 177.76 3dyp s ASN 759 N 1.42 6.96 0.00 1.36 3.84 -0.23 -0.29 114.94 128.00 3dyp s ASN 759 Ca 0.05 1.84 0.29 0.00 0.21 0.00 0.00 52.86 55.25 3dyp s ASN 759 Cb -0.14 -2.55 1.20 0.00 -0.55 0.00 0.00 41.25 39.20 3dyp s ASN 759 CO -0.05 -0.68 1.86 0.54 -2.79 0.00 0.00 177.10 175.97 3dyp n ARG 760 N 5.80 0.39 0.02 0.43 1.74 0.38 -0.20 116.66 125.22 3dyp n ARG 760 Ca 0.13 -0.10 -0.19 0.00 -0.77 0.00 0.00 57.85 56.91 3dyp n ARG 760 Cb 0.45 -1.50 -0.14 0.00 -1.02 0.00 0.00 32.46 30.25 3dyp n ARG 760 CO 0.00 0.00 0.00 0.37 -1.52 0.00 0.00 177.63 176.48 3dyp h GLN 761 N 0.25 0.24 0.00 5.56 4.15 -1.86 -3.38 115.11 120.07 3dyp h GLN 761 Ca 0.00 -0.42 -0.14 0.00 0.77 0.00 0.00 58.65 58.86 3dyp h GLN 761 Cb 0.39 0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 3dyp h GLN 761 CO 0.00 1.11 -1.58 -1.13 -1.93 0.00 0.00 178.83 175.30 3dyp n SER 762 N -3.43 0.60 -0.21 -0.69 3.41 -1.22 -4.74 113.62 107.34 3dyp n SER 762 Ca -0.26 0.26 -0.03 0.00 -0.26 0.00 0.00 58.87 58.58 3dyp n SER 762 Cb 1.05 0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 65.62 3dyp n SER 762 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dyp n GLY 763 N 1.38 0.60 3.55 5.00 0.00 0.72 -4.82 105.19 111.63 3dyp n GLY 763 Ca -0.10 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.04 3dyp n GLY 763 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dyp s PHE 764 N -2.05 2.53 -0.32 1.61 0.40 -1.22 -4.88 117.98 114.05 3dyp s PHE 764 Ca 0.00 -0.26 -0.28 0.00 -0.60 0.00 0.00 56.93 55.79 3dyp s PHE 764 Cb 0.00 -1.18 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 3dyp s PHE 764 CO 0.00 0.58 1.91 -1.17 0.70 0.00 0.00 175.22 177.25 3dyp s LEU 765 N -3.18 3.48 -0.01 -0.37 2.96 -1.26 -1.07 118.68 119.22 3dyp s LEU 765 Ca 0.27 1.38 0.20 0.00 -0.22 0.00 0.00 54.13 55.76 3dyp s LEU 765 Cb -0.07 -3.43 -0.27 0.00 0.50 0.00 0.00 46.19 42.92 3dyp s LEU 765 CO 0.16 -1.84 0.65 -1.54 -1.32 0.00 0.00 176.35 172.46 3dyp n SER 766 N 10.91 0.61 -3.50 3.68 3.41 0.19 -1.38 113.62 127.54 3dyp n SER 766 Ca 0.25 -0.49 -0.13 0.00 -0.26 0.00 0.00 58.87 58.24 3dyp n SER 766 Cb 0.47 1.47 -0.04 0.00 -0.26 0.00 0.00 64.21 65.85 3dyp n SER 766 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3dyp s GLN 767 N -3.16 0.99 -0.02 4.33 2.00 -0.81 -4.53 119.66 118.46 3dyp s GLN 767 Ca 0.00 -0.09 -0.07 0.00 -2.00 0.00 0.00 55.36 53.20 3dyp s GLN 767 Cb 0.14 0.46 0.01 0.00 0.80 0.00 0.00 33.01 34.42 3dyp s GLN 767 CO 0.84 -0.38 0.16 -1.64 -0.50 0.00 0.00 175.29 173.78 3dyp s MET 768 N -2.31 0.41 0.01 1.67 -1.94 -1.26 0.29 119.30 116.17 3dyp s MET 768 Ca -0.03 -0.17 0.03 0.00 -1.71 0.00 0.00 55.69 53.82 3dyp s MET 768 Cb -0.01 0.18 -0.01 0.00 2.01 0.00 0.00 34.83 37.00 3dyp s MET 768 CO -0.02 -0.09 -0.10 -1.58 -0.01 0.00 0.00 175.02 173.22 3dyp s TRP 769 N -0.89 0.85 -0.31 -0.03 0.51 -0.04 -0.04 118.94 118.99 3dyp s TRP 769 Ca -0.10 -0.26 -0.02 0.00 -2.12 0.00 0.00 56.10 53.61 3dyp s TRP 769 Cb -0.05 -0.53 0.06 0.00 -0.81 0.00 0.00 33.47 32.14 3dyp s TRP 769 CO 0.01 -0.01 0.02 0.42 -0.51 0.00 0.00 176.95 176.88 3dyp s ILE 770 N -0.58 2.97 0.00 2.03 1.01 -0.64 -1.78 121.20 124.21 3dyp s ILE 770 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 60.65 59.15 3dyp s ILE 770 Cb -0.06 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.65 3dyp s ILE 770 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.37 3dyp n GLY 771 N 4.60 1.69 1.76 6.18 0.00 0.35 -0.88 105.19 118.89 3dyp n GLY 771 Ca -0.11 -0.64 0.08 0.00 0.00 0.00 0.00 46.02 45.35 3dyp n GLY 771 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dyp n ASP 772 N 2.61 5.29 -4.60 1.61 5.68 -1.26 -4.85 116.55 121.03 3dyp n ASP 772 Ca 0.00 -2.69 -0.40 0.00 -0.50 0.00 0.00 54.79 51.20 3dyp n ASP 772 Cb 0.00 -0.64 -0.07 0.00 -1.14 0.00 0.00 41.12 39.27 3dyp n ASP 772 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 3dyp s LYS 773 N -2.30 3.97 0.34 0.11 2.20 -0.06 -5.03 119.74 118.97 3dyp s LYS 773 Ca 0.53 0.27 -0.28 0.00 -0.36 0.00 0.00 55.97 56.14 3dyp s LYS 773 Cb 0.38 -3.69 -0.10 0.00 -1.51 0.00 0.00 37.83 32.90 3dyp s LYS 773 CO 0.21 -0.46 1.28 0.15 -0.36 0.00 0.00 175.35 176.17 3dyp s LYS 774 N 2.42 4.29 -0.01 4.03 1.02 -1.26 -1.62 119.74 128.61 3dyp s LYS 774 Ca 0.22 2.16 0.10 0.00 0.02 0.00 0.00 55.97 58.47 3dyp s LYS 774 Cb -0.15 -3.00 -0.15 0.00 -0.52 0.00 0.00 37.83 34.00 3dyp s LYS 774 CO 0.10 -0.22 0.24 1.04 -0.92 0.00 0.00 175.35 175.60 3dyp n GLN 775 N 0.67 0.62 -4.72 1.68 1.13 0.94 -4.76 117.38 112.93 3dyp n GLN 775 Ca 0.01 -0.08 -0.33 0.00 -1.94 0.00 0.00 57.00 54.65 3dyp n GLN 775 Cb 0.43 -1.22 -0.12 0.00 0.11 0.00 0.00 30.24 29.44 3dyp n GLN 775 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3dyp s LEU 776 N -3.60 2.96 -0.15 1.08 1.43 -1.26 -0.03 118.68 119.12 3dyp s LEU 776 Ca -0.03 -0.12 0.17 0.00 -1.03 0.00 0.00 54.13 53.11 3dyp s LEU 776 Cb 0.07 -1.64 -0.24 0.00 0.03 0.00 0.00 46.19 44.40 3dyp s LEU 776 CO 0.42 0.34 0.26 0.18 0.23 0.00 0.00 176.35 177.78 3dyp n LEU 777 N 2.16 0.24 -3.95 1.79 4.77 0.14 -4.70 117.00 117.44 3dyp n LEU 777 Ca -0.17 0.11 -0.18 0.00 -0.03 0.00 0.00 56.01 55.74 3dyp n LEU 777 Cb 0.53 0.39 -0.15 0.00 -2.33 0.00 0.00 43.42 41.85 3dyp n LEU 777 CO 0.27 0.44 -0.41 -0.89 -1.33 0.00 0.00 177.39 175.46 3dyp s THR 778 N -2.57 0.53 0.83 -5.08 2.01 -1.14 -4.95 115.64 105.25 3dyp s THR 778 Ca -0.08 -0.23 -0.14 0.00 0.31 0.00 0.00 61.69 61.55 3dyp s THR 778 Cb 0.07 -0.48 0.06 0.00 0.01 0.00 0.00 72.50 72.16 3dyp s THR 778 CO 0.83 0.17 0.93 -2.65 -0.69 0.00 0.00 174.62 173.21 3dyp n PRO 779 N 3.26 0.07 -2.55 4.92 -0.02 -1.26 -3.28 135.00 136.15 3dyp n PRO 779 Ca -0.17 0.09 -0.43 0.00 -2.02 0.00 0.00 63.50 60.97 3dyp n PRO 779 Cb 0.55 -2.21 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 3dyp n PRO 779 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3dyp s LEU 780 N -3.85 3.58 0.17 2.45 2.96 -0.48 -4.42 118.68 119.09 3dyp s LEU 780 Ca 0.68 0.45 0.08 0.00 -0.22 0.00 0.00 54.13 55.12 3dyp s LEU 780 Cb -0.28 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 42.90 3dyp s LEU 780 CO 0.56 -1.35 -0.16 -0.13 -1.32 0.00 0.00 176.35 173.95 3dyp s ARG 781 N 4.67 1.26 0.66 1.98 0.52 -0.18 -4.22 118.95 123.65 3dyp s ARG 781 Ca 0.49 -1.45 -0.16 0.00 -0.52 0.00 0.00 55.73 54.09 3dyp s ARG 781 Cb -0.08 -1.21 -0.00 0.00 0.52 0.00 0.00 34.95 34.18 3dyp s ARG 781 CO 0.31 0.23 1.17 -0.51 0.02 0.00 0.00 175.30 176.52 3dyp s ASP 782 N -2.87 4.86 -0.03 0.23 1.11 -1.26 -0.85 116.67 117.85 3dyp s ASP 782 Ca 0.17 2.25 -0.01 0.00 0.18 0.00 0.00 52.55 55.15 3dyp s ASP 782 Cb -0.04 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.40 3dyp s ASP 782 CO 0.06 -1.81 0.03 -1.58 1.18 0.00 0.00 175.17 173.05 3dyp s GLN 783 N -3.74 0.14 0.00 8.23 0.74 0.33 -4.76 119.66 120.60 3dyp s GLN 783 Ca 0.73 0.19 0.03 0.00 0.05 0.00 0.00 55.36 56.36 3dyp s GLN 783 Cb -0.27 -0.48 0.01 0.00 1.10 0.00 0.00 33.01 33.37 3dyp s GLN 783 CO 0.39 -0.22 0.44 1.19 -0.55 0.00 0.00 175.29 176.54 3dyp n PHE 784 N 4.59 0.00 -4.58 1.67 3.01 -1.26 -1.93 117.46 118.95 3dyp n PHE 784 Ca -0.18 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.01 3dyp n PHE 784 Cb 0.50 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.87 3dyp n PHE 784 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3dyp s THR 785 N -0.55 1.64 0.04 4.37 -4.23 -1.26 -2.90 115.64 112.74 3dyp s THR 785 Ca 0.03 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 3dyp s THR 785 Cb 0.02 -2.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.00 3dyp s THR 785 CO 0.06 0.00 -0.05 0.00 -0.54 0.00 0.00 174.62 174.08 3dyp s ARG 786 N -3.78 0.47 -0.14 3.99 1.70 -1.26 -4.73 118.95 115.20 3dyp s ARG 786 Ca 0.32 -0.78 -0.29 0.00 -0.47 0.00 0.00 55.73 54.51 3dyp s ARG 786 Cb 0.09 -0.09 -0.05 0.00 -0.57 0.00 0.00 34.95 34.33 3dyp s ARG 786 CO 0.16 -0.01 1.78 0.00 -1.08 0.00 0.00 175.30 176.15 3dyp s ALA 787 N -1.77 3.31 0.32 7.88 0.00 -1.26 -4.85 121.76 125.38 3dyp s ALA 787 Ca -0.10 0.75 -0.29 0.00 0.00 0.00 0.00 51.96 52.33 3dyp s ALA 787 Cb -0.08 -3.87 -0.13 0.00 0.00 0.00 0.00 23.12 19.05 3dyp s ALA 787 CO -0.01 -1.91 1.31 -0.35 0.00 0.00 0.00 175.76 174.79 3dyp n PRO 788 N 7.71 2.10 -1.96 0.00 -0.04 -1.26 -0.93 135.00 140.63 3dyp n PRO 788 Ca 0.20 0.74 -0.30 0.00 -0.04 0.00 0.00 63.50 64.11 3dyp n PRO 788 Cb 0.44 -2.33 0.04 0.00 -0.04 0.00 0.00 33.50 31.61 3dyp n PRO 788 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3dyp s LEU 789 N -0.76 2.94 0.31 1.53 1.43 -1.26 -4.56 118.68 118.32 3dyp s LEU 789 Ca 0.58 1.07 0.05 0.00 -1.03 0.00 0.00 54.13 54.80 3dyp s LEU 789 Cb -0.59 -3.87 0.69 0.00 0.03 0.00 0.00 46.19 42.45 3dyp s LEU 789 CO 0.60 -1.31 1.84 0.44 0.23 0.00 0.00 176.35 178.15 3dyp h ASP 790 N -0.59 0.80 0.67 2.29 3.32 -1.88 0.73 116.42 121.77 3dyp h ASP 790 Ca -0.45 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 3dyp h ASP 790 Cb 1.25 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 3dyp h ASP 790 CO 0.63 0.39 -0.19 0.78 -1.72 0.00 0.00 179.24 179.14 3dyp h ASN 791 N 0.84 0.00 0.99 6.45 2.35 -1.86 0.82 115.58 125.17 3dyp h ASN 791 Ca 0.49 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 56.09 3dyp h ASN 791 Cb 0.65 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 3dyp h ASN 791 CO -0.26 0.19 -0.76 0.44 -1.65 0.00 0.00 177.43 175.39 3dyp h ASP 792 N 0.00 0.00 0.25 5.81 3.32 0.11 -3.34 116.42 122.56 3dyp h ASP 792 Ca -0.00 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.71 3dyp h ASP 792 Cb 0.58 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.10 3dyp h ASP 792 CO 0.02 0.76 -1.87 0.40 -1.72 0.00 0.00 179.24 176.84 3dyp h ILE 793 N 0.00 0.75 0.00 0.35 2.04 -0.51 -1.43 117.51 118.71 3dyp h ILE 793 Ca -0.01 -2.48 0.00 0.00 1.00 0.00 0.00 64.86 63.37 3dyp h ILE 793 Cb 1.46 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 40.07 3dyp h ILE 793 CO 0.10 0.80 0.00 0.61 0.00 0.00 0.00 178.15 179.66 3dyp n GLY 794 N 1.85 2.24 0.83 5.37 0.00 0.22 -1.33 105.19 114.38 3dyp n GLY 794 Ca -0.26 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.33 3dyp n GLY 794 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dyp n VAL 795 N 0.00 0.63 -1.74 1.61 0.24 -1.26 -4.91 118.33 112.89 3dyp n VAL 795 Ca 0.00 -0.60 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 3dyp n VAL 795 Cb 0.00 0.27 -0.01 0.00 -1.47 0.00 0.00 33.84 32.63 3dyp n VAL 795 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3dyp n SER 796 N 0.77 3.69 -4.00 -1.34 2.88 -0.44 -4.79 113.62 110.40 3dyp n SER 796 Ca 0.15 1.17 -0.12 0.00 -1.33 0.00 0.00 58.87 58.74 3dyp n SER 796 Cb 0.39 -1.58 -0.12 0.00 -0.75 0.00 0.00 64.21 62.14 3dyp n SER 796 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3dyp s GLU 797 N -0.96 0.38 0.29 -1.46 2.02 -0.86 -4.90 118.70 113.22 3dyp s GLU 797 Ca 0.61 -0.53 0.04 0.00 0.02 0.00 0.00 54.97 55.11 3dyp s GLU 797 Cb -0.51 -0.16 0.68 0.00 0.10 0.00 0.00 34.13 34.25 3dyp s GLU 797 CO 0.53 0.02 1.75 0.00 0.02 0.00 0.00 175.26 177.59 3dyp h ALA 798 N 5.00 1.51 -0.33 5.21 0.00 -1.99 0.31 119.26 128.98 3dyp h ALA 798 Ca -0.32 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 3dyp h ALA 798 Cb 1.20 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3dyp h ALA 798 CO 0.44 -0.13 -0.48 1.79 0.00 0.00 0.00 179.25 180.86 3dyp h THR 799 N 0.64 1.27 -2.34 0.00 1.35 -2.00 -3.39 112.91 108.43 3dyp h THR 799 Ca 0.54 -1.66 -0.59 0.00 -0.55 0.00 0.00 66.41 64.16 3dyp h THR 799 Cb 0.88 1.54 -0.38 0.00 -1.73 0.00 0.00 68.15 68.45 3dyp h THR 799 CO -0.41 0.55 -0.99 -1.14 -0.25 0.00 0.00 175.52 173.28 3dyp n ARG 800 N -4.04 0.22 -1.79 4.72 0.63 0.64 -5.13 116.66 111.91 3dyp n ARG 800 Ca -0.04 -3.18 -0.40 0.00 -0.92 0.00 0.00 57.85 53.31 3dyp n ARG 800 Cb 0.59 -1.64 0.01 0.00 0.45 0.00 0.00 32.46 31.87 3dyp n ARG 800 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3dyp s ILE 801 N -0.02 2.04 -0.40 5.15 -1.09 0.75 -2.02 121.20 125.61 3dyp s ILE 801 Ca 0.33 0.04 -0.07 0.00 -2.23 0.00 0.00 60.65 58.72 3dyp s ILE 801 Cb 0.05 -3.02 0.08 0.00 -1.58 0.00 0.00 42.46 37.99 3dyp s ILE 801 CO -0.19 0.01 0.22 -0.62 -1.23 0.00 0.00 174.94 173.12 3dyp s ASP 802 N -0.34 5.46 0.22 3.58 2.15 -1.26 -4.84 116.67 121.64 3dyp s ASP 802 Ca 0.58 -1.61 0.21 0.00 0.43 0.00 0.00 52.55 52.15 3dyp s ASP 802 Cb -0.45 -1.92 0.92 0.00 -0.30 0.00 0.00 42.92 41.17 3dyp s ASP 802 CO 0.60 -0.51 1.63 -0.81 -0.17 0.00 0.00 175.17 175.90 3dyp n PRO 803 N 4.81 0.14 0.03 4.34 -0.04 -1.26 -1.49 135.00 141.53 3dyp n PRO 803 Ca -0.09 0.45 0.13 0.00 -0.04 0.00 0.00 63.50 63.95 3dyp n PRO 803 Cb 0.43 -1.82 0.35 0.00 -0.04 0.00 0.00 33.50 32.42 3dyp n PRO 803 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3dyp n ASN 804 N -2.10 0.45 -4.76 3.54 4.05 -1.26 -4.14 115.26 111.04 3dyp n ASN 804 Ca 0.01 0.14 -0.36 0.00 0.45 0.00 0.00 54.58 54.83 3dyp n ASN 804 Cb 0.17 -0.10 0.01 0.00 1.23 0.00 0.00 39.78 41.09 3dyp n ASN 804 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3dyp s ALA 805 N -3.05 2.66 0.16 5.20 0.00 -0.56 -4.70 121.76 121.47 3dyp s ALA 805 Ca 0.11 0.93 -0.16 0.00 0.00 0.00 0.00 51.96 52.83 3dyp s ALA 805 Cb 0.16 -3.41 0.09 0.00 0.00 0.00 0.00 23.12 19.97 3dyp s ALA 805 CO 0.65 -0.93 1.70 -1.49 0.00 0.00 0.00 175.76 175.68 3dyp h TRP 806 N 1.16 -0.04 -0.91 0.00 4.06 -1.83 0.59 115.95 118.98 3dyp h TRP 806 Ca -0.50 0.03 0.04 0.00 2.06 0.00 0.00 58.89 60.51 3dyp h TRP 806 Cb 1.28 0.08 -0.05 0.00 -1.00 0.00 0.00 29.16 29.46 3dyp h TRP 806 CO 0.49 -0.08 0.59 -0.24 -3.56 0.00 0.00 178.44 175.64 3dyp h VAL 807 N 0.09 1.14 -0.44 1.49 3.04 -1.61 0.29 116.25 120.25 3dyp h VAL 807 Ca 0.18 -0.39 -0.06 0.00 -1.01 0.00 0.00 66.70 65.43 3dyp h VAL 807 Cb 0.26 -0.09 -0.02 0.00 -2.01 0.00 0.00 31.29 29.43 3dyp h VAL 807 CO -0.32 0.21 0.05 -0.33 -1.01 0.00 0.00 177.57 176.17 3dyp h GLU 808 N 1.14 0.74 -0.05 4.17 4.39 -1.66 0.47 114.58 123.78 3dyp h GLU 808 Ca 0.37 -0.21 0.01 0.00 0.34 0.00 0.00 59.36 59.86 3dyp h GLU 808 Cb 0.02 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 3dyp h GLU 808 CO -0.12 0.78 -0.00 0.00 -1.16 0.00 0.00 179.01 178.50 3dyp h ARG 809 N 0.59 0.01 -0.79 2.33 3.08 -0.37 0.11 114.38 119.35 3dyp h ARG 809 Ca 0.13 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 3dyp h ARG 809 Cb 0.41 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 3dyp h ARG 809 CO 0.01 0.01 0.37 -1.49 -1.07 0.00 0.00 179.97 177.80 3dyp h TRP 810 N 0.01 1.13 -0.20 3.04 6.55 -0.74 -2.00 115.95 123.74 3dyp h TRP 810 Ca 0.02 -0.05 -0.02 0.00 0.95 0.00 0.00 58.89 59.78 3dyp h TRP 810 Cb 0.03 -0.35 -0.01 0.00 -0.86 0.00 0.00 29.16 27.97 3dyp h TRP 810 CO -0.10 0.82 0.03 0.87 -1.05 0.00 0.00 178.44 179.01 3dyp h LYS 811 N 1.12 0.34 0.00 0.49 1.57 -0.59 -0.69 116.57 118.81 3dyp h LYS 811 Ca 0.27 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3dyp h LYS 811 Cb 0.12 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3dyp h LYS 811 CO -0.03 0.49 -0.06 0.00 -0.57 0.00 0.00 179.45 179.27 3dyp h ALA 812 N 0.84 1.71 -0.00 3.86 0.00 -0.68 0.14 119.26 125.12 3dyp h ALA 812 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dyp h ALA 812 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dyp h ALA 812 CO 0.00 0.08 -0.12 0.00 0.00 0.00 0.00 179.25 179.21 3dyp n ALA 813 N -2.44 2.75 -0.72 0.00 0.00 -0.76 -4.90 120.51 114.43 3dyp n ALA 813 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3dyp n ALA 813 Cb 0.15 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3dyp n ALA 813 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dyp n GLY 814 N 1.33 0.64 0.35 0.00 0.00 0.03 -4.83 105.19 102.71 3dyp n GLY 814 Ca 0.12 -0.04 0.01 0.00 0.00 0.00 0.00 46.02 46.11 3dyp n GLY 814 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3dyp h HIS 815 N 0.00 0.93 0.00 1.61 3.86 -1.34 0.15 115.15 120.36 3dyp h HIS 815 Ca 0.00 0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.16 3dyp h HIS 815 Cb 0.00 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 28.15 3dyp h HIS 815 CO 0.00 0.58 -0.33 1.88 0.86 0.00 0.00 177.93 180.92 3dyp h TYR 816 N 1.00 0.00 0.00 2.45 -1.99 -1.86 -3.34 116.97 113.23 3dyp h TYR 816 Ca 0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 3dyp h TYR 816 Cb -0.09 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.64 3dyp h TYR 816 CO -0.00 0.33 -1.22 1.04 -0.00 0.00 0.00 178.16 178.31 3dyp n GLN 817 N -3.30 0.89 -1.63 4.88 6.02 -0.65 -5.01 117.38 118.57 3dyp n GLN 817 Ca 0.01 -0.06 -0.40 0.00 -0.01 0.00 0.00 57.00 56.54 3dyp n GLN 817 Cb 0.57 -1.38 0.03 0.00 1.02 0.00 0.00 30.24 30.48 3dyp n GLN 817 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dyp n ALA 818 N -1.69 0.44 -2.64 -1.58 0.00 0.43 -5.00 120.51 110.47 3dyp n ALA 818 Ca 0.01 0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.25 3dyp n ALA 818 Cb 0.35 -2.14 -0.11 0.00 0.00 0.00 0.00 19.45 17.56 3dyp n ALA 818 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3dyp s GLU 819 N -2.38 2.88 -1.02 0.00 0.41 -1.24 -4.89 118.70 112.46 3dyp s GLU 819 Ca 0.68 -0.53 -0.23 0.00 -0.41 0.00 0.00 54.97 54.48 3dyp s GLU 819 Cb -0.48 -2.64 0.05 0.00 -1.78 0.00 0.00 34.13 29.27 3dyp s GLU 819 CO 0.53 0.61 1.49 0.00 -0.49 0.00 0.00 175.26 177.40 3dyp s ALA 820 N -0.67 2.68 0.09 5.21 0.00 -1.26 -2.99 121.76 124.82 3dyp s ALA 820 Ca 0.10 -2.24 -0.31 0.00 0.00 0.00 0.00 51.96 49.51 3dyp s ALA 820 Cb -0.11 -4.54 -0.07 0.00 0.00 0.00 0.00 23.12 18.40 3dyp s ALA 820 CO 0.02 -3.67 1.29 0.00 0.00 0.00 0.00 175.76 173.39 3dyp s ALA 821 N 5.22 3.49 -0.09 0.00 0.00 0.23 -4.80 121.76 125.81 3dyp s ALA 821 Ca 0.48 0.98 -0.30 0.00 0.00 0.00 0.00 51.96 53.12 3dyp s ALA 821 Cb -0.00 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 3dyp s ALA 821 CO -0.09 -0.52 1.07 -1.17 0.00 0.00 0.00 175.76 175.06 3dyp s LEU 822 N 1.05 4.25 -0.10 0.00 2.96 -1.26 -0.77 118.68 124.81 3dyp s LEU 822 Ca 0.61 1.62 0.16 0.00 -0.22 0.00 0.00 54.13 56.30 3dyp s LEU 822 Cb -0.33 -3.56 -0.23 0.00 0.50 0.00 0.00 46.19 42.58 3dyp s LEU 822 CO 0.30 -0.50 0.19 0.18 -1.32 0.00 0.00 176.35 175.20 3dyp n LEU 823 N 5.13 0.00 -3.61 -0.68 4.77 0.25 -4.94 117.00 117.92 3dyp n LEU 823 Ca 0.10 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.98 3dyp n LEU 823 Cb 0.48 0.23 -0.06 0.00 -2.33 0.00 0.00 43.42 41.74 3dyp n LEU 823 CO 0.53 0.23 0.75 -1.58 -1.33 0.00 0.00 177.39 176.00 3dyp s GLN 824 N -2.73 0.54 -0.26 3.23 0.74 -0.52 -4.91 119.66 115.75 3dyp s GLN 824 Ca -0.07 0.42 -0.01 0.00 0.05 0.00 0.00 55.36 55.74 3dyp s GLN 824 Cb 0.07 0.26 0.15 0.00 1.10 0.00 0.00 33.01 34.59 3dyp s GLN 824 CO 0.69 -0.11 0.41 0.00 -0.55 0.00 0.00 175.29 175.72 3dyp s THR 826 N 2.58 0.95 -0.04 0.00 -4.23 0.16 -4.96 115.64 110.10 3dyp s THR 826 Ca 0.13 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.63 3dyp s THR 826 Cb -0.14 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.59 3dyp s THR 826 CO -0.21 -0.50 -0.07 0.00 -0.54 0.00 0.00 174.62 173.30 3dyp s ALA 827 N -3.47 0.79 0.03 3.99 0.00 -1.26 -0.47 121.76 121.37 3dyp s ALA 827 Ca 0.23 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.06 3dyp s ALA 827 Cb 0.05 -0.39 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3dyp s ALA 827 CO 0.05 0.06 -0.18 -0.51 0.00 0.00 0.00 175.76 175.18 3dyp s ASP 828 N 0.58 2.16 -0.13 0.00 1.01 0.12 -4.97 116.67 115.44 3dyp s ASP 828 Ca -0.09 -0.47 -0.09 0.00 0.71 0.00 0.00 52.55 52.62 3dyp s ASP 828 Cb -0.12 -0.18 -0.04 0.00 1.01 0.00 0.00 42.92 43.58 3dyp s ASP 828 CO 0.01 0.13 0.18 -0.89 0.21 0.00 0.00 175.17 174.81 3dyp s THR 829 N -0.74 5.43 0.25 -1.27 2.01 -1.26 -0.42 115.64 119.62 3dyp s THR 829 Ca 0.06 0.29 0.01 0.00 0.31 0.00 0.00 61.69 62.36 3dyp s THR 829 Cb -0.08 -3.46 0.01 0.00 0.01 0.00 0.00 72.50 68.97 3dyp s THR 829 CO 0.01 0.56 0.07 0.18 -0.69 0.00 0.00 174.62 174.75 3dyp n LEU 830 N 2.38 0.00 -0.09 4.42 4.77 1.06 -4.96 117.00 124.58 3dyp n LEU 830 Ca -0.18 -1.45 -0.06 0.00 -0.03 0.00 0.00 56.01 54.28 3dyp n LEU 830 Cb 0.54 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 3dyp n LEU 830 CO 0.33 -0.28 0.74 0.00 -1.33 0.00 0.00 177.39 176.86 3dyp h ALA 831 N 0.98 0.09 0.00 -1.18 0.00 -2.02 -3.24 119.26 113.89 3dyp h ALA 831 Ca -0.19 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3dyp h ALA 831 Cb 0.60 0.40 -0.22 0.00 0.00 0.00 0.00 17.79 18.57 3dyp h ALA 831 CO 0.31 -0.55 -0.79 -0.40 0.00 0.00 0.00 179.25 177.82 3dyp n ASP 832 N -5.34 1.21 -3.72 0.00 5.75 -1.26 -4.94 116.55 108.24 3dyp n ASP 832 Ca 0.01 -2.65 -0.03 0.00 -0.01 0.00 0.00 54.79 52.11 3dyp n ASP 832 Cb 0.25 -0.37 -0.01 0.00 -1.03 0.00 0.00 41.12 39.96 3dyp n ASP 832 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dyp s ALA 833 N -1.14 -1.66 -0.15 2.12 0.00 -1.23 -2.08 121.76 117.62 3dyp s ALA 833 Ca 0.33 0.10 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 3dyp s ALA 833 Cb 0.35 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 24.10 3dyp s ALA 833 CO -0.12 -1.05 -0.13 0.08 0.00 0.00 0.00 175.76 174.54 3dyp s VAL 834 N -3.18 2.89 -0.19 0.00 1.01 -0.86 0.34 120.40 120.40 3dyp s VAL 834 Ca 0.13 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.40 3dyp s VAL 834 Cb -0.01 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3dyp s VAL 834 CO 0.02 0.51 -0.11 -0.22 0.00 0.00 0.00 175.10 175.30 3dyp s LEU 835 N 0.74 2.59 -0.17 3.92 2.96 0.43 -1.41 118.68 127.74 3dyp s LEU 835 Ca -0.06 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 3dyp s LEU 835 Cb -0.15 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.89 3dyp s LEU 835 CO 0.01 0.01 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.38 3dyp s ILE 836 N 1.25 3.68 -0.11 6.68 -1.09 0.36 0.11 121.20 132.07 3dyp s ILE 836 Ca 0.03 -0.42 -0.00 0.00 -2.23 0.00 0.00 60.65 58.03 3dyp s ILE 836 Cb -0.14 -2.62 -0.02 0.00 -1.58 0.00 0.00 42.46 38.09 3dyp s ILE 836 CO -0.05 0.47 -0.10 -0.89 -1.23 0.00 0.00 174.94 173.14 3dyp s THR 837 N 0.66 3.33 0.11 2.92 2.01 0.38 -0.30 115.64 124.74 3dyp s THR 837 Ca -0.03 -0.58 0.04 0.00 0.31 0.00 0.00 61.69 61.43 3dyp s THR 837 Cb -0.15 -2.39 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 3dyp s THR 837 CO 0.02 0.54 -0.10 0.42 -0.69 0.00 0.00 174.62 174.81 3dyp s THR 838 N 0.03 1.00 -0.10 -0.82 -4.23 0.07 0.38 115.64 111.97 3dyp s THR 838 Ca -0.03 -1.73 -0.05 0.00 -1.18 0.00 0.00 61.69 58.71 3dyp s THR 838 Cb -0.14 -1.47 0.04 0.00 1.34 0.00 0.00 72.50 72.28 3dyp s THR 838 CO 0.04 -0.59 0.22 0.00 -0.54 0.00 0.00 174.62 173.75 3dyp s ALA 839 N -2.61 -0.48 0.06 3.99 0.00 0.08 -0.65 121.76 122.15 3dyp s ALA 839 Ca 0.08 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.98 3dyp s ALA 839 Cb -0.02 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 3dyp s ALA 839 CO 0.00 -0.20 -0.09 -1.01 0.00 0.00 0.00 175.76 174.46 3dyp s HIS 840 N 1.28 0.80 -0.09 0.00 3.76 -0.43 0.86 115.29 121.48 3dyp s HIS 840 Ca -0.09 -0.57 0.04 0.00 -0.15 0.00 0.00 55.06 54.28 3dyp s HIS 840 Cb -0.11 -0.47 0.00 0.00 1.11 0.00 0.00 32.58 33.12 3dyp s HIS 840 CO -0.08 -0.07 -0.21 0.00 -0.85 0.00 0.00 174.74 173.53 3dyp s ALA 841 N -1.82 1.93 -0.19 -1.40 0.00 0.05 -1.12 121.76 119.21 3dyp s ALA 841 Ca -0.04 -0.83 -0.08 0.00 0.00 0.00 0.00 51.96 51.00 3dyp s ALA 841 Cb -0.07 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 3dyp s ALA 841 CO -0.00 0.26 0.09 -1.58 0.00 0.00 0.00 175.76 174.53 3dyp s TRP 842 N 0.36 3.32 0.18 0.00 0.51 0.68 -0.60 118.94 123.40 3dyp s TRP 842 Ca -0.16 0.19 0.06 0.00 -2.12 0.00 0.00 56.10 54.07 3dyp s TRP 842 Cb -0.17 -2.10 -0.05 0.00 -0.81 0.00 0.00 33.47 30.34 3dyp s TRP 842 CO 0.07 0.23 -0.11 -0.65 -0.51 0.00 0.00 176.95 175.98 3dyp s GLN 843 N 0.30 1.22 -0.05 4.98 -0.21 -1.16 0.41 119.66 125.15 3dyp s GLN 843 Ca 0.05 -1.54 -0.02 0.00 0.02 0.00 0.00 55.36 53.87 3dyp s GLN 843 Cb -0.12 -0.87 0.03 0.00 1.00 0.00 0.00 33.01 33.06 3dyp s GLN 843 CO -0.01 0.11 0.09 -1.58 -2.12 0.00 0.00 175.29 171.78 3dyp s HIS 844 N -3.16 -0.02 -1.61 0.91 2.46 0.76 -3.71 115.29 110.92 3dyp s HIS 844 Ca 0.21 0.35 -0.16 0.00 0.47 0.00 0.00 55.06 55.92 3dyp s HIS 844 Cb 0.01 -0.37 0.12 0.00 -0.13 0.00 0.00 32.58 32.21 3dyp s HIS 844 CO 0.04 -0.20 0.90 1.04 -2.47 0.00 0.00 174.74 174.05 3dyp n GLN 845 N 5.11 -4.48 0.00 2.88 3.00 -1.26 0.12 117.38 122.76 3dyp n GLN 845 Ca -0.08 0.50 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 3dyp n GLN 845 Cb 0.50 -5.33 0.00 0.00 0.00 0.00 0.00 30.24 25.42 3dyp n GLN 845 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3dyp n GLY 846 N -1.55 2.17 3.78 1.08 0.00 -1.26 -5.00 105.19 104.41 3dyp n GLY 846 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 3dyp n GLY 846 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dyp s LYS 847 N -0.57 3.63 -0.31 1.61 2.47 0.34 -5.04 119.74 121.87 3dyp s LYS 847 Ca 0.00 -0.23 -0.21 0.00 -1.56 0.00 0.00 55.97 53.97 3dyp s LYS 847 Cb 0.00 -3.19 -0.00 0.00 -1.46 0.00 0.00 37.83 33.18 3dyp s LYS 847 CO 0.00 0.58 0.68 0.99 0.16 0.00 0.00 175.35 177.76 3dyp s THR 848 N -0.47 4.88 -0.15 3.43 2.01 -1.26 0.27 115.64 124.35 3dyp s THR 848 Ca 0.11 0.93 -0.21 0.00 0.31 0.00 0.00 61.69 62.83 3dyp s THR 848 Cb -0.12 -4.06 -0.24 0.00 0.01 0.00 0.00 72.50 68.09 3dyp s THR 848 CO 0.02 -0.20 0.48 -0.07 -0.69 0.00 0.00 174.62 174.16 3dyp h LEU 849 N 9.29 0.17 -7.86 4.42 3.38 -0.39 -3.42 115.31 120.89 3dyp h LEU 849 Ca -0.26 -0.76 -0.16 0.00 0.09 0.00 0.00 57.88 56.78 3dyp h LEU 849 Cb 1.11 -0.05 -0.21 0.00 0.09 0.00 0.00 40.66 41.59 3dyp h LEU 849 CO 0.83 1.44 -0.61 -0.36 0.09 0.00 0.00 178.44 179.84 3dyp s PHE 850 N -2.38 0.14 -0.09 1.13 0.40 -1.10 -0.98 117.98 115.10 3dyp s PHE 850 Ca -0.23 -0.31 0.03 0.00 -0.60 0.00 0.00 56.93 55.82 3dyp s PHE 850 Cb 0.03 -0.11 0.01 0.00 0.51 0.00 0.00 43.02 43.46 3dyp s PHE 850 CO 0.69 -0.22 -0.17 0.42 0.70 0.00 0.00 175.22 176.64 3dyp s ILE 851 N -1.31 1.57 -0.13 0.64 1.01 0.06 -0.23 121.20 122.80 3dyp s ILE 851 Ca -0.14 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 59.80 3dyp s ILE 851 Cb -0.08 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 3dyp s ILE 851 CO 0.00 0.45 -0.15 -0.55 0.00 0.00 0.00 174.94 174.69 3dyp s SER 852 N 0.66 3.75 -0.16 3.58 0.15 -0.28 -0.24 113.70 121.16 3dyp s SER 852 Ca -0.14 -0.41 0.01 0.00 0.70 0.00 0.00 55.95 56.11 3dyp s SER 852 Cb -0.16 -1.56 0.01 0.00 -1.71 0.00 0.00 66.02 62.59 3dyp s SER 852 CO 0.04 0.14 -0.19 -0.13 1.20 0.00 0.00 173.24 174.30 3dyp s ARG 853 N 0.51 3.08 0.13 5.44 0.52 -0.13 -1.31 118.95 127.19 3dyp s ARG 853 Ca -0.10 -0.81 0.04 0.00 -0.52 0.00 0.00 55.73 54.33 3dyp s ARG 853 Cb -0.16 -2.55 -0.04 0.00 0.52 0.00 0.00 34.95 32.71 3dyp s ARG 853 CO 0.04 -0.07 -0.09 0.15 0.02 0.00 0.00 175.30 175.35 3dyp s LYS 854 N 0.98 0.99 -0.01 3.54 1.02 0.18 -1.01 119.74 125.43 3dyp s LYS 854 Ca -0.03 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.55 3dyp s LYS 854 Cb -0.15 -0.51 0.01 0.00 -0.52 0.00 0.00 37.83 36.66 3dyp s LYS 854 CO -0.04 0.05 0.00 0.95 -0.92 0.00 0.00 175.35 175.39 3dyp s THR 855 N -3.38 0.02 -0.17 2.17 -4.23 -0.95 -0.76 115.64 108.34 3dyp s THR 855 Ca 0.15 0.04 0.01 0.00 -1.18 0.00 0.00 61.69 60.71 3dyp s THR 855 Cb 0.03 -0.06 0.02 0.00 1.34 0.00 0.00 72.50 73.83 3dyp s THR 855 CO -0.01 0.04 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.60 3dyp s TYR 856 N 0.30 2.76 -0.32 3.99 1.51 0.59 -0.70 117.35 125.48 3dyp s TYR 856 Ca -0.03 -1.51 -0.01 0.00 -1.01 0.00 0.00 57.07 54.52 3dyp s TYR 856 Cb -0.04 -1.90 0.07 0.00 -0.11 0.00 0.00 41.96 39.98 3dyp s TYR 856 CO -0.01 -0.73 0.03 0.50 -1.11 0.00 0.00 175.55 174.23 3dyp s ARG 857 N 1.16 2.22 -0.24 -0.62 3.52 0.32 -0.49 118.95 124.83 3dyp s ARG 857 Ca 0.02 -1.45 -0.09 0.00 -0.13 0.00 0.00 55.73 54.09 3dyp s ARG 857 Cb -0.14 -3.22 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 3dyp s ARG 857 CO -0.09 -0.73 0.11 0.42 -0.81 0.00 0.00 175.30 174.19 3dyp s ILE 858 N 1.17 4.82 0.43 4.11 1.01 -0.50 -0.89 121.20 131.36 3dyp s ILE 858 Ca -0.02 -0.00 0.03 0.00 0.00 0.00 0.00 60.65 60.66 3dyp s ILE 858 Cb -0.20 -3.24 0.03 0.00 0.01 0.00 0.00 42.46 39.06 3dyp s ILE 858 CO -0.03 0.36 0.28 -0.90 0.00 0.00 0.00 174.94 174.64 3dyp n ASP 859 N 4.46 2.49 0.00 3.58 5.68 -0.98 -2.04 116.55 129.74 3dyp n ASP 859 Ca -0.16 -2.54 0.04 0.00 -0.50 0.00 0.00 54.79 51.64 3dyp n ASP 859 Cb 0.52 0.01 0.20 0.00 -1.14 0.00 0.00 41.12 40.71 3dyp n ASP 859 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dyp n GLY 860 N -0.18 -0.62 0.07 6.12 0.00 -0.88 -0.21 105.19 109.49 3dyp n GLY 860 Ca -0.04 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.06 3dyp n GLY 860 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dyp h SER 861 N 0.00 0.00 0.00 1.61 4.64 -1.88 -3.39 113.55 114.54 3dyp h SER 861 Ca 0.00 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 3dyp h SER 861 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3dyp h SER 861 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 3dyp n GLY 862 N 1.32 0.76 3.86 -0.77 0.00 0.71 -5.04 105.19 106.03 3dyp n GLY 862 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3dyp n GLY 862 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dyp s GLN 863 N -0.56 3.79 -0.40 1.61 -0.21 -1.26 -4.68 119.66 117.95 3dyp s GLN 863 Ca 0.00 0.23 -0.08 0.00 0.02 0.00 0.00 55.36 55.53 3dyp s GLN 863 Cb 0.00 -3.09 0.07 0.00 1.00 0.00 0.00 33.01 30.99 3dyp s GLN 863 CO 0.00 0.62 0.22 1.41 -2.12 0.00 0.00 175.29 175.42 3dyp s MET 864 N -1.56 2.56 -0.18 2.91 -2.45 0.84 -2.33 119.30 119.09 3dyp s MET 864 Ca 0.28 -1.42 -0.17 0.00 -1.25 0.00 0.00 55.69 53.13 3dyp s MET 864 Cb -0.15 -3.69 -0.04 0.00 1.25 0.00 0.00 34.83 32.20 3dyp s MET 864 CO 0.15 -0.89 0.47 0.00 1.05 0.00 0.00 175.02 175.80 3dyp s ALA 865 N 1.40 3.53 -0.13 4.11 0.00 -0.06 -1.34 121.76 129.27 3dyp s ALA 865 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 51.96 51.57 3dyp s ALA 865 Cb -0.22 -2.71 -0.03 0.00 0.00 0.00 0.00 23.12 20.16 3dyp s ALA 865 CO 0.02 -0.28 -0.03 0.42 0.00 0.00 0.00 175.76 175.89 3dyp s ILE 866 N 1.26 4.00 -0.11 0.00 1.01 0.33 -0.52 121.20 127.17 3dyp s ILE 866 Ca 0.23 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.57 3dyp s ILE 866 Cb -0.15 -2.73 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 3dyp s ILE 866 CO 0.09 0.53 -0.20 -0.89 0.00 0.00 0.00 174.94 174.47 3dyp s THR 867 N -0.04 2.40 -0.04 2.92 2.01 0.12 -1.34 115.64 121.67 3dyp s THR 867 Ca 0.02 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.15 3dyp s THR 867 Cb -0.13 -1.95 0.01 0.00 0.01 0.00 0.00 72.50 70.44 3dyp s THR 867 CO 0.02 0.55 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.69 3dyp s VAL 868 N 0.30 1.07 -0.21 3.82 1.01 0.27 -2.25 120.40 124.42 3dyp s VAL 868 Ca -0.15 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.34 3dyp s VAL 868 Cb -0.17 -0.96 0.05 0.00 0.00 0.00 0.00 36.38 35.31 3dyp s VAL 868 CO 0.07 0.33 -0.07 -1.81 0.00 0.00 0.00 175.10 173.62 3dyp s ASP 869 N 0.32 3.57 0.08 3.32 1.01 -0.18 -0.82 116.67 123.96 3dyp s ASP 869 Ca -0.07 -1.01 0.08 0.00 0.71 0.00 0.00 52.55 52.26 3dyp s ASP 869 Cb -0.12 -1.18 -0.04 0.00 1.01 0.00 0.00 42.92 42.60 3dyp s ASP 869 CO 0.02 -0.19 -0.19 -0.69 0.21 0.00 0.00 175.17 174.33 3dyp s VAL 870 N 1.42 2.74 -0.10 -1.27 1.01 0.61 -0.96 120.40 123.86 3dyp s VAL 870 Ca -0.03 -1.37 0.02 0.00 0.00 0.00 0.00 61.98 60.60 3dyp s VAL 870 Cb -0.17 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 3dyp s VAL 870 CO -0.07 0.22 -0.16 -1.61 0.00 0.00 0.00 175.10 173.48 3dyp s GLU 871 N -1.77 3.00 -0.12 2.72 2.02 0.67 -0.81 118.70 124.42 3dyp s GLU 871 Ca 0.16 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.45 3dyp s GLU 871 Cb -0.10 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.65 3dyp s GLU 871 CO 0.07 0.35 -0.22 0.08 0.02 0.00 0.00 175.26 175.56 3dyp s VAL 872 N -0.03 2.19 0.19 2.63 1.01 0.67 -0.76 120.40 126.30 3dyp s VAL 872 Ca -0.04 -0.96 -0.33 0.00 0.00 0.00 0.00 61.98 60.65 3dyp s VAL 872 Cb -0.14 -1.86 -0.14 0.00 0.00 0.00 0.00 36.38 34.24 3dyp s VAL 872 CO 0.04 0.55 1.45 0.00 0.00 0.00 0.00 175.10 177.14 3dyp n ALA 873 N 3.69 0.88 0.23 5.51 0.00 -0.15 -4.68 120.51 126.00 3dyp n ALA 873 Ca -0.19 0.44 0.07 0.00 0.00 0.00 0.00 53.44 53.75 3dyp n ALA 873 Cb 0.53 -2.27 0.57 0.00 0.00 0.00 0.00 19.45 18.27 3dyp n ALA 873 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3dyp h SER 874 N 4.86 0.02 0.03 0.00 4.64 -1.94 -1.92 113.55 119.23 3dyp h SER 874 Ca -0.45 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 3dyp h SER 874 Cb 1.28 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3dyp h SER 874 CO 0.81 0.10 -0.04 -0.90 -0.87 0.00 0.00 176.83 175.93 3dyp n ASP 875 N -4.44 1.30 -4.88 4.97 5.68 -1.26 -4.85 116.55 113.08 3dyp n ASP 875 Ca -0.03 -1.35 -0.32 0.00 -0.50 0.00 0.00 54.79 52.59 3dyp n ASP 875 Cb 0.16 0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 40.11 3dyp n ASP 875 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 3dyp s THR 876 N -2.08 4.97 0.17 2.12 -1.32 -0.72 -5.03 115.64 113.74 3dyp s THR 876 Ca 0.36 0.39 -0.34 0.00 -1.21 0.00 0.00 61.69 60.90 3dyp s THR 876 Cb 0.21 -3.63 -0.15 0.00 -1.51 0.00 0.00 72.50 67.42 3dyp s THR 876 CO 0.37 -0.08 1.36 -2.65 -2.21 0.00 0.00 174.62 171.41 3dyp n PRO 877 N -0.17 1.61 -1.65 7.08 -0.02 -1.26 -4.83 135.00 135.77 3dyp n PRO 877 Ca 0.00 0.58 -0.47 0.00 -2.02 0.00 0.00 63.50 61.59 3dyp n PRO 877 Cb 0.52 -2.21 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 3dyp n PRO 877 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3dyp n HIS 878 N 2.29 2.07 -1.99 6.00 8.25 -1.26 -4.91 115.22 125.67 3dyp n HIS 878 Ca 0.15 0.38 -0.33 0.00 -0.26 0.00 0.00 57.72 57.66 3dyp n HIS 878 Cb 0.26 -2.48 0.02 0.00 1.12 0.00 0.00 29.99 28.91 3dyp n HIS 878 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3dyp s PRO 879 N 0.62 3.15 0.41 -0.41 0.04 -1.26 -4.88 135.00 132.68 3dyp s PRO 879 Ca 0.79 1.32 0.12 0.00 0.04 0.00 0.00 61.00 63.27 3dyp s PRO 879 Cb -0.74 -2.00 0.86 0.00 0.04 0.00 0.00 34.50 32.66 3dyp s PRO 879 CO 0.42 -0.96 1.93 0.00 0.04 0.00 0.00 177.00 178.43 3dyp h ALA 880 N 0.42 1.56 -2.80 8.56 0.00 -1.88 -3.41 119.26 121.71 3dyp h ALA 880 Ca -0.47 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.32 3dyp h ALA 880 Cb 1.23 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 3dyp h ALA 880 CO 0.56 0.32 0.31 -0.98 0.00 0.00 0.00 179.25 179.47 3dyp s ARG 881 N -4.58 1.64 -0.31 0.00 1.70 -1.20 -0.41 118.95 115.78 3dyp s ARG 881 Ca -0.04 -0.92 -0.02 0.00 -0.47 0.00 0.00 55.73 54.27 3dyp s ARG 881 Cb 0.15 0.55 0.12 0.00 -0.57 0.00 0.00 34.95 35.20 3dyp s ARG 881 CO 0.72 -0.75 0.18 0.42 -1.08 0.00 0.00 175.30 174.78 3dyp s ILE 882 N -3.60 -0.04 0.00 4.99 1.01 -0.29 -4.20 121.20 119.06 3dyp s ILE 882 Ca 0.12 -1.07 0.00 0.00 0.00 0.00 0.00 60.65 59.70 3dyp s ILE 882 Cb -0.05 -1.01 0.00 0.00 0.01 0.00 0.00 42.46 41.41 3dyp s ILE 882 CO 0.06 -0.79 0.00 0.61 0.00 0.00 0.00 174.94 174.82 3dyp n GLY 883 N 4.80 2.51 3.39 6.18 0.00 -0.81 0.38 105.19 121.63 3dyp n GLY 883 Ca 0.01 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.96 3dyp n GLY 883 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dyp s LEU 884 N 0.00 2.56 0.02 0.99 1.43 0.12 -0.51 118.68 123.29 3dyp s LEU 884 Ca 0.00 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 51.96 3dyp s LEU 884 Cb 0.00 -0.84 0.02 0.00 0.03 0.00 0.00 46.19 45.40 3dyp s LEU 884 CO 0.00 -0.08 0.27 0.54 0.23 0.00 0.00 176.35 177.30 3dyp s ASN 885 N -3.35 -0.09 0.14 2.29 4.22 -0.03 -0.62 114.94 117.50 3dyp s ASN 885 Ca 0.25 -0.15 -0.24 0.00 -2.14 0.00 0.00 52.86 50.57 3dyp s ASN 885 Cb -0.03 0.31 0.07 0.00 1.28 0.00 0.00 41.25 42.89 3dyp s ASN 885 CO 0.10 -0.53 0.73 0.00 -2.04 0.00 0.00 177.10 175.36 3dyp s GLN 887 N -3.58 3.09 0.37 0.00 0.74 -1.20 -1.23 119.66 117.83 3dyp s GLN 887 Ca 0.05 -0.87 -0.22 0.00 0.05 0.00 0.00 55.36 54.37 3dyp s GLN 887 Cb -0.02 -3.44 -0.10 0.00 1.10 0.00 0.00 33.01 30.54 3dyp s GLN 887 CO -0.07 -0.47 0.91 -0.51 -0.55 0.00 0.00 175.29 174.60 3dyp s LEU 888 N 1.52 4.12 0.22 3.68 1.43 0.11 0.24 118.68 130.01 3dyp s LEU 888 Ca 0.03 1.68 -0.06 0.00 -1.03 0.00 0.00 54.13 54.76 3dyp s LEU 888 Cb -0.17 -4.24 0.20 0.00 0.03 0.00 0.00 46.19 42.00 3dyp s LEU 888 CO 0.04 -0.21 1.70 0.00 0.23 0.00 0.00 176.35 178.10 3dyp h ALA 889 N 2.50 0.97 -2.92 4.21 0.00 -0.73 0.51 119.26 123.80 3dyp h ALA 889 Ca -0.48 -0.29 -0.53 0.00 0.00 0.00 0.00 54.91 53.61 3dyp h ALA 889 Cb 1.18 -0.21 0.11 0.00 0.00 0.00 0.00 17.79 18.87 3dyp h ALA 889 CO 0.63 0.63 0.61 -1.14 0.00 0.00 0.00 179.25 179.98 3dyp s GLN 890 N -5.01 3.56 -0.20 0.00 2.00 -1.26 -4.13 119.66 114.62 3dyp s GLN 890 Ca -0.11 2.17 -0.03 0.00 -2.00 0.00 0.00 55.36 55.40 3dyp s GLN 890 Cb 0.14 -2.49 0.06 0.00 0.80 0.00 0.00 33.01 31.53 3dyp s GLN 890 CO 0.84 -0.83 0.03 0.08 -0.50 0.00 0.00 175.29 174.90 3dyp s VAL 891 N -1.32 0.60 0.21 1.34 1.01 -1.26 -2.88 120.40 118.11 3dyp s VAL 891 Ca 0.64 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 62.12 3dyp s VAL 891 Cb -0.38 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3dyp s VAL 891 CO 0.47 -0.20 -0.19 0.00 0.00 0.00 0.00 175.10 175.18 3dyp s ALA 892 N 1.82 2.68 0.11 5.51 0.00 -1.26 -5.05 121.76 125.57 3dyp s ALA 892 Ca -0.01 -1.65 -0.15 0.00 0.00 0.00 0.00 51.96 50.15 3dyp s ALA 892 Cb -0.17 -0.42 -0.06 0.00 0.00 0.00 0.00 23.12 22.46 3dyp s ALA 892 CO -0.08 0.41 1.47 1.49 0.00 0.00 0.00 175.76 179.05 3dyp h GLU 893 N 2.94 0.71 -6.17 0.00 4.81 -2.01 -3.43 114.58 111.44 3dyp h GLU 893 Ca -0.45 -0.32 -0.56 0.00 -0.13 0.00 0.00 59.36 57.89 3dyp h GLU 893 Cb 1.22 -0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.49 3dyp h GLU 893 CO 0.52 0.93 -0.63 1.03 -0.73 0.00 0.00 179.01 180.13 3dyp s ARG 894 N -4.56 2.27 -0.10 1.92 1.81 -1.26 -0.75 118.95 118.28 3dyp s ARG 894 Ca -0.12 -1.48 -0.01 0.00 -1.72 0.00 0.00 55.73 52.40 3dyp s ARG 894 Cb 0.09 -2.13 0.03 0.00 -0.45 0.00 0.00 34.95 32.49 3dyp s ARG 894 CO 0.82 0.30 -0.03 0.08 -0.68 0.00 0.00 175.30 175.79 3dyp s VAL 895 N -2.36 0.69 -0.08 3.52 1.01 0.06 -4.55 120.40 118.68 3dyp s VAL 895 Ca 0.33 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3dyp s VAL 895 Cb -0.05 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 3dyp s VAL 895 CO 0.20 0.30 -0.23 0.21 0.00 0.00 0.00 175.10 175.57 3dyp s ASN 896 N 1.84 2.94 0.05 3.32 3.84 -1.07 -1.79 114.94 124.08 3dyp s ASN 896 Ca 0.05 -0.51 -0.11 0.00 0.21 0.00 0.00 52.86 52.49 3dyp s ASN 896 Cb -0.13 -1.07 0.01 0.00 -0.55 0.00 0.00 41.25 39.51 3dyp s ASN 896 CO -0.07 0.19 0.25 -1.66 -2.79 0.00 0.00 177.10 173.02 3dyp s TRP 897 N 0.12 -0.01 -0.36 0.43 -2.14 -0.42 -0.12 118.94 116.45 3dyp s TRP 897 Ca -0.11 -0.22 -0.04 0.00 2.66 0.00 0.00 56.10 58.39 3dyp s TRP 897 Cb -0.16 0.03 0.07 0.00 -3.10 0.00 0.00 33.47 30.32 3dyp s TRP 897 CO 0.06 -0.49 0.12 -1.17 -2.66 0.00 0.00 176.95 172.80 3dyp s LEU 898 N -2.25 4.58 0.00 -4.66 2.96 0.21 -0.37 118.68 119.14 3dyp s LEU 898 Ca -0.03 -1.53 0.00 0.00 -0.22 0.00 0.00 54.13 52.35 3dyp s LEU 898 Cb 0.00 -1.81 0.00 0.00 0.50 0.00 0.00 46.19 44.88 3dyp s LEU 898 CO -0.05 -0.40 0.00 0.61 -1.32 0.00 0.00 176.35 175.19 3dyp n GLY 899 N 4.68 -0.61 3.74 7.98 0.00 -0.80 0.07 105.19 120.26 3dyp n GLY 899 Ca -0.09 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 3dyp n GLY 899 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dyp s LEU 900 N 0.00 4.55 0.00 0.99 1.43 -0.76 -1.49 118.68 123.40 3dyp s LEU 900 Ca 0.00 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 54.86 3dyp s LEU 900 Cb 0.00 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3dyp s LEU 900 CO 0.00 0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.24 3dyp n GLY 901 N 1.96 -1.04 0.12 -3.19 0.00 0.80 -4.46 105.19 99.38 3dyp n GLY 901 Ca -0.01 -0.75 0.12 0.00 0.00 0.00 0.00 46.02 45.38 3dyp n GLY 901 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dyp h PRO 902 N 0.00 0.00 -7.43 1.61 0.13 -1.94 0.23 132.00 124.60 3dyp h PRO 902 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 3dyp h PRO 902 Cb 0.00 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.21 3dyp h PRO 902 CO 0.00 0.00 0.34 -0.65 -0.23 0.00 0.00 178.00 177.46 3dyp s GLN 903 N -3.22 2.45 0.20 0.86 -0.21 -1.26 -4.99 119.66 113.49 3dyp s GLN 903 Ca 0.05 0.13 -0.32 0.00 0.02 0.00 0.00 55.36 55.25 3dyp s GLN 903 Cb 0.10 -2.07 -0.15 0.00 1.00 0.00 0.00 33.01 31.90 3dyp s GLN 903 CO 0.71 -1.20 1.30 -1.91 -2.12 0.00 0.00 175.29 172.06 3dyp n GLU 904 N -3.03 1.61 -3.81 2.91 2.13 -1.26 -4.89 120.64 114.30 3dyp n GLU 904 Ca 0.07 0.57 -0.12 0.00 0.66 0.00 0.00 57.16 58.34 3dyp n GLU 904 Cb 0.59 -2.16 -0.10 0.00 0.27 0.00 0.00 31.44 30.04 3dyp n GLU 904 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 3dyp s ASN 905 N 0.18 -0.14 0.30 4.31 2.20 0.94 -4.93 114.94 117.80 3dyp s ASN 905 Ca 0.71 0.14 0.04 0.00 -0.94 0.00 0.00 52.86 52.81 3dyp s ASN 905 Cb -0.75 0.35 -0.06 0.00 -2.00 0.00 0.00 41.25 38.78 3dyp s ASN 905 CO 0.50 -0.27 0.04 -0.31 -2.94 0.00 0.00 177.10 174.12 3dyp s TYR 906 N -0.75 1.84 0.27 1.54 1.51 -0.69 -3.93 117.35 117.14 3dyp s TYR 906 Ca -0.08 -0.96 -0.00 0.00 -1.01 0.00 0.00 57.07 55.01 3dyp s TYR 906 Cb -0.05 -1.15 0.59 0.00 -0.11 0.00 0.00 41.96 41.24 3dyp s TYR 906 CO 0.02 -0.02 1.71 -1.35 -1.11 0.00 0.00 175.55 174.79 3dyp h PRO 907 N 2.23 0.39 -0.52 -1.71 0.11 -1.85 0.38 132.00 131.02 3dyp h PRO 907 Ca -0.40 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3dyp h PRO 907 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3dyp h PRO 907 CO 0.67 0.26 0.00 -0.40 -0.21 0.00 0.00 178.00 178.32 3dyp n ASP 908 N -5.05 3.03 -3.04 -2.05 5.75 -1.26 -4.38 116.55 109.55 3dyp n ASP 908 Ca 0.18 -1.97 -0.16 0.00 -0.01 0.00 0.00 54.79 52.82 3dyp n ASP 908 Cb 0.54 -0.35 -0.01 0.00 -1.03 0.00 0.00 41.12 40.27 3dyp n ASP 908 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3dyp n ARG 909 N 1.16 0.89 0.00 0.11 0.63 0.13 -0.51 116.66 119.07 3dyp n ARG 909 Ca 0.19 -2.83 0.00 0.00 -0.92 0.00 0.00 57.85 54.29 3dyp n ARG 909 Cb 0.49 -1.41 0.00 0.00 0.45 0.00 0.00 32.46 31.99 3dyp n ARG 909 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 3dyp n LEU 910 N 0.78 0.33 0.19 6.15 -0.00 -0.92 -1.71 117.00 121.82 3dyp n LEU 910 Ca 0.18 -0.33 0.04 0.00 -0.00 0.00 0.00 56.01 55.90 3dyp n LEU 910 Cb 0.63 0.00 0.44 0.00 -0.00 0.00 0.00 43.42 44.49 3dyp n LEU 910 CO 0.15 0.08 0.86 0.71 -0.00 0.00 0.00 177.39 179.19 3dyp h THR 911 N 2.15 1.17 0.00 1.47 1.35 -1.91 -2.27 112.91 114.88 3dyp h THR 911 Ca 0.00 -0.82 -0.08 0.00 -0.55 0.00 0.00 66.41 64.96 3dyp h THR 911 Cb 0.82 1.39 -0.01 0.00 -1.73 0.00 0.00 68.15 68.61 3dyp h THR 911 CO 0.00 0.24 -0.40 0.00 -0.25 0.00 0.00 175.52 175.11 3dyp h ALA 912 N 1.73 0.82 -2.73 6.62 0.00 -1.88 -3.46 119.26 120.37 3dyp h ALA 912 Ca 0.01 -0.36 -0.52 0.00 0.00 0.00 0.00 54.91 54.04 3dyp h ALA 912 Cb 0.41 -0.06 0.09 0.00 0.00 0.00 0.00 17.79 18.23 3dyp h ALA 912 CO 0.03 0.50 0.47 0.00 0.00 0.00 0.00 179.25 180.24 3dyp s ALA 913 N -3.24 2.69 0.06 0.00 0.00 -0.86 -4.99 121.76 115.42 3dyp s ALA 913 Ca 0.03 0.94 0.07 0.00 0.00 0.00 0.00 51.96 53.00 3dyp s ALA 913 Cb 0.09 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 3dyp s ALA 913 CO 0.71 -0.93 -0.17 0.00 0.00 0.00 0.00 175.76 175.37 3dyp s PHE 915 N -0.99 3.25 0.00 0.00 5.36 -1.26 -0.14 117.98 124.20 3dyp s PHE 915 Ca 0.16 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 3dyp s PHE 915 Cb -0.11 -3.45 0.00 0.00 -0.34 0.00 0.00 43.02 39.12 3dyp s PHE 915 CO 0.07 -0.61 0.00 -3.47 -1.46 0.00 0.00 175.22 169.75 3dyp n ASP 916 N 6.55 0.00 -4.55 6.13 -0.08 -0.56 -4.90 116.55 119.14 3dyp n ASP 916 Ca 0.11 -0.88 -0.37 0.00 -1.51 0.00 0.00 54.79 52.14 3dyp n ASP 916 Cb 0.47 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.81 3dyp n ASP 916 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 3dyp s ARG 917 N -1.65 3.87 0.25 -0.67 6.06 -1.26 -1.90 118.95 123.64 3dyp s ARG 917 Ca 0.00 -0.37 0.11 0.00 -2.50 0.00 0.00 55.73 52.97 3dyp s ARG 917 Cb 0.00 -3.50 -0.05 0.00 0.06 0.00 0.00 34.95 31.46 3dyp s ARG 917 CO 0.00 -0.12 -0.13 -1.58 -2.50 0.00 0.00 175.30 170.97 3dyp s TRP 918 N 1.53 2.48 -0.29 5.12 0.52 0.50 -4.98 118.94 123.82 3dyp s TRP 918 Ca 0.07 -0.28 -0.03 0.00 0.02 0.00 0.00 56.10 55.88 3dyp s TRP 918 Cb -0.15 -1.13 0.17 0.00 -1.15 0.00 0.00 33.47 31.21 3dyp s TRP 918 CO 0.07 0.62 0.57 0.34 0.02 0.00 0.00 176.95 178.57 3dyp s ASP 919 N -3.33 -1.07 0.15 2.95 -1.08 -1.26 -1.30 116.67 111.73 3dyp s ASP 919 Ca 0.28 0.89 0.04 0.00 -0.52 0.00 0.00 52.55 53.24 3dyp s ASP 919 Cb -0.06 2.00 -0.04 0.00 -1.46 0.00 0.00 42.92 43.35 3dyp s ASP 919 CO 0.16 -0.26 -0.08 -0.76 0.52 0.00 0.00 175.17 174.75 3dyp s LEU 920 N 2.81 2.45 0.55 -1.34 1.43 -0.74 -4.97 118.68 118.88 3dyp s LEU 920 Ca 0.15 -1.05 -0.20 0.00 -1.03 0.00 0.00 54.13 52.00 3dyp s LEU 920 Cb -0.15 -0.26 -0.05 0.00 0.03 0.00 0.00 46.19 45.77 3dyp s LEU 920 CO -0.20 -0.40 1.21 -2.16 0.23 0.00 0.00 176.35 175.04 3dyp s PRO 921 N -3.79 3.19 0.25 1.29 0.04 -1.26 -0.76 135.00 133.96 3dyp s PRO 921 Ca 0.18 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 3dyp s PRO 921 Cb 0.04 -2.07 0.47 0.00 0.04 0.00 0.00 34.50 32.97 3dyp s PRO 921 CO 0.01 -1.03 1.76 1.25 0.04 0.00 0.00 177.00 179.02 3dyp h LEU 922 N 1.23 0.45 -2.20 -3.56 5.85 -1.21 -1.35 115.31 114.51 3dyp h LEU 922 Ca -0.50 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.30 3dyp h LEU 922 Cb 1.28 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 3dyp h LEU 922 CO 0.57 0.20 -0.04 0.77 -0.34 0.00 0.00 178.44 179.59 3dyp h SER 923 N 0.57 0.00 0.44 1.25 4.64 -1.91 0.09 113.55 118.64 3dyp h SER 923 Ca 0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3dyp h SER 923 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 3dyp h SER 923 CO -0.35 0.04 0.00 0.47 -0.87 0.00 0.00 176.83 176.12 3dyp n ASP 924 N -3.99 0.46 -0.59 4.97 8.00 -0.51 -1.35 116.55 123.55 3dyp n ASP 924 Ca -0.03 0.64 0.12 0.00 0.71 0.00 0.00 54.79 56.23 3dyp n ASP 924 Cb 0.13 -0.73 0.40 0.00 -0.02 0.00 0.00 41.12 40.89 3dyp n ASP 924 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3dyp n MET 925 N -2.04 1.79 -4.90 -1.24 2.81 0.02 -4.77 117.12 108.79 3dyp n MET 925 Ca 0.01 -1.17 -0.33 0.00 -1.81 0.00 0.00 57.70 54.41 3dyp n MET 925 Cb 0.15 -1.43 -0.14 0.00 -0.71 0.00 0.00 33.22 31.09 3dyp n MET 925 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3dyp s TYR 926 N -1.84 2.72 -0.25 2.03 5.04 -0.45 -4.41 117.35 120.18 3dyp s TYR 926 Ca 0.34 -0.50 -0.07 0.00 -2.44 0.00 0.00 57.07 54.40 3dyp s TYR 926 Cb 0.19 -1.73 -0.03 0.00 0.35 0.00 0.00 41.96 40.74 3dyp s TYR 926 CO 0.29 -0.08 0.07 0.99 -1.34 0.00 0.00 175.55 175.48 3dyp s THR 927 N -0.09 4.29 -0.90 4.34 2.01 -1.26 -4.96 115.64 119.07 3dyp s THR 927 Ca -0.03 -0.19 -0.08 0.00 0.31 0.00 0.00 61.69 61.70 3dyp s THR 927 Cb -0.14 -3.01 -0.14 0.00 0.01 0.00 0.00 72.50 69.22 3dyp s THR 927 CO 0.04 0.33 3.18 -0.81 -0.69 0.00 0.00 174.62 176.67 3dyp n PRO 928 N 4.92 3.02 -1.66 4.92 -0.04 -1.26 -4.88 135.00 140.02 3dyp n PRO 928 Ca -0.16 -1.81 -0.45 0.00 -0.04 0.00 0.00 63.50 61.03 3dyp n PRO 928 Cb 0.51 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 3dyp n PRO 928 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3dyp n TYR 929 N 2.88 2.10 -0.32 0.54 4.02 -1.26 -4.85 117.16 120.27 3dyp n TYR 929 Ca 0.62 0.43 -0.01 0.00 -0.01 0.00 0.00 57.90 58.93 3dyp n TYR 929 Cb 0.52 -2.46 0.12 0.00 -0.02 0.00 0.00 39.34 37.51 3dyp n TYR 929 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3dyp h VAL 930 N 3.11 1.13 -3.60 -0.72 2.07 -1.96 -3.29 116.25 112.99 3dyp h VAL 930 Ca -0.45 -0.38 -0.69 0.00 0.82 0.00 0.00 66.70 66.00 3dyp h VAL 930 Cb 1.28 -0.06 -0.19 0.00 -1.52 0.00 0.00 31.29 30.80 3dyp h VAL 930 CO 0.77 0.20 -0.36 0.12 0.02 0.00 0.00 177.57 178.33 3dyp s PHE 931 N -6.09 3.21 0.54 1.57 5.36 -1.26 -0.64 117.98 120.67 3dyp s PHE 931 Ca -0.13 -0.31 -0.21 0.00 -0.96 0.00 0.00 56.93 55.33 3dyp s PHE 931 Cb 0.18 -2.65 -0.05 0.00 -0.34 0.00 0.00 43.02 40.15 3dyp s PHE 931 CO 0.80 -0.52 1.23 -2.14 -1.46 0.00 0.00 175.22 173.13 3dyp s PRO 932 N 1.88 3.25 0.26 10.12 0.02 -1.24 -4.96 135.00 144.33 3dyp s PRO 932 Ca 0.09 1.90 -0.19 0.00 0.02 0.00 0.00 61.00 62.82 3dyp s PRO 932 Cb -0.18 -2.15 0.07 0.00 0.02 0.00 0.00 34.50 32.27 3dyp s PRO 932 CO 0.11 -1.00 0.93 -1.13 -0.33 0.00 0.00 177.00 175.58 3dyp n SER 933 N -1.13 -1.92 -4.61 2.53 3.41 -1.26 -4.73 113.62 105.91 3dyp n SER 933 Ca 0.11 -2.15 -0.44 0.00 -0.26 0.00 0.00 58.87 56.14 3dyp n SER 933 Cb 0.48 3.15 -0.01 0.00 -0.26 0.00 0.00 64.21 67.57 3dyp n SER 933 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3dyp n GLU 934 N -0.64 1.48 -3.77 4.33 4.07 -0.10 -4.94 120.64 121.06 3dyp n GLU 934 Ca -0.05 0.52 -0.06 0.00 -0.06 0.00 0.00 57.16 57.51 3dyp n GLU 934 Cb 0.58 -1.96 -0.02 0.00 -0.06 0.00 0.00 31.44 29.98 3dyp n GLU 934 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 3dyp s ASN 935 N -0.55 -0.26 0.00 4.31 2.20 -1.26 -4.91 114.94 114.48 3dyp s ASN 935 Ca 0.59 -0.45 0.00 0.00 -0.94 0.00 0.00 52.86 52.06 3dyp s ASN 935 Cb -0.65 0.61 0.00 0.00 -2.00 0.00 0.00 41.25 39.21 3dyp s ASN 935 CO 0.60 -1.11 0.00 0.61 -2.94 0.00 0.00 177.10 174.26 3dyp n GLY 936 N -0.45 0.34 3.69 0.45 0.00 -1.26 -4.83 105.19 103.13 3dyp n GLY 936 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 3dyp n GLY 936 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3dyp n LEU 937 N 0.00 5.26 -4.05 0.99 7.94 -1.26 -4.62 117.00 121.27 3dyp n LEU 937 Ca 0.00 0.82 -0.25 0.00 -1.11 0.00 0.00 56.01 55.48 3dyp n LEU 937 Cb 0.17 -1.50 -0.16 0.00 0.53 0.00 0.00 43.42 42.46 3dyp n LEU 937 CO 0.00 -1.27 -0.47 -0.13 -1.11 0.00 0.00 177.39 174.40 3dyp s ARG 938 N -3.16 1.68 0.33 1.96 3.00 0.60 -0.04 118.95 123.32 3dyp s ARG 938 Ca 0.80 -0.45 0.05 0.00 0.00 0.00 0.00 55.73 56.13 3dyp s ARG 938 Cb -0.39 -1.41 0.05 0.00 0.00 0.00 0.00 34.95 33.20 3dyp s ARG 938 CO 0.43 0.08 0.40 0.00 0.00 0.00 0.00 175.30 176.21 3dyp n GLY 940 N 0.98 -0.48 3.77 0.00 0.00 -1.21 -1.82 105.19 106.43 3dyp n GLY 940 Ca 0.07 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 3dyp n GLY 940 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dyp s THR 941 N -3.19 5.31 -0.30 2.61 2.01 0.08 -3.76 115.64 118.40 3dyp s THR 941 Ca 0.63 0.50 0.14 0.00 0.31 0.00 0.00 61.69 63.26 3dyp s THR 941 Cb -0.33 -3.59 -0.19 0.00 0.01 0.00 0.00 72.50 68.40 3dyp s THR 941 CO 0.77 0.46 0.43 0.54 -0.69 0.00 0.00 174.62 176.13 3dyp n ARG 942 N 3.06 1.36 -3.64 4.92 5.12 0.11 -1.47 116.66 126.13 3dyp n ARG 942 Ca -0.14 -0.07 -0.10 0.00 -1.93 0.00 0.00 57.85 55.61 3dyp n ARG 942 Cb 0.52 -1.25 -0.07 0.00 -1.16 0.00 0.00 32.46 30.51 3dyp n ARG 942 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 3dyp s GLU 943 N -2.67 0.77 -0.03 5.56 2.12 -1.16 -2.14 118.70 121.14 3dyp s GLU 943 Ca -0.01 1.13 0.03 0.00 0.36 0.00 0.00 54.97 56.48 3dyp s GLU 943 Cb 0.10 0.26 0.00 0.00 0.26 0.00 0.00 34.13 34.75 3dyp s GLU 943 CO 0.57 -0.13 -0.11 -1.17 -0.54 0.00 0.00 175.26 173.88 3dyp s LEU 944 N 1.07 1.81 -0.09 2.70 2.96 -0.05 -0.62 118.68 126.45 3dyp s LEU 944 Ca -0.06 -0.23 0.04 0.00 -0.22 0.00 0.00 54.13 53.66 3dyp s LEU 944 Cb -0.05 -0.67 0.00 0.00 0.50 0.00 0.00 46.19 45.98 3dyp s LEU 944 CO -0.11 0.08 -0.22 0.20 -1.32 0.00 0.00 176.35 174.99 3dyp s ASN 945 N 0.18 2.82 -0.21 3.68 0.01 0.83 -0.66 114.94 121.59 3dyp s ASN 945 Ca -0.04 -0.50 -0.05 0.00 -0.71 0.00 0.00 52.86 51.56 3dyp s ASN 945 Cb -0.10 -1.26 0.11 0.00 0.41 0.00 0.00 41.25 40.42 3dyp s ASN 945 CO 0.01 0.14 0.39 -0.47 -1.51 0.00 0.00 177.10 175.66 3dyp s TYR 946 N 0.38 -0.79 0.00 2.20 5.04 -0.40 -2.58 117.35 121.18 3dyp s TYR 946 Ca -0.17 1.19 0.00 0.00 -2.44 0.00 0.00 57.07 55.65 3dyp s TYR 946 Cb -0.17 0.16 0.00 0.00 0.35 0.00 0.00 41.96 42.30 3dyp s TYR 946 CO 0.08 -0.58 0.00 0.41 -1.34 0.00 0.00 175.55 174.12 3dyp n GLY 947 N 5.38 3.07 0.02 8.97 0.00 -1.26 -0.69 105.19 120.68 3dyp n GLY 947 Ca -0.06 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 45.85 3dyp n GLY 947 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dyp n PRO 948 N 13.75 0.06 -3.29 1.61 -0.04 -1.26 -4.86 135.00 140.97 3dyp n PRO 948 Ca 0.00 0.04 -0.32 0.00 -0.04 0.00 0.00 63.50 63.18 3dyp n PRO 948 Cb 0.00 -1.56 -0.05 0.00 -0.04 0.00 0.00 33.50 31.84 3dyp n PRO 948 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 3dyp s HIS 949 N -3.03 3.41 -0.04 0.54 3.76 0.13 0.98 115.29 121.05 3dyp s HIS 949 Ca 0.12 0.99 -0.00 0.00 -0.15 0.00 0.00 55.06 56.02 3dyp s HIS 949 Cb 0.17 -2.36 0.03 0.00 1.11 0.00 0.00 32.58 31.53 3dyp s HIS 949 CO 0.58 0.18 0.01 -1.14 -0.85 0.00 0.00 174.74 173.53 3dyp s GLN 950 N -2.97 0.27 -0.07 1.40 0.74 -0.25 -1.28 119.66 117.50 3dyp s GLN 950 Ca 0.50 0.15 0.01 0.00 0.05 0.00 0.00 55.36 56.07 3dyp s GLN 950 Cb -0.11 -0.57 -0.03 0.00 1.10 0.00 0.00 33.01 33.40 3dyp s GLN 950 CO 0.21 -0.21 -0.10 -1.58 -0.55 0.00 0.00 175.29 173.06 3dyp s TRP 951 N 1.44 2.84 0.06 1.67 0.51 0.17 -1.56 118.94 124.07 3dyp s TRP 951 Ca -0.04 -0.14 0.05 0.00 -2.12 0.00 0.00 56.10 53.84 3dyp s TRP 951 Cb -0.13 -1.71 -0.03 0.00 -0.81 0.00 0.00 33.47 30.79 3dyp s TRP 951 CO -0.03 0.19 -0.13 1.03 -0.51 0.00 0.00 176.95 177.50 3dyp s ARG 952 N -0.57 0.78 0.00 4.98 0.52 0.64 -0.88 118.95 124.43 3dyp s ARG 952 Ca 0.08 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 3dyp s ARG 952 Cb -0.12 -0.76 0.00 0.00 0.52 0.00 0.00 34.95 34.60 3dyp s ARG 952 CO 0.02 0.17 0.00 0.41 0.02 0.00 0.00 175.30 175.91 3dyp n GLY 953 N 1.37 -0.56 2.71 -3.53 0.00 -0.91 -0.63 105.19 103.64 3dyp n GLY 953 Ca -0.21 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 3dyp n GLY 953 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dyp s ASP 954 N -4.00 -0.56 0.36 1.61 2.15 -1.22 -4.18 116.67 110.83 3dyp s ASP 954 Ca 0.00 -1.98 0.04 0.00 0.43 0.00 0.00 52.55 51.04 3dyp s ASP 954 Cb 0.00 1.23 -0.03 0.00 -0.30 0.00 0.00 42.92 43.82 3dyp s ASP 954 CO 0.00 -0.10 0.16 0.72 -0.17 0.00 0.00 175.17 175.77 3dyp s PHE 955 N 0.79 1.72 0.14 -5.34 -0.12 -0.54 -4.90 117.98 109.74 3dyp s PHE 955 Ca 0.29 -1.35 0.09 0.00 -0.05 0.00 0.00 56.93 55.91 3dyp s PHE 955 Cb -0.01 -1.00 -0.04 0.00 -0.63 0.00 0.00 43.02 41.35 3dyp s PHE 955 CO -0.09 -0.44 -0.17 -0.65 -0.05 0.00 0.00 175.22 173.83 3dyp s GLN 956 N -3.73 1.82 0.10 1.99 -1.52 0.22 -0.74 119.66 117.81 3dyp s GLN 956 Ca 0.31 -1.24 -0.22 0.00 -1.95 0.00 0.00 55.36 52.25 3dyp s GLN 956 Cb 0.04 -2.09 0.06 0.00 -0.22 0.00 0.00 33.01 30.79 3dyp s GLN 956 CO 0.17 0.46 0.55 -0.59 -0.25 0.00 0.00 175.29 175.63 3dyp s PHE 957 N -1.35 -0.45 0.12 0.91 -0.12 -0.57 0.76 117.98 117.28 3dyp s PHE 957 Ca 0.20 0.37 0.04 0.00 -0.05 0.00 0.00 56.93 57.49 3dyp s PHE 957 Cb -0.10 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.67 3dyp s PHE 957 CO 0.11 -0.73 -0.09 0.54 -0.05 0.00 0.00 175.22 175.00 3dyp s ASN 958 N -2.36 1.55 -0.21 1.98 2.20 -0.58 -0.29 114.94 117.23 3dyp s ASN 958 Ca -0.02 -0.98 -0.11 0.00 -0.94 0.00 0.00 52.86 50.81 3dyp s ASN 958 Cb -0.00 0.02 0.07 0.00 -2.00 0.00 0.00 41.25 39.34 3dyp s ASN 958 CO -0.07 -0.36 0.51 -0.51 -2.94 0.00 0.00 177.10 173.73 3dyp s ILE 959 N -3.26 -0.09 0.21 0.54 2.07 -1.26 -1.61 121.20 117.81 3dyp s ILE 959 Ca 0.13 0.06 -0.21 0.00 -1.41 0.00 0.00 60.65 59.22 3dyp s ILE 959 Cb 0.02 -0.76 0.07 0.00 0.13 0.00 0.00 42.46 41.93 3dyp s ILE 959 CO -0.01 0.03 1.00 -0.94 -1.91 0.00 0.00 174.94 173.11 3dyp s SER 960 N 1.61 -0.01 -0.05 4.50 1.04 -0.34 -4.62 113.70 115.83 3dyp s SER 960 Ca -0.09 -0.72 0.10 0.00 0.48 0.00 0.00 55.95 55.72 3dyp s SER 960 Cb -0.08 0.55 0.39 0.00 0.10 0.00 0.00 66.02 66.98 3dyp s SER 960 CO -0.15 -1.08 1.24 0.54 0.98 0.00 0.00 173.24 174.76 3dyp n ARG 961 N -0.66 2.42 -4.94 4.02 5.12 -1.26 0.08 116.66 121.43 3dyp n ARG 961 Ca -0.04 -1.54 -0.28 0.00 -1.93 0.00 0.00 57.85 54.06 3dyp n ARG 961 Cb 0.60 -1.56 -0.17 0.00 -1.16 0.00 0.00 32.46 30.17 3dyp n ARG 961 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3dyp s TYR 962 N -1.67 2.01 0.63 -1.55 1.51 -1.26 -0.58 117.35 116.44 3dyp s TYR 962 Ca 0.28 -0.73 -0.15 0.00 -1.01 0.00 0.00 57.07 55.46 3dyp s TYR 962 Cb 0.17 -1.37 -0.01 0.00 -0.11 0.00 0.00 41.96 40.64 3dyp s TYR 962 CO 0.14 -0.30 1.08 -1.54 -1.11 0.00 0.00 175.55 173.83 3dyp s SER 963 N 0.32 5.41 0.28 2.29 1.04 -1.26 -4.81 113.70 116.98 3dyp s SER 963 Ca -0.13 1.89 -0.02 0.00 0.48 0.00 0.00 55.95 58.18 3dyp s SER 963 Cb -0.15 -2.54 0.42 0.00 0.10 0.00 0.00 66.02 63.85 3dyp s SER 963 CO 0.05 -1.42 1.93 1.56 0.98 0.00 0.00 173.24 176.34 3dyp h GLN 964 N 0.15 1.13 -0.69 4.02 1.08 -1.99 -0.34 115.11 118.46 3dyp h GLN 964 Ca -0.47 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 3dyp h GLN 964 Cb 1.23 -0.25 -0.03 0.00 -0.05 0.00 0.00 27.48 28.37 3dyp h GLN 964 CO 0.56 0.74 0.44 0.37 -0.95 0.00 0.00 178.83 180.00 3dyp h GLN 965 N 1.16 0.92 -0.43 1.46 4.15 -1.99 -0.85 115.11 119.53 3dyp h GLN 965 Ca 0.36 -0.07 -0.05 0.00 0.77 0.00 0.00 58.65 59.67 3dyp h GLN 965 Cb -0.01 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 3dyp h GLN 965 CO -0.10 0.63 0.08 0.37 -1.93 0.00 0.00 178.83 177.88 3dyp h GLN 966 N 0.94 0.70 -0.87 1.69 4.15 -1.60 -1.97 115.11 118.16 3dyp h GLN 966 Ca 0.25 -0.18 0.01 0.00 0.77 0.00 0.00 58.65 59.50 3dyp h GLN 966 Cb -0.08 -0.09 -0.04 0.00 0.21 0.00 0.00 27.48 27.48 3dyp h GLN 966 CO -0.05 0.72 0.57 -0.07 -1.93 0.00 0.00 178.83 178.08 3dyp h LEU 967 N 0.57 0.99 -1.08 -2.39 3.38 -0.57 -1.45 115.31 114.75 3dyp h LEU 967 Ca 0.13 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3dyp h LEU 967 Cb 0.35 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3dyp h LEU 967 CO 0.01 0.72 -0.35 -0.03 0.09 0.00 0.00 178.44 178.88 3dyp h MET 968 N 1.17 0.00 -0.02 1.13 4.05 -1.01 -2.82 114.93 117.43 3dyp h MET 968 Ca 0.32 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 3dyp h MET 968 Cb -0.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.66 3dyp h MET 968 CO -0.07 0.35 -0.08 0.39 0.23 0.00 0.00 176.91 177.73 3dyp n GLU 969 N -3.61 1.83 -4.24 0.39 1.02 -0.75 -4.85 120.64 110.42 3dyp n GLU 969 Ca -0.01 -1.35 -0.34 0.00 -0.02 0.00 0.00 57.16 55.44 3dyp n GLU 969 Cb 0.47 -1.47 -0.15 0.00 -0.02 0.00 0.00 31.44 30.27 3dyp n GLU 969 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3dyp s THR 970 N -2.11 2.85 -0.60 2.62 2.01 -0.60 -5.01 115.64 114.80 3dyp s THR 970 Ca 0.30 -0.69 0.25 0.00 0.31 0.00 0.00 61.69 61.86 3dyp s THR 970 Cb 0.20 -2.24 0.26 0.00 0.01 0.00 0.00 72.50 70.74 3dyp s THR 970 CO 0.37 0.49 1.63 0.77 -0.69 0.00 0.00 174.62 177.19 3dyp h SER 971 N 7.67 0.00 -3.89 3.53 4.64 -1.88 -3.37 113.55 120.25 3dyp h SER 971 Ca -0.38 -0.02 -0.36 0.00 -0.47 0.00 0.00 61.79 60.55 3dyp h SER 971 Cb 1.17 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.97 3dyp h SER 971 CO 0.60 0.01 -0.77 -1.00 -0.87 0.00 0.00 176.83 174.80 3dyp s HIS 972 N -3.16 0.64 0.49 4.77 3.76 -1.26 -4.35 115.29 116.19 3dyp s HIS 972 Ca 0.08 -0.13 0.17 0.00 -0.15 0.00 0.00 55.06 55.03 3dyp s HIS 972 Cb 0.10 -0.44 1.21 0.00 1.11 0.00 0.00 32.58 34.56 3dyp s HIS 972 CO 0.64 -0.04 2.10 0.07 -0.85 0.00 0.00 174.74 176.66 3dyp h ARG 973 N 6.16 0.00 0.00 1.40 0.11 -1.08 -1.56 114.38 119.41 3dyp h ARG 973 Ca -0.31 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.77 3dyp h ARG 973 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3dyp h ARG 973 CO 0.50 0.07 0.00 1.12 0.10 0.00 0.00 179.97 181.76 3dyp h HIS 974 N 0.00 0.00 -0.01 4.08 2.07 -1.92 -2.37 115.15 117.00 3dyp h HIS 974 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3dyp h HIS 974 Cb 0.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.11 3dyp h HIS 974 CO 0.00 0.00 -0.26 1.28 -3.07 0.00 0.00 177.93 175.88 3dyp n LEU 975 N -2.32 1.13 -4.78 6.12 4.77 -0.59 -4.91 117.00 116.43 3dyp n LEU 975 Ca 0.01 -0.31 -0.37 0.00 -0.03 0.00 0.00 56.01 55.31 3dyp n LEU 975 Cb 0.21 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 3dyp n LEU 975 CO 0.19 0.21 0.79 -0.76 -1.33 0.00 0.00 177.39 176.48 3dyp s LEU 976 N -2.47 4.05 -0.01 2.23 1.43 -0.90 -5.04 118.68 117.98 3dyp s LEU 976 Ca 0.25 2.18 0.05 0.00 -1.03 0.00 0.00 54.13 55.58 3dyp s LEU 976 Cb 0.19 -4.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.16 3dyp s LEU 976 CO 0.51 -0.74 -0.17 -1.38 0.23 0.00 0.00 176.35 174.80 3dyp s HIS 977 N -1.61 1.56 0.31 0.29 -3.43 -1.26 -5.11 115.29 106.04 3dyp s HIS 977 Ca 0.61 -0.30 -0.29 0.00 -0.80 0.00 0.00 55.06 54.28 3dyp s HIS 977 Cb -0.25 -1.00 -0.11 0.00 -1.43 0.00 0.00 32.58 29.79 3dyp s HIS 977 CO 0.31 -0.02 1.50 0.00 -2.00 0.00 0.00 174.74 174.52 3dyp s ALA 978 N -0.42 3.64 0.75 -1.38 0.00 -1.26 -4.86 121.76 118.24 3dyp s ALA 978 Ca 0.07 1.48 -0.04 0.00 0.00 0.00 0.00 51.96 53.46 3dyp s ALA 978 Cb -0.07 -3.60 0.13 0.00 0.00 0.00 0.00 23.12 19.58 3dyp s ALA 978 CO -0.01 -0.91 1.04 -1.21 0.00 0.00 0.00 175.76 174.68 3dyp s GLU 979 N -1.03 1.59 0.44 0.00 2.02 0.25 -5.01 118.70 116.96 3dyp s GLU 979 Ca 0.58 -0.87 -0.24 0.00 0.02 0.00 0.00 54.97 54.46 3dyp s GLU 979 Cb -0.45 -2.23 -0.08 0.00 0.10 0.00 0.00 34.13 31.47 3dyp s GLU 979 CO 0.51 -1.56 1.23 -2.00 0.02 0.00 0.00 175.26 173.47 3dyp s GLU 980 N -5.27 3.80 2.08 1.61 2.12 -1.26 -4.77 118.70 117.00 3dyp s GLU 980 Ca 0.66 1.96 0.00 0.00 0.36 0.00 0.00 54.97 57.95 3dyp s GLU 980 Cb -0.06 -2.55 0.00 0.00 0.26 0.00 0.00 34.13 31.79 3dyp s GLU 980 CO 0.46 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 175.01 3dyp n GLY 981 N 0.59 -0.71 3.08 -1.50 0.00 -1.26 -4.81 105.19 100.58 3dyp n GLY 981 Ca 0.06 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 3dyp n GLY 981 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dyp s THR 982 N 0.00 1.52 -0.16 2.61 2.01 0.17 -4.69 115.64 117.11 3dyp s THR 982 Ca 0.00 -0.68 -0.24 0.00 0.31 0.00 0.00 61.69 61.08 3dyp s THR 982 Cb 0.00 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 3dyp s THR 982 CO 0.00 0.44 0.78 0.26 -0.69 0.00 0.00 174.62 175.42 3dyp s TRP 983 N 0.75 3.43 -0.17 4.92 0.52 0.11 0.08 118.94 128.59 3dyp s TRP 983 Ca -0.11 1.20 -0.01 0.00 0.02 0.00 0.00 56.10 57.19 3dyp s TRP 983 Cb -0.16 -2.95 -0.01 0.00 -1.15 0.00 0.00 33.47 29.20 3dyp s TRP 983 CO 0.02 -0.19 -0.11 -1.17 0.02 0.00 0.00 176.95 175.52 3dyp s LEU 984 N 1.94 2.66 -0.27 2.99 2.96 -0.37 -1.19 118.68 127.41 3dyp s LEU 984 Ca 0.37 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 3dyp s LEU 984 Cb -0.17 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 44.93 3dyp s LEU 984 CO 0.13 0.07 -0.04 0.20 -1.32 0.00 0.00 176.35 175.39 3dyp s ASN 985 N 0.91 4.52 -0.22 3.68 0.01 -0.63 -2.33 114.94 120.88 3dyp s ASN 985 Ca -0.03 -1.03 -0.01 0.00 -0.71 0.00 0.00 52.86 51.08 3dyp s ASN 985 Cb -0.15 -1.68 0.01 0.00 0.41 0.00 0.00 41.25 39.85 3dyp s ASN 985 CO -0.00 -0.18 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.68 3dyp s ILE 986 N 1.29 2.73 -0.08 0.60 1.01 0.20 -1.52 121.20 125.43 3dyp s ILE 986 Ca -0.02 -0.86 -0.01 0.00 0.00 0.00 0.00 60.65 59.76 3dyp s ILE 986 Cb -0.18 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 3dyp s ILE 986 CO -0.03 0.37 -0.01 -1.81 0.00 0.00 0.00 174.94 173.46 3dyp s ASP 987 N 1.35 5.17 0.08 3.58 1.01 0.23 0.15 116.67 128.25 3dyp s ASP 987 Ca 0.03 0.13 -0.07 0.00 0.71 0.00 0.00 52.55 53.35 3dyp s ASP 987 Cb -0.15 -1.44 -0.23 0.00 1.01 0.00 0.00 42.92 42.11 3dyp s ASP 987 CO -0.07 0.38 1.17 1.23 0.21 0.00 0.00 175.17 178.09 3dyp h GLY 988 N 5.16 0.44 -4.93 0.21 0.00 -0.35 0.66 103.07 104.25 3dyp h GLY 988 Ca -0.51 -0.97 -0.16 0.00 0.00 0.00 0.00 47.33 45.70 3dyp h GLY 988 CO 0.54 0.85 -0.53 -1.36 0.00 0.00 0.00 176.54 176.04 3dyp s PHE 989 N -2.88 0.02 -0.01 5.60 0.40 -0.64 -4.67 117.98 115.81 3dyp s PHE 989 Ca -0.06 -0.07 -0.00 0.00 -0.60 0.00 0.00 56.93 56.20 3dyp s PHE 989 Cb 0.07 -0.04 0.01 0.00 0.51 0.00 0.00 43.02 43.57 3dyp s PHE 989 CO 0.89 -0.23 0.02 -1.58 0.70 0.00 0.00 175.22 175.03 3dyp s HIS 990 N -1.07 -0.01 0.59 0.36 2.46 -1.26 -1.14 115.29 115.21 3dyp s HIS 990 Ca -0.12 0.08 -0.18 0.00 0.47 0.00 0.00 55.06 55.31 3dyp s HIS 990 Cb -0.06 -0.07 -0.04 0.00 -0.13 0.00 0.00 32.58 32.28 3dyp s HIS 990 CO 0.01 -0.04 1.16 1.41 -2.47 0.00 0.00 174.74 174.81 3dyp s MET 991 N 0.36 3.06 1.13 2.88 1.75 0.45 -4.75 119.30 124.18 3dyp s MET 991 Ca -0.03 1.68 -0.13 0.00 -1.25 0.00 0.00 55.69 55.96 3dyp s MET 991 Cb -0.04 -1.96 0.27 0.00 2.84 0.00 0.00 34.83 35.94 3dyp s MET 991 CO -0.01 -1.10 1.04 0.20 -0.65 0.00 0.00 175.02 174.50 3dyp s GLY 992 N -1.83 1.55 0.00 2.11 0.00 -0.33 -4.73 107.32 104.09 3dyp s GLY 992 Ca 0.74 -0.19 0.22 0.00 0.00 0.00 0.00 44.72 45.49 3dyp s GLY 992 CO 0.32 0.51 0.61 0.29 0.00 0.00 0.00 173.10 174.83 3dyp n ILE 993 N -4.77 0.07 -4.56 0.90 -5.35 -1.26 -4.94 119.36 99.44 3dyp n ILE 993 Ca 0.03 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3dyp n ILE 993 Cb 0.55 0.07 0.00 0.00 -1.74 0.00 0.00 39.64 38.52 3dyp n ILE 993 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dyp n GLY 994 N 1.28 -0.58 0.00 3.28 0.00 -1.26 -4.76 105.19 103.15 3dyp n GLY 994 Ca -0.03 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3dyp n GLY 994 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dyp n GLY 995 N 0.00 0.04 0.48 -0.02 0.00 -1.26 -0.63 105.19 103.81 3dyp n GLY 995 Ca 0.00 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.32 3dyp n GLY 995 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3dyp h ASP 996 N 0.00 0.10 -5.17 1.61 3.32 -1.80 -1.62 116.42 112.86 3dyp h ASP 996 Ca 0.00 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 3dyp h ASP 996 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 3dyp h ASP 996 CO 0.00 0.02 0.04 1.51 -1.72 0.00 0.00 179.24 179.09 3dyp s ASP 997 N -5.35 0.03 -0.21 6.45 1.47 -1.26 -4.13 116.67 113.67 3dyp s ASP 997 Ca -0.06 -0.97 0.11 0.00 1.18 0.00 0.00 52.55 52.81 3dyp s ASP 997 Cb 0.23 0.69 0.43 0.00 -0.34 0.00 0.00 42.92 43.93 3dyp s ASP 997 CO 0.79 -1.33 1.21 -1.20 0.68 0.00 0.00 175.17 175.32 3dyp n SER 998 N -0.76 2.30 0.00 2.11 7.64 -1.26 -4.68 113.62 118.97 3dyp n SER 998 Ca -0.03 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.12 3dyp n SER 998 Cb 0.61 -0.48 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 3dyp n SER 998 CO 0.00 0.00 0.00 -2.67 -3.01 0.00 0.00 175.04 169.36 3dyp n TRP 999 N -0.93 0.00 -3.66 1.43 2.14 -1.26 -4.09 117.44 111.07 3dyp n TRP 999 Ca 0.23 0.00 -0.12 0.00 2.07 0.00 0.00 57.50 59.68 3dyp n TRP 999 Cb 0.78 0.00 -0.06 0.00 -0.81 0.00 0.00 31.31 31.22 3dyp n TRP 999 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 3dyp s SER 1000N 0.00 -0.27 0.10 -0.67 1.04 -1.26 -4.51 113.70 108.14 3dyp s SER 1000Ca 0.00 -0.09 -0.33 0.00 0.48 0.00 0.00 55.95 56.01 3dyp s SER 1000Cb 0.00 0.44 -0.13 0.00 0.10 0.00 0.00 66.02 66.43 3dyp s SER 1000CO 0.00 -0.72 1.69 -2.65 0.98 0.00 0.00 173.24 172.54 3dyp n PRO 1001N 0.30 2.27 0.00 4.02 -0.02 -1.26 -4.80 135.00 135.51 3dyp n PRO 1001Ca -0.18 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3dyp n PRO 1001Cb 0.61 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 3dyp n PRO 1001CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3dyp n SER 1002N 4.43 0.67 -4.69 2.55 3.41 -1.26 -5.01 113.62 113.72 3dyp n SER 1002Ca 0.18 -1.23 -0.42 0.00 -0.26 0.00 0.00 58.87 57.14 3dyp n SER 1002Cb 0.30 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.22 3dyp n SER 1002CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dyp s VAL 1003N -0.23 4.84 0.54 -3.33 1.01 -1.26 -4.37 120.40 117.61 3dyp s VAL 1003Ca 0.00 1.94 -0.21 0.00 0.00 0.00 0.00 61.98 63.71 3dyp s VAL 1003Cb 0.00 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 3dyp s VAL 1003CO 0.00 0.07 1.23 -0.55 0.00 0.00 0.00 175.10 175.85 3dyp s SER 1004N 1.05 5.50 0.30 3.32 0.15 -1.26 -4.86 113.70 117.90 3dyp s SER 1004Ca 0.47 2.44 0.05 0.00 0.70 0.00 0.00 55.95 59.61 3dyp s SER 1004Cb -0.19 -2.61 0.76 0.00 -1.71 0.00 0.00 66.02 62.28 3dyp s SER 1004CO 0.20 -1.39 1.71 0.00 1.20 0.00 0.00 173.24 174.96 3dyp h ALA 1005N 1.34 1.52 0.00 5.45 0.00 -1.96 0.20 119.26 125.81 3dyp h ALA 1005Ca -0.50 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3dyp h ALA 1005Cb 1.28 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.18 3dyp h ALA 1005CO 0.57 -0.31 0.00 -0.85 0.00 0.00 0.00 179.25 178.66 3dyp n GLU 1006N -5.00 0.05 -0.17 0.00 0.00 -1.26 -1.84 120.64 112.42 3dyp n GLU 1006Ca 0.23 0.43 0.05 0.00 0.00 0.00 0.00 57.16 57.87 3dyp n GLU 1006Cb 0.67 -1.63 0.15 0.00 0.00 0.00 0.00 31.44 30.63 3dyp n GLU 1006CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3dyp n PHE 1007N -1.73 0.45 -3.30 -1.84 3.01 0.70 -4.96 117.46 109.80 3dyp n PHE 1007Ca 0.01 -0.50 -0.37 0.00 1.01 0.00 0.00 57.45 57.60 3dyp n PHE 1007Cb 0.09 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.48 3dyp n PHE 1007CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3dyp s GLN 1008N -1.01 4.10 -1.29 -1.08 -0.21 -0.77 -1.19 119.66 118.21 3dyp s GLN 1008Ca 0.22 0.63 -0.13 0.00 0.02 0.00 0.00 55.36 56.10 3dyp s GLN 1008Cb 0.12 -3.07 0.13 0.00 1.00 0.00 0.00 33.01 31.18 3dyp s GLN 1008CO 0.15 0.55 1.76 1.28 -2.12 0.00 0.00 175.29 176.91 3dyp n LEU 1009N 1.23 5.82 -0.59 2.90 4.77 -1.26 -4.68 117.00 125.19 3dyp n LEU 1009Ca -0.07 -4.34 0.05 0.00 -0.03 0.00 0.00 56.01 51.62 3dyp n LEU 1009Cb 0.51 -1.62 0.14 0.00 -2.33 0.00 0.00 43.42 40.13 3dyp n LEU 1009CO 0.42 0.84 0.62 -1.54 -1.33 0.00 0.00 177.39 176.40 3dyp n SER 1010N 5.84 2.84 0.16 -1.43 3.41 -1.26 -4.32 113.62 118.86 3dyp n SER 1010Ca 0.43 -1.99 0.13 0.00 -0.26 0.00 0.00 58.87 57.17 3dyp n SER 1010Cb 0.41 -0.21 0.56 0.00 -0.26 0.00 0.00 64.21 64.71 3dyp n SER 1010CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dyp h ALA 1011N 1.87 1.00 0.00 7.33 0.00 -1.98 -3.46 119.26 124.01 3dyp h ALA 1011Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dyp h ALA 1011Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3dyp h ALA 1011CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3dyp n GLY 1012N -0.37 1.68 3.16 0.00 0.00 -1.26 -4.90 105.19 103.49 3dyp n GLY 1012Ca 0.01 -0.16 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 3dyp n GLY 1012CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dyp s ARG 1013N 0.00 2.40 -0.00 1.61 0.52 -1.26 -0.24 118.95 121.98 3dyp s ARG 1013Ca 0.00 -0.71 0.04 0.00 -0.52 0.00 0.00 55.73 54.54 3dyp s ARG 1013Cb 0.00 -1.91 -0.01 0.00 0.52 0.00 0.00 34.95 33.55 3dyp s ARG 1013CO 0.00 0.17 -0.12 0.71 0.02 0.00 0.00 175.30 176.09 3dyp s TYR 1014N 0.32 1.03 -0.02 -0.53 1.51 0.01 -4.97 117.35 114.70 3dyp s TYR 1014Ca -0.14 -0.22 0.05 0.00 -1.01 0.00 0.00 57.07 55.76 3dyp s TYR 1014Cb -0.16 -0.65 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 3dyp s TYR 1014CO 0.06 -0.01 -0.16 -1.58 -1.11 0.00 0.00 175.55 172.75 3dyp s HIS 1015N -0.36 1.46 0.09 2.71 2.46 -1.26 -0.29 115.29 120.10 3dyp s HIS 1015Ca 0.04 -0.31 -0.18 0.00 0.47 0.00 0.00 55.06 55.08 3dyp s HIS 1015Cb -0.05 -0.95 0.04 0.00 -0.13 0.00 0.00 32.58 31.49 3dyp s HIS 1015CO -0.00 -0.05 0.43 1.52 -2.47 0.00 0.00 174.74 174.17 3dyp s TYR 1016N -0.27 -0.28 -0.04 3.88 -0.85 0.00 -5.00 117.35 114.79 3dyp s TYR 1016Ca 0.04 0.10 -0.07 0.00 -0.52 0.00 0.00 57.07 56.62 3dyp s TYR 1016Cb -0.07 0.28 0.01 0.00 0.38 0.00 0.00 41.96 42.56 3dyp s TYR 1016CO -0.00 -0.67 0.17 1.14 -1.52 0.00 0.00 175.55 174.67 3dyp s GLN 1017N -3.23 0.29 0.03 -3.49 -2.07 -1.26 0.97 119.66 110.90 3dyp s GLN 1017Ca -0.01 0.05 0.00 0.00 -1.82 0.00 0.00 55.36 53.58 3dyp s GLN 1017Cb 0.01 0.13 -0.02 0.00 -1.09 0.00 0.00 33.01 32.04 3dyp s GLN 1017CO -0.08 -0.05 -0.03 -0.51 -1.32 0.00 0.00 175.29 173.29 3dyp s LEU 1018N -0.37 2.28 -0.14 2.60 1.43 -0.45 -4.29 118.68 119.73 3dyp s LEU 1018Ca -0.05 -0.58 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 3dyp s LEU 1018Cb -0.03 0.09 0.00 0.00 0.03 0.00 0.00 46.19 46.28 3dyp s LEU 1018CO 0.01 -0.33 -0.19 -0.69 0.23 0.00 0.00 176.35 175.38 3dyp s VAL 1019N -1.80 2.36 -0.19 -1.59 1.01 0.19 0.12 120.40 120.50 3dyp s VAL 1019Ca -0.12 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 60.94 3dyp s VAL 1019Cb -0.07 -1.97 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 3dyp s VAL 1019CO -0.02 0.53 -0.04 0.86 0.00 0.00 0.00 175.10 176.43 3dyp s TRP 1020N 0.79 2.97 0.20 5.22 -0.11 -0.45 -0.26 118.94 127.29 3dyp s TRP 1020Ca -0.07 -0.68 -0.06 0.00 1.22 0.00 0.00 56.10 56.51 3dyp s TRP 1020Cb -0.16 -2.04 -0.02 0.00 -1.50 0.00 0.00 33.47 29.75 3dyp s TRP 1020CO -0.00 -0.35 0.27 0.00 -4.62 0.00 0.00 176.95 172.24 3dyp s GLN 1022N -4.06 3.68 0.00 0.00 -2.07 -1.26 -1.09 119.66 114.86 3dyp s GLN 1022Ca 0.28 -0.41 0.00 0.00 -1.82 0.00 0.00 55.36 53.41 3dyp s GLN 1022Cb 0.04 -3.03 0.00 0.00 -1.09 0.00 0.00 33.01 28.93 3dyp s GLN 1022CO 0.08 0.35 0.00 1.63 -1.32 0.00 0.00 175.29 176.03