#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 0.00 -5.13 1.61 0.13 -2.12 -3.40 132.00 123.09 1g9l h PRO 2 Ca 0.00 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.47 1g9l h PRO 2 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 1g9l h PRO 2 CO 0.00 0.07 -0.10 -0.48 -0.23 0.00 0.00 178.00 177.26 1g9l s LEU 3 N -6.65 4.53 0.00 1.56 0.05 -1.26 -4.91 118.68 112.00 1g9l s LEU 3 Ca -0.02 -0.29 0.23 0.00 0.05 0.00 0.00 54.13 54.10 1g9l s LEU 3 Cb 0.12 -2.52 0.10 0.00 -2.05 0.00 0.00 46.19 41.83 1g9l s LEU 3 CO 0.54 -0.54 1.14 0.61 -0.55 0.00 0.00 176.35 177.54 1g9l n GLY 4 N 4.95 -0.85 3.59 -3.48 0.00 -1.26 -4.88 105.19 103.26 1g9l n GLY 4 Ca -0.05 -0.52 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.86 5.42 -0.57 1.61 0.15 -1.26 -5.06 113.70 111.13 1g9l s SER 5 Ca 0.12 0.01 -0.01 0.00 0.70 0.00 0.00 55.95 56.77 1g9l s SER 5 Cb 0.17 -1.93 0.15 0.00 -1.71 0.00 0.00 66.02 62.70 1g9l s SER 5 CO 0.74 0.15 0.37 0.00 1.20 0.00 0.00 173.24 175.69 1g9l s ALA 6 N 0.51 3.46 0.43 5.45 0.00 -1.26 -5.08 121.76 125.26 1g9l s ALA 6 Ca 0.02 -3.15 0.08 0.00 0.00 0.00 0.00 51.96 48.91 1g9l s ALA 6 Cb -0.13 -2.52 0.00 0.00 0.00 0.00 0.00 23.12 20.47 1g9l s ALA 6 CO 0.01 -2.04 0.52 0.00 0.00 0.00 0.00 175.76 174.25 1g9l s ALA 7 N 0.08 4.39 0.65 0.00 0.00 -1.26 -5.11 121.76 120.51 1g9l s ALA 7 Ca 0.16 -1.75 -0.12 0.00 0.00 0.00 0.00 51.96 50.24 1g9l s ALA 7 Cb -0.21 -1.42 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 1g9l s ALA 7 CO -0.03 -0.29 1.05 0.00 0.00 0.00 0.00 175.76 176.49 1g9l s ALA 8 N -2.41 2.82 1.03 0.00 0.00 -1.26 -5.05 121.76 116.90 1g9l s ALA 8 Ca 0.53 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 52.46 1g9l s ALA 8 Cb -0.08 -3.16 0.21 0.00 0.00 0.00 0.00 23.12 20.10 1g9l s ALA 8 CO 0.31 -0.96 1.09 0.00 0.00 0.00 0.00 175.76 176.20 1g9l s ALA 9 N -2.96 0.71 0.28 0.00 0.00 -1.26 -4.76 121.76 113.76 1g9l s ALA 9 Ca 0.58 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.87 1g9l s ALA 9 Cb -0.13 -3.12 -0.10 0.00 0.00 0.00 0.00 23.12 19.77 1g9l s ALA 9 CO 0.50 -3.03 1.19 0.95 0.00 0.00 0.00 175.76 175.38 1g9l s THR 10 N -2.91 3.24 0.52 0.00 -4.23 -1.26 -3.77 115.64 107.22 1g9l s THR 10 Ca 0.66 1.20 -0.17 0.00 -1.18 0.00 0.00 61.69 62.20 1g9l s THR 10 Cb -0.19 -3.76 -0.08 0.00 1.34 0.00 0.00 72.50 69.81 1g9l s THR 10 CO 0.58 0.27 0.99 -2.16 -0.54 0.00 0.00 174.62 173.76 1g9l s PRO 11 N -1.31 3.89 -0.31 3.99 0.04 -1.26 -5.07 135.00 134.98 1g9l s PRO 11 Ca 0.48 1.00 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1g9l s PRO 11 Cb -0.35 -2.13 0.29 0.00 0.04 0.00 0.00 34.50 32.35 1g9l s PRO 11 CO 0.44 -0.32 1.80 0.00 0.04 0.00 0.00 177.00 178.96 1g9l n ALA 12 N -1.56 4.79 0.17 8.56 0.00 -1.25 -4.25 120.51 126.98 1g9l n ALA 12 Ca 0.07 -1.71 0.08 0.00 0.00 0.00 0.00 53.44 51.87 1g9l n ALA 12 Cb 0.54 -1.34 0.08 0.00 0.00 0.00 0.00 19.45 18.73 1g9l n ALA 12 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1g9l h VAL 13 N 0.81 0.33 -3.63 0.00 3.04 -1.97 -3.43 116.25 111.40 1g9l h VAL 13 Ca 0.33 -1.49 -0.64 0.00 -1.01 0.00 0.00 66.70 63.88 1g9l h VAL 13 Cb 1.35 2.09 -0.15 0.00 -2.01 0.00 0.00 31.29 32.57 1g9l h VAL 13 CO 0.74 0.19 -0.11 -0.60 -1.01 0.00 0.00 177.57 176.78 1g9l s ARG 14 N -3.12 3.72 -0.13 4.17 3.00 -1.26 -5.06 118.95 120.27 1g9l s ARG 14 Ca 0.04 -0.12 -0.01 0.00 -1.00 0.00 0.00 55.73 54.64 1g9l s ARG 14 Cb 0.07 -3.77 -0.02 0.00 0.00 0.00 0.00 34.95 31.23 1g9l s ARG 14 CO 0.72 -0.54 -0.09 0.95 0.00 0.00 0.00 175.30 176.34 1g9l s THR 15 N 2.27 3.45 -0.18 4.11 -4.23 -1.26 -4.86 115.64 114.94 1g9l s THR 15 Ca 0.17 -0.53 -0.11 0.00 -1.18 0.00 0.00 61.69 60.04 1g9l s THR 15 Cb -0.16 -2.47 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 1g9l s THR 15 CO 0.12 0.52 0.19 0.54 -0.54 0.00 0.00 174.62 175.45 1g9l s VAL 16 N 0.16 5.38 1.40 2.29 0.11 -1.26 -5.09 120.40 123.38 1g9l s VAL 16 Ca -0.05 0.32 -0.21 0.00 -2.93 0.00 0.00 61.98 59.12 1g9l s VAL 16 Cb -0.14 -3.52 0.36 0.00 -1.53 0.00 0.00 36.38 31.54 1g9l s VAL 16 CO 0.04 0.43 0.91 -2.65 -3.33 0.00 0.00 175.10 170.50 1g9l n PRO 17 N 3.46 -4.18 -3.23 1.54 -0.02 -1.26 -4.98 135.00 126.33 1g9l n PRO 17 Ca -0.15 -1.23 -0.39 0.00 -2.02 0.00 0.00 63.50 59.72 1g9l n PRO 17 Cb 0.52 -2.00 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 1g9l n PRO 17 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1g9l s GLN 18 N -4.84 4.29 0.13 -0.52 0.74 -1.26 -4.95 119.66 113.24 1g9l s GLN 18 Ca 0.68 0.70 0.22 0.00 0.05 0.00 0.00 55.36 57.02 1g9l s GLN 18 Cb -0.17 -3.33 0.89 0.00 1.10 0.00 0.00 33.01 31.50 1g9l s GLN 18 CO 0.60 0.40 1.69 0.66 -0.55 0.00 0.00 175.29 178.09 1g9l n TYR 19 N 2.61 0.45 -2.03 1.67 4.01 -1.26 -4.73 117.16 117.88 1g9l n TYR 19 Ca -0.08 0.16 -0.28 0.00 -0.16 0.00 0.00 57.90 57.54 1g9l n TYR 19 Cb 0.51 -0.76 0.14 0.00 -0.31 0.00 0.00 39.34 38.92 1g9l n TYR 19 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1g9l s LYS 20 N -3.12 1.32 0.39 -0.72 1.02 -1.26 -4.95 119.74 112.42 1g9l s LYS 20 Ca 0.08 -0.32 0.28 0.00 0.02 0.00 0.00 55.97 56.03 1g9l s LYS 20 Cb 0.12 -1.97 1.25 0.00 -0.52 0.00 0.00 37.83 36.70 1g9l s LYS 20 CO 0.42 -1.93 1.85 -0.92 -0.92 0.00 0.00 175.35 173.85 1g9l h TYR 21 N -1.22 0.00 -2.24 3.18 3.20 -2.06 -3.36 116.97 114.47 1g9l h TYR 21 Ca -0.44 0.00 -0.74 0.00 3.14 0.00 0.00 58.73 60.69 1g9l h TYR 21 Cb 1.27 0.00 -0.18 0.00 1.54 0.00 0.00 36.73 39.36 1g9l h TYR 21 CO -0.46 0.00 1.29 0.00 -1.64 0.00 0.00 178.16 177.36 1g9l s ALA 22 N -3.52 4.01 -0.43 1.82 0.00 -1.26 -4.98 121.76 117.39 1g9l s ALA 22 Ca 0.02 -3.36 -0.28 0.00 0.00 0.00 0.00 51.96 48.34 1g9l s ALA 22 Cb 0.09 -4.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.09 1g9l s ALA 22 CO 0.42 -2.76 1.83 0.00 0.00 0.00 0.00 175.76 175.26 1g9l s ALA 23 N 1.51 2.59 -0.24 0.00 0.00 -1.26 -4.71 121.76 119.66 1g9l s ALA 23 Ca 0.42 -0.05 0.01 0.00 0.00 0.00 0.00 51.96 52.33 1g9l s ALA 23 Cb -0.03 -4.12 0.28 0.00 0.00 0.00 0.00 23.12 19.24 1g9l s ALA 23 CO -0.01 -3.11 1.60 0.41 0.00 0.00 0.00 175.76 174.65 1g9l n GLY 24 N 5.52 3.41 0.38 0.00 0.00 -1.26 -4.18 105.19 109.07 1g9l n GLY 24 Ca 0.23 -0.67 0.11 0.00 0.00 0.00 0.00 46.02 45.69 1g9l n GLY 24 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1g9l n VAL 25 N -0.06 0.11 -0.93 1.61 3.14 -1.26 -4.25 118.33 116.70 1g9l n VAL 25 Ca 0.28 -0.23 -0.13 0.00 -2.96 0.00 0.00 64.34 61.30 1g9l n VAL 25 Cb 0.90 0.19 -0.05 0.00 -1.06 0.00 0.00 33.84 33.82 1g9l n VAL 25 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1g9l n ARG 26 N -0.03 1.75 -2.36 1.45 5.12 -1.26 -4.94 116.66 116.39 1g9l n ARG 26 Ca 0.17 -1.13 -0.40 0.00 -1.93 0.00 0.00 57.85 54.55 1g9l n ARG 26 Cb 0.26 -1.65 -0.03 0.00 -1.16 0.00 0.00 32.46 29.88 1g9l n ARG 26 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1g9l s ASN 27 N 1.20 7.01 0.00 0.55 -0.87 -1.26 -4.91 114.94 116.66 1g9l s ASN 27 Ca 0.37 2.38 0.00 0.00 -1.57 0.00 0.00 52.86 54.05 1g9l s ASN 27 Cb 0.22 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.82 1g9l s ASN 27 CO -0.05 -0.33 0.74 -0.81 -2.57 0.00 0.00 177.10 174.08 1g9l n PRO 28 N 0.88 1.00 -0.52 -0.60 -0.04 -1.26 -4.23 135.00 130.23 1g9l n PRO 28 Ca 0.00 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.37 1g9l n PRO 28 Cb 0.44 -1.26 0.06 0.00 -0.04 0.00 0.00 33.50 32.70 1g9l n PRO 28 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1g9l n GLN 29 N 0.24 1.48 0.00 0.54 0.00 -1.26 -4.13 117.38 114.26 1g9l n GLN 29 Ca 0.00 -1.10 0.00 0.00 -0.00 0.00 0.00 57.00 55.90 1g9l n GLN 29 Cb 0.37 -1.43 0.00 0.00 0.00 0.00 0.00 30.24 29.18 1g9l n GLN 29 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1g9l n GLN 30 N 0.08 0.00 0.00 3.69 7.27 -1.26 -4.82 117.38 122.33 1g9l n GLN 30 Ca 0.22 0.20 0.00 0.00 0.07 0.00 0.00 57.00 57.49 1g9l n GLN 30 Cb 0.84 -0.78 0.00 0.00 2.41 0.00 0.00 30.24 32.71 1g9l n GLN 30 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1g9l n HIS 31 N -1.11 0.00 -3.46 3.69 8.25 -1.26 -5.00 115.22 116.33 1g9l n HIS 31 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1g9l n HIS 31 Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 1g9l n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1g9l s LEU 32 N -2.46 4.08 0.26 2.41 1.43 -1.26 -5.07 118.68 118.07 1g9l s LEU 32 Ca 0.00 0.28 -0.24 0.00 -1.03 0.00 0.00 54.13 53.15 1g9l s LEU 32 Cb 0.00 -2.36 -0.09 0.00 0.03 0.00 0.00 46.19 43.77 1g9l s LEU 32 CO 0.00 -0.10 0.84 0.54 0.23 0.00 0.00 176.35 177.86 1g9l s ASN 33 N 1.40 7.25 0.00 2.29 2.20 -1.26 -4.40 114.94 122.41 1g9l s ASN 33 Ca 0.14 1.66 0.26 0.00 -0.94 0.00 0.00 52.86 53.97 1g9l s ASN 33 Cb -0.15 -2.51 1.37 0.00 -2.00 0.00 0.00 41.25 37.96 1g9l s ASN 33 CO 0.09 0.02 1.90 0.00 -2.94 0.00 0.00 177.10 176.17 1g9l n ALA 34 N 0.80 2.63 -2.59 3.54 0.00 -1.26 -4.77 120.51 118.85 1g9l n ALA 34 Ca -0.01 -0.25 -0.43 0.00 0.00 0.00 0.00 53.44 52.75 1g9l n ALA 34 Cb 0.50 -1.34 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 1g9l n ALA 34 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1g9l s GLN 35 N -1.97 3.76 0.67 0.00 -0.21 -1.26 -4.86 119.66 115.79 1g9l s GLN 35 Ca 0.38 0.45 -0.14 0.00 0.02 0.00 0.00 55.36 56.07 1g9l s GLN 35 Cb 0.18 -3.83 0.00 0.00 1.00 0.00 0.00 33.01 30.37 1g9l s GLN 35 CO 0.30 -0.99 1.08 -1.25 -2.12 0.00 0.00 175.29 172.32 1g9l s PRO 36 N 3.46 2.84 0.85 2.91 0.04 -1.26 -5.05 135.00 138.79 1g9l s PRO 36 Ca 0.37 1.23 -0.13 0.00 0.04 0.00 0.00 61.00 62.50 1g9l s PRO 36 Cb -0.12 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.57 1g9l s PRO 36 CO 0.20 -1.20 1.22 -0.65 0.04 0.00 0.00 177.00 176.61 1g9l s GLN 37 N -4.42 1.54 0.04 4.56 -0.21 -1.26 -5.04 119.66 114.88 1g9l s GLN 37 Ca 0.63 -0.08 -0.23 0.00 0.02 0.00 0.00 55.36 55.70 1g9l s GLN 37 Cb -0.18 -1.93 -0.06 0.00 1.00 0.00 0.00 33.01 31.85 1g9l s GLN 37 CO 0.46 -1.85 0.70 0.54 -2.12 0.00 0.00 175.29 173.02 1g9l s VAL 38 N -3.67 4.75 -0.70 1.09 0.11 -1.26 -4.98 120.40 115.74 1g9l s VAL 38 Ca 0.66 1.49 -0.01 0.00 -2.93 0.00 0.00 61.98 61.19 1g9l s VAL 38 Cb -0.09 -4.05 0.41 0.00 -1.53 0.00 0.00 36.38 31.13 1g9l s VAL 38 CO 0.50 0.41 1.93 0.35 -3.33 0.00 0.00 175.10 174.96 1g9l n THR 39 N 2.58 3.48 -1.96 5.04 -2.24 -1.26 -4.98 114.28 114.94 1g9l n THR 39 Ca -0.05 -3.66 0.00 0.00 -2.27 0.00 0.00 64.05 58.07 1g9l n THR 39 Cb 0.50 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.54 1g9l n THR 39 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 1g9l n MET 40 N -0.73 0.86 -2.70 -0.78 1.56 -1.26 -4.69 117.12 109.38 1g9l n MET 40 Ca 0.57 0.00 -0.02 0.00 -0.27 0.00 0.00 57.70 57.98 1g9l n MET 40 Cb 0.51 0.00 -0.02 0.00 2.15 0.00 0.00 33.22 35.87 1g9l n MET 40 CO 0.00 0.00 0.00 0.94 -0.73 0.00 0.00 175.97 176.18 1g9l n GLN 41 N -0.82 -3.82 -2.92 2.12 -0.06 -1.26 -4.64 117.38 105.98 1g9l n GLN 41 Ca 0.00 2.98 -0.09 0.00 -2.00 0.00 0.00 57.00 57.89 1g9l n GLN 41 Cb 0.00 -5.09 0.01 0.00 -4.06 0.00 0.00 30.24 21.10 1g9l n GLN 41 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1g9l n GLN 42 N 1.14 -2.51 -1.78 3.69 3.00 -1.26 -4.86 117.38 114.79 1g9l n GLN 42 Ca -0.16 2.14 -0.42 0.00 -0.01 0.00 0.00 57.00 58.55 1g9l n GLN 42 Cb 0.26 -4.75 -0.03 0.00 0.00 0.00 0.00 30.24 25.72 1g9l n GLN 42 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 1g9l s PRO 43 N -2.16 4.16 0.26 -1.09 0.02 -1.26 -4.93 135.00 130.00 1g9l s PRO 43 Ca 0.17 2.50 -0.30 0.00 0.02 0.00 0.00 61.00 63.39 1g9l s PRO 43 Cb -0.04 -3.66 -0.11 0.00 0.02 0.00 0.00 34.50 30.72 1g9l s PRO 43 CO 0.73 -0.82 1.55 0.00 -0.33 0.00 0.00 177.00 178.12 1g9l s ALA 44 N 2.90 3.72 -1.13 -1.55 0.00 -1.26 -4.94 121.76 119.49 1g9l s ALA 44 Ca 0.79 1.47 -0.09 0.00 0.00 0.00 0.00 51.96 54.14 1g9l s ALA 44 Cb -0.43 -3.62 0.27 0.00 0.00 0.00 0.00 23.12 19.33 1g9l s ALA 44 CO 0.35 -0.88 1.25 1.55 0.00 0.00 0.00 175.76 178.03 1g9l n VAL 45 N 2.46 4.64 -0.04 0.00 3.14 -1.26 -4.69 118.33 122.59 1g9l n VAL 45 Ca 0.08 -5.35 -0.09 0.00 -2.96 0.00 0.00 64.34 56.03 1g9l n VAL 45 Cb 0.38 -2.49 -0.03 0.00 -1.06 0.00 0.00 33.84 30.65 1g9l n VAL 45 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 1g9l n HIS 46 N 2.93 0.00 -4.15 1.45 -0.00 -1.26 -5.04 115.22 109.15 1g9l n HIS 46 Ca 0.27 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.67 1g9l n HIS 46 Cb 0.39 -0.35 -0.08 0.00 -0.00 0.00 0.00 29.99 29.95 1g9l n HIS 46 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1g9l s VAL 47 N -2.38 4.45 0.14 3.57 0.11 -1.26 -5.02 120.40 120.01 1g9l s VAL 47 Ca -0.17 -0.58 0.10 0.00 -2.93 0.00 0.00 61.98 58.40 1g9l s VAL 47 Cb 0.04 -3.04 -0.11 0.00 -1.53 0.00 0.00 36.38 31.74 1g9l s VAL 47 CO 0.23 0.30 1.43 0.06 -3.33 0.00 0.00 175.10 173.79 1g9l h GLN 48 N 3.99 0.00 -3.97 1.54 3.07 -1.98 -3.40 115.11 114.36 1g9l h GLN 48 Ca -0.48 0.00 -0.77 0.00 0.09 0.00 0.00 58.65 57.48 1g9l h GLN 48 Cb 1.18 0.00 -0.25 0.00 0.08 0.00 0.00 27.48 28.48 1g9l h GLN 48 CO 0.61 0.79 -0.09 0.20 0.09 0.00 0.00 178.83 180.44 1g9l s GLY 49 N -4.59 2.36 -0.70 0.06 0.00 -1.26 -5.01 107.32 98.18 1g9l s GLY 49 Ca 0.01 -2.91 -0.18 0.00 0.00 0.00 0.00 44.72 41.63 1g9l s GLY 49 CO 0.79 1.22 0.80 1.20 0.00 0.00 0.00 173.10 177.11 1g9l s GLN 50 N 0.90 3.25 -0.53 2.90 -0.21 -1.26 -5.01 119.66 119.69 1g9l s GLN 50 Ca 0.10 -1.61 -0.21 0.00 0.02 0.00 0.00 55.36 53.67 1g9l s GLN 50 Cb -0.21 -4.42 0.05 0.00 1.00 0.00 0.00 33.01 29.44 1g9l s GLN 50 CO -0.03 -1.55 0.76 -2.00 -2.12 0.00 0.00 175.29 170.36 1g9l s GLU 51 N 2.25 3.19 0.00 2.91 2.56 -1.26 -5.01 118.70 123.34 1g9l s GLU 51 Ca 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 54.97 54.45 1g9l s GLU 51 Cb -0.18 -4.10 0.00 0.00 2.00 0.00 0.00 34.13 31.85 1g9l s GLU 51 CO 0.01 -1.36 0.00 -0.35 -0.56 0.00 0.00 175.26 173.00 1g9l n PRO 52 N 6.72 0.00 -2.20 4.30 -0.04 -1.26 -4.94 135.00 137.58 1g9l n PRO 52 Ca -0.04 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.01 1g9l n PRO 52 Cb 0.46 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.89 1g9l n PRO 52 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1g9l s LEU 53 N 0.00 4.42 0.00 1.53 2.01 -1.26 -4.75 118.68 120.63 1g9l s LEU 53 Ca 0.00 2.45 -0.17 0.00 0.01 0.00 0.00 54.13 56.42 1g9l s LEU 53 Cb 0.00 -3.62 0.06 0.00 0.01 0.00 0.00 46.19 42.64 1g9l s LEU 53 CO 0.00 -0.53 0.80 0.41 1.01 0.00 0.00 176.35 178.04 1g9l n THR 54 N 2.33 0.00 -0.26 5.49 -1.04 -1.26 -4.88 114.28 114.66 1g9l n THR 54 Ca 0.05 -0.32 0.22 0.00 -2.04 0.00 0.00 64.05 61.96 1g9l n THR 54 Cb 0.42 0.52 0.55 0.00 -1.82 0.00 0.00 70.33 70.00 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 2.35 -0.08 2.41 0.00 -1.64 -0.51 119.26 123.79 1g9l h ALA 55 Ca -0.18 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1g9l h ALA 55 Cb 0.86 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1g9l h ALA 55 CO 0.25 -0.66 -0.04 0.77 0.00 0.00 0.00 179.25 179.57 1g9l h SER 56 N 0.33 0.17 -0.91 0.00 0.02 -1.87 -0.70 113.55 110.59 1g9l h SER 56 Ca 0.50 -0.42 0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1g9l h SER 56 Cb 1.39 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 63.83 1g9l h SER 56 CO -0.18 0.55 0.58 0.24 -1.14 0.00 0.00 176.83 176.88 1g9l h MET 57 N -0.21 1.06 -0.42 3.45 2.07 -1.44 -1.73 114.93 117.70 1g9l h MET 57 Ca 0.02 -0.06 -0.03 0.00 -2.07 0.00 0.00 59.70 57.55 1g9l h MET 57 Cb 0.49 -0.24 -0.02 0.00 -1.87 0.00 0.00 31.60 29.96 1g9l h MET 57 CO 0.01 0.70 0.14 -0.07 1.07 0.00 0.00 176.91 178.76 1g9l h LEU 58 N 1.09 0.61 0.00 1.22 3.38 -1.13 -1.67 115.31 118.81 1g9l h LEU 58 Ca 0.38 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1g9l h LEU 58 Cb 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1g9l h LEU 58 CO -0.15 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.03 1g9l n ALA 59 N -2.33 1.20 1.09 1.53 0.00 -0.28 -0.79 120.51 120.93 1g9l n ALA 59 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.56 1g9l n ALA 59 Cb 0.18 -1.07 0.50 0.00 0.00 0.00 0.00 19.45 19.06 1g9l n ALA 59 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1g9l n SER 60 N -1.49 0.26 -2.81 0.00 7.64 -0.63 -4.07 113.62 112.52 1g9l n SER 60 Ca 0.01 0.03 -0.17 0.00 1.01 0.00 0.00 58.87 59.75 1g9l n SER 60 Cb 0.05 -0.17 -0.00 0.00 -1.01 0.00 0.00 64.21 63.08 1g9l n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l n ALA 61 N -1.39 3.49 -2.81 -0.43 0.00 0.03 -4.75 120.51 114.65 1g9l n ALA 61 Ca 0.08 -3.63 -0.37 0.00 0.00 0.00 0.00 53.44 49.52 1g9l n ALA 61 Cb 0.32 -0.84 -0.12 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 -3.05 3.83 -0.47 0.00 0.04 -1.25 0.89 135.00 134.98 1g9l s PRO 62 Ca 0.37 -0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.05 1g9l s PRO 62 Cb 0.40 -3.49 0.58 0.00 0.04 0.00 0.00 34.50 32.03 1g9l s PRO 62 CO -0.06 -0.15 1.90 -0.35 0.04 0.00 0.00 177.00 178.38 1g9l n PRO 63 N 4.90 2.26 0.00 0.56 -0.04 -1.26 -5.03 135.00 136.39 1g9l n PRO 63 Ca -0.15 -2.86 0.00 0.00 -0.04 0.00 0.00 63.50 60.45 1g9l n PRO 63 Cb 0.52 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.85 1g9l n PRO 63 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1g9l n GLN 64 N -0.97 0.00 -0.58 0.54 0.00 0.26 -4.26 117.38 112.36 1g9l n GLN 64 Ca 0.57 0.01 0.08 0.00 -0.00 0.00 0.00 57.00 57.65 1g9l n GLN 64 Cb 1.38 -0.52 0.30 0.00 0.00 0.00 0.00 30.24 31.40 1g9l n GLN 64 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1g9l n GLU 65 N -0.03 3.51 -0.01 3.69 0.28 -0.13 -4.68 120.64 123.27 1g9l n GLU 65 Ca 0.00 -2.95 -0.09 0.00 -0.16 0.00 0.00 57.16 53.96 1g9l n GLU 65 Cb 0.00 -1.98 -0.03 0.00 1.43 0.00 0.00 31.44 30.87 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 -0.16 0.00 0.00 177.13 177.34 1g9l h GLN 66 N 2.45 -0.25 -1.02 3.44 -0.00 -1.04 0.43 115.11 119.12 1g9l h GLN 66 Ca 0.00 0.02 -0.58 0.00 -0.00 0.00 0.00 58.65 58.09 1g9l h GLN 66 Cb 1.61 0.06 -0.29 0.00 0.00 0.00 0.00 27.48 28.86 1g9l h GLN 66 CO 0.31 -0.16 0.74 0.36 0.00 0.00 0.00 178.83 180.07 1g9l n LYS 67 N -5.35 2.41 0.00 1.69 2.85 -1.26 -4.07 118.16 114.43 1g9l n LYS 67 Ca -0.02 -3.03 0.00 0.00 -1.05 0.00 0.00 58.31 54.21 1g9l n LYS 67 Cb 0.26 -2.19 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 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 -0.96 0.00 0.00 -1.58 1.13 -0.65 -4.82 117.38 110.50 1g9l n GLN 68 Ca 0.59 0.00 0.14 0.00 -1.94 0.00 0.00 57.00 55.79 1g9l n GLN 68 Cb 1.15 -0.18 0.68 0.00 0.11 0.00 0.00 30.24 32.00 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g9l n MET 69 N -2.66 0.22 -0.03 -1.09 0.00 0.05 -3.15 117.12 110.47 1g9l n MET 69 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 57.70 57.74 1g9l n MET 69 Cb 0.17 -1.50 0.37 0.00 0.00 0.00 0.00 33.22 32.26 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 0.00 0.52 -2.88 3.17 8.10 -1.74 -3.03 115.31 119.45 1g9l h LEU 70 Ca 0.00 -0.03 -0.15 0.00 0.11 0.00 0.00 57.88 57.81 1g9l h LEU 70 Cb 0.38 -0.13 -0.32 0.00 -0.44 0.00 0.00 40.66 40.15 1g9l h LEU 70 CO 0.00 0.43 -0.93 0.61 -4.11 0.00 0.00 178.44 174.44 1g9l n GLY 71 N -1.33 1.22 0.00 0.17 0.00 -1.24 -4.59 105.19 99.43 1g9l n GLY 71 Ca 0.03 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.28 1g9l n GLY 71 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1g9l n GLU 72 N 0.32 0.58 0.00 1.61 0.28 -1.19 -3.99 120.64 118.26 1g9l n GLU 72 Ca 0.06 -0.02 0.00 0.00 -0.16 0.00 0.00 57.16 57.05 1g9l n GLU 72 Cb 1.06 -0.19 0.00 0.00 1.43 0.00 0.00 31.44 33.74 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1g9l n ARG 73 N -0.09 1.78 0.08 3.44 0.00 -1.15 -4.71 116.66 116.01 1g9l n ARG 73 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 1g9l n ARG 73 Cb 0.06 -0.85 -0.07 0.00 0.00 0.00 0.00 32.46 31.60 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 0.12 -0.98 6.15 3.38 -1.80 -3.36 115.31 118.81 1g9l h LEU 74 Ca 0.00 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.01 1g9l h LEU 74 Cb 0.00 -0.04 -0.16 0.00 0.09 0.00 0.00 40.66 40.55 1g9l h LEU 74 CO 0.00 1.02 -0.37 0.15 0.09 0.00 0.00 178.44 179.34 1g9l h PHE 75 N 0.03 -1.00 0.00 1.13 3.57 -1.86 1.00 116.94 119.82 1g9l h PHE 75 Ca -0.04 0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1g9l h PHE 75 Cb 1.68 0.58 -0.00 0.00 2.79 0.00 0.00 35.95 41.00 1g9l h PHE 75 CO 0.02 -0.41 -0.06 -1.00 -2.23 0.00 0.00 178.31 174.63 1g9l h PRO 76 N -0.01 0.00 0.00 6.41 0.13 -1.92 -2.50 132.00 134.11 1g9l h PRO 76 Ca 0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.49 1g9l h PRO 76 Cb 0.61 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.74 1g9l h PRO 76 CO -0.98 0.06 -0.85 -0.07 -0.23 0.00 0.00 178.00 175.92 1g9l h LEU 77 N 0.00 0.00 -0.49 1.56 3.38 0.56 -3.32 115.31 117.00 1g9l h LEU 77 Ca -0.00 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1g9l h LEU 77 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1g9l h LEU 77 CO 0.01 0.01 -0.59 0.40 0.09 0.00 0.00 178.44 178.35 1g9l h ILE 78 N 0.00 1.33 0.00 1.22 1.08 0.46 -2.53 117.51 119.07 1g9l h ILE 78 Ca 0.00 -1.87 0.00 0.00 -0.39 0.00 0.00 64.86 62.60 1g9l h ILE 78 Cb 0.99 1.85 0.00 0.00 -3.07 0.00 0.00 36.82 36.59 1g9l h ILE 78 CO 0.00 0.58 0.29 1.56 -0.69 0.00 0.00 178.15 179.88 1g9l h GLN 79 N 0.39 0.00 0.21 2.37 4.20 -1.65 0.62 115.11 121.25 1g9l h GLN 79 Ca -0.00 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.38 1g9l h GLN 79 Cb 1.14 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.95 1g9l h GLN 79 CO 0.11 0.00 -1.48 0.00 -0.67 0.00 0.00 178.83 176.79 1g9l h ALA 80 N 1.34 -0.03 -0.30 3.87 0.00 -1.65 -3.19 119.26 119.29 1g9l h ALA 80 Ca 0.00 -0.92 -0.13 0.00 0.00 0.00 0.00 54.91 53.86 1g9l h ALA 80 Cb 0.57 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1g9l h ALA 80 CO 0.00 0.83 -0.31 0.52 0.00 0.00 0.00 179.25 180.30 1g9l h MET 81 N 0.12 0.74 -6.46 0.00 2.86 0.14 -3.45 114.93 108.88 1g9l h MET 81 Ca -0.24 -0.39 -0.62 0.00 -2.06 0.00 0.00 59.70 56.39 1g9l h MET 81 Cb 2.11 0.01 -0.20 0.00 0.06 0.00 0.00 31.60 33.58 1g9l h MET 81 CO 0.24 1.02 -0.83 -1.01 1.06 0.00 0.00 176.91 177.39 1g9l s HIS 82 N -4.36 2.08 -0.91 -0.22 4.02 -0.58 -5.03 115.29 110.28 1g9l s HIS 82 Ca -0.12 -0.40 -0.24 0.00 1.02 0.00 0.00 55.06 55.32 1g9l s HIS 82 Cb 0.09 -1.09 -0.20 0.00 -1.02 0.00 0.00 32.58 30.36 1g9l s HIS 82 CO 0.84 0.34 2.09 -0.35 1.02 0.00 0.00 174.74 178.69 1g9l n PRO 83 N 0.68 0.19 -4.06 8.40 -0.04 -1.26 -3.47 135.00 135.45 1g9l n PRO 83 Ca -0.16 -1.28 -0.33 0.00 -0.04 0.00 0.00 63.50 61.69 1g9l n PRO 83 Cb 0.55 -3.52 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 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 8.51 -0.02 0.83 0.52 5.66 -1.20 -4.76 114.28 123.81 1g9l n THR 84 Ca 0.40 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.48 1g9l n THR 84 Cb 0.45 -0.41 0.26 0.00 -1.55 0.00 0.00 70.33 69.08 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 -3.70 2.16 -1.74 1.09 4.77 -1.23 -4.47 117.00 113.89 1g9l n LEU 85 Ca 0.09 -1.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.02 1g9l n LEU 85 Cb 0.46 -0.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 1g9l n LEU 85 CO 0.74 0.50 1.20 0.00 -1.33 0.00 0.00 177.39 178.50 1g9l n ALA 86 N 0.66 4.78 0.73 -1.18 0.00 -1.26 -4.23 120.51 120.00 1g9l n ALA 86 Ca 0.15 -0.72 0.12 0.00 0.00 0.00 0.00 53.44 52.99 1g9l n ALA 86 Cb 0.37 -1.58 0.48 0.00 0.00 0.00 0.00 19.45 18.72 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 1.95 -1.40 0.88 0.00 0.00 -1.26 -4.28 105.19 101.07 1g9l n GLY 87 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.76 0.07 0.00 1.61 3.00 -1.26 -5.04 118.16 114.78 1g9l n LYS 88 Ca 0.05 -0.23 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 1g9l n LYS 88 Cb 0.31 0.41 0.00 0.00 0.00 0.00 0.00 35.03 35.74 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 -0.08 0.00 -0.31 3.15 5.41 -1.26 -3.41 119.36 122.87 1g9l n ILE 89 Ca -0.06 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.80 1g9l n ILE 89 Cb 0.40 -0.01 0.28 0.00 -0.71 0.00 0.00 39.64 39.60 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 0.61 -0.53 1.39 2.02 -1.91 0.68 112.91 115.17 1g9l h THR 90 Ca 0.00 -0.19 0.13 0.00 0.77 0.00 0.00 66.41 67.12 1g9l h THR 90 Cb 0.00 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.40 1g9l h THR 90 CO 0.00 0.10 0.37 1.23 0.37 0.00 0.00 175.52 177.59 1g9l h GLY 91 N 0.54 0.23 1.60 2.16 0.00 -1.79 0.27 103.07 106.09 1g9l h GLY 91 Ca 0.53 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.71 1g9l h GLY 91 CO -0.44 0.03 -0.71 1.98 0.00 0.00 0.00 176.54 177.41 1g9l h MET 92 N 0.15 0.00 0.00 4.80 1.85 0.27 -3.19 114.93 118.81 1g9l h MET 92 Ca 0.25 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.34 1g9l h MET 92 Cb 0.80 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.83 1g9l h MET 92 CO -0.04 0.28 0.00 1.28 -0.40 0.00 0.00 176.91 178.04 1g9l n LEU 93 N -3.04 0.00 -1.68 3.39 7.99 0.94 0.10 117.00 124.70 1g9l n LEU 93 Ca -0.01 0.45 -0.08 0.00 -0.01 0.00 0.00 56.01 56.37 1g9l n LEU 93 Cb 0.69 -0.45 0.24 0.00 -0.11 0.00 0.00 43.42 43.79 1g9l n LEU 93 CO 0.40 -0.44 0.96 0.18 -1.51 0.00 0.00 177.39 176.99 1g9l n LEU 94 N -1.45 5.44 0.00 2.23 4.32 -1.19 -4.04 117.00 122.31 1g9l n LEU 94 Ca 0.00 -3.44 0.00 0.00 -0.02 0.00 0.00 56.01 52.55 1g9l n LEU 94 Cb 0.01 -0.71 0.00 0.00 -1.62 0.00 0.00 43.42 41.10 1g9l n LEU 94 CO 0.01 0.97 0.00 -1.84 -1.22 0.00 0.00 177.39 175.31 1g9l n GLU 95 N -0.71 0.00 0.00 3.23 0.28 0.28 -5.10 120.64 118.62 1g9l n GLU 95 Ca 0.41 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.41 1g9l n GLU 95 Cb 1.30 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.17 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 0.24 -4.66 119.36 118.77 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 0.17 -0.12 0.00 0.00 -0.00 0.00 0.00 39.64 39.69 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 -0.08 -1.26 -4.77 116.55 117.72 1g9l n ASP 97 Ca 0.00 0.14 0.00 0.00 -1.51 0.00 0.00 54.79 53.42 1g9l n ASP 97 Cb 0.00 -0.14 0.00 0.00 2.34 0.00 0.00 41.12 43.32 1g9l n ASP 97 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86 1g9l n ASN 98 N -1.13 0.00 0.23 1.67 6.94 -1.26 -4.63 115.26 117.08 1g9l n ASN 98 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 54.58 54.66 1g9l n ASN 98 Cb 0.00 0.00 0.58 0.00 -2.36 0.00 0.00 39.78 38.00 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1g9l h SER 99 N 0.00 0.00 1.26 0.53 0.02 -1.98 -0.30 113.55 113.08 1g9l h SER 99 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 1g9l h SER 99 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1g9l h SER 99 CO 0.00 0.20 -0.77 -0.33 -1.14 0.00 0.00 176.83 174.79 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 5.08 -1.92 -0.30 114.58 120.89 1g9l h GLU 100 Ca -0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 1g9l h GLU 100 Cb 0.51 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 1g9l h GLU 100 CO 0.03 0.32 -0.53 1.25 -1.00 0.00 0.00 179.01 179.07 1g9l h LEU 101 N 0.00 0.00 0.03 1.33 5.85 -1.38 -2.05 115.31 119.09 1g9l h LEU 101 Ca -0.05 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.44 1g9l h LEU 101 Cb 1.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1g9l h LEU 101 CO 0.04 0.53 -1.22 -0.07 -0.34 0.00 0.00 178.44 177.39 1g9l h LEU 102 N 0.00 0.11 -0.70 2.25 4.07 -1.07 -3.35 115.31 116.62 1g9l h LEU 102 Ca -0.01 -0.67 -0.05 0.00 0.08 0.00 0.00 57.88 57.23 1g9l h LEU 102 Cb 1.15 -0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.83 1g9l h LEU 102 CO 0.07 1.50 0.24 -0.74 -1.08 0.00 0.00 178.44 178.42 1g9l h HIS 103 N -0.77 1.11 -0.95 1.13 2.76 -1.13 -1.43 115.15 115.87 1g9l h HIS 103 Ca -0.31 -0.10 0.09 0.00 -2.20 0.00 0.00 60.37 57.84 1g9l h HIS 103 Cb 1.43 -0.32 -0.07 0.00 1.55 0.00 0.00 27.41 29.99 1g9l h HIS 103 CO 0.12 0.88 0.61 0.00 -1.30 0.00 0.00 177.93 178.24 1g9l h MET 104 N 1.02 0.98 -0.00 5.26 -0.00 -1.55 0.87 114.93 121.51 1g9l h MET 104 Ca 0.23 -0.06 0.00 0.00 -0.00 0.00 0.00 59.70 59.87 1g9l h MET 104 Cb 0.28 -0.22 0.00 0.00 -0.00 0.00 0.00 31.60 31.66 1g9l h MET 104 CO -0.01 0.65 -0.22 1.28 -0.00 0.00 0.00 176.91 178.61 1g9l n LEU 105 N -4.53 0.43 -0.18 -0.10 4.77 -1.05 -2.81 117.00 113.53 1g9l n LEU 105 Ca 0.16 0.09 0.06 0.00 -0.03 0.00 0.00 56.01 56.28 1g9l n LEU 105 Cb 0.26 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1g9l n LEU 105 CO 0.31 0.09 0.14 -0.62 -1.33 0.00 0.00 177.39 175.98 1g9l n GLU 106 N -1.21 2.41 -3.72 3.23 -0.58 0.58 -4.80 120.64 116.55 1g9l n GLU 106 Ca 0.10 -0.44 -0.12 0.00 -0.42 0.00 0.00 57.16 56.28 1g9l n GLU 106 Cb 0.32 -1.11 -0.13 0.00 -0.57 0.00 0.00 31.44 29.95 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1g9l s SER 107 N -1.71 -0.28 0.00 1.62 0.15 0.27 -5.01 113.70 108.75 1g9l s SER 107 Ca 0.08 0.56 0.11 0.00 0.70 0.00 0.00 55.95 57.40 1g9l s SER 107 Cb 0.09 0.45 0.64 0.00 -1.71 0.00 0.00 66.02 65.50 1g9l s SER 107 CO 0.36 -0.17 1.07 -2.65 1.20 0.00 0.00 173.24 173.05 1g9l n PRO 108 N 4.26 0.39 0.00 5.44 -0.02 -1.26 -1.60 135.00 142.21 1g9l n PRO 108 Ca -0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 1g9l n PRO 108 Cb 0.53 -1.43 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1g9l n PRO 108 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1g9l n GLU 109 N -0.93 4.68 0.01 -0.52 1.02 -1.26 -4.69 120.64 118.95 1g9l n GLU 109 Ca 0.08 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.04 1g9l n GLU 109 Cb 0.04 -0.43 -0.13 0.00 -0.02 0.00 0.00 31.44 30.90 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 0.40 -0.97 1.62 0.02 -1.53 0.15 113.55 113.25 1g9l h SER 110 Ca 0.00 -0.87 0.27 0.00 -0.84 0.00 0.00 61.79 60.35 1g9l h SER 110 Cb 0.00 -0.13 -0.14 0.00 0.14 0.00 0.00 62.40 62.28 1g9l h SER 110 CO 0.00 1.22 0.50 0.25 -1.14 0.00 0.00 176.83 177.66 1g9l h LEU 111 N -0.37 0.46 0.03 5.07 7.12 -1.58 0.67 115.31 126.71 1g9l h LEU 111 Ca -0.09 0.17 -0.00 0.00 0.13 0.00 0.00 57.88 58.09 1g9l h LEU 111 Cb 1.36 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 41.61 1g9l h LEU 111 CO 0.11 -0.04 -0.01 -0.09 -0.13 0.00 0.00 178.44 178.27 1g9l h ARG 112 N 0.40 -0.04 -0.30 1.25 2.43 -1.83 -2.90 114.38 113.40 1g9l h ARG 112 Ca 0.65 0.00 0.07 0.00 -0.81 0.00 0.00 59.98 59.89 1g9l h ARG 112 Cb 1.35 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.83 1g9l h ARG 112 CO -0.56 -0.02 -0.31 1.03 -1.51 0.00 0.00 179.97 178.60 1g9l h SER 113 N -0.78 -1.00 -0.11 -3.80 0.87 -0.25 0.20 113.55 108.68 1g9l h SER 113 Ca -0.00 0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1g9l h SER 113 Cb 0.03 0.46 -0.00 0.00 -0.44 0.00 0.00 62.40 62.44 1g9l h SER 113 CO 0.01 -0.32 0.08 0.11 -0.53 0.00 0.00 176.83 176.17 1g9l h LYS 114 N -0.29 0.00 0.17 2.24 1.79 0.17 0.77 116.57 121.43 1g9l h LYS 114 Ca 0.15 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.61 1g9l h LYS 114 Cb 0.53 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.18 1g9l h LYS 114 CO -0.46 0.00 -0.08 0.28 -1.08 0.00 0.00 179.45 178.11 1g9l h VAL 115 N 0.00 0.71 -0.63 0.50 2.07 -0.59 0.21 116.25 118.51 1g9l h VAL 115 Ca 0.05 -1.12 0.12 0.00 0.82 0.00 0.00 66.70 66.57 1g9l h VAL 115 Cb 0.21 1.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1g9l h VAL 115 CO -0.00 0.19 0.43 -0.78 0.02 0.00 0.00 177.57 177.43 1g9l h ASP 116 N -0.92 0.31 0.14 0.57 3.58 -0.44 0.11 116.42 119.76 1g9l h ASP 116 Ca -0.02 0.01 -0.28 0.00 0.42 0.00 0.00 57.03 57.16 1g9l h ASP 116 Cb 0.49 -0.05 0.02 0.00 1.72 0.00 0.00 39.33 41.51 1g9l h ASP 116 CO 0.04 0.17 -1.15 -0.08 -2.88 0.00 0.00 179.24 175.34 1g9l h GLU 117 N 0.33 0.61 0.00 0.28 4.81 -0.87 -3.04 114.58 116.70 1g9l h GLU 117 Ca 0.30 -0.75 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 1g9l h GLU 117 Cb 0.72 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1g9l h GLU 117 CO -0.08 1.33 -0.03 0.00 -0.73 0.00 0.00 179.01 179.51 1g9l h ALA 118 N 0.39 1.39 0.06 2.92 0.00 0.17 -1.46 119.26 122.74 1g9l h ALA 118 Ca -0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1g9l h ALA 118 Cb 1.82 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1g9l h ALA 118 CO 0.22 0.04 -0.03 0.28 0.00 0.00 0.00 179.25 179.75 1g9l h VAL 119 N 0.00 1.15 -0.14 0.00 2.07 -0.78 0.74 116.25 119.29 1g9l h VAL 119 Ca -0.00 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.80 1g9l h VAL 119 Cb 0.09 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1g9l h VAL 119 CO 0.00 0.19 0.17 0.00 0.02 0.00 0.00 177.57 177.95 1g9l h ALA 120 N 0.48 1.69 0.04 1.67 0.00 -1.27 0.43 119.26 122.31 1g9l h ALA 120 Ca -0.01 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1g9l h ALA 120 Cb 0.37 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1g9l h ALA 120 CO 0.01 -0.24 -1.48 0.28 0.00 0.00 0.00 179.25 177.83 1g9l h VAL 121 N 0.00 1.17 -0.02 0.00 2.07 -0.77 -3.09 116.25 115.60 1g9l h VAL 121 Ca 0.06 -2.91 -0.23 0.00 0.82 0.00 0.00 66.70 64.45 1g9l h VAL 121 Cb 0.40 2.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1g9l h VAL 121 CO -0.00 0.74 -0.91 0.25 0.02 0.00 0.00 177.57 177.67 1g9l h LEU 122 N 0.03 0.61 -0.82 2.57 5.85 0.29 -2.36 115.31 121.49 1g9l h LEU 122 Ca -0.21 -0.47 -0.06 0.00 0.84 0.00 0.00 57.88 57.99 1g9l h LEU 122 Cb 1.95 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 42.76 1g9l h LEU 122 CO 0.12 1.26 0.24 1.56 -0.34 0.00 0.00 178.44 181.28 1g9l h GLN 123 N 0.29 1.12 0.00 1.25 4.20 -0.38 -2.60 115.11 118.98 1g9l h GLN 123 Ca -0.08 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1g9l h GLN 123 Cb 1.54 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 29.16 1g9l h GLN 123 CO 0.16 0.94 0.00 0.00 -0.67 0.00 0.00 178.83 179.27 1g9l n ALA 124 N -2.45 -0.03 -0.38 3.87 0.00 -1.17 -1.82 120.51 118.53 1g9l n ALA 124 Ca 0.06 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.81 1g9l n ALA 124 Cb 0.22 0.00 0.49 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.63 0.26 0.00 0.00 -0.00 -0.89 0.13 115.22 114.09 1g9l n HIS 125 Ca 0.00 0.26 0.00 0.00 0.46 0.00 0.00 57.72 58.44 1g9l n HIS 125 Cb 0.00 -0.63 0.00 0.00 -0.12 0.00 0.00 29.99 29.24 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 -3.69 0.00 -1.02 1.57 6.02 -0.98 -4.36 117.38 114.92 1g9l n GLN 126 Ca 0.28 0.19 -0.20 0.00 -0.01 0.00 0.00 57.00 57.26 1g9l n GLN 126 Cb 1.17 -0.85 0.14 0.00 1.02 0.00 0.00 30.24 31.73 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 -1.07 5.13 -1.82 -1.58 0.00 -0.25 -4.83 120.51 116.09 1g9l n ALA 127 Ca 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 53.44 51.02 1g9l n ALA 127 Cb 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 3.10 -0.35 0.00 2.85 0.34 -4.94 118.16 118.35 1g9l n LYS 128 Ca 0.49 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.77 1g9l n LYS 128 Cb 1.39 0.00 0.14 0.00 -0.65 0.00 0.00 35.03 35.91 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 2.32 0.09 -1.58 4.71 -1.26 -4.36 120.64 120.56 1g9l n GLU 129 Ca 0.00 -1.16 -0.12 0.00 -0.01 0.00 0.00 57.16 55.87 1g9l n GLU 129 Cb 0.00 -1.74 -0.06 0.00 -1.01 0.00 0.00 31.44 28.63 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1g9l h ALA 130 N 2.60 -0.19 -3.08 0.62 0.00 -1.86 -3.44 119.26 113.91 1g9l h ALA 130 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1g9l h ALA 130 Cb 1.13 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1g9l h ALA 130 CO 0.21 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.83 1g9l n ALA 131 N -2.30 0.00 -0.92 0.00 0.00 -1.26 -5.06 120.51 110.97 1g9l n ALA 131 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1g9l n ALA 131 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 -0.26 0.00 -2.44 0.00 6.02 -1.26 -4.92 117.38 114.51 1g9l n GLN 132 Ca 0.00 0.04 -0.24 0.00 -0.01 0.00 0.00 57.00 56.79 1g9l n GLN 132 Cb 0.00 -0.83 0.11 0.00 1.02 0.00 0.00 30.24 30.54 1g9l n GLN 132 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1g9l s LYS 133 N -0.71 1.69 0.37 -1.09 -0.14 -1.26 -4.99 119.74 113.61 1g9l s LYS 133 Ca 0.00 -0.86 0.16 0.00 -1.36 0.00 0.00 55.97 53.91 1g9l s LYS 133 Cb 0.00 -2.25 0.70 0.00 -1.68 0.00 0.00 37.83 34.60 1g9l s LYS 133 CO 0.00 -1.48 1.77 0.00 -0.76 0.00 0.00 175.35 174.88 1g9l h ALA 134 N -0.64 1.15 -2.38 5.17 0.00 -1.91 -3.44 119.26 117.22 1g9l h ALA 134 Ca -0.39 -0.37 -0.47 0.00 0.00 0.00 0.00 54.91 53.68 1g9l h ALA 134 Cb 1.27 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1g9l h ALA 134 CO 0.44 0.50 0.38 0.08 0.00 0.00 0.00 179.25 180.65 1g9l s VAL 135 N -3.87 3.94 0.36 0.00 1.01 -1.26 -4.90 120.40 115.68 1g9l s VAL 135 Ca -0.02 1.40 -0.20 0.00 0.00 0.00 0.00 61.98 63.16 1g9l s VAL 135 Cb 0.13 -3.67 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 1g9l s VAL 135 CO 0.71 -0.08 0.87 0.20 0.00 0.00 0.00 175.10 176.80 1g9l s ASN 136 N -1.77 7.00 0.27 3.32 0.01 -1.26 -4.90 114.94 117.60 1g9l s ASN 136 Ca 0.59 1.59 0.05 0.00 -0.71 0.00 0.00 52.86 54.38 1g9l s ASN 136 Cb -0.18 -2.49 -0.02 0.00 0.41 0.00 0.00 41.25 38.96 1g9l s ASN 136 CO 0.23 -0.21 0.40 -0.55 -1.51 0.00 0.00 177.10 175.45 1g9l s SER 137 N -2.02 6.21 0.65 -1.22 0.15 -1.26 -5.12 113.70 111.10 1g9l s SER 137 Ca 0.55 0.00 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1g9l s SER 137 Cb -0.12 -1.68 0.00 0.00 -1.71 0.00 0.00 66.02 62.51 1g9l s SER 137 CO 0.17 -0.18 0.00 0.00 1.20 0.00 0.00 173.24 174.43 1g9l n ALA 138 N -1.49 0.00 -0.20 5.45 0.00 -1.26 -5.05 120.51 117.96 1g9l n ALA 138 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1g9l n ALA 138 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1g9l n ALA 138 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1g9l n THR 139 N -1.75 0.00 -2.48 0.00 -2.24 -1.26 -4.61 114.28 101.94 1g9l n THR 139 Ca 0.00 0.40 -0.43 0.00 -2.27 0.00 0.00 64.05 61.75 1g9l n THR 139 Cb 0.00 -1.27 0.00 0.00 -2.10 0.00 0.00 70.33 66.96 1g9l n THR 139 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g9l n GLY 140 N 1.96 4.48 3.42 3.38 0.00 -1.26 -4.95 105.19 112.22 1g9l n GLY 140 Ca 0.00 -2.09 -0.44 0.00 0.00 0.00 0.00 46.02 43.49 1g9l n GLY 140 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1g9l s VAL 141 N 0.58 4.95 0.08 1.61 -7.23 -1.26 -5.05 120.40 114.09 1g9l s VAL 141 Ca 0.40 -0.68 -0.30 0.00 -1.81 0.00 0.00 61.98 59.59 1g9l s VAL 141 Cb 0.07 -4.28 -0.05 0.00 0.56 0.00 0.00 36.38 32.68 1g9l s VAL 141 CO 0.01 -0.79 0.99 -2.16 -0.31 0.00 0.00 175.10 172.84 1g9l s PRO 142 N 2.40 4.64 -0.02 4.82 0.04 -1.26 -4.94 135.00 140.68 1g9l s PRO 142 Ca 0.12 1.49 0.21 0.00 0.04 0.00 0.00 61.00 62.86 1g9l s PRO 142 Cb -0.21 -3.39 -0.29 0.00 0.04 0.00 0.00 34.50 30.66 1g9l s PRO 142 CO 0.10 0.10 0.65 -2.37 0.04 0.00 0.00 177.00 175.52 1g9l n THR 143 N 3.11 0.00 -0.03 1.26 5.66 -1.26 -5.26 114.28 117.77 1g9l n THR 143 Ca 0.04 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1g9l n THR 143 Cb 0.49 0.45 0.00 0.00 -1.55 0.00 0.00 70.33 69.72 1g9l n THR 143 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57