#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 0.77 -6.57 1.61 0.13 -1.99 -3.45 132.00 122.50 1g9l h PRO 2 Ca 0.00 -0.26 -0.46 0.00 -0.87 0.00 0.00 66.00 64.41 1g9l h PRO 2 Cb 0.00 -0.06 0.03 0.00 0.13 0.00 0.00 31.00 31.10 1g9l h PRO 2 CO 0.00 0.86 -0.16 -1.17 -0.23 0.00 0.00 178.00 177.30 1g9l s LEU 3 N -9.00 3.34 -0.17 1.56 2.96 -1.26 -5.00 118.68 111.11 1g9l s LEU 3 Ca -0.09 -0.64 0.04 0.00 -0.22 0.00 0.00 54.13 53.21 1g9l s LEU 3 Cb 0.14 -2.09 0.34 0.00 0.50 0.00 0.00 46.19 45.07 1g9l s LEU 3 CO 0.82 -1.11 1.28 0.61 -1.32 0.00 0.00 176.35 176.64 1g9l n GLY 4 N -2.09 2.75 0.07 7.98 0.00 -1.26 -3.85 105.19 108.78 1g9l n GLY 4 Ca 0.12 -0.47 -0.01 0.00 0.00 0.00 0.00 46.02 45.66 1g9l n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1g9l n SER 5 N -0.03 0.28 -4.75 1.61 3.41 -1.26 -4.97 113.62 107.90 1g9l n SER 5 Ca 0.21 0.12 -0.24 0.00 -0.26 0.00 0.00 58.87 58.71 1g9l n SER 5 Cb 0.90 1.02 0.09 0.00 -0.26 0.00 0.00 64.21 65.95 1g9l n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g9l s ALA 6 N -2.93 3.57 0.91 7.33 0.00 -1.25 -5.07 121.76 124.32 1g9l s ALA 6 Ca -0.07 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.42 1g9l s ALA 6 Cb 0.09 -2.17 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1g9l s ALA 6 CO 0.85 -1.32 0.00 0.00 0.00 0.00 0.00 175.76 175.29 1g9l n ALA 7 N -2.78 0.00 -3.53 0.00 0.00 -1.26 -4.66 120.51 108.27 1g9l n ALA 7 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.36 1g9l n ALA 7 Cb 0.60 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.11 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 -3.00 -2.18 0.03 0.00 0.00 -1.26 -3.57 120.51 110.54 1g9l n ALA 8 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1g9l n ALA 8 Cb 0.00 -3.11 0.00 0.00 0.00 0.00 0.00 19.45 16.34 1g9l n ALA 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g9l n ALA 9 N -4.01 2.26 -3.64 0.00 0.00 -1.26 -4.69 120.51 109.18 1g9l n ALA 9 Ca -0.23 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.14 1g9l n ALA 9 Cb 0.65 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.04 1g9l n ALA 9 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1g9l s THR 10 N -1.18 0.00 -1.39 0.00 -1.32 -1.26 -5.03 115.64 105.46 1g9l s THR 10 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1g9l s THR 10 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1g9l s THR 10 CO 0.00 0.00 0.65 -0.81 -2.21 0.00 0.00 174.62 172.25 1g9l n PRO 11 N 3.18 0.94 0.23 7.08 -0.04 -1.26 -3.77 135.00 141.35 1g9l n PRO 11 Ca -0.16 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1g9l n PRO 11 Cb 0.57 -1.29 0.51 0.00 -0.04 0.00 0.00 33.50 33.25 1g9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g9l h ALA 12 N 2.30 1.07 -0.35 0.55 0.00 -2.05 -2.43 119.26 118.34 1g9l h ALA 12 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1g9l h ALA 12 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1g9l h ALA 12 CO 0.00 0.27 0.00 1.33 0.00 0.00 0.00 179.25 180.85 1g9l n VAL 13 N -3.44 0.67 -3.18 0.00 0.24 -1.25 -4.70 118.33 106.66 1g9l n VAL 13 Ca -0.00 -0.53 -0.46 0.00 -2.04 0.00 0.00 64.34 61.31 1g9l n VAL 13 Cb 0.40 0.12 -0.02 0.00 -1.47 0.00 0.00 33.84 32.86 1g9l n VAL 13 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1g9l s ARG 14 N -1.58 3.61 0.26 7.34 6.06 -0.92 -5.02 118.95 128.69 1g9l s ARG 14 Ca 0.25 -2.22 0.02 0.00 -2.50 0.00 0.00 55.73 51.29 1g9l s ARG 14 Cb 0.14 -4.61 0.05 0.00 0.06 0.00 0.00 34.95 30.59 1g9l s ARG 14 CO 0.15 -1.46 0.36 0.25 -2.50 0.00 0.00 175.30 172.09 1g9l n THR 15 N 4.51 0.00 -3.78 4.11 -2.24 -1.26 -5.08 114.28 110.53 1g9l n THR 15 Ca 0.18 -0.73 -0.36 0.00 -2.27 0.00 0.00 64.05 60.86 1g9l n THR 15 Cb 0.48 -0.95 -0.12 0.00 -2.10 0.00 0.00 70.33 67.65 1g9l n THR 15 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1g9l s VAL 16 N -0.71 3.28 0.05 2.28 -7.23 -1.26 -4.95 120.40 111.85 1g9l s VAL 16 Ca 0.26 -2.22 -0.16 0.00 -1.81 0.00 0.00 61.98 58.05 1g9l s VAL 16 Cb -0.02 -3.24 -0.24 0.00 0.56 0.00 0.00 36.38 33.44 1g9l s VAL 16 CO 0.17 -0.72 1.15 1.55 -0.31 0.00 0.00 175.10 176.94 1g9l h PRO 17 N 7.85 0.63 0.00 4.82 0.13 -2.02 -3.46 132.00 139.94 1g9l h PRO 17 Ca -0.11 -0.70 -0.18 0.00 -0.87 0.00 0.00 66.00 64.14 1g9l h PRO 17 Cb 1.03 0.21 0.02 0.00 0.13 0.00 0.00 31.00 32.39 1g9l h PRO 17 CO 0.69 1.29 0.01 1.04 -0.23 0.00 0.00 178.00 180.80 1g9l n GLN 18 N -3.93 0.59 0.00 0.86 6.02 -1.26 -5.12 117.38 114.54 1g9l n GLN 18 Ca -0.11 -1.13 0.00 0.00 -0.01 0.00 0.00 57.00 55.74 1g9l n GLN 18 Cb 0.85 -0.18 0.00 0.00 1.02 0.00 0.00 30.24 31.94 1g9l n GLN 18 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1g9l n TYR 19 N -1.73 -2.77 0.98 1.08 4.01 -1.26 -4.91 117.16 112.57 1g9l n TYR 19 Ca 0.06 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.83 1g9l n TYR 19 Cb 0.23 0.00 0.10 0.00 -0.31 0.00 0.00 39.34 39.36 1g9l n TYR 19 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 1g9l n LYS 20 N -0.99 1.72 -2.92 -0.72 3.00 -1.26 -4.68 118.16 112.31 1g9l n LYS 20 Ca 0.00 -0.78 -0.44 0.00 -0.00 0.00 0.00 58.31 57.10 1g9l n LYS 20 Cb 0.00 -1.40 -0.02 0.00 0.00 0.00 0.00 35.03 33.62 1g9l n LYS 20 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1g9l s TYR 21 N -1.62 3.25 -0.08 5.64 6.14 -1.26 -4.81 117.35 124.61 1g9l s TYR 21 Ca 0.14 -1.67 -0.04 0.00 0.64 0.00 0.00 57.07 56.14 1g9l s TYR 21 Cb 0.09 -4.31 -0.01 0.00 0.42 0.00 0.00 41.96 38.14 1g9l s TYR 21 CO 0.07 -1.47 -0.09 0.00 0.64 0.00 0.00 175.55 174.71 1g9l h ALA 22 N 8.20 0.00 -2.29 3.97 0.00 -1.99 -3.48 119.26 123.66 1g9l h ALA 22 Ca 0.22 -0.34 -0.51 0.00 0.00 0.00 0.00 54.91 54.28 1g9l h ALA 22 Cb 0.96 0.25 0.16 0.00 0.00 0.00 0.00 17.79 19.16 1g9l h ALA 22 CO 1.17 0.25 0.26 0.00 0.00 0.00 0.00 179.25 180.93 1g9l s ALA 23 N -2.84 1.78 -2.43 0.00 0.00 -1.26 -4.95 121.76 112.06 1g9l s ALA 23 Ca -0.07 0.38 0.24 0.00 0.00 0.00 0.00 51.96 52.51 1g9l s ALA 23 Cb 0.01 -3.35 0.25 0.00 0.00 0.00 0.00 23.12 20.04 1g9l s ALA 23 CO 0.11 -2.31 1.27 0.41 0.00 0.00 0.00 175.76 175.24 1g9l n GLY 24 N -0.52 0.34 3.77 0.00 0.00 -1.26 -4.94 105.19 102.59 1g9l n GLY 24 Ca 0.10 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 1g9l n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g9l s VAL 25 N -2.25 4.25 0.70 1.61 0.11 -1.26 -5.07 120.40 118.49 1g9l s VAL 25 Ca 0.25 1.84 -0.11 0.00 -2.93 0.00 0.00 61.98 61.03 1g9l s VAL 25 Cb 0.19 -4.19 0.16 0.00 -1.53 0.00 0.00 36.38 31.01 1g9l s VAL 25 CO 0.44 0.47 0.95 0.54 -3.33 0.00 0.00 175.10 174.16 1g9l n ARG 26 N 1.43 -0.83 -2.94 1.54 1.74 -1.26 -5.01 116.66 111.33 1g9l n ARG 26 Ca -0.04 -1.57 -0.43 0.00 -0.77 0.00 0.00 57.85 55.05 1g9l n ARG 26 Cb 0.48 -0.94 -0.05 0.00 -1.02 0.00 0.00 32.46 30.93 1g9l n ARG 26 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1g9l s ASN 27 N -4.50 6.39 0.00 0.55 0.01 -1.26 -4.98 114.94 111.15 1g9l s ASN 27 Ca 0.55 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.50 1g9l s ASN 27 Cb -0.02 -2.40 0.00 0.00 0.41 0.00 0.00 41.25 39.25 1g9l s ASN 27 CO 0.38 -0.99 0.52 -0.81 -1.51 0.00 0.00 177.10 174.68 1g9l n PRO 28 N 6.88 0.00 -3.06 -0.60 -0.04 -1.26 -4.65 135.00 132.27 1g9l n PRO 28 Ca 0.02 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.26 1g9l n PRO 28 Cb 0.48 -1.07 -0.06 0.00 -0.04 0.00 0.00 33.50 32.81 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 -1.43 3.76 0.62 0.54 2.00 -1.26 -5.05 119.66 118.84 1g9l s GLN 29 Ca 0.00 0.21 0.07 0.00 -2.00 0.00 0.00 55.36 53.64 1g9l s GLN 29 Cb 0.00 -3.79 0.10 0.00 0.80 0.00 0.00 33.01 30.13 1g9l s GLN 29 CO 0.00 -0.73 0.86 1.14 -0.50 0.00 0.00 175.29 176.06 1g9l s GLN 30 N 2.80 2.10 -0.16 1.67 -2.07 -1.26 -5.04 119.66 117.70 1g9l s GLN 30 Ca 0.27 -1.53 0.14 0.00 -1.82 0.00 0.00 55.36 52.42 1g9l s GLN 30 Cb -0.14 -2.56 0.37 0.00 -1.09 0.00 0.00 33.01 29.59 1g9l s GLN 30 CO 0.14 -1.05 1.19 0.72 -1.32 0.00 0.00 175.29 174.97 1g9l n HIS 31 N -2.42 0.00 -2.52 9.60 8.25 -1.26 -5.06 115.22 121.81 1g9l n HIS 31 Ca 0.16 -1.20 -0.23 0.00 -0.26 0.00 0.00 57.72 56.20 1g9l n HIS 31 Cb 0.61 -0.21 0.04 0.00 1.12 0.00 0.00 29.99 31.56 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 -2.61 3.15 -1.00 2.41 2.01 -1.26 -5.03 118.68 116.35 1g9l s LEU 32 Ca 0.34 0.17 -0.12 0.00 0.01 0.00 0.00 54.13 54.53 1g9l s LEU 32 Cb 0.33 -2.98 0.24 0.00 0.01 0.00 0.00 46.19 43.79 1g9l s LEU 32 CO -0.06 -1.26 1.01 0.20 1.01 0.00 0.00 176.35 177.26 1g9l s ASN 33 N -4.44 7.04 -0.39 2.29 -0.87 -1.26 -4.87 114.94 112.45 1g9l s ASN 33 Ca 0.58 -3.08 0.00 0.00 -1.57 0.00 0.00 52.86 48.79 1g9l s ASN 33 Cb -0.10 -2.24 0.37 0.00 -0.02 0.00 0.00 41.25 39.25 1g9l s ASN 33 CO 0.40 -0.50 1.85 0.00 -2.57 0.00 0.00 177.10 176.29 1g9l n ALA 34 N 3.74 5.16 -0.08 0.60 0.00 -1.26 -4.42 120.51 124.26 1g9l n ALA 34 Ca 0.21 -2.19 -0.14 0.00 0.00 0.00 0.00 53.44 51.33 1g9l n ALA 34 Cb 0.43 -1.43 -0.10 0.00 0.00 0.00 0.00 19.45 18.35 1g9l n ALA 34 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1g9l h GLN 35 N 1.24 0.00 0.00 0.00 1.08 -2.05 -3.33 115.11 112.04 1g9l h GLN 35 Ca 0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 1g9l h GLN 35 Cb 1.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.92 1g9l h GLN 35 CO 0.94 0.80 0.00 -2.30 -0.95 0.00 0.00 178.83 177.33 1g9l n PRO 36 N -4.59 0.09 -2.98 1.46 -0.02 -1.26 -4.52 135.00 123.18 1g9l n PRO 36 Ca -0.14 0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 61.29 1g9l n PRO 36 Cb 0.46 -1.70 -0.05 0.00 -0.02 0.00 0.00 33.50 32.18 1g9l n PRO 36 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1g9l s GLN 37 N -3.19 3.30 -0.16 -0.52 -0.21 -1.25 -5.03 119.66 112.59 1g9l s GLN 37 Ca 0.04 -0.37 -0.11 0.00 0.02 0.00 0.00 55.36 54.94 1g9l s GLN 37 Cb 0.08 -4.02 -0.05 0.00 1.00 0.00 0.00 33.01 30.03 1g9l s GLN 37 CO 0.28 -1.26 0.19 0.14 -2.12 0.00 0.00 175.29 172.53 1g9l s VAL 38 N 3.31 5.38 0.09 1.09 -7.23 -1.26 -4.99 120.40 116.78 1g9l s VAL 38 Ca 0.26 0.32 -0.24 0.00 -1.81 0.00 0.00 61.98 60.51 1g9l s VAL 38 Cb -0.14 -3.51 -0.06 0.00 0.56 0.00 0.00 36.38 33.22 1g9l s VAL 38 CO 0.19 0.47 0.75 0.28 -0.31 0.00 0.00 175.10 176.47 1g9l s THR 39 N 0.04 4.61 -0.24 5.32 -1.32 -1.26 -5.05 115.64 117.74 1g9l s THR 39 Ca 0.13 1.61 -0.08 0.00 -1.21 0.00 0.00 61.69 62.13 1g9l s THR 39 Cb -0.12 -4.10 -0.04 0.00 -1.51 0.00 0.00 72.50 66.73 1g9l s THR 39 CO 0.02 0.44 0.10 -0.04 -2.21 0.00 0.00 174.62 172.93 1g9l s MET 40 N -0.54 3.85 -0.38 7.08 -1.94 -1.26 -4.72 119.30 121.39 1g9l s MET 40 Ca 0.36 -0.39 -0.14 0.00 -1.71 0.00 0.00 55.69 53.82 1g9l s MET 40 Cb -0.21 -3.39 0.02 0.00 2.01 0.00 0.00 34.83 33.25 1g9l s MET 40 CO 0.24 -0.04 0.42 0.94 -0.01 0.00 0.00 175.02 176.57 1g9l n GLN 41 N 4.52 -2.50 -3.28 2.03 7.27 -1.26 -5.03 117.38 119.13 1g9l n GLN 41 Ca -0.16 2.14 -0.13 0.00 0.07 0.00 0.00 57.00 58.92 1g9l n GLN 41 Cb 0.52 -4.89 -0.06 0.00 2.41 0.00 0.00 30.24 28.22 1g9l n GLN 41 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1g9l s GLN 42 N -2.25 0.74 -0.50 3.69 2.00 -1.26 -5.10 119.66 116.97 1g9l s GLN 42 Ca 0.19 -0.88 -0.28 0.00 -2.00 0.00 0.00 55.36 52.39 1g9l s GLN 42 Cb -0.04 -0.56 -0.09 0.00 0.80 0.00 0.00 33.01 33.12 1g9l s GLN 42 CO 0.75 -1.23 2.40 -2.30 -0.50 0.00 0.00 175.29 174.41 1g9l n PRO 43 N 4.02 1.05 -2.43 1.67 -0.02 -1.26 -4.86 135.00 133.18 1g9l n PRO 43 Ca 0.13 0.11 -0.43 0.00 -2.02 0.00 0.00 63.50 61.30 1g9l n PRO 43 Cb 0.49 -3.05 0.00 0.00 -0.02 0.00 0.00 33.50 30.92 1g9l n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g9l n ALA 44 N 13.89 3.91 -1.97 3.55 0.00 -1.26 -4.96 120.51 133.67 1g9l n ALA 44 Ca 0.40 -3.86 -0.21 0.00 0.00 0.00 0.00 53.44 49.77 1g9l n ALA 44 Cb 0.43 -3.60 0.04 0.00 0.00 0.00 0.00 19.45 16.32 1g9l n ALA 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1g9l s VAL 45 N 4.04 2.63 -1.42 0.00 -7.23 -1.26 -4.99 120.40 112.16 1g9l s VAL 45 Ca 0.53 -0.63 -0.07 0.00 -1.81 0.00 0.00 61.98 59.99 1g9l s VAL 45 Cb 0.06 -2.99 0.05 0.00 0.56 0.00 0.00 36.38 34.06 1g9l s VAL 45 CO 0.05 0.00 2.56 1.57 -0.31 0.00 0.00 175.10 178.97 1g9l n HIS 46 N -2.39 2.56 -3.54 2.82 -0.00 -1.26 -4.95 115.22 108.45 1g9l n HIS 46 Ca 0.08 -2.91 -0.37 0.00 0.46 0.00 0.00 57.72 54.98 1g9l n HIS 46 Cb 0.60 -2.06 -0.06 0.00 -0.12 0.00 0.00 29.99 28.35 1g9l n HIS 46 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1g9l s VAL 47 N -0.01 5.07 -0.07 3.57 0.11 -1.26 -5.06 120.40 122.75 1g9l s VAL 47 Ca 0.59 0.66 -0.28 0.00 -2.93 0.00 0.00 61.98 60.02 1g9l s VAL 47 Cb 0.18 -3.67 -0.02 0.00 -1.53 0.00 0.00 36.38 31.34 1g9l s VAL 47 CO -0.08 0.46 0.92 -1.10 -3.33 0.00 0.00 175.10 171.97 1g9l s GLN 48 N -1.43 4.46 -0.25 1.54 -0.21 -1.26 -4.94 119.66 117.57 1g9l s GLN 48 Ca 0.27 1.27 0.04 0.00 0.02 0.00 0.00 55.36 56.96 1g9l s GLN 48 Cb -0.15 -3.50 0.45 0.00 1.00 0.00 0.00 33.01 30.81 1g9l s GLN 48 CO 0.15 -0.15 1.52 0.41 -2.12 0.00 0.00 175.29 175.10 1g9l n GLY 49 N 3.07 3.33 2.84 3.09 0.00 -1.26 -4.63 105.19 111.62 1g9l n GLY 49 Ca 0.05 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1g9l n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g9l n GLN 50 N -0.33 3.39 -2.87 1.61 10.64 -1.26 -5.04 117.38 123.52 1g9l n GLN 50 Ca 0.33 -4.58 -0.42 0.00 -1.83 0.00 0.00 57.00 50.51 1g9l n GLN 50 Cb 1.16 -2.41 -0.04 0.00 -0.86 0.00 0.00 30.24 28.09 1g9l n GLN 50 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 1g9l s GLU 51 N -2.34 4.25 0.66 2.61 -1.05 -1.26 -5.05 118.70 116.52 1g9l s GLU 51 Ca 0.33 1.02 -0.11 0.00 -0.15 0.00 0.00 54.97 56.06 1g9l s GLU 51 Cb 0.05 -3.61 0.16 0.00 -0.44 0.00 0.00 34.13 30.30 1g9l s GLU 51 CO 0.01 -0.43 0.65 -0.35 0.95 0.00 0.00 175.26 176.09 1g9l n PRO 52 N 5.64 -1.87 -2.85 -4.83 -0.04 -1.26 -5.02 135.00 124.77 1g9l n PRO 52 Ca 0.06 -1.03 -0.34 0.00 -0.04 0.00 0.00 63.50 62.14 1g9l n PRO 52 Cb 0.48 -0.89 -0.07 0.00 -0.04 0.00 0.00 33.50 32.98 1g9l n PRO 52 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1g9l s LEU 53 N 0.00 4.08 0.00 1.53 2.96 -1.26 -4.93 118.68 121.06 1g9l s LEU 53 Ca 0.41 1.68 -0.09 0.00 -0.22 0.00 0.00 54.13 55.91 1g9l s LEU 53 Cb -0.03 -4.31 0.03 0.00 0.50 0.00 0.00 46.19 42.38 1g9l s LEU 53 CO 0.31 -0.25 0.47 0.41 -1.32 0.00 0.00 176.35 175.97 1g9l n THR 54 N -0.22 0.00 -0.22 3.68 -1.04 -1.26 -4.84 114.28 110.38 1g9l n THR 54 Ca 0.05 -0.37 0.28 0.00 -2.04 0.00 0.00 64.05 61.97 1g9l n THR 54 Cb 0.53 0.43 0.69 0.00 -1.82 0.00 0.00 70.33 70.16 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 2.76 -0.16 2.41 0.00 -1.59 0.13 119.26 124.82 1g9l h ALA 55 Ca -0.15 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1g9l h ALA 55 Cb 0.61 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1g9l h ALA 55 CO 0.20 -1.05 -0.06 1.03 0.00 0.00 0.00 179.25 179.37 1g9l h SER 56 N 0.08 0.33 -0.85 0.00 0.87 -1.87 -0.56 113.55 111.54 1g9l h SER 56 Ca 0.47 -0.39 0.05 0.00 -1.23 0.00 0.00 61.79 60.68 1g9l h SER 56 Cb 1.72 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 63.54 1g9l h SER 56 CO -0.05 0.65 0.56 0.24 -0.53 0.00 0.00 176.83 177.70 1g9l h MET 57 N 0.01 0.98 -0.46 2.24 2.07 -1.15 -0.93 114.93 117.68 1g9l h MET 57 Ca 0.04 -0.06 -0.05 0.00 -2.07 0.00 0.00 59.70 57.56 1g9l h MET 57 Cb 0.52 -0.22 -0.02 0.00 -1.87 0.00 0.00 31.60 30.01 1g9l h MET 57 CO 0.02 0.65 0.10 -0.07 1.07 0.00 0.00 176.91 178.68 1g9l h LEU 58 N 1.01 0.71 0.00 1.22 -0.00 -1.09 -1.87 115.31 115.28 1g9l h LEU 58 Ca 0.35 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1g9l h LEU 58 Cb 0.12 -0.19 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 1g9l h LEU 58 CO -0.12 0.76 0.00 0.00 -0.00 0.00 0.00 178.44 179.08 1g9l n ALA 59 N -2.37 2.06 1.10 1.53 0.00 -0.24 -2.04 120.51 120.55 1g9l n ALA 59 Ca 0.01 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1g9l n ALA 59 Cb 0.22 -1.28 0.44 0.00 0.00 0.00 0.00 19.45 18.84 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 -1.10 0.39 -2.76 0.00 7.64 -0.64 -4.09 113.62 113.05 1g9l n SER 60 Ca 0.11 -0.15 -0.17 0.00 1.01 0.00 0.00 58.87 59.67 1g9l n SER 60 Cb 0.09 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 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 -1.32 3.61 -0.18 -0.43 0.00 -0.87 -4.97 120.51 116.35 1g9l n ALA 61 Ca 0.08 -3.60 -0.02 0.00 0.00 0.00 0.00 53.44 49.90 1g9l n ALA 61 Cb 0.32 -0.83 0.05 0.00 0.00 0.00 0.00 19.45 19.00 1g9l n ALA 61 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1g9l h PRO 62 N 2.91 0.02 -0.29 0.00 0.13 -1.72 0.26 132.00 133.31 1g9l h PRO 62 Ca 0.05 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1g9l h PRO 62 Cb 1.01 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1g9l h PRO 62 CO 0.61 0.01 0.00 -0.35 -0.23 0.00 0.00 178.00 178.04 1g9l n PRO 63 N -5.36 2.27 0.00 1.56 -0.04 -1.26 -4.39 135.00 127.78 1g9l n PRO 63 Ca 0.06 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 1g9l n PRO 63 Cb 0.29 -1.48 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 1g9l n PRO 63 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1g9l n GLN 64 N 1.14 0.00 -1.86 0.54 3.00 -0.63 -4.94 117.38 114.64 1g9l n GLN 64 Ca 0.18 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.84 1g9l n GLN 64 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.81 1g9l n GLN 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1g9l n GLU 65 N 0.00 3.00 0.15 -1.09 1.02 -1.03 -4.69 120.64 118.00 1g9l n GLU 65 Ca 0.00 -3.74 0.05 0.00 -0.02 0.00 0.00 57.16 53.45 1g9l n GLU 65 Cb 0.00 -2.27 0.49 0.00 -0.02 0.00 0.00 31.44 29.63 1g9l n GLU 65 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 1g9l h GLN 66 N 2.47 0.20 -0.53 3.49 4.15 -0.73 -2.77 115.11 121.39 1g9l h GLN 66 Ca 0.50 -0.03 -0.39 0.00 0.77 0.00 0.00 58.65 59.51 1g9l h GLN 66 Cb 0.69 -0.04 -0.34 0.00 0.21 0.00 0.00 27.48 28.01 1g9l h GLN 66 CO 1.27 0.23 -0.80 0.36 -1.93 0.00 0.00 178.83 177.96 1g9l n LYS 67 N -4.40 2.84 0.00 1.69 0.00 -1.26 -4.77 118.16 112.26 1g9l n LYS 67 Ca -0.01 -3.83 0.00 0.00 -0.00 0.00 0.00 58.31 54.47 1g9l n LYS 67 Cb 0.17 -1.98 0.00 0.00 -0.00 0.00 0.00 35.03 33.22 1g9l n LYS 67 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1g9l n GLN 68 N -0.73 0.00 0.00 -1.58 7.27 -1.05 -4.76 117.38 116.52 1g9l n GLN 68 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.40 1g9l n GLN 68 Cb 0.90 -0.30 0.00 0.00 2.41 0.00 0.00 30.24 33.25 1g9l n GLN 68 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 1g9l n MET 69 N -2.81 0.72 0.08 3.69 0.00 -1.17 -2.60 117.12 115.03 1g9l n MET 69 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.70 57.66 1g9l n MET 69 Cb 0.29 -1.01 -0.02 0.00 0.00 0.00 0.00 33.22 32.48 1g9l n MET 69 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 1g9l h LEU 70 N 0.00 -0.24 -3.08 4.03 3.38 -1.86 -3.21 115.31 114.34 1g9l h LEU 70 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1g9l h LEU 70 Cb 0.01 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1g9l h LEU 70 CO 0.00 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1g9l n GLY 71 N 0.92 3.87 0.00 0.83 0.00 -1.24 -4.22 105.19 105.35 1g9l n GLY 71 Ca -0.04 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.56 2.90 0.00 1.61 -0.00 -1.07 -3.53 120.64 119.99 1g9l n GLU 72 Ca 0.15 -0.05 0.00 0.00 -0.00 0.00 0.00 57.16 57.26 1g9l n GLU 72 Cb 0.64 -0.35 0.00 0.00 -0.00 0.00 0.00 31.44 31.73 1g9l n GLU 72 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 1g9l n ARG 73 N -0.43 2.55 0.02 3.44 0.63 -1.24 -4.66 116.66 116.97 1g9l n ARG 73 Ca 0.00 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.05 1g9l n ARG 73 Cb 0.02 -0.73 0.51 0.00 0.45 0.00 0.00 32.46 32.71 1g9l n ARG 73 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1g9l n LEU 74 N -0.97 0.16 -0.10 6.15 4.77 -1.21 -3.97 117.00 121.83 1g9l n LEU 74 Ca 0.00 0.52 -0.08 0.00 -0.03 0.00 0.00 56.01 56.43 1g9l n LEU 74 Cb 0.00 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.60 1g9l n LEU 74 CO 0.00 -0.12 0.66 0.15 -1.33 0.00 0.00 177.39 176.75 1g9l h PHE 75 N 0.00 -0.82 0.00 -1.77 3.57 -1.88 0.32 116.94 116.36 1g9l h PHE 75 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1g9l h PHE 75 Cb 0.47 0.41 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1g9l h PHE 75 CO 0.00 -0.37 0.00 -0.35 -2.23 0.00 0.00 178.31 175.36 1g9l n PRO 76 N -5.41 0.14 0.02 6.41 -0.04 -1.25 -2.72 135.00 132.14 1g9l n PRO 76 Ca 0.01 0.44 -0.22 0.00 -0.04 0.00 0.00 63.50 63.69 1g9l n PRO 76 Cb 0.33 -1.80 -0.14 0.00 -0.04 0.00 0.00 33.50 31.84 1g9l n PRO 76 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1g9l h LEU 77 N 0.00 0.43 -0.90 1.53 -0.00 -0.71 -3.36 115.31 112.29 1g9l h LEU 77 Ca 0.00 -0.88 -0.01 0.00 -0.00 0.00 0.00 57.88 57.00 1g9l h LEU 77 Cb 0.25 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 40.72 1g9l h LEU 77 CO 0.00 1.68 0.54 0.40 -0.00 0.00 0.00 178.44 181.06 1g9l h ILE 78 N -0.19 1.25 -0.05 1.22 1.08 -0.61 -1.96 117.51 118.25 1g9l h ILE 78 Ca -0.33 -0.55 0.02 0.00 -0.39 0.00 0.00 64.86 63.61 1g9l h ILE 78 Cb 1.86 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1g9l h ILE 78 CO 0.08 0.26 0.62 1.56 -0.69 0.00 0.00 178.15 179.99 1g9l h GLN 79 N 1.24 0.00 0.16 2.37 4.20 -1.68 0.63 115.11 122.03 1g9l h GLN 79 Ca 0.32 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.74 1g9l h GLN 79 Cb -0.04 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.75 1g9l h GLN 79 CO -0.06 0.00 -1.42 0.00 -0.67 0.00 0.00 178.83 176.68 1g9l h ALA 80 N 0.81 0.09 -0.45 3.87 0.00 -1.55 -3.25 119.26 118.77 1g9l h ALA 80 Ca 0.03 -1.01 -0.14 0.00 0.00 0.00 0.00 54.91 53.78 1g9l h ALA 80 Cb 1.27 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.43 1g9l h ALA 80 CO -0.00 0.79 -0.28 0.52 0.00 0.00 0.00 179.25 180.28 1g9l h MET 81 N -0.15 0.99 -6.09 0.00 2.86 0.09 -3.45 114.93 109.17 1g9l h MET 81 Ca -0.28 -0.46 -0.56 0.00 -2.06 0.00 0.00 59.70 56.34 1g9l h MET 81 Cb 1.88 -0.01 -0.17 0.00 0.06 0.00 0.00 31.60 33.36 1g9l h MET 81 CO 0.13 1.13 -0.79 -1.01 1.06 0.00 0.00 176.91 177.44 1g9l s HIS 82 N -4.57 1.97 -0.88 -0.22 3.76 0.28 -5.04 115.29 110.59 1g9l s HIS 82 Ca -0.11 -0.44 -0.26 0.00 -0.15 0.00 0.00 55.06 54.10 1g9l s HIS 82 Cb 0.12 -0.96 -0.22 0.00 1.11 0.00 0.00 32.58 32.62 1g9l s HIS 82 CO 0.88 0.41 1.96 -2.30 -0.85 0.00 0.00 174.74 174.83 1g9l n PRO 83 N 0.14 0.55 -2.51 8.40 -0.02 -1.26 -3.96 135.00 136.35 1g9l n PRO 83 Ca -0.12 -1.77 -0.02 0.00 -2.02 0.00 0.00 63.50 59.58 1g9l n PRO 83 Cb 0.57 -3.54 -0.00 0.00 -0.02 0.00 0.00 33.50 30.52 1g9l n PRO 83 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1g9l n THR 84 N 8.14 -0.07 1.42 3.45 5.66 -1.23 -4.73 114.28 126.93 1g9l n THR 84 Ca 0.44 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.49 1g9l n THR 84 Cb 0.45 -0.21 0.19 0.00 -1.55 0.00 0.00 70.33 69.22 1g9l n THR 84 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 1g9l n LEU 85 N -2.54 1.04 -0.13 1.09 4.77 -1.25 -4.10 117.00 115.87 1g9l n LEU 85 Ca -0.02 -0.50 0.00 0.00 -0.03 0.00 0.00 56.01 55.47 1g9l n LEU 85 Cb 0.51 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1g9l n LEU 85 CO 0.03 0.25 0.21 0.00 -1.33 0.00 0.00 177.39 176.54 1g9l n ALA 86 N 0.02 1.91 0.24 -1.18 0.00 -1.26 -3.88 120.51 116.36 1g9l n ALA 86 Ca 0.09 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.70 1g9l n ALA 86 Cb 0.18 -1.00 0.78 0.00 0.00 0.00 0.00 19.45 19.41 1g9l n ALA 86 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1g9l h GLY 87 N 2.88 0.00 -1.57 0.00 0.00 -1.95 -3.17 103.07 99.25 1g9l h GLY 87 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 1g9l h GLY 87 CO 0.00 0.00 -0.17 1.17 0.00 0.00 0.00 176.54 177.54 1g9l n LYS 88 N -3.20 0.00 0.00 4.80 3.00 -1.25 -4.98 118.16 116.53 1g9l n LYS 88 Ca 0.02 -0.59 0.00 0.00 -0.00 0.00 0.00 58.31 57.73 1g9l n LYS 88 Cb 0.48 0.32 0.00 0.00 0.00 0.00 0.00 35.03 35.83 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 -1.20 -3.31 119.36 123.07 1g9l n ILE 89 Ca -0.17 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.71 1g9l n ILE 89 Cb 0.60 -0.02 0.33 0.00 -0.71 0.00 0.00 39.64 39.83 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 0.74 -0.39 1.39 2.02 -1.91 0.76 112.91 115.52 1g9l h THR 90 Ca 0.00 -0.26 0.08 0.00 0.77 0.00 0.00 66.41 67.00 1g9l h THR 90 Cb 0.00 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.30 1g9l h THR 90 CO 0.00 0.14 0.27 1.23 0.37 0.00 0.00 175.52 177.53 1g9l h GLY 91 N 0.76 0.21 1.65 2.16 0.00 -1.78 0.17 103.07 106.24 1g9l h GLY 91 Ca 0.55 -0.07 -0.20 0.00 0.00 0.00 0.00 47.33 47.62 1g9l h GLY 91 CO -0.33 0.05 -0.83 1.98 0.00 0.00 0.00 176.54 177.40 1g9l h MET 92 N 0.16 0.32 0.00 4.80 -1.53 0.49 -3.18 114.93 115.99 1g9l h MET 92 Ca 0.18 -0.31 0.00 0.00 -3.44 0.00 0.00 59.70 56.13 1g9l h MET 92 Cb 0.49 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 31.62 1g9l h MET 92 CO -0.03 0.99 0.03 1.28 0.14 0.00 0.00 176.91 179.32 1g9l n LEU 93 N -3.75 0.00 -1.24 3.39 7.99 0.58 0.84 117.00 124.80 1g9l n LEU 93 Ca -0.05 0.33 -0.05 0.00 -0.01 0.00 0.00 56.01 56.23 1g9l n LEU 93 Cb 0.77 -0.33 0.20 0.00 -0.11 0.00 0.00 43.42 43.95 1g9l n LEU 93 CO 0.49 -0.33 0.74 0.18 -1.51 0.00 0.00 177.39 176.96 1g9l n LEU 94 N -1.32 4.35 0.00 2.23 4.32 -1.20 -3.58 117.00 121.80 1g9l n LEU 94 Ca 0.00 -3.71 0.00 0.00 -0.02 0.00 0.00 56.01 52.28 1g9l n LEU 94 Cb 0.03 -0.65 0.00 0.00 -1.62 0.00 0.00 43.42 41.18 1g9l n LEU 94 CO 0.00 1.20 0.00 -1.84 -1.22 0.00 0.00 177.39 175.53 1g9l n GLU 95 N -1.08 0.00 0.00 3.23 0.28 0.25 -5.08 120.64 118.23 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 1.08 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.95 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 0.21 -4.63 119.36 118.78 1g9l n ILE 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1g9l n ILE 96 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 39.79 1g9l n ILE 96 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1g9l n ASP 97 N 0.00 0.00 0.00 7.28 2.03 -1.26 -4.76 116.55 119.83 1g9l n ASP 97 Ca 0.00 0.28 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1g9l n ASP 97 Cb 0.00 -0.28 0.00 0.00 -0.72 0.00 0.00 41.12 40.12 1g9l n ASP 97 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1g9l n ASN 98 N -1.26 0.00 0.19 1.67 0.23 -1.26 -4.66 115.26 110.17 1g9l n ASN 98 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 54.08 1g9l n ASN 98 Cb 0.04 0.00 0.37 0.00 -2.08 0.00 0.00 39.78 38.10 1g9l n ASN 98 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1g9l h SER 99 N 0.00 0.00 0.30 0.53 0.02 -1.96 -1.91 113.55 110.52 1g9l h SER 99 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1g9l h SER 99 Cb 0.00 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1g9l h SER 99 CO 0.00 0.36 -0.85 -0.33 -1.14 0.00 0.00 176.83 174.88 1g9l h GLU 100 N 0.00 0.41 -0.00 3.45 3.07 -1.91 -0.95 114.58 118.66 1g9l h GLU 100 Ca -0.00 -0.40 -0.06 0.00 -0.50 0.00 0.00 59.36 58.40 1g9l h GLU 100 Cb 0.66 0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.66 1g9l h GLU 100 CO 0.05 1.05 -0.26 1.37 -1.40 0.00 0.00 179.01 179.82 1g9l h LEU 101 N 0.26 0.00 0.06 1.33 8.10 -1.48 -0.11 115.31 123.47 1g9l h LEU 101 Ca -0.06 -0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.82 1g9l h LEU 101 Cb 1.46 -0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.68 1g9l h LEU 101 CO 0.15 0.27 -0.55 -0.07 -4.11 0.00 0.00 178.44 174.13 1g9l h LEU 102 N 0.00 0.18 -0.44 0.17 4.07 -1.24 -3.31 115.31 114.74 1g9l h LEU 102 Ca -0.00 -0.91 -0.05 0.00 0.08 0.00 0.00 57.88 56.99 1g9l h LEU 102 Cb 0.47 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 1g9l h LEU 102 CO 0.03 1.24 0.09 -0.74 -1.08 0.00 0.00 178.44 177.98 1g9l h HIS 103 N -0.73 0.77 -0.66 1.13 2.76 -1.09 -2.54 115.15 114.79 1g9l h HIS 103 Ca -0.12 -0.10 0.11 0.00 -2.20 0.00 0.00 60.37 58.06 1g9l h HIS 103 Cb 1.31 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 30.02 1g9l h HIS 103 CO 0.22 0.72 0.44 0.00 -1.30 0.00 0.00 177.93 178.01 1g9l h MET 104 N 0.59 0.44 0.00 5.26 -0.00 -1.18 0.21 114.93 120.25 1g9l h MET 104 Ca 0.14 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.81 1g9l h MET 104 Cb 0.36 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.86 1g9l h MET 104 CO 0.01 0.29 -0.36 1.28 -0.00 0.00 0.00 176.91 178.13 1g9l n LEU 105 N -4.48 0.43 -0.21 -0.10 4.77 -1.10 -2.94 117.00 113.38 1g9l n LEU 105 Ca 0.11 0.22 0.07 0.00 -0.03 0.00 0.00 56.01 56.38 1g9l n LEU 105 Cb 0.40 -0.31 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 1g9l n LEU 105 CO 0.34 0.03 0.15 -1.84 -1.33 0.00 0.00 177.39 174.74 1g9l n GLU 106 N -1.69 2.04 -3.82 3.23 -0.00 0.44 -4.70 120.64 116.14 1g9l n GLU 106 Ca 0.05 -0.49 -0.12 0.00 -0.00 0.00 0.00 57.16 56.60 1g9l n GLU 106 Cb 0.37 -1.19 -0.13 0.00 -0.00 0.00 0.00 31.44 30.48 1g9l n GLU 106 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1g9l s SER 107 N -1.93 -0.12 0.00 -1.84 0.15 0.37 -5.01 113.70 105.32 1g9l s SER 107 Ca 0.10 0.25 0.18 0.00 0.70 0.00 0.00 55.95 57.18 1g9l s SER 107 Cb 0.11 0.24 1.08 0.00 -1.71 0.00 0.00 66.02 65.75 1g9l s SER 107 CO 0.43 -0.05 1.56 -0.81 1.20 0.00 0.00 173.24 175.57 1g9l n PRO 108 N 3.12 0.79 0.00 5.44 -0.04 -1.26 -2.58 135.00 140.47 1g9l n PRO 108 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 1g9l n PRO 108 Cb 0.58 -1.36 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 -0.86 4.06 0.00 0.54 1.02 -1.26 -4.67 120.64 119.48 1g9l n GLU 109 Ca 0.14 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 57.10 1g9l n GLU 109 Cb 0.06 -0.51 -0.13 0.00 -0.02 0.00 0.00 31.44 30.84 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 0.33 -0.98 1.62 0.02 -1.74 0.57 113.55 113.37 1g9l h SER 110 Ca 0.00 -0.91 0.26 0.00 -0.84 0.00 0.00 61.79 60.30 1g9l h SER 110 Cb 0.00 -0.11 -0.13 0.00 0.14 0.00 0.00 62.40 62.30 1g9l h SER 110 CO 0.00 1.21 0.54 0.25 -1.14 0.00 0.00 176.83 177.69 1g9l h LEU 111 N -0.49 0.56 0.03 5.07 7.12 -1.57 0.57 115.31 126.59 1g9l h LEU 111 Ca -0.08 0.15 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1g9l h LEU 111 Cb 1.35 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.56 1g9l h LEU 111 CO 0.10 0.02 -0.01 -0.09 -0.13 0.00 0.00 178.44 178.32 1g9l h ARG 112 N 0.48 -0.04 -0.33 1.25 2.43 -1.82 -2.90 114.38 113.45 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 1.30 0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.77 1g9l h ARG 112 CO -0.52 -0.03 -0.25 1.03 -1.51 0.00 0.00 179.97 178.69 1g9l h SER 113 N -0.87 -0.83 0.01 -3.80 0.87 -0.53 0.12 113.55 108.51 1g9l h SER 113 Ca -0.00 0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1g9l h SER 113 Cb 0.03 0.40 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1g9l h SER 113 CO 0.01 -0.28 -0.01 0.11 -0.53 0.00 0.00 176.83 176.13 1g9l h LYS 114 N -0.22 0.00 0.28 2.24 1.79 -0.03 0.79 116.57 121.42 1g9l h LYS 114 Ca 0.16 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 1g9l h LYS 114 Cb 0.48 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 1g9l h LYS 114 CO -0.45 0.01 -0.14 0.28 -1.08 0.00 0.00 179.45 178.06 1g9l h VAL 115 N 0.00 0.00 -1.04 0.50 2.07 -0.67 0.14 116.25 117.25 1g9l h VAL 115 Ca -0.00 -0.51 0.27 0.00 0.82 0.00 0.00 66.70 67.28 1g9l h VAL 115 Cb 0.01 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.70 1g9l h VAL 115 CO 0.00 0.00 0.69 -0.78 0.02 0.00 0.00 177.57 177.50 1g9l h ASP 116 N -0.89 0.36 -0.11 0.57 1.82 -0.75 0.37 116.42 117.79 1g9l h ASP 116 Ca -0.04 0.06 -0.14 0.00 -0.39 0.00 0.00 57.03 56.52 1g9l h ASP 116 Cb 0.29 0.01 0.01 0.00 0.68 0.00 0.00 39.33 40.31 1g9l h ASP 116 CO 0.06 0.08 -0.49 -0.33 -1.61 0.00 0.00 179.24 176.95 1g9l h GLU 117 N 0.32 0.53 0.00 0.28 5.08 -0.87 -2.89 114.58 117.03 1g9l h GLU 117 Ca 0.57 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1g9l h GLU 117 Cb 1.59 0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.92 1g9l h GLU 117 CO -0.23 1.05 -0.02 0.00 -1.00 0.00 0.00 179.01 178.80 1g9l h ALA 118 N 0.49 1.19 -0.28 3.43 0.00 0.25 -1.01 119.26 123.32 1g9l h ALA 118 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1g9l h ALA 118 Cb 1.13 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1g9l h ALA 118 CO 0.10 0.03 0.04 0.28 0.00 0.00 0.00 179.25 179.70 1g9l h VAL 119 N 0.00 1.24 -0.08 0.00 2.07 -0.51 0.72 116.25 119.69 1g9l h VAL 119 Ca -0.00 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.73 1g9l h VAL 119 Cb 0.12 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.12 1g9l h VAL 119 CO 0.00 0.26 0.07 0.00 0.02 0.00 0.00 177.57 177.93 1g9l h ALA 120 N 0.86 1.83 0.07 1.67 0.00 -1.13 0.35 119.26 122.91 1g9l h ALA 120 Ca 0.08 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.72 1g9l h ALA 120 Cb 0.35 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1g9l h ALA 120 CO 0.01 -0.12 -1.35 0.28 0.00 0.00 0.00 179.25 178.07 1g9l h VAL 121 N 0.00 1.34 -0.26 0.00 2.07 -0.93 -2.91 116.25 115.56 1g9l h VAL 121 Ca 0.04 -3.01 -0.18 0.00 0.82 0.00 0.00 66.70 64.36 1g9l h VAL 121 Cb 0.19 2.77 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1g9l h VAL 121 CO -0.00 0.83 -0.56 0.25 0.02 0.00 0.00 177.57 178.11 1g9l h LEU 122 N 0.04 0.89 -1.33 2.57 5.85 0.24 -0.46 115.31 123.10 1g9l h LEU 122 Ca -0.16 -0.48 -0.07 0.00 0.84 0.00 0.00 57.88 58.01 1g9l h LEU 122 Cb 1.94 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.70 1g9l h LEU 122 CO 0.15 1.26 -0.33 1.56 -0.34 0.00 0.00 178.44 180.75 1g9l h GLN 123 N 0.60 0.00 -0.00 1.25 1.08 -0.49 0.31 115.11 117.86 1g9l h GLN 123 Ca 0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1g9l h GLN 123 Cb 1.16 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.59 1g9l h GLN 123 CO 0.12 0.33 -0.40 0.00 -0.95 0.00 0.00 178.83 177.93 1g9l n ALA 124 N -2.42 3.32 -0.08 3.87 0.00 -1.08 -3.90 120.51 120.22 1g9l n ALA 124 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1g9l n ALA 124 Cb 0.39 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.67 1g9l n ALA 124 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1g9l n HIS 125 N -1.32 0.00 0.00 0.00 8.25 -0.20 -4.43 115.22 117.51 1g9l n HIS 125 Ca 0.07 -0.39 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 1g9l n HIS 125 Cb 0.33 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.41 1g9l n HIS 125 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1g9l n GLN 126 N -0.39 0.00 -1.02 -0.41 1.13 0.10 -4.67 117.38 112.13 1g9l n GLN 126 Ca 0.00 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.85 1g9l n GLN 126 Cb 0.23 0.00 0.11 0.00 0.11 0.00 0.00 30.24 30.70 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 -3.00 5.21 -1.80 -1.58 0.00 -1.26 -4.73 120.51 113.35 1g9l n ALA 127 Ca 0.00 -2.40 0.00 0.00 0.00 0.00 0.00 53.44 51.04 1g9l n ALA 127 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 1g9l n ALA 127 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1g9l n LYS 128 N -0.65 3.38 -0.18 0.00 4.76 -1.26 -4.93 118.16 119.28 1g9l n LYS 128 Ca 0.47 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.94 1g9l n LYS 128 Cb 1.16 0.00 0.10 0.00 -1.84 0.00 0.00 35.03 34.45 1g9l n LYS 128 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 1g9l n GLU 129 N 0.00 1.77 -0.17 1.97 -0.00 -1.26 -4.07 120.64 118.88 1g9l n GLU 129 Ca 0.00 -0.78 -0.03 0.00 -0.00 0.00 0.00 57.16 56.35 1g9l n GLU 129 Cb 0.00 -1.45 0.18 0.00 -0.00 0.00 0.00 31.44 30.17 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 2.91 1.23 -2.38 -1.84 0.00 -1.85 -3.42 119.26 113.91 1g9l h ALA 130 Ca 0.00 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 54.19 1g9l h ALA 130 Cb 0.61 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1g9l h ALA 130 CO 0.07 0.55 0.65 0.00 0.00 0.00 0.00 179.25 180.52 1g9l s ALA 131 N -5.38 3.45 -0.84 0.00 0.00 -1.26 -4.96 121.76 112.78 1g9l s ALA 131 Ca -0.10 0.72 -0.25 0.00 0.00 0.00 0.00 51.96 52.33 1g9l s ALA 131 Cb 0.16 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1g9l s ALA 131 CO 0.80 -0.63 1.52 -0.65 0.00 0.00 0.00 175.76 176.80 1g9l s GLN 132 N 1.76 3.15 0.13 0.00 -0.21 -1.26 -4.79 119.66 118.44 1g9l s GLN 132 Ca 0.57 -0.42 0.26 0.00 0.02 0.00 0.00 55.36 55.80 1g9l s GLN 132 Cb -0.27 -4.74 0.78 0.00 1.00 0.00 0.00 33.01 29.78 1g9l s GLN 132 CO 0.25 -2.43 1.68 1.63 -2.12 0.00 0.00 175.29 174.30 1g9l n LYS 133 N 9.11 0.19 -1.67 2.91 4.76 -1.26 -4.87 118.16 127.33 1g9l n LYS 133 Ca 0.21 0.12 -0.32 0.00 -2.87 0.00 0.00 58.31 55.46 1g9l n LYS 133 Cb 0.50 -1.69 0.05 0.00 -1.84 0.00 0.00 35.03 32.05 1g9l n LYS 133 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1g9l s ALA 134 N -3.08 2.54 1.00 7.82 0.00 -1.26 -5.06 121.76 123.72 1g9l s ALA 134 Ca 0.10 0.33 -0.00 0.00 0.00 0.00 0.00 51.96 52.39 1g9l s ALA 134 Cb 0.14 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 20.02 1g9l s ALA 134 CO 0.62 -1.25 0.01 1.33 0.00 0.00 0.00 175.76 176.47 1g9l n VAL 135 N -2.75 0.00 -1.97 0.00 0.24 -1.26 -4.88 118.33 107.71 1g9l n VAL 135 Ca 0.09 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.34 62.13 1g9l n VAL 135 Cb 0.53 -1.90 -0.05 0.00 -1.47 0.00 0.00 33.84 30.94 1g9l n VAL 135 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1g9l s ASN 136 N -1.10 4.94 -0.73 -1.34 2.47 -1.26 -4.89 114.94 113.03 1g9l s ASN 136 Ca 0.01 -0.51 -0.11 0.00 0.42 0.00 0.00 52.86 52.67 1g9l s ASN 136 Cb -0.00 -2.56 0.19 0.00 -1.45 0.00 0.00 41.25 37.43 1g9l s ASN 136 CO 0.01 -2.92 0.64 -0.44 -3.72 0.00 0.00 177.10 170.67 1g9l s SER 137 N 8.52 6.28 -1.20 -4.21 0.01 -1.26 -5.00 113.70 116.84 1g9l s SER 137 Ca 0.74 -2.61 -0.20 0.00 1.31 0.00 0.00 55.95 55.18 1g9l s SER 137 Cb -0.08 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.06 1g9l s SER 137 CO 0.02 -0.55 1.77 0.00 0.41 0.00 0.00 173.24 174.88 1g9l s ALA 138 N 0.29 2.70 -0.86 1.44 0.00 -1.26 -4.91 121.76 119.16 1g9l s ALA 138 Ca 0.16 -2.52 -0.20 0.00 0.00 0.00 0.00 51.96 49.40 1g9l s ALA 138 Cb -0.15 -4.63 0.11 0.00 0.00 0.00 0.00 23.12 18.44 1g9l s ALA 138 CO -0.06 -3.99 1.10 0.99 0.00 0.00 0.00 175.76 173.79 1g9l s THR 139 N 6.64 4.58 -0.12 0.00 2.01 -1.26 -4.83 115.64 122.66 1g9l s THR 139 Ca 0.58 -1.20 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 1g9l s THR 139 Cb 0.01 -4.77 -0.03 0.00 0.01 0.00 0.00 72.50 67.72 1g9l s THR 139 CO 0.06 -1.51 -0.19 0.61 -0.69 0.00 0.00 174.62 172.90 1g9l n GLY 140 N 5.54 -0.71 0.13 4.40 0.00 -1.26 -4.84 105.19 108.44 1g9l n GLY 140 Ca 0.17 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 1g9l n GLY 140 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1g9l n VAL 141 N -4.02 1.55 -0.06 1.61 0.31 -1.26 -5.01 118.33 111.45 1g9l n VAL 141 Ca -0.08 -0.31 -0.21 0.00 -0.01 0.00 0.00 64.34 63.73 1g9l n VAL 141 Cb 0.29 -1.87 -0.12 0.00 -0.91 0.00 0.00 33.84 31.22 1g9l n VAL 141 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1g9l h PRO 142 N -0.79 0.10 -6.31 5.55 0.13 -1.93 -3.49 132.00 125.26 1g9l h PRO 142 Ca -0.54 -0.17 -0.45 0.00 -0.87 0.00 0.00 66.00 63.96 1g9l h PRO 142 Cb 1.58 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.77 1g9l h PRO 142 CO -0.27 1.08 -0.34 0.95 -0.23 0.00 0.00 178.00 179.19 1g9l s THR 143 N -2.42 3.26 -1.06 1.56 -4.23 -1.26 -5.08 115.64 106.41 1g9l s THR 143 Ca -0.26 -1.14 0.08 0.00 -1.18 0.00 0.00 61.69 59.20 1g9l s THR 143 Cb 0.05 -3.13 0.07 0.00 1.34 0.00 0.00 72.50 70.84 1g9l s THR 143 CO 0.66 -0.07 0.77 0.52 -0.54 0.00 0.00 174.62 175.97