#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g9l s PRO 2 N 0.00 -1.01 0.00 1.61 0.04 -1.26 -4.93 135.00 129.45 1g9l s PRO 2 Ca 0.00 0.12 0.29 0.00 0.04 0.00 0.00 61.00 61.45 1g9l s PRO 2 Cb 0.00 -1.60 1.23 0.00 0.04 0.00 0.00 34.50 34.17 1g9l s PRO 2 CO 0.00 -3.61 1.92 1.28 0.04 0.00 0.00 177.00 176.63 1g9l n LEU 3 N -4.72 0.04 -4.69 -3.56 4.32 -1.26 -4.75 117.00 102.37 1g9l n LEU 3 Ca 0.11 0.44 -0.36 0.00 -0.02 0.00 0.00 56.01 56.17 1g9l n LEU 3 Cb 0.59 -0.45 -0.09 0.00 -1.62 0.00 0.00 43.42 41.85 1g9l n LEU 3 CO 0.48 0.01 -0.15 -0.83 -1.22 0.00 0.00 177.39 175.68 1g9l s GLY 4 N -2.94 2.02 0.61 -0.72 0.00 -1.26 -5.09 107.32 99.94 1g9l s GLY 4 Ca 0.16 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.12 1g9l s GLY 4 CO 0.53 0.34 0.84 -0.45 0.00 0.00 0.00 173.10 174.36 1g9l s SER 5 N 0.79 4.96 0.00 1.64 0.15 -1.26 -4.97 113.70 115.00 1g9l s SER 5 Ca 0.09 -0.20 0.29 0.00 0.70 0.00 0.00 55.95 56.83 1g9l s SER 5 Cb -0.13 -0.49 1.70 0.00 -1.71 0.00 0.00 66.02 65.39 1g9l s SER 5 CO 0.02 -1.39 2.06 0.00 1.20 0.00 0.00 173.24 175.14 1g9l n ALA 6 N -2.49 2.56 -1.04 5.45 0.00 -1.26 -2.79 120.51 120.95 1g9l n ALA 6 Ca 0.11 -0.18 0.07 0.00 0.00 0.00 0.00 53.44 53.45 1g9l n ALA 6 Cb 0.60 -1.47 0.25 0.00 0.00 0.00 0.00 19.45 18.83 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 -1.04 3.11 0.00 0.00 0.00 -1.26 -4.53 120.51 116.79 1g9l n ALA 7 Ca 0.21 -2.40 0.00 0.00 0.00 0.00 0.00 53.44 51.25 1g9l n ALA 7 Cb 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.59 0.79 -3.53 0.00 0.00 -1.14 -5.01 120.51 111.02 1g9l n ALA 8 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.37 1g9l n ALA 8 Cb 0.91 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 20.23 1g9l n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 9 N -0.82 1.18 -0.29 0.00 0.00 -1.12 -5.01 121.76 115.71 1g9l s ALA 9 Ca 0.00 -1.94 -0.11 0.00 0.00 0.00 0.00 51.96 49.91 1g9l s ALA 9 Cb 0.00 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.43 1g9l s ALA 9 CO 0.00 -2.04 0.18 0.99 0.00 0.00 0.00 175.76 174.89 1g9l s THR 10 N 1.03 5.12 -2.00 0.00 2.01 -1.26 -4.76 115.64 115.78 1g9l s THR 10 Ca 0.17 0.01 0.14 0.00 0.31 0.00 0.00 61.69 62.32 1g9l s THR 10 Cb -0.23 -3.48 0.39 0.00 0.01 0.00 0.00 72.50 69.20 1g9l s THR 10 CO -0.03 0.20 1.34 -0.81 -0.69 0.00 0.00 174.62 174.63 1g9l n PRO 11 N 5.04 0.73 -1.83 4.92 -0.04 -1.26 -4.38 135.00 138.17 1g9l n PRO 11 Ca -0.14 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.91 1g9l n PRO 11 Cb 0.51 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.67 1g9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g9l n ALA 12 N -0.80 6.04 0.08 0.55 0.00 -1.26 -4.61 120.51 120.52 1g9l n ALA 12 Ca 0.10 -3.95 -0.08 0.00 0.00 0.00 0.00 53.44 49.51 1g9l n ALA 12 Cb 0.05 -3.28 -0.05 0.00 0.00 0.00 0.00 19.45 16.17 1g9l n ALA 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1g9l h VAL 13 N 3.58 1.58 -4.11 0.00 2.07 -1.97 -3.46 116.25 113.94 1g9l h VAL 13 Ca 0.60 -2.94 -0.45 0.00 0.82 0.00 0.00 66.70 64.73 1g9l h VAL 13 Cb 0.53 2.65 0.15 0.00 -1.52 0.00 0.00 31.29 33.09 1g9l h VAL 13 CO 1.76 0.85 0.35 -0.13 0.02 0.00 0.00 177.57 180.42 1g9l s ARG 14 N -2.98 0.73 -0.96 1.57 0.52 -1.26 -4.93 118.95 111.64 1g9l s ARG 14 Ca -0.01 -0.11 -0.06 0.00 -0.52 0.00 0.00 55.73 55.02 1g9l s ARG 14 Cb 0.10 -1.83 -0.02 0.00 0.52 0.00 0.00 34.95 33.72 1g9l s ARG 14 CO 0.83 -2.40 2.86 2.41 0.02 0.00 0.00 175.30 179.01 1g9l n THR 15 N -3.83 4.16 -3.72 0.02 -1.04 -1.26 -4.85 114.28 103.77 1g9l n THR 15 Ca 0.12 -3.04 -0.38 0.00 -2.04 0.00 0.00 64.05 58.71 1g9l n THR 15 Cb 0.60 -2.09 -0.11 0.00 -1.82 0.00 0.00 70.33 66.90 1g9l n THR 15 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1g9l s VAL 16 N -0.13 3.57 0.79 12.58 0.11 -1.26 -5.10 120.40 130.96 1g9l s VAL 16 Ca 0.62 -1.90 -0.13 0.00 -2.93 0.00 0.00 61.98 57.63 1g9l s VAL 16 Cb 0.25 -3.38 0.20 0.00 -1.53 0.00 0.00 36.38 31.92 1g9l s VAL 16 CO -0.10 -0.66 0.73 -0.81 -3.33 0.00 0.00 175.10 170.93 1g9l n PRO 17 N 4.70 -2.30 0.00 1.54 -0.04 -1.26 -5.03 135.00 132.61 1g9l n PRO 17 Ca -0.05 -1.16 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1g9l n PRO 17 Cb 0.41 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.81 1g9l n PRO 17 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1g9l n GLN 18 N -3.63 0.21 -2.03 0.54 3.00 -1.26 -4.99 117.38 109.21 1g9l n GLN 18 Ca 0.10 0.00 -0.38 0.00 -0.01 0.00 0.00 57.00 56.71 1g9l n GLN 18 Cb 0.39 0.00 0.01 0.00 0.00 0.00 0.00 30.24 30.64 1g9l n GLN 18 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 1g9l s TYR 19 N -0.59 2.63 -0.44 1.08 6.14 -1.26 -4.98 117.35 119.92 1g9l s TYR 19 Ca 0.00 1.45 -0.16 0.00 0.64 0.00 0.00 57.07 58.99 1g9l s TYR 19 Cb 0.00 -3.60 0.04 0.00 0.42 0.00 0.00 41.96 38.82 1g9l s TYR 19 CO 0.00 -2.17 0.41 0.21 0.64 0.00 0.00 175.55 174.65 1g9l s LYS 20 N -2.71 3.04 0.00 4.97 2.20 -1.26 -4.91 119.74 121.07 1g9l s LYS 20 Ca 0.66 -0.97 0.31 0.00 -0.36 0.00 0.00 55.97 55.60 1g9l s LYS 20 Cb -0.35 -4.02 1.79 0.00 -1.51 0.00 0.00 37.83 33.74 1g9l s LYS 20 CO 0.42 -0.90 2.15 0.98 -0.36 0.00 0.00 175.35 177.63 1g9l n TYR 21 N 5.46 0.00 -2.16 4.03 4.19 -1.26 -4.85 117.16 122.58 1g9l n TYR 21 Ca -0.09 0.00 -0.41 0.00 3.31 0.00 0.00 57.90 60.71 1g9l n TYR 21 Cb 0.46 -0.04 -0.02 0.00 0.49 0.00 0.00 39.34 40.23 1g9l n TYR 21 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1g9l s ALA 22 N -2.08 3.50 0.00 2.98 0.00 -1.26 -4.94 121.76 119.96 1g9l s ALA 22 Ca 0.44 1.21 0.11 0.00 0.00 0.00 0.00 51.96 53.72 1g9l s ALA 22 Cb 0.21 -3.47 -0.19 0.00 0.00 0.00 0.00 23.12 19.67 1g9l s ALA 22 CO 0.37 -0.58 0.98 0.00 0.00 0.00 0.00 175.76 176.52 1g9l h ALA 23 N 3.73 0.59 -2.82 0.00 0.00 -2.06 -3.41 119.26 115.30 1g9l h ALA 23 Ca -0.48 -1.11 -0.78 0.00 0.00 0.00 0.00 54.91 52.54 1g9l h ALA 23 Cb 1.22 0.18 -0.27 0.00 0.00 0.00 0.00 17.79 18.92 1g9l h ALA 23 CO 0.68 1.31 0.11 0.20 0.00 0.00 0.00 179.25 181.55 1g9l s GLY 24 N -4.87 2.74 -0.10 0.00 0.00 -1.26 -4.80 107.32 99.03 1g9l s GLY 24 Ca -0.02 -3.41 0.17 0.00 0.00 0.00 0.00 44.72 41.46 1g9l s GLY 24 CO 0.82 1.26 0.38 1.55 0.00 0.00 0.00 173.10 177.10 1g9l n VAL 25 N 3.72 1.31 -2.93 1.40 3.14 -1.26 -4.80 118.33 118.91 1g9l n VAL 25 Ca 0.15 -0.79 -0.43 0.00 -2.96 0.00 0.00 64.34 60.31 1g9l n VAL 25 Cb 0.45 -0.63 -0.05 0.00 -1.06 0.00 0.00 33.84 32.56 1g9l n VAL 25 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 1g9l s ARG 26 N -2.67 3.22 -0.18 1.45 3.52 -1.26 -4.90 118.95 118.12 1g9l s ARG 26 Ca -0.07 -0.59 -0.22 0.00 -0.13 0.00 0.00 55.73 54.72 1g9l s ARG 26 Cb 0.08 -4.11 -0.19 0.00 -1.56 0.00 0.00 34.95 29.16 1g9l s ARG 26 CO 0.83 -1.51 0.32 -0.91 -0.81 0.00 0.00 175.30 173.23 1g9l h ASN 27 N 9.30 0.00 -2.08 -2.12 2.35 -2.02 -3.44 115.58 117.56 1g9l h ASN 27 Ca -0.27 -0.58 -0.52 0.00 -0.55 0.00 0.00 56.30 54.38 1g9l h ASN 27 Cb 1.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.43 1g9l h ASN 27 CO 1.08 1.28 1.42 -2.16 -1.65 0.00 0.00 177.43 177.39 1g9l s PRO 28 N -2.29 2.73 0.46 0.81 0.04 -1.26 -4.97 135.00 130.53 1g9l s PRO 28 Ca -0.24 1.16 0.05 0.00 0.04 0.00 0.00 61.00 62.01 1g9l s PRO 28 Cb 0.03 -4.38 0.08 0.00 0.04 0.00 0.00 34.50 30.27 1g9l s PRO 28 CO 0.57 -2.57 0.63 0.94 0.04 0.00 0.00 177.00 176.61 1g9l n GLN 29 N 8.90 0.54 0.13 4.56 -0.06 -1.26 -5.02 117.38 125.16 1g9l n GLN 29 Ca 0.26 -2.23 0.01 0.00 -2.00 0.00 0.00 57.00 53.04 1g9l n GLN 29 Cb 0.51 -0.26 0.03 0.00 -4.06 0.00 0.00 30.24 26.45 1g9l n GLN 29 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 1g9l h GLN 30 N 0.00 0.00 -2.61 3.69 4.20 -2.01 -3.47 115.11 114.91 1g9l h GLN 30 Ca -0.21 0.00 -0.37 0.00 0.06 0.00 0.00 58.65 58.13 1g9l h GLN 30 Cb 0.92 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.64 1g9l h GLN 30 CO 0.28 0.60 -0.43 0.72 -0.67 0.00 0.00 178.83 179.33 1g9l n HIS 31 N -3.29 -0.83 -3.37 2.96 8.25 -1.26 -4.94 115.22 112.74 1g9l n HIS 31 Ca 0.01 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.08 1g9l n HIS 31 Cb 0.76 -3.46 -0.09 0.00 1.12 0.00 0.00 29.99 28.31 1g9l n HIS 31 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1g9l s LEU 32 N -5.45 4.07 -0.99 2.41 2.96 -1.26 -5.02 118.68 115.41 1g9l s LEU 32 Ca 0.00 0.26 -0.06 0.00 -0.22 0.00 0.00 54.13 54.11 1g9l s LEU 32 Cb 0.00 -2.44 0.25 0.00 0.50 0.00 0.00 46.19 44.49 1g9l s LEU 32 CO 0.00 -0.21 0.93 0.20 -1.32 0.00 0.00 176.35 175.95 1g9l s ASN 33 N 1.64 6.65 0.77 3.68 0.02 -1.26 -5.05 114.94 121.40 1g9l s ASN 33 Ca 0.15 -3.58 -0.04 0.00 -1.02 0.00 0.00 52.86 48.37 1g9l s ASN 33 Cb -0.16 -2.07 0.14 0.00 0.02 0.00 0.00 41.25 39.18 1g9l s ASN 33 CO 0.10 -0.26 1.06 0.00 0.02 0.00 0.00 177.10 178.02 1g9l s ALA 34 N -1.19 3.38 -0.15 0.60 0.00 -1.26 -5.07 121.76 118.06 1g9l s ALA 34 Ca 0.28 -1.58 -0.16 0.00 0.00 0.00 0.00 51.96 50.50 1g9l s ALA 34 Cb -0.09 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1g9l s ALA 34 CO -0.10 -1.65 0.41 1.14 0.00 0.00 0.00 175.76 175.56 1g9l s GLN 35 N -5.30 4.27 -0.91 0.00 -2.07 -1.26 -5.02 119.66 109.37 1g9l s GLN 35 Ca 0.67 0.29 -0.24 0.00 -1.82 0.00 0.00 55.36 54.26 1g9l s GLN 35 Cb -0.05 -3.46 0.02 0.00 -1.09 0.00 0.00 33.01 28.42 1g9l s GLN 35 CO 0.46 0.12 1.58 -1.25 -1.32 0.00 0.00 175.29 174.88 1g9l s PRO 36 N 0.80 3.19 -0.48 9.60 0.04 -1.26 -4.96 135.00 141.93 1g9l s PRO 36 Ca 0.21 -0.63 -0.23 0.00 0.04 0.00 0.00 61.00 60.39 1g9l s PRO 36 Cb -0.14 -5.02 0.03 0.00 0.04 0.00 0.00 34.50 29.41 1g9l s PRO 36 CO 0.08 -2.54 0.82 -1.14 0.04 0.00 0.00 177.00 174.26 1g9l s GLN 37 N 5.78 3.38 0.06 4.56 0.74 -1.26 -5.04 119.66 127.88 1g9l s GLN 37 Ca 0.52 -0.18 -0.17 0.00 0.05 0.00 0.00 55.36 55.58 1g9l s GLN 37 Cb -0.04 -3.98 -0.06 0.00 1.10 0.00 0.00 33.01 30.03 1g9l s GLN 37 CO -0.01 -1.22 0.50 0.54 -0.55 0.00 0.00 175.29 174.55 1g9l s VAL 38 N 3.44 4.87 -0.90 1.34 0.11 -1.26 -5.03 120.40 122.97 1g9l s VAL 38 Ca 0.29 1.00 -0.01 0.00 -2.93 0.00 0.00 61.98 60.34 1g9l s VAL 38 Cb -0.13 -3.80 0.26 0.00 -1.53 0.00 0.00 36.38 31.19 1g9l s VAL 38 CO 0.21 0.51 1.02 0.41 -3.33 0.00 0.00 175.10 173.92 1g9l n THR 39 N 1.59 3.66 0.02 5.04 -1.04 -1.26 -4.79 114.28 117.50 1g9l n THR 39 Ca -0.11 -5.42 -0.09 0.00 -2.04 0.00 0.00 64.05 56.39 1g9l n THR 39 Cb 0.52 -2.21 -0.13 0.00 -1.82 0.00 0.00 70.33 66.68 1g9l n THR 39 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1g9l h MET 40 N 5.33 0.02 -5.77 -2.82 4.05 -2.05 -3.49 114.93 110.20 1g9l h MET 40 Ca 0.19 -0.04 -0.11 0.00 -0.28 0.00 0.00 59.70 59.45 1g9l h MET 40 Cb 0.71 0.02 0.01 0.00 -0.80 0.00 0.00 31.60 31.53 1g9l h MET 40 CO 1.01 0.75 -0.87 1.04 0.23 0.00 0.00 176.91 179.07 1g9l n GLN 41 N -3.20 -2.18 -2.63 0.39 6.02 -1.26 -4.87 117.38 109.65 1g9l n GLN 41 Ca -0.10 1.87 -0.43 0.00 -0.01 0.00 0.00 57.00 58.33 1g9l n GLN 41 Cb 1.01 -3.93 -0.02 0.00 1.02 0.00 0.00 30.24 28.31 1g9l n GLN 41 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1g9l s GLN 42 N -2.16 3.71 1.00 -1.09 1.11 -1.26 -5.03 119.66 115.95 1g9l s GLN 42 Ca 0.21 0.53 -0.16 0.00 0.01 0.00 0.00 55.36 55.95 1g9l s GLN 42 Cb -0.04 -3.91 0.20 0.00 -1.01 0.00 0.00 33.01 28.25 1g9l s GLN 42 CO 0.70 -1.36 1.20 -1.25 0.01 0.00 0.00 175.29 174.59 1g9l s PRO 43 N 4.37 0.35 0.87 2.91 0.04 -1.26 -5.07 135.00 137.22 1g9l s PRO 43 Ca 0.47 -0.08 -0.13 0.00 0.04 0.00 0.00 61.00 61.30 1g9l s PRO 43 Cb -0.07 -1.78 0.14 0.00 0.04 0.00 0.00 34.50 32.82 1g9l s PRO 43 CO 0.31 -2.66 1.23 0.00 0.04 0.00 0.00 177.00 175.92 1g9l s ALA 44 N -3.45 2.53 1.02 8.56 0.00 -1.26 -5.08 121.76 124.08 1g9l s ALA 44 Ca 0.69 -0.96 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 1g9l s ALA 44 Cb -0.09 -2.82 0.06 0.00 0.00 0.00 0.00 23.12 20.27 1g9l s ALA 44 CO 0.54 -1.99 0.30 1.33 0.00 0.00 0.00 175.76 175.94 1g9l n VAL 45 N -3.48 0.00 -3.44 0.00 0.24 -1.26 -4.99 118.33 105.40 1g9l n VAL 45 Ca 0.12 -0.19 -0.42 0.00 -2.04 0.00 0.00 64.34 61.80 1g9l n VAL 45 Cb 0.60 -1.59 -0.03 0.00 -1.47 0.00 0.00 33.84 31.36 1g9l n VAL 45 CO 0.00 0.00 0.00 -1.38 -2.14 0.00 0.00 176.83 173.31 1g9l s HIS 46 N -1.62 4.04 -0.71 6.34 -3.43 -1.26 -4.90 115.29 113.75 1g9l s HIS 46 Ca 0.18 -2.68 0.02 0.00 -0.80 0.00 0.00 55.06 51.78 1g9l s HIS 46 Cb -0.01 -3.64 0.35 0.00 -1.43 0.00 0.00 32.58 27.86 1g9l s HIS 46 CO 0.13 -0.89 1.40 1.33 -2.00 0.00 0.00 174.74 174.71 1g9l n VAL 47 N 2.85 3.82 0.07 -5.38 0.24 -1.26 -4.75 118.33 113.92 1g9l n VAL 47 Ca 0.21 -5.33 -0.09 0.00 -2.04 0.00 0.00 64.34 57.08 1g9l n VAL 47 Cb 0.40 -1.38 0.02 0.00 -1.47 0.00 0.00 33.84 31.40 1g9l n VAL 47 CO 0.00 0.00 0.00 -0.61 -2.14 0.00 0.00 176.83 174.08 1g9l h GLN 48 N 3.22 0.31 0.00 7.34 5.75 -1.98 -3.31 115.11 126.44 1g9l h GLN 48 Ca 0.35 -0.28 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1g9l h GLN 48 Cb 0.46 0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.08 1g9l h GLN 48 CO 1.03 0.95 0.00 0.41 -2.65 0.00 0.00 178.83 178.57 1g9l n GLY 49 N 0.67 0.42 3.17 2.39 0.00 -1.26 -4.62 105.19 105.96 1g9l n GLY 49 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 1g9l n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g9l n GLN 50 N -1.36 3.26 0.02 1.61 6.02 -1.26 -4.77 117.38 120.90 1g9l n GLN 50 Ca 0.00 -3.32 -0.13 0.00 -0.01 0.00 0.00 57.00 53.55 1g9l n GLN 50 Cb 0.00 -3.20 -0.09 0.00 1.02 0.00 0.00 30.24 27.97 1g9l n GLN 50 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1g9l h GLU 51 N 6.64 -0.10 -6.09 -1.09 5.08 -1.82 -3.44 114.58 113.76 1g9l h GLU 51 Ca 0.43 0.01 -0.57 0.00 -1.00 0.00 0.00 59.36 58.23 1g9l h GLU 51 Cb 0.76 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 1g9l h GLU 51 CO 1.55 0.36 0.40 -1.25 -1.00 0.00 0.00 179.01 179.07 1g9l s PRO 52 N -4.13 4.38 0.40 2.33 0.04 -1.26 -4.95 135.00 131.80 1g9l s PRO 52 Ca -0.15 1.15 -0.16 0.00 0.04 0.00 0.00 61.00 61.87 1g9l s PRO 52 Cb 0.01 -3.54 -0.09 0.00 0.04 0.00 0.00 34.50 30.93 1g9l s PRO 52 CO 0.62 -0.24 0.84 -1.17 0.04 0.00 0.00 177.00 177.08 1g9l s LEU 53 N 1.82 3.92 0.00 -3.56 0.20 -1.26 -4.93 118.68 114.86 1g9l s LEU 53 Ca 0.42 1.41 0.00 0.00 0.69 0.00 0.00 54.13 56.65 1g9l s LEU 53 Cb -0.18 -4.26 0.00 0.00 -0.43 0.00 0.00 46.19 41.32 1g9l s LEU 53 CO 0.16 -0.34 0.00 0.35 -0.29 0.00 0.00 176.35 176.23 1g9l n THR 54 N -0.80 0.00 -0.20 3.68 -2.24 -1.26 -4.82 114.28 108.65 1g9l n THR 54 Ca 0.05 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1g9l n THR 54 Cb 0.54 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 69.01 1g9l n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g9l h ALA 55 N 2.00 1.42 -0.36 6.98 0.00 -1.59 -1.61 119.26 126.10 1g9l h ALA 55 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1g9l h ALA 55 Cb 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1g9l h ALA 55 CO 0.00 0.50 0.24 0.77 0.00 0.00 0.00 179.25 180.76 1g9l h SER 56 N 0.97 0.40 -0.89 0.00 0.02 -1.88 -0.55 113.55 111.63 1g9l h SER 56 Ca 0.25 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1g9l h SER 56 Cb -0.04 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.36 1g9l h SER 56 CO -0.05 0.29 0.53 0.24 -1.14 0.00 0.00 176.83 176.71 1g9l h MET 57 N 0.48 1.21 -0.34 3.45 2.07 -1.79 -1.98 114.93 118.02 1g9l h MET 57 Ca 0.14 -0.11 0.02 0.00 -2.07 0.00 0.00 59.70 57.68 1g9l h MET 57 Cb -0.04 -0.25 -0.03 0.00 -1.87 0.00 0.00 31.60 29.41 1g9l h MET 57 CO -0.04 0.85 0.17 -0.07 1.07 0.00 0.00 176.91 178.89 1g9l h LEU 58 N 1.23 0.25 -0.44 1.22 4.07 -0.66 -0.79 115.31 120.18 1g9l h LEU 58 Ca 0.32 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.30 1g9l h LEU 58 Cb -0.05 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.66 1g9l h LEU 58 CO -0.06 0.19 0.00 0.00 -1.08 0.00 0.00 178.44 177.49 1g9l n ALA 59 N -2.26 1.60 1.04 1.53 0.00 -0.27 -2.01 120.51 120.13 1g9l n ALA 59 Ca 0.00 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.60 1g9l n ALA 59 Cb 0.08 -1.31 0.58 0.00 0.00 0.00 0.00 19.45 18.80 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 -1.93 0.00 -3.13 0.00 2.88 -0.30 -3.79 113.62 107.36 1g9l n SER 60 Ca 0.02 0.15 -0.21 0.00 -1.33 0.00 0.00 58.87 57.51 1g9l n SER 60 Cb 0.19 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.24 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 -1.37 2.76 -0.01 -1.46 0.00 -0.85 -4.98 120.51 114.60 1g9l n ALA 61 Ca 0.09 -3.77 -0.09 0.00 0.00 0.00 0.00 53.44 49.68 1g9l n ALA 61 Cb 0.23 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 1g9l n ALA 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1g9l h PRO 62 N 3.05 -0.13 0.00 0.00 0.11 -1.74 -1.79 132.00 131.50 1g9l h PRO 62 Ca 0.11 0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.13 1g9l h PRO 62 Cb 0.84 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1g9l h PRO 62 CO 0.59 -0.09 -1.15 -1.00 -0.21 0.00 0.00 178.00 176.14 1g9l h PRO 63 N -0.13 0.00 0.00 1.05 0.13 -1.94 -3.44 132.00 127.67 1g9l h PRO 63 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1g9l h PRO 63 Cb 0.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.40 1g9l h PRO 63 CO -0.23 0.19 0.00 0.94 -0.23 0.00 0.00 178.00 178.67 1g9l n GLN 64 N -2.84 0.00 0.00 0.86 7.27 -1.16 -5.00 117.38 116.51 1g9l n GLN 64 Ca -0.05 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.02 1g9l n GLN 64 Cb 0.72 -0.03 0.00 0.00 2.41 0.00 0.00 30.24 33.34 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 0.00 0.00 0.00 3.69 -0.58 -0.98 -4.90 120.64 117.88 1g9l n GLU 65 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1g9l n GLU 65 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1g9l n GLU 65 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 1g9l n GLN 66 N 0.00 0.00 -0.14 3.49 7.27 -0.71 -4.04 117.38 123.24 1g9l n GLN 66 Ca 0.00 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.13 1g9l n GLN 66 Cb 0.00 -0.15 0.09 0.00 2.41 0.00 0.00 30.24 32.59 1g9l n GLN 66 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1g9l n LYS 67 N 0.00 1.21 -0.04 3.69 5.02 -1.26 -4.68 118.16 122.11 1g9l n LYS 67 Ca 0.00 -2.03 -0.06 0.00 -2.02 0.00 0.00 58.31 54.21 1g9l n LYS 67 Cb 0.00 -1.19 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1g9l n LYS 67 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1g9l n GLN 68 N -0.96 0.16 0.00 1.97 1.13 -1.26 -4.65 117.38 113.78 1g9l n GLN 68 Ca 0.10 0.05 0.12 0.00 -1.94 0.00 0.00 57.00 55.33 1g9l n GLN 68 Cb 0.59 -1.00 0.54 0.00 0.11 0.00 0.00 30.24 30.48 1g9l n GLN 68 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1g9l n MET 69 N -2.92 0.03 -0.35 -1.09 2.81 -1.26 -2.69 117.12 111.65 1g9l n MET 69 Ca -0.13 0.07 0.01 0.00 -1.81 0.00 0.00 57.70 55.84 1g9l n MET 69 Cb 0.62 -1.50 0.17 0.00 -0.71 0.00 0.00 33.22 31.80 1g9l n MET 69 CO 0.00 0.00 0.00 1.37 1.51 0.00 0.00 175.97 178.85 1g9l h LEU 70 N 0.00 1.05 -2.64 4.03 8.10 -1.83 -3.15 115.31 120.87 1g9l h LEU 70 Ca 0.00 -0.01 -0.15 0.00 0.11 0.00 0.00 57.88 57.84 1g9l h LEU 70 Cb 0.41 -0.24 -0.29 0.00 -0.44 0.00 0.00 40.66 40.11 1g9l h LEU 70 CO 0.00 0.71 -0.80 0.61 -4.11 0.00 0.00 178.44 174.85 1g9l n GLY 71 N -1.38 0.85 0.00 0.17 0.00 -1.24 -4.71 105.19 98.88 1g9l n GLY 71 Ca 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.33 0.49 0.00 1.61 -0.58 -1.09 -3.62 120.64 117.79 1g9l n GLU 72 Ca -0.02 -0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.72 1g9l n GLU 72 Cb 0.99 -0.07 0.00 0.00 -0.57 0.00 0.00 31.44 31.79 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1g9l n ARG 73 N -0.07 3.36 0.17 3.49 0.00 -1.22 -4.72 116.66 117.67 1g9l n ARG 73 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 1g9l n ARG 73 Cb 0.02 -0.57 0.20 0.00 0.00 0.00 0.00 32.46 32.11 1g9l n ARG 73 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1g9l h LEU 74 N 0.00 0.00 -0.78 6.15 3.38 -1.83 -3.35 115.31 118.87 1g9l h LEU 74 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 1g9l h LEU 74 Cb 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.62 1g9l h LEU 74 CO 0.00 0.42 -0.42 0.15 0.09 0.00 0.00 178.44 178.67 1g9l h PHE 75 N 0.00 -1.23 0.00 1.13 3.57 -1.90 0.64 116.94 119.15 1g9l h PHE 75 Ca -0.00 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1g9l h PHE 75 Cb 1.12 0.65 0.00 0.00 2.79 0.00 0.00 35.95 40.51 1g9l h PHE 75 CO 0.00 -0.40 0.01 -1.00 -2.23 0.00 0.00 178.31 174.69 1g9l h PRO 76 N -0.11 0.00 0.00 6.41 0.13 -1.94 -1.65 132.00 134.84 1g9l h PRO 76 Ca 0.25 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.30 1g9l h PRO 76 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1g9l h PRO 76 CO -0.83 0.00 -2.00 1.28 -0.23 0.00 0.00 178.00 176.23 1g9l n LEU 77 N -2.79 0.08 -0.14 1.56 4.77 0.19 -4.30 117.00 116.37 1g9l n LEU 77 Ca -0.02 0.03 -0.06 0.00 -0.03 0.00 0.00 56.01 55.93 1g9l n LEU 77 Cb 0.07 0.10 0.12 0.00 -2.33 0.00 0.00 43.42 41.38 1g9l n LEU 77 CO 0.16 0.09 0.87 0.40 -1.33 0.00 0.00 177.39 177.58 1g9l h ILE 78 N 0.00 1.25 0.00 -0.08 1.08 0.45 -1.79 117.51 118.42 1g9l h ILE 78 Ca -0.11 -1.05 0.00 0.00 -0.39 0.00 0.00 64.86 63.31 1g9l h ILE 78 Cb 1.26 0.84 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1g9l h ILE 78 CO 0.01 0.37 0.27 1.56 -0.69 0.00 0.00 178.15 179.68 1g9l h GLN 79 N 0.82 0.00 0.11 2.37 4.20 -1.73 0.42 115.11 121.29 1g9l h GLN 79 Ca 0.16 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.59 1g9l h GLN 79 Cb 0.48 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1g9l h GLN 79 CO 0.02 0.00 -1.33 0.00 -0.67 0.00 0.00 178.83 176.85 1g9l h ALA 80 N 1.39 0.20 0.20 3.87 0.00 -1.56 -3.25 119.26 120.11 1g9l h ALA 80 Ca 0.00 -0.98 -0.30 0.00 0.00 0.00 0.00 54.91 53.62 1g9l h ALA 80 Cb 0.55 0.10 0.03 0.00 0.00 0.00 0.00 17.79 18.47 1g9l h ALA 80 CO 0.00 1.08 -1.31 0.52 0.00 0.00 0.00 179.25 179.54 1g9l h MET 81 N 0.06 0.53 -6.23 0.00 2.86 -0.26 -3.47 114.93 108.43 1g9l h MET 81 Ca -0.16 -0.84 -0.60 0.00 -2.06 0.00 0.00 59.70 56.04 1g9l h MET 81 Cb 1.97 0.30 -0.13 0.00 0.06 0.00 0.00 31.60 33.80 1g9l h MET 81 CO 0.18 1.40 -0.73 -1.01 1.06 0.00 0.00 176.91 177.80 1g9l s HIS 82 N -2.69 2.40 -0.76 -0.22 4.02 -0.52 -5.02 115.29 112.50 1g9l s HIS 82 Ca -0.10 -0.30 -0.26 0.00 1.02 0.00 0.00 55.06 55.42 1g9l s HIS 82 Cb 0.04 -1.05 -0.22 0.00 -1.02 0.00 0.00 32.58 30.32 1g9l s HIS 82 CO 0.93 0.68 1.89 -0.35 1.02 0.00 0.00 174.74 178.91 1g9l n PRO 83 N -0.64 0.75 -3.57 8.40 -0.04 -1.26 -3.94 135.00 134.69 1g9l n PRO 83 Ca -0.06 -1.74 -0.25 0.00 -0.04 0.00 0.00 63.50 61.41 1g9l n PRO 83 Cb 0.59 -3.29 -0.02 0.00 -0.04 0.00 0.00 33.50 30.74 1g9l n PRO 83 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1g9l n THR 84 N 7.56 -0.64 1.55 0.52 -2.24 -1.23 -4.78 114.28 115.02 1g9l n THR 84 Ca 0.45 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.36 1g9l n THR 84 Cb 0.44 -1.25 0.55 0.00 -2.10 0.00 0.00 70.33 67.97 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1g9l n LEU 85 N -3.68 1.15 0.00 3.22 7.99 -1.25 -4.84 117.00 119.59 1g9l n LEU 85 Ca 0.03 -0.43 0.00 0.00 -0.01 0.00 0.00 56.01 55.60 1g9l n LEU 85 Cb 0.51 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 1g9l n LEU 85 CO 0.57 0.21 0.00 0.00 -1.51 0.00 0.00 177.39 176.66 1g9l n ALA 86 N -0.07 0.00 0.00 -1.18 0.00 -1.26 -4.58 120.51 113.42 1g9l n ALA 86 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1g9l n ALA 86 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 1.43 2.36 0.00 0.00 0.00 -1.26 -4.40 105.19 103.32 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 0.00 0.00 1.61 4.81 -1.26 -4.95 118.16 116.37 1g9l n LYS 88 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1g9l n LYS 88 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1g9l n LYS 88 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 1g9l n ILE 89 N -0.10 0.00 -0.34 3.15 5.41 -1.26 0.17 119.36 126.40 1g9l n ILE 89 Ca 0.00 0.95 0.08 0.00 1.00 0.00 0.00 62.75 64.78 1g9l n ILE 89 Cb 0.00 -1.68 0.27 0.00 -0.71 0.00 0.00 39.64 37.53 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 0.90 -0.03 1.39 2.02 -1.91 0.67 112.91 115.96 1g9l h THR 90 Ca 0.00 -0.32 0.01 0.00 0.77 0.00 0.00 66.41 66.87 1g9l h THR 90 Cb 0.00 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.31 1g9l h THR 90 CO 0.00 0.17 0.02 1.23 0.37 0.00 0.00 175.52 177.31 1g9l h GLY 91 N 0.92 0.00 1.50 2.16 0.00 -1.58 0.10 103.07 106.17 1g9l h GLY 91 Ca 0.48 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.57 1g9l h GLY 91 CO -0.25 0.00 -1.01 1.98 0.00 0.00 0.00 176.54 177.27 1g9l h MET 92 N 0.00 0.44 0.00 4.80 -1.53 0.76 -3.15 114.93 116.26 1g9l h MET 92 Ca 0.01 -0.51 0.00 0.00 -3.44 0.00 0.00 59.70 55.77 1g9l h MET 92 Cb 0.06 0.15 0.00 0.00 -0.55 0.00 0.00 31.60 31.26 1g9l h MET 92 CO -0.00 1.16 0.04 1.28 0.14 0.00 0.00 176.91 179.53 1g9l n LEU 93 N -3.74 0.00 -1.46 3.39 7.99 0.35 0.12 117.00 123.65 1g9l n LEU 93 Ca -0.08 0.30 -0.07 0.00 -0.01 0.00 0.00 56.01 56.16 1g9l n LEU 93 Cb 0.87 -0.30 0.22 0.00 -0.11 0.00 0.00 43.42 44.10 1g9l n LEU 93 CO 0.52 -0.30 0.87 0.18 -1.51 0.00 0.00 177.39 177.15 1g9l n LEU 94 N -1.28 4.92 0.00 2.23 7.99 -1.18 -4.01 117.00 125.67 1g9l n LEU 94 Ca 0.00 -3.54 0.00 0.00 -0.01 0.00 0.00 56.01 52.46 1g9l n LEU 94 Cb 0.04 -0.68 0.00 0.00 -0.11 0.00 0.00 43.42 42.67 1g9l n LEU 94 CO 0.00 1.06 0.00 -1.84 -1.51 0.00 0.00 177.39 175.10 1g9l n GLU 95 N -0.90 0.00 0.00 3.23 0.28 0.33 -5.10 120.64 118.48 1g9l n GLU 95 Ca 0.38 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.38 1g9l n GLU 95 Cb 1.20 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.07 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 0.19 -4.64 119.36 118.75 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 0.14 -0.02 0.00 0.00 -0.00 0.00 0.00 39.64 39.76 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 -4.77 116.55 119.83 1g9l n ASP 97 Ca 0.00 0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1g9l n ASP 97 Cb 0.00 -0.19 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.18 0.00 0.09 1.67 4.13 -1.26 -4.68 115.26 114.03 1g9l n ASN 98 Ca 0.00 0.00 -0.07 0.00 1.68 0.00 0.00 54.58 56.19 1g9l n ASN 98 Cb 0.01 -0.01 0.02 0.00 -1.54 0.00 0.00 39.78 38.26 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 0.20 1.12 6.41 4.64 -1.98 -2.58 113.55 121.36 1g9l h SER 99 Ca 0.00 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.09 1g9l h SER 99 Cb 0.00 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1g9l h SER 99 CO 0.00 0.93 -0.36 -0.33 -0.87 0.00 0.00 176.83 176.20 1g9l h GLU 100 N 0.09 0.00 0.00 4.77 5.08 -1.92 0.62 114.58 123.22 1g9l h GLU 100 Ca -0.03 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.26 1g9l h GLU 100 Cb 1.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 1g9l h GLU 100 CO 0.12 0.36 -0.35 1.25 -1.00 0.00 0.00 179.01 179.39 1g9l h LEU 101 N 0.00 0.00 0.04 1.33 5.85 -1.65 -2.13 115.31 118.75 1g9l h LEU 101 Ca -0.00 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.43 1g9l h LEU 101 Cb 1.02 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 1g9l h LEU 101 CO 0.05 0.35 -1.54 0.18 -0.34 0.00 0.00 178.44 177.14 1g9l n LEU 102 N -3.35 2.10 -0.11 2.25 4.32 -0.99 -3.91 117.00 117.31 1g9l n LEU 102 Ca 0.01 0.35 -0.05 0.00 -0.02 0.00 0.00 56.01 56.30 1g9l n LEU 102 Cb 0.56 -1.01 0.15 0.00 -1.62 0.00 0.00 43.42 41.50 1g9l n LEU 102 CO 0.37 0.46 0.85 -0.74 -1.22 0.00 0.00 177.39 177.11 1g9l h HIS 103 N -0.68 0.85 -0.91 -1.77 2.76 -0.97 -2.28 115.15 112.15 1g9l h HIS 103 Ca -0.39 -0.13 0.01 0.00 -2.20 0.00 0.00 60.37 57.66 1g9l h HIS 103 Cb 1.54 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 30.22 1g9l h HIS 103 CO 0.08 0.81 0.60 0.00 -1.30 0.00 0.00 177.93 178.12 1g9l h MET 104 N 0.73 1.20 0.00 5.26 -0.00 -1.57 0.53 114.93 121.08 1g9l h MET 104 Ca 0.14 -0.08 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 1g9l h MET 104 Cb 0.50 -0.27 0.00 0.00 -0.00 0.00 0.00 31.60 31.83 1g9l h MET 104 CO 0.03 0.80 0.00 1.28 -0.00 0.00 0.00 176.91 179.02 1g9l n LEU 105 N -4.39 0.52 -0.25 -0.10 4.77 -1.04 -3.07 117.00 113.44 1g9l n LEU 105 Ca 0.11 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.70 1g9l n LEU 105 Cb 0.02 -0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 40.70 1g9l n LEU 105 CO 0.37 -0.18 0.21 -1.84 -1.33 0.00 0.00 177.39 174.62 1g9l n GLU 106 N -2.00 2.06 -3.78 3.23 0.28 -0.26 -4.82 120.64 115.36 1g9l n GLU 106 Ca 0.05 -0.61 -0.13 0.00 -0.16 0.00 0.00 57.16 56.32 1g9l n GLU 106 Cb 0.37 -1.13 -0.11 0.00 1.43 0.00 0.00 31.44 31.99 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1g9l s SER 107 N -1.57 -0.27 0.00 -1.84 0.15 0.17 -5.02 113.70 105.31 1g9l s SER 107 Ca 0.09 0.53 0.23 0.00 0.70 0.00 0.00 55.95 57.50 1g9l s SER 107 Cb 0.10 0.54 1.35 0.00 -1.71 0.00 0.00 66.02 66.29 1g9l s SER 107 CO 0.31 -0.09 1.87 -0.81 1.20 0.00 0.00 173.24 175.72 1g9l n PRO 108 N 2.98 1.00 0.00 5.44 -0.04 -1.26 -3.11 135.00 140.01 1g9l n PRO 108 Ca -0.13 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1g9l n PRO 108 Cb 0.58 -1.35 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.85 1.40 -0.01 0.54 1.02 -1.26 -4.65 120.64 116.83 1g9l n GLU 109 Ca 0.17 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.18 1g9l n GLU 109 Cb 0.08 -0.88 -0.10 0.00 -0.02 0.00 0.00 31.44 30.52 1g9l n GLU 109 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1g9l h SER 110 N 0.00 -0.03 -1.00 1.62 0.02 -1.79 0.17 113.55 112.55 1g9l h SER 110 Ca 0.00 -0.57 0.26 0.00 -0.84 0.00 0.00 61.79 60.63 1g9l h SER 110 Cb 0.00 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.48 1g9l h SER 110 CO 0.00 0.57 0.67 0.25 -1.14 0.00 0.00 176.83 177.18 1g9l h LEU 111 N -0.64 0.31 0.00 5.07 6.46 -1.70 0.55 115.31 125.36 1g9l h LEU 111 Ca -0.00 0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1g9l h LEU 111 Cb 0.60 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.52 1g9l h LEU 111 CO 0.01 0.09 -0.28 -0.09 -0.62 0.00 0.00 178.44 177.54 1g9l h ARG 112 N 0.29 0.00 -0.85 1.25 2.43 -1.81 -2.65 114.38 113.04 1g9l h ARG 112 Ca 0.53 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.86 1g9l h ARG 112 Cb 1.53 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.02 1g9l h ARG 112 CO -0.18 0.00 0.56 0.77 -1.51 0.00 0.00 179.97 179.61 1g9l h SER 113 N -1.00 0.52 1.07 -3.80 0.02 -0.40 0.28 113.55 110.25 1g9l h SER 113 Ca 0.00 0.04 -0.17 0.00 -0.84 0.00 0.00 61.79 60.82 1g9l h SER 113 Cb 0.28 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1g9l h SER 113 CO 0.00 0.25 -0.80 0.11 -1.14 0.00 0.00 176.83 175.25 1g9l h LYS 114 N 0.55 0.00 0.03 3.45 1.79 -0.07 -2.18 116.57 120.13 1g9l h LYS 114 Ca 0.43 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.90 1g9l h LYS 114 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1g9l h LYS 114 CO -0.18 0.80 -0.01 0.28 -1.08 0.00 0.00 179.45 179.26 1g9l h VAL 115 N 0.00 1.35 -0.90 0.50 2.07 -0.27 0.40 116.25 119.40 1g9l h VAL 115 Ca -0.01 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.28 1g9l h VAL 115 Cb 1.56 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 33.46 1g9l h VAL 115 CO 0.10 0.32 0.59 -0.78 0.02 0.00 0.00 177.57 177.82 1g9l h ASP 116 N -0.59 1.00 0.32 0.57 3.58 -0.69 0.18 116.42 120.78 1g9l h ASP 116 Ca -0.00 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.28 1g9l h ASP 116 Cb 0.55 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1g9l h ASP 116 CO 0.01 0.70 -0.62 -0.33 -2.88 0.00 0.00 179.24 176.12 1g9l h GLU 117 N 1.17 0.29 -0.01 0.28 5.08 -1.38 -2.61 114.58 117.40 1g9l h GLU 117 Ca 0.35 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1g9l h GLU 117 Cb -0.05 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 1g9l h GLU 117 CO -0.09 0.81 -0.27 0.00 -1.00 0.00 0.00 179.01 178.46 1g9l h ALA 118 N 1.14 1.55 0.12 3.43 0.00 0.16 -2.56 119.26 123.09 1g9l h ALA 118 Ca -0.01 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1g9l h ALA 118 Cb 1.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1g9l h ALA 118 CO 0.10 0.34 -0.20 0.28 0.00 0.00 0.00 179.25 179.77 1g9l h VAL 119 N 0.01 0.55 -0.38 0.00 2.07 -0.34 0.93 116.25 119.10 1g9l h VAL 119 Ca -0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1g9l h VAL 119 Cb 0.48 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1g9l h VAL 119 CO 0.04 0.00 0.42 0.00 0.02 0.00 0.00 177.57 178.04 1g9l h ALA 120 N 0.42 2.07 0.04 1.67 0.00 -1.42 0.55 119.26 122.59 1g9l h ALA 120 Ca 0.02 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.63 1g9l h ALA 120 Cb 0.40 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1g9l h ALA 120 CO -0.10 -0.61 -1.56 0.28 0.00 0.00 0.00 179.25 177.25 1g9l h VAL 121 N 0.00 1.06 -0.33 0.00 2.07 -0.66 -2.80 116.25 115.58 1g9l h VAL 121 Ca 0.18 -2.82 -0.17 0.00 0.82 0.00 0.00 66.70 64.71 1g9l h VAL 121 Cb 1.01 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 33.37 1g9l h VAL 121 CO -0.00 0.70 -0.44 0.17 0.02 0.00 0.00 177.57 178.02 1g9l h LEU 122 N 0.03 0.94 -0.79 2.57 8.10 0.55 -0.63 115.31 126.07 1g9l h LEU 122 Ca -0.24 -0.46 -0.10 0.00 0.11 0.00 0.00 57.88 57.20 1g9l h LEU 122 Cb 1.97 -0.27 -0.01 0.00 -0.44 0.00 0.00 40.66 41.91 1g9l h LEU 122 CO 0.11 1.24 -0.45 0.06 -4.11 0.00 0.00 178.44 175.29 1g9l h GLN 123 N 0.70 0.00 -0.07 0.17 3.07 -0.54 0.45 115.11 118.89 1g9l h GLN 123 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.78 1g9l h GLN 123 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.59 1g9l h GLN 123 CO 0.10 0.45 0.00 0.00 0.09 0.00 0.00 178.83 179.48 1g9l n ALA 124 N -2.32 2.57 0.00 0.06 0.00 -1.03 -2.36 120.51 117.43 1g9l n ALA 124 Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1g9l n ALA 124 Cb 0.56 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.09 0.00 0.00 0.00 -0.00 -0.27 -4.60 115.22 110.43 1g9l n HIS 125 Ca 0.18 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.36 1g9l n HIS 125 Cb 0.31 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.18 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 1g9l n GLN 126 N -1.52 0.00 -0.04 1.57 1.13 0.16 -4.56 117.38 114.11 1g9l n GLN 126 Ca 0.00 0.09 0.04 0.00 -1.94 0.00 0.00 57.00 55.19 1g9l n GLN 126 Cb 0.28 -0.44 0.16 0.00 0.11 0.00 0.00 30.24 30.36 1g9l n GLN 126 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g9l n ALA 127 N -1.41 2.51 -1.00 -1.58 0.00 -1.19 -4.49 120.51 113.34 1g9l n ALA 127 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 1g9l n ALA 127 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.27 2.55 -0.32 0.00 2.85 -0.99 -4.79 118.16 117.18 1g9l n LYS 128 Ca 0.06 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.30 1g9l n LYS 128 Cb 0.10 0.00 0.09 0.00 -0.65 0.00 0.00 35.03 34.57 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 0.00 1.76 0.00 -1.58 4.71 -1.26 -4.39 120.64 119.88 1g9l n GLU 129 Ca 0.00 -0.91 0.00 0.00 -0.01 0.00 0.00 57.16 56.24 1g9l n GLU 129 Cb 0.00 -1.54 0.00 0.00 -1.01 0.00 0.00 31.44 28.89 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1g9l n ALA 130 N 0.10 1.95 -0.41 0.62 0.00 -1.26 -4.11 120.51 117.40 1g9l n ALA 130 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.49 1g9l n ALA 130 Cb 0.69 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.17 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 0.15 4.25 -0.91 0.00 0.00 -1.26 -4.48 120.51 118.26 1g9l n ALA 131 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1g9l n ALA 131 Cb 0.15 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.43 1g9l n ALA 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1g9l n GLN 132 N 0.69 0.00 -0.04 0.00 6.02 -1.26 -4.82 117.38 117.97 1g9l n GLN 132 Ca 0.15 0.05 -0.01 0.00 -0.01 0.00 0.00 57.00 57.18 1g9l n GLN 132 Cb 0.61 -0.55 -0.00 0.00 1.02 0.00 0.00 30.24 31.31 1g9l n GLN 132 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1g9l h LYS 133 N 0.00 0.00 -6.25 -1.09 1.57 -1.97 -3.45 116.57 105.39 1g9l h LYS 133 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 1g9l h LYS 133 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1g9l h LYS 133 CO 0.00 0.00 1.05 0.00 -0.57 0.00 0.00 179.45 179.93 1g9l s ALA 134 N -2.76 3.49 -0.23 3.86 0.00 -1.26 -4.90 121.76 119.97 1g9l s ALA 134 Ca -0.03 0.60 -0.18 0.00 0.00 0.00 0.00 51.96 52.36 1g9l s ALA 134 Cb 0.00 -3.75 -0.15 0.00 0.00 0.00 0.00 23.12 19.22 1g9l s ALA 134 CO 0.04 -1.56 -0.06 0.28 0.00 0.00 0.00 175.76 174.46 1g9l n VAL 135 N 5.83 1.52 -2.20 0.00 0.31 -1.26 -4.51 118.33 118.01 1g9l n VAL 135 Ca 0.17 -0.14 -0.41 0.00 -0.01 0.00 0.00 64.34 63.96 1g9l n VAL 135 Cb 0.44 -2.02 -0.03 0.00 -0.91 0.00 0.00 33.84 31.32 1g9l n VAL 135 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1g9l s ASN 136 N -6.97 5.78 -0.84 4.52 2.20 -1.26 -4.88 114.94 113.49 1g9l s ASN 136 Ca -0.32 0.46 -0.02 0.00 -0.94 0.00 0.00 52.86 52.04 1g9l s ASN 136 Cb 0.09 -2.54 0.32 0.00 -2.00 0.00 0.00 41.25 37.12 1g9l s ASN 136 CO 0.52 -1.95 2.07 -1.54 -2.94 0.00 0.00 177.10 173.26 1g9l n SER 137 N 10.83 7.44 -4.65 3.54 3.41 -1.26 -4.99 113.62 127.93 1g9l n SER 137 Ca 0.17 -3.76 -0.42 0.00 -0.26 0.00 0.00 58.87 54.59 1g9l n SER 137 Cb 0.50 -1.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.32 1g9l n SER 137 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g9l s ALA 138 N -3.88 3.52 0.74 7.33 0.00 -1.26 -5.00 121.76 123.22 1g9l s ALA 138 Ca 0.51 0.87 -0.02 0.00 0.00 0.00 0.00 51.96 53.32 1g9l s ALA 138 Cb 0.40 -3.79 0.14 0.00 0.00 0.00 0.00 23.12 19.88 1g9l s ALA 138 CO -0.37 -1.57 1.02 0.95 0.00 0.00 0.00 175.76 175.80 1g9l s THR 139 N 4.45 2.10 -0.21 0.00 -4.23 -1.26 -5.06 115.64 111.44 1g9l s THR 139 Ca 0.75 -0.55 -0.21 0.00 -1.18 0.00 0.00 61.69 60.50 1g9l s THR 139 Cb -0.32 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.94 1g9l s THR 139 CO 0.30 0.00 0.65 -0.83 -0.54 0.00 0.00 174.62 174.21 1g9l s GLY 140 N -4.76 2.00 -0.16 3.99 0.00 -1.26 -4.97 107.32 102.16 1g9l s GLY 140 Ca 0.67 -0.27 -0.23 0.00 0.00 0.00 0.00 44.72 44.89 1g9l s GLY 140 CO 0.45 1.38 0.48 -2.08 0.00 0.00 0.00 173.10 173.33 1g9l h VAL 141 N 5.24 1.28 -3.73 1.40 2.07 -2.05 -3.47 116.25 116.99 1g9l h VAL 141 Ca -0.30 -2.12 -0.57 0.00 0.82 0.00 0.00 66.70 64.53 1g9l h VAL 141 Cb 1.14 2.58 0.17 0.00 -1.52 0.00 0.00 31.29 33.65 1g9l h VAL 141 CO 0.78 0.43 0.20 -2.65 0.02 0.00 0.00 177.57 176.36 1g9l n PRO 142 N -4.56 0.87 -0.11 1.57 -0.02 -1.26 -4.97 135.00 126.52 1g9l n PRO 142 Ca -0.17 0.34 -0.15 0.00 -2.02 0.00 0.00 63.50 61.51 1g9l n PRO 142 Cb 0.50 -2.25 -0.10 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.92 1.27 -0.42 3.45 -2.24 -1.26 -5.19 114.28 107.97 1g9l n THR 143 Ca 0.14 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1g9l n THR 143 Cb 0.48 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1g9l n THR 143 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02