#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nu1 n ALA 2 N 0.00 0.88 -1.33 2.41 0.00 -1.26 -4.95 120.51 116.26 1nu1 n ALA 2 Ca 0.00 0.10 -0.29 0.00 0.00 0.00 0.00 53.44 53.25 1nu1 n ALA 2 Cb 0.00 -2.51 0.16 0.00 0.00 0.00 0.00 19.45 17.10 1nu1 n ALA 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1nu1 s THR 3 N 5.84 2.00 0.01 0.00 -4.23 -1.26 -4.80 115.64 113.21 1nu1 s THR 3 Ca 1.02 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 61.28 1nu1 s THR 3 Cb -0.80 -2.61 -0.18 0.00 1.34 0.00 0.00 72.50 70.25 1nu1 s THR 3 CO 0.51 0.00 1.38 0.22 -0.54 0.00 0.00 174.62 176.20 1nu1 h TYR 4 N -1.74 -0.10 0.00 3.99 3.20 -1.98 0.24 116.97 120.58 1nu1 h TYR 4 Ca -0.53 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.34 1nu1 h TYR 4 Cb 1.33 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.64 1nu1 h TYR 4 CO 0.28 0.22 0.00 0.00 -1.64 0.00 0.00 178.16 177.02 1nu1 n ALA 5 N -2.31 -0.17 -0.33 1.82 0.00 -1.26 -1.26 120.51 117.00 1nu1 n ALA 5 Ca -0.08 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.63 1nu1 n ALA 5 Cb 0.20 0.31 0.51 0.00 0.00 0.00 0.00 19.45 20.47 1nu1 n ALA 5 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1nu1 h GLN 6 N 0.00 0.04 -0.25 0.00 4.20 -1.92 0.93 115.11 118.11 1nu1 h GLN 6 Ca 0.00 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 1nu1 h GLN 6 Cb 0.00 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1nu1 h GLN 6 CO 0.00 0.03 0.03 0.00 -0.67 0.00 0.00 178.83 178.22 1nu1 h ALA 7 N 1.98 1.59 -0.11 3.87 0.00 0.88 -2.11 119.26 125.35 1nu1 h ALA 7 Ca 0.78 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.51 1nu1 h ALA 7 Cb 1.95 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1nu1 h ALA 7 CO -0.78 0.31 -0.17 -0.07 0.00 0.00 0.00 179.25 178.53 1nu1 h LEU 8 N 0.36 0.17 -0.21 0.00 3.38 0.22 -2.01 115.31 117.22 1nu1 h LEU 8 Ca 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nu1 h LEU 8 Cb 0.19 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1nu1 h LEU 8 CO 0.00 0.36 0.00 1.56 0.09 0.00 0.00 178.44 180.46 1nu1 h GLN 9 N 0.17 0.00 0.00 1.13 4.20 -1.41 -3.18 115.11 116.03 1nu1 h GLN 9 Ca 0.03 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 1nu1 h GLN 9 Cb 0.41 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1nu1 h GLN 9 CO 0.03 0.00 -0.35 0.66 -0.67 0.00 0.00 178.83 178.50 1nu1 h SER 10 N 0.00 0.00 -2.62 1.46 4.64 -1.20 -3.44 113.55 112.39 1nu1 h SER 10 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1nu1 h SER 10 Cb 0.72 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.83 1nu1 h SER 10 CO 0.00 0.35 1.05 -0.69 -0.87 0.00 0.00 176.83 176.67 1nu1 s VAL 11 N -4.13 3.04 0.29 0.95 1.01 -1.20 -4.95 120.40 115.41 1nu1 s VAL 11 Ca -0.02 0.40 -0.29 0.00 0.00 0.00 0.00 61.98 62.07 1nu1 s VAL 11 Cb 0.14 -3.26 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 1nu1 s VAL 11 CO 0.71 -0.01 1.36 -2.84 0.00 0.00 0.00 175.10 174.32 1nu1 s PRO 12 N 3.06 4.32 0.27 2.72 0.02 -1.26 -4.93 135.00 139.19 1nu1 s PRO 12 Ca 0.76 2.24 -0.31 0.00 0.02 0.00 0.00 61.00 63.72 1nu1 s PRO 12 Cb -0.40 -3.09 -0.12 0.00 0.02 0.00 0.00 34.50 30.90 1nu1 s PRO 12 CO 0.33 -0.29 1.58 -1.91 -0.33 0.00 0.00 177.00 176.38 1nu1 n GLU 13 N 1.56 2.57 -2.34 5.54 2.13 -1.26 -4.91 120.64 123.93 1nu1 n GLU 13 Ca 0.03 0.92 -0.43 0.00 0.66 0.00 0.00 57.16 58.34 1nu1 n GLU 13 Cb 0.41 -2.69 -0.02 0.00 0.27 0.00 0.00 31.44 29.41 1nu1 n GLU 13 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1nu1 s THR 14 N 0.19 4.14 -0.29 6.31 2.01 -1.26 -4.84 115.64 121.90 1nu1 s THR 14 Ca 0.67 1.37 -0.28 0.00 0.31 0.00 0.00 61.69 63.77 1nu1 s THR 14 Cb -0.53 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.09 1nu1 s THR 14 CO 0.46 -0.13 1.00 -1.10 -0.69 0.00 0.00 174.62 174.16 1nu1 s GLN 15 N 3.64 4.12 -0.04 4.92 -1.52 -0.05 -4.92 119.66 125.80 1nu1 s GLN 15 Ca 0.58 1.07 0.02 0.00 -1.95 0.00 0.00 55.36 55.08 1nu1 s GLN 15 Cb -0.24 -3.70 -0.03 0.00 -0.22 0.00 0.00 33.01 28.82 1nu1 s GLN 15 CO 0.18 -0.76 -0.06 0.08 -0.25 0.00 0.00 175.29 174.48 1nu1 s VAL 16 N 3.36 3.76 -0.15 1.09 1.01 -1.26 -1.45 120.40 126.76 1nu1 s VAL 16 Ca 0.42 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1nu1 s VAL 16 Cb -0.14 -2.58 0.04 0.00 0.00 0.00 0.00 36.38 33.70 1nu1 s VAL 16 CO 0.12 0.51 0.38 -0.55 0.00 0.00 0.00 175.10 175.56 1nu1 s SER 17 N -1.08 -0.41 -0.15 3.32 0.15 -0.78 -5.01 113.70 109.74 1nu1 s SER 17 Ca 0.15 0.77 -0.06 0.00 0.70 0.00 0.00 55.95 57.51 1nu1 s SER 17 Cb -0.11 0.75 -0.04 0.00 -1.71 0.00 0.00 66.02 64.91 1nu1 s SER 17 CO 0.04 -0.15 0.06 -1.58 1.20 0.00 0.00 173.24 172.82 1nu1 s GLN 18 N 0.50 3.66 0.34 5.44 0.74 -1.26 0.82 119.66 129.90 1nu1 s GLN 18 Ca -0.02 -0.32 -0.12 0.00 0.05 0.00 0.00 55.36 54.95 1nu1 s GLN 18 Cb -0.04 -3.12 -0.08 0.00 1.10 0.00 0.00 33.01 30.87 1nu1 s GLN 18 CO -0.03 0.46 0.72 -1.17 -0.55 0.00 0.00 175.29 174.73 1nu1 s LEU 19 N -0.17 3.99 -1.24 3.68 2.96 0.10 -4.94 118.68 123.06 1nu1 s LEU 19 Ca 0.07 1.16 -0.18 0.00 -0.22 0.00 0.00 54.13 54.96 1nu1 s LEU 19 Cb -0.12 -3.99 -0.00 0.00 0.50 0.00 0.00 46.19 42.58 1nu1 s LEU 19 CO 0.01 -0.26 1.95 0.47 -1.32 0.00 0.00 176.35 177.20 1nu1 n ASP 20 N -0.70 3.89 0.13 3.68 8.00 -1.26 -2.73 116.55 127.55 1nu1 n ASP 20 Ca 0.03 -2.82 0.00 0.00 0.71 0.00 0.00 54.79 52.71 1nu1 n ASP 20 Cb 0.53 -1.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.02 1nu1 n ASP 20 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1nu1 n ASN 21 N 8.60 -2.31 0.00 -2.24 2.85 -1.26 -4.72 115.26 116.18 1nu1 n ASN 21 Ca 0.49 0.70 0.00 0.00 -0.11 0.00 0.00 54.58 55.66 1nu1 n ASN 21 Cb 0.43 2.36 0.00 0.00 1.24 0.00 0.00 39.78 43.81 1nu1 n ASN 21 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1nu1 n GLY 22 N -1.28 0.41 3.71 8.20 0.00 -1.11 -4.35 105.19 110.77 1nu1 n GLY 22 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1nu1 n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1nu1 s LEU 23 N 0.00 4.36 -0.29 0.99 0.20 -1.24 -3.36 118.68 119.33 1nu1 s LEU 23 Ca 0.00 2.07 -0.10 0.00 0.69 0.00 0.00 54.13 56.79 1nu1 s LEU 23 Cb 0.00 -3.58 -0.03 0.00 -0.43 0.00 0.00 46.19 42.15 1nu1 s LEU 23 CO 0.00 -0.54 0.17 -0.13 -0.29 0.00 0.00 176.35 175.56 1nu1 s ARG 24 N 1.27 3.64 -0.32 1.98 0.52 -1.23 0.01 118.95 124.81 1nu1 s ARG 24 Ca 0.60 -0.52 -0.12 0.00 -0.52 0.00 0.00 55.73 55.17 1nu1 s ARG 24 Cb -0.31 -3.59 -0.02 0.00 0.52 0.00 0.00 34.95 31.55 1nu1 s ARG 24 CO 0.29 -0.29 0.21 0.54 0.02 0.00 0.00 175.30 176.06 1nu1 s VAL 25 N 1.68 5.14 0.21 3.52 0.11 0.24 -0.65 120.40 130.65 1nu1 s VAL 25 Ca 0.06 -0.20 0.10 0.00 -2.93 0.00 0.00 61.98 59.01 1nu1 s VAL 25 Cb -0.16 -3.60 -0.05 0.00 -1.53 0.00 0.00 36.38 31.04 1nu1 s VAL 25 CO 0.08 0.05 -0.19 0.00 -3.33 0.00 0.00 175.10 171.71 1nu1 s ALA 26 N 1.70 2.31 0.14 1.54 0.00 0.45 -1.86 121.76 126.05 1nu1 s ALA 26 Ca 0.06 -1.67 -0.13 0.00 0.00 0.00 0.00 51.96 50.22 1nu1 s ALA 26 Cb -0.17 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1nu1 s ALA 26 CO 0.10 0.24 0.36 -1.54 0.00 0.00 0.00 175.76 174.91 1nu1 s SER 27 N -3.08 -0.10 -0.40 0.00 1.04 -0.53 -1.30 113.70 109.34 1nu1 s SER 27 Ca 0.22 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 56.13 1nu1 s SER 27 Cb -0.05 0.46 0.16 0.00 0.10 0.00 0.00 66.02 66.70 1nu1 s SER 27 CO 0.10 -0.89 0.37 -0.70 0.98 0.00 0.00 173.24 173.11 1nu1 s GLU 28 N -3.87 0.79 0.38 4.02 2.12 -1.16 -0.88 118.70 120.11 1nu1 s GLU 28 Ca 0.08 -1.51 -0.28 0.00 0.36 0.00 0.00 54.97 53.63 1nu1 s GLU 28 Cb 0.02 -1.04 -0.11 0.00 0.26 0.00 0.00 34.13 33.27 1nu1 s GLU 28 CO -0.07 -1.30 1.50 -1.14 -0.54 0.00 0.00 175.26 173.71 1nu1 s GLN 29 N 0.71 4.07 0.00 4.30 0.74 -1.26 -3.40 119.66 124.82 1nu1 s GLN 29 Ca 0.26 2.59 0.00 0.00 0.05 0.00 0.00 55.36 58.26 1nu1 s GLN 29 Cb -0.07 -2.95 0.00 0.00 1.10 0.00 0.00 33.01 31.09 1nu1 s GLN 29 CO -0.09 -0.57 0.00 -1.13 -0.55 0.00 0.00 175.29 172.95 1nu1 n SER 30 N 0.41 0.18 0.00 6.67 3.41 0.64 -4.85 113.62 120.07 1nu1 n SER 30 Ca 0.01 -0.08 0.11 0.00 -0.26 0.00 0.00 58.87 58.65 1nu1 n SER 30 Cb 0.39 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1nu1 n SER 30 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1nu1 n SER 31 N -0.21 0.75 -4.61 4.04 2.88 -1.26 -4.04 113.62 111.16 1nu1 n SER 31 Ca 0.00 -0.60 -0.35 0.00 -1.33 0.00 0.00 58.87 56.59 1nu1 n SER 31 Cb 0.00 0.78 0.10 0.00 -0.75 0.00 0.00 64.21 64.34 1nu1 n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1nu1 n GLN 32 N -1.61 0.28 -0.61 -1.46 6.02 -1.26 -4.79 117.38 113.95 1nu1 n GLN 32 Ca 0.04 0.16 0.06 0.00 -0.01 0.00 0.00 57.00 57.25 1nu1 n GLN 32 Cb 0.36 -2.22 0.30 0.00 1.02 0.00 0.00 30.24 29.70 1nu1 n GLN 32 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1nu1 n PRO 33 N -2.24 3.67 -3.63 -1.09 -0.02 -1.26 -3.01 135.00 127.42 1nu1 n PRO 33 Ca 0.12 -2.33 -0.11 0.00 -2.02 0.00 0.00 63.50 59.16 1nu1 n PRO 33 Cb 0.50 -1.97 -0.05 0.00 -0.02 0.00 0.00 33.50 31.96 1nu1 n PRO 33 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1nu1 s THR 34 N -2.14 0.06 0.38 3.45 2.01 -1.26 -0.96 115.64 117.18 1nu1 s THR 34 Ca 0.41 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.74 1nu1 s THR 34 Cb 0.29 -1.11 0.06 0.00 0.01 0.00 0.00 72.50 71.75 1nu1 s THR 34 CO 0.14 -0.29 0.77 0.00 -0.69 0.00 0.00 174.62 174.55 1nu1 s THR 36 N -2.13 -0.06 0.14 0.00 2.01 -0.67 -1.62 115.64 113.31 1nu1 s THR 36 Ca 0.15 0.33 0.11 0.00 0.31 0.00 0.00 61.69 62.59 1nu1 s THR 36 Cb -0.05 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.18 1nu1 s THR 36 CO 0.11 0.13 -0.26 -0.69 -0.69 0.00 0.00 174.62 173.22 1nu1 s VAL 37 N 2.15 2.24 -0.03 3.82 1.01 -0.92 -2.33 120.40 126.34 1nu1 s VAL 37 Ca 0.05 -1.79 -0.30 0.00 0.00 0.00 0.00 61.98 59.93 1nu1 s VAL 37 Cb -0.13 -2.00 0.12 0.00 0.00 0.00 0.00 36.38 34.38 1nu1 s VAL 37 CO -0.04 0.05 1.31 -0.83 0.00 0.00 0.00 175.10 175.59 1nu1 s GLY 38 N -2.15 -0.35 -0.18 4.51 0.00 -0.67 0.53 107.32 109.01 1nu1 s GLY 38 Ca 0.15 0.56 -0.04 0.00 0.00 0.00 0.00 44.72 45.39 1nu1 s GLY 38 CO 0.06 1.53 -0.03 0.14 0.00 0.00 0.00 173.10 174.81 1nu1 s VAL 39 N -2.26 3.79 -0.20 1.40 1.01 -0.30 -1.49 120.40 122.35 1nu1 s VAL 39 Ca 0.18 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 1nu1 s VAL 39 Cb 0.04 -2.69 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 1nu1 s VAL 39 CO -0.04 0.45 0.05 0.26 0.00 0.00 0.00 175.10 175.83 1nu1 s TRP 40 N 0.82 3.15 0.07 5.22 0.51 -0.38 -2.63 118.94 125.70 1nu1 s TRP 40 Ca -0.01 -0.16 0.06 0.00 -2.12 0.00 0.00 56.10 53.88 1nu1 s TRP 40 Cb -0.14 -2.12 -0.04 0.00 -0.81 0.00 0.00 33.47 30.36 1nu1 s TRP 40 CO 0.02 -0.06 -0.11 0.42 -0.51 0.00 0.00 176.95 176.71 1nu1 s ILE 41 N 0.81 3.28 -0.35 2.03 1.01 -0.21 0.27 121.20 128.04 1nu1 s ILE 41 Ca 0.03 -1.14 -0.02 0.00 0.00 0.00 0.00 60.65 59.52 1nu1 s ILE 41 Cb -0.14 -2.48 0.14 0.00 0.01 0.00 0.00 42.46 39.99 1nu1 s ILE 41 CO 0.02 0.23 2.35 -0.67 0.00 0.00 0.00 174.94 176.88 1nu1 n ASP 42 N 1.10 6.42 -4.59 3.58 4.64 0.13 -2.59 116.55 125.24 1nu1 n ASP 42 Ca -0.15 -3.09 -0.34 0.00 -1.38 0.00 0.00 54.79 49.84 1nu1 n ASP 42 Cb 0.52 -1.14 -0.11 0.00 -1.04 0.00 0.00 41.12 39.36 1nu1 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1nu1 s ALA 43 N -1.65 3.01 0.00 -1.67 0.00 -1.26 -4.94 121.76 115.25 1nu1 s ALA 43 Ca 0.42 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1nu1 s ALA 43 Cb 0.29 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 22.17 1nu1 s ALA 43 CO -0.08 0.58 0.00 0.41 0.00 0.00 0.00 175.76 176.67 1nu1 n GLY 44 N 2.16 3.93 0.00 0.00 0.00 -1.26 -1.82 105.19 108.20 1nu1 n GLY 44 Ca -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1nu1 n GLY 44 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nu1 n SER 45 N 0.00 0.05 0.27 1.61 3.41 0.19 -4.57 113.62 114.58 1nu1 n SER 45 Ca 0.00 -0.01 0.16 0.00 -0.26 0.00 0.00 58.87 58.77 1nu1 n SER 45 Cb 0.00 0.02 0.70 0.00 -0.26 0.00 0.00 64.21 64.67 1nu1 n SER 45 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1nu1 h ARG 46 N 0.00 0.00 0.00 4.33 2.43 -1.44 -2.09 114.38 117.61 1nu1 h ARG 46 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1nu1 h ARG 46 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1nu1 h ARG 46 CO 0.00 0.05 -0.09 0.66 -1.51 0.00 0.00 179.97 179.08 1nu1 n TYR 47 N -3.19 0.51 -3.44 2.20 4.01 -1.26 -4.71 117.16 111.29 1nu1 n TYR 47 Ca 0.00 0.15 -0.22 0.00 -0.16 0.00 0.00 57.90 57.67 1nu1 n TYR 47 Cb 0.30 -0.72 -0.01 0.00 -0.31 0.00 0.00 39.34 38.61 1nu1 n TYR 47 CO 0.00 0.00 0.00 -1.83 -0.46 0.00 0.00 176.86 174.57 1nu1 s GLU 48 N -3.07 3.33 -0.11 -0.72 -1.05 -0.79 -5.02 118.70 111.28 1nu1 s GLU 48 Ca 0.11 -0.56 -0.05 0.00 -0.15 0.00 0.00 54.97 54.33 1nu1 s GLU 48 Cb 0.15 -2.71 -0.04 0.00 -0.44 0.00 0.00 34.13 31.09 1nu1 s GLU 48 CO 0.59 0.11 0.07 -1.54 0.95 0.00 0.00 175.26 175.43 1nu1 s SER 49 N -4.08 5.75 0.00 0.83 1.04 -1.26 -4.88 113.70 111.10 1nu1 s SER 49 Ca 0.41 0.27 0.00 0.00 0.48 0.00 0.00 55.95 57.11 1nu1 s SER 49 Cb -0.10 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.25 1nu1 s SER 49 CO 0.34 0.37 0.00 1.21 0.98 0.00 0.00 173.24 176.14 1nu1 n GLU 50 N 2.24 0.00 0.01 4.02 2.13 -1.26 0.89 120.64 128.68 1nu1 n GLU 50 Ca -0.19 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.48 1nu1 n GLU 50 Cb 0.54 0.00 -0.14 0.00 0.27 0.00 0.00 31.44 32.11 1nu1 n GLU 50 CO 0.00 0.00 0.00 1.57 -0.41 0.00 0.00 177.13 178.29 1nu1 h LYS 51 N 0.00 0.16 -0.87 5.31 2.10 -2.04 -3.34 116.57 117.89 1nu1 h LYS 51 Ca 0.00 -0.27 0.18 0.00 -2.00 0.00 0.00 60.65 58.56 1nu1 h LYS 51 Cb 0.00 0.10 -0.11 0.00 -0.90 0.00 0.00 32.23 31.32 1nu1 h LYS 51 CO 0.00 0.92 0.41 -0.91 -2.00 0.00 0.00 179.45 177.86 1nu1 h ASN 52 N 0.04 0.41 -0.40 7.07 -0.26 0.13 -3.47 115.58 119.10 1nu1 h ASN 52 Ca -0.31 0.12 -0.32 0.00 -0.56 0.00 0.00 56.30 55.23 1nu1 h ASN 52 Cb 2.01 0.08 0.02 0.00 -1.06 0.00 0.00 38.32 39.37 1nu1 h ASN 52 CO 0.11 0.10 0.07 -3.20 -1.06 0.00 0.00 177.43 173.45 1nu1 n ASN 53 N -4.97 0.08 0.00 5.81 4.05 -1.03 -2.54 115.26 116.66 1nu1 n ASN 53 Ca 0.19 0.47 0.00 0.00 0.45 0.00 0.00 54.58 55.69 1nu1 n ASN 53 Cb 0.54 -0.37 0.00 0.00 1.23 0.00 0.00 39.78 41.19 1nu1 n ASN 53 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1nu1 n GLY 54 N 0.78 0.33 0.38 8.20 0.00 -1.26 -4.63 105.19 108.99 1nu1 n GLY 54 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 1nu1 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nu1 h ALA 55 N 0.00 -1.02 -0.30 4.61 0.00 -1.79 0.70 119.26 121.46 1nu1 h ALA 55 Ca 0.00 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1nu1 h ALA 55 Cb 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1nu1 h ALA 55 CO 0.00 -1.06 0.11 0.78 0.00 0.00 0.00 179.25 179.08 1nu1 h GLY 56 N -0.73 0.38 0.54 0.00 0.00 -1.88 0.76 103.07 102.14 1nu1 h GLY 56 Ca -0.04 -0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.31 1nu1 h GLY 56 CO -0.09 0.04 0.39 -1.82 0.00 0.00 0.00 176.54 175.05 1nu1 h TYR 57 N 0.25 0.71 -0.55 5.60 3.20 -1.68 0.76 116.97 125.25 1nu1 h TYR 57 Ca 0.13 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.96 1nu1 h TYR 57 Cb 0.10 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 1nu1 h TYR 57 CO -0.13 0.29 0.04 0.35 -1.64 0.00 0.00 178.16 177.06 1nu1 h PHE 58 N 0.68 0.97 -0.58 -3.82 -0.00 0.14 -2.49 116.94 111.85 1nu1 h PHE 58 Ca 0.35 -0.14 -0.09 0.00 -0.00 0.00 0.00 57.97 58.09 1nu1 h PHE 58 Cb 0.32 -0.27 -0.02 0.00 -0.00 0.00 0.00 35.95 35.98 1nu1 h PHE 58 CO -0.09 0.86 -0.00 0.28 -0.00 0.00 0.00 178.31 179.36 1nu1 h VAL 59 N 0.85 1.26 -0.27 1.41 2.07 0.33 -2.34 116.25 119.57 1nu1 h VAL 59 Ca 0.17 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1nu1 h VAL 59 Cb 0.45 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1nu1 h VAL 59 CO 0.02 0.41 -0.03 -0.08 0.02 0.00 0.00 177.57 177.90 1nu1 h GLU 60 N 0.92 0.42 -0.08 1.57 4.81 0.76 0.36 114.58 123.35 1nu1 h GLU 60 Ca 0.17 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.20 1nu1 h GLU 60 Cb 0.54 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1nu1 h GLU 60 CO 0.03 0.48 -0.43 0.45 -0.73 0.00 0.00 179.01 178.81 1nu1 h HIS 61 N 0.41 0.21 0.00 0.92 3.86 -1.16 -3.04 115.15 116.34 1nu1 h HIS 61 Ca 0.09 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.22 1nu1 h HIS 61 Cb 0.32 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 1nu1 h HIS 61 CO 0.01 0.58 -0.75 -0.07 0.86 0.00 0.00 177.93 178.56 1nu1 h LEU 62 N 0.15 0.00 -1.27 2.43 3.38 -0.50 -3.41 115.31 116.10 1nu1 h LEU 62 Ca 0.01 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.19 1nu1 h LEU 62 Cb 0.82 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.48 1nu1 h LEU 62 CO 0.06 0.09 0.62 0.00 0.09 0.00 0.00 178.44 179.30 1nu1 h ALA 63 N 1.91 1.98 -0.45 1.53 0.00 -0.25 -1.44 119.26 122.54 1nu1 h ALA 63 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1nu1 h ALA 63 Cb 1.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1nu1 h ALA 63 CO 0.01 -0.32 0.00 1.19 0.00 0.00 0.00 179.25 180.12 1nu1 n PHE 64 N -4.64 1.05 -0.23 0.00 0.99 -1.26 -4.57 117.46 108.80 1nu1 n PHE 64 Ca 0.22 -0.66 0.10 0.00 -0.00 0.00 0.00 57.45 57.12 1nu1 n PHE 64 Cb 0.67 -0.20 0.31 0.00 -1.00 0.00 0.00 39.48 39.26 1nu1 n PHE 64 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1nu1 n LYS 65 N 0.48 2.85 0.00 -1.08 4.76 -0.54 -4.69 118.16 119.94 1nu1 n LYS 65 Ca 0.20 -2.49 0.00 0.00 -2.87 0.00 0.00 58.31 53.16 1nu1 n LYS 65 Cb 0.76 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 1nu1 n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nu1 n GLY 66 N 1.43 4.28 3.27 0.72 0.00 -1.26 -4.58 105.19 109.06 1nu1 n GLY 66 Ca 0.23 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 45.10 1nu1 n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1nu1 n THR 67 N -0.36 0.00 -0.09 2.61 -2.24 0.73 -1.18 114.28 113.75 1nu1 n THR 67 Ca 0.00 -1.94 -0.13 0.00 -2.27 0.00 0.00 64.05 59.71 1nu1 n THR 67 Cb 0.00 0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.21 1nu1 n THR 67 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1nu1 h LYS 68 N 0.00 0.74 0.19 -0.78 1.57 -1.29 -3.26 116.57 113.75 1nu1 h LYS 68 Ca -0.32 -0.40 -0.34 0.00 -1.87 0.00 0.00 60.65 57.72 1nu1 h LYS 68 Cb 1.11 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.45 1nu1 h LYS 68 CO 0.50 1.03 -1.61 -0.91 -0.57 0.00 0.00 179.45 177.89 1nu1 h ASN 69 N 0.50 0.63 -3.61 0.86 4.21 -1.96 -3.40 115.58 112.81 1nu1 h ASN 69 Ca 0.04 -0.83 -0.70 0.00 1.21 0.00 0.00 56.30 56.03 1nu1 h ASN 69 Cb 0.91 -0.21 -0.31 0.00 -1.12 0.00 0.00 38.32 37.59 1nu1 h ASN 69 CO 0.08 1.68 -0.59 -0.13 -1.29 0.00 0.00 177.43 177.18 1nu1 s ARG 70 N -2.60 2.41 0.00 0.81 0.52 -1.25 -5.08 118.95 113.77 1nu1 s ARG 70 Ca -0.12 -1.41 0.00 0.00 -0.52 0.00 0.00 55.73 53.68 1nu1 s ARG 70 Cb 0.05 -3.47 0.00 0.00 0.52 0.00 0.00 34.95 32.05 1nu1 s ARG 70 CO 0.88 -0.81 0.00 -2.30 0.02 0.00 0.00 175.30 173.10 1nu1 n PRO 71 N 4.72 2.90 0.00 3.54 -0.02 -1.23 0.26 135.00 145.17 1nu1 n PRO 71 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1nu1 n PRO 71 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1nu1 n PRO 71 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nu1 n GLY 72 N 4.56 0.00 0.00 -1.23 0.00 -1.26 -4.04 105.19 103.22 1nu1 n GLY 72 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1nu1 n GLY 72 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nu1 n ASN 73 N -2.15 0.00 0.12 1.61 6.94 -1.26 -4.23 115.26 116.29 1nu1 n ASN 73 Ca 0.00 -0.13 0.20 0.00 -0.02 0.00 0.00 54.58 54.63 1nu1 n ASN 73 Cb 0.00 0.00 0.74 0.00 -2.36 0.00 0.00 39.78 38.16 1nu1 n ASN 73 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1nu1 h ALA 74 N 0.00 2.01 -0.04 -2.53 0.00 -1.90 -0.80 119.26 116.00 1nu1 h ALA 74 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nu1 h ALA 74 Cb 0.06 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1nu1 h ALA 74 CO 0.00 -0.64 -0.18 1.25 0.00 0.00 0.00 179.25 179.67 1nu1 h LEU 75 N 0.00 -0.54 0.00 0.00 5.85 -1.85 0.46 115.31 119.24 1nu1 h LEU 75 Ca 0.17 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1nu1 h LEU 75 Cb 1.09 0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.35 1nu1 h LEU 75 CO -0.00 -0.24 0.00 -0.62 -0.34 0.00 0.00 178.44 177.24 1nu1 n GLU 76 N -5.31 0.00 -0.13 1.25 1.02 -0.33 -1.15 120.64 115.98 1nu1 n GLU 76 Ca -0.04 0.46 0.03 0.00 -0.02 0.00 0.00 57.16 57.58 1nu1 n GLU 76 Cb 0.23 -1.36 0.06 0.00 -0.02 0.00 0.00 31.44 30.35 1nu1 n GLU 76 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1nu1 n LYS 77 N -1.75 -0.03 0.02 3.49 5.02 -1.03 0.30 118.16 124.19 1nu1 n LYS 77 Ca 0.00 0.56 -0.13 0.00 -2.02 0.00 0.00 58.31 56.73 1nu1 n LYS 77 Cb 0.00 -0.85 -0.09 0.00 -0.02 0.00 0.00 35.03 34.07 1nu1 n LYS 77 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1nu1 h GLU 78 N 0.00 -0.09 0.58 1.97 4.81 0.23 0.62 114.58 122.70 1nu1 h GLU 78 Ca 0.18 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1nu1 h GLU 78 Cb 0.29 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 1nu1 h GLU 78 CO -0.37 0.35 -0.49 0.28 -0.73 0.00 0.00 179.01 178.06 1nu1 h VAL 79 N -0.56 0.00 0.23 0.32 2.07 0.14 -2.72 116.25 115.72 1nu1 h VAL 79 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1nu1 h VAL 79 Cb 0.48 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 1nu1 h VAL 79 CO 0.02 0.00 -0.45 -0.33 0.02 0.00 0.00 177.57 176.83 1nu1 h GLU 80 N -1.04 -0.70 0.00 1.57 5.08 -0.49 -1.63 114.58 117.37 1nu1 h GLU 80 Ca -0.08 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1nu1 h GLU 80 Cb 0.88 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1nu1 h GLU 80 CO -0.00 -0.47 0.39 0.43 -1.00 0.00 0.00 179.01 178.36 1nu1 n SER 81 N -5.05 0.18 -0.67 1.42 7.64 0.22 0.25 113.62 117.61 1nu1 n SER 81 Ca -0.08 0.40 0.07 0.00 1.01 0.00 0.00 58.87 60.27 1nu1 n SER 81 Cb 0.37 -0.32 0.19 0.00 -1.01 0.00 0.00 64.21 63.44 1nu1 n SER 81 CO 0.00 0.00 0.00 1.15 -3.01 0.00 0.00 175.04 173.18 1nu1 n MET 82 N -1.78 2.78 -2.56 1.43 0.00 -0.96 -4.96 117.12 111.08 1nu1 n MET 82 Ca -0.00 -2.44 -0.21 0.00 0.00 0.00 0.00 57.70 55.04 1nu1 n MET 82 Cb 0.40 -1.55 0.00 0.00 0.00 0.00 0.00 33.22 32.07 1nu1 n MET 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1nu1 n GLY 83 N -0.22 -0.49 3.97 3.17 0.00 0.68 -4.81 105.19 107.49 1nu1 n GLY 83 Ca 0.16 0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.99 1nu1 n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nu1 s ALA 84 N -3.07 3.97 -0.16 4.61 0.00 -0.65 -4.79 121.76 121.66 1nu1 s ALA 84 Ca 0.08 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 50.82 1nu1 s ALA 84 Cb -0.03 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1nu1 s ALA 84 CO 0.10 0.01 -0.15 -1.01 0.00 0.00 0.00 175.76 174.70 1nu1 s HIS 85 N -2.19 2.79 -0.18 0.00 0.09 0.26 -4.34 115.29 111.71 1nu1 s HIS 85 Ca 0.41 -1.10 -0.08 0.00 -0.00 0.00 0.00 55.06 54.29 1nu1 s HIS 85 Cb -0.09 -1.91 -0.04 0.00 -0.00 0.00 0.00 32.58 30.53 1nu1 s HIS 85 CO 0.32 -0.51 0.09 -1.17 -0.00 0.00 0.00 174.74 173.47 1nu1 s LEU 86 N 0.91 4.00 0.07 0.89 2.96 -1.26 0.12 118.68 126.38 1nu1 s LEU 86 Ca -0.03 0.16 -0.06 0.00 -0.22 0.00 0.00 54.13 53.98 1nu1 s LEU 86 Cb -0.15 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.51 1nu1 s LEU 86 CO -0.02 0.19 0.13 0.21 -1.32 0.00 0.00 176.35 175.54 1nu1 s ASN 87 N 0.27 0.22 -0.25 3.68 3.84 0.13 -5.00 114.94 117.83 1nu1 s ASN 87 Ca 0.06 -0.74 -0.19 0.00 0.21 0.00 0.00 52.86 52.20 1nu1 s ASN 87 Cb -0.12 0.30 0.07 0.00 -0.55 0.00 0.00 41.25 40.95 1nu1 s ASN 87 CO -0.01 -0.68 0.64 0.00 -2.79 0.00 0.00 177.10 174.26 1nu1 s ALA 88 N -3.81 -1.64 0.14 1.71 0.00 -1.26 0.55 121.76 117.46 1nu1 s ALA 88 Ca 0.05 1.99 0.01 0.00 0.00 0.00 0.00 51.96 54.00 1nu1 s ALA 88 Cb 0.05 -1.16 -0.04 0.00 0.00 0.00 0.00 23.12 21.97 1nu1 s ALA 88 CO -0.10 -0.33 0.01 1.52 0.00 0.00 0.00 175.76 176.86 1nu1 s TYR 89 N 0.83 1.01 -0.14 0.00 1.13 -0.06 -4.99 117.35 115.13 1nu1 s TYR 89 Ca -0.04 -1.09 -0.11 0.00 -1.41 0.00 0.00 57.07 54.42 1nu1 s TYR 89 Cb -0.05 -0.58 0.04 0.00 -1.10 0.00 0.00 41.96 40.27 1nu1 s TYR 89 CO -0.07 -0.32 0.37 -1.54 -2.51 0.00 0.00 175.55 171.48 1nu1 s SER 90 N -3.10 -0.40 0.09 -0.18 1.04 -1.26 -0.41 113.70 109.48 1nu1 s SER 90 Ca 0.22 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.41 1nu1 s SER 90 Cb 0.07 0.73 -0.00 0.00 0.10 0.00 0.00 66.02 66.92 1nu1 s SER 90 CO 0.01 -0.15 0.01 0.35 0.98 0.00 0.00 173.24 174.45 1nu1 n THR 91 N 3.28 0.00 0.28 2.02 -2.24 0.35 -4.97 114.28 113.00 1nu1 n THR 91 Ca -0.16 -0.47 0.12 0.00 -2.27 0.00 0.00 64.05 61.28 1nu1 n THR 91 Cb 0.57 0.12 0.81 0.00 -2.10 0.00 0.00 70.33 69.73 1nu1 n THR 91 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1nu1 h ARG 92 N 0.00 0.00 0.00 -0.78 3.08 -1.93 -3.25 114.38 111.50 1nu1 h ARG 92 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1nu1 h ARG 92 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1nu1 h ARG 92 CO 0.12 0.01 -0.77 -1.91 -1.07 0.00 0.00 179.97 176.35 1nu1 n GLU 93 N -4.08 1.58 -3.98 0.04 2.13 -1.26 0.55 120.64 115.62 1nu1 n GLU 93 Ca -0.03 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.69 1nu1 n GLU 93 Cb 0.09 -0.89 -0.11 0.00 0.27 0.00 0.00 31.44 30.80 1nu1 n GLU 93 CO 0.00 0.00 0.00 -1.01 -0.41 0.00 0.00 177.13 175.71 1nu1 s HIS 94 N -1.77 0.29 0.01 4.31 3.76 -1.16 -4.01 115.29 116.72 1nu1 s HIS 94 Ca 0.00 -0.48 0.04 0.00 -0.15 0.00 0.00 55.06 54.47 1nu1 s HIS 94 Cb 0.00 -0.20 -0.01 0.00 1.11 0.00 0.00 32.58 33.47 1nu1 s HIS 94 CO 0.00 -0.16 -0.13 0.99 -0.85 0.00 0.00 174.74 174.59 1nu1 s THR 95 N -1.33 0.99 -0.12 1.30 2.01 -0.76 0.13 115.64 117.87 1nu1 s THR 95 Ca -0.14 -0.67 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 1nu1 s THR 95 Cb -0.09 -0.85 0.05 0.00 0.01 0.00 0.00 72.50 71.61 1nu1 s THR 95 CO -0.01 0.18 0.30 0.00 -0.69 0.00 0.00 174.62 174.40 1nu1 s ALA 96 N -0.48 -0.72 -0.16 7.40 0.00 0.46 -1.05 121.76 127.21 1nu1 s ALA 96 Ca 0.03 1.11 0.01 0.00 0.00 0.00 0.00 51.96 53.11 1nu1 s ALA 96 Cb -0.06 -0.68 0.01 0.00 0.00 0.00 0.00 23.12 22.39 1nu1 s ALA 96 CO 0.00 -0.20 -0.19 0.71 0.00 0.00 0.00 175.76 176.08 1nu1 s TYR 97 N 1.09 2.74 0.04 0.00 1.51 -1.08 -0.88 117.35 120.78 1nu1 s TYR 97 Ca -0.08 -1.35 0.04 0.00 -1.01 0.00 0.00 57.07 54.67 1nu1 s TYR 97 Cb -0.08 -1.88 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1nu1 s TYR 97 CO -0.08 -0.64 -0.11 1.52 -1.11 0.00 0.00 175.55 175.13 1nu1 s TYR 98 N 1.00 0.93 -0.12 2.71 -0.85 0.19 -1.15 117.35 120.06 1nu1 s TYR 98 Ca -0.02 -0.39 -0.01 0.00 -0.52 0.00 0.00 57.07 56.12 1nu1 s TYR 98 Cb -0.15 -0.55 -0.03 0.00 0.38 0.00 0.00 41.96 41.62 1nu1 s TYR 98 CO -0.05 -0.01 -0.07 0.42 -1.52 0.00 0.00 175.55 174.33 1nu1 s ILE 99 N -1.02 3.66 -0.24 -3.49 1.01 0.19 -0.69 121.20 120.62 1nu1 s ILE 99 Ca -0.03 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.06 1nu1 s ILE 99 Cb -0.08 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.79 1nu1 s ILE 99 CO 0.01 0.54 0.14 -0.75 0.00 0.00 0.00 174.94 174.88 1nu1 s LYS 100 N -0.08 3.97 0.22 2.79 2.20 0.33 -2.17 119.74 127.01 1nu1 s LYS 100 Ca 0.01 -0.32 -0.16 0.00 -0.36 0.00 0.00 55.97 55.13 1nu1 s LYS 100 Cb -0.13 -3.48 0.02 0.00 -1.51 0.00 0.00 37.83 32.72 1nu1 s LYS 100 CO 0.03 0.01 0.53 0.00 -0.36 0.00 0.00 175.35 175.56 1nu1 s ALA 101 N 1.18 -0.76 0.39 3.13 0.00 -0.64 0.91 121.76 125.97 1nu1 s ALA 101 Ca 0.07 -0.43 -0.27 0.00 0.00 0.00 0.00 51.96 51.32 1nu1 s ALA 101 Cb -0.14 0.91 -0.10 0.00 0.00 0.00 0.00 23.12 23.79 1nu1 s ALA 101 CO 0.05 -0.85 1.44 -1.17 0.00 0.00 0.00 175.76 175.23 1nu1 s LEU 102 N -2.92 4.28 0.18 0.00 2.96 -1.26 0.01 118.68 121.94 1nu1 s LEU 102 Ca 0.13 2.95 -0.13 0.00 -0.22 0.00 0.00 54.13 56.86 1nu1 s LEU 102 Cb -0.01 -3.74 0.14 0.00 0.50 0.00 0.00 46.19 43.08 1nu1 s LEU 102 CO 0.02 -0.89 1.79 0.28 -1.32 0.00 0.00 176.35 176.24 1nu1 h SER 103 N 2.89 0.42 -0.34 3.68 0.02 -1.32 -1.67 113.55 117.23 1nu1 h SER 103 Ca -0.50 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 60.57 1nu1 h SER 103 Cb 1.24 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.71 1nu1 h SER 103 CO 0.64 0.29 0.31 0.07 -1.14 0.00 0.00 176.83 176.99 1nu1 h LYS 104 N 0.55 0.00 -0.07 3.45 2.10 -1.88 -1.27 116.57 119.44 1nu1 h LYS 104 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1nu1 h LYS 104 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1nu1 h LYS 104 CO -0.14 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.06 1nu1 n ASP 105 N -4.03 0.43 -0.30 7.07 8.00 -0.63 -4.32 116.55 122.76 1nu1 n ASP 105 Ca 0.05 -1.92 0.12 0.00 0.71 0.00 0.00 54.79 53.76 1nu1 n ASP 105 Cb 0.47 -0.05 0.29 0.00 -0.02 0.00 0.00 41.12 41.82 1nu1 n ASP 105 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1nu1 h LEU 106 N 0.48 0.36 0.00 0.64 5.85 -1.33 -1.35 115.31 119.97 1nu1 h LEU 106 Ca 0.00 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1nu1 h LEU 106 Cb 0.11 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1nu1 h LEU 106 CO 0.00 0.03 0.00 -2.65 -0.34 0.00 0.00 178.44 175.48 1nu1 n PRO 107 N -5.02 0.00 0.27 5.25 -0.02 -1.26 -0.92 135.00 133.30 1nu1 n PRO 107 Ca 0.21 0.60 0.10 0.00 -2.02 0.00 0.00 63.50 62.39 1nu1 n PRO 107 Cb 0.62 -1.39 0.70 0.00 -0.02 0.00 0.00 33.50 33.41 1nu1 n PRO 107 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1nu1 h LYS 108 N 0.00 0.00 0.12 -0.52 1.63 -1.90 0.77 116.57 116.67 1nu1 h LYS 108 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 1nu1 h LYS 108 Cb 0.00 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.59 1nu1 h LYS 108 CO 0.00 0.01 -0.37 0.00 -3.45 0.00 0.00 179.45 175.64 1nu1 h ALA 109 N 1.99 -0.63 0.24 5.00 0.00 -1.04 0.34 119.26 125.15 1nu1 h ALA 109 Ca -0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1nu1 h ALA 109 Cb 0.01 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1nu1 h ALA 109 CO 0.00 -0.92 -0.11 0.28 0.00 0.00 0.00 179.25 178.50 1nu1 h VAL 110 N -0.59 0.78 -0.62 0.00 2.07 0.96 -0.42 116.25 118.43 1nu1 h VAL 110 Ca 0.03 -0.08 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1nu1 h VAL 110 Cb 0.63 0.83 -0.12 0.00 -1.52 0.00 0.00 31.29 31.11 1nu1 h VAL 110 CO -0.22 0.02 -0.35 -0.08 0.02 0.00 0.00 177.57 176.96 1nu1 h GLU 111 N -0.36 -0.15 -0.21 1.57 4.81 -0.83 0.84 114.58 120.26 1nu1 h GLU 111 Ca -0.03 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1nu1 h GLU 111 Cb 0.27 0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 1nu1 h GLU 111 CO 0.05 -0.10 -0.22 -0.07 -0.73 0.00 0.00 179.01 177.94 1nu1 h LEU 112 N -0.16 -0.69 -0.57 1.64 3.38 0.11 -1.11 115.31 117.91 1nu1 h LEU 112 Ca 0.23 0.12 0.11 0.00 0.09 0.00 0.00 57.88 58.43 1nu1 h LEU 112 Cb 0.56 0.33 -0.08 0.00 0.09 0.00 0.00 40.66 41.55 1nu1 h LEU 112 CO -0.70 -0.26 0.11 0.25 0.09 0.00 0.00 178.44 177.93 1nu1 h LEU 113 N -0.24 -0.02 0.25 1.67 5.85 0.78 -0.70 115.31 122.89 1nu1 h LEU 113 Ca 0.13 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1nu1 h LEU 113 Cb 0.43 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1nu1 h LEU 113 CO -0.34 0.00 -0.27 0.00 -0.34 0.00 0.00 178.44 177.49 1nu1 h ALA 114 N 1.46 -0.95 -0.92 1.25 0.00 -0.20 0.11 119.26 120.00 1nu1 h ALA 114 Ca 0.29 -0.10 0.27 0.00 0.00 0.00 0.00 54.91 55.37 1nu1 h ALA 114 Cb 0.43 0.52 -0.15 0.00 0.00 0.00 0.00 17.79 18.59 1nu1 h ALA 114 CO -0.39 -0.97 0.32 0.22 0.00 0.00 0.00 179.25 178.43 1nu1 h ASP 115 N -0.52 0.11 0.34 0.00 3.58 -0.75 0.18 116.42 119.35 1nu1 h ASP 115 Ca -0.03 0.20 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 1nu1 h ASP 115 Cb 0.46 0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.76 1nu1 h ASP 115 CO -0.04 -0.18 -0.16 0.40 -2.88 0.00 0.00 179.24 176.38 1nu1 h ILE 116 N 0.21 0.67 0.00 2.25 2.04 -0.78 0.73 117.51 122.64 1nu1 h ILE 116 Ca 0.61 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 66.06 1nu1 h ILE 116 Cb 1.31 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.27 1nu1 h ILE 116 CO -0.67 0.08 0.00 0.55 0.00 0.00 0.00 178.15 178.11 1nu1 n VAL 117 N -5.19 0.76 0.04 1.67 3.14 0.37 -3.87 118.33 115.25 1nu1 n VAL 117 Ca -0.10 0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.47 1nu1 n VAL 117 Cb 0.26 -0.90 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 1nu1 n VAL 117 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1nu1 n GLN 118 N -1.46 0.00 -2.00 1.45 6.02 0.28 -4.88 117.38 116.79 1nu1 n GLN 118 Ca 0.05 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.67 1nu1 n GLN 118 Cb 0.19 -0.48 0.01 0.00 1.02 0.00 0.00 30.24 30.98 1nu1 n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1nu1 n ASN 119 N -3.33 7.32 -4.58 1.08 5.03 0.24 -4.97 115.26 116.05 1nu1 n ASN 119 Ca 0.00 -3.56 -0.42 0.00 0.87 0.00 0.00 54.58 51.47 1nu1 n ASN 119 Cb 0.15 -1.17 -0.03 0.00 -1.02 0.00 0.00 39.78 37.72 1nu1 n ASN 119 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nu1 s SER 121 N 4.30 5.31 -1.32 0.00 0.01 -0.32 -4.85 113.70 116.81 1nu1 s SER 121 Ca 0.52 -0.73 -0.13 0.00 1.31 0.00 0.00 55.95 56.92 1nu1 s SER 121 Cb -0.11 -2.56 0.11 0.00 0.21 0.00 0.00 66.02 63.68 1nu1 s SER 121 CO 0.25 -2.59 1.88 0.18 0.41 0.00 0.00 173.24 173.37 1nu1 n LEU 122 N 13.33 6.16 -4.77 2.44 4.77 -1.26 -4.65 117.00 133.03 1nu1 n LEU 122 Ca 0.38 -4.34 -0.40 0.00 -0.03 0.00 0.00 56.01 51.62 1nu1 n LEU 122 Cb 0.48 -1.60 -0.02 0.00 -2.33 0.00 0.00 43.42 39.94 1nu1 n LEU 122 CO 0.61 0.97 0.94 -1.61 -1.33 0.00 0.00 177.39 176.97 1nu1 s GLU 123 N 2.09 4.30 0.29 3.23 2.02 -1.26 -4.76 118.70 124.61 1nu1 s GLU 123 Ca 0.45 2.11 0.04 0.00 0.02 0.00 0.00 54.97 57.59 1nu1 s GLU 123 Cb 0.08 -3.00 0.65 0.00 0.10 0.00 0.00 34.13 31.96 1nu1 s GLU 123 CO -0.01 -0.19 1.80 -0.44 0.02 0.00 0.00 175.26 176.44 1nu1 h ASP 124 N 3.25 0.86 -0.18 -0.19 3.45 -1.98 0.13 116.42 121.76 1nu1 h ASP 124 Ca -0.49 0.07 0.05 0.00 0.43 0.00 0.00 57.03 57.10 1nu1 h ASP 124 Cb 1.23 -0.09 -0.06 0.00 -0.56 0.00 0.00 39.33 39.85 1nu1 h ASP 124 CO 0.65 0.38 -0.26 0.77 -1.57 0.00 0.00 179.24 179.21 1nu1 h SER 125 N 0.88 -0.82 0.17 6.45 4.64 -1.99 -0.50 113.55 122.37 1nu1 h SER 125 Ca 0.54 0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 61.99 1nu1 h SER 125 Cb 0.71 0.37 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1nu1 h SER 125 CO -0.33 -0.30 -0.08 1.56 -0.87 0.00 0.00 176.83 176.81 1nu1 h GLN 126 N -0.30 -0.21 -1.67 4.77 1.08 -1.39 -0.75 115.11 116.64 1nu1 h GLN 126 Ca 0.12 0.01 0.52 0.00 -1.45 0.00 0.00 58.65 57.85 1nu1 h GLN 126 Cb 0.48 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 27.85 1nu1 h GLN 126 CO -0.35 -0.14 1.15 0.97 -0.95 0.00 0.00 178.83 179.50 1nu1 h ILE 127 N -0.25 0.03 0.35 2.54 -0.00 -0.83 1.15 117.51 120.50 1nu1 h ILE 127 Ca -0.02 -0.00 -0.02 0.00 -0.00 0.00 0.00 64.86 64.82 1nu1 h ILE 127 Cb 0.17 0.02 0.00 0.00 -0.00 0.00 0.00 36.82 37.01 1nu1 h ILE 127 CO 0.04 0.00 -0.17 -0.08 -0.00 0.00 0.00 178.15 177.94 1nu1 h GLU 128 N 0.01 -0.45 -0.87 2.19 4.57 -0.89 -3.07 114.58 116.07 1nu1 h GLU 128 Ca 0.90 0.03 0.23 0.00 -1.18 0.00 0.00 59.36 59.34 1nu1 h GLU 128 Cb 3.27 0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 31.82 1nu1 h GLU 128 CO -0.23 -0.28 0.28 0.87 -1.18 0.00 0.00 179.01 178.47 1nu1 h LYS 129 N -1.11 0.26 -0.01 1.92 1.57 0.26 -0.83 116.57 118.63 1nu1 h LYS 129 Ca -0.05 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1nu1 h LYS 129 Cb 0.38 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 1nu1 h LYS 129 CO 0.08 0.17 0.01 0.93 -0.57 0.00 0.00 179.45 180.07 1nu1 h GLU 130 N 0.26 0.00 -0.10 3.15 4.39 -0.13 -2.69 114.58 119.47 1nu1 h GLU 130 Ca 0.55 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 60.09 1nu1 h GLU 130 Cb 1.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.72 1nu1 h GLU 130 CO -0.61 0.00 -0.60 0.07 -1.16 0.00 0.00 179.01 176.71 1nu1 h ARG 131 N 0.00 0.33 -0.96 2.33 0.11 -1.04 -2.23 114.38 112.93 1nu1 h ARG 131 Ca 0.00 -0.23 -0.00 0.00 0.10 0.00 0.00 59.98 59.85 1nu1 h ARG 131 Cb 0.02 0.03 -0.05 0.00 1.11 0.00 0.00 29.97 31.09 1nu1 h ARG 131 CO -0.00 0.83 0.59 -0.44 0.10 0.00 0.00 179.97 181.05 1nu1 h ASP 132 N 0.25 1.14 0.60 0.08 3.32 -1.58 0.12 116.42 120.35 1nu1 h ASP 132 Ca -0.00 -0.06 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 1nu1 h ASP 132 Cb 1.12 -0.29 0.01 0.00 0.22 0.00 0.00 39.33 40.38 1nu1 h ASP 132 CO 0.10 0.87 -0.29 0.58 -1.72 0.00 0.00 179.24 178.78 1nu1 h VAL 133 N 1.32 0.17 -0.28 -1.35 2.07 -1.56 -2.65 116.25 113.98 1nu1 h VAL 133 Ca 0.35 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.56 1nu1 h VAL 133 Cb -0.08 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 1nu1 h VAL 133 CO -0.07 0.03 0.21 0.40 0.02 0.00 0.00 177.57 178.16 1nu1 h ILE 134 N -1.12 0.82 -0.33 4.57 2.04 -1.19 0.72 117.51 123.02 1nu1 h ILE 134 Ca -0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1nu1 h ILE 134 Cb 0.66 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1nu1 h ILE 134 CO 0.13 0.00 0.10 -0.07 0.00 0.00 0.00 178.15 178.31 1nu1 h LEU 135 N 0.00 0.49 0.14 1.44 3.38 -0.75 -2.76 115.31 117.25 1nu1 h LEU 135 Ca 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1nu1 h LEU 135 Cb 0.54 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1nu1 h LEU 135 CO -0.00 0.57 -0.07 1.56 0.09 0.00 0.00 178.44 180.59 1nu1 h GLN 136 N 0.38 -0.18 -0.94 1.13 1.08 0.72 -2.47 115.11 114.83 1nu1 h GLN 136 Ca 0.11 0.01 0.21 0.00 -1.45 0.00 0.00 58.65 57.53 1nu1 h GLN 136 Cb 0.26 0.04 -0.18 0.00 -0.05 0.00 0.00 27.48 27.56 1nu1 h GLN 136 CO -0.00 -0.09 -0.13 0.93 -0.95 0.00 0.00 178.83 178.58 1nu1 h GLU 137 N -0.23 0.01 0.00 1.46 5.08 -0.92 0.66 114.58 120.64 1nu1 h GLU 137 Ca -0.02 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1nu1 h GLU 137 Cb 0.18 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1nu1 h GLU 137 CO 0.03 0.01 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.90 1nu1 h LEU 138 N 0.01 0.00 -0.20 1.33 3.38 -1.15 0.45 115.31 119.13 1nu1 h LEU 138 Ca 0.49 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.24 1nu1 h LEU 138 Cb 0.85 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.61 1nu1 h LEU 138 CO -0.93 0.08 -0.88 -0.61 0.09 0.00 0.00 178.44 176.19 1nu1 h GLN 139 N 0.00 0.52 0.01 1.13 4.15 0.53 -2.57 115.11 118.89 1nu1 h GLN 139 Ca -0.00 -0.50 -0.12 0.00 0.77 0.00 0.00 58.65 58.80 1nu1 h GLN 139 Cb 0.14 0.13 0.01 0.00 0.21 0.00 0.00 27.48 27.97 1nu1 h GLN 139 CO 0.01 1.13 -0.47 0.93 -1.93 0.00 0.00 178.83 178.51 1nu1 h GLU 140 N 0.32 0.30 -1.00 1.69 5.08 -0.53 -3.25 114.58 117.19 1nu1 h GLU 140 Ca -0.07 -0.34 0.21 0.00 -1.00 0.00 0.00 59.36 58.16 1nu1 h GLU 140 Cb 1.50 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 30.75 1nu1 h GLU 140 CO 0.16 1.04 0.62 -0.91 -1.00 0.00 0.00 179.01 178.92 1nu1 h ASN 141 N -0.30 0.70 0.00 1.42 -0.26 -0.15 -0.00 115.58 116.99 1nu1 h ASN 141 Ca -0.06 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.77 1nu1 h ASN 141 Cb 1.22 -0.02 0.00 0.00 -1.06 0.00 0.00 38.32 38.45 1nu1 h ASN 141 CO 0.09 0.22 0.03 0.44 -1.06 0.00 0.00 177.43 177.15 1nu1 h ASP 142 N 0.66 0.00 1.20 5.81 3.45 -1.49 -0.44 116.42 125.62 1nu1 h ASP 142 Ca 0.58 0.00 -0.05 0.00 0.43 0.00 0.00 57.03 58.00 1nu1 h ASP 142 Cb 1.04 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.81 1nu1 h ASP 142 CO -0.37 0.00 -0.82 0.74 -1.57 0.00 0.00 179.24 177.22 1nu1 h THR 143 N 0.00 0.19 -1.56 0.35 2.02 -1.13 -3.43 112.91 109.35 1nu1 h THR 143 Ca 0.00 -1.33 -0.56 0.00 0.77 0.00 0.00 66.41 65.29 1nu1 h THR 143 Cb 0.06 1.81 -0.09 0.00 -1.74 0.00 0.00 68.15 68.20 1nu1 h THR 143 CO 0.00 0.11 1.29 -0.55 0.37 0.00 0.00 175.52 176.74 1nu1 s SER 144 N -5.74 6.25 0.33 4.18 0.15 -0.17 -4.82 113.70 113.87 1nu1 s SER 144 Ca 0.01 -0.98 0.13 0.00 0.70 0.00 0.00 55.95 55.81 1nu1 s SER 144 Cb 0.08 -2.56 1.03 0.00 -1.71 0.00 0.00 66.02 62.85 1nu1 s SER 144 CO 0.76 -1.74 1.67 0.24 1.20 0.00 0.00 173.24 175.38 1nu1 h MET 145 N 10.17 0.34 0.23 5.44 0.00 -1.84 0.28 114.93 129.56 1nu1 h MET 145 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 59.70 59.68 1nu1 h MET 145 Cb 1.03 -0.08 0.00 0.00 0.00 0.00 0.00 31.60 32.55 1nu1 h MET 145 CO 1.36 0.23 -0.11 -0.09 0.00 0.00 0.00 176.91 178.29 1nu1 h ARG 146 N 0.36 -0.30 -0.49 1.72 2.43 -1.95 0.36 114.38 116.51 1nu1 h ARG 146 Ca 0.71 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.96 1nu1 h ARG 146 Cb 1.56 0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 31.12 1nu1 h ARG 146 CO -0.59 -0.16 0.17 -0.44 -1.51 0.00 0.00 179.97 177.44 1nu1 h ASP 147 N -0.36 0.17 0.52 -3.80 5.19 -0.84 -1.85 116.42 115.45 1nu1 h ASP 147 Ca -0.03 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 1nu1 h ASP 147 Cb 0.27 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 1nu1 h ASP 147 CO 0.05 0.13 -0.44 0.58 -3.12 0.00 0.00 179.24 176.44 1nu1 h VAL 148 N 0.35 0.00 -0.79 -1.35 2.07 -0.78 -2.77 116.25 112.98 1nu1 h VAL 148 Ca 0.24 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.97 1nu1 h VAL 148 Cb 0.25 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1nu1 h VAL 148 CO -0.24 0.00 0.56 0.58 0.02 0.00 0.00 177.57 178.48 1nu1 h VAL 149 N -0.93 0.63 0.02 2.57 2.07 -0.18 0.39 116.25 120.82 1nu1 h VAL 149 Ca -0.07 -0.03 -0.21 0.00 0.82 0.00 0.00 66.70 67.22 1nu1 h VAL 149 Cb 0.79 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1nu1 h VAL 149 CO -0.01 0.01 -0.96 -0.26 0.02 0.00 0.00 177.57 176.38 1nu1 h PHE 150 N 0.08 0.12 -0.41 1.57 -1.00 -1.32 -2.16 116.94 113.83 1nu1 h PHE 150 Ca 0.38 -0.08 -0.11 0.00 2.81 0.00 0.00 57.97 60.97 1nu1 h PHE 150 Cb 1.39 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.93 1nu1 h PHE 150 CO -0.00 0.98 -0.20 -0.91 -1.61 0.00 0.00 178.31 176.57 1nu1 h ASN 151 N 0.03 0.81 -0.37 2.17 2.35 0.04 -1.66 115.58 118.95 1nu1 h ASN 151 Ca -0.03 -0.28 -0.11 0.00 -0.55 0.00 0.00 56.30 55.32 1nu1 h ASN 151 Cb 1.66 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 39.79 1nu1 h ASN 151 CO 0.13 0.99 -0.18 1.88 -1.65 0.00 0.00 177.43 178.61 1nu1 h TYR 152 N 0.70 0.96 -0.12 1.19 0.99 -1.29 1.86 116.97 121.26 1nu1 h TYR 152 Ca 0.10 -0.21 -0.01 0.00 2.00 0.00 0.00 58.73 60.61 1nu1 h TYR 152 Cb 0.71 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 38.21 1nu1 h TYR 152 CO 0.04 0.96 0.03 1.25 -0.00 0.00 0.00 178.16 180.44 1nu1 h LEU 153 N 0.75 0.19 0.16 3.88 5.85 -1.26 0.24 115.31 125.11 1nu1 h LEU 153 Ca 0.11 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1nu1 h LEU 153 Cb 0.70 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1nu1 h LEU 153 CO 0.05 0.37 -0.15 0.45 -0.34 0.00 0.00 178.44 178.82 1nu1 h HIS 154 N -0.00 -0.39 -0.90 1.25 3.86 -0.91 0.94 115.15 119.00 1nu1 h HIS 154 Ca 0.04 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.47 1nu1 h HIS 154 Cb 0.26 0.15 -0.12 0.00 1.06 0.00 0.00 27.41 28.75 1nu1 h HIS 154 CO 0.01 -0.23 0.42 0.00 0.86 0.00 0.00 177.93 178.99 1nu1 h ALA 155 N 0.47 1.46 0.00 2.45 0.00 0.34 -1.28 119.26 122.70 1nu1 h ALA 155 Ca -0.00 0.15 -0.32 0.00 0.00 0.00 0.00 54.91 54.74 1nu1 h ALA 155 Cb 0.31 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 1nu1 h ALA 155 CO -0.03 -0.31 -2.00 -2.37 0.00 0.00 0.00 179.25 174.53 1nu1 n THR 156 N -5.01 1.47 -0.31 0.00 5.66 0.78 -3.30 114.28 113.57 1nu1 n THR 156 Ca 0.22 -0.82 -0.04 0.00 -3.05 0.00 0.00 64.05 60.36 1nu1 n THR 156 Cb 0.65 -0.75 0.09 0.00 -1.55 0.00 0.00 70.33 68.76 1nu1 n THR 156 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1nu1 h ALA 157 N 1.04 1.13 -0.64 1.79 0.00 0.12 -2.73 119.26 119.97 1nu1 h ALA 157 Ca -0.39 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.10 1nu1 h ALA 157 Cb 2.08 -0.34 -0.15 0.00 0.00 0.00 0.00 17.79 19.38 1nu1 h ALA 157 CO 0.05 0.67 0.24 1.19 0.00 0.00 0.00 179.25 181.40 1nu1 n PHE 158 N -4.31 2.04 -0.98 0.00 3.72 -0.51 0.25 117.46 117.68 1nu1 n PHE 158 Ca 0.09 -1.44 -0.36 0.00 -0.05 0.00 0.00 57.45 55.69 1nu1 n PHE 158 Cb 0.13 -0.65 -0.10 0.00 -0.94 0.00 0.00 39.48 37.92 1nu1 n PHE 158 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nu1 n GLN 159 N -0.73 0.00 0.00 -1.08 6.02 -1.03 -0.24 117.38 120.32 1nu1 n GLN 159 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.40 1nu1 n GLN 159 Cb 1.30 -1.07 0.00 0.00 1.02 0.00 0.00 30.24 31.50 1nu1 n GLN 159 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nu1 n GLY 160 N 4.98 2.33 3.81 1.08 0.00 -1.26 -4.90 105.19 111.23 1nu1 n GLY 160 Ca 0.43 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 1nu1 n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nu1 s THR 161 N -2.11 1.98 0.23 2.61 -4.23 0.66 -4.95 115.64 109.83 1nu1 s THR 161 Ca 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.54 1nu1 s THR 161 Cb 0.00 -2.79 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 1nu1 s THR 161 CO 0.00 0.00 1.54 -0.65 -0.54 0.00 0.00 174.62 174.97 1nu1 h PRO 162 N -1.50 0.27 -0.20 3.99 0.11 -1.86 -2.86 132.00 129.95 1nu1 h PRO 162 Ca -0.49 -0.19 0.06 0.00 0.11 0.00 0.00 66.00 65.49 1nu1 h PRO 162 Cb 1.32 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1nu1 h PRO 162 CO 0.59 0.80 0.29 1.25 -0.21 0.00 0.00 178.00 180.72 1nu1 h LEU 163 N 0.20 0.00 -2.10 2.35 5.85 -1.86 0.20 115.31 119.95 1nu1 h LEU 163 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1nu1 h LEU 163 Cb 1.13 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 1nu1 h LEU 163 CO 0.10 0.00 -0.05 0.00 -0.34 0.00 0.00 178.44 178.15 1nu1 h ALA 164 N 1.61 1.11 -2.33 1.25 0.00 -1.63 -3.44 119.26 115.82 1nu1 h ALA 164 Ca 0.09 -0.04 -0.51 0.00 0.00 0.00 0.00 54.91 54.45 1nu1 h ALA 164 Cb 0.67 -0.01 0.07 0.00 0.00 0.00 0.00 17.79 18.52 1nu1 h ALA 164 CO -0.00 0.06 0.39 -0.65 0.00 0.00 0.00 179.25 179.05 1nu1 s GLN 165 N -4.01 3.29 0.53 0.00 -0.21 0.70 -3.65 119.66 116.30 1nu1 s GLN 165 Ca -0.02 0.90 0.00 0.00 0.02 0.00 0.00 55.36 56.26 1nu1 s GLN 165 Cb 0.12 -2.04 0.02 0.00 1.00 0.00 0.00 33.01 32.11 1nu1 s GLN 165 CO 0.52 -0.82 0.76 -1.54 -2.12 0.00 0.00 175.29 172.09 1nu1 s SER 166 N -3.78 5.46 0.17 5.90 1.04 -1.26 -4.93 113.70 116.30 1nu1 s SER 166 Ca 0.58 0.15 0.00 0.00 0.48 0.00 0.00 55.95 57.16 1nu1 s SER 166 Cb -0.13 -1.16 0.03 0.00 0.10 0.00 0.00 66.02 64.86 1nu1 s SER 166 CO 0.51 -1.01 1.41 0.58 0.98 0.00 0.00 173.24 175.71 1nu1 h VAL 167 N 0.14 1.42 0.00 5.02 2.07 -1.96 -3.26 116.25 119.69 1nu1 h VAL 167 Ca -0.44 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 64.74 1nu1 h VAL 167 Cb 1.28 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 33.33 1nu1 h VAL 167 CO 0.55 0.69 -0.79 -0.62 0.02 0.00 0.00 177.57 177.42 1nu1 n GLU 168 N -3.76 0.21 -0.12 1.57 4.71 -1.26 -4.20 120.64 117.79 1nu1 n GLU 168 Ca -0.04 0.02 0.02 0.00 -0.01 0.00 0.00 57.16 57.15 1nu1 n GLU 168 Cb 0.75 -1.59 -0.00 0.00 -1.01 0.00 0.00 31.44 29.59 1nu1 n GLU 168 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1nu1 n GLY 169 N 1.40 -2.13 3.88 0.62 0.00 -1.23 -4.20 105.19 103.53 1nu1 n GLY 169 Ca 0.03 -1.45 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 1nu1 n GLY 169 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1nu1 s PRO 170 N -0.74 3.75 0.33 1.61 0.05 -1.26 -4.94 135.00 133.80 1nu1 s PRO 170 Ca 0.00 0.26 0.09 0.00 0.05 0.00 0.00 61.00 61.40 1nu1 s PRO 170 Cb 0.00 -2.56 0.97 0.00 0.05 0.00 0.00 34.50 32.96 1nu1 s PRO 170 CO 0.00 0.17 1.58 0.66 0.05 0.00 0.00 177.00 179.46 1nu1 h SER 171 N 1.86 -0.18 -0.67 6.66 4.64 -1.99 -1.63 113.55 122.24 1nu1 h SER 171 Ca -0.47 0.27 0.13 0.00 -0.47 0.00 0.00 61.79 61.25 1nu1 h SER 171 Cb 1.18 0.40 -0.13 0.00 -0.31 0.00 0.00 62.40 63.55 1nu1 h SER 171 CO 0.66 -0.38 -0.21 -0.33 -0.87 0.00 0.00 176.83 175.70 1nu1 h GLU 172 N 0.01 -0.04 -0.39 4.77 3.07 -1.98 0.46 114.58 120.49 1nu1 h GLU 172 Ca 0.69 0.00 -0.15 0.00 -0.50 0.00 0.00 59.36 59.41 1nu1 h GLU 172 Cb 1.60 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.51 1nu1 h GLU 172 CO -0.86 -0.03 -0.34 -0.91 -1.40 0.00 0.00 179.01 175.47 1nu1 h ASN 173 N -0.04 0.94 0.14 1.42 -0.26 -1.59 0.25 115.58 116.44 1nu1 h ASN 173 Ca 0.31 -0.40 -0.04 0.00 -0.56 0.00 0.00 56.30 55.61 1nu1 h ASN 173 Cb 0.52 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 1nu1 h ASN 173 CO -0.70 1.18 -0.16 0.58 -1.06 0.00 0.00 177.43 177.27 1nu1 h VAL 174 N 0.74 1.13 0.01 2.81 2.07 -0.91 1.34 116.25 123.43 1nu1 h VAL 174 Ca 0.07 -0.61 -0.26 0.00 0.82 0.00 0.00 66.70 66.73 1nu1 h VAL 174 Cb 0.91 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.93 1nu1 h VAL 174 CO 0.08 0.18 -1.39 0.08 0.02 0.00 0.00 177.57 176.54 1nu1 h ARG 175 N 0.04 0.01 0.00 1.57 0.11 0.43 -3.39 114.38 113.15 1nu1 h ARG 175 Ca 0.01 -0.03 -0.32 0.00 0.10 0.00 0.00 59.98 59.75 1nu1 h ARG 175 Cb 0.31 0.01 -0.06 0.00 1.11 0.00 0.00 29.97 31.34 1nu1 h ARG 175 CO 0.02 0.75 -1.97 0.36 0.10 0.00 0.00 179.97 179.24 1nu1 n LYS 176 N -3.20 0.65 -1.52 0.08 2.85 0.82 -4.97 118.16 112.86 1nu1 n LYS 176 Ca -0.09 0.17 -0.54 0.00 -1.05 0.00 0.00 58.31 56.80 1nu1 n LYS 176 Cb 1.00 -1.68 -0.06 0.00 -0.65 0.00 0.00 35.03 33.64 1nu1 n LYS 176 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1nu1 n LEU 177 N -2.92 0.48 -4.63 -5.58 4.77 0.45 -4.99 117.00 104.59 1nu1 n LEU 177 Ca -0.23 1.14 -0.25 0.00 -0.03 0.00 0.00 56.01 56.65 1nu1 n LEU 177 Cb 1.08 -1.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.04 1nu1 n LEU 177 CO 0.44 -1.77 -0.30 -0.94 -1.33 0.00 0.00 177.39 173.49 1nu1 s SER 178 N -0.07 4.11 0.28 -1.43 1.04 -1.26 -5.00 113.70 111.38 1nu1 s SER 178 Ca 0.81 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 56.20 1nu1 s SER 178 Cb -1.06 -0.49 0.59 0.00 0.10 0.00 0.00 66.02 65.16 1nu1 s SER 178 CO 0.54 -0.27 1.78 -0.09 0.98 0.00 0.00 173.24 176.18 1nu1 h ARG 179 N 1.81 0.73 -0.62 4.02 2.43 -1.96 0.13 114.38 120.93 1nu1 h ARG 179 Ca -0.43 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 58.76 1nu1 h ARG 179 Cb 1.25 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.58 1nu1 h ARG 179 CO 0.69 0.48 0.31 0.00 -1.51 0.00 0.00 179.97 179.94 1nu1 h ALA 180 N 1.57 0.81 -0.50 2.80 0.00 -1.98 0.25 119.26 122.21 1nu1 h ALA 180 Ca 0.50 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.50 1nu1 h ALA 180 Cb 0.67 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1nu1 h ALA 180 CO -0.34 -0.05 0.21 -0.44 0.00 0.00 0.00 179.25 178.63 1nu1 h ASP 181 N 0.57 0.26 0.00 0.00 3.32 -1.19 -1.22 116.42 118.16 1nu1 h ASP 181 Ca 0.29 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1nu1 h ASP 181 Cb 0.23 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1nu1 h ASP 181 CO -0.21 0.18 0.00 0.18 -1.72 0.00 0.00 179.24 177.67 1nu1 n LEU 182 N -4.95 0.17 -0.10 1.55 4.77 0.04 -2.10 117.00 116.37 1nu1 n LEU 182 Ca 0.05 0.76 -0.00 0.00 -0.03 0.00 0.00 56.01 56.79 1nu1 n LEU 182 Cb 0.17 -0.37 0.01 0.00 -2.33 0.00 0.00 43.42 40.90 1nu1 n LEU 182 CO 0.26 -0.37 0.15 0.41 -1.33 0.00 0.00 177.39 176.52 1nu1 n THR 183 N -1.61 -0.14 -0.06 -5.08 -1.04 0.65 0.88 114.28 107.88 1nu1 n THR 183 Ca 0.00 0.62 -0.07 0.00 -2.04 0.00 0.00 64.05 62.56 1nu1 n THR 183 Cb 0.00 -0.82 -0.01 0.00 -1.82 0.00 0.00 70.33 67.68 1nu1 n THR 183 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1nu1 h GLU 184 N 0.00 -0.02 -0.53 -2.82 4.81 -1.19 -1.06 114.58 113.78 1nu1 h GLU 184 Ca 0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1nu1 h GLU 184 Cb 0.15 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1nu1 h GLU 184 CO -0.26 -0.01 0.29 -0.92 -0.73 0.00 0.00 179.01 177.38 1nu1 h TYR 185 N -0.02 0.72 0.39 0.92 5.03 0.11 0.17 116.97 124.29 1nu1 h TYR 185 Ca 0.13 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 1nu1 h TYR 185 Cb 0.21 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 1nu1 h TYR 185 CO -0.27 0.53 -0.39 -0.07 -1.32 0.00 0.00 178.16 176.65 1nu1 h LEU 186 N 0.71 -1.05 -0.81 2.82 3.38 -1.08 0.44 115.31 119.72 1nu1 h LEU 186 Ca 0.19 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.27 1nu1 h LEU 186 Cb 0.05 0.35 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1nu1 h LEU 186 CO -0.03 -0.54 0.52 0.28 0.09 0.00 0.00 178.44 178.76 1nu1 h SER 187 N -0.80 0.86 -0.58 -0.43 0.02 -0.97 0.95 113.55 112.60 1nu1 h SER 187 Ca -0.03 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1nu1 h SER 187 Cb 0.71 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.03 1nu1 h SER 187 CO -0.06 0.60 0.24 0.03 -1.14 0.00 0.00 176.83 176.50 1nu1 h ARG 188 N 1.02 0.87 0.00 3.45 2.47 -0.50 -3.39 114.38 118.29 1nu1 h ARG 188 Ca 0.32 -0.15 -0.30 0.00 -1.26 0.00 0.00 59.98 58.59 1nu1 h ARG 188 Cb -0.00 -0.14 -0.05 0.00 -1.65 0.00 0.00 29.97 28.12 1nu1 h ARG 188 CO -0.11 0.74 -2.12 0.72 0.56 0.00 0.00 179.97 179.76 1nu1 n HIS 189 N -4.49 0.00 -1.23 3.04 8.25 0.13 -4.75 115.22 116.17 1nu1 n HIS 189 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 1nu1 n HIS 189 Cb 0.16 -0.75 -0.03 0.00 1.12 0.00 0.00 29.99 30.48 1nu1 n HIS 189 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1nu1 n TYR 190 N -3.12 2.23 -4.56 4.41 0.53 0.32 -4.86 117.16 112.12 1nu1 n TYR 190 Ca -0.35 -2.22 -0.22 0.00 -1.02 0.00 0.00 57.90 54.09 1nu1 n TYR 190 Cb 0.87 -1.97 -0.15 0.00 -1.03 0.00 0.00 39.34 37.05 1nu1 n TYR 190 CO 0.00 0.00 0.00 -1.59 -1.02 0.00 0.00 176.86 174.25 1nu1 s LYS 191 N 4.06 1.15 0.00 -0.72 -2.85 -1.26 -4.88 119.74 115.24 1nu1 s LYS 191 Ca 0.52 -0.43 0.00 0.00 -1.00 0.00 0.00 55.97 55.06 1nu1 s LYS 191 Cb 0.14 -1.07 0.00 0.00 -2.06 0.00 0.00 37.83 34.84 1nu1 s LYS 191 CO 0.03 0.21 0.00 0.00 0.10 0.00 0.00 175.35 175.69 1nu1 n ALA 192 N 3.03 0.00 0.37 0.59 0.00 -1.26 -0.41 120.51 122.83 1nu1 n ALA 192 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.31 1nu1 n ALA 192 Cb 0.55 0.00 0.18 0.00 0.00 0.00 0.00 19.45 20.18 1nu1 n ALA 192 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nu1 n PRO 193 N -2.94 0.16 -0.06 0.00 -0.02 -1.22 -0.31 135.00 130.61 1nu1 n PRO 193 Ca 0.00 0.09 0.05 0.00 -2.02 0.00 0.00 63.50 61.62 1nu1 n PRO 193 Cb 0.00 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.06 1nu1 n PRO 193 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nu1 n ARG 194 N -1.11 1.38 -4.26 -0.52 1.74 0.46 -4.98 116.66 109.36 1nu1 n ARG 194 Ca 0.04 -1.45 -0.17 0.00 -0.77 0.00 0.00 57.85 55.50 1nu1 n ARG 194 Cb 0.03 -1.21 -0.14 0.00 -1.02 0.00 0.00 32.46 30.13 1nu1 n ARG 194 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nu1 s MET 195 N -0.89 0.66 -0.06 5.56 0.23 0.57 0.23 119.30 125.60 1nu1 s MET 195 Ca 0.15 -0.45 0.05 0.00 -1.03 0.00 0.00 55.69 54.41 1nu1 s MET 195 Cb 0.09 -0.61 -0.02 0.00 -1.53 0.00 0.00 34.83 32.76 1nu1 s MET 195 CO 0.13 0.16 -0.20 0.08 -2.03 0.00 0.00 175.02 173.16 1nu1 s VAL 196 N -0.52 2.54 -0.27 5.16 1.01 0.14 -3.53 120.40 124.94 1nu1 s VAL 196 Ca 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.95 1nu1 s VAL 196 Cb -0.05 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1nu1 s VAL 196 CO 0.00 0.57 0.31 -0.22 0.00 0.00 0.00 175.10 175.76 1nu1 s LEU 197 N -0.37 4.03 0.09 3.92 2.96 0.17 -1.25 118.68 128.23 1nu1 s LEU 197 Ca 0.03 0.19 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 1nu1 s LEU 197 Cb -0.12 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.22 1nu1 s LEU 197 CO 0.02 -0.13 -0.22 0.00 -1.32 0.00 0.00 176.35 174.70 1nu1 s ALA 198 N 1.94 1.90 0.23 5.97 0.00 -0.56 0.17 121.76 131.41 1nu1 s ALA 198 Ca 0.12 -1.24 -0.12 0.00 0.00 0.00 0.00 51.96 50.73 1nu1 s ALA 198 Cb -0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 23.12 22.66 1nu1 s ALA 198 CO 0.10 0.41 0.44 0.00 0.00 0.00 0.00 175.76 176.70 1nu1 s ALA 199 N -1.04 -0.21 -0.29 0.00 0.00 -0.42 -1.68 121.76 118.14 1nu1 s ALA 199 Ca 0.08 -0.85 -0.17 0.00 0.00 0.00 0.00 51.96 51.01 1nu1 s ALA 199 Cb -0.10 1.03 0.12 0.00 0.00 0.00 0.00 23.12 24.18 1nu1 s ALA 199 CO 0.04 -0.81 0.89 0.00 0.00 0.00 0.00 175.76 175.88 1nu1 s ALA 200 N -4.00 -2.12 0.00 0.00 0.00 -0.99 -2.96 121.76 111.69 1nu1 s ALA 200 Ca 0.21 2.23 0.00 0.00 0.00 0.00 0.00 51.96 54.41 1nu1 s ALA 200 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.53 1nu1 s ALA 200 CO 0.07 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1nu1 n GLY 201 N 3.71 0.13 3.40 0.00 0.00 -1.22 -1.67 105.19 109.55 1nu1 n GLY 201 Ca -0.18 -1.15 -0.45 0.00 0.00 0.00 0.00 46.02 44.24 1nu1 n GLY 201 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nu1 s GLY 202 N 0.00 2.51 -0.06 -0.02 0.00 -1.16 0.23 107.32 108.82 1nu1 s GLY 202 Ca 0.00 -3.29 -0.15 0.00 0.00 0.00 0.00 44.72 41.28 1nu1 s GLY 202 CO 0.00 1.71 0.34 0.48 0.00 0.00 0.00 173.10 175.63 1nu1 s LEU 203 N 0.97 0.70 -0.02 0.66 2.34 -1.26 -4.83 118.68 117.24 1nu1 s LEU 203 Ca 0.32 0.35 -0.22 0.00 0.06 0.00 0.00 54.13 54.63 1nu1 s LEU 203 Cb -0.06 1.31 -0.05 0.00 -0.56 0.00 0.00 46.19 46.83 1nu1 s LEU 203 CO -0.06 -0.34 0.67 -1.61 -1.06 0.00 0.00 176.35 173.95 1nu1 s GLU 204 N -0.77 4.40 0.45 1.48 2.02 -1.26 -4.51 118.70 120.52 1nu1 s GLU 204 Ca -0.09 0.85 0.21 0.00 0.02 0.00 0.00 54.97 55.97 1nu1 s GLU 204 Cb -0.04 -3.39 1.19 0.00 0.10 0.00 0.00 34.13 32.00 1nu1 s GLU 204 CO 0.03 0.24 1.85 1.25 0.02 0.00 0.00 175.26 178.65 1nu1 h HIS 205 N 6.06 0.41 -0.69 1.61 -0.00 -1.99 -1.36 115.15 119.20 1nu1 h HIS 205 Ca -0.43 0.01 0.14 0.00 -0.00 0.00 0.00 60.37 60.09 1nu1 h HIS 205 Cb 1.20 -0.12 -0.10 0.00 -0.00 0.00 0.00 27.41 28.39 1nu1 h HIS 205 CO 0.65 0.09 0.19 0.00 -0.00 0.00 0.00 177.93 178.86 1nu1 h ARG 206 N 0.30 0.30 -0.29 5.26 3.08 -2.01 -1.85 114.38 119.17 1nu1 h ARG 206 Ca 0.48 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.56 1nu1 h ARG 206 Cb 1.37 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 31.30 1nu1 h ARG 206 CO -0.15 0.20 0.01 1.96 -1.07 0.00 0.00 179.97 180.92 1nu1 h GLN 207 N 0.31 0.10 -0.25 0.04 4.20 -1.65 -1.51 115.11 116.35 1nu1 h GLN 207 Ca 0.37 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.13 1nu1 h GLN 207 Cb 0.59 -0.02 -0.08 0.00 0.30 0.00 0.00 27.48 28.27 1nu1 h GLN 207 CO -0.44 0.06 -0.44 -0.07 -0.67 0.00 0.00 178.83 177.27 1nu1 h LEU 208 N 0.10 -1.43 -0.31 1.46 3.38 -1.41 -0.31 115.31 116.78 1nu1 h LEU 208 Ca 0.14 0.20 0.07 0.00 0.09 0.00 0.00 57.88 58.37 1nu1 h LEU 208 Cb 0.18 0.60 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 1nu1 h LEU 208 CO -0.23 -0.41 -0.38 -0.07 0.09 0.00 0.00 178.44 177.45 1nu1 h LEU 209 N -0.43 -1.23 -0.73 1.67 3.38 -1.24 1.30 115.31 118.03 1nu1 h LEU 209 Ca 0.10 0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.42 1nu1 h LEU 209 Cb 0.61 0.54 -0.12 0.00 0.09 0.00 0.00 40.66 41.78 1nu1 h LEU 209 CO -0.48 -0.36 0.03 0.44 0.09 0.00 0.00 178.44 178.15 1nu1 h ASP 210 N -0.34 -0.28 0.06 -0.43 3.45 -0.44 0.90 116.42 119.33 1nu1 h ASP 210 Ca 0.13 0.18 -0.00 0.00 0.43 0.00 0.00 57.03 57.77 1nu1 h ASP 210 Cb 0.57 0.31 0.00 0.00 -0.56 0.00 0.00 39.33 39.65 1nu1 h ASP 210 CO -0.50 -0.15 -0.03 -0.07 -1.57 0.00 0.00 179.24 176.92 1nu1 h LEU 211 N 0.13 -0.07 -0.79 1.55 3.38 0.25 0.23 115.31 119.98 1nu1 h LEU 211 Ca 0.40 -0.46 0.19 0.00 0.09 0.00 0.00 57.88 58.09 1nu1 h LEU 211 Cb 0.69 0.02 -0.13 0.00 0.09 0.00 0.00 40.66 41.32 1nu1 h LEU 211 CO -0.62 0.45 0.06 0.00 0.09 0.00 0.00 178.44 178.42 1nu1 h ALA 212 N 0.25 0.91 -0.20 1.53 0.00 0.34 1.47 119.26 123.55 1nu1 h ALA 212 Ca -0.01 0.24 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1nu1 h ALA 212 Cb 0.53 0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1nu1 h ALA 212 CO 0.01 -0.43 -0.37 1.96 0.00 0.00 0.00 179.25 180.42 1nu1 h GLN 213 N 0.13 0.44 -0.40 0.00 1.08 0.86 -1.71 115.11 115.52 1nu1 h GLN 213 Ca 0.45 -0.20 -0.12 0.00 -1.45 0.00 0.00 58.65 57.32 1nu1 h GLN 213 Cb 0.82 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.24 1nu1 h GLN 213 CO -0.67 0.75 -0.24 -0.22 -0.95 0.00 0.00 178.83 177.50 1nu1 h LYS 214 N 0.37 0.87 -0.00 1.46 3.64 0.54 -3.23 116.57 120.22 1nu1 h LYS 214 Ca 0.04 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1nu1 h LYS 214 Cb 0.82 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1nu1 h LYS 214 CO 0.07 1.04 -0.01 0.72 -2.27 0.00 0.00 179.45 179.00 1nu1 n HIS 215 N -4.19 0.00 0.14 1.91 -0.00 -0.18 -4.56 115.22 108.34 1nu1 n HIS 215 Ca -0.02 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.73 1nu1 n HIS 215 Cb 0.46 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.47 1nu1 n HIS 215 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1nu1 n PHE 216 N -0.02 0.03 -2.31 4.41 3.01 -0.64 -4.82 117.46 117.12 1nu1 n PHE 216 Ca 0.01 -0.09 -0.43 0.00 1.01 0.00 0.00 57.45 57.95 1nu1 n PHE 216 Cb 0.05 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.49 1nu1 n PHE 216 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1nu1 s SER 217 N -0.48 6.47 0.00 4.37 0.15 -1.22 -3.83 113.70 119.16 1nu1 s SER 217 Ca 0.06 1.20 0.00 0.00 0.70 0.00 0.00 55.95 57.91 1nu1 s SER 217 Cb 0.04 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1nu1 s SER 217 CO 0.06 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 173.86 1nu1 n GLY 218 N 4.66 0.80 0.00 9.45 0.00 -1.26 -5.05 105.19 113.78 1nu1 n GLY 218 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1nu1 n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1nu1 n LEU 219 N 0.00 0.00 0.00 0.99 4.77 -1.25 -4.89 117.00 116.63 1nu1 n LEU 219 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1nu1 n LEU 219 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1nu1 n LEU 219 CO 0.00 0.00 0.43 -0.24 -1.33 0.00 0.00 177.39 176.25 1nu1 n SER 220 N 0.00 0.00 0.00 -1.43 2.88 -1.26 -3.79 113.62 110.02 1nu1 n SER 220 Ca 0.00 0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1nu1 n SER 220 Cb 0.00 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 1nu1 n SER 220 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1nu1 n GLY 221 N -1.06 -3.09 3.11 0.46 0.00 -1.26 -2.50 105.19 100.84 1nu1 n GLY 221 Ca 0.00 0.58 -0.37 0.00 0.00 0.00 0.00 46.02 46.24 1nu1 n GLY 221 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nu1 s THR 222 N -2.93 4.01 0.00 2.61 2.01 -1.25 -4.89 115.64 115.21 1nu1 s THR 222 Ca 0.00 -3.26 0.00 0.00 0.31 0.00 0.00 61.69 58.74 1nu1 s THR 222 Cb 0.00 -3.56 0.00 0.00 0.01 0.00 0.00 72.50 68.95 1nu1 s THR 222 CO 0.00 -0.96 0.00 0.00 -0.69 0.00 0.00 174.62 172.97 1nu1 n TYR 223 N 3.11 0.00 0.00 4.92 -0.00 -1.04 -5.04 117.16 119.11 1nu1 n TYR 223 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 58.03 1nu1 n TYR 223 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.72 1nu1 n TYR 223 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.86 176.46 1nu1 n ASP 224 N 0.00 0.00 0.00 2.98 5.68 -1.25 -4.86 116.55 119.09 1nu1 n ASP 224 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1nu1 n ASP 224 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1nu1 n ASP 224 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1nu1 n GLU 225 N 0.00 0.00 -1.32 0.11 1.02 -1.26 -4.79 120.64 114.40 1nu1 n GLU 225 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 1nu1 n GLU 225 Cb 0.00 0.00 0.09 0.00 -0.02 0.00 0.00 31.44 31.51 1nu1 n GLU 225 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1nu1 s ASP 226 N -4.00 4.41 0.00 1.62 -1.08 -1.26 -4.00 116.67 112.36 1nu1 s ASP 226 Ca 0.00 1.96 0.00 0.00 -0.52 0.00 0.00 52.55 53.99 1nu1 s ASP 226 Cb 0.00 -2.54 0.00 0.00 -1.46 0.00 0.00 42.92 38.92 1nu1 s ASP 226 CO 0.00 -2.10 0.00 0.00 0.52 0.00 0.00 175.17 173.59 1nu1 n ALA 227 N -3.27 0.00 -3.76 3.66 0.00 -1.26 -5.04 120.51 110.83 1nu1 n ALA 227 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.19 1nu1 n ALA 227 Cb 0.52 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.51 1nu1 n ALA 227 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nu1 s VAL 228 N -2.00 3.49 0.57 0.00 1.01 -1.26 -5.04 120.40 117.18 1nu1 s VAL 228 Ca 0.00 -2.97 -0.11 0.00 0.00 0.00 0.00 61.98 58.90 1nu1 s VAL 228 Cb 0.00 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1nu1 s VAL 228 CO 0.00 -0.85 0.98 -2.84 0.00 0.00 0.00 175.10 172.39 1nu1 s PRO 229 N -0.03 3.67 0.65 2.72 0.02 -1.26 -5.09 135.00 135.68 1nu1 s PRO 229 Ca 0.16 0.71 0.03 0.00 0.02 0.00 0.00 61.00 61.93 1nu1 s PRO 229 Cb -0.21 -2.14 0.10 0.00 0.02 0.00 0.00 34.50 32.27 1nu1 s PRO 229 CO -0.03 -0.44 0.90 0.99 -0.33 0.00 0.00 177.00 178.09 1nu1 s THR 230 N -2.97 2.22 -0.14 0.99 2.01 -1.26 -5.07 115.64 111.42 1nu1 s THR 230 Ca 0.55 -0.75 -0.23 0.00 0.31 0.00 0.00 61.69 61.57 1nu1 s THR 230 Cb -0.11 -2.47 -0.03 0.00 0.01 0.00 0.00 72.50 69.91 1nu1 s THR 230 CO 0.47 0.00 0.71 -0.76 -0.69 0.00 0.00 174.62 174.35 1nu1 s LEU 231 N -4.93 4.22 0.05 4.42 1.43 -1.26 -5.06 118.68 117.56 1nu1 s LEU 231 Ca 0.64 1.07 -0.27 0.00 -1.03 0.00 0.00 54.13 54.53 1nu1 s LEU 231 Cb -0.06 -3.05 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 1nu1 s LEU 231 CO 0.42 -0.24 0.86 -0.94 0.23 0.00 0.00 176.35 176.68 1nu1 s SER 232 N 1.01 7.32 0.54 2.29 1.04 -1.26 -5.04 113.70 119.60 1nu1 s SER 232 Ca 0.35 1.58 -0.21 0.00 0.48 0.00 0.00 55.95 58.15 1nu1 s SER 232 Cb -0.17 -2.52 -0.07 0.00 0.10 0.00 0.00 66.02 63.36 1nu1 s SER 232 CO 0.14 -0.06 1.01 -2.65 0.98 0.00 0.00 173.24 172.65 1nu1 n PRO 233 N 3.03 1.13 -4.33 4.02 -0.02 -1.26 -5.00 135.00 132.56 1nu1 n PRO 233 Ca 0.01 0.42 -0.33 0.00 -2.02 0.00 0.00 63.50 61.57 1nu1 n PRO 233 Cb 0.50 -2.16 -0.16 0.00 -0.02 0.00 0.00 33.50 31.66 1nu1 n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nu1 s ARG 235 N 1.07 3.95 0.32 0.00 3.52 -1.26 -4.98 118.95 121.57 1nu1 s ARG 235 Ca -0.01 1.11 -0.27 0.00 -0.13 0.00 0.00 55.73 56.43 1nu1 s ARG 235 Cb -0.14 -3.83 -0.09 0.00 -1.56 0.00 0.00 34.95 29.32 1nu1 s ARG 235 CO -0.05 -1.07 1.03 0.12 -0.81 0.00 0.00 175.30 174.52 1nu1 s PHE 236 N 4.13 3.55 -0.10 5.12 5.36 -1.26 -4.43 117.98 130.35 1nu1 s PHE 236 Ca 0.51 1.73 0.02 0.00 -0.96 0.00 0.00 56.93 58.23 1nu1 s PHE 236 Cb -0.14 -3.12 -0.08 0.00 -0.34 0.00 0.00 43.02 39.34 1nu1 s PHE 236 CO 0.21 -0.30 -0.07 2.41 -1.46 0.00 0.00 175.22 176.01 1nu1 n THR 237 N 0.68 0.60 -1.92 0.12 -1.04 0.14 -4.99 114.28 107.86 1nu1 n THR 237 Ca 0.01 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.05 61.76 1nu1 n THR 237 Cb 0.48 -0.86 0.00 0.00 -1.82 0.00 0.00 70.33 68.13 1nu1 n THR 237 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nu1 n GLY 238 N 2.90 -2.14 0.00 3.41 0.00 -1.26 -5.01 105.19 103.09 1nu1 n GLY 238 Ca -0.18 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1nu1 n GLY 238 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1nu1 n SER 239 N -0.09 0.00 -3.57 1.61 3.41 -1.15 -4.88 113.62 108.95 1nu1 n SER 239 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.49 1nu1 n SER 239 Cb 0.07 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 1nu1 n SER 239 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1nu1 s GLN 240 N 2.00 0.84 -0.10 4.33 0.74 -1.25 -0.04 119.66 126.18 1nu1 s GLN 240 Ca 0.00 0.43 -0.03 0.00 0.05 0.00 0.00 55.36 55.81 1nu1 s GLN 240 Cb 0.00 0.40 0.05 0.00 1.10 0.00 0.00 33.01 34.56 1nu1 s GLN 240 CO 0.00 -0.22 0.14 -1.50 -0.55 0.00 0.00 175.29 173.16 1nu1 s ILE 241 N -0.67 -0.22 -0.21 -2.34 2.07 0.12 -4.92 121.20 115.03 1nu1 s ILE 241 Ca -0.05 0.27 0.01 0.00 -1.41 0.00 0.00 60.65 59.47 1nu1 s ILE 241 Cb -0.02 -0.33 0.04 0.00 0.13 0.00 0.00 42.46 42.28 1nu1 s ILE 241 CO 0.04 0.07 -0.12 0.00 -1.91 0.00 0.00 174.94 173.03 1nu1 s HIS 243 N 1.32 3.91 0.16 0.00 2.46 -0.08 -4.99 115.29 118.07 1nu1 s HIS 243 Ca -0.02 -2.59 -0.31 0.00 0.47 0.00 0.00 55.06 52.61 1nu1 s HIS 243 Cb -0.16 -3.59 -0.09 0.00 -0.13 0.00 0.00 32.58 28.60 1nu1 s HIS 243 CO -0.08 -0.89 1.47 0.50 -2.47 0.00 0.00 174.74 173.26 1nu1 s ARG 244 N -0.72 4.27 -0.51 2.88 6.06 -1.26 -3.08 118.95 126.60 1nu1 s ARG 244 Ca 0.24 2.23 0.07 0.00 -2.50 0.00 0.00 55.73 55.77 1nu1 s ARG 244 Cb -0.11 -3.19 0.19 0.00 0.06 0.00 0.00 34.95 31.90 1nu1 s ARG 244 CO -0.09 -0.50 0.69 -2.00 -2.50 0.00 0.00 175.30 170.90 1nu1 s GLU 245 N 0.87 1.05 0.00 5.12 -6.30 0.74 -4.89 118.70 115.29 1nu1 s GLU 245 Ca 0.66 -1.14 0.00 0.00 -2.50 0.00 0.00 54.97 51.99 1nu1 s GLU 245 Cb -0.40 -0.17 0.00 0.00 0.00 0.00 0.00 34.13 33.55 1nu1 s GLU 245 CO 0.33 -1.33 0.72 -0.25 0.02 0.00 0.00 175.26 174.75 1nu1 n ASP 246 N 2.99 0.00 0.15 -1.70 9.92 -1.26 -1.14 116.55 125.50 1nu1 n ASP 246 Ca 0.19 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.71 1nu1 n ASP 246 Cb 0.55 -0.25 0.19 0.00 -0.64 0.00 0.00 41.12 40.97 1nu1 n ASP 246 CO 0.00 0.00 0.00 1.23 0.13 0.00 0.00 177.20 178.56 1nu1 h GLY 247 N 0.00 0.00 -3.62 0.44 0.00 -1.94 -3.43 103.07 94.51 1nu1 h GLY 247 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 1nu1 h GLY 247 CO 0.00 0.00 0.38 1.08 0.00 0.00 0.00 176.54 178.00 1nu1 s LEU 248 N -7.32 4.57 0.05 3.11 1.43 -0.29 -4.95 118.68 115.27 1nu1 s LEU 248 Ca -0.00 2.01 0.26 0.00 -1.03 0.00 0.00 54.13 55.37 1nu1 s LEU 248 Cb 0.12 -3.69 0.73 0.00 0.03 0.00 0.00 46.19 43.37 1nu1 s LEU 248 CO 0.74 0.04 1.59 -0.81 0.23 0.00 0.00 176.35 178.14 1nu1 n PRO 249 N 1.23 0.10 -4.03 1.29 -0.04 -1.26 -4.40 135.00 127.89 1nu1 n PRO 249 Ca -0.01 0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.38 1nu1 n PRO 249 Cb 0.47 -1.58 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 1nu1 n PRO 249 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nu1 s LEU 250 N -3.47 2.26 -0.12 1.53 1.43 -1.26 -4.68 118.68 114.36 1nu1 s LEU 250 Ca 0.11 -0.55 -0.09 0.00 -1.03 0.00 0.00 54.13 52.57 1nu1 s LEU 250 Cb 0.16 -0.04 -0.04 0.00 0.03 0.00 0.00 46.19 46.30 1nu1 s LEU 250 CO 0.64 -0.26 0.19 0.00 0.23 0.00 0.00 176.35 177.15 1nu1 s ALA 251 N -1.50 3.80 -0.21 4.21 0.00 -0.16 -4.44 121.76 123.45 1nu1 s ALA 251 Ca -0.12 -0.58 -0.09 0.00 0.00 0.00 0.00 51.96 51.17 1nu1 s ALA 251 Cb -0.09 -2.10 -0.05 0.00 0.00 0.00 0.00 23.12 20.88 1nu1 s ALA 251 CO -0.00 0.47 0.11 -1.01 0.00 0.00 0.00 175.76 175.33 1nu1 s HIS 252 N -0.64 3.32 0.03 0.00 3.76 -0.14 -2.04 115.29 119.58 1nu1 s HIS 252 Ca 0.15 0.18 0.06 0.00 -0.15 0.00 0.00 55.06 55.30 1nu1 s HIS 252 Cb -0.12 -2.17 -0.02 0.00 1.11 0.00 0.00 32.58 31.37 1nu1 s HIS 252 CO 0.04 0.15 -0.18 0.08 -0.85 0.00 0.00 174.74 173.98 1nu1 s VAL 253 N 0.62 1.46 -0.28 -0.90 1.01 -1.06 -0.75 120.40 120.50 1nu1 s VAL 253 Ca 0.06 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1nu1 s VAL 253 Cb -0.12 -1.27 0.13 0.00 0.00 0.00 0.00 36.38 35.11 1nu1 s VAL 253 CO 0.01 0.18 0.27 0.00 0.00 0.00 0.00 175.10 175.56 1nu1 s ALA 254 N -0.75 -0.35 0.02 5.51 0.00 0.12 -1.23 121.76 125.07 1nu1 s ALA 254 Ca 0.06 -0.31 -0.05 0.00 0.00 0.00 0.00 51.96 51.66 1nu1 s ALA 254 Cb -0.08 -1.71 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 1nu1 s ALA 254 CO 0.01 -1.65 0.25 -1.50 0.00 0.00 0.00 175.76 172.88 1nu1 s ILE 255 N 2.34 5.33 -0.05 0.00 2.07 -1.11 -2.02 121.20 127.75 1nu1 s ILE 255 Ca 0.09 0.05 -0.28 0.00 -1.41 0.00 0.00 60.65 59.10 1nu1 s ILE 255 Cb -0.14 -3.57 0.06 0.00 0.13 0.00 0.00 42.46 38.94 1nu1 s ILE 255 CO -0.31 0.31 0.62 0.00 -1.91 0.00 0.00 174.94 173.65 1nu1 s ALA 256 N -1.35 -1.60 0.15 1.50 0.00 -0.64 -2.38 121.76 117.44 1nu1 s ALA 256 Ca 0.29 1.18 0.09 0.00 0.00 0.00 0.00 51.96 53.52 1nu1 s ALA 256 Cb -0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1nu1 s ALA 256 CO 0.18 -0.35 -0.15 0.14 0.00 0.00 0.00 175.76 175.58 1nu1 s VAL 257 N -1.15 2.94 0.23 0.00 -7.23 -0.41 0.17 120.40 114.95 1nu1 s VAL 257 Ca -0.11 -1.64 -0.31 0.00 -1.81 0.00 0.00 61.98 58.11 1nu1 s VAL 257 Cb -0.01 -2.41 -0.11 0.00 0.56 0.00 0.00 36.38 34.41 1nu1 s VAL 257 CO 0.09 -0.02 1.59 -0.70 -0.31 0.00 0.00 175.10 175.75 1nu1 s GLU 258 N -2.52 4.17 0.39 4.82 2.12 -1.26 -1.72 118.70 124.70 1nu1 s GLU 258 Ca 0.21 2.48 0.08 0.00 0.36 0.00 0.00 54.97 58.10 1nu1 s GLU 258 Cb -0.09 -3.09 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 1nu1 s GLU 258 CO 0.12 -0.62 0.11 0.20 -0.54 0.00 0.00 175.26 174.54 1nu1 s GLY 259 N 0.81 2.25 0.55 -1.50 0.00 0.40 -4.85 107.32 104.98 1nu1 s GLY 259 Ca 0.67 -2.07 -0.07 0.00 0.00 0.00 0.00 44.72 43.25 1nu1 s GLY 259 CO 0.39 -1.92 0.89 2.56 0.00 0.00 0.00 173.10 175.02 1nu1 s PRO 260 N -3.83 3.42 1.10 2.90 0.04 -1.26 -0.76 135.00 136.60 1nu1 s PRO 260 Ca 0.38 0.34 -0.16 0.00 0.04 0.00 0.00 61.00 61.60 1nu1 s PRO 260 Cb 0.03 -2.25 0.24 0.00 0.04 0.00 0.00 34.50 32.55 1nu1 s PRO 260 CO 0.21 -0.44 1.10 0.20 0.04 0.00 0.00 177.00 178.12 1nu1 s GLY 261 N -4.17 1.57 0.05 0.56 0.00 -1.22 -4.42 107.32 99.69 1nu1 s GLY 261 Ca 0.51 -0.66 -0.10 0.00 0.00 0.00 0.00 44.72 44.47 1nu1 s GLY 261 CO 0.48 0.08 0.58 0.79 0.00 0.00 0.00 173.10 175.03 1nu1 n TRP 262 N -4.46 -0.14 0.54 1.90 7.02 -1.11 -1.53 117.44 119.66 1nu1 n TRP 262 Ca 0.09 0.40 0.12 0.00 -1.02 0.00 0.00 57.50 57.09 1nu1 n TRP 262 Cb 0.58 -0.46 0.45 0.00 -2.42 0.00 0.00 31.31 29.47 1nu1 n TRP 262 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nu1 n ALA 263 N -3.43 1.93 -1.72 6.99 0.00 -1.26 -4.86 120.51 118.17 1nu1 n ALA 263 Ca 0.01 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 1nu1 n ALA 263 Cb 0.08 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.10 1nu1 n ALA 263 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1nu1 n HIS 264 N -2.11 2.62 0.21 0.00 -0.00 -0.58 -4.91 115.22 110.45 1nu1 n HIS 264 Ca 0.04 0.26 0.05 0.00 -0.00 0.00 0.00 57.72 58.07 1nu1 n HIS 264 Cb 0.30 -2.57 0.47 0.00 -0.00 0.00 0.00 29.99 28.19 1nu1 n HIS 264 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1nu1 h PRO 265 N 5.07 0.00 -1.00 1.57 0.11 -1.90 -3.22 132.00 132.64 1nu1 h PRO 265 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nu1 h PRO 265 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1nu1 h PRO 265 CO 0.82 0.25 0.00 -0.40 -0.21 0.00 0.00 178.00 178.46 1nu1 n ASP 266 N -4.15 1.59 0.03 -2.05 3.85 -1.26 -3.35 116.55 111.21 1nu1 n ASP 266 Ca -0.02 -1.61 -0.22 0.00 -0.71 0.00 0.00 54.79 52.23 1nu1 n ASP 266 Cb 0.31 -0.40 -0.14 0.00 -1.35 0.00 0.00 41.12 39.53 1nu1 n ASP 266 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.20 176.97 1nu1 h ASN 267 N 0.29 0.47 -0.38 -1.12 2.35 -1.93 -2.92 115.58 112.34 1nu1 h ASN 267 Ca 0.00 -0.91 0.07 0.00 -0.55 0.00 0.00 56.30 54.91 1nu1 h ASN 267 Cb 0.60 -0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.75 1nu1 h ASN 267 CO 0.00 1.76 -0.02 0.58 -1.65 0.00 0.00 177.43 178.10 1nu1 h VAL 268 N -0.05 0.69 -0.61 2.81 2.07 -1.84 0.51 116.25 119.83 1nu1 h VAL 268 Ca -0.36 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1nu1 h VAL 268 Cb 1.96 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.31 1nu1 h VAL 268 CO 0.10 0.01 0.35 0.00 0.02 0.00 0.00 177.57 178.05 1nu1 h ALA 269 N 1.34 0.78 -0.72 1.67 0.00 -1.78 -1.37 119.26 119.18 1nu1 h ALA 269 Ca 0.18 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nu1 h ALA 269 Cb 0.26 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1nu1 h ALA 269 CO -0.33 0.28 0.47 -0.07 0.00 0.00 0.00 179.25 179.60 1nu1 h LEU 270 N 0.83 0.79 -0.68 0.00 3.38 -0.96 -1.79 115.31 116.88 1nu1 h LEU 270 Ca 0.22 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.12 1nu1 h LEU 270 Cb 0.02 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1nu1 h LEU 270 CO -0.04 0.56 0.23 1.56 0.09 0.00 0.00 178.44 180.84 1nu1 h GLN 271 N 0.93 1.05 -0.23 1.13 1.08 0.56 -0.40 115.11 119.23 1nu1 h GLN 271 Ca 0.28 -0.22 0.02 0.00 -1.45 0.00 0.00 58.65 57.28 1nu1 h GLN 271 Cb -0.05 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 1nu1 h GLN 271 CO -0.08 0.90 0.09 0.28 -0.95 0.00 0.00 178.83 179.07 1nu1 h VAL 272 N 0.99 0.96 -0.88 -0.54 2.07 -0.87 0.83 116.25 118.82 1nu1 h VAL 272 Ca 0.22 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.72 1nu1 h VAL 272 Cb 0.28 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1nu1 h VAL 272 CO -0.01 0.04 0.58 0.00 0.02 0.00 0.00 177.57 178.19 1nu1 h ALA 273 N 1.14 1.49 0.71 1.67 0.00 -1.04 -1.08 119.26 122.14 1nu1 h ALA 273 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1nu1 h ALA 273 Cb 0.05 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nu1 h ALA 273 CO -0.09 0.40 -0.34 -0.91 0.00 0.00 0.00 179.25 178.31 1nu1 h ASN 274 N 1.05 -0.80 -0.94 0.00 -0.26 -0.38 -2.79 115.58 111.46 1nu1 h ASN 274 Ca 0.36 0.01 0.28 0.00 -0.56 0.00 0.00 56.30 56.39 1nu1 h ASN 274 Cb 0.11 0.21 -0.15 0.00 -1.06 0.00 0.00 38.32 37.43 1nu1 h ASN 274 CO -0.12 -0.52 0.38 0.00 -1.06 0.00 0.00 177.43 176.11 1nu1 h ALA 275 N -0.81 1.59 -1.00 -0.83 0.00 -0.27 1.11 119.26 119.05 1nu1 h ALA 275 Ca -0.10 0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1nu1 h ALA 275 Cb 0.75 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1nu1 h ALA 275 CO 0.16 -0.53 0.66 0.82 0.00 0.00 0.00 179.25 180.35 1nu1 h ILE 276 N 0.24 1.17 0.22 0.00 2.04 -1.00 -2.35 117.51 117.84 1nu1 h ILE 276 Ca 0.64 -0.43 -0.32 0.00 1.00 0.00 0.00 64.86 65.75 1nu1 h ILE 276 Cb 1.40 -0.20 0.04 0.00 -0.74 0.00 0.00 36.82 37.31 1nu1 h ILE 276 CO -0.65 0.23 -1.38 0.40 0.00 0.00 0.00 178.15 176.75 1nu1 h ILE 277 N 1.27 1.30 0.00 -0.67 2.04 0.66 -3.41 117.51 118.70 1nu1 h ILE 277 Ca 0.40 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.63 1nu1 h ILE 277 Cb 0.01 2.98 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1nu1 h ILE 277 CO -0.13 0.79 0.00 0.61 0.00 0.00 0.00 178.15 179.42 1nu1 n GLY 278 N 1.64 0.46 0.88 5.37 0.00 0.32 -4.53 105.19 109.33 1nu1 n GLY 278 Ca -0.16 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 44.95 1nu1 n GLY 278 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1nu1 n HIS 279 N 2.83 -0.18 -3.51 1.61 1.44 -1.26 -2.49 115.22 113.66 1nu1 n HIS 279 Ca 0.00 -0.76 -0.08 0.00 -2.01 0.00 0.00 57.72 54.87 1nu1 n HIS 279 Cb 0.00 0.07 -0.02 0.00 0.12 0.00 0.00 29.99 30.16 1nu1 n HIS 279 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1nu1 s TYR 280 N -2.30 -0.33 -0.09 -1.40 5.04 -0.88 -4.77 117.35 112.61 1nu1 s TYR 280 Ca 0.10 0.20 -0.30 0.00 -2.44 0.00 0.00 57.07 54.63 1nu1 s TYR 280 Cb 0.00 0.54 0.11 0.00 0.35 0.00 0.00 41.96 42.96 1nu1 s TYR 280 CO 0.07 -0.52 0.91 0.34 -1.34 0.00 0.00 175.55 175.01 1nu1 s ASP 281 N -2.46 -0.41 0.00 4.32 2.15 -1.26 -1.99 116.67 117.01 1nu1 s ASP 281 Ca 0.05 0.32 0.28 0.00 0.43 0.00 0.00 52.55 53.64 1nu1 s ASP 281 Cb -0.01 0.37 1.44 0.00 -0.30 0.00 0.00 42.92 44.42 1nu1 s ASP 281 CO -0.09 -0.48 1.98 0.00 -0.17 0.00 0.00 175.17 176.42 1nu1 n THR 283 N -1.28 0.62 -2.19 0.00 -2.24 -1.26 -4.91 114.28 103.02 1nu1 n THR 283 Ca 0.14 -0.69 -0.34 0.00 -2.27 0.00 0.00 64.05 60.88 1nu1 n THR 283 Cb 0.22 0.50 0.01 0.00 -2.10 0.00 0.00 70.33 68.95 1nu1 n THR 283 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1nu1 s TYR 284 N -1.38 2.72 -0.13 4.78 1.51 -0.82 -5.00 117.35 119.03 1nu1 s TYR 284 Ca 0.37 1.55 -0.08 0.00 -1.01 0.00 0.00 57.07 57.90 1nu1 s TYR 284 Cb 0.20 -3.22 -0.04 0.00 -0.11 0.00 0.00 41.96 38.78 1nu1 s TYR 284 CO 0.27 -1.47 0.15 0.20 -1.11 0.00 0.00 175.55 173.59 1nu1 s GLY 285 N -2.01 2.15 0.00 0.71 0.00 -1.26 -4.84 107.32 102.07 1nu1 s GLY 285 Ca 0.70 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.79 1nu1 s GLY 285 CO 0.29 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.78 1nu1 n GLY 286 N 2.35 -2.69 0.00 0.20 0.00 -1.26 -4.96 105.19 98.83 1nu1 n GLY 286 Ca -0.19 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.04 1nu1 n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nu1 n GLY 287 N 0.48 0.36 0.39 -0.02 0.00 -1.26 -4.52 105.19 100.62 1nu1 n GLY 287 Ca 0.00 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.37 1nu1 n GLY 287 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nu1 n ALA 288 N -2.91 1.17 1.54 4.61 0.00 -1.26 0.26 120.51 123.92 1nu1 n ALA 288 Ca 0.00 0.86 0.13 0.00 0.00 0.00 0.00 53.44 54.43 1nu1 n ALA 288 Cb 0.00 -0.98 0.55 0.00 0.00 0.00 0.00 19.45 19.02 1nu1 n ALA 288 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nu1 n HIS 289 N -4.77 0.06 -1.68 0.00 8.25 -1.26 -4.86 115.22 110.95 1nu1 n HIS 289 Ca 0.37 -0.03 -0.40 0.00 -0.26 0.00 0.00 57.72 57.41 1nu1 n HIS 289 Cb 1.38 0.00 0.03 0.00 1.12 0.00 0.00 29.99 32.52 1nu1 n HIS 289 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1nu1 n LEU 290 N -0.03 4.17 0.19 2.41 4.77 0.14 -4.91 117.00 123.74 1nu1 n LEU 290 Ca 0.19 1.01 -0.14 0.00 -0.03 0.00 0.00 56.01 57.04 1nu1 n LEU 290 Cb 0.29 -1.48 -0.08 0.00 -2.33 0.00 0.00 43.42 39.82 1nu1 n LEU 290 CO 0.15 -0.96 0.57 0.28 -1.33 0.00 0.00 177.39 176.10 1nu1 h SER 291 N 1.55 -0.41 -1.99 -1.43 0.02 -1.89 -3.43 113.55 105.97 1nu1 h SER 291 Ca -0.48 -0.12 -0.63 0.00 -0.84 0.00 0.00 61.79 59.72 1nu1 h SER 291 Cb 1.32 0.11 0.02 0.00 0.14 0.00 0.00 62.40 63.98 1nu1 h SER 291 CO 0.57 -0.09 1.08 -0.24 -1.14 0.00 0.00 176.83 177.01 1nu1 n SER 292 N -5.19 3.35 -0.33 3.07 2.88 -1.26 -4.85 113.62 111.29 1nu1 n SER 292 Ca -0.10 0.98 0.08 0.00 -1.33 0.00 0.00 58.87 58.50 1nu1 n SER 292 Cb 0.27 -1.35 0.24 0.00 -0.75 0.00 0.00 64.21 62.62 1nu1 n SER 292 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1nu1 h PRO 293 N 8.99 0.79 0.81 -1.46 0.11 -1.85 0.31 132.00 139.70 1nu1 h PRO 293 Ca -0.48 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1nu1 h PRO 293 Cb 1.28 -0.18 0.01 0.00 0.11 0.00 0.00 31.00 32.22 1nu1 h PRO 293 CO 0.95 0.52 -0.39 1.25 -0.21 0.00 0.00 178.00 180.12 1nu1 h LEU 294 N 0.81 -0.93 -0.84 2.35 5.85 -1.89 -0.77 115.31 119.90 1nu1 h LEU 294 Ca 0.49 0.03 0.20 0.00 0.84 0.00 0.00 57.88 59.43 1nu1 h LEU 294 Cb 0.60 0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.75 1nu1 h LEU 294 CO -0.31 -0.63 0.32 0.00 -0.34 0.00 0.00 178.44 177.48 1nu1 h ALA 295 N -1.43 1.26 0.63 1.25 0.00 -1.52 0.72 119.26 120.18 1nu1 h ALA 295 Ca -0.11 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nu1 h ALA 295 Cb 0.84 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.81 1nu1 h ALA 295 CO 0.18 -0.33 -0.30 1.03 0.00 0.00 0.00 179.25 179.83 1nu1 h SER 296 N 0.37 -0.72 -0.81 0.00 0.87 -0.41 -0.83 113.55 112.01 1nu1 h SER 296 Ca 0.50 0.02 0.13 0.00 -1.23 0.00 0.00 61.79 61.22 1nu1 h SER 296 Cb 0.92 0.19 -0.09 0.00 -0.44 0.00 0.00 62.40 62.98 1nu1 h SER 296 CO -0.52 -0.41 0.42 0.40 -0.53 0.00 0.00 176.83 176.19 1nu1 h ILE 297 N -1.06 0.78 0.30 2.23 2.04 0.34 0.24 117.51 122.37 1nu1 h ILE 297 Ca -0.09 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1nu1 h ILE 297 Cb 0.65 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1nu1 h ILE 297 CO 0.14 0.12 -0.35 0.00 0.00 0.00 0.00 178.15 178.06 1nu1 h ALA 298 N 1.51 -0.72 -0.24 1.87 0.00 0.38 -0.70 119.26 121.36 1nu1 h ALA 298 Ca 0.43 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 1nu1 h ALA 298 Cb 0.54 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1nu1 h ALA 298 CO -0.33 -0.95 0.07 0.00 0.00 0.00 0.00 179.25 178.05 1nu1 h ALA 299 N -0.20 1.68 0.15 0.00 0.00 0.86 0.18 119.26 121.93 1nu1 h ALA 299 Ca -0.01 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 1nu1 h ALA 299 Cb 0.65 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.36 1nu1 h ALA 299 CO -0.10 0.25 -0.95 1.15 0.00 0.00 0.00 179.25 179.61 1nu1 h THR 300 N 0.34 1.45 -0.27 0.00 2.02 -0.20 -3.30 112.91 112.94 1nu1 h THR 300 Ca 0.08 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.74 1nu1 h THR 300 Cb 0.11 3.09 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 1nu1 h THR 300 CO -0.01 0.73 0.00 0.59 0.37 0.00 0.00 175.52 177.20 1nu1 n ASN 301 N -4.04 2.61 -3.62 4.18 3.02 -0.33 -4.98 115.26 112.10 1nu1 n ASN 301 Ca -0.14 -1.87 -0.23 0.00 -0.03 0.00 0.00 54.58 52.31 1nu1 n ASN 301 Cb 0.87 -0.17 0.07 0.00 -0.61 0.00 0.00 39.78 39.94 1nu1 n ASN 301 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1nu1 n LYS 302 N 0.95 -6.95 0.00 3.52 5.02 0.57 -4.89 118.16 116.37 1nu1 n LYS 302 Ca 0.18 0.77 0.10 0.00 -2.02 0.00 0.00 58.31 57.34 1nu1 n LYS 302 Cb 0.48 -5.75 0.60 0.00 -0.02 0.00 0.00 35.03 30.34 1nu1 n LYS 302 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1nu1 n LEU 303 N -4.68 0.00 -3.62 -0.35 4.77 -0.76 -4.87 117.00 107.49 1nu1 n LEU 303 Ca -0.09 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.91 1nu1 n LEU 303 Cb 0.59 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1nu1 n LEU 303 CO 0.66 0.00 1.08 0.00 -1.33 0.00 0.00 177.39 177.80 1nu1 n GLN 305 N -0.50 1.12 0.00 0.00 -0.06 -0.40 -4.92 117.38 112.62 1nu1 n GLN 305 Ca -0.09 -0.08 0.00 0.00 -2.00 0.00 0.00 57.00 54.83 1nu1 n GLN 305 Cb 0.63 -1.31 0.00 0.00 -4.06 0.00 0.00 30.24 25.50 1nu1 n GLN 305 CO 0.00 0.00 0.00 -1.13 -0.20 0.00 0.00 177.06 175.73 1nu1 n SER 306 N -1.75 0.00 -3.91 1.69 3.41 -1.24 -2.25 113.62 109.56 1nu1 n SER 306 Ca -0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1nu1 n SER 306 Cb 0.34 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.21 1nu1 n SER 306 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 1nu1 s PHE 307 N -0.65 1.78 -0.30 7.33 -0.71 -0.84 -1.71 117.98 122.88 1nu1 s PHE 307 Ca 0.00 -1.40 -0.17 0.00 -1.04 0.00 0.00 56.93 54.32 1nu1 s PHE 307 Cb 0.00 -1.06 0.20 0.00 -1.21 0.00 0.00 43.02 40.95 1nu1 s PHE 307 CO 0.00 -0.45 1.23 1.14 -1.34 0.00 0.00 175.22 175.80 1nu1 s GLN 308 N -3.62 0.08 0.84 1.99 -2.07 -0.63 -2.08 119.66 114.17 1nu1 s GLN 308 Ca 0.26 0.16 -0.12 0.00 -1.82 0.00 0.00 55.36 53.84 1nu1 s GLN 308 Cb 0.02 0.05 0.11 0.00 -1.09 0.00 0.00 33.01 32.10 1nu1 s GLN 308 CO 0.17 -0.02 1.19 0.95 -1.32 0.00 0.00 175.29 176.27 1nu1 s THR 309 N 1.41 2.04 0.10 3.63 -4.23 -1.04 -1.51 115.64 116.04 1nu1 s THR 309 Ca -0.06 -0.06 -0.27 0.00 -1.18 0.00 0.00 61.69 60.13 1nu1 s THR 309 Cb -0.02 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.92 1nu1 s THR 309 CO -0.12 0.00 1.07 0.72 -0.54 0.00 0.00 174.62 175.75 1nu1 s PHE 310 N -3.61 -0.09 -0.35 3.99 -0.12 0.18 -4.89 117.98 113.08 1nu1 s PHE 310 Ca 0.65 -0.15 0.03 0.00 -0.05 0.00 0.00 56.93 57.41 1nu1 s PHE 310 Cb -0.09 0.61 0.16 0.00 -0.63 0.00 0.00 43.02 43.07 1nu1 s PHE 310 CO 0.49 -0.65 0.40 1.21 -0.05 0.00 0.00 175.22 176.62 1nu1 s ASN 311 N -2.97 0.83 -0.22 1.98 2.47 -1.26 -1.98 114.94 113.79 1nu1 s ASN 311 Ca 0.13 -1.15 -0.24 0.00 0.42 0.00 0.00 52.86 52.02 1nu1 s ASN 311 Cb 0.01 0.79 -0.01 0.00 -1.45 0.00 0.00 41.25 40.59 1nu1 s ASN 311 CO 0.00 -0.29 0.79 -0.63 -3.72 0.00 0.00 177.10 173.25 1nu1 s ILE 312 N 1.82 4.88 -0.15 -5.21 1.01 0.23 -4.94 121.20 118.84 1nu1 s ILE 312 Ca 0.14 1.50 -0.11 0.00 0.00 0.00 0.00 60.65 62.18 1nu1 s ILE 312 Cb -0.13 -4.09 -0.05 0.00 0.01 0.00 0.00 42.46 38.20 1nu1 s ILE 312 CO -0.13 -0.02 0.22 0.00 0.00 0.00 0.00 174.94 175.00 1nu1 s TYR 314 N -0.04 1.64 0.00 0.00 1.51 0.96 -4.75 117.35 116.66 1nu1 s TYR 314 Ca 0.14 -0.89 0.00 0.00 -1.01 0.00 0.00 57.07 55.31 1nu1 s TYR 314 Cb -0.12 -0.95 0.00 0.00 -0.11 0.00 0.00 41.96 40.77 1nu1 s TYR 314 CO 0.03 0.01 0.11 0.00 -1.11 0.00 0.00 175.55 174.59 1nu1 n ALA 315 N -0.45 0.00 -1.79 3.71 0.00 -1.26 -2.52 120.51 118.19 1nu1 n ALA 315 Ca -0.05 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.42 1nu1 n ALA 315 Cb 0.64 0.06 0.16 0.00 0.00 0.00 0.00 19.45 20.31 1nu1 n ALA 315 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nu1 n ASP 316 N -1.34 1.86 -1.85 0.00 9.92 -1.26 -4.12 116.55 119.77 1nu1 n ASP 316 Ca 0.00 -3.57 -0.01 0.00 -0.53 0.00 0.00 54.79 50.67 1nu1 n ASP 316 Cb 0.00 -0.48 0.01 0.00 -0.64 0.00 0.00 41.12 40.01 1nu1 n ASP 316 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1nu1 n THR 317 N -0.83 0.00 0.00 -3.53 5.66 -1.05 -4.19 114.28 110.35 1nu1 n THR 317 Ca 0.19 -0.24 0.00 0.00 -3.05 0.00 0.00 64.05 60.95 1nu1 n THR 317 Cb 0.78 0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.87 1nu1 n THR 317 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1nu1 n GLY 318 N -0.27 2.01 3.90 1.09 0.00 0.06 -0.03 105.19 111.94 1nu1 n GLY 318 Ca -0.01 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 1nu1 n GLY 318 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nu1 s LEU 319 N 0.00 4.36 -0.07 0.99 1.43 -0.43 0.15 118.68 125.11 1nu1 s LEU 319 Ca 0.00 0.42 -0.03 0.00 -1.03 0.00 0.00 54.13 53.50 1nu1 s LEU 319 Cb 0.00 -2.69 0.04 0.00 0.03 0.00 0.00 46.19 43.56 1nu1 s LEU 319 CO 0.00 0.24 0.07 -0.22 0.23 0.00 0.00 176.35 176.67 1nu1 s LEU 320 N -1.96 0.17 0.00 1.79 2.96 -0.70 0.78 118.68 121.72 1nu1 s LEU 320 Ca 0.29 -0.04 0.00 0.00 -0.22 0.00 0.00 54.13 54.15 1nu1 s LEU 320 Cb -0.13 -0.14 0.00 0.00 0.50 0.00 0.00 46.19 46.43 1nu1 s LEU 320 CO 0.19 -0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.56 1nu1 n GLY 321 N 5.30 -0.96 3.32 7.98 0.00 -0.84 -1.29 105.19 118.70 1nu1 n GLY 321 Ca -0.04 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 1nu1 n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nu1 s ALA 322 N -1.00 1.46 -0.18 4.61 0.00 -1.00 0.47 121.76 126.12 1nu1 s ALA 322 Ca 0.00 -1.86 -0.14 0.00 0.00 0.00 0.00 51.96 49.96 1nu1 s ALA 322 Cb 0.00 1.39 0.05 0.00 0.00 0.00 0.00 23.12 24.56 1nu1 s ALA 322 CO 0.00 -0.68 0.46 -1.58 0.00 0.00 0.00 175.76 173.96 1nu1 s HIS 323 N -3.50 -0.56 0.20 0.00 5.04 -0.57 -2.76 115.29 113.13 1nu1 s HIS 323 Ca 0.38 1.30 0.03 0.00 -1.54 0.00 0.00 55.06 55.22 1nu1 s HIS 323 Cb 0.03 0.22 -0.01 0.00 0.04 0.00 0.00 32.58 32.86 1nu1 s HIS 323 CO 0.23 -0.29 0.09 1.97 -2.34 0.00 0.00 174.74 174.41 1nu1 n PHE 324 N 3.30 -0.06 -3.73 3.88 1.16 -0.37 -1.60 117.46 120.05 1nu1 n PHE 324 Ca -0.16 -1.35 -0.13 0.00 -1.87 0.00 0.00 57.45 53.94 1nu1 n PHE 324 Cb 0.56 0.04 -0.10 0.00 -1.61 0.00 0.00 39.48 38.37 1nu1 n PHE 324 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1nu1 s VAL 325 N -2.42 -0.00 -0.00 1.97 1.01 -0.69 -2.57 120.40 117.69 1nu1 s VAL 325 Ca 0.13 0.02 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 1nu1 s VAL 325 Cb 0.01 -0.58 0.10 0.00 0.00 0.00 0.00 36.38 35.91 1nu1 s VAL 325 CO 0.09 0.01 1.27 0.00 0.00 0.00 0.00 175.10 176.47 1nu1 s ASP 327 N -3.49 4.63 0.56 0.00 -1.08 -1.26 -0.99 116.67 115.03 1nu1 s ASP 327 Ca 0.24 2.39 0.26 0.00 -0.52 0.00 0.00 52.55 54.91 1nu1 s ASP 327 Cb 0.01 -2.59 1.50 0.00 -1.46 0.00 0.00 42.92 40.37 1nu1 s ASP 327 CO -0.01 -1.97 2.05 1.12 0.52 0.00 0.00 175.17 176.87 1nu1 h HIS 328 N 0.23 0.00 -0.61 -5.34 2.07 -1.85 -1.46 115.15 108.19 1nu1 h HIS 328 Ca -0.49 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 56.89 1nu1 h HIS 328 Cb 1.30 0.00 -0.08 0.00 2.57 0.00 0.00 27.41 31.20 1nu1 h HIS 328 CO 0.46 0.00 0.17 -1.33 -3.07 0.00 0.00 177.93 174.17 1nu1 n MET 329 N -4.10 3.71 -0.03 5.12 2.81 -1.26 -4.33 117.12 119.04 1nu1 n MET 329 Ca 0.05 -2.71 0.01 0.00 -1.81 0.00 0.00 57.70 53.23 1nu1 n MET 329 Cb 0.43 -2.13 0.01 0.00 -0.71 0.00 0.00 33.22 30.83 1nu1 n MET 329 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1nu1 n SER 330 N 0.10 1.34 0.09 7.83 7.64 -0.55 -4.76 113.62 125.31 1nu1 n SER 330 Ca 0.33 -1.78 -0.06 0.00 1.01 0.00 0.00 58.87 58.37 1nu1 n SER 330 Cb 1.22 -0.04 0.07 0.00 -1.01 0.00 0.00 64.21 64.45 1nu1 n SER 330 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 1nu1 h ILE 331 N 1.19 1.46 0.34 0.44 2.04 -1.76 -1.37 117.51 119.85 1nu1 h ILE 331 Ca 0.00 -2.32 -0.02 0.00 1.00 0.00 0.00 64.86 63.52 1nu1 h ILE 331 Cb 0.73 2.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.06 1nu1 h ILE 331 CO 0.00 0.68 -0.16 -0.78 0.00 0.00 0.00 178.15 177.88 1nu1 h ASP 332 N 0.11 -0.39 -0.57 1.72 1.82 -1.86 -1.15 116.42 116.09 1nu1 h ASP 332 Ca -0.02 0.01 0.11 0.00 -0.39 0.00 0.00 57.03 56.75 1nu1 h ASP 332 Cb 1.29 0.10 -0.09 0.00 0.68 0.00 0.00 39.33 41.30 1nu1 h ASP 332 CO 0.11 -0.23 0.02 0.44 -1.61 0.00 0.00 179.24 177.97 1nu1 h ASP 333 N -0.56 -0.21 -1.00 2.28 3.45 -1.89 0.74 116.42 119.23 1nu1 h ASP 333 Ca -0.05 0.13 0.09 0.00 0.43 0.00 0.00 57.03 57.63 1nu1 h ASP 333 Cb 0.35 0.23 -0.07 0.00 -0.56 0.00 0.00 39.33 39.28 1nu1 h ASP 333 CO 0.08 -0.08 0.64 -0.03 -1.57 0.00 0.00 179.24 178.28 1nu1 h MET 334 N 0.14 1.08 -0.24 3.56 4.05 -1.26 -0.34 114.93 121.92 1nu1 h MET 334 Ca 0.29 -0.06 -0.11 0.00 -0.28 0.00 0.00 59.70 59.54 1nu1 h MET 334 Cb 0.46 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 1nu1 h MET 334 CO -0.47 0.71 -0.30 1.98 0.23 0.00 0.00 176.91 179.06 1nu1 h MET 335 N 1.11 0.62 -0.17 0.39 1.85 0.98 -2.47 114.93 117.24 1nu1 h MET 335 Ca 0.45 -0.35 0.05 0.00 -0.61 0.00 0.00 59.70 59.24 1nu1 h MET 335 Cb 0.28 0.02 -0.06 0.00 0.43 0.00 0.00 31.60 32.28 1nu1 h MET 335 CO -0.20 0.96 -0.25 0.35 -0.40 0.00 0.00 176.91 177.36 1nu1 h PHE 336 N 0.33 -0.68 0.15 1.39 3.57 0.18 -0.63 116.94 121.25 1nu1 h PHE 336 Ca 0.03 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1nu1 h PHE 336 Cb 0.88 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1nu1 h PHE 336 CO 0.08 -0.33 -0.07 0.28 -2.23 0.00 0.00 178.31 176.04 1nu1 h VAL 337 N -0.30 0.91 -0.83 1.41 2.07 -1.17 -0.96 116.25 117.39 1nu1 h VAL 337 Ca 0.11 -0.26 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1nu1 h VAL 337 Cb 0.47 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 1nu1 h VAL 337 CO -0.34 0.06 0.46 0.25 0.02 0.00 0.00 177.57 178.02 1nu1 h LEU 338 N -0.33 0.64 0.08 2.57 5.85 -1.21 0.11 115.31 123.02 1nu1 h LEU 338 Ca -0.02 0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1nu1 h LEU 338 Cb 0.26 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1nu1 h LEU 338 CO 0.03 0.34 -0.04 1.56 -0.34 0.00 0.00 178.44 180.00 1nu1 h GLN 339 N 0.75 -0.10 -0.37 1.25 4.20 -0.98 -2.21 115.11 117.65 1nu1 h GLN 339 Ca 0.41 0.01 0.08 0.00 0.06 0.00 0.00 58.65 59.21 1nu1 h GLN 339 Cb 0.43 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 1nu1 h GLN 339 CO -0.27 0.31 0.26 0.78 -0.67 0.00 0.00 178.83 179.23 1nu1 h GLY 340 N -0.55 0.18 0.71 3.46 0.00 -0.68 -1.62 103.07 104.58 1nu1 h GLY 340 Ca -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1nu1 h GLY 340 CO 0.02 0.04 -0.03 1.46 0.00 0.00 0.00 176.54 178.03 1nu1 h GLN 341 N 0.14 0.19 -0.50 4.80 1.08 -0.55 -1.38 115.11 118.89 1nu1 h GLN 341 Ca 0.17 -0.08 0.10 0.00 -1.45 0.00 0.00 58.65 57.40 1nu1 h GLN 341 Cb 0.50 -0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 27.83 1nu1 h GLN 341 CO -0.02 0.51 -0.05 -1.49 -0.95 0.00 0.00 178.83 176.83 1nu1 h TRP 342 N -0.14 -0.13 -0.69 2.96 6.55 -0.68 -0.89 115.95 122.93 1nu1 h TRP 342 Ca 0.02 0.04 -0.04 0.00 0.95 0.00 0.00 58.89 59.86 1nu1 h TRP 342 Cb 0.44 0.13 -0.03 0.00 -0.86 0.00 0.00 29.16 28.85 1nu1 h TRP 342 CO 0.06 -0.16 0.27 0.52 -1.05 0.00 0.00 178.44 178.08 1nu1 h MET 343 N 0.06 1.04 -0.59 0.49 2.86 -1.41 -0.71 114.93 116.68 1nu1 h MET 343 Ca 0.25 -0.19 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 1nu1 h MET 343 Cb 0.38 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 31.82 1nu1 h MET 343 CO -0.46 0.87 0.27 -0.09 1.06 0.00 0.00 176.91 178.56 1nu1 h ARG 344 N 0.99 0.48 0.00 1.72 2.43 -0.39 0.90 114.38 120.51 1nu1 h ARG 344 Ca 0.23 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1nu1 h ARG 344 Cb 0.22 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1nu1 h ARG 344 CO -0.02 0.32 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.53 1nu1 h LEU 345 N 0.49 0.00 0.20 3.80 3.38 -0.56 0.87 115.31 123.49 1nu1 h LEU 345 Ca 0.28 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.93 1nu1 h LEU 345 Cb 0.26 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.04 1nu1 h LEU 345 CO -0.23 0.16 -1.40 0.00 0.09 0.00 0.00 178.44 177.05 1nu1 n THR 347 N -3.64 1.58 -2.73 0.00 -2.24 0.25 -4.59 114.28 102.91 1nu1 n THR 347 Ca -0.14 -0.62 -0.05 0.00 -2.27 0.00 0.00 64.05 60.97 1nu1 n THR 347 Cb 1.07 -1.47 0.05 0.00 -2.10 0.00 0.00 70.33 67.88 1nu1 n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1nu1 n SER 348 N -3.30 1.21 -4.70 3.42 3.41 0.30 -5.07 113.62 108.89 1nu1 n SER 348 Ca -0.40 -2.43 -0.42 0.00 -0.26 0.00 0.00 58.87 55.36 1nu1 n SER 348 Cb 1.02 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.55 1nu1 n SER 348 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nu1 s ALA 349 N -3.08 3.82 0.48 7.33 0.00 -1.05 -4.85 121.76 124.41 1nu1 s ALA 349 Ca 0.26 1.48 -0.10 0.00 0.00 0.00 0.00 51.96 53.61 1nu1 s ALA 349 Cb 0.41 -3.74 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1nu1 s ALA 349 CO -0.00 -1.11 0.85 0.95 0.00 0.00 0.00 175.76 176.45 1nu1 s THR 350 N 2.20 4.78 0.33 0.00 -4.23 -1.26 -4.83 115.64 112.63 1nu1 s THR 350 Ca 0.78 0.62 0.02 0.00 -1.18 0.00 0.00 61.69 61.93 1nu1 s THR 350 Cb -0.47 -3.80 0.23 0.00 1.34 0.00 0.00 72.50 69.80 1nu1 s THR 350 CO 0.35 -0.76 1.95 -0.08 -0.54 0.00 0.00 174.62 175.54 1nu1 h GLU 351 N 0.61 0.79 -0.20 3.99 4.57 -1.96 -3.20 114.58 119.17 1nu1 h GLU 351 Ca -0.46 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 57.58 1nu1 h GLU 351 Cb 1.19 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.62 1nu1 h GLU 351 CO 0.62 0.59 -0.08 1.03 -1.18 0.00 0.00 179.01 180.00 1nu1 h SER 352 N 0.79 0.42 -0.35 1.04 0.87 -2.01 -3.18 113.55 111.13 1nu1 h SER 352 Ca 0.20 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.34 1nu1 h SER 352 Cb 0.04 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 1nu1 h SER 352 CO -0.03 0.72 0.14 1.05 -0.53 0.00 0.00 176.83 178.18 1nu1 h GLU 353 N 0.12 0.60 0.00 2.24 4.11 -1.97 -2.08 114.58 117.59 1nu1 h GLU 353 Ca 0.05 -0.09 -0.03 0.00 0.07 0.00 0.00 59.36 59.36 1nu1 h GLU 353 Cb 0.55 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 1nu1 h GLU 353 CO 0.03 0.52 -0.17 0.28 0.07 0.00 0.00 179.01 179.73 1nu1 h VAL 354 N 0.59 1.01 -0.36 -1.06 2.07 -1.60 -0.03 116.25 116.87 1nu1 h VAL 354 Ca 0.14 -0.59 -0.16 0.00 0.82 0.00 0.00 66.70 66.91 1nu1 h VAL 354 Cb 0.16 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 1nu1 h VAL 354 CO -0.01 0.16 -0.40 0.25 0.02 0.00 0.00 177.57 177.59 1nu1 h LEU 355 N 0.00 0.94 -0.14 2.57 5.85 -1.41 -1.08 115.31 122.04 1nu1 h LEU 355 Ca -0.00 -0.44 0.02 0.00 0.84 0.00 0.00 57.88 58.30 1nu1 h LEU 355 Cb 0.32 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1nu1 h LEU 355 CO 0.02 1.22 0.02 -0.09 -0.34 0.00 0.00 178.44 179.27 1nu1 h ARG 356 N 0.71 0.08 -0.63 1.25 2.43 -0.92 0.85 114.38 118.15 1nu1 h ARG 356 Ca 0.05 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1nu1 h ARG 356 Cb 0.99 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1nu1 h ARG 356 CO 0.10 0.05 0.31 0.78 -1.51 0.00 0.00 179.97 179.70 1nu1 h GLY 357 N 0.08 0.94 1.04 2.80 0.00 -1.24 0.43 103.07 107.12 1nu1 h GLY 357 Ca 0.06 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.87 1nu1 h GLY 357 CO -0.09 0.42 -0.03 0.50 0.00 0.00 0.00 176.54 177.33 1nu1 h LYS 358 N 0.88 0.94 -0.24 4.80 1.57 -0.63 -0.09 116.57 123.81 1nu1 h LYS 358 Ca 0.22 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1nu1 h LYS 358 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1nu1 h LYS 358 CO -0.03 0.97 -0.19 -0.91 -0.57 0.00 0.00 179.45 178.73 1nu1 h ASN 359 N 0.81 0.41 0.30 0.86 -0.26 0.16 -0.27 115.58 117.60 1nu1 h ASN 359 Ca 0.14 -0.12 -0.18 0.00 -0.56 0.00 0.00 56.30 55.59 1nu1 h ASN 359 Cb 0.57 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.71 1nu1 h ASN 359 CO 0.03 0.62 -0.72 -0.07 -1.06 0.00 0.00 177.43 176.23 1nu1 h LEU 360 N 0.38 0.42 -0.46 1.61 3.38 0.02 -2.29 115.31 118.38 1nu1 h LEU 360 Ca 0.07 -0.28 -0.17 0.00 0.09 0.00 0.00 57.88 57.59 1nu1 h LEU 360 Cb 0.55 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1nu1 h LEU 360 CO 0.04 1.00 -0.57 0.25 0.09 0.00 0.00 178.44 179.25 1nu1 h LEU 361 N 0.24 0.69 -0.32 1.67 5.85 -0.20 -1.43 115.31 121.80 1nu1 h LEU 361 Ca -0.03 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.24 1nu1 h LEU 361 Cb 1.28 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 1nu1 h LEU 361 CO 0.12 1.11 -0.10 0.03 -0.34 0.00 0.00 178.44 179.25 1nu1 h ARG 362 N 0.47 0.64 -0.54 1.25 3.08 -1.02 0.49 114.38 118.75 1nu1 h ARG 362 Ca 0.00 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1nu1 h ARG 362 Cb 1.13 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.12 1nu1 h ARG 362 CO 0.11 0.83 0.27 -0.91 -1.07 0.00 0.00 179.97 179.21 1nu1 h ASN 363 N 0.42 0.66 -0.02 7.04 2.35 -1.34 0.17 115.58 124.85 1nu1 h ASN 363 Ca 0.08 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1nu1 h ASN 363 Cb 0.61 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1nu1 h ASN 363 CO 0.04 0.55 -0.08 0.00 -1.65 0.00 0.00 177.43 176.29 1nu1 h ALA 364 N 1.56 0.03 0.25 -0.83 0.00 -1.06 -1.36 119.26 117.85 1nu1 h ALA 364 Ca 0.19 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1nu1 h ALA 364 Cb 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1nu1 h ALA 364 CO -0.03 -0.08 -0.49 1.25 0.00 0.00 0.00 179.25 179.90 1nu1 h LEU 365 N -0.53 -1.42 -0.02 0.00 5.85 0.46 0.87 115.31 120.51 1nu1 h LEU 365 Ca -0.00 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1nu1 h LEU 365 Cb 0.74 0.51 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 1nu1 h LEU 365 CO 0.02 -0.58 0.01 0.58 -0.34 0.00 0.00 178.44 178.13 1nu1 h VAL 366 N -0.81 1.10 -0.41 1.05 2.07 -0.81 -2.76 116.25 115.67 1nu1 h VAL 366 Ca -0.02 -0.28 0.10 0.00 0.82 0.00 0.00 66.70 67.33 1nu1 h VAL 366 Cb 0.78 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 1nu1 h VAL 366 CO -0.20 0.08 0.29 -1.28 0.02 0.00 0.00 177.57 176.47 1nu1 h SER 367 N -0.08 0.08 0.66 0.57 0.87 -0.97 -2.36 113.55 112.33 1nu1 h SER 367 Ca 0.01 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.36 1nu1 h SER 367 Cb 0.11 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1nu1 h SER 367 CO -0.00 0.05 -0.94 -0.74 -0.53 0.00 0.00 176.83 174.67 1nu1 h HIS 368 N 0.09 0.26 -0.93 2.24 6.17 -0.54 -3.30 115.15 119.16 1nu1 h HIS 368 Ca 0.19 -0.16 -0.67 0.00 0.71 0.00 0.00 60.37 60.44 1nu1 h HIS 368 Cb 0.65 -0.02 -0.11 0.00 2.52 0.00 0.00 27.41 30.45 1nu1 h HIS 368 CO -0.00 1.01 2.21 1.28 0.71 0.00 0.00 177.93 183.14 1nu1 n LEU 369 N -3.60 7.81 -3.98 0.26 4.77 -0.89 -4.80 117.00 116.59 1nu1 n LEU 369 Ca -0.04 -4.62 -0.31 0.00 -0.03 0.00 0.00 56.01 51.01 1nu1 n LEU 369 Cb 0.85 -1.37 -0.15 0.00 -2.33 0.00 0.00 43.42 40.42 1nu1 n LEU 369 CO 0.48 2.00 -0.29 -0.62 -1.33 0.00 0.00 177.39 177.63 1nu1 s ASP 370 N 0.69 4.59 0.00 -1.43 3.68 -1.24 -4.87 116.67 118.09 1nu1 s ASP 370 Ca 0.58 -2.33 0.00 0.00 2.13 0.00 0.00 52.55 52.93 1nu1 s ASP 370 Cb 0.22 -1.57 0.00 0.00 -1.45 0.00 0.00 42.92 40.12 1nu1 s ASP 370 CO -0.11 -0.35 0.00 0.61 0.13 0.00 0.00 175.17 175.46 1nu1 n GLY 371 N 4.02 3.67 0.21 2.66 0.00 -1.26 -4.83 105.19 109.65 1nu1 n GLY 371 Ca 0.04 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.48 1nu1 n GLY 371 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1nu1 h THR 372 N 0.17 0.00 -0.77 2.61 1.35 -1.92 -2.87 112.91 111.48 1nu1 h THR 372 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.93 1nu1 h THR 372 Cb 0.00 0.00 -0.09 0.00 -1.73 0.00 0.00 68.15 66.33 1nu1 h THR 372 CO 0.00 0.00 -0.46 0.41 -0.25 0.00 0.00 175.52 175.22 1nu1 n THR 373 N -4.06 -0.52 -0.10 6.82 -1.04 -1.26 0.33 114.28 114.44 1nu1 n THR 373 Ca 0.00 2.21 0.09 0.00 -2.04 0.00 0.00 64.05 64.31 1nu1 n THR 373 Cb 0.13 -2.76 0.44 0.00 -1.82 0.00 0.00 70.33 66.33 1nu1 n THR 373 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1nu1 h PRO 374 N 0.00 0.52 -0.06 -2.82 0.11 -1.86 0.24 132.00 128.13 1nu1 h PRO 374 Ca 0.12 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.08 1nu1 h PRO 374 Cb 0.32 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.32 1nu1 h PRO 374 CO -0.73 0.34 -0.43 0.28 -0.21 0.00 0.00 178.00 177.25 1nu1 h VAL 375 N 0.54 1.41 -0.85 3.15 2.07 -0.91 0.22 116.25 121.88 1nu1 h VAL 375 Ca 0.27 -1.84 0.02 0.00 0.82 0.00 0.00 66.70 65.97 1nu1 h VAL 375 Cb 0.38 2.36 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 1nu1 h VAL 375 CO -0.08 0.54 0.55 0.00 0.02 0.00 0.00 177.57 178.60 1nu1 h GLU 377 N 1.11 0.00 0.00 0.00 4.22 -0.51 -2.28 114.58 117.12 1nu1 h GLU 377 Ca 0.32 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.54 1nu1 h GLU 377 Cb -0.07 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1nu1 h GLU 377 CO -0.09 0.00 -1.38 0.22 -2.18 0.00 0.00 179.01 175.58 1nu1 h ASP 378 N 0.00 0.00 0.77 1.04 3.58 0.19 -3.04 116.42 118.97 1nu1 h ASP 378 Ca 0.00 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1nu1 h ASP 378 Cb 0.52 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.58 1nu1 h ASP 378 CO 0.00 0.83 -0.37 0.40 -2.88 0.00 0.00 179.24 177.22 1nu1 h ILE 379 N 0.00 0.04 -0.00 2.25 2.04 -0.49 -0.27 117.51 121.08 1nu1 h ILE 379 Ca -0.17 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.47 1nu1 h ILE 379 Cb 1.79 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1nu1 h ILE 379 CO 0.08 0.00 -0.12 1.23 0.00 0.00 0.00 178.15 179.34 1nu1 h GLY 380 N -1.26 -1.35 -0.15 5.37 0.00 -1.57 0.22 103.07 104.34 1nu1 h GLY 380 Ca -0.11 0.62 0.10 0.00 0.00 0.00 0.00 47.33 47.94 1nu1 h GLY 380 CO 0.17 -0.47 -0.23 -0.09 0.00 0.00 0.00 176.54 175.92 1nu1 h ARG 381 N -0.15 -0.12 -0.58 4.80 2.43 -1.66 0.17 114.38 119.27 1nu1 h ARG 381 Ca 0.00 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.30 1nu1 h ARG 381 Cb 0.16 0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.64 1nu1 h ARG 381 CO -0.08 -0.08 -0.05 0.77 -1.51 0.00 0.00 179.97 179.01 1nu1 h SER 382 N -0.13 -0.36 -0.91 -3.80 0.02 -0.14 0.18 113.55 108.42 1nu1 h SER 382 Ca 0.22 0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 1nu1 h SER 382 Cb 0.48 0.29 -0.04 0.00 0.14 0.00 0.00 62.40 63.27 1nu1 h SER 382 CO -0.56 -0.14 0.55 -0.07 -1.14 0.00 0.00 176.83 175.47 1nu1 h LEU 383 N 0.07 1.09 -1.08 5.07 3.38 0.13 0.35 115.31 124.32 1nu1 h LEU 383 Ca 0.30 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.11 1nu1 h LEU 383 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1nu1 h LEU 383 CO -0.53 0.84 -0.42 -0.07 0.09 0.00 0.00 178.44 178.35 1nu1 h LEU 384 N 1.26 0.08 0.00 1.67 3.38 0.98 -2.99 115.31 119.68 1nu1 h LEU 384 Ca 0.33 -0.03 -0.22 0.00 0.09 0.00 0.00 57.88 58.04 1nu1 h LEU 384 Cb -0.05 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1nu1 h LEU 384 CO -0.06 0.49 -1.84 0.35 0.09 0.00 0.00 178.44 177.47 1nu1 n THR 385 N -4.03 0.85 0.20 0.22 -2.24 0.06 -4.67 114.28 104.67 1nu1 n THR 385 Ca -0.02 -0.39 0.11 0.00 -2.27 0.00 0.00 64.05 61.48 1nu1 n THR 385 Cb 0.46 -0.91 -0.13 0.00 -2.10 0.00 0.00 70.33 67.65 1nu1 n THR 385 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1nu1 n TYR 386 N -2.76 0.11 0.00 4.78 0.53 0.12 -4.62 117.16 115.31 1nu1 n TYR 386 Ca -0.24 0.03 0.00 0.00 -1.02 0.00 0.00 57.90 56.67 1nu1 n TYR 386 Cb 0.82 -0.46 0.00 0.00 -1.03 0.00 0.00 39.34 38.67 1nu1 n TYR 386 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1nu1 n GLY 387 N 1.30 2.57 0.00 2.72 0.00 -1.13 -4.92 105.19 105.74 1nu1 n GLY 387 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1nu1 n GLY 387 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nu1 n ARG 388 N 0.00 3.44 -3.76 1.61 1.74 -1.26 -4.82 116.66 113.61 1nu1 n ARG 388 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 1nu1 n ARG 388 Cb 0.00 0.00 -0.16 0.00 -1.02 0.00 0.00 32.46 31.28 1nu1 n ARG 388 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1nu1 s ARG 389 N 1.50 0.75 -0.38 5.56 6.06 -1.26 -2.79 118.95 128.39 1nu1 s ARG 389 Ca 0.00 -0.43 -0.29 0.00 -2.50 0.00 0.00 55.73 52.51 1nu1 s ARG 389 Cb 0.00 -2.07 0.02 0.00 0.06 0.00 0.00 34.95 32.97 1nu1 s ARG 389 CO 0.00 -0.61 1.11 0.42 -2.50 0.00 0.00 175.30 173.72 1nu1 s ILE 390 N 1.82 4.39 0.34 4.11 1.01 -1.26 -4.98 121.20 126.64 1nu1 s ILE 390 Ca -0.01 1.54 -0.29 0.00 0.00 0.00 0.00 60.65 61.90 1nu1 s ILE 390 Cb -0.17 -4.48 -0.10 0.00 0.01 0.00 0.00 42.46 37.72 1nu1 s ILE 390 CO -0.08 -0.67 1.36 -2.84 0.00 0.00 0.00 174.94 172.71 1nu1 s PRO 391 N 3.96 4.28 0.20 2.79 0.02 -1.26 -4.83 135.00 140.17 1nu1 s PRO 391 Ca 0.47 2.32 -0.19 0.00 0.02 0.00 0.00 61.00 63.61 1nu1 s PRO 391 Cb -0.10 -3.04 0.15 0.00 0.02 0.00 0.00 34.50 31.52 1nu1 s PRO 391 CO 0.22 -0.29 1.43 1.28 -0.33 0.00 0.00 177.00 179.30 1nu1 n LEU 392 N 0.75 -0.70 -0.32 -5.54 4.77 -1.26 0.61 117.00 115.31 1nu1 n LEU 392 Ca 0.00 1.62 0.17 0.00 -0.03 0.00 0.00 56.01 57.77 1nu1 n LEU 392 Cb 0.41 -0.33 0.35 0.00 -2.33 0.00 0.00 43.42 41.52 1nu1 n LEU 392 CO 0.61 -1.42 0.92 0.00 -1.33 0.00 0.00 177.39 176.17 1nu1 h ALA 393 N 1.06 1.43 -0.27 -1.18 0.00 -1.91 0.53 119.26 118.92 1nu1 h ALA 393 Ca 0.28 0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 1nu1 h ALA 393 Cb 0.51 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1nu1 h ALA 393 CO -0.90 -0.60 0.05 1.49 0.00 0.00 0.00 179.25 179.29 1nu1 h GLU 394 N 0.10 0.44 -0.83 0.00 4.81 -0.19 0.15 114.58 119.06 1nu1 h GLU 394 Ca 0.63 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.77 1nu1 h GLU 394 Cb 1.39 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 1nu1 h GLU 394 CO -0.78 0.55 0.55 -1.49 -0.73 0.00 0.00 179.01 177.11 1nu1 h TRP 395 N 0.25 1.02 -0.01 0.92 4.06 0.30 0.60 115.95 123.10 1nu1 h TRP 395 Ca 0.08 0.02 -0.00 0.00 2.06 0.00 0.00 58.89 61.05 1nu1 h TRP 395 Cb 0.32 -0.34 -0.00 0.00 -1.00 0.00 0.00 29.16 28.13 1nu1 h TRP 395 CO 0.02 0.62 0.00 1.49 -3.56 0.00 0.00 178.44 177.01 1nu1 h GLU 396 N 1.08 0.02 -0.71 0.49 4.57 -0.63 0.31 114.58 119.70 1nu1 h GLU 396 Ca 0.31 -0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.64 1nu1 h GLU 396 Cb -0.06 -0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 28.41 1nu1 h GLU 396 CO -0.08 0.20 0.12 1.03 -1.18 0.00 0.00 179.01 179.10 1nu1 h SER 397 N -0.16 -0.10 0.17 1.04 0.87 0.46 0.32 113.55 116.15 1nu1 h SER 397 Ca 0.00 0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.71 1nu1 h SER 397 Cb 0.19 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1nu1 h SER 397 CO -0.00 -0.08 -0.08 -0.09 -0.53 0.00 0.00 176.83 176.05 1nu1 h ARG 398 N 0.21 -0.22 -0.45 2.24 2.43 0.93 -2.60 114.38 116.92 1nu1 h ARG 398 Ca 0.40 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.66 1nu1 h ARG 398 Cb 0.68 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.21 1nu1 h ARG 398 CO -0.54 0.06 0.05 0.82 -1.51 0.00 0.00 179.97 178.86 1nu1 h ILE 399 N -0.51 0.71 -0.50 1.20 2.04 0.16 -2.92 117.51 117.69 1nu1 h ILE 399 Ca -0.02 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 65.88 1nu1 h ILE 399 Cb 0.39 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 36.90 1nu1 h ILE 399 CO 0.04 0.03 -0.04 0.00 0.00 0.00 0.00 178.15 178.18 1nu1 h ALA 400 N 1.37 0.43 -0.56 1.87 0.00 -0.22 -0.63 119.26 121.51 1nu1 h ALA 400 Ca 0.23 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.39 1nu1 h ALA 400 Cb 0.31 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 18.29 1nu1 h ALA 400 CO -0.33 -0.41 -0.42 0.93 0.00 0.00 0.00 179.25 179.02 1nu1 h GLU 401 N 0.07 -0.22 -6.21 0.00 5.08 -1.27 -3.41 114.58 108.63 1nu1 h GLU 401 Ca 0.25 0.01 -0.70 0.00 -1.00 0.00 0.00 59.36 57.92 1nu1 h GLU 401 Cb 0.38 0.05 0.06 0.00 0.50 0.00 0.00 28.75 29.74 1nu1 h GLU 401 CO -0.45 -0.15 0.33 0.28 -1.00 0.00 0.00 179.01 178.03 1nu1 n VAL 402 N -5.41 0.10 -4.18 3.13 0.31 -0.25 -5.00 118.33 107.03 1nu1 n VAL 402 Ca 0.02 -0.02 -0.12 0.00 -0.01 0.00 0.00 64.34 64.21 1nu1 n VAL 402 Cb 0.35 -0.62 -0.05 0.00 -0.91 0.00 0.00 33.84 32.61 1nu1 n VAL 402 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1nu1 n ASP 403 N 2.24 -0.37 -0.09 4.52 5.75 -1.26 -5.01 116.55 122.33 1nu1 n ASP 403 Ca 0.18 -2.32 -0.04 0.00 -0.01 0.00 0.00 54.79 52.60 1nu1 n ASP 403 Cb 0.17 0.99 -0.03 0.00 -1.03 0.00 0.00 41.12 41.22 1nu1 n ASP 403 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1nu1 h ALA 404 N 1.63 -0.35 -0.78 2.12 0.00 -1.87 -0.94 119.26 119.07 1nu1 h ALA 404 Ca -0.14 0.02 0.14 0.00 0.00 0.00 0.00 54.91 54.92 1nu1 h ALA 404 Cb 0.72 0.97 -0.14 0.00 0.00 0.00 0.00 17.79 19.34 1nu1 h ALA 404 CO 0.21 -0.46 -0.31 -0.09 0.00 0.00 0.00 179.25 178.59 1nu1 h ARG 405 N -0.08 -0.06 -0.84 0.00 2.43 -1.96 0.65 114.38 114.52 1nu1 h ARG 405 Ca 0.04 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.41 1nu1 h ARG 405 Cb 0.18 0.01 -0.12 0.00 -0.42 0.00 0.00 29.97 29.62 1nu1 h ARG 405 CO -0.26 -0.04 0.31 0.28 -1.51 0.00 0.00 179.97 178.75 1nu1 h VAL 406 N -0.07 0.49 0.21 0.20 2.07 -1.60 0.37 116.25 117.92 1nu1 h VAL 406 Ca 0.31 -0.12 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1nu1 h VAL 406 Cb 0.58 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1nu1 h VAL 406 CO -0.82 0.06 -0.10 0.58 0.02 0.00 0.00 177.57 177.31 1nu1 h VAL 407 N 0.35 0.00 -0.44 2.57 2.07 0.11 0.31 116.25 121.22 1nu1 h VAL 407 Ca 0.51 -0.09 0.13 0.00 0.82 0.00 0.00 66.70 68.07 1nu1 h VAL 407 Cb 0.92 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1nu1 h VAL 407 CO -0.53 0.00 0.60 0.08 0.02 0.00 0.00 177.57 177.74 1nu1 h ARG 408 N -0.36 0.00 0.05 1.57 0.11 -0.47 0.23 114.38 115.51 1nu1 h ARG 408 Ca -0.03 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.05 1nu1 h ARG 408 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1nu1 h ARG 408 CO 0.05 0.00 -0.02 1.49 0.10 0.00 0.00 179.97 181.58 1nu1 h GLU 409 N 0.00 -0.06 -0.96 0.08 4.81 -0.14 -2.15 114.58 116.16 1nu1 h GLU 409 Ca 0.21 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.59 1nu1 h GLU 409 Cb 1.41 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.71 1nu1 h GLU 409 CO -0.00 -0.04 0.58 0.28 -0.73 0.00 0.00 179.01 179.09 1nu1 h VAL 410 N -0.19 0.83 0.11 0.32 2.07 0.28 0.43 116.25 120.10 1nu1 h VAL 410 Ca -0.01 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 1nu1 h VAL 410 Cb 0.05 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1nu1 h VAL 410 CO 0.01 0.15 -0.05 0.00 0.02 0.00 0.00 177.57 177.70 1nu1 h SER 412 N -0.19 0.75 -0.48 0.00 0.02 -0.29 0.91 113.55 114.27 1nu1 h SER 412 Ca -0.01 0.05 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1nu1 h SER 412 Cb 0.15 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1nu1 h SER 412 CO 0.02 0.42 0.25 0.50 -1.14 0.00 0.00 176.83 176.88 1nu1 h LYS 413 N 0.86 0.47 0.06 3.45 3.64 -0.73 -1.69 116.57 122.63 1nu1 h LYS 413 Ca 0.43 -0.03 -0.32 0.00 -1.27 0.00 0.00 60.65 59.46 1nu1 h LYS 413 Cb 0.40 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1nu1 h LYS 413 CO -0.25 0.31 -1.81 1.88 -2.27 0.00 0.00 179.45 177.31 1nu1 h TYR 414 N 0.49 0.24 0.00 1.91 -1.99 -0.44 -3.42 116.97 113.75 1nu1 h TYR 414 Ca 0.20 -0.17 -0.34 0.00 2.00 0.00 0.00 58.73 60.42 1nu1 h TYR 414 Cb 0.10 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 38.76 1nu1 h TYR 414 CO -0.10 1.36 -2.29 1.19 -0.00 0.00 0.00 178.16 178.32 1nu1 n PHE 415 N -3.26 0.00 -2.18 4.88 3.01 0.31 -4.82 117.46 115.39 1nu1 n PHE 415 Ca -0.23 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.81 1nu1 n PHE 415 Cb 1.05 -0.92 -0.03 0.00 -0.01 0.00 0.00 39.48 39.57 1nu1 n PHE 415 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 1nu1 s TYR 416 N -2.45 2.68 -1.30 1.38 5.04 -0.64 -3.65 117.35 118.40 1nu1 s TYR 416 Ca -0.11 0.69 -0.11 0.00 -2.44 0.00 0.00 57.07 55.11 1nu1 s TYR 416 Cb 0.06 -3.72 0.00 0.00 0.35 0.00 0.00 41.96 38.65 1nu1 s TYR 416 CO 0.75 -2.73 0.55 -3.47 -1.34 0.00 0.00 175.55 169.31 1nu1 n ASP 417 N 5.77 -2.30 -4.30 4.32 2.03 0.55 -4.93 116.55 117.69 1nu1 n ASP 417 Ca 0.14 -1.06 -0.25 0.00 0.52 0.00 0.00 54.79 54.14 1nu1 n ASP 417 Cb 0.43 -2.91 -0.13 0.00 -0.72 0.00 0.00 41.12 37.80 1nu1 n ASP 417 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 1nu1 s GLN 418 N -6.52 1.16 0.03 -0.67 -1.52 -1.24 -5.05 119.66 105.85 1nu1 s GLN 418 Ca 0.21 -1.19 -0.30 0.00 -1.95 0.00 0.00 55.36 52.13 1nu1 s GLN 418 Cb -0.09 -1.45 -0.04 0.00 -0.22 0.00 0.00 33.01 31.21 1nu1 s GLN 418 CO 0.90 0.34 1.03 0.00 -0.25 0.00 0.00 175.29 177.30 1nu1 s PRO 420 N 0.89 3.34 -0.35 0.00 0.02 -1.26 -4.72 135.00 132.92 1nu1 s PRO 420 Ca 0.53 0.30 -0.10 0.00 0.02 0.00 0.00 61.00 61.74 1nu1 s PRO 420 Cb -0.23 -2.25 0.02 0.00 0.02 0.00 0.00 34.50 32.05 1nu1 s PRO 420 CO 0.29 -0.49 0.19 0.00 -0.33 0.00 0.00 177.00 176.66 1nu1 s ALA 421 N -2.96 3.27 -0.13 -1.55 0.00 0.46 -2.96 121.76 117.90 1nu1 s ALA 421 Ca 0.52 -1.60 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1nu1 s ALA 421 Cb -0.11 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.47 1nu1 s ALA 421 CO 0.48 -1.21 0.04 0.08 0.00 0.00 0.00 175.76 175.15 1nu1 s VAL 422 N 1.57 4.65 -0.08 0.00 1.01 0.94 -1.62 120.40 126.86 1nu1 s VAL 422 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1nu1 s VAL 422 Cb -0.18 -3.02 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1nu1 s VAL 422 CO 0.06 0.55 0.01 0.00 0.00 0.00 0.00 175.10 175.73 1nu1 s ALA 423 N -0.41 0.68 0.02 5.51 0.00 -0.86 -0.70 121.76 125.99 1nu1 s ALA 423 Ca 0.09 -0.15 0.06 0.00 0.00 0.00 0.00 51.96 51.95 1nu1 s ALA 423 Cb -0.12 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 1nu1 s ALA 423 CO 0.02 -0.55 -0.18 0.20 0.00 0.00 0.00 175.76 175.25 1nu1 s GLY 424 N 1.99 0.94 -0.00 0.00 0.00 0.13 0.12 107.32 110.49 1nu1 s GLY 424 Ca 0.04 -0.88 -0.07 0.00 0.00 0.00 0.00 44.72 43.81 1nu1 s GLY 424 CO -0.05 -0.79 0.14 -0.12 0.00 0.00 0.00 173.10 172.28 1nu1 s PHE 425 N -0.63 0.02 0.00 1.90 5.99 0.07 -0.90 117.98 124.43 1nu1 s PHE 425 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 56.93 56.92 1nu1 s PHE 425 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 43.02 42.91 1nu1 s PHE 425 CO 0.01 -0.26 0.00 0.41 -0.00 0.00 0.00 175.22 175.37 1nu1 n GLY 426 N 1.64 -0.26 2.62 13.12 0.00 -1.18 -0.97 105.19 120.16 1nu1 n GLY 426 Ca -0.21 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.50 1nu1 n GLY 426 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1nu1 n PRO 427 N 0.00 3.92 -0.04 1.61 -0.02 -1.26 -0.19 135.00 139.03 1nu1 n PRO 427 Ca 0.00 -3.19 -0.00 0.00 -2.02 0.00 0.00 63.50 58.29 1nu1 n PRO 427 Cb 0.00 -2.84 0.01 0.00 -0.02 0.00 0.00 33.50 30.66 1nu1 n PRO 427 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1nu1 n ILE 428 N 2.96 0.48 -0.09 4.25 -5.35 -1.26 -4.34 119.36 116.01 1nu1 n ILE 428 Ca 0.56 -0.06 0.25 0.00 -0.27 0.00 0.00 62.75 63.23 1nu1 n ILE 428 Cb 0.30 -0.68 0.72 0.00 -1.74 0.00 0.00 39.64 38.24 1nu1 n ILE 428 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1nu1 h GLU 429 N 0.11 0.00 -0.00 6.28 4.81 -1.89 -1.77 114.58 122.11 1nu1 h GLU 429 Ca 0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1nu1 h GLU 429 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1nu1 h GLU 429 CO 0.03 0.00 -0.76 0.94 -0.73 0.00 0.00 179.01 178.48 1nu1 n GLN 430 N -4.18 0.90 -1.68 1.92 7.27 -1.26 -4.93 117.38 115.42 1nu1 n GLN 430 Ca 0.14 -0.27 -0.54 0.00 0.07 0.00 0.00 57.00 56.41 1nu1 n GLN 430 Cb 0.82 -1.40 -0.06 0.00 2.41 0.00 0.00 30.24 32.01 1nu1 n GLN 430 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1nu1 n LEU 431 N -1.05 2.49 -4.55 1.69 7.94 -0.67 -4.38 117.00 118.47 1nu1 n LEU 431 Ca 0.05 1.06 -0.39 0.00 -1.11 0.00 0.00 56.01 55.63 1nu1 n LEU 431 Cb 0.33 -1.22 0.04 0.00 0.53 0.00 0.00 43.42 43.10 1nu1 n LEU 431 CO 0.35 -0.48 0.35 -2.65 -1.11 0.00 0.00 177.39 173.85 1nu1 n PRO 432 N 4.88 0.81 -1.59 1.96 -0.02 -1.26 -4.95 135.00 134.83 1nu1 n PRO 432 Ca 0.23 0.31 -0.36 0.00 -2.02 0.00 0.00 63.50 61.66 1nu1 n PRO 432 Cb 0.19 -1.93 0.08 0.00 -0.02 0.00 0.00 33.50 31.81 1nu1 n PRO 432 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1nu1 n ASP 433 N 0.04 1.75 -0.13 2.55 -0.08 -1.26 -4.69 116.55 114.73 1nu1 n ASP 433 Ca 0.12 0.77 0.04 0.00 -1.51 0.00 0.00 54.79 54.22 1nu1 n ASP 433 Cb 0.45 -1.54 0.36 0.00 2.34 0.00 0.00 41.12 42.74 1nu1 n ASP 433 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1nu1 h TYR 434 N 0.21 0.72 -0.39 -0.67 3.20 -1.99 -0.98 116.97 117.06 1nu1 h TYR 434 Ca -0.50 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.38 1nu1 h TYR 434 Cb 1.33 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 1nu1 h TYR 434 CO 0.42 0.42 0.21 -0.91 -1.64 0.00 0.00 178.16 176.65 1nu1 h ASN 435 N 0.74 0.49 -0.58 -2.11 2.35 -1.98 -0.15 115.58 114.34 1nu1 h ASN 435 Ca 0.25 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1nu1 h ASN 435 Cb 0.08 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1nu1 h ASN 435 CO -0.07 0.45 0.37 0.03 -1.65 0.00 0.00 177.43 176.56 1nu1 h ARG 436 N 0.49 0.73 -0.19 0.81 3.08 -1.57 0.73 114.38 118.46 1nu1 h ARG 436 Ca 0.14 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1nu1 h ARG 436 Cb 0.07 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1nu1 h ARG 436 CO -0.02 0.48 -0.06 0.82 -1.07 0.00 0.00 179.97 180.12 1nu1 h ILE 437 N 0.75 1.16 -0.03 2.04 2.04 -1.05 -0.34 117.51 122.08 1nu1 h ILE 437 Ca 0.22 -0.66 -0.24 0.00 1.00 0.00 0.00 64.86 65.19 1nu1 h ILE 437 Cb -0.04 1.08 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1nu1 h ILE 437 CO -0.07 0.21 -0.93 -0.09 0.00 0.00 0.00 178.15 177.27 1nu1 h ARG 438 N 0.28 0.58 0.00 2.37 9.65 0.11 -2.53 114.38 124.85 1nu1 h ARG 438 Ca 0.06 -0.58 -0.06 0.00 -1.10 0.00 0.00 59.98 58.31 1nu1 h ARG 438 Cb 0.29 0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 1nu1 h ARG 438 CO 0.01 1.20 -0.26 0.77 2.80 0.00 0.00 179.97 184.48 1nu1 h SER 439 N 0.35 0.00 0.11 -3.80 0.02 0.99 -0.89 113.55 110.33 1nu1 h SER 439 Ca -0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1nu1 h SER 439 Cb 1.56 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.10 1nu1 h SER 439 CO 0.17 0.26 0.00 0.61 -1.14 0.00 0.00 176.83 176.74 1nu1 n GLY 440 N -0.43 -0.89 1.24 -3.77 0.00 -0.20 -3.28 105.19 97.86 1nu1 n GLY 440 Ca -0.02 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.88 1nu1 n GLY 440 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nu1 n MET 441 N -1.06 2.96 -3.60 1.61 2.00 -0.34 -4.76 117.12 113.93 1nu1 n MET 441 Ca 0.18 -1.62 -0.05 0.00 0.00 0.00 0.00 57.70 56.21 1nu1 n MET 441 Cb 0.12 -1.89 -0.03 0.00 0.00 0.00 0.00 33.22 31.42 1nu1 n MET 441 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1nu1 s PHE 442 N -1.90 -0.15 0.07 2.03 -0.71 -1.21 0.20 117.98 116.32 1nu1 s PHE 442 Ca 0.28 0.16 0.05 0.00 -1.04 0.00 0.00 56.93 56.39 1nu1 s PHE 442 Cb 0.22 0.50 -0.03 0.00 -1.21 0.00 0.00 43.02 42.50 1nu1 s PHE 442 CO 0.08 -0.20 -0.14 1.67 -1.34 0.00 0.00 175.22 175.29 1nu1 s TRP 443 N -1.93 1.24 0.44 3.49 -2.14 -1.26 -4.93 118.94 113.85 1nu1 s TRP 443 Ca 0.07 -0.45 0.13 0.00 2.66 0.00 0.00 56.10 58.52 1nu1 s TRP 443 Cb -0.01 -0.70 0.97 0.00 -3.10 0.00 0.00 33.47 30.63 1nu1 s TRP 443 CO -0.05 0.06 2.00 -0.07 -2.66 0.00 0.00 176.95 176.24 1nu1 h LEU 444 N 4.36 0.10 -0.10 -4.66 3.38 -2.02 -3.28 115.31 113.09 1nu1 h LEU 444 Ca -0.41 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.56 1nu1 h LEU 444 Cb 1.19 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1nu1 h LEU 444 CO 0.41 0.22 -0.16 0.03 0.09 0.00 0.00 178.44 179.02 1nu1 h ARG 445 N 0.11 -0.13 -0.00 1.13 3.08 -2.05 -3.57 114.38 112.95 1nu1 h ARG 445 Ca 0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1nu1 h ARG 445 Cb 0.25 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.33 1nu1 h ARG 445 CO 0.01 -0.08 0.00 0.34 -1.07 0.00 0.00 179.97 179.17