#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbs s ALA 2 N 0.00 3.02 -0.10 2.33 0.00 -1.26 -4.79 121.76 120.96 2gbs s ALA 2 Ca 0.00 -0.47 0.02 0.00 0.00 0.00 0.00 51.96 51.52 2gbs s ALA 2 Cb 0.00 -2.89 -0.01 0.00 0.00 0.00 0.00 23.12 20.22 2gbs s ALA 2 CO 0.00 -1.04 -0.18 0.71 0.00 0.00 0.00 175.76 175.24 2gbs s TYR 3 N -3.25 2.66 0.40 0.00 2.02 -1.25 -1.23 117.35 116.71 2gbs s TYR 3 Ca 0.57 -0.73 0.04 0.00 -0.37 0.00 0.00 57.07 56.57 2gbs s TYR 3 Cb -0.11 -1.74 -0.01 0.00 -0.40 0.00 0.00 41.96 39.70 2gbs s TYR 3 CO 0.50 -0.23 0.13 0.91 -1.57 0.00 0.00 175.55 175.28 2gbs n TRP 4 N 3.31 0.20 -3.71 2.71 7.02 0.11 -0.25 117.44 126.82 2gbs n TRP 4 Ca -0.18 -2.52 -0.13 0.00 -1.02 0.00 0.00 57.50 53.64 2gbs n TRP 4 Cb 0.53 -0.03 -0.13 0.00 -2.42 0.00 0.00 31.31 29.25 2gbs n TRP 4 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 2gbs s LEU 5 N 0.00 0.28 0.11 -0.99 0.20 0.13 -0.29 118.68 118.12 2gbs s LEU 5 Ca 0.19 0.49 0.10 0.00 0.69 0.00 0.00 54.13 55.59 2gbs s LEU 5 Cb 0.01 0.64 -0.04 0.00 -0.43 0.00 0.00 46.19 46.37 2gbs s LEU 5 CO 0.13 -0.18 -0.22 0.68 -0.29 0.00 0.00 176.35 176.46 2gbs s VAL 6 N 1.56 2.54 -0.19 1.68 -7.23 -0.39 -2.19 120.40 116.18 2gbs s VAL 6 Ca -0.06 -1.58 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 2gbs s VAL 6 Cb -0.11 -2.13 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 2gbs s VAL 6 CO -0.08 0.13 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.29 2gbs s LYS 7 N -2.00 3.61 -0.08 4.82 1.02 -1.25 -2.11 119.74 123.75 2gbs s LYS 7 Ca 0.16 -0.53 0.04 0.00 0.02 0.00 0.00 55.97 55.65 2gbs s LYS 7 Cb -0.10 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 2gbs s LYS 7 CO 0.07 0.04 -0.20 0.45 -0.92 0.00 0.00 175.35 174.80 2gbs s SER 8 N 0.91 2.59 -0.32 2.83 0.15 0.54 -4.91 113.70 115.49 2gbs s SER 8 Ca 0.01 -0.45 -0.22 0.00 0.70 0.00 0.00 55.95 55.98 2gbs s SER 8 Cb -0.14 -1.08 -0.00 0.00 -1.71 0.00 0.00 66.02 63.09 2gbs s SER 8 CO 0.02 0.13 0.72 -1.61 1.20 0.00 0.00 173.24 173.70 2gbs s GLU 9 N 0.34 3.86 0.65 5.44 2.02 -1.26 -1.42 118.70 128.33 2gbs s GLU 9 Ca -0.14 0.37 0.43 0.00 0.02 0.00 0.00 54.97 55.65 2gbs s GLU 9 Cb -0.16 -3.76 2.25 0.00 0.10 0.00 0.00 34.13 32.56 2gbs s GLU 9 CO 0.06 -0.69 2.31 -1.35 0.02 0.00 0.00 175.26 175.61 2gbs h PRO 10 N 8.26 0.00 0.00 0.39 0.11 -1.73 0.37 132.00 139.40 2gbs h PRO 10 Ca -0.25 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 2gbs h PRO 10 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2gbs h PRO 10 CO 0.86 0.00 -0.08 0.77 -0.21 0.00 0.00 178.00 179.33 2gbs h SER 11 N 0.00 0.00 0.00 -2.05 0.02 -1.91 -3.31 113.55 106.30 2gbs h SER 11 Ca 0.00 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.90 2gbs h SER 11 Cb 0.09 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 2gbs h SER 11 CO 0.00 0.08 -1.17 0.52 -1.14 0.00 0.00 176.83 175.12 2gbs n VAL 12 N -3.78 0.17 -3.86 2.27 0.31 0.07 -5.02 118.33 108.48 2gbs n VAL 12 Ca -0.02 -0.06 -0.26 0.00 -0.01 0.00 0.00 64.34 63.98 2gbs n VAL 12 Cb 0.18 -0.81 -0.17 0.00 -0.91 0.00 0.00 33.84 32.14 2gbs n VAL 12 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 2gbs s TRP 13 N -2.06 1.31 0.50 3.52 -0.11 0.11 -5.07 118.94 117.13 2gbs s TRP 13 Ca -0.04 -0.67 0.07 0.00 1.22 0.00 0.00 56.10 56.68 2gbs s TRP 13 Cb 0.01 -1.14 0.02 0.00 -1.50 0.00 0.00 33.47 30.87 2gbs s TRP 13 CO 0.07 -0.49 0.46 -1.54 -4.62 0.00 0.00 176.95 170.82 2gbs s SER 14 N 1.77 4.88 -0.01 5.86 1.04 -1.26 -3.26 113.70 122.72 2gbs s SER 14 Ca 0.04 -0.98 -0.25 0.00 0.48 0.00 0.00 55.95 55.24 2gbs s SER 14 Cb -0.13 -0.01 -0.19 0.00 0.10 0.00 0.00 66.02 65.79 2gbs s SER 14 CO -0.07 -0.96 1.31 -0.25 0.98 0.00 0.00 173.24 174.25 2gbs h TRP 15 N 0.78 0.07 -0.21 5.02 2.91 -1.99 -2.74 115.95 119.78 2gbs h TRP 15 Ca -0.38 -0.02 -0.02 0.00 1.13 0.00 0.00 58.89 59.61 2gbs h TRP 15 Cb 1.28 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.91 2gbs h TRP 15 CO 0.70 0.50 0.06 0.22 -1.03 0.00 0.00 178.44 178.88 2gbs h ASP 16 N -0.38 0.26 -0.73 2.65 3.58 -1.98 0.06 116.42 119.87 2gbs h ASP 16 Ca 0.00 -0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.48 2gbs h ASP 16 Cb 0.48 -0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.41 2gbs h ASP 16 CO 0.00 0.27 0.44 -0.61 -2.88 0.00 0.00 179.24 176.46 2gbs h GLN 17 N 0.30 0.79 -0.28 0.28 5.75 -1.94 -1.77 115.11 118.24 2gbs h GLN 17 Ca 0.07 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.42 2gbs h GLN 17 Cb 0.10 -0.18 -0.00 0.00 1.07 0.00 0.00 27.48 28.47 2gbs h GLN 17 CO -0.00 0.52 -0.26 0.37 -2.65 0.00 0.00 178.83 176.81 2gbs h GLN 18 N 0.82 0.67 -0.66 1.69 -0.00 -0.75 -3.08 115.11 113.79 2gbs h GLN 18 Ca 0.32 -0.35 0.11 0.00 -0.00 0.00 0.00 58.65 58.73 2gbs h GLN 18 Cb 0.13 0.01 -0.04 0.00 0.00 0.00 0.00 27.48 27.58 2gbs h GLN 18 CO -0.16 0.95 0.44 0.28 0.00 0.00 0.00 178.83 180.35 2gbs h VAL 19 N 0.41 0.89 -0.82 2.39 2.07 -0.69 0.46 116.25 120.96 2gbs h VAL 19 Ca 0.05 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.46 2gbs h VAL 19 Cb 0.82 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 2gbs h VAL 19 CO 0.07 0.09 0.50 0.00 0.02 0.00 0.00 177.57 178.25 2gbs h ALA 20 N 1.67 1.10 -0.63 1.67 0.00 -1.24 -0.69 119.26 121.15 2gbs h ALA 20 Ca 0.31 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 55.00 2gbs h ALA 20 Cb 0.57 -0.23 -0.12 0.00 0.00 0.00 0.00 17.79 18.00 2gbs h ALA 20 CO -0.10 0.26 0.21 0.36 0.00 0.00 0.00 179.25 179.99 2gbs n LYS 21 N -4.63 3.12 0.07 0.00 2.85 -0.34 -4.66 118.16 114.56 2gbs n LYS 21 Ca 0.11 -3.06 0.07 0.00 -1.05 0.00 0.00 58.31 54.37 2gbs n LYS 21 Cb 0.15 -2.09 0.51 0.00 -0.65 0.00 0.00 35.03 32.95 2gbs n LYS 21 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 2gbs h GLY 22 N 2.06 0.39 1.10 2.58 0.00 0.64 0.61 103.07 110.45 2gbs h GLY 22 Ca 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2gbs h GLY 22 CO 0.64 0.13 -0.84 0.00 0.00 0.00 0.00 176.54 176.46 2gbs h ALA 23 N 1.81 0.55 0.04 3.60 0.00 -1.83 -3.38 119.26 120.05 2gbs h ALA 23 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.68 2gbs h ALA 23 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2gbs h ALA 23 CO -0.03 0.00 -1.99 0.00 0.00 0.00 0.00 179.25 177.23 2gbs n ALA 24 N -2.09 1.03 0.00 0.00 0.00 -0.48 -5.11 120.51 113.85 2gbs n ALA 24 Ca 0.01 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2gbs n ALA 24 Cb 0.52 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.61 2gbs n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gbs n GLY 25 N 1.72 0.05 3.06 0.00 0.00 0.20 -5.02 105.19 105.21 2gbs n GLY 25 Ca -0.39 -1.80 -0.09 0.00 0.00 0.00 0.00 46.02 43.73 2gbs n GLY 25 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gbs s GLU 26 N -2.04 0.53 -0.32 1.61 -1.05 -0.24 -4.94 118.70 112.25 2gbs s GLU 26 Ca 0.00 -0.94 -0.16 0.00 -0.15 0.00 0.00 54.97 53.72 2gbs s GLU 26 Cb 0.00 0.01 -0.02 0.00 -0.44 0.00 0.00 34.13 33.69 2gbs s GLU 26 CO 0.00 -0.04 0.40 0.00 0.95 0.00 0.00 175.26 176.57 2gbs s ALA 27 N -2.55 3.52 -1.20 -0.84 0.00 -1.26 -0.67 121.76 118.75 2gbs s ALA 27 Ca -0.03 -1.02 -0.20 0.00 0.00 0.00 0.00 51.96 50.71 2gbs s ALA 27 Cb -0.02 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.30 2gbs s ALA 27 CO -0.04 -0.96 1.73 -0.46 0.00 0.00 0.00 175.76 176.04 2gbs s TRP 28 N 2.13 2.52 0.32 0.00 -0.00 -0.02 -4.95 118.94 118.93 2gbs s TRP 28 Ca 0.15 -0.94 0.03 0.00 -0.00 0.00 0.00 56.10 55.33 2gbs s TRP 28 Cb -0.16 -4.56 -0.03 0.00 -0.00 0.00 0.00 33.47 28.72 2gbs s TRP 28 CO 0.11 -1.71 0.49 0.95 -0.00 0.00 0.00 176.95 176.79 2gbs s THR 29 N 6.03 4.96 0.00 5.86 -4.23 -1.26 -4.10 115.64 122.89 2gbs s THR 29 Ca 0.56 -0.70 0.00 0.00 -1.18 0.00 0.00 61.69 60.37 2gbs s THR 29 Cb 0.02 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.07 2gbs s THR 29 CO 0.05 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 2gbs n GLY 30 N -1.67 0.76 3.52 3.99 0.00 -1.26 -5.02 105.19 105.51 2gbs n GLY 30 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 2gbs n GLY 30 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2gbs s VAL 31 N -2.14 4.19 -0.21 1.61 -7.23 -1.26 -4.76 120.40 110.59 2gbs s VAL 31 Ca 0.00 -0.88 0.15 0.00 -1.81 0.00 0.00 61.98 59.45 2gbs s VAL 31 Cb 0.00 -4.93 0.65 0.00 0.56 0.00 0.00 36.38 32.66 2gbs s VAL 31 CO 0.00 -1.76 1.57 0.54 -0.31 0.00 0.00 175.10 175.14 2gbs n ARG 32 N 8.11 3.66 -3.27 4.82 1.74 -1.26 -4.52 116.66 125.93 2gbs n ARG 32 Ca 0.24 -2.99 -0.39 0.00 -0.77 0.00 0.00 57.85 53.95 2gbs n ARG 32 Cb 0.50 -2.02 -0.06 0.00 -1.02 0.00 0.00 32.46 29.86 2gbs n ARG 32 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2gbs s ASN 33 N -1.49 6.91 0.03 0.55 3.84 -1.26 -5.00 114.94 118.51 2gbs s ASN 33 Ca 0.48 1.08 -0.26 0.00 0.21 0.00 0.00 52.86 54.37 2gbs s ASN 33 Cb 0.38 -2.34 -0.17 0.00 -0.55 0.00 0.00 41.25 38.57 2gbs s ASN 33 CO 0.11 0.12 1.42 0.45 -2.79 0.00 0.00 177.10 176.42 2gbs h HIS 34 N 5.64 -0.33 -0.60 0.43 3.86 -1.98 0.47 115.15 122.64 2gbs h HIS 34 Ca -0.46 -0.01 -0.04 0.00 -1.16 0.00 0.00 60.37 58.71 2gbs h HIS 34 Cb 1.20 0.11 -0.03 0.00 1.06 0.00 0.00 27.41 29.75 2gbs h HIS 34 CO 0.66 -0.06 0.21 0.77 0.86 0.00 0.00 177.93 180.37 2gbs h SER 35 N -0.58 0.84 0.09 2.45 0.02 -1.98 0.79 113.55 115.18 2gbs h SER 35 Ca -0.04 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2gbs h SER 35 Cb 0.42 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2gbs h SER 35 CO 0.06 0.81 -0.04 0.00 -1.14 0.00 0.00 176.83 176.51 2gbs h ALA 36 N 1.07 -0.12 -0.66 3.77 0.00 -1.81 -2.41 119.26 119.11 2gbs h ALA 36 Ca 0.20 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2gbs h ALA 36 Cb 0.24 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2gbs h ALA 36 CO -0.01 -0.54 0.29 -0.22 0.00 0.00 0.00 179.25 178.77 2gbs h LYS 37 N -0.16 0.94 -0.99 0.00 3.64 -0.71 -1.31 116.57 117.98 2gbs h LYS 37 Ca -0.01 -0.14 0.07 0.00 -1.27 0.00 0.00 60.65 59.30 2gbs h LYS 37 Cb 0.13 -0.17 -0.07 0.00 -0.41 0.00 0.00 32.23 31.71 2gbs h LYS 37 CO 0.02 0.75 0.64 1.25 -2.27 0.00 0.00 179.45 179.84 2gbs h LEU 38 N 0.94 1.02 -0.18 5.20 5.85 -0.56 0.36 115.31 127.94 2gbs h LEU 38 Ca 0.23 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.82 2gbs h LEU 38 Cb 0.13 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 2gbs h LEU 38 CO -0.03 0.64 -0.64 0.45 -0.34 0.00 0.00 178.44 178.52 2gbs h HIS 39 N 1.15 0.00 0.01 1.25 3.86 -0.90 -3.09 115.15 117.42 2gbs h HIS 39 Ca 0.43 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.43 2gbs h HIS 39 Cb 0.20 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.64 2gbs h HIS 39 CO -0.00 0.64 -1.01 0.52 0.86 0.00 0.00 177.93 178.94 2gbs h MET 40 N 0.00 0.02 0.00 2.45 2.86 -0.03 -2.82 114.93 117.41 2gbs h MET 40 Ca -0.01 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.55 2gbs h MET 40 Cb 1.42 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.08 2gbs h MET 40 CO 0.08 1.01 -0.26 0.28 1.06 0.00 0.00 176.91 179.08 2gbs h VAL 41 N 0.01 0.69 -0.00 -2.22 2.07 -0.39 -2.38 116.25 114.02 2gbs h VAL 41 Ca -0.02 -1.15 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2gbs h VAL 41 Cb 1.77 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 2gbs h VAL 41 CO 0.13 0.25 -0.16 0.00 0.02 0.00 0.00 177.57 177.82 2gbs n ALA 42 N -2.27 2.79 -2.24 1.67 0.00 -1.12 -4.83 120.51 114.51 2gbs n ALA 42 Ca -0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 53.44 52.80 2gbs n ALA 42 Cb 0.42 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 2gbs n ALA 42 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2gbs s MET 43 N -2.78 4.46 0.26 0.00 -1.94 -0.90 -5.00 119.30 113.40 2gbs s MET 43 Ca 0.20 1.83 0.08 0.00 -1.71 0.00 0.00 55.69 56.09 2gbs s MET 43 Cb 0.19 -3.29 -0.04 0.00 2.01 0.00 0.00 34.83 33.70 2gbs s MET 43 CO 0.55 -0.18 0.09 1.03 -0.01 0.00 0.00 175.02 176.50 2gbs s ARG 44 N 0.48 2.59 -0.32 2.03 0.52 -1.26 -4.44 118.95 118.55 2gbs s ARG 44 Ca 0.56 -1.25 -0.29 0.00 -0.52 0.00 0.00 55.73 54.23 2gbs s ARG 44 Cb -0.31 -2.35 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 2gbs s ARG 44 CO 0.32 0.38 1.46 0.50 0.02 0.00 0.00 175.30 177.98 2gbs s ARG 45 N -3.76 3.73 0.00 3.54 3.52 -1.26 -1.57 118.95 123.15 2gbs s ARG 45 Ca 0.32 1.28 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 2gbs s ARG 45 Cb -0.07 -3.99 0.00 0.00 -1.56 0.00 0.00 34.95 29.33 2gbs s ARG 45 CO 0.22 -1.36 0.00 0.41 -0.81 0.00 0.00 175.30 173.76 2gbs n GLY 46 N 4.73 0.88 3.81 8.12 0.00 0.70 -4.85 105.19 118.59 2gbs n GLY 46 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2gbs n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gbs s ASP 47 N -1.23 5.44 -0.00 1.61 1.11 -0.61 -4.48 116.67 118.51 2gbs s ASP 47 Ca 0.00 1.66 0.08 0.00 0.18 0.00 0.00 52.55 54.47 2gbs s ASP 47 Cb 0.00 -2.50 -0.02 0.00 1.07 0.00 0.00 42.92 41.46 2gbs s ASP 47 CO 0.00 -1.40 -0.25 -0.13 1.18 0.00 0.00 175.17 174.57 2gbs s ARG 48 N -4.84 1.95 0.11 8.23 0.52 -0.37 -0.61 118.95 123.93 2gbs s ARG 48 Ca 0.59 -0.95 0.04 0.00 -0.52 0.00 0.00 55.73 54.89 2gbs s ARG 48 Cb -0.14 -1.94 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 2gbs s ARG 48 CO 0.51 0.53 -0.10 0.00 0.02 0.00 0.00 175.30 176.26 2gbs s ALA 49 N -0.65 1.18 -0.07 2.13 0.00 0.87 0.04 121.76 125.26 2gbs s ALA 49 Ca 0.10 -1.28 -0.20 0.00 0.00 0.00 0.00 51.96 50.58 2gbs s ALA 49 Cb -0.10 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2gbs s ALA 49 CO -0.00 -0.07 0.56 -0.06 0.00 0.00 0.00 175.76 176.19 2gbs s PHE 50 N -2.77 3.58 -0.67 0.00 0.08 0.61 -0.18 117.98 118.63 2gbs s PHE 50 Ca 0.09 1.06 -0.20 0.00 0.12 0.00 0.00 56.93 57.99 2gbs s PHE 50 Cb -0.01 -2.62 0.10 0.00 -0.57 0.00 0.00 43.02 39.93 2gbs s PHE 50 CO -0.00 0.21 0.85 -0.47 -0.10 0.00 0.00 175.22 175.71 2gbs s TYR 51 N 0.40 2.94 -0.13 0.36 5.04 0.32 -1.26 117.35 125.02 2gbs s TYR 51 Ca 0.30 -0.93 -0.03 0.00 -2.44 0.00 0.00 57.07 53.97 2gbs s TYR 51 Cb -0.17 -4.14 -0.03 0.00 0.35 0.00 0.00 41.96 37.98 2gbs s TYR 51 CO 0.14 -1.43 -0.01 -0.47 -1.34 0.00 0.00 175.55 172.44 2gbs s TYR 52 N 3.04 3.10 -0.28 4.97 5.04 -0.89 -1.94 117.35 130.38 2gbs s TYR 52 Ca 0.18 -0.03 -0.19 0.00 -2.44 0.00 0.00 57.07 54.59 2gbs s TYR 52 Cb -0.19 -1.89 -0.02 0.00 0.35 0.00 0.00 41.96 40.22 2gbs s TYR 52 CO 0.05 0.22 0.57 -1.01 -1.34 0.00 0.00 175.55 174.03 2gbs s HIS 53 N -0.21 3.24 0.50 4.97 3.76 0.19 -0.34 115.29 127.41 2gbs s HIS 53 Ca 0.05 0.61 0.03 0.00 -0.15 0.00 0.00 55.06 55.60 2gbs s HIS 53 Cb -0.13 -2.85 0.02 0.00 1.11 0.00 0.00 32.58 30.74 2gbs s HIS 53 CO 0.02 -0.37 0.70 -1.54 -0.85 0.00 0.00 174.74 172.70 2gbs s SER 54 N 1.58 5.44 0.00 1.40 1.04 -0.51 -1.49 113.70 121.16 2gbs s SER 54 Ca 0.23 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2gbs s SER 54 Cb -0.15 -0.88 0.00 0.00 0.10 0.00 0.00 66.02 65.09 2gbs s SER 54 CO 0.10 -0.99 0.00 0.59 0.98 0.00 0.00 173.24 173.92 2gbs n ASN 55 N -2.17 0.00 -4.83 7.02 3.02 -1.26 -4.25 115.26 112.79 2gbs n ASN 55 Ca 0.07 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.33 2gbs n ASN 55 Cb 0.59 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.71 2gbs n ASN 55 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 2gbs s GLU 56 N 0.00 3.08 0.00 3.52 -1.05 -1.26 -4.55 118.70 118.45 2gbs s GLU 56 Ca 0.00 -0.64 0.00 0.00 -0.15 0.00 0.00 54.97 54.18 2gbs s GLU 56 Cb 0.00 -2.82 0.00 0.00 -0.44 0.00 0.00 34.13 30.87 2gbs s GLU 56 CO 0.00 0.56 0.00 0.41 0.95 0.00 0.00 175.26 177.18 2gbs n GLY 57 N 0.21 2.04 3.84 -3.83 0.00 -1.26 -4.68 105.19 101.50 2gbs n GLY 57 Ca -0.07 -0.29 -0.26 0.00 0.00 0.00 0.00 46.02 45.40 2gbs n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbs n LYS 58 N 0.00 -4.97 -3.89 1.61 5.02 -0.55 -4.75 118.16 110.63 2gbs n LYS 58 Ca 0.00 0.58 -0.10 0.00 -2.02 0.00 0.00 58.31 56.77 2gbs n LYS 58 Cb 0.00 -5.25 -0.09 0.00 -0.02 0.00 0.00 35.03 29.67 2gbs n LYS 58 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2gbs s GLU 59 N -6.35 0.61 -0.24 1.97 -1.05 -1.16 0.68 118.70 113.16 2gbs s GLU 59 Ca 0.31 -0.65 -0.16 0.00 -0.15 0.00 0.00 54.97 54.32 2gbs s GLU 59 Cb -0.16 0.25 -0.04 0.00 -0.44 0.00 0.00 34.13 33.74 2gbs s GLU 59 CO 0.83 -0.16 0.41 0.42 0.95 0.00 0.00 175.26 177.71 2gbs s ILE 60 N -2.40 5.17 -0.26 1.83 1.01 0.49 -0.64 121.20 126.39 2gbs s ILE 60 Ca -0.07 0.69 0.07 0.00 0.00 0.00 0.00 60.65 61.35 2gbs s ILE 60 Cb -0.02 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.62 2gbs s ILE 60 CO -0.03 0.19 0.28 1.33 0.00 0.00 0.00 174.94 176.70 2gbs n VAL 61 N 4.76 0.00 -3.83 2.92 0.24 -0.82 -1.46 118.33 120.14 2gbs n VAL 61 Ca -0.08 -0.29 -0.01 0.00 -2.04 0.00 0.00 64.34 61.92 2gbs n VAL 61 Cb 0.51 0.83 0.01 0.00 -1.47 0.00 0.00 33.84 33.71 2gbs n VAL 61 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2gbs s GLY 62 N -2.00 -0.09 -0.10 7.63 0.00 -1.25 -0.62 107.32 110.88 2gbs s GLY 62 Ca 0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 44.72 44.73 2gbs s GLY 62 CO 0.31 2.05 -0.09 -0.42 0.00 0.00 0.00 173.10 174.95 2gbs s ILE 63 N -2.42 3.51 0.09 0.90 1.09 0.78 -0.52 121.20 124.62 2gbs s ILE 63 Ca 0.20 -0.53 0.06 0.00 -1.10 0.00 0.00 60.65 59.28 2gbs s ILE 63 Cb -0.01 -2.46 -0.04 0.00 -1.06 0.00 0.00 42.46 38.89 2gbs s ILE 63 CO 0.02 0.55 -0.05 0.00 -0.10 0.00 0.00 174.94 175.37 2gbs s ALA 64 N -0.24 3.13 -0.05 9.38 0.00 0.75 -0.20 121.76 134.53 2gbs s ALA 64 Ca 0.03 -1.17 0.00 0.00 0.00 0.00 0.00 51.96 50.81 2gbs s ALA 64 Cb -0.13 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 2gbs s ALA 64 CO 0.03 0.67 -0.01 -2.00 0.00 0.00 0.00 175.76 174.45 2gbs s GLU 65 N -2.23 2.85 -0.79 0.00 2.12 0.61 -0.09 118.70 121.17 2gbs s GLU 65 Ca 0.23 -0.52 -0.22 0.00 0.36 0.00 0.00 54.97 54.83 2gbs s GLU 65 Cb -0.11 -2.70 0.08 0.00 0.26 0.00 0.00 34.13 31.66 2gbs s GLU 65 CO 0.16 0.66 1.10 0.42 -0.54 0.00 0.00 175.26 177.06 2gbs s ILE 66 N -0.96 4.35 -0.86 -3.70 -1.09 0.22 -2.14 121.20 117.02 2gbs s ILE 66 Ca 0.16 -0.72 0.16 0.00 -2.23 0.00 0.00 60.65 58.02 2gbs s ILE 66 Cb -0.11 -4.78 0.72 0.00 -1.58 0.00 0.00 42.46 36.71 2gbs s ILE 66 CO 0.05 -1.56 1.62 2.30 -1.23 0.00 0.00 174.94 176.12 2gbs n ILE 67 N 5.94 2.04 -3.68 2.92 -5.35 0.47 -0.21 119.36 121.49 2gbs n ILE 67 Ca 0.09 -1.18 -0.11 0.00 -0.27 0.00 0.00 62.75 61.28 2gbs n ILE 67 Cb 0.47 -0.05 -0.09 0.00 -1.74 0.00 0.00 39.64 38.24 2gbs n ILE 67 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2gbs s ARG 68 N -2.13 0.59 1.00 6.28 3.52 -1.24 -4.84 118.95 122.14 2gbs s ARG 68 Ca 0.49 0.87 -0.12 0.00 -0.13 0.00 0.00 55.73 56.85 2gbs s ARG 68 Cb 0.34 0.19 0.19 0.00 -1.56 0.00 0.00 34.95 34.11 2gbs s ARG 68 CO 0.20 -0.11 1.09 -1.21 -0.81 0.00 0.00 175.30 174.46 2gbs s GLU 69 N 0.87 0.39 -0.21 5.12 2.02 -1.26 -3.85 118.70 121.79 2gbs s GLU 69 Ca -0.05 0.57 -0.29 0.00 0.02 0.00 0.00 54.97 55.23 2gbs s GLU 69 Cb -0.05 -1.73 -0.04 0.00 0.10 0.00 0.00 34.13 32.41 2gbs s GLU 69 CO -0.07 -2.77 1.80 0.00 0.02 0.00 0.00 175.26 174.23 2gbs s ALA 70 N -2.92 3.14 0.15 5.21 0.00 -1.26 -4.72 121.76 121.36 2gbs s ALA 70 Ca 0.65 0.59 0.09 0.00 0.00 0.00 0.00 51.96 53.30 2gbs s ALA 70 Cb -0.19 -3.92 -0.04 0.00 0.00 0.00 0.00 23.12 18.97 2gbs s ALA 70 CO 0.58 -2.17 -0.15 1.52 0.00 0.00 0.00 175.76 175.54 2gbs s TYR 71 N 5.96 2.57 0.07 0.00 1.13 -0.94 -4.89 117.35 121.24 2gbs s TYR 71 Ca 0.80 -0.25 -0.34 0.00 -1.41 0.00 0.00 57.07 55.88 2gbs s TYR 71 Cb -0.28 -1.30 -0.13 0.00 -1.10 0.00 0.00 41.96 39.15 2gbs s TYR 71 CO 0.33 0.46 1.72 -0.35 -2.51 0.00 0.00 175.55 175.19 2gbs n PRO 72 N 0.42 2.25 -1.70 -3.49 -0.04 -1.26 0.23 135.00 131.40 2gbs n PRO 72 Ca -0.13 0.82 -0.43 0.00 -0.04 0.00 0.00 63.50 63.71 2gbs n PRO 72 Cb 0.54 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.34 2gbs n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2gbs n ASP 73 N 4.84 3.86 0.29 3.54 -0.08 0.95 -4.73 116.55 125.22 2gbs n ASP 73 Ca 0.19 1.03 0.20 0.00 -1.51 0.00 0.00 54.79 54.70 2gbs n ASP 73 Cb 0.30 -1.53 0.98 0.00 2.34 0.00 0.00 41.12 43.21 2gbs n ASP 73 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2gbs h PRO 74 N 7.45 0.00 0.00 -0.67 0.11 -1.90 -2.20 132.00 134.80 2gbs h PRO 74 Ca -0.45 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2gbs h PRO 74 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2gbs h PRO 74 CO 0.94 0.00 -0.34 0.00 -0.21 0.00 0.00 178.00 178.39 2gbs h THR 75 N 0.00 0.29 -3.31 -1.15 1.03 -1.98 -3.45 112.91 104.34 2gbs h THR 75 Ca 0.00 -1.43 -0.56 0.00 -0.01 0.00 0.00 66.41 64.41 2gbs h THR 75 Cb 0.16 2.08 -0.04 0.00 -1.07 0.00 0.00 68.15 69.28 2gbs h THR 75 CO 0.00 0.17 0.01 -0.62 -0.01 0.00 0.00 175.52 175.06 2gbs s ASP 76 N -6.17 7.10 0.00 0.00 2.15 -0.83 -4.97 116.67 113.96 2gbs s ASP 76 Ca 0.05 1.32 0.27 0.00 0.43 0.00 0.00 52.55 54.62 2gbs s ASP 76 Cb 0.06 -2.38 0.89 0.00 -0.30 0.00 0.00 42.92 41.19 2gbs s ASP 76 CO 0.71 0.23 1.65 0.00 -0.17 0.00 0.00 175.17 177.60 2gbs n ALA 77 N 1.56 2.58 -0.06 3.66 0.00 -1.26 -4.12 120.51 122.87 2gbs n ALA 77 Ca -0.09 -0.49 -0.09 0.00 0.00 0.00 0.00 53.44 52.78 2gbs n ALA 77 Cb 0.50 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 2gbs n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gbs n SER 78 N 0.34 2.86 0.00 0.00 2.88 -1.26 -5.02 113.62 113.42 2gbs n SER 78 Ca 0.18 -0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2gbs n SER 78 Cb 0.40 -0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.65 2gbs n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gbs n GLY 79 N 2.87 0.99 0.14 0.46 0.00 -1.26 -4.98 105.19 103.40 2gbs n GLY 79 Ca -0.21 -0.26 0.04 0.00 0.00 0.00 0.00 46.02 45.58 2gbs n GLY 79 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2gbs h LYS 80 N 0.00 0.00 -6.33 1.61 3.64 -1.92 -3.45 116.57 110.12 2gbs h LYS 80 Ca 0.00 0.00 -0.61 0.00 -1.27 0.00 0.00 60.65 58.77 2gbs h LYS 80 Cb 0.05 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.76 2gbs h LYS 80 CO 0.00 0.36 -0.65 -0.06 -2.27 0.00 0.00 179.45 176.83 2gbs s PHE 81 N -3.01 2.87 0.35 1.91 0.08 -1.26 -5.04 117.98 113.88 2gbs s PHE 81 Ca 0.03 -0.12 0.09 0.00 0.12 0.00 0.00 56.93 57.04 2gbs s PHE 81 Cb 0.08 -1.40 -0.07 0.00 -0.57 0.00 0.00 43.02 41.06 2gbs s PHE 81 CO 0.75 0.51 -0.07 0.14 -0.10 0.00 0.00 175.22 176.46 2gbs s VAL 82 N -1.70 2.12 0.08 -0.44 -7.23 -1.26 -0.03 120.40 111.94 2gbs s VAL 82 Ca 0.27 -2.16 0.03 0.00 -1.81 0.00 0.00 61.98 58.31 2gbs s VAL 82 Cb -0.09 -2.69 -0.03 0.00 0.56 0.00 0.00 36.38 34.12 2gbs s VAL 82 CO 0.19 -0.18 -0.08 0.00 -0.31 0.00 0.00 175.10 174.72 2gbs s VAL 84 N -2.52 0.57 -0.14 0.00 -7.23 -1.26 -2.22 120.40 107.60 2gbs s VAL 84 Ca 0.03 -1.52 -0.17 0.00 -1.81 0.00 0.00 61.98 58.50 2gbs s VAL 84 Cb -0.02 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.72 2gbs s VAL 84 CO -0.02 -0.66 0.43 -1.81 -0.31 0.00 0.00 175.10 172.74 2gbs s ASP 85 N -2.36 6.61 0.05 4.85 1.11 -1.25 -0.84 116.67 124.84 2gbs s ASP 85 Ca 0.01 0.72 0.09 0.00 0.18 0.00 0.00 52.55 53.55 2gbs s ASP 85 Cb -0.02 -2.26 -0.03 0.00 1.07 0.00 0.00 42.92 41.69 2gbs s ASP 85 CO -0.03 0.01 -0.25 0.27 1.18 0.00 0.00 175.17 176.35 2gbs s ILE 86 N 0.67 2.00 -0.00 0.77 -4.36 0.15 -0.39 121.20 120.04 2gbs s ILE 86 Ca 0.23 -1.34 -0.02 0.00 -0.26 0.00 0.00 60.65 59.26 2gbs s ILE 86 Cb -0.15 -1.72 -0.00 0.00 1.25 0.00 0.00 42.46 41.84 2gbs s ILE 86 CO 0.09 0.32 0.04 -1.59 0.24 0.00 0.00 174.94 174.03 2gbs s LYS 87 N -1.23 0.23 0.00 0.37 -2.85 -0.91 -1.08 119.74 114.27 2gbs s LYS 87 Ca 0.11 -0.25 -0.30 0.00 -1.00 0.00 0.00 55.97 54.52 2gbs s LYS 87 Cb -0.10 0.09 -0.07 0.00 -2.06 0.00 0.00 37.83 35.69 2gbs s LYS 87 CO 0.02 -0.04 1.79 0.00 0.10 0.00 0.00 175.35 177.22 2gbs s ALA 88 N -0.75 3.62 -0.17 0.59 0.00 -1.26 -0.28 121.76 123.50 2gbs s ALA 88 Ca -0.08 1.14 -0.14 0.00 0.00 0.00 0.00 51.96 52.88 2gbs s ALA 88 Cb -0.05 -3.78 -0.05 0.00 0.00 0.00 0.00 23.12 19.23 2gbs s ALA 88 CO -0.00 -1.43 -0.25 -3.47 0.00 0.00 0.00 175.76 170.61 2gbs n ASP 89 N 7.08 1.88 -3.77 0.00 2.03 0.72 -4.89 116.55 119.59 2gbs n ASP 89 Ca 0.18 0.48 -0.13 0.00 0.52 0.00 0.00 54.79 55.84 2gbs n ASP 89 Cb 0.42 -0.81 -0.13 0.00 -0.72 0.00 0.00 41.12 39.88 2gbs n ASP 89 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2gbs s LYS 90 N -2.56 0.20 0.46 -0.67 -2.85 -1.17 -5.01 119.74 108.13 2gbs s LYS 90 Ca -0.23 0.37 -0.12 0.00 -1.00 0.00 0.00 55.97 55.00 2gbs s LYS 90 Cb 0.04 -0.02 -0.06 0.00 -2.06 0.00 0.00 37.83 35.73 2gbs s LYS 90 CO 0.34 -0.10 0.85 -1.25 0.10 0.00 0.00 175.35 175.30 2gbs s PRO 91 N 0.67 3.79 0.13 1.78 0.04 -1.26 -0.16 135.00 139.99 2gbs s PRO 91 Ca -0.05 0.60 -0.26 0.00 0.04 0.00 0.00 61.00 61.34 2gbs s PRO 91 Cb -0.06 -2.29 -0.07 0.00 0.04 0.00 0.00 34.50 32.12 2gbs s PRO 91 CO -0.04 -0.16 0.80 -0.51 0.04 0.00 0.00 177.00 177.13 2gbs s LEU 92 N -4.11 4.55 0.43 -3.56 1.43 0.21 -4.90 118.68 112.73 2gbs s LEU 92 Ca 0.53 1.63 0.22 0.00 -1.03 0.00 0.00 54.13 55.48 2gbs s LEU 92 Cb -0.10 -3.33 0.96 0.00 0.03 0.00 0.00 46.19 43.75 2gbs s LEU 92 CO 0.35 0.12 1.86 0.50 0.23 0.00 0.00 176.35 179.41 2gbs h LYS 93 N 4.84 0.00 -3.02 1.70 3.64 -1.67 -3.37 116.57 118.70 2gbs h LYS 93 Ca -0.46 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.40 2gbs h LYS 93 Cb 1.21 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.62 2gbs h LYS 93 CO 0.68 0.26 -0.77 0.99 -2.27 0.00 0.00 179.45 178.35 2gbs s THR 94 N -3.84 0.14 0.16 1.00 2.01 0.66 -4.93 115.64 110.84 2gbs s THR 94 Ca -0.01 -0.77 -0.34 0.00 0.31 0.00 0.00 61.69 60.88 2gbs s THR 94 Cb 0.12 -1.04 -0.14 0.00 0.01 0.00 0.00 72.50 71.44 2gbs s THR 94 CO 0.65 -0.62 1.51 -2.65 -0.69 0.00 0.00 174.62 172.82 2gbs n PRO 95 N 5.17 1.97 -3.24 4.92 -0.02 -1.26 -4.26 135.00 138.28 2gbs n PRO 95 Ca -0.06 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 2gbs n PRO 95 Cb 0.43 -2.44 -0.08 0.00 -0.02 0.00 0.00 33.50 31.40 2gbs n PRO 95 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2gbs s VAL 96 N 0.68 5.00 0.65 -1.45 1.01 -0.54 -4.88 120.40 120.88 2gbs s VAL 96 Ca 0.78 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 2gbs s VAL 96 Cb -0.72 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 31.60 2gbs s VAL 96 CO 0.41 -0.38 1.04 0.42 0.00 0.00 0.00 175.10 176.60 2gbs s THR 97 N 2.39 4.34 0.50 3.92 -4.23 -1.26 -0.38 115.64 120.91 2gbs s THR 97 Ca 0.17 0.78 0.18 0.00 -1.18 0.00 0.00 61.69 61.64 2gbs s THR 97 Cb -0.16 -3.62 0.25 0.00 1.34 0.00 0.00 72.50 70.32 2gbs s THR 97 CO 0.15 -0.98 2.10 0.25 -0.54 0.00 0.00 174.62 175.61 2gbs h LEU 98 N -0.47 0.00 -1.12 4.79 5.85 -0.05 0.06 115.31 124.37 2gbs h LEU 98 Ca -0.44 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 2gbs h LEU 98 Cb 1.20 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 2gbs h LEU 98 CO 0.59 0.08 0.13 0.00 -0.34 0.00 0.00 178.44 178.89 2gbs h ALA 99 N 1.92 1.29 -0.03 1.25 0.00 -1.92 -0.09 119.26 121.69 2gbs h ALA 99 Ca -0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 54.91 54.50 2gbs h ALA 99 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2gbs h ALA 99 CO 0.01 0.50 -0.90 0.00 0.00 0.00 0.00 179.25 178.86 2gbs h ALA 100 N 1.41 0.38 -0.11 0.00 0.00 -1.44 -2.84 119.26 116.67 2gbs h ALA 100 Ca 0.16 -0.68 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 2gbs h ALA 100 Cb 0.26 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2gbs h ALA 100 CO -0.00 0.79 -0.01 0.28 0.00 0.00 0.00 179.25 180.30 2gbs h VAL 101 N 0.28 1.08 -0.26 0.00 2.07 -0.55 -0.33 116.25 118.54 2gbs h VAL 101 Ca -0.07 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2gbs h VAL 101 Cb 1.52 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2gbs h VAL 101 CO 0.16 0.10 0.00 0.29 0.02 0.00 0.00 177.57 178.14 2gbs n LYS 102 N -4.43 1.76 0.02 1.57 5.02 -0.09 -4.09 118.16 117.93 2gbs n LYS 102 Ca -0.01 -1.17 -0.19 0.00 -2.02 0.00 0.00 58.31 54.92 2gbs n LYS 102 Cb 0.15 -1.33 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 2gbs n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gbs h ALA 103 N 3.83 0.14 -4.27 7.82 0.00 -0.81 -3.45 119.26 122.52 2gbs h ALA 103 Ca 0.00 -0.65 -0.54 0.00 0.00 0.00 0.00 54.91 53.72 2gbs h ALA 103 Cb 0.47 0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.01 2gbs h ALA 103 CO 0.00 0.61 -0.83 -1.83 0.00 0.00 0.00 179.25 177.20 2gbs s GLU 104 N -3.37 1.37 0.00 0.00 -1.05 -1.26 -5.02 118.70 109.37 2gbs s GLU 104 Ca -0.11 -0.64 0.19 0.00 -0.15 0.00 0.00 54.97 54.26 2gbs s GLU 104 Cb 0.06 -1.33 1.09 0.00 -0.44 0.00 0.00 34.13 33.51 2gbs s GLU 104 CO 0.90 0.36 1.53 -0.35 0.95 0.00 0.00 175.26 178.65 2gbs n PRO 105 N 2.57 0.53 0.19 -4.83 -0.04 -1.26 -2.47 135.00 129.69 2gbs n PRO 105 Ca -0.15 0.02 0.08 0.00 -0.04 0.00 0.00 63.50 63.41 2gbs n PRO 105 Cb 0.54 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.72 2gbs n PRO 105 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gbs h ARG 106 N 0.00 0.00 -0.01 0.54 3.08 -1.95 -2.87 114.38 113.16 2gbs h ARG 106 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2gbs h ARG 106 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2gbs h ARG 106 CO 0.00 0.29 -0.03 1.28 -1.07 0.00 0.00 179.97 180.44 2gbs n LEU 107 N -3.25 1.14 0.19 3.04 4.77 -1.03 -3.77 117.00 118.10 2gbs n LEU 107 Ca 0.02 -0.36 0.14 0.00 -0.03 0.00 0.00 56.01 55.77 2gbs n LEU 107 Cb 0.58 -0.02 0.47 0.00 -2.33 0.00 0.00 43.42 42.11 2gbs n LEU 107 CO 0.36 0.19 0.90 0.00 -1.33 0.00 0.00 177.39 177.51 2gbs h ALA 108 N 4.19 1.00 0.00 -1.18 0.00 -1.68 -2.46 119.26 119.13 2gbs h ALA 108 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gbs h ALA 108 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2gbs h ALA 108 CO 0.00 0.00 -0.02 -0.44 0.00 0.00 0.00 179.25 178.79 2gbs h ASP 109 N 0.00 0.00 -3.31 0.00 3.32 -1.76 -3.41 116.42 111.26 2gbs h ASP 109 Ca 0.00 -0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2gbs h ASP 109 Cb 0.62 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.19 2gbs h ASP 109 CO 0.00 0.00 0.62 -0.32 -1.72 0.00 0.00 179.24 177.82 2gbs s MET 110 N -3.15 4.41 0.59 3.56 1.75 -0.93 -4.89 119.30 120.64 2gbs s MET 110 Ca 0.09 1.96 0.29 0.00 -1.25 0.00 0.00 55.69 56.78 2gbs s MET 110 Cb 0.09 -3.24 1.49 0.00 2.84 0.00 0.00 34.83 36.01 2gbs s MET 110 CO 0.63 -0.24 1.91 0.00 -0.65 0.00 0.00 175.02 176.68 2gbs h ALA 111 N 5.81 2.15 -0.52 4.11 0.00 -1.86 0.42 119.26 129.37 2gbs h ALA 111 Ca -0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2gbs h ALA 111 Cb 1.21 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 2gbs h ALA 111 CO 0.79 -0.68 0.32 1.25 0.00 0.00 0.00 179.25 180.92 2gbs h LEU 112 N 0.00 0.62 0.00 0.00 5.85 -1.89 0.51 115.31 120.39 2gbs h LEU 112 Ca 0.20 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.90 2gbs h LEU 112 Cb 1.12 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2gbs h LEU 112 CO -0.00 0.47 -0.33 0.23 -0.34 0.00 0.00 178.44 178.47 2gbs n MET 113 N -4.43 0.02 -0.11 1.25 2.81 0.13 -3.79 117.12 113.01 2gbs n MET 113 Ca 0.05 0.01 -0.21 0.00 -1.81 0.00 0.00 57.70 55.74 2gbs n MET 113 Cb 0.07 -1.52 -0.07 0.00 -0.71 0.00 0.00 33.22 31.00 2gbs n MET 113 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2gbs n LYS 114 N -1.55 0.49 -3.90 0.03 5.02 -0.74 -4.86 118.16 112.64 2gbs n LYS 114 Ca 0.06 0.21 -0.32 0.00 -2.02 0.00 0.00 58.31 56.24 2gbs n LYS 114 Cb 0.35 -1.33 -0.13 0.00 -0.02 0.00 0.00 35.03 33.89 2gbs n LYS 114 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2gbs s TYR 115 N -2.53 3.31 -0.23 2.13 2.02 0.17 -4.89 117.35 117.33 2gbs s TYR 115 Ca -0.31 -3.04 0.25 0.00 -0.37 0.00 0.00 57.07 53.61 2gbs s TYR 115 Cb 0.10 -2.93 0.64 0.00 -0.40 0.00 0.00 41.96 39.37 2gbs s TYR 115 CO 0.41 -0.79 1.71 0.77 -1.57 0.00 0.00 175.55 176.07 2gbs h SER 116 N 6.79 0.00 1.23 2.29 0.02 -1.76 -2.98 113.55 119.13 2gbs h SER 116 Ca -0.06 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.82 2gbs h SER 116 Cb 0.92 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 2gbs h SER 116 CO 0.67 0.06 -0.31 0.03 -1.14 0.00 0.00 176.83 176.14 2gbs h ARG 117 N 0.00 0.00 -6.45 3.45 3.08 -1.91 -3.41 114.38 109.13 2gbs h ARG 117 Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 2gbs h ARG 117 Cb 0.88 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.86 2gbs h ARG 117 CO 0.01 0.31 1.04 -1.17 -1.07 0.00 0.00 179.97 179.09 2gbs s LEU 118 N -6.62 3.32 0.04 3.04 2.96 -1.13 -4.91 118.68 115.37 2gbs s LEU 118 Ca 0.02 -0.10 -0.32 0.00 -0.22 0.00 0.00 54.13 53.51 2gbs s LEU 118 Cb 0.09 -2.88 -0.18 0.00 0.50 0.00 0.00 46.19 43.72 2gbs s LEU 118 CO 0.68 -1.68 1.35 -1.28 -1.32 0.00 0.00 176.35 174.10 2gbs h SER 119 N 10.06 -0.98 -3.60 3.68 0.87 -1.86 -3.40 113.55 118.31 2gbs h SER 119 Ca -0.26 0.03 -0.68 0.00 -1.23 0.00 0.00 61.79 59.65 2gbs h SER 119 Cb 1.06 0.25 -0.18 0.00 -0.44 0.00 0.00 62.40 63.10 2gbs h SER 119 CO 1.23 -0.63 -0.24 -0.69 -0.53 0.00 0.00 176.83 175.97 2gbs s VAL 120 N -5.36 5.12 0.06 2.23 1.01 -1.26 -3.95 120.40 118.25 2gbs s VAL 120 Ca -0.17 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2gbs s VAL 120 Cb 0.02 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 2gbs s VAL 120 CO 0.52 -0.25 -0.05 0.00 0.00 0.00 0.00 175.10 175.32 2gbs s GLN 121 N 2.09 0.60 0.51 2.72 -2.07 -0.93 -4.66 119.66 117.93 2gbs s GLN 121 Ca 0.12 -1.07 -0.05 0.00 -1.82 0.00 0.00 55.36 52.54 2gbs s GLN 121 Cb -0.17 -0.00 -0.02 0.00 -1.09 0.00 0.00 33.01 31.73 2gbs s GLN 121 CO 0.13 -0.05 0.82 -1.25 -1.32 0.00 0.00 175.29 173.62 2gbs s PRO 122 N -3.08 3.37 0.01 9.60 0.05 -1.26 0.21 135.00 143.90 2gbs s PRO 122 Ca 0.01 0.15 0.02 0.00 0.05 0.00 0.00 61.00 61.24 2gbs s PRO 122 Cb 0.01 -2.34 -0.01 0.00 0.05 0.00 0.00 34.50 32.21 2gbs s PRO 122 CO -0.05 -0.35 -0.07 0.08 0.05 0.00 0.00 177.00 176.65 2gbs s VAL 123 N -2.82 0.54 0.65 -0.36 1.01 0.65 -4.30 120.40 115.77 2gbs s VAL 123 Ca 0.49 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.85 2gbs s VAL 123 Cb -0.10 -0.51 0.05 0.00 0.00 0.00 0.00 36.38 35.81 2gbs s VAL 123 CO 0.45 -0.04 0.94 0.42 0.00 0.00 0.00 175.10 176.86 2gbs s THR 124 N -0.59 2.50 0.15 3.92 -4.23 -1.26 -4.00 115.64 112.11 2gbs s THR 124 Ca -0.02 -0.37 -0.14 0.00 -1.18 0.00 0.00 61.69 59.98 2gbs s THR 124 Cb -0.05 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.77 2gbs s THR 124 CO 0.00 -0.04 1.69 0.00 -0.54 0.00 0.00 174.62 175.73 2gbs h ALA 125 N -0.37 0.60 -0.71 3.99 0.00 -1.98 0.22 119.26 121.01 2gbs h ALA 125 Ca -0.44 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 2gbs h ALA 125 Cb 1.31 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 2gbs h ALA 125 CO 0.58 0.23 0.24 1.49 0.00 0.00 0.00 179.25 181.79 2gbs h GLU 126 N 0.61 1.09 0.19 0.00 4.57 -1.99 0.20 114.58 119.25 2gbs h GLU 126 Ca 0.15 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2gbs h GLU 126 Cb 0.22 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2gbs h GLU 126 CO -0.01 0.93 -0.09 0.93 -1.18 0.00 0.00 179.01 179.59 2gbs h GLU 127 N 1.04 -0.24 -0.19 1.92 5.08 -1.90 -1.97 114.58 118.31 2gbs h GLU 127 Ca 0.23 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 2gbs h GLU 127 Cb 0.28 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.51 2gbs h GLU 127 CO -0.01 0.04 -0.28 2.35 -1.00 0.00 0.00 179.01 180.11 2gbs h TRP 128 N -0.52 -0.78 -0.85 4.33 2.91 -0.30 -0.15 115.95 120.60 2gbs h TRP 128 Ca -0.03 0.04 0.04 0.00 1.13 0.00 0.00 58.89 60.08 2gbs h TRP 128 Cb 0.39 0.37 -0.05 0.00 -0.51 0.00 0.00 29.16 29.36 2gbs h TRP 128 CO 0.01 -0.36 0.54 0.87 -1.03 0.00 0.00 178.44 178.47 2gbs h LYS 129 N -0.32 0.99 0.05 2.65 1.57 -0.65 -0.64 116.57 120.21 2gbs h LYS 129 Ca 0.12 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2gbs h LYS 129 Cb 0.51 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2gbs h LYS 129 CO -0.38 0.65 -0.03 1.25 -0.57 0.00 0.00 179.45 180.38 2gbs h LEU 130 N 1.02 -0.06 -1.17 2.94 5.85 -0.53 -0.54 115.31 122.81 2gbs h LEU 130 Ca 0.35 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 2gbs h LEU 130 Cb 0.07 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2gbs h LEU 130 CO -0.14 0.13 0.18 0.58 -0.34 0.00 0.00 178.44 178.85 2gbs h VAL 131 N -0.25 1.20 0.40 1.05 2.07 -0.81 0.18 116.25 120.10 2gbs h VAL 131 Ca -0.01 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2gbs h VAL 131 Cb 0.22 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2gbs h VAL 131 CO 0.01 0.26 -0.19 0.00 0.02 0.00 0.00 177.57 177.67 2gbs h LYS 133 N -0.65 0.00 0.00 0.00 2.10 -0.84 -0.81 116.57 116.37 2gbs h LYS 133 Ca -0.05 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.51 2gbs h LYS 133 Cb 0.48 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.79 2gbs h LYS 133 CO 0.09 0.32 -0.42 1.98 -2.00 0.00 0.00 179.45 179.42 2gbs h MET 134 N 0.00 0.00 -0.93 0.07 4.05 -0.50 -2.90 114.93 114.72 2gbs h MET 134 Ca -0.00 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.34 2gbs h MET 134 Cb 0.59 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.34 2gbs h MET 134 CO 0.04 0.42 0.10 0.41 0.23 0.00 0.00 176.91 178.11 2gbs n GLY 135 N 0.33 2.39 2.31 1.39 0.00 0.33 -4.83 105.19 107.12 2gbs n GLY 135 Ca -0.00 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 2gbs n GLY 135 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gbs n GLY 136 N 0.09 0.89 1.06 -0.02 0.00 -1.10 -0.24 105.19 105.87 2gbs n GLY 136 Ca 0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.70 2gbs n GLY 136 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2gbs n LEU 137 N -1.48 3.02 -4.29 0.99 7.94 -0.91 -4.40 117.00 117.87 2gbs n LEU 137 Ca -0.13 -1.54 -0.33 0.00 -1.11 0.00 0.00 56.01 52.91 2gbs n LEU 137 Cb 0.46 -0.56 -0.16 0.00 0.53 0.00 0.00 43.42 43.69 2gbs n LEU 137 CO 0.18 0.49 -0.50 -0.76 -1.11 0.00 0.00 177.39 175.69 2gbs s LEU 138 N -0.65 2.43 -0.40 -1.96 1.43 -1.26 -4.81 118.68 113.45 2gbs s LEU 138 Ca 0.12 -0.44 0.10 0.00 -1.03 0.00 0.00 54.13 52.88 2gbs s LEU 138 Cb 0.10 -1.52 0.34 0.00 0.03 0.00 0.00 46.19 45.13 2gbs s LEU 138 CO 0.03 0.15 0.86 -1.84 0.23 0.00 0.00 176.35 175.78 2gbs n GLU 139 N 3.60 0.99 -0.56 1.70 0.00 -1.26 -5.10 120.64 120.00 2gbs n GLU 139 Ca -0.19 -2.88 0.00 0.00 0.00 0.00 0.00 57.16 54.10 2gbs n GLU 139 Cb 0.53 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.49 2gbs n GLU 139 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2gbs n HIS 140 N 0.31 -1.50 -3.75 -1.84 -0.00 -1.26 -4.99 115.22 102.19 2gbs n HIS 140 Ca 0.18 0.79 -0.36 0.00 0.46 0.00 0.00 57.72 58.79 2gbs n HIS 140 Cb 0.67 -2.05 -0.07 0.00 -0.12 0.00 0.00 29.99 28.43 2gbs n HIS 140 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2gbs s HIS 141 N -1.78 3.53 -0.08 1.57 -3.43 -1.26 -5.08 115.29 108.75 2gbs s HIS 141 Ca 0.00 0.51 -0.14 0.00 -0.80 0.00 0.00 55.06 54.62 2gbs s HIS 141 Cb 0.00 -2.10 -0.05 0.00 -1.43 0.00 0.00 32.58 29.00 2gbs s HIS 141 CO 0.00 0.51 0.36 -1.01 -2.00 0.00 0.00 174.74 172.60 2gbs s HIS 142 N -0.35 3.60 0.02 0.38 3.76 -1.26 -5.00 115.29 116.44 2gbs s HIS 142 Ca 0.13 0.81 -0.25 0.00 -0.15 0.00 0.00 55.06 55.60 2gbs s HIS 142 Cb -0.12 -2.32 -0.18 0.00 1.11 0.00 0.00 32.58 31.07 2gbs s HIS 142 CO 0.03 0.45 1.40 1.25 -0.85 0.00 0.00 174.74 177.01 2gbs h HIS 143 N 5.69 -0.13 -0.15 1.40 2.76 -2.06 -3.46 115.15 119.20 2gbs h HIS 143 Ca -0.47 -0.00 0.26 0.00 -2.20 0.00 0.00 60.37 57.96 2gbs h HIS 143 Cb 1.20 0.04 -0.27 0.00 1.55 0.00 0.00 27.41 29.93 2gbs h HIS 143 CO 0.67 0.18 0.50 -1.58 -1.30 0.00 0.00 177.93 176.40 2gbs s HIS 144 N -4.95 -0.11 -1.20 5.26 2.46 -1.26 -5.37 115.29 110.12 2gbs s HIS 144 Ca -0.15 0.18 0.10 0.00 0.47 0.00 0.00 55.06 55.66 2gbs s HIS 144 Cb 0.03 0.06 0.08 0.00 -0.13 0.00 0.00 32.58 32.62 2gbs s HIS 144 CO 0.63 -0.05 0.80 1.58 -2.47 0.00 0.00 174.74 175.23