#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 -0.55 -5.08 1.61 0.11 -2.09 -3.38 132.00 122.61 1g9l h PRO 2 Ca 0.00 0.04 -0.67 0.00 0.11 0.00 0.00 66.00 65.48 1g9l h PRO 2 Cb 0.00 0.13 -0.17 0.00 0.11 0.00 0.00 31.00 31.06 1g9l h PRO 2 CO 0.00 -0.37 0.28 -1.17 -0.21 0.00 0.00 178.00 176.53 1g9l s LEU 3 N -6.57 4.88 -0.13 2.35 1.98 -1.26 -5.03 118.68 114.90 1g9l s LEU 3 Ca -0.08 -1.10 -0.04 0.00 -2.89 0.00 0.00 54.13 50.02 1g9l s LEU 3 Cb 0.01 -2.41 -0.03 0.00 0.66 0.00 0.00 46.19 44.41 1g9l s LEU 3 CO 0.25 -1.19 0.01 -0.83 -1.89 0.00 0.00 176.35 172.71 1g9l s GLY 4 N 3.40 1.84 -0.02 7.98 0.00 -1.26 -4.98 107.32 114.28 1g9l s GLY 4 Ca 0.17 -0.79 0.19 0.00 0.00 0.00 0.00 44.72 44.30 1g9l s GLY 4 CO 0.10 -0.25 0.53 -1.26 0.00 0.00 0.00 173.10 172.22 1g9l n SER 5 N 2.91 0.67 -3.99 1.64 2.88 -1.26 -4.96 113.62 111.52 1g9l n SER 5 Ca -0.18 -0.27 -0.16 0.00 -1.33 0.00 0.00 58.87 56.93 1g9l n SER 5 Cb 0.53 1.63 -0.14 0.00 -0.75 0.00 0.00 64.21 65.48 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1g9l s ALA 6 N -3.18 0.51 0.00 -1.46 0.00 -1.26 -5.09 121.76 111.28 1g9l s ALA 6 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.58 1g9l s ALA 6 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1g9l s ALA 6 CO 0.79 0.10 0.06 0.00 0.00 0.00 0.00 175.76 176.71 1g9l n ALA 7 N 2.67 -0.02 0.00 0.00 0.00 -1.26 -4.98 120.51 116.92 1g9l n ALA 7 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1g9l n ALA 7 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.54 1.93 -3.71 0.00 0.00 -1.26 -5.10 120.51 110.83 1g9l n ALA 8 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1g9l n ALA 8 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 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 -1.46 0.63 -0.18 0.00 0.00 -1.26 -5.04 121.76 114.44 1g9l s ALA 9 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 51.96 51.80 1g9l s ALA 9 Cb 0.00 -0.56 -0.08 0.00 0.00 0.00 0.00 23.12 22.48 1g9l s ALA 9 CO 0.00 -0.24 -0.26 2.41 0.00 0.00 0.00 175.76 177.67 1g9l n THR 10 N 4.60 1.15 -1.65 0.00 -1.04 -1.26 -4.97 114.28 111.11 1g9l n THR 10 Ca -0.16 -0.20 -0.47 0.00 -2.04 0.00 0.00 64.05 61.18 1g9l n THR 10 Cb 0.50 -1.83 -0.04 0.00 -1.82 0.00 0.00 70.33 67.14 1g9l n THR 10 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1g9l n PRO 11 N -3.94 2.22 -0.38 -2.82 -0.02 -1.26 -4.85 135.00 123.96 1g9l n PRO 11 Ca -0.35 0.78 0.07 0.00 -2.02 0.00 0.00 63.50 61.99 1g9l n PRO 11 Cb 0.71 -2.79 0.24 0.00 -0.02 0.00 0.00 33.50 31.65 1g9l n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g9l n ALA 12 N 7.74 2.76 -3.56 3.55 0.00 -1.26 -4.66 120.51 125.08 1g9l n ALA 12 Ca 0.24 -1.03 -0.39 0.00 0.00 0.00 0.00 53.44 52.27 1g9l n ALA 12 Cb 0.33 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 1g9l n ALA 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1g9l s VAL 13 N -1.61 4.71 -0.03 0.00 -7.23 -1.26 -4.90 120.40 110.08 1g9l s VAL 13 Ca 0.35 -3.52 -0.00 0.00 -1.81 0.00 0.00 61.98 57.00 1g9l s VAL 13 Cb 0.21 -3.91 -0.00 0.00 0.56 0.00 0.00 36.38 33.24 1g9l s VAL 13 CO 0.19 -1.07 -0.00 0.03 -0.31 0.00 0.00 175.10 173.94 1g9l h ARG 14 N 6.45 0.00 -5.91 4.82 3.08 -2.02 -3.46 114.38 117.34 1g9l h ARG 14 Ca 0.13 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.56 1g9l h ARG 14 Cb 0.87 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.86 1g9l h ARG 14 CO 0.85 0.00 -0.28 0.99 -1.07 0.00 0.00 179.97 180.47 1g9l s THR 15 N -1.16 5.16 -0.10 2.04 2.01 -1.26 -5.09 115.64 117.23 1g9l s THR 15 Ca -0.00 0.66 -0.02 0.00 0.31 0.00 0.00 61.69 62.64 1g9l s THR 15 Cb 0.00 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1g9l s THR 15 CO 0.00 0.58 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.79 1g9l s VAL 16 N -1.08 3.98 0.24 3.82 1.01 -1.26 -5.01 120.40 122.10 1g9l s VAL 16 Ca 0.22 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1g9l s VAL 16 Cb -0.15 -2.68 -0.06 0.00 0.00 0.00 0.00 36.38 33.48 1g9l s VAL 16 CO 0.11 0.57 1.54 1.55 0.00 0.00 0.00 175.10 178.87 1g9l h PRO 17 N 5.67 0.06 -6.60 2.72 0.13 -2.03 -3.45 132.00 128.49 1g9l h PRO 17 Ca -0.44 -0.05 -0.47 0.00 -0.87 0.00 0.00 66.00 64.17 1g9l h PRO 17 Cb 1.18 0.01 0.02 0.00 0.13 0.00 0.00 31.00 32.34 1g9l h PRO 17 CO 0.56 0.72 -0.14 -0.65 -0.23 0.00 0.00 178.00 178.26 1g9l s GLN 18 N -3.49 3.40 0.15 0.86 -0.21 -1.26 -5.04 119.66 114.07 1g9l s GLN 18 Ca -0.02 -0.31 -0.31 0.00 0.02 0.00 0.00 55.36 54.73 1g9l s GLN 18 Cb 0.12 -2.61 -0.10 0.00 1.00 0.00 0.00 33.01 31.42 1g9l s GLN 18 CO 0.78 0.02 1.60 0.71 -2.12 0.00 0.00 175.29 176.28 1g9l s TYR 19 N -2.42 2.94 0.00 0.91 1.51 -1.26 -5.01 117.35 114.02 1g9l s TYR 19 Ca 0.43 0.54 0.00 0.00 -1.01 0.00 0.00 57.07 57.03 1g9l s TYR 19 Cb -0.10 -3.96 0.00 0.00 -0.11 0.00 0.00 41.96 37.80 1g9l s TYR 19 CO 0.37 -3.59 0.00 0.36 -1.11 0.00 0.00 175.55 171.58 1g9l n LYS 20 N 4.24 1.19 -0.73 -0.62 2.85 -1.26 -4.93 118.16 118.90 1g9l n LYS 20 Ca 0.14 0.00 -0.11 0.00 -1.05 0.00 0.00 58.31 57.30 1g9l n LYS 20 Cb 0.38 0.00 0.03 0.00 -0.65 0.00 0.00 35.03 34.79 1g9l n LYS 20 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1g9l n TYR 21 N -0.65 1.01 -0.07 5.58 4.01 -1.26 -4.27 117.16 121.50 1g9l n TYR 21 Ca 0.00 -1.57 -0.06 0.00 -0.16 0.00 0.00 57.90 56.10 1g9l n TYR 21 Cb 0.00 -0.77 -0.02 0.00 -0.31 0.00 0.00 39.34 38.24 1g9l n TYR 21 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1g9l n ALA 22 N 0.67 0.48 -1.82 -0.72 0.00 -1.26 -4.82 120.51 113.03 1g9l n ALA 22 Ca 0.20 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.79 1g9l n ALA 22 Cb 0.58 -0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.96 1g9l n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l s ALA 23 N -2.69 2.70 0.00 0.00 0.00 -1.26 -4.93 121.76 115.57 1g9l s ALA 23 Ca -0.16 0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1g9l s ALA 23 Cb 0.02 -4.07 0.00 0.00 0.00 0.00 0.00 23.12 19.07 1g9l s ALA 23 CO 0.25 -2.88 0.00 0.41 0.00 0.00 0.00 175.76 173.54 1g9l n GLY 24 N 5.60 1.72 3.61 0.00 0.00 -1.26 -4.95 105.19 109.91 1g9l n GLY 24 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 1g9l n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g9l s VAL 25 N 0.21 5.25 -0.21 1.61 1.01 -1.26 -4.96 120.40 122.04 1g9l s VAL 25 Ca 0.00 0.38 -0.16 0.00 0.00 0.00 0.00 61.98 62.20 1g9l s VAL 25 Cb 0.00 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.68 1g9l s VAL 25 CO 0.00 0.22 -0.30 0.54 0.00 0.00 0.00 175.10 175.55 1g9l n ARG 26 N 5.07 0.55 -2.90 2.72 3.00 -1.26 -4.96 116.66 118.87 1g9l n ARG 26 Ca -0.11 0.28 -0.40 0.00 -0.01 0.00 0.00 57.85 57.61 1g9l n ARG 26 Cb 0.51 -1.49 -0.06 0.00 0.00 0.00 0.00 32.46 31.42 1g9l n ARG 26 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1g9l s ASN 27 N -6.52 7.46 -1.29 0.55 0.01 -1.26 -4.96 114.94 108.93 1g9l s ASN 27 Ca -0.31 1.73 -0.16 0.00 -0.71 0.00 0.00 52.86 53.41 1g9l s ASN 27 Cb 0.08 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.19 1g9l s ASN 27 CO 0.44 0.17 2.16 -0.81 -1.51 0.00 0.00 177.10 177.56 1g9l n PRO 28 N 1.70 2.53 -3.19 -0.60 -0.04 -1.26 -4.93 135.00 129.21 1g9l n PRO 28 Ca -0.04 -2.41 -0.40 0.00 -0.04 0.00 0.00 63.50 60.62 1g9l n PRO 28 Cb 0.48 -3.19 -0.06 0.00 -0.04 0.00 0.00 33.50 30.69 1g9l n PRO 28 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1g9l s GLN 29 N 3.63 4.21 -0.29 0.54 -0.44 -1.26 -5.05 119.66 121.00 1g9l s GLN 29 Ca 0.50 0.51 -0.12 0.00 -2.50 0.00 0.00 55.36 53.74 1g9l s GLN 29 Cb 0.14 -3.56 -0.04 0.00 -1.64 0.00 0.00 33.01 27.91 1g9l s GLN 29 CO -0.04 -0.17 0.25 1.14 0.50 0.00 0.00 175.29 176.97 1g9l s GLN 30 N 1.70 3.88 0.32 1.67 -2.07 -1.26 -4.94 119.66 118.96 1g9l s GLN 30 Ca 0.26 -0.28 0.26 0.00 -1.82 0.00 0.00 55.36 53.78 1g9l s GLN 30 Cb -0.16 -3.69 0.74 0.00 -1.09 0.00 0.00 33.01 28.81 1g9l s GLN 30 CO 0.10 -0.26 1.74 1.25 -1.32 0.00 0.00 175.29 176.79 1g9l h HIS 31 N 8.35 0.00 -2.88 9.60 -0.00 -2.03 -3.44 115.15 124.75 1g9l h HIS 31 Ca -0.33 0.00 -0.57 0.00 -0.00 0.00 0.00 60.37 59.47 1g9l h HIS 31 Cb 1.18 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.55 1g9l h HIS 31 CO 0.74 0.00 0.92 -0.51 -0.00 0.00 0.00 177.93 179.08 1g9l s LEU 32 N -5.22 4.19 -0.01 0.26 1.43 -1.26 -4.87 118.68 113.21 1g9l s LEU 32 Ca 0.08 1.74 0.16 0.00 -1.03 0.00 0.00 54.13 55.08 1g9l s LEU 32 Cb 0.09 -3.54 -0.19 0.00 0.03 0.00 0.00 46.19 42.58 1g9l s LEU 32 CO 0.59 -0.78 0.60 0.59 0.23 0.00 0.00 176.35 177.58 1g9l n ASN 33 N 6.65 0.87 -4.53 2.29 4.13 -1.26 -4.88 115.26 118.53 1g9l n ASN 33 Ca 0.14 -0.66 -0.43 0.00 1.68 0.00 0.00 54.58 55.32 1g9l n ASN 33 Cb 0.45 1.19 -0.04 0.00 -1.54 0.00 0.00 39.78 39.84 1g9l n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1g9l s ALA 34 N -2.66 3.09 -0.25 5.41 0.00 -1.26 -4.87 121.76 121.22 1g9l s ALA 34 Ca 0.03 -1.25 -0.15 0.00 0.00 0.00 0.00 51.96 50.58 1g9l s ALA 34 Cb 0.12 -3.84 -0.12 0.00 0.00 0.00 0.00 23.12 19.28 1g9l s ALA 34 CO 0.66 -2.55 -0.29 1.04 0.00 0.00 0.00 175.76 174.62 1g9l n GLN 35 N 7.81 0.57 0.00 0.00 6.02 -1.26 -4.41 117.38 126.11 1g9l n GLN 35 Ca 0.02 0.30 0.08 0.00 -0.01 0.00 0.00 57.00 57.39 1g9l n GLN 35 Cb 0.48 -1.52 0.41 0.00 1.02 0.00 0.00 30.24 30.63 1g9l n GLN 35 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 1g9l n PRO 36 N -4.32 0.22 -2.71 -1.09 -0.02 -1.26 -4.66 135.00 121.16 1g9l n PRO 36 Ca -0.44 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 60.75 1g9l n PRO 36 Cb 0.78 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.73 1g9l n PRO 36 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1g9l s GLN 37 N -2.59 3.85 -0.20 -0.52 2.00 -1.26 -4.89 119.66 116.05 1g9l s GLN 37 Ca 0.15 0.68 0.15 0.00 -2.00 0.00 0.00 55.36 54.35 1g9l s GLN 37 Cb 0.11 -3.82 0.74 0.00 0.80 0.00 0.00 33.01 30.84 1g9l s GLN 37 CO 0.25 -1.07 1.66 0.28 -0.50 0.00 0.00 175.29 175.91 1g9l n VAL 38 N 6.21 2.46 -1.94 1.34 0.31 -1.26 -4.98 118.33 120.46 1g9l n VAL 38 Ca 0.10 -1.45 -0.30 0.00 -0.01 0.00 0.00 64.34 62.69 1g9l n VAL 38 Cb 0.48 -0.17 0.17 0.00 -0.91 0.00 0.00 33.84 33.41 1g9l n VAL 38 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1g9l s THR 39 N -2.55 2.00 0.00 2.52 -1.32 -1.26 -5.10 115.64 109.93 1g9l s THR 39 Ca 0.51 -0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 1g9l s THR 39 Cb 0.38 -2.99 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 1g9l s THR 39 CO 0.17 0.00 0.00 0.23 -2.21 0.00 0.00 174.62 172.81 1g9l n MET 40 N -3.70 0.77 -3.95 7.08 2.81 -1.26 -5.11 117.12 113.77 1g9l n MET 40 Ca 0.14 0.00 -0.28 0.00 -1.81 0.00 0.00 57.70 55.76 1g9l n MET 40 Cb 0.60 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.07 1g9l n MET 40 CO 0.00 0.00 0.00 1.14 1.51 0.00 0.00 175.97 178.62 1g9l s GLN 41 N -2.07 3.39 -0.20 0.03 -2.07 -1.26 -5.12 119.66 112.37 1g9l s GLN 41 Ca 0.00 -0.57 -0.15 0.00 -1.82 0.00 0.00 55.36 52.82 1g9l s GLN 41 Cb 0.00 -2.96 0.06 0.00 -1.09 0.00 0.00 33.01 29.01 1g9l s GLN 41 CO 0.00 0.55 0.50 -1.14 -1.32 0.00 0.00 175.29 173.88 1g9l s GLN 42 N -2.99 0.55 0.24 9.60 0.74 -1.26 -5.14 119.66 121.40 1g9l s GLN 42 Ca 0.34 0.80 -0.31 0.00 0.05 0.00 0.00 55.36 56.24 1g9l s GLN 42 Cb -0.12 0.18 -0.12 0.00 1.10 0.00 0.00 33.01 34.05 1g9l s GLN 42 CO 0.28 -0.11 1.65 -2.30 -0.55 0.00 0.00 175.29 174.26 1g9l n PRO 43 N 3.44 2.67 -2.69 1.67 -0.02 -1.26 -4.92 135.00 133.89 1g9l n PRO 43 Ca -0.17 0.96 -0.42 0.00 -2.02 0.00 0.00 63.50 61.84 1g9l n PRO 43 Cb 0.56 -2.76 -0.03 0.00 -0.02 0.00 0.00 33.50 31.25 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 0.62 2.93 -0.14 3.55 0.00 -1.26 -4.77 121.76 122.69 1g9l s ALA 44 Ca 0.71 -2.00 0.18 0.00 0.00 0.00 0.00 51.96 50.84 1g9l s ALA 44 Cb -0.52 -4.22 -0.24 0.00 0.00 0.00 0.00 23.12 18.14 1g9l s ALA 44 CO 0.40 -3.22 0.36 1.55 0.00 0.00 0.00 175.76 174.85 1g9l n VAL 45 N 6.28 1.17 -3.18 0.00 3.14 -1.26 -4.76 118.33 119.72 1g9l n VAL 45 Ca 0.15 -0.76 -0.45 0.00 -2.96 0.00 0.00 64.34 60.31 1g9l n VAL 45 Cb 0.49 -0.52 -0.04 0.00 -1.06 0.00 0.00 33.84 32.71 1g9l n VAL 45 CO 0.00 0.00 0.00 -1.00 -6.46 0.00 0.00 176.83 169.37 1g9l s HIS 46 N -2.75 3.25 0.44 1.45 3.76 -1.26 -5.03 115.29 115.15 1g9l s HIS 46 Ca -0.08 -1.34 0.04 0.00 -0.15 0.00 0.00 55.06 53.54 1g9l s HIS 46 Cb 0.08 -3.96 0.04 0.00 1.11 0.00 0.00 32.58 29.85 1g9l s HIS 46 CO 0.84 -1.19 0.35 1.33 -0.85 0.00 0.00 174.74 175.21 1g9l n VAL 47 N 5.09 0.00 0.08 -0.90 0.24 -1.26 -5.07 118.33 116.51 1g9l n VAL 47 Ca -0.00 -1.73 -0.10 0.00 -2.04 0.00 0.00 64.34 60.47 1g9l n VAL 47 Cb 0.44 -0.15 -0.07 0.00 -1.47 0.00 0.00 33.84 32.59 1g9l n VAL 47 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1g9l h GLN 48 N 0.00 -0.26 -6.17 7.34 4.20 -2.01 -3.46 115.11 114.75 1g9l h GLN 48 Ca -0.27 0.02 -0.50 0.00 0.06 0.00 0.00 58.65 57.95 1g9l h GLN 48 Cb 1.01 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 1g9l h GLN 48 CO 0.43 0.12 -0.48 0.20 -0.67 0.00 0.00 178.83 178.42 1g9l s GLY 49 N -3.20 1.43 -0.81 3.46 0.00 -1.26 -5.07 107.32 101.87 1g9l s GLY 49 Ca -0.12 -1.25 -0.05 0.00 0.00 0.00 0.00 44.72 43.30 1g9l s GLY 49 CO 0.44 -1.27 0.69 -0.86 0.00 0.00 0.00 173.10 172.09 1g9l s GLN 50 N -3.69 3.17 -0.21 2.90 -2.07 -1.26 -4.87 119.66 113.64 1g9l s GLN 50 Ca 0.33 -2.85 -0.20 0.00 -1.82 0.00 0.00 55.36 50.82 1g9l s GLN 50 Cb -0.09 -4.02 -0.17 0.00 -1.09 0.00 0.00 33.01 27.64 1g9l s GLN 50 CO 0.27 -1.23 0.13 0.39 -1.32 0.00 0.00 175.29 173.53 1g9l n GLU 51 N 3.08 0.56 -1.40 9.60 -0.58 -1.26 -4.96 120.64 125.68 1g9l n GLU 51 Ca 0.15 0.55 -0.36 0.00 -0.42 0.00 0.00 57.16 57.09 1g9l n GLU 51 Cb 0.39 -1.72 0.09 0.00 -0.57 0.00 0.00 31.44 29.63 1g9l n GLU 51 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 1g9l n PRO 52 N -4.44 0.57 -3.33 3.49 -0.02 -1.26 -4.99 135.00 125.03 1g9l n PRO 52 Ca -0.31 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.09 1g9l n PRO 52 Cb 0.66 -2.27 -0.06 0.00 -0.02 0.00 0.00 33.50 31.81 1g9l n PRO 52 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1g9l s LEU 53 N -3.37 4.19 0.00 2.45 2.96 -1.26 -4.92 118.68 118.73 1g9l s LEU 53 Ca 0.75 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 55.71 1g9l s LEU 53 Cb -0.35 -3.67 0.00 0.00 0.50 0.00 0.00 46.19 42.67 1g9l s LEU 53 CO 0.49 -0.06 0.00 0.35 -1.32 0.00 0.00 176.35 175.81 1g9l n THR 54 N 0.06 0.00 -0.19 3.68 -2.24 -1.26 -4.84 114.28 109.49 1g9l n THR 54 Ca -0.00 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.80 1g9l n THR 54 Cb 0.52 0.00 0.28 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.53 -0.41 6.98 0.00 -1.60 -1.51 119.26 126.24 1g9l h ALA 55 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1g9l h ALA 55 Cb 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1g9l h ALA 55 CO 0.00 0.42 0.25 0.77 0.00 0.00 0.00 179.25 180.70 1g9l h SER 56 N 0.93 0.49 -0.87 0.00 0.02 -1.87 -0.56 113.55 111.69 1g9l h SER 56 Ca 0.27 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1g9l h SER 56 Cb -0.05 -0.12 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 1g9l h SER 56 CO -0.07 0.40 0.53 0.24 -1.14 0.00 0.00 176.83 176.79 1g9l h MET 57 N 0.55 1.17 -0.29 3.45 2.07 -1.75 -2.09 114.93 118.04 1g9l h MET 57 Ca 0.15 -0.10 0.03 0.00 -2.07 0.00 0.00 59.70 57.70 1g9l h MET 57 Cb -0.01 -0.25 -0.03 0.00 -1.87 0.00 0.00 31.60 29.44 1g9l h MET 57 CO -0.03 0.82 0.12 -0.07 1.07 0.00 0.00 176.91 178.82 1g9l h LEU 58 N 1.19 0.16 0.00 1.22 4.07 -0.70 -0.69 115.31 120.56 1g9l h LEU 58 Ca 0.31 0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.29 1g9l h LEU 58 Cb -0.05 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.68 1g9l h LEU 58 CO -0.06 0.13 0.00 0.00 -1.08 0.00 0.00 178.44 177.43 1g9l n ALA 59 N -2.27 1.67 1.04 1.53 0.00 -0.27 -1.98 120.51 120.24 1g9l n ALA 59 Ca -0.01 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.52 1g9l n ALA 59 Cb 0.09 -1.22 0.57 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.44 0.10 -3.13 0.00 2.88 -0.27 -4.05 113.62 107.70 1g9l n SER 60 Ca 0.04 0.30 -0.20 0.00 -1.33 0.00 0.00 58.87 57.68 1g9l n SER 60 Cb 0.15 -0.35 -0.03 0.00 -0.75 0.00 0.00 64.21 63.22 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 -1.47 2.66 -0.04 -1.46 0.00 -0.84 -4.98 120.51 114.39 1g9l n ALA 61 Ca 0.08 -3.72 -0.08 0.00 0.00 0.00 0.00 53.44 49.71 1g9l n ALA 61 Cb 0.33 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 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 3.03 -0.13 -1.01 0.00 0.11 -1.71 -0.07 132.00 132.21 1g9l h PRO 62 Ca 0.11 0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.76 1g9l h PRO 62 Cb 0.85 0.03 -0.27 0.00 0.11 0.00 0.00 31.00 31.73 1g9l h PRO 62 CO 0.58 -0.09 0.60 -0.35 -0.21 0.00 0.00 178.00 178.52 1g9l n PRO 63 N -5.30 2.13 0.00 1.05 -0.04 -1.26 -4.37 135.00 127.21 1g9l n PRO 63 Ca -0.01 -2.65 0.00 0.00 -0.04 0.00 0.00 63.50 60.80 1g9l n PRO 63 Cb 0.22 -2.04 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 -0.90 0.00 -1.78 0.54 -0.06 -0.94 -4.99 117.38 109.25 1g9l n GLN 64 Ca 0.53 0.00 -0.33 0.00 -2.00 0.00 0.00 57.00 55.20 1g9l n GLN 64 Cb 1.44 0.00 0.05 0.00 -4.06 0.00 0.00 30.24 27.66 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 1g9l n GLU 65 N 0.00 3.00 0.10 3.69 -0.58 -1.05 -4.64 120.64 121.16 1g9l n GLU 65 Ca 0.00 -3.70 -0.04 0.00 -0.42 0.00 0.00 57.16 53.00 1g9l n GLU 65 Cb 0.00 -2.28 0.12 0.00 -0.57 0.00 0.00 31.44 28.71 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 -0.48 0.00 0.00 177.13 177.02 1g9l h GLN 66 N 2.37 0.15 -0.30 3.49 4.15 -1.21 -3.22 115.11 120.54 1g9l h GLN 66 Ca 0.51 -0.11 -0.24 0.00 0.77 0.00 0.00 58.65 59.57 1g9l h GLN 66 Cb 0.78 0.02 -0.29 0.00 0.21 0.00 0.00 27.48 28.20 1g9l h GLN 66 CO 1.28 0.75 -0.83 1.63 -1.93 0.00 0.00 178.83 179.73 1g9l n LYS 67 N -3.81 1.84 0.04 1.69 4.01 -1.26 -4.83 118.16 115.84 1g9l n LYS 67 Ca -0.02 -3.30 0.00 0.00 -0.51 0.00 0.00 58.31 54.48 1g9l n LYS 67 Cb 0.65 -1.45 0.00 0.00 -0.51 0.00 0.00 35.03 33.72 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 -1.11 0.00 0.00 177.40 177.23 1g9l n GLN 68 N -0.54 0.00 -0.03 1.97 7.27 -1.24 -4.84 117.38 119.97 1g9l n GLN 68 Ca 0.21 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.28 1g9l n GLN 68 Cb 0.89 -0.17 0.01 0.00 2.41 0.00 0.00 30.24 33.38 1g9l n GLN 68 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1g9l n MET 69 N -2.99 1.10 0.01 3.69 0.00 -1.21 -2.96 117.12 114.76 1g9l n MET 69 Ca 0.00 -0.10 -0.22 0.00 0.00 0.00 0.00 57.70 57.38 1g9l n MET 69 Cb 0.10 -1.40 -0.14 0.00 0.00 0.00 0.00 33.22 31.78 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 0.34 0.42 -2.54 3.17 -0.00 -1.88 -3.33 115.31 111.49 1g9l h LEU 70 Ca 0.00 -0.92 0.00 0.00 -0.00 0.00 0.00 57.88 56.97 1g9l h LEU 70 Cb 0.67 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 1g9l h LEU 70 CO 0.02 1.81 -0.05 0.61 -0.00 0.00 0.00 178.44 180.83 1g9l n GLY 71 N 1.92 2.20 0.00 0.17 0.00 -1.24 -4.47 105.19 103.77 1g9l n GLY 71 Ca -0.30 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.61 0.46 0.00 1.61 -0.58 -1.16 -3.32 120.64 117.03 1g9l n GLU 72 Ca 0.04 -0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.60 1g9l n GLU 72 Cb 0.45 -0.63 0.00 0.00 -0.57 0.00 0.00 31.44 30.69 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 -0.12 2.26 0.20 3.49 3.00 -1.25 -4.72 116.66 119.52 1g9l n ARG 73 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.99 1g9l n ARG 73 Cb 0.10 -0.82 0.44 0.00 0.00 0.00 0.00 32.46 32.18 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 -0.55 6.15 3.38 -1.78 -3.35 115.31 119.16 1g9l h LEU 74 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1g9l h LEU 74 Cb 0.19 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.83 1g9l h LEU 74 CO 0.00 0.00 -0.36 0.15 0.09 0.00 0.00 178.44 178.32 1g9l h PHE 75 N 0.00 -1.02 0.00 1.13 3.57 -1.87 0.38 116.94 119.12 1g9l h PHE 75 Ca 0.00 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1g9l h PHE 75 Cb 0.67 0.53 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1g9l h PHE 75 CO 0.00 -0.40 0.00 -1.00 -2.23 0.00 0.00 178.31 174.68 1g9l h PRO 76 N -0.20 0.00 0.00 6.41 0.13 -1.95 -2.05 132.00 134.34 1g9l h PRO 76 Ca 0.21 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.21 1g9l h PRO 76 Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.66 1g9l h PRO 76 CO -0.66 0.00 -2.02 1.28 -0.23 0.00 0.00 178.00 176.38 1g9l n LEU 77 N -2.33 0.11 -0.18 1.56 4.77 0.11 -4.33 117.00 116.70 1g9l n LEU 77 Ca -0.01 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 1g9l n LEU 77 Cb 0.08 0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.33 1g9l n LEU 77 CO 0.13 0.15 0.80 0.40 -1.33 0.00 0.00 177.39 177.53 1g9l h ILE 78 N 0.00 1.26 0.00 -0.08 1.08 -0.02 -2.16 117.51 117.59 1g9l h ILE 78 Ca -0.17 -1.13 0.00 0.00 -0.39 0.00 0.00 64.86 63.17 1g9l h ILE 78 Cb 1.41 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 36.10 1g9l h ILE 78 CO 0.01 0.40 0.31 1.56 -0.69 0.00 0.00 178.15 179.74 1g9l h GLN 79 N 0.81 0.00 0.15 2.37 4.20 -1.74 0.51 115.11 121.41 1g9l h GLN 79 Ca 0.15 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.56 1g9l h GLN 79 Cb 0.55 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.34 1g9l h GLN 79 CO 0.03 0.00 -1.39 0.00 -0.67 0.00 0.00 178.83 176.80 1g9l h ALA 80 N 1.32 0.11 0.03 3.87 0.00 -1.62 -3.21 119.26 119.78 1g9l h ALA 80 Ca 0.00 -0.96 -0.00 0.00 0.00 0.00 0.00 54.91 53.95 1g9l h ALA 80 Cb 0.62 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1g9l h ALA 80 CO 0.00 0.99 -0.02 0.52 0.00 0.00 0.00 179.25 180.74 1g9l h MET 81 N 0.08 -0.04 -6.20 0.00 2.86 -0.03 -3.46 114.93 108.14 1g9l h MET 81 Ca -0.19 0.00 -0.50 0.00 -2.06 0.00 0.00 59.70 56.95 1g9l h MET 81 Cb 2.02 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.65 1g9l h MET 81 CO 0.20 0.62 -0.50 -1.01 1.06 0.00 0.00 176.91 177.28 1g9l s HIS 82 N -3.17 3.12 -0.65 -0.22 4.02 -0.50 -5.00 115.29 112.88 1g9l s HIS 82 Ca -0.16 -0.13 -0.25 0.00 1.02 0.00 0.00 55.06 55.54 1g9l s HIS 82 Cb -0.01 -1.49 -0.21 0.00 -1.02 0.00 0.00 32.58 29.86 1g9l s HIS 82 CO 0.61 0.45 1.85 -0.35 1.02 0.00 0.00 174.74 178.33 1g9l n PRO 83 N -1.24 1.09 -3.87 8.40 -0.04 -1.26 -4.06 135.00 134.01 1g9l n PRO 83 Ca -0.07 -1.71 -0.31 0.00 -0.04 0.00 0.00 63.50 61.37 1g9l n PRO 83 Cb 0.58 -2.96 0.01 0.00 -0.04 0.00 0.00 33.50 31.08 1g9l n PRO 83 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1g9l n THR 84 N 6.61 -1.51 0.18 0.52 -1.04 -1.21 -4.83 114.28 112.99 1g9l n THR 84 Ca 0.48 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.58 1g9l n THR 84 Cb 0.42 -2.32 0.25 0.00 -1.82 0.00 0.00 70.33 66.87 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1g9l n LEU 85 N -4.40 3.07 0.00 -4.42 4.77 -1.26 -4.89 117.00 109.88 1g9l n LEU 85 Ca 0.04 -1.53 0.00 0.00 -0.03 0.00 0.00 56.01 54.49 1g9l n LEU 85 Cb 0.52 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1g9l n LEU 85 CO 0.73 0.77 0.00 0.00 -1.33 0.00 0.00 177.39 177.56 1g9l n ALA 86 N 1.18 0.00 0.00 -1.18 0.00 -1.26 -4.61 120.51 114.64 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 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 2.09 2.91 0.11 0.00 0.00 -1.26 -4.37 105.19 104.68 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 -0.99 0.00 0.00 1.61 3.00 -1.26 -4.92 118.16 115.60 1g9l n LYS 88 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 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 0.00 0.00 -0.34 3.15 5.41 -1.26 -3.02 119.36 123.30 1g9l n ILE 89 Ca 0.00 0.10 0.12 0.00 1.00 0.00 0.00 62.75 63.97 1g9l n ILE 89 Cb 0.51 -0.29 0.30 0.00 -0.71 0.00 0.00 39.64 39.44 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 0.71 -0.65 1.39 2.02 -1.90 0.43 112.91 114.91 1g9l h THR 90 Ca 0.00 -0.25 0.15 0.00 0.77 0.00 0.00 66.41 67.08 1g9l h THR 90 Cb 0.00 -0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 66.29 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 0.40 1.61 2.16 0.00 -1.76 0.30 103.07 106.51 1g9l h GLY 91 Ca 0.55 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.71 1g9l h GLY 91 CO -0.38 0.04 -0.67 1.98 0.00 0.00 0.00 176.54 177.51 1g9l h MET 92 N 0.24 0.00 0.00 4.80 1.85 -0.10 -3.19 114.93 118.53 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 0.89 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.92 1g9l h MET 92 CO -0.07 0.25 0.00 1.28 -0.40 0.00 0.00 176.91 177.98 1g9l n LEU 93 N -3.03 0.00 -1.60 3.39 7.99 0.10 0.97 117.00 124.83 1g9l n LEU 93 Ca -0.00 0.33 -0.02 0.00 -0.01 0.00 0.00 56.01 56.30 1g9l n LEU 93 Cb 0.68 -0.33 0.28 0.00 -0.11 0.00 0.00 43.42 43.93 1g9l n LEU 93 CO 0.39 -0.31 0.91 0.18 -1.51 0.00 0.00 177.39 177.05 1g9l n LEU 94 N -1.33 5.25 0.00 2.23 7.99 -1.19 -3.95 117.00 125.99 1g9l n LEU 94 Ca 0.01 -3.28 0.00 0.00 -0.01 0.00 0.00 56.01 52.73 1g9l n LEU 94 Cb 0.02 -0.68 0.00 0.00 -0.11 0.00 0.00 43.42 42.65 1g9l n LEU 94 CO 0.02 0.86 0.00 -1.84 -1.51 0.00 0.00 177.39 174.92 1g9l n GLU 95 N -0.43 0.00 0.00 3.23 0.28 0.27 -5.10 120.64 118.90 1g9l n GLU 95 Ca 0.35 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 1g9l n GLU 95 Cb 1.22 0.00 0.00 0.00 1.43 0.00 0.00 31.44 34.09 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 0.18 -4.64 119.36 118.74 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 0.19 -0.05 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 -4.77 116.55 119.83 1g9l n ASP 97 Ca 0.00 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1g9l n ASP 97 Cb 0.00 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.23 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 -1.15 0.00 0.18 1.67 4.13 -1.26 -4.65 115.26 114.17 1g9l n ASN 98 Ca 0.00 0.00 0.06 0.00 1.68 0.00 0.00 54.58 56.32 1g9l n ASN 98 Cb 0.01 -0.01 0.26 0.00 -1.54 0.00 0.00 39.78 38.50 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1g9l h SER 99 N 0.00 0.00 1.20 6.41 0.02 -1.98 -1.50 113.55 117.71 1g9l h SER 99 Ca 0.00 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 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 0.38 -0.83 -0.33 -1.14 0.00 0.00 176.83 174.91 1g9l h GLU 100 N 0.00 0.00 0.00 3.45 5.08 -1.92 -0.77 114.58 120.41 1g9l h GLU 100 Ca -0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 1g9l h GLU 100 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1g9l h GLU 100 CO 0.05 0.53 -0.44 1.25 -1.00 0.00 0.00 179.01 179.40 1g9l h LEU 101 N 0.00 0.00 0.05 1.33 5.85 -1.61 -1.63 115.31 119.29 1g9l h LEU 101 Ca -0.05 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.50 1g9l h LEU 101 Cb 1.51 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.53 1g9l h LEU 101 CO 0.07 0.44 -0.91 -0.07 -0.34 0.00 0.00 178.44 177.64 1g9l h LEU 102 N 0.00 0.15 -0.67 2.25 3.38 -1.22 -3.32 115.31 115.88 1g9l h LEU 102 Ca -0.00 -0.79 -0.12 0.00 0.09 0.00 0.00 57.88 57.06 1g9l h LEU 102 Cb 1.10 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1g9l h LEU 102 CO 0.06 1.38 -0.21 -0.74 0.09 0.00 0.00 178.44 179.02 1g9l h HIS 103 N -0.74 0.92 -0.67 1.13 2.76 -1.21 -1.72 115.15 115.61 1g9l h HIS 103 Ca -0.22 -0.21 0.05 0.00 -2.20 0.00 0.00 60.37 57.79 1g9l h HIS 103 Cb 1.38 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 30.08 1g9l h HIS 103 CO 0.17 0.95 0.44 0.00 -1.30 0.00 0.00 177.93 178.19 1g9l h MET 104 N 0.71 0.72 0.00 5.26 -0.00 -1.46 0.72 114.93 120.88 1g9l h MET 104 Ca 0.10 -0.04 0.00 0.00 -0.00 0.00 0.00 59.70 59.76 1g9l h MET 104 Cb 0.73 -0.16 0.00 0.00 -0.00 0.00 0.00 31.60 32.17 1g9l h MET 104 CO 0.06 0.48 -0.45 1.28 -0.00 0.00 0.00 176.91 178.27 1g9l n LEU 105 N -4.47 0.57 -0.17 -0.10 4.77 -1.11 -2.80 117.00 113.70 1g9l n LEU 105 Ca 0.09 0.23 0.09 0.00 -0.03 0.00 0.00 56.01 56.39 1g9l n LEU 105 Cb 0.18 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 1g9l n LEU 105 CO 0.34 -0.01 0.08 -0.62 -1.33 0.00 0.00 177.39 175.86 1g9l n GLU 106 N -1.87 1.08 -3.75 3.23 -0.58 0.33 -4.77 120.64 114.32 1g9l n GLU 106 Ca 0.05 -0.35 -0.12 0.00 -0.42 0.00 0.00 57.16 56.31 1g9l n GLU 106 Cb 0.40 -1.38 -0.12 0.00 -0.57 0.00 0.00 31.44 29.76 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 -2.55 -0.29 0.00 1.62 0.15 0.22 -5.02 113.70 107.83 1g9l s SER 107 Ca 0.10 0.56 0.15 0.00 0.70 0.00 0.00 55.95 57.47 1g9l s SER 107 Cb 0.15 0.50 0.91 0.00 -1.71 0.00 0.00 66.02 65.86 1g9l s SER 107 CO 0.66 -0.13 1.35 -0.81 1.20 0.00 0.00 173.24 175.50 1g9l n PRO 108 N 3.65 0.61 0.00 5.44 -0.04 -1.26 -2.37 135.00 141.03 1g9l n PRO 108 Ca -0.20 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1g9l n PRO 108 Cb 0.55 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.89 3.68 -0.03 0.54 1.02 -1.26 -4.68 120.64 119.02 1g9l n GLU 109 Ca 0.11 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.10 1g9l n GLU 109 Cb 0.05 -0.52 -0.09 0.00 -0.02 0.00 0.00 31.44 30.87 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 0.47 -0.36 1.62 0.02 -1.70 0.14 113.55 113.73 1g9l h SER 110 Ca 0.00 -0.64 0.09 0.00 -0.84 0.00 0.00 61.79 60.40 1g9l h SER 110 Cb 0.00 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1g9l h SER 110 CO 0.00 1.03 0.26 0.25 -1.14 0.00 0.00 176.83 177.22 1g9l h LEU 111 N -0.06 0.08 0.07 5.07 6.46 -1.65 0.63 115.31 125.90 1g9l h LEU 111 Ca -0.02 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.44 1g9l h LEU 111 Cb 1.01 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.90 1g9l h LEU 111 CO 0.08 0.05 -1.63 -0.09 -0.62 0.00 0.00 178.44 176.22 1g9l h ARG 112 N 0.09 0.15 -0.28 1.25 2.43 -1.82 -2.79 114.38 113.40 1g9l h ARG 112 Ca 0.17 -0.25 -0.11 0.00 -0.81 0.00 0.00 59.98 58.98 1g9l h ARG 112 Cb 0.57 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1g9l h ARG 112 CO -0.02 1.12 -0.29 0.77 -1.51 0.00 0.00 179.97 180.05 1g9l h SER 113 N -0.43 0.59 0.99 -3.80 0.02 -0.43 -0.13 113.55 110.36 1g9l h SER 113 Ca -0.38 -0.22 -0.19 0.00 -0.84 0.00 0.00 61.79 60.16 1g9l h SER 113 Cb 1.69 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 64.04 1g9l h SER 113 CO -0.05 0.85 -0.89 0.11 -1.14 0.00 0.00 176.83 175.72 1g9l h LYS 114 N 0.50 0.00 0.11 3.45 1.79 0.09 -1.88 116.57 120.62 1g9l h LYS 114 Ca 0.06 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1g9l h LYS 114 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1g9l h LYS 114 CO 0.06 0.89 -0.05 0.28 -1.08 0.00 0.00 179.45 179.54 1g9l h VAL 115 N 0.00 1.11 -0.54 0.50 2.07 -1.26 0.59 116.25 118.72 1g9l h VAL 115 Ca -0.01 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.46 1g9l h VAL 115 Cb 1.62 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 33.13 1g9l h VAL 115 CO 0.12 0.25 0.36 -0.78 0.02 0.00 0.00 177.57 177.54 1g9l h ASP 116 N -0.67 0.55 0.97 0.57 1.82 -1.11 0.86 116.42 119.42 1g9l h ASP 116 Ca -0.01 -0.01 -0.18 0.00 -0.39 0.00 0.00 57.03 56.44 1g9l h ASP 116 Cb 0.52 -0.13 -0.03 0.00 0.68 0.00 0.00 39.33 40.38 1g9l h ASP 116 CO 0.02 0.38 -0.84 -0.33 -1.61 0.00 0.00 179.24 176.86 1g9l h GLU 117 N 0.63 0.00 0.00 0.28 3.07 -1.28 -2.99 114.58 114.29 1g9l h GLU 117 Ca 0.22 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 59.02 1g9l h GLU 117 Cb 0.08 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 1g9l h GLU 117 CO -0.06 0.84 -0.27 0.00 -1.40 0.00 0.00 179.01 178.13 1g9l h ALA 118 N 1.16 1.09 0.11 3.43 0.00 0.23 -2.61 119.26 122.67 1g9l h ALA 118 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1g9l h ALA 118 Cb 1.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1g9l h ALA 118 CO 0.11 0.33 -0.05 0.28 0.00 0.00 0.00 179.25 179.92 1g9l h VAL 119 N 0.00 1.02 -0.15 0.00 2.07 -0.78 0.91 116.25 119.32 1g9l h VAL 119 Ca -0.00 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.03 1g9l h VAL 119 Cb 0.70 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1g9l h VAL 119 CO 0.03 0.13 0.22 0.00 0.02 0.00 0.00 177.57 177.97 1g9l h ALA 120 N 0.45 1.67 0.03 1.67 0.00 -1.50 0.25 119.26 121.84 1g9l h ALA 120 Ca -0.02 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 1g9l h ALA 120 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1g9l h ALA 120 CO 0.03 -0.29 -1.53 0.28 0.00 0.00 0.00 179.25 177.73 1g9l h VAL 121 N 0.00 1.09 -0.06 0.00 2.07 -0.94 -2.77 116.25 115.64 1g9l h VAL 121 Ca 0.07 -2.86 -0.22 0.00 0.82 0.00 0.00 66.70 64.52 1g9l h VAL 121 Cb 0.50 2.59 0.01 0.00 -1.52 0.00 0.00 31.29 32.87 1g9l h VAL 121 CO -0.00 0.70 -0.86 0.25 0.02 0.00 0.00 177.57 177.67 1g9l h LEU 122 N 0.02 0.67 -0.33 2.57 5.85 0.37 -2.31 115.31 122.15 1g9l h LEU 122 Ca -0.23 -0.49 -0.05 0.00 0.84 0.00 0.00 57.88 57.96 1g9l h LEU 122 Cb 1.96 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.78 1g9l h LEU 122 CO 0.11 1.27 -0.24 1.56 -0.34 0.00 0.00 178.44 180.80 1g9l h GLN 123 N 0.34 0.00 0.00 1.25 1.08 -0.80 0.39 115.11 117.37 1g9l h GLN 123 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1g9l h GLN 123 Cb 1.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.91 1g9l h GLN 123 CO 0.16 0.24 -0.13 0.00 -0.95 0.00 0.00 178.83 178.15 1g9l h ALA 124 N 1.76 0.92 0.00 3.87 0.00 -1.37 -3.17 119.26 121.27 1g9l h ALA 124 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1g9l h ALA 124 Cb 1.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 1g9l h ALA 124 CO 0.03 0.00 -1.96 1.58 0.00 0.00 0.00 179.25 178.90 1g9l n HIS 125 N -2.37 0.00 0.00 0.00 -0.00 -0.88 -3.93 115.22 108.04 1g9l n HIS 125 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.77 1g9l n HIS 125 Cb 0.45 -0.63 0.00 0.00 -0.00 0.00 0.00 29.99 29.81 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 -3.42 0.00 -1.98 1.57 6.02 0.12 -3.29 117.38 116.39 1g9l n GLN 126 Ca -0.32 0.05 -0.41 0.00 -0.01 0.00 0.00 57.00 56.32 1g9l n GLN 126 Cb 0.77 -1.03 -0.01 0.00 1.02 0.00 0.00 30.24 31.00 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 -0.61 6.53 -1.89 -1.58 0.00 -1.20 -4.96 120.51 116.79 1g9l n ALA 127 Ca 0.00 -4.06 -0.42 0.00 0.00 0.00 0.00 53.44 48.95 1g9l n ALA 127 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 19.45 16.50 1g9l n ALA 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1g9l s LYS 128 N -0.24 4.18 0.00 0.00 -2.85 -1.21 -4.64 119.74 114.98 1g9l s LYS 128 Ca 0.52 2.37 0.20 0.00 -1.00 0.00 0.00 55.97 58.06 1g9l s LYS 128 Cb 0.16 -3.71 0.82 0.00 -2.06 0.00 0.00 37.83 33.04 1g9l s LYS 128 CO -0.07 -0.79 1.57 -1.91 0.10 0.00 0.00 175.35 174.26 1g9l n GLU 129 N 6.03 1.54 0.33 1.78 0.00 -1.26 -4.04 120.64 125.03 1g9l n GLU 129 Ca 0.17 -0.82 0.21 0.00 0.00 0.00 0.00 57.16 56.72 1g9l n GLU 129 Cb 0.41 -1.36 1.14 0.00 0.00 0.00 0.00 31.44 31.62 1g9l n GLU 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1g9l h ALA 130 N 3.91 1.15 -2.38 4.31 0.00 -1.89 -3.41 119.26 120.95 1g9l h ALA 130 Ca 0.00 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1g9l h ALA 130 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1g9l h ALA 130 CO 0.00 -0.02 0.69 0.00 0.00 0.00 0.00 179.25 179.92 1g9l s ALA 131 N -4.26 3.48 0.00 0.00 0.00 -1.26 -4.97 121.76 114.75 1g9l s ALA 131 Ca -0.05 0.75 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1g9l s ALA 131 Cb 0.13 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1g9l s ALA 131 CO 0.44 -0.70 0.34 1.04 0.00 0.00 0.00 175.76 176.88 1g9l n GLN 132 N 4.85 0.00 -2.24 0.00 6.02 -1.26 -4.27 117.38 120.47 1g9l n GLN 132 Ca 0.11 0.41 -0.42 0.00 -0.01 0.00 0.00 57.00 57.08 1g9l n GLN 132 Cb 0.46 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.63 1g9l n GLN 132 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1g9l n LYS 133 N -1.72 3.48 -3.16 -1.09 2.85 -1.26 -4.98 118.16 112.29 1g9l n LYS 133 Ca 0.00 -3.37 -0.38 0.00 -1.05 0.00 0.00 58.31 53.51 1g9l n LYS 133 Cb 0.00 -2.99 -0.06 0.00 -0.65 0.00 0.00 35.03 31.33 1g9l n LYS 133 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1g9l s ALA 134 N 0.92 3.52 0.19 0.58 0.00 -1.26 -5.05 121.76 120.66 1g9l s ALA 134 Ca 0.41 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 1g9l s ALA 134 Cb 0.10 -2.76 -0.08 0.00 0.00 0.00 0.00 23.12 20.38 1g9l s ALA 134 CO -0.01 0.36 1.05 0.14 0.00 0.00 0.00 175.76 177.29 1g9l s VAL 135 N -1.21 3.96 0.26 0.00 -7.23 -1.26 -5.04 120.40 109.89 1g9l s VAL 135 Ca 0.34 1.77 -0.15 0.00 -1.81 0.00 0.00 61.98 62.12 1g9l s VAL 135 Cb -0.20 -4.13 -0.08 0.00 0.56 0.00 0.00 36.38 32.53 1g9l s VAL 135 CO 0.22 0.34 0.67 0.54 -0.31 0.00 0.00 175.10 176.56 1g9l s ASN 136 N -0.39 6.82 -0.02 4.85 2.20 -1.26 -4.99 114.94 122.15 1g9l s ASN 136 Ca 0.47 1.22 0.21 0.00 -0.94 0.00 0.00 52.86 53.82 1g9l s ASN 136 Cb -0.28 -2.35 -0.28 0.00 -2.00 0.00 0.00 41.25 36.34 1g9l s ASN 136 CO 0.34 -0.08 0.50 -1.20 -2.94 0.00 0.00 177.10 173.73 1g9l n SER 137 N 0.09 0.13 -4.69 3.54 7.64 -1.26 -4.93 113.62 114.14 1g9l n SER 137 Ca 0.00 0.05 -0.42 0.00 1.01 0.00 0.00 58.87 59.51 1g9l n SER 137 Cb 0.52 1.63 -0.03 0.00 -1.01 0.00 0.00 64.21 65.32 1g9l n SER 137 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g9l s ALA 138 N -3.35 3.59 0.19 -0.43 0.00 -1.26 -5.02 121.76 115.48 1g9l s ALA 138 Ca -0.07 0.95 0.06 0.00 0.00 0.00 0.00 51.96 52.89 1g9l s ALA 138 Cb 0.12 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 1g9l s ALA 138 CO 0.88 -0.88 0.14 0.95 0.00 0.00 0.00 175.76 176.85 1g9l s THR 139 N 2.22 4.39 0.00 0.00 -4.23 -1.26 -5.13 115.64 111.62 1g9l s THR 139 Ca 0.65 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1g9l s THR 139 Cb -0.33 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.24 1g9l s THR 139 CO 0.28 -0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1g9l n GLY 140 N -0.55 2.39 3.67 3.99 0.00 -1.26 -5.07 105.19 108.37 1g9l n GLY 140 Ca -0.08 -2.04 -0.41 0.00 0.00 0.00 0.00 46.02 43.49 1g9l n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g9l s VAL 141 N 1.92 4.90 -1.11 1.61 1.01 -1.26 -4.96 120.40 122.51 1g9l s VAL 141 Ca 0.00 1.60 -0.24 0.00 0.00 0.00 0.00 61.98 63.35 1g9l s VAL 141 Cb 0.00 -4.12 -0.11 0.00 0.00 0.00 0.00 36.38 32.14 1g9l s VAL 141 CO 0.00 0.05 1.99 -2.84 0.00 0.00 0.00 175.10 174.30 1g9l s PRO 142 N 2.03 2.19 0.60 2.72 0.02 -1.26 -4.93 135.00 136.38 1g9l s PRO 142 Ca 0.38 -0.82 0.01 0.00 0.02 0.00 0.00 61.00 60.59 1g9l s PRO 142 Cb -0.17 -5.14 0.06 0.00 0.02 0.00 0.00 34.50 29.27 1g9l s PRO 142 CO 0.13 -4.23 0.84 0.99 -0.33 0.00 0.00 177.00 174.40 1g9l s THR 143 N 12.28 2.51 -2.71 0.99 2.01 -1.26 -5.36 115.64 124.10 1g9l s THR 143 Ca 0.72 -0.64 0.22 0.00 0.31 0.00 0.00 61.69 62.30 1g9l s THR 143 Cb -0.03 -2.87 0.17 0.00 0.01 0.00 0.00 72.50 69.78 1g9l s THR 143 CO 0.12 0.00 1.19 0.55 -0.69 0.00 0.00 174.62 175.79