#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbs n ALA 2 N 0.00 0.00 -2.39 2.33 0.00 -1.26 -4.98 120.51 114.21 2gbs n ALA 2 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2gbs n ALA 2 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2gbs n ALA 2 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2gbs s TYR 3 N -1.29 2.18 0.14 0.00 2.02 -1.20 -2.34 117.35 116.87 2gbs s TYR 3 Ca 0.00 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 2gbs s TYR 3 Cb 0.00 -1.27 -0.01 0.00 -0.40 0.00 0.00 41.96 40.28 2gbs s TYR 3 CO 0.00 0.17 0.11 0.91 -1.57 0.00 0.00 175.55 175.17 2gbs n TRP 4 N 1.57 -0.27 -3.68 2.71 7.02 0.50 -0.09 117.44 125.21 2gbs n TRP 4 Ca -0.17 -1.17 -0.09 0.00 -1.02 0.00 0.00 57.50 55.05 2gbs n TRP 4 Cb 0.53 0.10 -0.10 0.00 -2.42 0.00 0.00 31.31 29.42 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 -0.37 -0.06 -0.99 0.20 0.43 -0.29 118.68 117.60 2gbs s LEU 5 Ca 0.15 1.08 0.04 0.00 0.69 0.00 0.00 54.13 56.09 2gbs s LEU 5 Cb 0.01 1.64 -0.02 0.00 -0.43 0.00 0.00 46.19 47.39 2gbs s LEU 5 CO 0.11 -0.21 -0.16 0.68 -0.29 0.00 0.00 176.35 176.48 2gbs s VAL 6 N 1.56 2.86 -0.25 1.68 -7.23 -0.19 -0.30 120.40 118.53 2gbs s VAL 6 Ca -0.09 -0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.14 2gbs s VAL 6 Cb -0.08 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 2gbs s VAL 6 CO -0.15 0.58 0.39 -0.54 -0.31 0.00 0.00 175.10 175.07 2gbs s LYS 7 N -0.54 4.06 0.11 4.82 1.02 -0.82 -1.81 119.74 126.56 2gbs s LYS 7 Ca 0.07 0.10 0.08 0.00 0.02 0.00 0.00 55.97 56.25 2gbs s LYS 7 Cb -0.11 -3.63 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 2gbs s LYS 7 CO 0.01 -0.23 -0.21 0.45 -0.92 0.00 0.00 175.35 174.45 2gbs s SER 8 N 1.50 2.58 -0.30 2.83 0.15 0.60 -4.96 113.70 116.10 2gbs s SER 8 Ca 0.16 -0.69 -0.10 0.00 0.70 0.00 0.00 55.95 56.02 2gbs s SER 8 Cb -0.15 -0.14 -0.02 0.00 -1.71 0.00 0.00 66.02 63.99 2gbs s SER 8 CO 0.09 0.06 0.15 -1.61 1.20 0.00 0.00 173.24 173.14 2gbs s GLU 9 N -1.94 3.51 0.54 5.44 2.02 -1.26 -0.01 118.70 127.00 2gbs s GLU 9 Ca 0.07 -0.60 0.30 0.00 0.02 0.00 0.00 54.97 54.76 2gbs s GLU 9 Cb -0.10 -3.56 1.53 0.00 0.10 0.00 0.00 34.13 32.11 2gbs s GLU 9 CO 0.04 -0.34 2.08 -1.00 0.02 0.00 0.00 175.26 176.07 2gbs h PRO 10 N 8.35 0.00 0.00 0.39 0.13 -1.74 0.32 132.00 139.44 2gbs h PRO 10 Ca -0.34 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 2gbs h PRO 10 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2gbs h PRO 10 CO 0.60 0.09 -0.20 0.77 -0.23 0.00 0.00 178.00 179.04 2gbs h SER 11 N 0.00 0.00 0.00 1.44 0.02 -1.91 -3.34 113.55 109.77 2gbs h SER 11 Ca -0.00 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.72 2gbs h SER 11 Cb 0.34 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 2gbs h SER 11 CO 0.01 0.20 -1.66 0.52 -1.14 0.00 0.00 176.83 174.76 2gbs n VAL 12 N -3.75 1.23 -3.95 2.27 0.31 -0.37 -4.98 118.33 109.09 2gbs n VAL 12 Ca -0.02 -0.11 -0.29 0.00 -0.01 0.00 0.00 64.34 63.91 2gbs n VAL 12 Cb 0.30 -1.91 -0.17 0.00 -0.91 0.00 0.00 33.84 31.16 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 -2.48 1.86 0.51 3.52 -0.11 0.97 -5.08 118.94 118.14 2gbs s TRP 13 Ca -0.26 -1.08 -0.03 0.00 1.22 0.00 0.00 56.10 55.96 2gbs s TRP 13 Cb 0.08 -1.42 -0.00 0.00 -1.50 0.00 0.00 33.47 30.63 2gbs s TRP 13 CO 0.34 -0.62 0.77 -1.54 -4.62 0.00 0.00 176.95 171.29 2gbs s SER 14 N 1.58 5.77 0.21 5.86 1.04 -1.26 -3.73 113.70 123.18 2gbs s SER 14 Ca 0.03 0.51 -0.02 0.00 0.48 0.00 0.00 55.95 56.96 2gbs s SER 14 Cb -0.14 -1.66 0.19 0.00 0.10 0.00 0.00 66.02 64.51 2gbs s SER 14 CO -0.09 -0.84 1.57 -0.25 0.98 0.00 0.00 173.24 174.61 2gbs h TRP 15 N 0.15 0.68 -0.69 5.02 2.91 -1.97 -3.14 115.95 118.90 2gbs h TRP 15 Ca -0.46 -0.21 0.05 0.00 1.13 0.00 0.00 58.89 59.40 2gbs h TRP 15 Cb 1.25 -0.14 -0.05 0.00 -0.51 0.00 0.00 29.16 29.71 2gbs h TRP 15 CO 0.47 0.90 0.41 0.22 -1.03 0.00 0.00 178.44 179.41 2gbs h ASP 16 N 0.45 0.64 0.56 2.65 3.58 -1.99 -1.35 116.42 120.96 2gbs h ASP 16 Ca 0.03 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.46 2gbs h ASP 16 Cb 0.95 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.88 2gbs h ASP 16 CO 0.08 0.42 -0.18 1.56 -2.88 0.00 0.00 179.24 178.25 2gbs h GLN 17 N 0.77 0.00 -0.03 0.28 4.20 -1.95 0.13 115.11 118.50 2gbs h GLN 17 Ca 0.30 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.85 2gbs h GLN 17 Cb 0.12 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.91 2gbs h GLN 17 CO -0.15 0.18 -0.60 0.37 -0.67 0.00 0.00 178.83 177.95 2gbs h GLN 18 N 0.00 0.47 -0.38 1.46 -0.00 -1.27 -3.09 115.11 112.31 2gbs h GLN 18 Ca -0.00 -0.46 -0.04 0.00 -0.00 0.00 0.00 58.65 58.15 2gbs h GLN 18 Cb 0.50 0.12 -0.02 0.00 0.00 0.00 0.00 27.48 28.08 2gbs h GLN 18 CO 0.02 1.10 0.07 0.28 0.00 0.00 0.00 178.83 180.31 2gbs h VAL 19 N 0.01 1.18 -0.60 2.39 2.07 -0.77 -1.27 116.25 119.26 2gbs h VAL 19 Ca -0.07 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.79 2gbs h VAL 19 Cb 1.29 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2gbs h VAL 19 CO 0.12 0.24 0.38 0.00 0.02 0.00 0.00 177.57 178.33 2gbs h ALA 20 N 1.54 1.54 -0.59 1.67 0.00 -0.99 -0.76 119.26 121.66 2gbs h ALA 20 Ca 0.13 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.81 2gbs h ALA 20 Cb 0.24 -0.24 -0.10 0.00 0.00 0.00 0.00 17.79 17.69 2gbs h ALA 20 CO -0.00 0.42 0.17 0.36 0.00 0.00 0.00 179.25 180.19 2gbs n LYS 21 N -4.43 3.35 0.11 0.00 2.85 -0.83 -4.68 118.16 114.53 2gbs n LYS 21 Ca 0.06 -3.06 0.09 0.00 -1.05 0.00 0.00 58.31 54.34 2gbs n LYS 21 Cb 0.06 -2.10 0.56 0.00 -0.65 0.00 0.00 35.03 32.90 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 2.31 0.26 1.16 2.58 0.00 0.02 0.62 103.07 110.02 2gbs h GLY 22 Ca 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2gbs h GLY 22 CO 0.59 0.08 -0.50 0.00 0.00 0.00 0.00 176.54 176.71 2gbs n ALA 23 N -2.53 3.18 -0.10 3.60 0.00 -1.26 -4.37 120.51 119.03 2gbs n ALA 23 Ca 0.02 -0.29 -0.22 0.00 0.00 0.00 0.00 53.44 52.96 2gbs n ALA 23 Cb 0.17 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.37 2gbs n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gbs n ALA 24 N -1.63 1.60 0.00 0.00 0.00 -0.08 -5.13 120.51 115.27 2gbs n ALA 24 Ca 0.05 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2gbs n ALA 24 Cb 0.38 0.21 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 1.68 -0.10 3.05 0.00 0.00 0.20 -5.01 105.19 105.00 2gbs n GLY 25 Ca -0.40 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.25 0.41 -0.13 1.61 -1.05 0.13 -4.93 118.70 112.49 2gbs s GLU 26 Ca 0.00 -0.55 -0.22 0.00 -0.15 0.00 0.00 54.97 54.05 2gbs s GLU 26 Cb 0.00 0.16 -0.03 0.00 -0.44 0.00 0.00 34.13 33.82 2gbs s GLU 26 CO 0.00 -0.09 0.68 0.00 0.95 0.00 0.00 175.26 176.80 2gbs s ALA 27 N -1.57 3.44 -1.43 -0.84 0.00 -1.26 -0.23 121.76 119.87 2gbs s ALA 27 Ca -0.14 -0.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.64 2gbs s ALA 27 Cb -0.08 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2gbs s ALA 27 CO -0.00 -0.32 2.35 1.87 0.00 0.00 0.00 175.76 179.65 2gbs n TRP 28 N 4.40 3.17 -2.40 0.00 -0.00 -0.75 -4.94 117.44 116.92 2gbs n TRP 28 Ca -0.01 -2.90 -0.31 0.00 -0.00 0.00 0.00 57.50 54.28 2gbs n TRP 28 Cb 0.50 -2.47 -0.02 0.00 -0.00 0.00 0.00 31.31 29.32 2gbs n TRP 28 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2gbs s THR 29 N 3.13 4.68 0.00 5.87 -4.23 -1.26 -4.32 115.64 119.51 2gbs s THR 29 Ca 0.52 0.88 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 2gbs s THR 29 Cb 0.15 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.21 2gbs s THR 29 CO -0.07 -0.78 0.00 0.61 -0.54 0.00 0.00 174.62 173.84 2gbs n GLY 30 N -1.88 0.95 3.44 3.99 0.00 -1.26 -5.03 105.19 105.40 2gbs n GLY 30 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 4.75 -2.31 1.61 -7.23 -1.26 -4.73 120.40 109.22 2gbs s VAL 31 Ca 0.00 -1.53 0.23 0.00 -1.81 0.00 0.00 61.98 58.87 2gbs s VAL 31 Cb 0.00 -4.75 0.08 0.00 0.56 0.00 0.00 36.38 32.27 2gbs s VAL 31 CO 0.00 -1.47 1.18 0.54 -0.31 0.00 0.00 175.10 175.05 2gbs n ARG 32 N 6.47 1.52 -2.53 4.82 1.74 -1.26 -4.57 116.66 122.85 2gbs n ARG 32 Ca 0.21 -1.24 -0.42 0.00 -0.77 0.00 0.00 57.85 55.62 2gbs n ARG 32 Cb 0.49 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 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 -2.33 7.12 0.32 0.55 2.47 -1.26 -4.93 114.94 116.89 2gbs s ASN 33 Ca 0.22 1.74 0.02 0.00 0.42 0.00 0.00 52.86 55.26 2gbs s ASN 33 Cb 0.19 -2.56 0.59 0.00 -1.45 0.00 0.00 41.25 38.02 2gbs s ASN 33 CO 0.48 -0.52 1.93 0.45 -3.72 0.00 0.00 177.10 175.72 2gbs h HIS 34 N 7.29 0.96 -0.48 0.43 3.86 -1.99 -1.24 115.15 123.98 2gbs h HIS 34 Ca -0.34 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 58.97 2gbs h HIS 34 Cb 1.16 -0.32 -0.06 0.00 1.06 0.00 0.00 27.41 29.26 2gbs h HIS 34 CO 0.72 0.51 0.13 0.77 0.86 0.00 0.00 177.93 180.92 2gbs h SER 35 N 0.95 0.09 -0.36 2.45 0.02 -1.99 -0.21 113.55 114.50 2gbs h SER 35 Ca 0.36 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.30 2gbs h SER 35 Cb 0.20 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2gbs h SER 35 CO -0.13 0.08 -0.11 0.00 -1.14 0.00 0.00 176.83 175.53 2gbs h ALA 36 N 1.34 0.49 -0.05 3.77 0.00 -1.57 -2.60 119.26 120.64 2gbs h ALA 36 Ca 0.23 -0.32 0.02 0.00 0.00 0.00 0.00 54.91 54.84 2gbs h ALA 36 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2gbs h ALA 36 CO -0.27 0.37 -0.06 -0.22 0.00 0.00 0.00 179.25 179.07 2gbs h LYS 37 N 0.49 -0.08 -0.82 0.00 3.64 -0.91 -0.89 116.57 118.00 2gbs h LYS 37 Ca 0.09 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2gbs h LYS 37 Cb 0.63 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 2gbs h LYS 37 CO 0.04 -0.05 0.52 -0.07 -2.27 0.00 0.00 179.45 177.62 2gbs h LEU 38 N -0.08 0.96 -0.88 5.20 4.07 -1.01 -0.99 115.31 122.57 2gbs h LEU 38 Ca 0.04 -0.04 -0.12 0.00 0.08 0.00 0.00 57.88 57.85 2gbs h LEU 38 Cb 0.14 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 2gbs h LEU 38 CO -0.10 0.71 -0.49 0.45 -1.08 0.00 0.00 178.44 177.93 2gbs h HIS 39 N 1.12 0.21 -0.05 1.13 3.86 -1.11 -2.77 115.15 117.54 2gbs h HIS 39 Ca 0.30 -0.06 -0.12 0.00 -1.16 0.00 0.00 60.37 59.33 2gbs h HIS 39 Cb -0.10 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2gbs h HIS 39 CO 0.00 0.63 -0.50 0.52 0.86 0.00 0.00 177.93 179.44 2gbs h MET 40 N 0.14 0.12 -0.21 2.45 2.86 0.02 -1.76 114.93 118.56 2gbs h MET 40 Ca 0.01 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.55 2gbs h MET 40 Cb 0.91 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 2gbs h MET 40 CO 0.07 0.60 -0.01 0.28 1.06 0.00 0.00 176.91 178.91 2gbs h VAL 41 N 0.10 1.14 0.05 -2.22 2.07 -0.94 -1.87 116.25 114.58 2gbs h VAL 41 Ca 0.00 -0.54 -0.23 0.00 0.82 0.00 0.00 66.70 66.75 2gbs h VAL 41 Cb 0.92 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2gbs h VAL 41 CO 0.07 0.18 -1.07 0.00 0.02 0.00 0.00 177.57 176.77 2gbs h ALA 42 N 1.70 0.29 -2.64 1.67 0.00 -1.41 -3.46 119.26 115.41 2gbs h ALA 42 Ca 0.07 -0.86 -0.52 0.00 0.00 0.00 0.00 54.91 53.60 2gbs h ALA 42 Cb 0.22 -0.08 0.06 0.00 0.00 0.00 0.00 17.79 17.99 2gbs h ALA 42 CO 0.01 1.07 1.01 -1.64 0.00 0.00 0.00 179.25 179.69 2gbs s MET 43 N -2.79 4.14 0.38 0.00 -1.94 -0.69 -4.82 119.30 113.57 2gbs s MET 43 Ca -0.02 2.58 0.04 0.00 -1.71 0.00 0.00 55.69 56.57 2gbs s MET 43 Cb 0.09 -3.12 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 2gbs s MET 43 CO 0.85 -0.74 0.10 1.03 -0.01 0.00 0.00 175.02 176.24 2gbs s ARG 44 N 1.30 1.83 -0.07 2.03 0.52 -1.26 -4.12 118.95 119.17 2gbs s ARG 44 Ca 0.75 -2.08 -0.29 0.00 -0.52 0.00 0.00 55.73 53.58 2gbs s ARG 44 Cb -0.49 -0.71 -0.06 0.00 0.52 0.00 0.00 34.95 34.21 2gbs s ARG 44 CO 0.32 -0.37 1.86 1.03 0.02 0.00 0.00 175.30 178.16 2gbs s ARG 45 N -3.79 3.95 0.00 3.54 0.52 -1.25 -1.58 118.95 120.33 2gbs s ARG 45 Ca 0.28 2.26 0.00 0.00 -0.52 0.00 0.00 55.73 57.74 2gbs s ARG 45 Cb 0.05 -4.12 0.00 0.00 0.52 0.00 0.00 34.95 31.39 2gbs s ARG 45 CO 0.14 -1.15 0.00 0.41 0.02 0.00 0.00 175.30 174.72 2gbs n GLY 46 N 4.63 2.08 3.76 -3.53 0.00 -0.80 -4.97 105.19 106.36 2gbs n GLY 46 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.71 6.54 -0.03 1.61 1.11 -0.61 -4.82 116.67 118.76 2gbs s ASP 47 Ca 0.00 2.82 0.06 0.00 0.18 0.00 0.00 52.55 55.61 2gbs s ASP 47 Cb 0.00 -2.64 -0.01 0.00 1.07 0.00 0.00 42.92 41.34 2gbs s ASP 47 CO 0.00 -0.76 -0.21 -0.13 1.18 0.00 0.00 175.17 175.25 2gbs s ARG 48 N -1.03 1.90 0.23 8.23 0.52 -0.99 -0.46 118.95 127.36 2gbs s ARG 48 Ca 0.57 -0.73 0.10 0.00 -0.52 0.00 0.00 55.73 55.14 2gbs s ARG 48 Cb -0.44 -1.72 -0.05 0.00 0.52 0.00 0.00 34.95 33.26 2gbs s ARG 48 CO 0.50 0.37 -0.17 0.00 0.02 0.00 0.00 175.30 176.02 2gbs s ALA 49 N -0.25 2.32 -0.09 2.13 0.00 0.87 -0.37 121.76 126.37 2gbs s ALA 49 Ca 0.02 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 50.05 2gbs s ALA 49 Cb -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.80 2gbs s ALA 49 CO 0.01 0.18 0.58 -0.06 0.00 0.00 0.00 175.76 176.47 2gbs s PHE 50 N -2.63 3.55 -0.65 0.00 0.08 0.60 -0.26 117.98 118.66 2gbs s PHE 50 Ca 0.25 1.05 -0.22 0.00 0.12 0.00 0.00 56.93 58.13 2gbs s PHE 50 Cb -0.03 -2.66 0.07 0.00 -0.57 0.00 0.00 43.02 39.83 2gbs s PHE 50 CO 0.10 0.14 0.93 -0.47 -0.10 0.00 0.00 175.22 175.82 2gbs s TYR 51 N 0.67 2.72 -0.22 0.36 5.04 0.39 -1.02 117.35 125.29 2gbs s TYR 51 Ca 0.31 -0.58 -0.06 0.00 -2.44 0.00 0.00 57.07 54.30 2gbs s TYR 51 Cb -0.16 -4.24 -0.03 0.00 0.35 0.00 0.00 41.96 37.88 2gbs s TYR 51 CO 0.14 -1.59 0.02 -0.47 -1.34 0.00 0.00 175.55 172.31 2gbs s TYR 52 N 3.88 3.06 -0.03 4.97 5.04 -0.75 -1.85 117.35 131.68 2gbs s TYR 52 Ca 0.21 -0.43 -0.21 0.00 -2.44 0.00 0.00 57.07 54.20 2gbs s TYR 52 Cb -0.18 -2.13 -0.05 0.00 0.35 0.00 0.00 41.96 39.95 2gbs s TYR 52 CO 0.10 -0.27 0.60 -1.01 -1.34 0.00 0.00 175.55 173.64 2gbs s HIS 53 N 1.17 3.64 0.51 4.97 3.76 -0.57 -0.29 115.29 128.48 2gbs s HIS 53 Ca 0.03 1.17 0.08 0.00 -0.15 0.00 0.00 55.06 56.20 2gbs s HIS 53 Cb -0.14 -2.64 0.04 0.00 1.11 0.00 0.00 32.58 30.94 2gbs s HIS 53 CO 0.02 0.28 0.56 -1.12 -0.85 0.00 0.00 174.74 173.63 2gbs s SER 54 N 0.11 5.03 0.72 1.40 0.01 0.99 -0.81 113.70 121.15 2gbs s SER 54 Ca 0.32 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.70 2gbs s SER 54 Cb -0.18 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2gbs s SER 54 CO 0.17 -1.05 0.00 0.59 0.41 0.00 0.00 173.24 173.36 2gbs n ASN 55 N -1.90 0.00 -4.43 2.44 3.02 -1.26 -4.28 115.26 108.84 2gbs n ASN 55 Ca 0.07 0.00 -0.44 0.00 -0.03 0.00 0.00 54.58 54.18 2gbs n ASN 55 Cb 0.62 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.78 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 3.82 0.00 3.52 -1.05 -1.26 -4.28 118.70 119.44 2gbs s GLU 56 Ca 0.00 -2.26 0.00 0.00 -0.15 0.00 0.00 54.97 52.56 2gbs s GLU 56 Cb 0.00 -4.86 0.00 0.00 -0.44 0.00 0.00 34.13 28.83 2gbs s GLU 56 CO 0.00 -1.65 0.00 0.41 0.95 0.00 0.00 175.26 174.97 2gbs n GLY 57 N 4.57 0.76 3.63 -3.83 0.00 -1.26 -4.78 105.19 104.28 2gbs n GLY 57 Ca 0.27 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.47 -3.73 1.61 5.02 0.01 -4.77 118.16 114.83 2gbs n LYS 58 Ca 0.00 0.51 -0.14 0.00 -2.02 0.00 0.00 58.31 56.67 2gbs n LYS 58 Cb 0.00 -4.38 -0.09 0.00 -0.02 0.00 0.00 35.03 30.54 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 -5.77 0.65 -0.34 1.97 -1.05 -1.05 0.00 118.70 113.11 2gbs s GLU 59 Ca 0.46 0.10 -0.22 0.00 -0.15 0.00 0.00 54.97 55.16 2gbs s GLU 59 Cb -0.15 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.84 2gbs s GLU 59 CO 0.84 -0.16 0.71 0.42 0.95 0.00 0.00 175.26 178.02 2gbs s ILE 60 N -0.81 4.84 -0.10 1.83 1.01 0.71 -1.52 121.20 127.15 2gbs s ILE 60 Ca -0.09 0.84 0.13 0.00 0.00 0.00 0.00 60.65 61.54 2gbs s ILE 60 Cb -0.04 -4.11 -0.19 0.00 0.01 0.00 0.00 42.46 38.13 2gbs s ILE 60 CO 0.04 -0.30 0.13 1.33 0.00 0.00 0.00 174.94 176.14 2gbs n VAL 61 N 5.59 0.68 -3.89 2.92 0.24 -0.77 -1.83 118.33 121.27 2gbs n VAL 61 Ca 0.01 -0.52 -0.08 0.00 -2.04 0.00 0.00 64.34 61.71 2gbs n VAL 61 Cb 0.48 -0.40 -0.02 0.00 -1.47 0.00 0.00 33.84 32.43 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 -4.43 0.15 -0.14 7.63 0.00 -1.25 -0.59 107.32 108.69 2gbs s GLY 62 Ca -0.07 -0.53 -0.07 0.00 0.00 0.00 0.00 44.72 44.06 2gbs s GLY 62 CO 0.59 -0.27 0.09 -0.42 0.00 0.00 0.00 173.10 173.09 2gbs s ILE 63 N -3.74 5.06 0.12 0.90 1.01 0.43 -0.46 121.20 124.51 2gbs s ILE 63 Ca 0.15 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.92 2gbs s ILE 63 Cb -0.04 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.16 2gbs s ILE 63 CO 0.08 0.54 -0.08 0.00 0.00 0.00 0.00 174.94 175.49 2gbs s ALA 64 N -0.39 3.00 -0.03 9.38 0.00 0.64 0.19 121.76 134.55 2gbs s ALA 64 Ca 0.10 -1.28 0.06 0.00 0.00 0.00 0.00 51.96 50.84 2gbs s ALA 64 Cb -0.12 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.09 2gbs s ALA 64 CO 0.02 0.61 -0.20 -2.00 0.00 0.00 0.00 175.76 174.18 2gbs s GLU 65 N -2.38 1.84 -0.43 0.00 2.12 0.84 -0.09 118.70 120.60 2gbs s GLU 65 Ca 0.23 -0.73 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 2gbs s GLU 65 Cb -0.11 -1.69 0.02 0.00 0.26 0.00 0.00 34.13 32.62 2gbs s GLU 65 CO 0.15 0.38 1.15 0.42 -0.54 0.00 0.00 175.26 176.81 2gbs s ILE 66 N -0.29 4.25 -1.56 -3.70 -1.09 0.40 -1.88 121.20 117.33 2gbs s ILE 66 Ca 0.03 1.33 0.18 0.00 -2.23 0.00 0.00 60.65 59.96 2gbs s ILE 66 Cb -0.10 -4.52 0.51 0.00 -1.58 0.00 0.00 42.46 36.77 2gbs s ILE 66 CO 0.01 -0.85 1.43 2.30 -1.23 0.00 0.00 174.94 176.59 2gbs n ILE 67 N 6.61 0.99 -3.71 2.92 -5.35 0.42 -1.91 119.36 119.34 2gbs n ILE 67 Ca 0.12 -1.00 -0.13 0.00 -0.27 0.00 0.00 62.75 61.47 2gbs n ILE 67 Cb 0.48 0.51 -0.09 0.00 -1.74 0.00 0.00 39.64 38.80 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 -1.00 0.57 0.82 6.28 3.52 -1.24 -4.91 118.95 122.98 2gbs s ARG 68 Ca 0.39 0.64 -0.11 0.00 -0.13 0.00 0.00 55.73 56.52 2gbs s ARG 68 Cb 0.20 0.28 0.08 0.00 -1.56 0.00 0.00 34.95 33.95 2gbs s ARG 68 CO 0.26 -0.07 1.09 -1.21 -0.81 0.00 0.00 175.30 174.56 2gbs s GLU 69 N 0.19 1.91 -0.03 5.12 2.02 -1.26 -4.18 118.70 122.47 2gbs s GLU 69 Ca -0.01 0.84 -0.30 0.00 0.02 0.00 0.00 54.97 55.53 2gbs s GLU 69 Cb -0.03 -1.88 -0.07 0.00 0.10 0.00 0.00 34.13 32.25 2gbs s GLU 69 CO 0.01 -1.79 1.83 0.00 0.02 0.00 0.00 175.26 175.32 2gbs s ALA 70 N -3.01 3.53 0.21 5.21 0.00 -1.26 -4.83 121.76 121.62 2gbs s ALA 70 Ca 0.61 1.08 0.08 0.00 0.00 0.00 0.00 51.96 53.74 2gbs s ALA 70 Cb -0.16 -3.82 -0.05 0.00 0.00 0.00 0.00 23.12 19.09 2gbs s ALA 70 CO 0.56 -1.59 -0.15 1.52 0.00 0.00 0.00 175.76 176.10 2gbs s TYR 71 N 4.53 1.76 0.23 0.00 1.13 -0.99 -4.92 117.35 119.09 2gbs s TYR 71 Ca 0.82 -0.56 -0.31 0.00 -1.41 0.00 0.00 57.07 55.61 2gbs s TYR 71 Cb -0.37 -0.82 -0.13 0.00 -1.10 0.00 0.00 41.96 39.54 2gbs s TYR 71 CO 0.35 0.39 1.42 -0.35 -2.51 0.00 0.00 175.55 174.85 2gbs n PRO 72 N -0.40 2.04 -2.28 -3.49 -0.04 -1.26 0.17 135.00 129.74 2gbs n PRO 72 Ca -0.08 0.73 -0.42 0.00 -0.04 0.00 0.00 63.50 63.69 2gbs n PRO 72 Cb 0.60 -2.39 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 2gbs n PRO 72 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2gbs s ASP 73 N 0.34 6.90 0.00 3.54 -1.08 0.72 -4.61 116.67 122.49 2gbs s ASP 73 Ca 0.69 2.06 0.08 0.00 -0.52 0.00 0.00 52.55 54.86 2gbs s ASP 73 Cb -0.65 -2.56 0.36 0.00 -1.46 0.00 0.00 42.92 38.60 2gbs s ASP 73 CO 0.49 -0.68 1.18 -2.65 0.52 0.00 0.00 175.17 174.03 2gbs n PRO 74 N 5.20 0.06 0.10 4.34 -0.02 -1.26 -1.97 135.00 141.44 2gbs n PRO 74 Ca 0.12 0.29 0.12 0.00 -2.02 0.00 0.00 63.50 62.02 2gbs n PRO 74 Cb 0.44 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.65 2gbs n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gbs h THR 75 N 0.00 0.00 -3.54 3.45 1.03 -1.97 -3.46 112.91 108.42 2gbs h THR 75 Ca 0.00 -0.61 -0.50 0.00 -0.01 0.00 0.00 66.41 65.29 2gbs h THR 75 Cb 0.10 1.38 0.01 0.00 -1.07 0.00 0.00 68.15 68.57 2gbs h THR 75 CO 0.00 0.00 0.06 -0.62 -0.01 0.00 0.00 175.52 174.95 2gbs s ASP 76 N -4.72 6.41 0.00 0.00 2.15 -0.83 -4.99 116.67 114.69 2gbs s ASP 76 Ca 0.07 0.97 0.26 0.00 0.43 0.00 0.00 52.55 54.28 2gbs s ASP 76 Cb 0.11 -2.26 0.76 0.00 -0.30 0.00 0.00 42.92 41.23 2gbs s ASP 76 CO 0.68 -0.42 1.57 0.00 -0.17 0.00 0.00 175.17 176.83 2gbs n ALA 77 N -1.59 2.87 0.00 3.66 0.00 -1.26 -4.31 120.51 119.88 2gbs n ALA 77 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2gbs n ALA 77 Cb 0.54 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.91 2gbs n ALA 77 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2gbs n SER 78 N -0.09 1.65 0.00 0.00 3.41 -1.26 -5.02 113.62 112.30 2gbs n SER 78 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 2gbs n SER 78 Cb 0.38 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2gbs n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2gbs n GLY 79 N 1.09 1.25 0.20 5.00 0.00 -1.26 -4.98 105.19 106.49 2gbs n GLY 79 Ca 0.00 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -6.19 1.61 3.64 -1.92 -3.44 116.57 110.26 2gbs h LYS 80 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 2gbs h LYS 80 Cb 0.16 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.88 2gbs h LYS 80 CO 0.00 0.00 -0.65 -0.06 -2.27 0.00 0.00 179.45 176.47 2gbs s PHE 81 N -3.21 2.64 0.36 1.91 0.08 -1.26 -5.04 117.98 113.46 2gbs s PHE 81 Ca 0.07 -0.25 0.09 0.00 0.12 0.00 0.00 56.93 56.96 2gbs s PHE 81 Cb 0.06 -1.19 -0.07 0.00 -0.57 0.00 0.00 43.02 41.25 2gbs s PHE 81 CO 0.65 0.62 -0.06 0.14 -0.10 0.00 0.00 175.22 176.47 2gbs s VAL 82 N -2.36 2.13 0.09 -0.44 -7.23 -1.26 -0.20 120.40 111.13 2gbs s VAL 82 Ca 0.32 -2.15 -0.10 0.00 -1.81 0.00 0.00 61.98 58.24 2gbs s VAL 82 Cb -0.06 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2gbs s VAL 82 CO 0.19 -0.15 0.22 0.00 -0.31 0.00 0.00 175.10 175.05 2gbs s VAL 84 N -3.79 0.59 -0.20 0.00 -7.23 -1.26 -2.35 120.40 106.15 2gbs s VAL 84 Ca 0.04 -1.36 -0.23 0.00 -1.81 0.00 0.00 61.98 58.62 2gbs s VAL 84 Cb 0.04 -0.96 -0.02 0.00 0.56 0.00 0.00 36.38 36.00 2gbs s VAL 84 CO -0.11 -0.55 0.74 -1.81 -0.31 0.00 0.00 175.10 173.07 2gbs s ASP 85 N -2.06 6.80 0.07 4.85 1.11 -1.26 -1.82 116.67 124.35 2gbs s ASP 85 Ca -0.03 0.98 0.07 0.00 0.18 0.00 0.00 52.55 53.75 2gbs s ASP 85 Cb -0.05 -2.40 -0.04 0.00 1.07 0.00 0.00 42.92 41.50 2gbs s ASP 85 CO -0.01 -0.38 -0.17 0.27 1.18 0.00 0.00 175.17 176.06 2gbs s ILE 86 N 2.24 2.90 0.03 0.77 -4.36 0.68 -0.44 121.20 123.02 2gbs s ILE 86 Ca 0.33 -1.28 -0.11 0.00 -0.26 0.00 0.00 60.65 59.33 2gbs s ILE 86 Cb -0.16 -2.27 0.01 0.00 1.25 0.00 0.00 42.46 41.29 2gbs s ILE 86 CO 0.10 0.24 0.23 -1.59 0.24 0.00 0.00 174.94 174.16 2gbs s LYS 87 N -1.73 0.68 0.32 0.37 -2.85 -0.79 -0.69 119.74 115.04 2gbs s LYS 87 Ca 0.16 -0.50 -0.29 0.00 -1.00 0.00 0.00 55.97 54.34 2gbs s LYS 87 Cb -0.11 0.29 -0.11 0.00 -2.06 0.00 0.00 37.83 35.84 2gbs s LYS 87 CO 0.08 -0.20 1.57 0.00 0.10 0.00 0.00 175.35 176.90 2gbs s ALA 88 N -2.18 3.70 -0.01 0.59 0.00 -1.26 -0.11 121.76 122.49 2gbs s ALA 88 Ca -0.08 1.58 -0.01 0.00 0.00 0.00 0.00 51.96 53.45 2gbs s ALA 88 Cb -0.03 -3.64 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 2gbs s ALA 88 CO -0.02 -1.01 -0.02 -3.47 0.00 0.00 0.00 175.76 171.25 2gbs n ASP 89 N 1.70 0.13 -3.71 0.00 2.03 0.13 -4.77 116.55 112.06 2gbs n ASP 89 Ca 0.06 0.02 -0.13 0.00 0.52 0.00 0.00 54.79 55.26 2gbs n ASP 89 Cb 0.38 -0.42 -0.09 0.00 -0.72 0.00 0.00 41.12 40.26 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 -1.12 0.55 0.79 -0.67 -2.85 -1.21 -5.00 119.74 110.23 2gbs s LYS 90 Ca -0.02 0.60 -0.12 0.00 -1.00 0.00 0.00 55.97 55.44 2gbs s LYS 90 Cb 0.00 0.27 0.07 0.00 -2.06 0.00 0.00 37.83 36.11 2gbs s LYS 90 CO 0.02 -0.07 1.16 -2.14 0.10 0.00 0.00 175.35 174.42 2gbs s PRO 91 N 0.15 2.05 0.30 1.78 0.02 -1.26 -0.43 135.00 137.61 2gbs s PRO 91 Ca -0.01 0.11 -0.05 0.00 0.02 0.00 0.00 61.00 61.07 2gbs s PRO 91 Cb -0.03 -1.97 -0.05 0.00 0.02 0.00 0.00 34.50 32.46 2gbs s PRO 91 CO 0.01 -1.52 0.57 -0.51 -0.33 0.00 0.00 177.00 175.21 2gbs s LEU 92 N -5.53 4.04 0.03 -5.54 1.43 0.24 -4.82 118.68 108.53 2gbs s LEU 92 Ca 0.62 0.73 -0.26 0.00 -1.03 0.00 0.00 54.13 54.18 2gbs s LEU 92 Cb -0.11 -3.55 -0.17 0.00 0.03 0.00 0.00 46.19 42.39 2gbs s LEU 92 CO 0.49 -0.21 1.40 0.50 0.23 0.00 0.00 176.35 178.75 2gbs h LYS 93 N 1.62 -0.37 -4.23 1.70 1.63 -1.80 -3.41 116.57 111.72 2gbs h LYS 93 Ca -0.48 0.03 -0.60 0.00 -0.85 0.00 0.00 60.65 58.75 2gbs h LYS 93 Cb 1.19 0.08 -0.38 0.00 -0.60 0.00 0.00 32.23 32.52 2gbs h LYS 93 CO 0.66 -0.10 -0.78 0.99 -3.45 0.00 0.00 179.45 176.77 2gbs s THR 94 N -5.14 1.37 0.31 1.00 2.01 0.64 -5.03 115.64 110.80 2gbs s THR 94 Ca -0.15 -1.13 -0.28 0.00 0.31 0.00 0.00 61.69 60.44 2gbs s THR 94 Cb 0.03 -1.68 -0.13 0.00 0.01 0.00 0.00 72.50 70.73 2gbs s THR 94 CO 0.59 -0.13 1.17 -2.65 -0.69 0.00 0.00 174.62 172.91 2gbs n PRO 95 N 4.73 1.74 -3.35 4.92 -0.02 -1.26 -4.39 135.00 137.36 2gbs n PRO 95 Ca -0.11 0.61 -0.42 0.00 -2.02 0.00 0.00 63.50 61.55 2gbs n PRO 95 Cb 0.44 -2.10 -0.09 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.98 5.12 0.81 -1.45 1.01 -0.76 -4.84 120.40 119.31 2gbs s VAL 96 Ca 0.58 -0.27 -0.12 0.00 0.00 0.00 0.00 61.98 62.17 2gbs s VAL 96 Cb -0.64 -3.97 0.08 0.00 0.00 0.00 0.00 36.38 31.84 2gbs s VAL 96 CO 0.60 -0.33 1.12 0.42 0.00 0.00 0.00 175.10 176.92 2gbs s THR 97 N 2.06 2.69 0.22 3.92 -4.23 -1.26 -0.21 115.64 118.84 2gbs s THR 97 Ca 0.11 0.22 -0.09 0.00 -1.18 0.00 0.00 61.69 60.76 2gbs s THR 97 Cb -0.17 -3.07 0.19 0.00 1.34 0.00 0.00 72.50 70.79 2gbs s THR 97 CO 0.13 -0.29 1.90 0.25 -0.54 0.00 0.00 174.62 176.06 2gbs h LEU 98 N -1.09 0.96 -1.85 4.79 5.85 -0.72 0.59 115.31 123.83 2gbs h LEU 98 Ca -0.47 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 2gbs h LEU 98 Cb 1.29 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 2gbs h LEU 98 CO 0.62 0.69 -0.13 0.00 -0.34 0.00 0.00 178.44 179.28 2gbs h ALA 99 N 1.31 1.32 0.19 1.25 0.00 -1.93 -1.35 119.26 120.04 2gbs h ALA 99 Ca 0.31 -0.12 -0.31 0.00 0.00 0.00 0.00 54.91 54.78 2gbs h ALA 99 Cb -0.13 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.67 2gbs h ALA 99 CO -0.07 0.17 -1.34 0.00 0.00 0.00 0.00 179.25 178.01 2gbs h ALA 100 N 1.87 -0.09 -0.55 0.00 0.00 -1.51 -3.20 119.26 115.78 2gbs h ALA 100 Ca -0.00 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.08 2gbs h ALA 100 Cb 0.35 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2gbs h ALA 100 CO 0.02 0.67 0.28 0.28 0.00 0.00 0.00 179.25 180.49 2gbs h VAL 101 N 0.18 1.18 0.00 0.00 2.07 -0.46 -0.51 116.25 118.70 2gbs h VAL 101 Ca -0.22 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 66.82 2gbs h VAL 101 Cb 2.03 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 2gbs h VAL 101 CO 0.25 0.20 0.00 0.29 0.02 0.00 0.00 177.57 178.34 2gbs n LYS 102 N -4.38 0.64 0.09 1.57 5.02 -0.55 -2.41 118.16 118.14 2gbs n LYS 102 Ca 0.05 0.01 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 2gbs n LYS 102 Cb 0.12 -1.50 0.11 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 3.33 0.59 -3.71 7.82 0.00 -1.08 -3.43 119.26 122.79 2gbs h ALA 103 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2gbs h ALA 103 Cb 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.43 2gbs h ALA 103 CO 0.00 0.00 -0.76 -2.00 0.00 0.00 0.00 179.25 176.49 2gbs s GLU 104 N -3.25 1.71 0.61 0.00 2.56 -1.01 -4.98 118.70 114.34 2gbs s GLU 104 Ca 0.04 -1.53 0.32 0.00 0.00 0.00 0.00 54.97 53.80 2gbs s GLU 104 Cb 0.11 -2.94 1.83 0.00 2.00 0.00 0.00 34.13 35.13 2gbs s GLU 104 CO 0.74 -0.77 2.16 -1.00 -0.56 0.00 0.00 175.26 175.83 2gbs h PRO 105 N 7.74 0.00 0.00 4.30 0.13 -1.84 0.60 132.00 142.93 2gbs h PRO 105 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2gbs h PRO 105 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2gbs h PRO 105 CO 0.48 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.25 2gbs h ARG 106 N 0.00 0.00 -0.10 0.86 3.08 -1.93 -1.47 114.38 114.82 2gbs h ARG 106 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 2gbs h ARG 106 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2gbs h ARG 106 CO -0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 2gbs n LEU 107 N -2.90 2.85 0.06 3.04 4.77 0.19 -4.32 117.00 120.69 2gbs n LEU 107 Ca 0.01 -1.12 0.11 0.00 -0.03 0.00 0.00 56.01 54.97 2gbs n LEU 107 Cb 0.27 -0.05 0.45 0.00 -2.33 0.00 0.00 43.42 41.76 2gbs n LEU 107 CO 0.25 0.52 0.85 0.00 -1.33 0.00 0.00 177.39 177.68 2gbs n ALA 108 N 1.19 1.95 0.61 -1.18 0.00 -0.55 -2.16 120.51 120.36 2gbs n ALA 108 Ca 0.13 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.68 2gbs n ALA 108 Cb 0.53 -1.38 0.16 0.00 0.00 0.00 0.00 19.45 18.76 2gbs n ALA 108 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2gbs n ASP 109 N -1.89 0.67 -4.76 0.00 2.03 -1.26 -4.65 116.55 106.69 2gbs n ASP 109 Ca 0.04 0.05 -0.38 0.00 0.52 0.00 0.00 54.79 55.02 2gbs n ASP 109 Cb 0.28 0.24 0.01 0.00 -0.72 0.00 0.00 41.12 40.94 2gbs n ASP 109 CO 0.00 0.00 0.00 -0.32 -1.92 0.00 0.00 177.20 174.96 2gbs s MET 110 N -3.16 3.55 0.61 -0.67 1.75 -0.92 -4.82 119.30 115.64 2gbs s MET 110 Ca 0.06 2.11 0.29 0.00 -1.25 0.00 0.00 55.69 56.90 2gbs s MET 110 Cb 0.14 -2.45 1.59 0.00 2.84 0.00 0.00 34.83 36.95 2gbs s MET 110 CO 0.73 -0.82 1.98 0.00 -0.65 0.00 0.00 175.02 176.26 2gbs h ALA 111 N 1.98 1.86 -0.05 4.11 0.00 -1.89 0.14 119.26 125.41 2gbs h ALA 111 Ca -0.50 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.35 2gbs h ALA 111 Cb 1.27 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 2gbs h ALA 111 CO 0.60 -0.48 -0.19 1.25 0.00 0.00 0.00 179.25 180.42 2gbs h LEU 112 N 0.00 0.07 0.00 0.00 5.85 -1.89 0.37 115.31 119.71 2gbs h LEU 112 Ca 0.12 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2gbs h LEU 112 Cb 0.82 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2gbs h LEU 112 CO -0.00 0.27 -0.90 0.23 -0.34 0.00 0.00 178.44 177.69 2gbs n MET 113 N -4.28 0.39 -0.10 1.25 2.81 0.45 -4.31 117.12 113.32 2gbs n MET 113 Ca -0.02 0.06 -0.19 0.00 -1.81 0.00 0.00 57.70 55.74 2gbs n MET 113 Cb 0.27 -1.69 -0.09 0.00 -0.71 0.00 0.00 33.22 31.01 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 -2.22 0.54 -3.75 0.03 5.02 -0.82 -4.91 118.16 112.05 2gbs n LYS 114 Ca 0.02 0.53 -0.38 0.00 -2.02 0.00 0.00 58.31 56.46 2gbs n LYS 114 Cb 0.47 -1.71 -0.12 0.00 -0.02 0.00 0.00 35.03 33.65 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 -2.36 3.19 -0.36 2.13 2.02 0.12 -4.90 117.35 117.19 2gbs s TYR 115 Ca -0.27 -1.14 0.23 0.00 -0.37 0.00 0.00 57.07 55.53 2gbs s TYR 115 Cb 0.06 -2.27 0.15 0.00 -0.40 0.00 0.00 41.96 39.50 2gbs s TYR 115 CO 0.50 -0.63 1.23 0.77 -1.57 0.00 0.00 175.55 175.84 2gbs h SER 116 N 8.24 0.00 -0.27 2.29 0.02 -1.84 -3.37 113.55 118.62 2gbs h SER 116 Ca -0.28 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2gbs h SER 116 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2gbs h SER 116 CO 0.61 0.02 0.00 0.54 -1.14 0.00 0.00 176.83 176.85 2gbs n ARG 117 N -2.66 2.89 -3.78 3.45 1.74 -1.26 -4.86 116.66 112.18 2gbs n ARG 117 Ca 0.02 -2.71 -0.37 0.00 -0.77 0.00 0.00 57.85 54.02 2gbs n ARG 117 Cb 0.52 -1.75 -0.12 0.00 -1.02 0.00 0.00 32.46 30.10 2gbs n ARG 117 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2gbs s LEU 118 N -2.54 4.90 0.24 0.55 2.96 -1.26 -4.96 118.68 118.57 2gbs s LEU 118 Ca 0.39 -1.74 -0.04 0.00 -0.22 0.00 0.00 54.13 52.51 2gbs s LEU 118 Cb 0.31 -1.83 0.27 0.00 0.50 0.00 0.00 46.19 45.43 2gbs s LEU 118 CO 0.10 -0.47 1.77 -1.28 -1.32 0.00 0.00 176.35 175.14 2gbs h SER 119 N 8.10 0.91 -3.56 3.68 0.87 -1.91 -3.38 113.55 118.26 2gbs h SER 119 Ca -0.17 -0.18 -0.69 0.00 -1.23 0.00 0.00 61.79 59.52 2gbs h SER 119 Cb 1.06 -0.24 -0.35 0.00 -0.44 0.00 0.00 62.40 62.43 2gbs h SER 119 CO 0.67 0.89 -0.60 -0.69 -0.53 0.00 0.00 176.83 176.57 2gbs s VAL 120 N -5.22 3.11 0.08 2.23 1.01 -1.26 -1.95 120.40 118.40 2gbs s VAL 120 Ca -0.11 -1.96 0.01 0.00 0.00 0.00 0.00 61.98 59.92 2gbs s VAL 120 Cb 0.15 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 2gbs s VAL 120 CO 0.82 -0.57 0.19 -1.10 0.00 0.00 0.00 175.10 174.44 2gbs s GLN 121 N 1.13 3.29 0.07 2.72 -0.21 0.58 -4.84 119.66 122.41 2gbs s GLN 121 Ca 0.06 -0.54 -0.14 0.00 0.02 0.00 0.00 55.36 54.77 2gbs s GLN 121 Cb -0.22 -2.94 -0.06 0.00 1.00 0.00 0.00 33.01 30.79 2gbs s GLN 121 CO -0.04 0.58 0.46 -1.25 -2.12 0.00 0.00 175.29 172.92 2gbs s PRO 122 N -2.61 3.92 -0.01 2.91 0.04 -1.26 -0.42 135.00 137.56 2gbs s PRO 122 Ca 0.33 0.40 0.02 0.00 0.04 0.00 0.00 61.00 61.79 2gbs s PRO 122 Cb -0.12 -3.08 -0.00 0.00 0.04 0.00 0.00 34.50 31.33 2gbs s PRO 122 CO 0.27 0.59 -0.08 0.08 0.04 0.00 0.00 177.00 177.90 2gbs s VAL 123 N -1.28 0.62 0.65 -0.36 1.01 0.87 -4.30 120.40 117.61 2gbs s VAL 123 Ca 0.31 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 2gbs s VAL 123 Cb -0.16 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.74 2gbs s VAL 123 CO 0.17 0.19 0.93 0.42 0.00 0.00 0.00 175.10 176.81 2gbs s THR 124 N -0.03 2.41 0.19 3.92 -4.23 -1.26 -3.23 115.64 113.40 2gbs s THR 124 Ca 0.01 -0.41 -0.12 0.00 -1.18 0.00 0.00 61.69 59.99 2gbs s THR 124 Cb -0.05 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.89 2gbs s THR 124 CO -0.00 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.92 2gbs h ALA 125 N -0.37 0.78 -0.06 3.99 0.00 -1.98 0.11 119.26 121.74 2gbs h ALA 125 Ca -0.44 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2gbs h ALA 125 Cb 1.31 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2gbs h ALA 125 CO 0.57 0.16 0.02 1.49 0.00 0.00 0.00 179.25 181.49 2gbs h GLU 126 N 0.78 0.09 -0.21 0.00 4.57 -1.98 0.11 114.58 117.92 2gbs h GLU 126 Ca 0.23 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.42 2gbs h GLU 126 Cb -0.03 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 2gbs h GLU 126 CO -0.08 0.27 0.06 0.93 -1.18 0.00 0.00 179.01 179.01 2gbs h GLU 127 N -0.11 0.15 0.19 1.92 5.08 -1.90 -0.36 114.58 119.55 2gbs h GLU 127 Ca 0.02 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2gbs h GLU 127 Cb 0.22 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 2gbs h GLU 127 CO -0.00 0.10 -0.31 2.35 -1.00 0.00 0.00 179.01 180.15 2gbs h TRP 128 N 0.16 -0.83 -0.38 4.33 2.91 -0.61 -1.93 115.95 119.60 2gbs h TRP 128 Ca 0.09 0.01 -0.06 0.00 1.13 0.00 0.00 58.89 60.07 2gbs h TRP 128 Cb 0.07 0.34 -0.02 0.00 -0.51 0.00 0.00 29.16 29.04 2gbs h TRP 128 CO -0.13 -0.42 -0.00 0.87 -1.03 0.00 0.00 178.44 177.73 2gbs h LYS 129 N -0.57 0.61 -0.29 2.65 1.57 -0.61 -1.63 116.57 118.30 2gbs h LYS 129 Ca 0.01 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.60 2gbs h LYS 129 Cb 0.57 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 2gbs h LYS 129 CO -0.14 0.63 -0.04 1.25 -0.57 0.00 0.00 179.45 180.58 2gbs h LEU 130 N 0.58 0.54 -0.77 2.94 5.85 -0.86 -0.81 115.31 122.78 2gbs h LEU 130 Ca 0.12 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 2gbs h LEU 130 Cb 0.37 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 2gbs h LEU 130 CO 0.01 0.76 0.29 0.58 -0.34 0.00 0.00 178.44 179.74 2gbs h VAL 131 N 0.31 1.26 0.12 1.05 2.07 -1.08 0.13 116.25 120.11 2gbs h VAL 131 Ca 0.08 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 2gbs h VAL 131 Cb 0.51 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2gbs h VAL 131 CO 0.02 0.34 -0.06 0.00 0.02 0.00 0.00 177.57 177.90 2gbs h LYS 133 N -0.20 0.00 -0.04 0.00 2.10 -0.99 -1.91 116.57 115.53 2gbs h LYS 133 Ca -0.02 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.54 2gbs h LYS 133 Cb 0.16 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.48 2gbs h LYS 133 CO 0.03 0.33 -0.40 1.98 -2.00 0.00 0.00 179.45 179.39 2gbs h MET 134 N 0.00 0.09 -0.19 0.07 4.05 -0.37 -2.00 114.93 116.57 2gbs h MET 134 Ca -0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2gbs h MET 134 Cb 0.69 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.49 2gbs h MET 134 CO 0.04 0.48 0.00 0.41 0.23 0.00 0.00 176.91 178.07 2gbs n GLY 135 N -0.32 -0.04 2.07 1.39 0.00 -0.43 -4.88 105.19 102.97 2gbs n GLY 135 Ca -0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 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 0.87 0.23 0.13 -0.02 0.00 -0.75 -0.26 105.19 105.38 2gbs n GLY 136 Ca 0.09 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.52 2gbs n GLY 136 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2gbs h LEU 137 N -0.02 0.00 -7.96 0.99 5.85 -1.55 -3.40 115.31 109.22 2gbs h LEU 137 Ca -0.09 0.00 -0.65 0.00 0.84 0.00 0.00 57.88 57.98 2gbs h LEU 137 Cb 1.07 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.00 2gbs h LEU 137 CO 0.11 0.00 1.84 -0.76 -0.34 0.00 0.00 178.44 179.29 2gbs s LEU 138 N -4.75 3.78 -1.28 2.25 1.43 -1.26 -4.90 118.68 113.95 2gbs s LEU 138 Ca 0.09 -2.04 -0.17 0.00 -1.03 0.00 0.00 54.13 50.98 2gbs s LEU 138 Cb 0.11 -2.56 0.10 0.00 0.03 0.00 0.00 46.19 43.86 2gbs s LEU 138 CO 0.56 -1.29 1.69 -1.84 0.23 0.00 0.00 176.35 175.70 2gbs n GLU 139 N 8.44 3.23 0.00 1.70 0.28 -1.26 -4.41 120.64 128.62 2gbs n GLU 139 Ca 0.41 -3.40 0.00 0.00 -0.16 0.00 0.00 57.16 54.01 2gbs n GLU 139 Cb 0.48 -3.37 0.00 0.00 1.43 0.00 0.00 31.44 29.98 2gbs n GLU 139 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2gbs n HIS 140 N 7.55 0.00 -1.28 -1.84 -0.00 -1.26 -4.74 115.22 113.65 2gbs n HIS 140 Ca 0.46 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 58.21 2gbs n HIS 140 Cb 0.45 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.99 30.13 2gbs n HIS 140 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2gbs n HIS 141 N -1.79 -3.49 -3.08 1.57 1.44 -1.26 -5.01 115.22 103.61 2gbs n HIS 141 Ca 0.00 1.90 -0.18 0.00 -2.01 0.00 0.00 57.72 57.42 2gbs n HIS 141 Cb 0.00 -3.05 0.01 0.00 0.12 0.00 0.00 29.99 27.07 2gbs n HIS 141 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2gbs s HIS 142 N -4.98 2.91 -0.15 -1.40 3.76 -1.26 -5.05 115.29 109.12 2gbs s HIS 142 Ca 0.00 -0.27 -0.09 0.00 -0.15 0.00 0.00 55.06 54.54 2gbs s HIS 142 Cb 0.00 -2.33 -0.07 0.00 1.11 0.00 0.00 32.58 31.29 2gbs s HIS 142 CO 0.00 -0.37 -0.22 0.72 -0.85 0.00 0.00 174.74 174.01 2gbs n HIS 143 N -1.87 0.00 0.00 1.40 8.25 -1.26 -5.06 115.22 116.67 2gbs n HIS 143 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 2gbs n HIS 143 Cb 0.59 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 31.14 2gbs n HIS 143 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2gbs n HIS 144 N -3.84 0.00 -0.42 4.41 -0.00 -1.26 -5.37 115.22 108.75 2gbs n HIS 144 Ca -0.29 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.89 2gbs n HIS 144 Cb 0.66 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.53 2gbs n HIS 144 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38