#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l h PRO 2 N 0.00 0.25 -6.69 1.61 0.13 -2.11 -3.44 132.00 121.75 1g9l h PRO 2 Ca 0.00 -0.05 -0.47 0.00 -0.87 0.00 0.00 66.00 64.60 1g9l h PRO 2 Cb 0.00 -0.04 0.04 0.00 0.13 0.00 0.00 31.00 31.13 1g9l h PRO 2 CO 0.00 0.37 -0.09 -0.51 -0.23 0.00 0.00 178.00 177.54 1g9l s LEU 3 N -8.80 3.16 -0.10 1.56 1.43 -1.26 -5.09 118.68 109.58 1g9l s LEU 3 Ca -0.06 -0.70 -0.11 0.00 -1.03 0.00 0.00 54.13 52.23 1g9l s LEU 3 Cb 0.15 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1g9l s LEU 3 CO 0.73 -1.34 -0.22 0.61 0.23 0.00 0.00 176.35 176.36 1g9l n GLY 4 N -2.28 -0.43 3.85 -3.19 0.00 -1.26 -5.04 105.19 96.84 1g9l n GLY 4 Ca 0.14 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.69 1g9l n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1g9l s SER 5 N -5.55 5.83 -0.33 1.61 0.15 -1.26 -5.04 113.70 109.11 1g9l s SER 5 Ca -0.18 0.00 0.17 0.00 0.70 0.00 0.00 55.95 56.63 1g9l s SER 5 Cb 0.03 -1.63 0.45 0.00 -1.71 0.00 0.00 66.02 63.16 1g9l s SER 5 CO 0.27 0.08 1.12 0.00 1.20 0.00 0.00 173.24 175.91 1g9l n ALA 6 N -0.30 2.75 -1.34 5.45 0.00 -1.26 -4.59 120.51 121.22 1g9l n ALA 6 Ca -0.08 -2.49 0.00 0.00 0.00 0.00 0.00 53.44 50.87 1g9l n ALA 6 Cb 0.54 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 19.06 1g9l n ALA 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 7 N -0.41 0.00 -0.59 0.00 0.00 -1.26 -4.93 120.51 113.31 1g9l n ALA 7 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1g9l n ALA 7 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.28 1g9l n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 8 N 0.00 0.00 -0.96 0.00 0.00 -1.26 -5.09 120.51 113.20 1g9l n ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1g9l n ALA 8 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 1g9l n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 9 N 0.00 0.00 -1.63 0.00 0.00 -1.26 -4.90 120.51 112.72 1g9l n ALA 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1g9l n ALA 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1g9l n ALA 9 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1g9l n THR 10 N 0.00 -8.61 -1.88 0.00 -1.04 -1.26 -4.84 114.28 96.65 1g9l n THR 10 Ca 0.00 2.47 -0.29 0.00 -2.04 0.00 0.00 64.05 64.19 1g9l n THR 10 Cb 0.00 -4.06 0.10 0.00 -1.82 0.00 0.00 70.33 64.55 1g9l n THR 10 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1g9l s PRO 11 N -1.70 1.76 -0.13 -2.82 0.04 -1.26 -5.08 135.00 125.80 1g9l s PRO 11 Ca 0.00 0.07 -0.20 0.00 0.04 0.00 0.00 61.00 60.91 1g9l s PRO 11 Cb 0.00 -1.93 -0.26 0.00 0.04 0.00 0.00 34.50 32.35 1g9l s PRO 11 CO 0.00 -1.73 0.55 0.00 0.04 0.00 0.00 177.00 175.86 1g9l h ALA 12 N -1.16 0.14 -2.21 8.56 0.00 -1.95 -3.47 119.26 119.17 1g9l h ALA 12 Ca -0.46 -0.97 -0.46 0.00 0.00 0.00 0.00 54.91 53.02 1g9l h ALA 12 Cb 1.32 0.41 0.13 0.00 0.00 0.00 0.00 17.79 19.65 1g9l h ALA 12 CO 0.63 0.61 0.39 0.14 0.00 0.00 0.00 179.25 181.01 1g9l s VAL 13 N -2.40 2.03 -1.00 0.00 -7.23 -1.26 -5.01 120.40 105.53 1g9l s VAL 13 Ca -0.21 -0.05 -0.12 0.00 -1.81 0.00 0.00 61.98 59.79 1g9l s VAL 13 Cb 0.03 -2.97 0.24 0.00 0.56 0.00 0.00 36.38 34.24 1g9l s VAL 13 CO 0.72 0.00 1.00 -0.13 -0.31 0.00 0.00 175.10 176.38 1g9l s ARG 14 N -5.70 3.93 -0.19 4.82 0.52 -1.26 -4.78 118.95 116.29 1g9l s ARG 14 Ca 0.69 -2.81 0.16 0.00 -0.52 0.00 0.00 55.73 53.24 1g9l s ARG 14 Cb -0.07 -4.56 0.51 0.00 0.52 0.00 0.00 34.95 31.36 1g9l s ARG 14 CO 0.51 -1.32 1.41 0.25 0.02 0.00 0.00 175.30 176.17 1g9l n THR 15 N 3.46 2.30 -0.03 0.02 -2.24 -1.26 -4.57 114.28 111.97 1g9l n THR 15 Ca 0.21 -2.02 -0.08 0.00 -2.27 0.00 0.00 64.05 59.89 1g9l n THR 15 Cb 0.43 -0.27 -0.14 0.00 -2.10 0.00 0.00 70.33 68.25 1g9l n THR 15 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1g9l n VAL 16 N -0.67 1.51 -0.59 2.28 0.24 -1.26 -4.97 118.33 114.88 1g9l n VAL 16 Ca 0.23 -0.80 -0.30 0.00 -2.04 0.00 0.00 64.34 61.43 1g9l n VAL 16 Cb 0.90 -0.89 0.27 0.00 -1.47 0.00 0.00 33.84 32.65 1g9l n VAL 16 CO 0.00 0.00 0.00 -2.84 -2.14 0.00 0.00 176.83 171.85 1g9l s PRO 17 N -2.62 -2.18 0.00 7.34 0.02 -1.26 -5.04 135.00 131.26 1g9l s PRO 17 Ca -0.06 0.20 0.00 0.00 0.02 0.00 0.00 61.00 61.16 1g9l s PRO 17 Cb 0.08 -1.46 0.00 0.00 0.02 0.00 0.00 34.50 33.14 1g9l s PRO 17 CO 0.83 -4.40 0.00 1.04 -0.33 0.00 0.00 177.00 174.14 1g9l n GLN 18 N -5.30 -0.25 -1.76 5.54 6.02 -1.26 -4.88 117.38 115.49 1g9l n GLN 18 Ca 0.11 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 1g9l n GLN 18 Cb 0.59 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.82 1g9l n GLN 18 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1g9l s TYR 19 N -0.88 1.38 -0.42 1.08 2.02 -1.26 -4.94 117.35 114.34 1g9l s TYR 19 Ca 0.00 0.86 -0.16 0.00 -0.37 0.00 0.00 57.07 57.40 1g9l s TYR 19 Cb 0.00 -3.92 0.02 0.00 -0.40 0.00 0.00 41.96 37.67 1g9l s TYR 19 CO 0.00 -3.13 0.39 0.15 -1.57 0.00 0.00 175.55 171.39 1g9l s LYS 20 N 6.75 3.05 -1.20 -0.62 3.01 -1.26 -5.00 119.74 124.47 1g9l s LYS 20 Ca 0.89 -0.86 -0.20 0.00 -1.01 0.00 0.00 55.97 54.79 1g9l s LYS 20 Cb -0.23 -3.98 0.03 0.00 -1.01 0.00 0.00 37.83 32.64 1g9l s LYS 20 CO 0.30 -0.82 1.73 -0.47 0.51 0.00 0.00 175.35 176.60 1g9l s TYR 21 N 1.97 2.51 -0.08 3.18 6.14 -1.26 -4.96 117.35 124.86 1g9l s TYR 21 Ca 0.09 -0.94 -0.22 0.00 0.64 0.00 0.00 57.07 56.65 1g9l s TYR 21 Cb -0.18 -4.56 -0.04 0.00 0.42 0.00 0.00 41.96 37.60 1g9l s TYR 21 CO 0.12 -1.72 0.63 0.00 0.64 0.00 0.00 175.55 175.22 1g9l s ALA 22 N 6.03 3.38 -0.10 3.97 0.00 -1.26 -5.02 121.76 128.76 1g9l s ALA 22 Ca 0.56 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 1g9l s ALA 22 Cb 0.02 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1g9l s ALA 22 CO 0.05 -0.06 1.49 0.00 0.00 0.00 0.00 175.76 177.24 1g9l s ALA 23 N 0.69 3.64 -0.87 0.00 0.00 -1.26 -4.92 121.76 119.03 1g9l s ALA 23 Ca 0.34 0.74 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 1g9l s ALA 23 Cb -0.17 -3.69 0.32 0.00 0.00 0.00 0.00 23.12 19.58 1g9l s ALA 23 CO 0.16 -1.30 2.04 0.41 0.00 0.00 0.00 175.76 177.07 1g9l n GLY 24 N 3.91 5.58 0.08 0.00 0.00 -1.26 -4.55 105.19 108.95 1g9l n GLY 24 Ca 0.16 -2.46 -0.10 0.00 0.00 0.00 0.00 46.02 43.62 1g9l n GLY 24 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1g9l h VAL 25 N 2.05 1.12 -3.44 1.61 3.04 -2.05 -3.43 116.25 115.14 1g9l h VAL 25 Ca 0.56 -2.89 -0.63 0.00 -1.01 0.00 0.00 66.70 62.73 1g9l h VAL 25 Cb 0.13 2.60 -0.14 0.00 -2.01 0.00 0.00 31.29 31.87 1g9l h VAL 25 CO 1.35 0.70 0.36 -0.13 -1.01 0.00 0.00 177.57 178.84 1g9l s ARG 26 N -2.63 3.33 0.14 4.17 0.52 -1.26 -5.04 118.95 118.18 1g9l s ARG 26 Ca -0.05 -0.29 -0.14 0.00 -0.52 0.00 0.00 55.73 54.73 1g9l s ARG 26 Cb 0.08 -4.00 -0.07 0.00 0.52 0.00 0.00 34.95 31.49 1g9l s ARG 26 CO 0.83 -1.24 0.54 -0.80 0.02 0.00 0.00 175.30 174.65 1g9l s ASN 27 N 2.42 6.82 0.00 0.23 0.01 -1.26 -4.96 114.94 118.20 1g9l s ASN 27 Ca 0.27 1.07 0.00 0.00 -0.71 0.00 0.00 52.86 53.49 1g9l s ASN 27 Cb -0.13 -2.29 0.00 0.00 0.41 0.00 0.00 41.25 39.24 1g9l s ASN 27 CO 0.20 0.11 0.58 -0.81 -1.51 0.00 0.00 177.10 175.67 1g9l n PRO 28 N 0.84 0.89 -2.21 -0.60 -0.04 -1.26 -4.81 135.00 127.82 1g9l n PRO 28 Ca -0.06 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.00 1g9l n PRO 28 Cb 0.52 -1.33 -0.03 0.00 -0.04 0.00 0.00 33.50 32.62 1g9l n PRO 28 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1g9l s GLN 29 N -0.67 2.94 0.00 0.54 -1.52 -1.26 -4.86 119.66 114.84 1g9l s GLN 29 Ca 0.00 0.50 0.00 0.00 -1.95 0.00 0.00 55.36 53.91 1g9l s GLN 29 Cb 0.00 -4.27 0.00 0.00 -0.22 0.00 0.00 33.01 28.52 1g9l s GLN 29 CO 0.00 -2.37 0.00 0.94 -0.25 0.00 0.00 175.29 173.61 1g9l n GLN 30 N 9.03 0.00 -3.68 2.91 7.27 -1.26 -4.99 117.38 126.65 1g9l n GLN 30 Ca 0.16 0.00 -0.21 0.00 0.07 0.00 0.00 57.00 57.02 1g9l n GLN 30 Cb 0.50 -0.20 0.04 0.00 2.41 0.00 0.00 30.24 33.00 1g9l n GLN 30 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 1g9l n HIS 31 N -1.16 -1.98 -2.56 3.69 -0.00 -1.26 -4.91 115.22 107.04 1g9l n HIS 31 Ca 0.00 0.86 -0.43 0.00 0.46 0.00 0.00 57.72 58.61 1g9l n HIS 31 Cb 0.00 -4.46 -0.02 0.00 -0.12 0.00 0.00 29.99 25.39 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1g9l s LEU 32 N -6.69 4.01 -1.25 0.27 1.02 -1.26 -4.95 118.68 109.83 1g9l s LEU 32 Ca 0.05 1.28 -0.10 0.00 0.02 0.00 0.00 54.13 55.39 1g9l s LEU 32 Cb -0.03 -3.54 0.18 0.00 0.02 0.00 0.00 46.19 42.82 1g9l s LEU 32 CO 0.80 -0.85 1.73 0.59 0.02 0.00 0.00 176.35 178.65 1g9l n ASN 33 N 6.83 5.20 -4.27 2.29 3.02 -1.26 -4.91 115.26 122.16 1g9l n ASN 33 Ca 0.13 -3.09 -0.42 0.00 -0.03 0.00 0.00 54.58 51.17 1g9l n ASN 33 Cb 0.46 -1.49 -0.01 0.00 -0.61 0.00 0.00 39.78 38.14 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1g9l n ALA 34 N 4.17 4.01 -0.08 5.41 0.00 -1.26 -4.69 120.51 128.07 1g9l n ALA 34 Ca 0.38 -3.77 -0.15 0.00 0.00 0.00 0.00 53.44 49.91 1g9l n ALA 34 Cb 0.38 -3.58 -0.11 0.00 0.00 0.00 0.00 19.45 16.14 1g9l n ALA 34 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1g9l h GLN 35 N 7.27 0.00 0.00 0.00 -0.00 -2.04 -3.34 115.11 117.00 1g9l h GLN 35 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.12 1g9l h GLN 35 Cb 0.79 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.27 1g9l h GLN 35 CO 1.60 0.90 0.00 -1.00 0.00 0.00 0.00 178.83 180.32 1g9l h PRO 36 N -1.00 0.00 -6.58 -2.39 0.13 -2.04 -3.42 132.00 116.70 1g9l h PRO 36 Ca -0.10 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.47 1g9l h PRO 36 Cb 0.99 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.06 1g9l h PRO 36 CO -0.06 0.00 1.03 -1.14 -0.23 0.00 0.00 178.00 177.60 1g9l s GLN 37 N -3.57 3.59 -0.83 0.86 0.74 -1.26 -4.97 119.66 114.22 1g9l s GLN 37 Ca 0.02 0.73 -0.15 0.00 0.05 0.00 0.00 55.36 56.01 1g9l s GLN 37 Cb 0.09 -4.00 0.19 0.00 1.10 0.00 0.00 33.01 30.40 1g9l s GLN 37 CO 0.47 -1.56 0.83 0.08 -0.55 0.00 0.00 175.29 174.56 1g9l s VAL 38 N 5.18 5.39 -0.08 1.34 1.01 -1.26 -4.79 120.40 127.18 1g9l s VAL 38 Ca 0.55 -2.19 -0.09 0.00 0.00 0.00 0.00 61.98 60.25 1g9l s VAL 38 Cb -0.11 -4.53 -0.04 0.00 0.00 0.00 0.00 36.38 31.70 1g9l s VAL 38 CO 0.31 -1.13 -0.19 0.41 0.00 0.00 0.00 175.10 174.51 1g9l n THR 39 N 4.39 1.21 -2.82 3.92 -1.04 -1.26 -5.06 114.28 113.63 1g9l n THR 39 Ca 0.14 0.12 -0.21 0.00 -2.04 0.00 0.00 64.05 62.06 1g9l n THR 39 Cb 0.47 -1.91 0.02 0.00 -1.82 0.00 0.00 70.33 67.09 1g9l n THR 39 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g9l s MET 40 N -2.43 2.75 0.40 -2.82 0.23 -1.26 -5.10 119.30 111.07 1g9l s MET 40 Ca -0.17 -0.76 -0.11 0.00 -1.03 0.00 0.00 55.69 53.61 1g9l s MET 40 Cb 0.04 -2.55 -0.07 0.00 -1.53 0.00 0.00 34.83 30.72 1g9l s MET 40 CO 0.24 -0.50 0.78 -0.65 -2.03 0.00 0.00 175.02 172.86 1g9l s GLN 41 N -4.63 3.82 -0.53 3.16 -0.21 -1.26 -5.06 119.66 114.96 1g9l s GLN 41 Ca 0.54 0.53 0.02 0.00 0.02 0.00 0.00 55.36 56.47 1g9l s GLN 41 Cb -0.10 -2.38 0.14 0.00 1.00 0.00 0.00 33.01 31.66 1g9l s GLN 41 CO 0.37 -0.02 0.29 -0.65 -2.12 0.00 0.00 175.29 173.16 1g9l s GLN 42 N -3.72 2.09 0.07 2.91 -0.21 -1.26 -5.08 119.66 114.45 1g9l s GLN 42 Ca 0.52 -2.53 -0.34 0.00 0.02 0.00 0.00 55.36 53.03 1g9l s GLN 42 Cb -0.10 -3.42 -0.14 0.00 1.00 0.00 0.00 33.01 30.35 1g9l s GLN 42 CO 0.29 -1.11 1.65 -2.30 -2.12 0.00 0.00 175.29 171.70 1g9l n PRO 43 N 3.31 2.05 -2.90 2.91 -0.02 -1.26 -4.91 135.00 134.19 1g9l n PRO 43 Ca 0.06 0.74 -0.44 0.00 -2.02 0.00 0.00 63.50 61.84 1g9l n PRO 43 Cb 0.34 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 1g9l n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g9l s ALA 44 N 1.86 3.31 -0.73 3.55 0.00 -1.26 -4.96 121.76 123.53 1g9l s ALA 44 Ca 0.84 -2.70 -0.13 0.00 0.00 0.00 0.00 51.96 49.97 1g9l s ALA 44 Cb -0.72 -4.08 0.19 0.00 0.00 0.00 0.00 23.12 18.51 1g9l s ALA 44 CO 0.43 -3.02 0.66 0.14 0.00 0.00 0.00 175.76 173.96 1g9l s VAL 45 N 2.91 5.28 -0.59 0.00 -7.23 -1.26 -5.03 120.40 114.49 1g9l s VAL 45 Ca 0.33 -2.27 -0.27 0.00 -1.81 0.00 0.00 61.98 57.97 1g9l s VAL 45 Cb -0.05 -4.31 0.03 0.00 0.56 0.00 0.00 36.38 32.62 1g9l s VAL 45 CO -0.09 -0.97 1.11 -1.00 -0.31 0.00 0.00 175.10 173.85 1g9l s HIS 46 N 0.52 2.64 -0.24 2.82 3.76 -1.26 -4.84 115.29 118.69 1g9l s HIS 46 Ca 0.14 0.21 0.16 0.00 -0.15 0.00 0.00 55.06 55.42 1g9l s HIS 46 Cb -0.16 -4.38 0.55 0.00 1.11 0.00 0.00 32.58 29.70 1g9l s HIS 46 CO -0.05 -1.55 1.44 1.55 -0.85 0.00 0.00 174.74 175.28 1g9l n VAL 47 N 6.47 2.25 0.03 -0.90 3.14 -1.26 -4.56 118.33 123.50 1g9l n VAL 47 Ca 0.06 -1.78 -0.04 0.00 -2.96 0.00 0.00 64.34 59.61 1g9l n VAL 47 Cb 0.48 -0.21 0.18 0.00 -1.06 0.00 0.00 33.84 33.23 1g9l n VAL 47 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 1g9l h GLN 48 N 2.04 0.45 -5.12 1.45 5.75 -2.05 -3.35 115.11 114.28 1g9l h GLN 48 Ca 0.00 -0.20 -0.72 0.00 -0.15 0.00 0.00 58.65 57.59 1g9l h GLN 48 Cb 1.45 -0.01 -0.14 0.00 1.07 0.00 0.00 27.48 29.85 1g9l h GLN 48 CO 0.23 0.73 1.72 0.41 -2.65 0.00 0.00 178.83 179.28 1g9l n GLY 49 N -0.22 3.14 3.52 2.39 0.00 -1.26 -4.96 105.19 107.80 1g9l n GLY 49 Ca -0.01 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 1g9l n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g9l s GLN 50 N 2.55 3.31 -0.07 1.61 -0.21 -1.26 -4.91 119.66 120.68 1g9l s GLN 50 Ca 0.47 -0.27 -0.26 0.00 0.02 0.00 0.00 55.36 55.32 1g9l s GLN 50 Cb 0.00 -4.09 -0.23 0.00 1.00 0.00 0.00 33.01 29.69 1g9l s GLN 50 CO 0.03 -1.66 1.01 0.93 -2.12 0.00 0.00 175.29 173.48 1g9l h GLU 51 N 9.49 0.06 -6.93 2.91 5.08 -1.95 -3.46 114.58 119.78 1g9l h GLU 51 Ca -0.27 -0.06 -0.56 0.00 -1.00 0.00 0.00 59.36 57.47 1g9l h GLU 51 Cb 1.07 0.02 0.14 0.00 0.50 0.00 0.00 28.75 30.47 1g9l h GLU 51 CO 1.15 0.81 0.51 -0.35 -1.00 0.00 0.00 179.01 180.13 1g9l n PRO 52 N -4.65 1.73 -2.98 2.33 -0.04 -1.26 -4.98 135.00 125.15 1g9l n PRO 52 Ca -0.09 0.63 -0.34 0.00 -0.04 0.00 0.00 63.50 63.65 1g9l n PRO 52 Cb 0.42 -2.46 -0.06 0.00 -0.04 0.00 0.00 33.50 31.35 1g9l n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1g9l s LEU 53 N -2.55 4.12 0.00 1.53 2.96 -1.26 -4.94 118.68 118.54 1g9l s LEU 53 Ca 0.67 1.52 -0.03 0.00 -0.22 0.00 0.00 54.13 56.07 1g9l s LEU 53 Cb -0.45 -4.12 0.01 0.00 0.50 0.00 0.00 46.19 42.13 1g9l s LEU 53 CO 0.53 -0.19 0.18 0.41 -1.32 0.00 0.00 176.35 175.96 1g9l n THR 54 N -0.11 0.00 -0.26 3.68 -1.04 -1.26 -4.91 114.28 110.38 1g9l n THR 54 Ca 0.03 -0.16 0.13 0.00 -2.04 0.00 0.00 64.05 62.01 1g9l n THR 54 Cb 0.53 0.18 0.40 0.00 -1.82 0.00 0.00 70.33 69.61 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g9l h ALA 55 N 2.00 1.88 -0.38 2.41 0.00 -1.60 -0.18 119.26 123.40 1g9l h ALA 55 Ca -0.06 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1g9l h ALA 55 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1g9l h ALA 55 CO 0.08 -0.13 0.23 0.77 0.00 0.00 0.00 179.25 180.19 1g9l h SER 56 N 0.65 0.46 -0.71 0.00 0.02 -1.88 -0.52 113.55 111.56 1g9l h SER 56 Ca 0.45 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.37 1g9l h SER 56 Cb 0.78 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 1g9l h SER 56 CO -0.20 0.38 0.44 0.24 -1.14 0.00 0.00 176.83 176.55 1g9l h MET 57 N 0.49 0.84 -0.27 3.45 2.07 -1.44 -1.51 114.93 118.57 1g9l h MET 57 Ca 0.14 -0.05 0.03 0.00 -2.07 0.00 0.00 59.70 57.74 1g9l h MET 57 Cb 0.01 -0.19 -0.03 0.00 -1.87 0.00 0.00 31.60 29.52 1g9l h MET 57 CO -0.03 0.56 0.09 -0.07 1.07 0.00 0.00 176.91 178.53 1g9l h LEU 58 N 0.87 0.10 0.00 1.22 4.07 -0.76 -0.28 115.31 120.53 1g9l h LEU 58 Ca 0.28 0.03 0.00 0.00 0.08 0.00 0.00 57.88 58.27 1g9l h LEU 58 Cb 0.02 0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1g9l h LEU 58 CO -0.11 0.09 0.00 0.00 -1.08 0.00 0.00 178.44 177.35 1g9l n ALA 59 N -2.28 2.04 1.21 1.53 0.00 -0.25 -2.22 120.51 120.54 1g9l n ALA 59 Ca -0.01 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1g9l n ALA 59 Cb 0.09 -1.29 0.45 0.00 0.00 0.00 0.00 19.45 18.70 1g9l n ALA 59 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1g9l n SER 60 N -1.16 0.59 -2.81 0.00 2.88 -0.12 -4.17 113.62 108.84 1g9l n SER 60 Ca 0.11 -0.47 -0.17 0.00 -1.33 0.00 0.00 58.87 57.01 1g9l n SER 60 Cb 0.10 0.03 -0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l n ALA 61 N -1.06 3.51 -2.77 -1.46 0.00 -0.94 -5.06 120.51 112.72 1g9l n ALA 61 Ca 0.11 -3.63 -0.39 0.00 0.00 0.00 0.00 53.44 49.52 1g9l n ALA 61 Cb 0.32 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 18.82 1g9l n ALA 61 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1g9l s PRO 62 N -3.06 3.27 -0.18 0.00 0.04 -1.26 0.10 135.00 133.92 1g9l s PRO 62 Ca 0.37 -0.77 -0.09 0.00 0.04 0.00 0.00 61.00 60.55 1g9l s PRO 62 Cb 0.40 -3.66 -0.05 0.00 0.04 0.00 0.00 34.50 31.23 1g9l s PRO 62 CO -0.06 -0.48 0.11 -1.25 0.04 0.00 0.00 177.00 175.36 1g9l s PRO 63 N 1.63 3.97 0.00 0.56 0.04 -1.26 -5.11 135.00 134.83 1g9l s PRO 63 Ca 0.05 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1g9l s PRO 63 Cb -0.18 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1g9l s PRO 63 CO 0.07 0.39 0.00 0.94 0.04 0.00 0.00 177.00 178.45 1g9l n GLN 64 N 3.20 0.00 -0.22 4.56 7.27 0.28 -4.95 117.38 127.52 1g9l n GLN 64 Ca -0.17 0.00 0.09 0.00 0.07 0.00 0.00 57.00 56.99 1g9l n GLN 64 Cb 0.53 0.00 0.26 0.00 2.41 0.00 0.00 30.24 33.43 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1g9l n GLU 65 N -0.24 2.17 -0.15 3.69 -0.58 -1.02 -4.36 120.64 120.15 1g9l n GLU 65 Ca 0.00 -1.81 -0.03 0.00 -0.42 0.00 0.00 57.16 54.91 1g9l n GLU 65 Cb 0.00 -1.42 0.06 0.00 -0.57 0.00 0.00 31.44 29.50 1g9l n GLU 65 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1g9l h GLN 66 N 3.15 0.14 -0.85 3.49 4.20 -1.69 -1.56 115.11 121.98 1g9l h GLN 66 Ca 0.00 -0.01 -0.58 0.00 0.06 0.00 0.00 58.65 58.12 1g9l h GLN 66 Cb 0.71 -0.03 -0.40 0.00 0.30 0.00 0.00 27.48 28.06 1g9l h GLN 66 CO 0.00 0.09 -0.49 0.36 -0.67 0.00 0.00 178.83 178.12 1g9l n LYS 67 N -5.19 3.43 0.07 1.46 2.85 -1.26 -4.50 118.16 115.02 1g9l n LYS 67 Ca 0.05 -4.02 0.00 0.00 -1.05 0.00 0.00 58.31 53.29 1g9l n LYS 67 Cb 0.25 -2.28 0.00 0.00 -0.65 0.00 0.00 35.03 32.35 1g9l n LYS 67 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1g9l n GLN 68 N -0.73 0.00 -0.01 -1.58 6.02 -0.95 -4.85 117.38 115.28 1g9l n GLN 68 Ca 0.47 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.57 1g9l n GLN 68 Cb 0.89 -0.02 0.63 0.00 1.02 0.00 0.00 30.24 32.76 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g9l n MET 69 N -2.96 1.08 -0.10 -1.09 0.00 -0.63 -3.03 117.12 110.39 1g9l n MET 69 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 57.70 57.46 1g9l n MET 69 Cb 0.01 -1.35 -0.01 0.00 0.00 0.00 0.00 33.22 31.87 1g9l n MET 69 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 175.97 177.34 1g9l h LEU 70 N 0.25 0.94 -2.61 3.17 8.10 -1.79 -3.16 115.31 120.21 1g9l h LEU 70 Ca 0.00 -0.44 -0.07 0.00 0.11 0.00 0.00 57.88 57.48 1g9l h LEU 70 Cb 0.05 -0.27 -0.15 0.00 -0.44 0.00 0.00 40.66 39.86 1g9l h LEU 70 CO 0.00 1.23 -0.65 0.61 -4.11 0.00 0.00 178.44 175.52 1g9l n GLY 71 N 0.15 1.74 0.00 0.17 0.00 -1.24 -4.55 105.19 101.46 1g9l n GLY 71 Ca -0.02 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1g9l n GLY 71 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g9l n GLU 72 N -0.11 0.32 0.00 1.61 1.02 -1.17 -3.52 120.64 118.79 1g9l n GLU 72 Ca 0.06 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 1g9l n GLU 72 Cb 0.86 -0.28 0.00 0.00 -0.02 0.00 0.00 31.44 32.01 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1g9l n ARG 73 N -0.05 2.21 0.08 3.49 0.63 -1.21 -4.71 116.66 117.10 1g9l n ARG 73 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 1g9l n ARG 73 Cb 0.10 -0.82 0.45 0.00 0.45 0.00 0.00 32.46 32.65 1g9l n ARG 73 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1g9l n LEU 74 N -1.00 0.49 -0.08 6.15 4.77 -1.20 -3.96 117.00 122.18 1g9l n LEU 74 Ca 0.00 0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 56.45 1g9l n LEU 74 Cb 0.03 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 1g9l n LEU 74 CO 0.00 -0.29 0.58 0.15 -1.33 0.00 0.00 177.39 176.50 1g9l h PHE 75 N 0.00 -1.20 0.00 -1.77 3.57 -1.90 0.36 116.94 116.00 1g9l h PHE 75 Ca 0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1g9l h PHE 75 Cb 0.49 0.57 0.00 0.00 2.79 0.00 0.00 35.95 39.79 1g9l h PHE 75 CO 0.00 -0.45 0.00 -2.30 -2.23 0.00 0.00 178.31 173.33 1g9l n PRO 76 N -5.42 0.06 -0.04 6.41 -0.02 -1.25 -1.72 135.00 133.01 1g9l n PRO 76 Ca -0.02 0.47 -0.06 0.00 -2.02 0.00 0.00 63.50 61.87 1g9l n PRO 76 Cb 0.35 -1.65 -0.14 0.00 -0.02 0.00 0.00 33.50 32.04 1g9l n PRO 76 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1g9l n LEU 77 N -1.77 0.46 -0.16 2.45 7.99 0.10 -4.28 117.00 121.79 1g9l n LEU 77 Ca 0.01 0.21 -0.10 0.00 -0.01 0.00 0.00 56.01 56.11 1g9l n LEU 77 Cb 0.07 0.27 0.02 0.00 -0.11 0.00 0.00 43.42 43.67 1g9l n LEU 77 CO 0.07 0.35 0.70 0.40 -1.51 0.00 0.00 177.39 177.41 1g9l h ILE 78 N 0.00 1.27 -0.03 -0.08 1.08 0.10 -2.30 117.51 117.55 1g9l h ILE 78 Ca -0.34 -1.34 0.01 0.00 -0.39 0.00 0.00 64.86 62.80 1g9l h ILE 78 Cb 1.94 1.07 -0.00 0.00 -3.07 0.00 0.00 36.82 36.76 1g9l h ILE 78 CO 0.05 0.46 0.48 1.56 -0.69 0.00 0.00 178.15 180.01 1g9l h GLN 79 N 0.86 0.00 0.23 2.37 4.20 -1.73 0.42 115.11 121.47 1g9l h GLN 79 Ca 0.12 0.00 -0.31 0.00 0.06 0.00 0.00 58.65 58.52 1g9l h GLN 79 Cb 0.75 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.56 1g9l h GLN 79 CO 0.06 0.00 -1.40 0.00 -0.67 0.00 0.00 178.83 176.82 1g9l h ALA 80 N 1.06 -0.11 0.03 3.87 0.00 -1.64 -3.22 119.26 119.25 1g9l h ALA 80 Ca 0.01 -0.87 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 1g9l h ALA 80 Cb 0.98 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1g9l h ALA 80 CO -0.00 0.68 -0.02 0.52 0.00 0.00 0.00 179.25 180.43 1g9l h MET 81 N 0.04 -0.04 -6.44 0.00 2.86 -0.25 -3.46 114.93 107.65 1g9l h MET 81 Ca -0.25 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 56.75 1g9l h MET 81 Cb 2.07 0.01 -0.13 0.00 0.06 0.00 0.00 31.60 33.60 1g9l h MET 81 CO 0.24 0.50 -0.70 -1.01 1.06 0.00 0.00 176.91 177.00 1g9l s HIS 82 N -3.88 2.82 -1.01 -0.22 4.02 -0.42 -5.01 115.29 111.58 1g9l s HIS 82 Ca -0.16 -0.13 -0.26 0.00 1.02 0.00 0.00 55.06 55.53 1g9l s HIS 82 Cb 0.01 -1.43 -0.22 0.00 -1.02 0.00 0.00 32.58 29.92 1g9l s HIS 82 CO 0.65 0.47 2.16 -0.35 1.02 0.00 0.00 174.74 178.68 1g9l n PRO 83 N 0.39 0.18 -2.68 8.40 -0.04 -1.26 -3.61 135.00 136.37 1g9l n PRO 83 Ca -0.12 -1.51 -0.06 0.00 -0.04 0.00 0.00 63.50 61.78 1g9l n PRO 83 Cb 0.53 -3.84 -0.01 0.00 -0.04 0.00 0.00 33.50 30.14 1g9l n PRO 83 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1g9l n THR 84 N 8.97 -0.13 1.97 0.52 5.66 -1.22 -4.74 114.28 125.32 1g9l n THR 84 Ca 0.41 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.54 1g9l n THR 84 Cb 0.46 -0.37 0.73 0.00 -1.55 0.00 0.00 70.33 69.59 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1g9l n LEU 85 N -2.72 0.07 0.00 1.09 7.99 -1.24 -4.77 117.00 117.43 1g9l n LEU 85 Ca -0.01 -0.03 0.00 0.00 -0.01 0.00 0.00 56.01 55.96 1g9l n LEU 85 Cb 0.51 -0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.82 1g9l n LEU 85 CO 0.12 0.01 0.00 0.00 -1.51 0.00 0.00 177.39 176.01 1g9l n ALA 86 N -0.84 0.00 0.00 -1.18 0.00 -1.26 -4.57 120.51 112.66 1g9l n ALA 86 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1g9l n ALA 86 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1g9l n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g9l n GLY 87 N 1.50 2.65 0.00 0.00 0.00 -1.26 -4.39 105.19 103.70 1g9l n GLY 87 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1g9l n GLY 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1g9l n LYS 88 N -2.00 0.81 0.00 1.61 3.00 -1.26 -4.95 118.16 115.38 1g9l n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1g9l n LYS 88 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 34.94 1g9l n LYS 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1g9l n ILE 89 N -0.12 0.00 -0.31 3.15 5.41 -1.26 -0.05 119.36 126.18 1g9l n ILE 89 Ca 0.00 0.68 0.07 0.00 1.00 0.00 0.00 62.75 64.50 1g9l n ILE 89 Cb 0.00 -1.41 0.23 0.00 -0.71 0.00 0.00 39.64 37.75 1g9l n ILE 89 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 1g9l h THR 90 N 0.00 0.79 -0.64 1.39 2.02 -1.92 0.32 112.91 114.87 1g9l h THR 90 Ca 0.00 -0.25 0.16 0.00 0.77 0.00 0.00 66.41 67.09 1g9l h THR 90 Cb 0.00 -0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.37 1g9l h THR 90 CO 0.00 0.13 0.44 1.23 0.37 0.00 0.00 175.52 177.70 1g9l h GLY 91 N 0.73 0.24 1.62 2.16 0.00 -1.59 0.31 103.07 106.54 1g9l h GLY 91 Ca 0.47 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.62 1g9l h GLY 91 CO -0.33 0.02 -0.83 1.98 0.00 0.00 0.00 176.54 177.38 1g9l h MET 92 N 0.14 0.00 0.00 4.80 1.85 0.33 -3.21 114.93 118.84 1g9l h MET 92 Ca 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.40 1g9l h MET 92 Cb 1.01 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.04 1g9l h MET 92 CO -0.04 0.41 0.02 1.28 -0.40 0.00 0.00 176.91 178.18 1g9l n LEU 93 N -3.09 0.10 -1.94 3.39 7.99 0.11 0.10 117.00 123.66 1g9l n LEU 93 Ca -0.02 0.52 -0.10 0.00 -0.01 0.00 0.00 56.01 56.41 1g9l n LEU 93 Cb 0.76 -0.53 0.26 0.00 -0.11 0.00 0.00 43.42 43.80 1g9l n LEU 93 CO 0.41 -0.56 1.06 0.18 -1.51 0.00 0.00 177.39 176.98 1g9l n LEU 94 N -1.61 6.00 0.00 2.23 4.32 -1.18 -3.83 117.00 122.92 1g9l n LEU 94 Ca -0.00 -3.36 0.00 0.00 -0.02 0.00 0.00 56.01 52.63 1g9l n LEU 94 Cb 0.03 -0.75 0.00 0.00 -1.62 0.00 0.00 43.42 41.08 1g9l n LEU 94 CO 0.02 0.90 0.00 -1.84 -1.22 0.00 0.00 177.39 175.25 1g9l n GLU 95 N -0.51 0.00 0.00 3.23 0.28 0.29 -5.09 120.64 118.84 1g9l n GLU 95 Ca 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 1g9l n GLU 95 Cb 1.41 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.28 1g9l n GLU 95 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 177.13 177.41 1g9l n ILE 96 N 0.00 0.00 0.00 3.84 -0.00 0.16 -4.61 119.36 118.76 1g9l n ILE 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1g9l n ILE 96 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.79 1g9l n ILE 96 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1g9l n ASP 97 N 0.00 0.00 0.00 7.28 2.03 -1.26 -4.74 116.55 119.85 1g9l n ASP 97 Ca 0.00 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1g9l n ASP 97 Cb 0.00 -0.34 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 1g9l n ASP 97 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1g9l n ASN 98 N -1.33 0.00 0.08 1.67 4.13 -1.26 -4.71 115.26 113.85 1g9l n ASN 98 Ca 0.00 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.17 1g9l n ASN 98 Cb 0.13 -0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.35 1g9l n ASN 98 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1g9l h SER 99 N 0.00 0.25 0.07 6.41 4.64 -1.97 -2.91 113.55 120.05 1g9l h SER 99 Ca 0.00 -0.21 -0.13 0.00 -0.47 0.00 0.00 61.79 60.98 1g9l h SER 99 Cb 0.00 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 1g9l h SER 99 CO 0.00 1.02 -0.43 -0.33 -0.87 0.00 0.00 176.83 176.22 1g9l h GLU 100 N 0.10 0.44 0.00 4.77 3.07 -1.91 -0.05 114.58 120.99 1g9l h GLU 100 Ca -0.05 -0.23 -0.05 0.00 -0.50 0.00 0.00 59.36 58.53 1g9l h GLU 100 Cb 1.54 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.44 1g9l h GLU 100 CO 0.14 0.79 -0.26 1.25 -1.40 0.00 0.00 179.01 179.53 1g9l h LEU 101 N 0.36 0.00 0.00 1.33 7.12 -1.64 -0.61 115.31 121.87 1g9l h LEU 101 Ca 0.03 0.00 -0.08 0.00 0.13 0.00 0.00 57.88 57.96 1g9l h LEU 101 Cb 0.91 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 41.03 1g9l h LEU 101 CO 0.08 0.26 -0.42 -0.07 -0.13 0.00 0.00 178.44 178.15 1g9l h LEU 102 N 0.00 0.01 -0.21 2.25 4.07 -1.27 -3.32 115.31 116.84 1g9l h LEU 102 Ca -0.00 -0.84 0.02 0.00 0.08 0.00 0.00 57.88 57.13 1g9l h LEU 102 Cb 0.49 -0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.21 1g9l h LEU 102 CO 0.03 1.17 0.09 -0.74 -1.08 0.00 0.00 178.44 177.91 1g9l h HIS 103 N -0.98 0.17 -0.90 1.13 2.76 -0.95 -2.55 115.15 113.82 1g9l h HIS 103 Ca -0.12 0.01 0.19 0.00 -2.20 0.00 0.00 60.37 58.26 1g9l h HIS 103 Cb 1.11 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.96 1g9l h HIS 103 CO 0.22 0.09 0.59 0.00 -1.30 0.00 0.00 177.93 177.53 1g9l h MET 104 N 0.20 0.45 -0.00 5.26 -0.00 -1.28 0.60 114.93 120.16 1g9l h MET 104 Ca 0.09 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 1g9l h MET 104 Cb 0.04 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.53 1g9l h MET 104 CO -0.07 0.30 -0.21 1.28 -0.00 0.00 0.00 176.91 178.21 1g9l n LEU 105 N -4.53 0.30 -0.15 -0.10 4.77 -1.00 -3.13 117.00 113.15 1g9l n LEU 105 Ca 0.19 0.20 0.06 0.00 -0.03 0.00 0.00 56.01 56.43 1g9l n LEU 105 Cb 0.66 -0.33 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 1g9l n LEU 105 CO 0.30 0.07 0.11 -1.84 -1.33 0.00 0.00 177.39 174.69 1g9l n GLU 106 N -1.37 2.33 -3.83 3.23 -0.00 0.19 -4.78 120.64 116.41 1g9l n GLU 106 Ca 0.08 -0.36 -0.12 0.00 -0.00 0.00 0.00 57.16 56.76 1g9l n GLU 106 Cb 0.32 -1.14 -0.13 0.00 -0.00 0.00 0.00 31.44 30.49 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1g9l s SER 107 N -1.93 -0.11 0.00 -1.84 0.15 -0.17 -5.01 113.70 104.79 1g9l s SER 107 Ca 0.08 0.22 0.12 0.00 0.70 0.00 0.00 55.95 57.07 1g9l s SER 107 Cb 0.10 0.23 0.72 0.00 -1.71 0.00 0.00 66.02 65.36 1g9l s SER 107 CO 0.43 -0.04 1.19 -0.81 1.20 0.00 0.00 173.24 175.21 1g9l n PRO 108 N 3.00 0.61 0.00 5.44 -0.04 -1.26 -2.50 135.00 140.25 1g9l n PRO 108 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 1g9l n PRO 108 Cb 0.59 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 1g9l n PRO 108 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1g9l n GLU 109 N -0.81 2.75 0.01 0.54 1.02 -1.26 -4.75 120.64 118.14 1g9l n GLU 109 Ca 0.09 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.11 1g9l n GLU 109 Cb 0.04 -0.73 -0.08 0.00 -0.02 0.00 0.00 31.44 30.65 1g9l n GLU 109 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1g9l h SER 110 N 0.00 0.02 -0.88 1.62 4.64 -1.75 0.57 113.55 117.76 1g9l h SER 110 Ca 0.00 -0.21 0.26 0.00 -0.47 0.00 0.00 61.79 61.37 1g9l h SER 110 Cb 0.00 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1g9l h SER 110 CO 0.00 0.22 0.85 0.25 -0.87 0.00 0.00 176.83 177.28 1g9l h LEU 111 N -0.19 0.00 0.00 5.97 7.12 -1.60 0.67 115.31 127.28 1g9l h LEU 111 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1g9l h LEU 111 Cb 0.21 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.34 1g9l h LEU 111 CO -0.00 0.00 -0.34 0.54 -0.13 0.00 0.00 178.44 178.51 1g9l n ARG 112 N -3.68 0.21 -0.42 1.25 1.74 -0.75 -2.79 116.66 112.23 1g9l n ARG 112 Ca 0.19 0.21 0.40 0.00 -0.77 0.00 0.00 57.85 57.87 1g9l n ARG 112 Cb 1.14 -1.01 0.77 0.00 -1.02 0.00 0.00 32.46 32.34 1g9l n ARG 112 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1g9l h SER 113 N -0.43 0.01 0.19 0.55 0.02 0.41 0.86 113.55 115.15 1g9l h SER 113 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 1g9l h SER 113 Cb 0.34 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.91 1g9l h SER 113 CO 0.00 -0.00 -1.16 0.11 -1.14 0.00 0.00 176.83 174.64 1g9l h LYS 114 N 0.00 0.41 0.68 3.45 1.79 0.16 -2.92 116.57 120.14 1g9l h LYS 114 Ca 0.66 -0.70 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1g9l h LYS 114 Cb 2.64 0.26 0.01 0.00 -1.58 0.00 0.00 32.23 33.55 1g9l h LYS 114 CO -0.01 1.33 -0.33 0.28 -1.08 0.00 0.00 179.45 179.64 1g9l h VAL 115 N -0.13 0.00 -1.03 0.50 2.07 0.60 0.42 116.25 118.68 1g9l h VAL 115 Ca -0.21 -0.29 0.27 0.00 0.82 0.00 0.00 66.70 67.29 1g9l h VAL 115 Cb 1.89 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.54 1g9l h VAL 115 CO 0.20 0.00 0.62 -0.78 0.02 0.00 0.00 177.57 177.64 1g9l h ASP 116 N -1.21 0.58 0.59 0.57 1.82 -0.12 0.60 116.42 119.25 1g9l h ASP 116 Ca -0.09 0.13 -0.21 0.00 -0.39 0.00 0.00 57.03 56.46 1g9l h ASP 116 Cb 0.70 0.04 -0.01 0.00 0.68 0.00 0.00 39.33 40.75 1g9l h ASP 116 CO 0.15 0.06 -0.94 -0.33 -1.61 0.00 0.00 179.24 176.57 1g9l h GLU 117 N 0.49 0.22 0.00 0.28 5.08 -1.45 -3.02 114.58 116.18 1g9l h GLU 117 Ca 0.65 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.69 1g9l h GLU 117 Cb 1.40 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1g9l h GLU 117 CO -0.44 1.01 -0.26 0.00 -1.00 0.00 0.00 179.01 178.33 1g9l h ALA 118 N 0.89 1.26 0.11 3.43 0.00 0.46 -2.68 119.26 122.73 1g9l h ALA 118 Ca -0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1g9l h ALA 118 Cb 1.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1g9l h ALA 118 CO 0.15 0.32 -0.05 0.28 0.00 0.00 0.00 179.25 179.95 1g9l h VAL 119 N 0.00 0.94 -0.36 0.00 2.07 -0.32 0.86 116.25 119.44 1g9l h VAL 119 Ca -0.00 -0.17 0.10 0.00 0.82 0.00 0.00 66.70 67.45 1g9l h VAL 119 Cb 0.57 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1g9l h VAL 119 CO 0.03 0.04 0.35 0.00 0.02 0.00 0.00 177.57 178.02 1g9l h ALA 120 N 0.67 2.10 0.03 1.67 0.00 -1.48 0.35 119.26 122.58 1g9l h ALA 120 Ca -0.01 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 1g9l h ALA 120 Cb 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1g9l h ALA 120 CO 0.02 -0.54 -1.44 0.28 0.00 0.00 0.00 179.25 177.58 1g9l h VAL 121 N 0.00 1.20 -0.13 0.00 2.07 -0.88 -3.12 116.25 115.39 1g9l h VAL 121 Ca 0.17 -2.96 -0.20 0.00 0.82 0.00 0.00 66.70 64.53 1g9l h VAL 121 Cb 0.88 2.63 0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1g9l h VAL 121 CO -0.00 0.73 -0.69 0.25 0.02 0.00 0.00 177.57 177.88 1g9l h LEU 122 N 0.01 0.83 -1.09 2.57 5.85 0.41 -2.09 115.31 121.80 1g9l h LEU 122 Ca -0.18 -0.64 -0.02 0.00 0.84 0.00 0.00 57.88 57.88 1g9l h LEU 122 Cb 1.93 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.68 1g9l h LEU 122 CO 0.11 1.34 0.37 1.56 -0.34 0.00 0.00 178.44 181.48 1g9l h GLN 123 N 0.38 1.01 0.00 1.25 1.08 -0.62 -2.44 115.11 115.77 1g9l h GLN 123 Ca -0.05 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1g9l h GLN 123 Cb 1.32 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.56 1g9l h GLN 123 CO 0.14 0.76 0.00 0.00 -0.95 0.00 0.00 178.83 178.78 1g9l n ALA 124 N -2.43 -0.00 -0.24 3.87 0.00 -1.18 -3.03 120.51 117.49 1g9l n ALA 124 Ca 0.07 0.00 0.22 0.00 0.00 0.00 0.00 53.44 53.73 1g9l n ALA 124 Cb 0.12 0.00 0.37 0.00 0.00 0.00 0.00 19.45 19.94 1g9l n ALA 124 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1g9l n HIS 125 N -0.51 0.51 0.00 0.00 -0.00 -0.79 0.59 115.22 115.01 1g9l n HIS 125 Ca 0.00 0.51 0.00 0.00 -0.00 0.00 0.00 57.72 58.23 1g9l n HIS 125 Cb 0.00 -0.91 0.00 0.00 -0.00 0.00 0.00 29.99 29.08 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1g9l n GLN 126 N -4.00 0.00 -1.04 1.57 6.02 -0.92 -4.16 117.38 114.85 1g9l n GLN 126 Ca 0.23 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 57.01 1g9l n GLN 126 Cb 0.85 -0.77 0.14 0.00 1.02 0.00 0.00 30.24 31.48 1g9l n GLN 126 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g9l n ALA 127 N -1.34 5.19 -1.84 -1.58 0.00 -0.63 -4.86 120.51 115.45 1g9l n ALA 127 Ca 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 53.44 50.97 1g9l n ALA 127 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.04 1g9l n ALA 127 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1g9l n LYS 128 N -0.82 2.56 -0.54 0.00 2.85 0.20 -4.95 118.16 117.47 1g9l n LYS 128 Ca 0.50 0.00 -0.10 0.00 -1.05 0.00 0.00 58.31 57.66 1g9l n LYS 128 Cb 1.36 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 35.81 1g9l n LYS 128 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1g9l n GLU 129 N -0.03 1.52 0.00 -1.58 1.02 -1.26 -4.45 120.64 115.86 1g9l n GLU 129 Ca 0.00 -1.21 0.04 0.00 -0.02 0.00 0.00 57.16 55.97 1g9l n GLU 129 Cb 0.00 -1.47 0.21 0.00 -0.02 0.00 0.00 31.44 30.16 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g9l n ALA 130 N -0.05 2.00 1.31 0.62 0.00 -1.26 -3.13 120.51 120.01 1g9l n ALA 130 Ca 0.24 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.74 1g9l n ALA 130 Cb 0.91 -1.12 0.62 0.00 0.00 0.00 0.00 19.45 19.86 1g9l n ALA 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 131 N -0.74 2.28 0.29 0.00 0.00 -1.26 -3.02 120.51 118.05 1g9l n ALA 131 Ca 0.05 -0.13 0.18 0.00 0.00 0.00 0.00 53.44 53.54 1g9l n ALA 131 Cb 0.02 -1.34 0.78 0.00 0.00 0.00 0.00 19.45 18.91 1g9l n ALA 131 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1g9l h GLN 132 N 0.00 0.00 -0.06 0.00 7.50 -1.95 -2.13 115.11 118.47 1g9l h GLN 132 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1g9l h GLN 132 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1g9l h GLN 132 CO 0.00 0.00 0.00 1.17 -1.50 0.00 0.00 178.83 178.50 1g9l n LYS 133 N -3.10 1.19 -0.05 1.46 3.00 -1.17 -3.52 118.16 115.97 1g9l n LYS 133 Ca -0.00 -0.29 -0.19 0.00 -0.00 0.00 0.00 58.31 57.83 1g9l n LYS 133 Cb 0.27 -1.19 -0.13 0.00 0.00 0.00 0.00 35.03 33.97 1g9l n LYS 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1g9l n ALA 134 N -0.38 1.15 1.38 3.14 0.00 -0.80 -4.19 120.51 120.81 1g9l n ALA 134 Ca 0.09 -0.83 0.14 0.00 0.00 0.00 0.00 53.44 52.84 1g9l n ALA 134 Cb 0.10 -0.44 0.60 0.00 0.00 0.00 0.00 19.45 19.71 1g9l n ALA 134 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1g9l n VAL 135 N -3.35 0.00 -2.96 0.00 0.24 -1.23 -4.81 118.33 106.23 1g9l n VAL 135 Ca -0.37 -0.06 -0.41 0.00 -2.04 0.00 0.00 64.34 61.47 1g9l n VAL 135 Cb 1.03 -0.10 -0.05 0.00 -1.47 0.00 0.00 33.84 33.25 1g9l n VAL 135 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1g9l s ASN 136 N -2.51 6.89 -0.34 -1.34 -0.87 -1.24 -5.02 114.94 110.50 1g9l s ASN 136 Ca 0.28 1.09 -0.24 0.00 -1.57 0.00 0.00 52.86 52.42 1g9l s ASN 136 Cb 0.20 -2.42 0.01 0.00 -0.02 0.00 0.00 41.25 39.01 1g9l s ASN 136 CO 0.48 -0.35 0.81 -0.94 -2.57 0.00 0.00 177.10 174.53 1g9l s SER 137 N 1.15 6.61 -1.33 -1.22 1.04 -1.26 -4.97 113.70 113.72 1g9l s SER 137 Ca 0.36 0.50 -0.16 0.00 0.48 0.00 0.00 55.95 57.13 1g9l s SER 137 Cb -0.16 -2.41 0.08 0.00 0.10 0.00 0.00 66.02 63.63 1g9l s SER 137 CO 0.12 -0.71 1.85 0.00 0.98 0.00 0.00 173.24 175.48 1g9l n ALA 138 N 6.39 4.27 -0.69 5.32 0.00 -1.26 -4.69 120.51 129.85 1g9l n ALA 138 Ca 0.04 -3.94 0.04 0.00 0.00 0.00 0.00 53.44 49.58 1g9l n ALA 138 Cb 0.48 -3.48 0.34 0.00 0.00 0.00 0.00 19.45 16.79 1g9l n ALA 138 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1g9l n THR 139 N 5.61 2.48 -2.53 0.00 5.66 -1.26 -4.92 114.28 119.32 1g9l n THR 139 Ca 0.48 -1.27 -0.43 0.00 -3.05 0.00 0.00 64.05 59.78 1g9l n THR 139 Cb 0.43 -0.33 -0.02 0.00 -1.55 0.00 0.00 70.33 68.86 1g9l n THR 139 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1g9l s GLY 140 N -0.71 1.30 -0.17 1.09 0.00 -1.26 -5.01 107.32 102.56 1g9l s GLY 140 Ca 0.48 -0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.78 1g9l s GLY 140 CO 0.14 2.49 0.29 0.14 0.00 0.00 0.00 173.10 176.16 1g9l s VAL 141 N 4.54 5.30 -0.10 1.40 1.01 -1.26 -5.03 120.40 126.26 1g9l s VAL 141 Ca 0.51 0.54 -0.33 0.00 0.00 0.00 0.00 61.98 62.70 1g9l s VAL 141 Cb -0.10 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 1g9l s VAL 141 CO 0.29 0.37 1.94 -2.65 0.00 0.00 0.00 175.10 175.05 1g9l n PRO 142 N 3.72 2.21 -1.36 2.72 -0.02 -1.26 -4.86 135.00 136.15 1g9l n PRO 142 Ca -0.12 0.79 -0.23 0.00 -2.02 0.00 0.00 63.50 61.92 1g9l n PRO 142 Cb 0.52 -2.73 -0.09 0.00 -0.02 0.00 0.00 33.50 31.17 1g9l n PRO 142 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1g9l n THR 143 N 5.54 3.25 -0.43 3.45 -2.24 -1.26 -5.34 114.28 117.24 1g9l n THR 143 Ca 0.24 -2.59 0.00 0.00 -2.27 0.00 0.00 64.05 59.43 1g9l n THR 143 Cb 0.32 -1.71 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 1g9l n THR 143 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02