#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 2.49 -0.10 3.52 0.00 -1.26 -4.97 121.76 121.43 2gbs s ALA 2 Ca 0.00 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.11 2gbs s ALA 2 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2gbs s ALA 2 CO 0.00 0.11 -0.13 0.71 0.00 0.00 0.00 175.76 176.46 2gbs s TYR 3 N -2.76 2.79 0.11 0.00 2.02 -1.25 -0.47 117.35 117.78 2gbs s TYR 3 Ca 0.28 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.55 2gbs s TYR 3 Cb -0.01 -1.78 -0.01 0.00 -0.40 0.00 0.00 41.96 39.77 2gbs s TYR 3 CO 0.12 -0.05 0.05 0.91 -1.57 0.00 0.00 175.55 175.01 2gbs n TRP 4 N 3.08 -0.03 -3.70 2.71 7.02 0.05 -0.62 117.44 125.96 2gbs n TRP 4 Ca -0.18 -0.74 -0.13 0.00 -1.02 0.00 0.00 57.50 55.43 2gbs n TRP 4 Cb 0.53 0.02 -0.09 0.00 -2.42 0.00 0.00 31.31 29.34 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 0.00 0.02 -0.99 0.20 0.05 -0.66 118.68 117.30 2gbs s LEU 5 Ca 0.07 1.04 0.06 0.00 0.69 0.00 0.00 54.13 55.99 2gbs s LEU 5 Cb 0.00 1.76 -0.02 0.00 -0.43 0.00 0.00 46.19 47.51 2gbs s LEU 5 CO 0.05 -0.18 -0.18 0.68 -0.29 0.00 0.00 176.35 176.43 2gbs s VAL 6 N 0.36 1.42 -0.18 1.68 -7.23 -0.59 -1.30 120.40 114.55 2gbs s VAL 6 Ca -0.01 -0.97 -0.01 0.00 -1.81 0.00 0.00 61.98 59.18 2gbs s VAL 6 Cb -0.04 -1.23 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 2gbs s VAL 6 CO -0.00 0.23 -0.11 -0.54 -0.31 0.00 0.00 175.10 174.37 2gbs s LYS 7 N -0.86 3.28 0.04 4.82 1.02 -1.23 -1.48 119.74 125.33 2gbs s LYS 7 Ca 0.06 -0.70 0.05 0.00 0.02 0.00 0.00 55.97 55.40 2gbs s LYS 7 Cb -0.08 -2.79 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2gbs s LYS 7 CO 0.01 -0.08 -0.14 -1.54 -0.92 0.00 0.00 175.35 172.67 2gbs s SER 8 N 1.11 1.67 0.07 2.83 1.04 0.41 -4.82 113.70 116.00 2gbs s SER 8 Ca 0.01 -0.48 -0.27 0.00 0.48 0.00 0.00 55.95 55.68 2gbs s SER 8 Cb -0.14 -0.10 -0.05 0.00 0.10 0.00 0.00 66.02 65.82 2gbs s SER 8 CO -0.03 0.02 0.86 -1.61 0.98 0.00 0.00 173.24 173.46 2gbs s GLU 9 N -1.24 4.59 0.59 4.02 2.02 -1.26 -0.54 118.70 126.87 2gbs s GLU 9 Ca 0.01 1.25 0.38 0.00 0.02 0.00 0.00 54.97 56.63 2gbs s GLU 9 Cb -0.08 -3.38 1.84 0.00 0.10 0.00 0.00 34.13 32.61 2gbs s GLU 9 CO 0.01 0.23 2.14 -1.00 0.02 0.00 0.00 175.26 176.67 2gbs h PRO 10 N 5.70 0.00 0.00 0.39 0.13 -1.75 0.26 132.00 136.74 2gbs h PRO 10 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 2gbs h PRO 10 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2gbs h PRO 10 CO 0.72 0.00 -0.19 0.77 -0.23 0.00 0.00 178.00 179.07 2gbs h SER 11 N 0.00 0.00 0.00 1.44 0.02 -1.92 -3.37 113.55 109.73 2gbs h SER 11 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2gbs h SER 11 Cb 0.25 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 2gbs h SER 11 CO 0.00 0.19 -1.20 0.52 -1.14 0.00 0.00 176.83 175.20 2gbs n VAL 12 N -3.19 1.49 -4.02 2.27 0.31 -0.08 -4.97 118.33 110.14 2gbs n VAL 12 Ca 0.02 0.05 -0.24 0.00 -0.01 0.00 0.00 64.34 64.16 2gbs n VAL 12 Cb 0.54 -2.25 -0.17 0.00 -0.91 0.00 0.00 33.84 31.05 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 -2.66 1.09 0.55 3.52 -0.11 0.73 -5.04 118.94 117.01 2gbs s TRP 13 Ca -0.28 -0.43 0.00 0.00 1.22 0.00 0.00 56.10 56.61 2gbs s TRP 13 Cb 0.06 -0.96 0.03 0.00 -1.50 0.00 0.00 33.47 31.09 2gbs s TRP 13 CO 0.41 -0.36 0.78 -1.54 -4.62 0.00 0.00 176.95 171.62 2gbs s SER 14 N 1.45 5.34 0.09 5.86 1.04 -1.26 -3.81 113.70 122.41 2gbs s SER 14 Ca -0.01 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.39 2gbs s SER 14 Cb -0.13 -1.04 -0.19 0.00 0.10 0.00 0.00 66.02 64.76 2gbs s SER 14 CO -0.04 -1.10 1.25 -0.25 0.98 0.00 0.00 173.24 174.08 2gbs h TRP 15 N 0.06 1.06 -0.69 5.02 2.91 -1.97 -3.22 115.95 119.12 2gbs h TRP 15 Ca -0.43 -0.52 0.00 0.00 1.13 0.00 0.00 58.89 59.07 2gbs h TRP 15 Cb 1.29 -0.14 -0.03 0.00 -0.51 0.00 0.00 29.16 29.76 2gbs h TRP 15 CO 0.39 1.35 0.45 -0.44 -1.03 0.00 0.00 178.44 179.16 2gbs h ASP 16 N 0.47 0.80 -0.94 2.65 3.32 -1.98 -1.67 116.42 119.06 2gbs h ASP 16 Ca -0.09 -0.03 0.04 0.00 0.02 0.00 0.00 57.03 56.97 2gbs h ASP 16 Cb 1.55 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 40.85 2gbs h ASP 16 CO 0.18 0.59 0.62 -0.61 -1.72 0.00 0.00 179.24 178.30 2gbs h GLN 17 N 0.94 1.15 0.00 3.56 5.75 -1.96 0.72 115.11 125.27 2gbs h GLN 17 Ca 0.25 -0.07 -0.20 0.00 -0.15 0.00 0.00 58.65 58.48 2gbs h GLN 17 Cb -0.09 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.17 2gbs h GLN 17 CO -0.05 0.76 -0.98 0.37 -2.65 0.00 0.00 178.83 176.28 2gbs h GLN 18 N 1.18 0.00 -0.33 1.69 -0.00 -1.48 -3.13 115.11 113.05 2gbs h GLN 18 Ca 0.37 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.93 2gbs h GLN 18 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 27.48 27.48 2gbs h GLN 18 CO -0.11 0.96 -0.18 0.28 0.00 0.00 0.00 178.83 179.78 2gbs h VAL 19 N 0.00 1.26 0.00 2.39 2.07 -0.40 0.65 116.25 122.22 2gbs h VAL 19 Ca -0.01 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2gbs h VAL 19 Cb 1.75 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2gbs h VAL 19 CO 0.13 0.39 0.00 0.00 0.02 0.00 0.00 177.57 178.11 2gbs h ALA 20 N 1.27 1.00 -0.20 1.67 0.00 -0.87 -1.50 119.26 120.63 2gbs h ALA 20 Ca 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2gbs h ALA 20 Cb 0.61 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2gbs h ALA 20 CO 0.04 0.00 -0.07 1.63 0.00 0.00 0.00 179.25 180.86 2gbs n LYS 21 N -2.94 2.10 0.29 0.00 5.02 -0.42 -4.75 118.16 117.46 2gbs n LYS 21 Ca -0.00 -2.92 0.17 0.00 -2.02 0.00 0.00 58.31 53.53 2gbs n LYS 21 Cb 0.21 -1.74 0.90 0.00 -0.02 0.00 0.00 35.03 34.39 2gbs n LYS 21 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2gbs h GLY 22 N 1.07 0.00 0.80 0.72 0.00 0.18 0.45 103.07 106.29 2gbs h GLY 22 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 2gbs h GLY 22 CO 0.20 0.00 -1.39 0.00 0.00 0.00 0.00 176.54 175.35 2gbs n ALA 23 N -2.20 2.24 -0.13 3.60 0.00 -1.26 -4.52 120.51 118.25 2gbs n ALA 23 Ca -0.02 -0.47 -0.21 0.00 0.00 0.00 0.00 53.44 52.75 2gbs n ALA 23 Cb 0.17 -0.94 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 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 -2.32 1.36 0.00 0.00 0.00 -0.51 -5.12 120.51 113.92 2gbs n ALA 24 Ca -0.07 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2gbs n ALA 24 Cb 0.71 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.08 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 2.04 1.07 3.17 0.00 0.00 0.15 -4.99 105.19 106.62 2gbs n GLY 25 Ca -0.47 -1.83 -0.22 0.00 0.00 0.00 0.00 46.02 43.50 2gbs n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gbs s GLU 26 N -2.70 1.06 -0.35 1.61 2.56 0.74 -4.93 118.70 116.69 2gbs s GLU 26 Ca 0.00 -0.81 -0.22 0.00 0.00 0.00 0.00 54.97 53.94 2gbs s GLU 26 Cb 0.00 -1.10 0.01 0.00 2.00 0.00 0.00 34.13 35.03 2gbs s GLU 26 CO 0.00 0.28 0.72 0.00 -0.56 0.00 0.00 175.26 175.70 2gbs s ALA 27 N -0.83 3.45 -1.35 6.30 0.00 -1.26 -0.71 121.76 127.36 2gbs s ALA 27 Ca 0.03 -0.72 -0.17 0.00 0.00 0.00 0.00 51.96 51.11 2gbs s ALA 27 Cb -0.08 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.82 2gbs s ALA 27 CO 0.01 -1.40 1.90 1.87 0.00 0.00 0.00 175.76 178.15 2gbs n TRP 28 N 6.24 4.30 -4.29 0.00 -0.00 0.11 -4.93 117.44 118.88 2gbs n TRP 28 Ca 0.01 -2.89 -0.24 0.00 -0.00 0.00 0.00 57.50 54.38 2gbs n TRP 28 Cb 0.48 -2.61 -0.08 0.00 -0.00 0.00 0.00 31.31 29.10 2gbs n TRP 28 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2gbs s THR 29 N 3.88 3.40 0.00 5.87 -1.32 -1.26 -3.59 115.64 122.61 2gbs s THR 29 Ca 0.52 -1.80 0.00 0.00 -1.21 0.00 0.00 61.69 59.20 2gbs s THR 29 Cb 0.07 -2.77 0.00 0.00 -1.51 0.00 0.00 72.50 68.29 2gbs s THR 29 CO 0.02 -0.27 0.00 0.61 -2.21 0.00 0.00 174.62 172.77 2gbs n GLY 30 N -0.55 0.97 3.60 6.08 0.00 -1.26 -5.02 105.19 109.00 2gbs n GLY 30 Ca -0.08 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.62 4.31 -0.62 1.61 -7.23 -1.26 -4.87 120.40 109.73 2gbs s VAL 31 Ca 0.00 1.16 0.25 0.00 -1.81 0.00 0.00 61.98 61.58 2gbs s VAL 31 Cb 0.00 -4.54 0.23 0.00 0.56 0.00 0.00 36.38 32.63 2gbs s VAL 31 CO 0.00 -0.90 1.59 0.08 -0.31 0.00 0.00 175.10 175.57 2gbs h ARG 32 N 9.05 0.00 -5.92 4.82 0.11 -2.02 -3.44 114.38 116.99 2gbs h ARG 32 Ca -0.23 0.00 -0.60 0.00 0.10 0.00 0.00 59.98 59.25 2gbs h ARG 32 Cb 1.06 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.05 2gbs h ARG 32 CO 1.09 0.00 0.51 -0.80 0.10 0.00 0.00 179.97 180.87 2gbs s ASN 33 N -4.87 6.70 0.44 0.08 0.02 -1.26 -4.91 114.94 111.14 2gbs s ASN 33 Ca 0.08 0.69 0.16 0.00 -1.02 0.00 0.00 52.86 52.76 2gbs s ASN 33 Cb 0.11 -2.44 0.99 0.00 0.02 0.00 0.00 41.25 39.93 2gbs s ASN 33 CO 0.65 -0.71 1.96 -0.74 0.02 0.00 0.00 177.10 178.28 2gbs h HIS 34 N 8.20 0.00 -0.46 2.20 -0.00 -2.00 -1.77 115.15 121.32 2gbs h HIS 34 Ca -0.23 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.04 2gbs h HIS 34 Cb 1.09 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.48 2gbs h HIS 34 CO 0.80 0.22 -0.11 0.66 -0.00 0.00 0.00 177.93 179.50 2gbs h SER 35 N 0.00 0.82 -0.09 3.26 4.64 -1.98 -1.21 113.55 119.00 2gbs h SER 35 Ca -0.00 -0.25 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 2gbs h SER 35 Cb 0.41 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2gbs h SER 35 CO 0.03 0.95 0.05 0.00 -0.87 0.00 0.00 176.83 176.99 2gbs h ALA 36 N 1.12 0.12 -0.62 5.18 0.00 -1.61 -2.07 119.26 121.38 2gbs h ALA 36 Ca 0.13 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.06 2gbs h ALA 36 Cb 0.61 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 2gbs h ALA 36 CO 0.04 -0.36 0.32 -0.22 0.00 0.00 0.00 179.25 179.03 2gbs h LYS 37 N 0.08 0.57 -0.38 0.00 3.64 -1.27 0.98 116.57 120.18 2gbs h LYS 37 Ca 0.03 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2gbs h LYS 37 Cb 0.05 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.72 2gbs h LYS 37 CO -0.01 0.38 0.26 1.25 -2.27 0.00 0.00 179.45 179.06 2gbs h LEU 38 N 0.59 0.23 0.07 5.20 6.46 -0.84 0.23 115.31 127.24 2gbs h LEU 38 Ca 0.28 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.77 2gbs h LEU 38 Cb 0.21 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 2gbs h LEU 38 CO -0.20 0.15 -1.40 0.45 -0.62 0.00 0.00 178.44 176.82 2gbs h HIS 39 N 0.26 0.26 0.00 1.25 3.86 -0.59 -3.32 115.15 116.87 2gbs h HIS 39 Ca 0.17 -0.19 -0.10 0.00 -1.16 0.00 0.00 60.37 59.09 2gbs h HIS 39 Cb 0.33 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2gbs h HIS 39 CO -0.00 1.21 -0.46 0.52 0.86 0.00 0.00 177.93 180.06 2gbs h MET 40 N 0.04 0.00 0.00 2.45 2.86 0.67 -2.39 114.93 118.56 2gbs h MET 40 Ca -0.18 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 2gbs h MET 40 Cb 1.95 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.60 2gbs h MET 40 CO 0.14 0.46 -0.30 0.28 1.06 0.00 0.00 176.91 178.55 2gbs h VAL 41 N 0.00 0.89 -0.00 -2.22 2.07 -0.73 -2.65 116.25 113.61 2gbs h VAL 41 Ca -0.00 -1.17 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2gbs h VAL 41 Cb 1.05 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.51 2gbs h VAL 41 CO 0.06 0.29 -0.39 0.00 0.02 0.00 0.00 177.57 177.55 2gbs n ALA 42 N -2.34 3.32 -2.41 1.67 0.00 -0.93 -4.84 120.51 114.98 2gbs n ALA 42 Ca -0.01 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.68 2gbs n ALA 42 Cb 0.40 -1.17 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 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 -2.90 4.31 0.20 0.00 -1.94 -1.00 -5.03 119.30 112.95 2gbs s MET 43 Ca 0.14 1.71 0.06 0.00 -1.71 0.00 0.00 55.69 55.89 2gbs s MET 43 Cb 0.18 -3.61 -0.04 0.00 2.01 0.00 0.00 34.83 33.37 2gbs s MET 43 CO 0.65 -0.53 0.17 0.50 -0.01 0.00 0.00 175.02 175.79 2gbs s ARG 44 N 2.56 2.93 0.04 2.03 3.52 -1.26 -4.50 118.95 124.27 2gbs s ARG 44 Ca 0.57 -0.94 -0.30 0.00 -0.13 0.00 0.00 55.73 54.93 2gbs s ARG 44 Cb -0.25 -2.62 -0.09 0.00 -1.56 0.00 0.00 34.95 30.43 2gbs s ARG 44 CO 0.21 0.45 1.92 0.50 -0.81 0.00 0.00 175.30 177.57 2gbs s ARG 45 N -3.43 4.15 0.00 5.12 3.52 -1.26 -1.32 118.95 125.72 2gbs s ARG 45 Ca 0.32 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.49 2gbs s ARG 45 Cb -0.09 -4.10 0.00 0.00 -1.56 0.00 0.00 34.95 29.20 2gbs s ARG 45 CO 0.24 -0.93 0.00 0.41 -0.81 0.00 0.00 175.30 174.21 2gbs n GLY 46 N 4.48 1.13 3.79 8.12 0.00 0.06 -4.74 105.19 118.03 2gbs n GLY 46 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.89 5.38 0.02 1.61 1.01 -0.44 -4.37 116.67 117.99 2gbs s ASP 47 Ca 0.00 1.89 0.04 0.00 0.71 0.00 0.00 52.55 55.19 2gbs s ASP 47 Cb 0.00 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2gbs s ASP 47 CO 0.00 -1.44 -0.11 -0.13 0.21 0.00 0.00 175.17 173.70 2gbs s ARG 48 N -4.18 0.83 0.20 8.23 0.52 0.38 -0.20 118.95 124.73 2gbs s ARG 48 Ca 0.65 -0.57 0.08 0.00 -0.52 0.00 0.00 55.73 55.37 2gbs s ARG 48 Cb -0.18 -0.79 -0.05 0.00 0.52 0.00 0.00 34.95 34.45 2gbs s ARG 48 CO 0.41 0.20 -0.15 0.00 0.02 0.00 0.00 175.30 175.79 2gbs s ALA 49 N -0.62 2.02 0.01 2.13 0.00 0.74 -0.77 121.76 125.27 2gbs s ALA 49 Ca 0.01 -1.66 -0.19 0.00 0.00 0.00 0.00 51.96 50.13 2gbs s ALA 49 Cb -0.06 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.91 2gbs s ALA 49 CO 0.00 0.07 0.54 -0.06 0.00 0.00 0.00 175.76 176.31 2gbs s PHE 50 N -2.95 3.71 -0.49 0.00 0.08 0.16 -1.20 117.98 117.30 2gbs s PHE 50 Ca 0.22 1.14 -0.21 0.00 0.12 0.00 0.00 56.93 58.20 2gbs s PHE 50 Cb -0.01 -2.50 0.04 0.00 -0.57 0.00 0.00 43.02 39.98 2gbs s PHE 50 CO 0.07 0.46 0.72 -0.47 -0.10 0.00 0.00 175.22 175.89 2gbs s TYR 51 N -0.54 2.99 -0.10 0.36 6.14 0.64 -1.54 117.35 125.30 2gbs s TYR 51 Ca 0.28 -0.18 0.02 0.00 0.64 0.00 0.00 57.07 57.83 2gbs s TYR 51 Cb -0.18 -3.60 -0.01 0.00 0.42 0.00 0.00 41.96 38.59 2gbs s TYR 51 CO 0.16 -1.04 -0.17 -0.47 0.64 0.00 0.00 175.55 174.67 2gbs s TYR 52 N 3.05 2.69 -0.22 4.97 5.04 -0.55 -1.65 117.35 130.68 2gbs s TYR 52 Ca 0.23 -0.65 -0.20 0.00 -2.44 0.00 0.00 57.07 54.00 2gbs s TYR 52 Cb -0.15 -1.75 -0.02 0.00 0.35 0.00 0.00 41.96 40.39 2gbs s TYR 52 CO 0.17 -0.18 0.62 -1.01 -1.34 0.00 0.00 175.55 173.80 2gbs s HIS 53 N 0.09 3.33 0.42 4.97 3.76 0.15 -0.45 115.29 127.57 2gbs s HIS 53 Ca -0.08 0.86 0.06 0.00 -0.15 0.00 0.00 55.06 55.75 2gbs s HIS 53 Cb -0.15 -2.80 0.01 0.00 1.11 0.00 0.00 32.58 30.74 2gbs s HIS 53 CO 0.05 -0.24 0.59 0.45 -0.85 0.00 0.00 174.74 174.74 2gbs s SER 54 N 1.32 5.68 0.00 1.40 0.15 0.30 -1.58 113.70 120.97 2gbs s SER 54 Ca 0.27 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2gbs s SER 54 Cb -0.16 -0.90 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 2gbs s SER 54 CO 0.09 -0.74 0.00 -3.20 1.20 0.00 0.00 173.24 170.59 2gbs n ASN 55 N -1.90 0.00 -4.86 5.45 5.15 -1.26 -4.24 115.26 113.60 2gbs n ASN 55 Ca 0.05 0.00 -0.37 0.00 -0.60 0.00 0.00 54.58 53.66 2gbs n ASN 55 Cb 0.59 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.78 2gbs n ASN 55 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2gbs s GLU 56 N 0.00 3.68 0.00 1.20 2.12 -1.26 -4.48 118.70 119.96 2gbs s GLU 56 Ca 0.00 0.15 0.00 0.00 0.36 0.00 0.00 54.97 55.48 2gbs s GLU 56 Cb 0.00 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.19 2gbs s GLU 56 CO 0.00 0.73 0.00 0.41 -0.54 0.00 0.00 175.26 175.86 2gbs n GLY 57 N 1.89 2.23 3.82 -1.50 0.00 -1.26 -4.55 105.19 105.82 2gbs n GLY 57 Ca -0.17 -0.39 -0.23 0.00 0.00 0.00 0.00 46.02 45.22 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 -4.27 -4.61 1.61 5.02 -0.62 -4.66 118.16 110.64 2gbs n LYS 58 Ca 0.00 0.53 -0.22 0.00 -2.02 0.00 0.00 58.31 56.60 2gbs n LYS 58 Cb 0.00 -4.93 -0.15 0.00 -0.02 0.00 0.00 35.03 29.93 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 -6.25 1.15 -0.38 1.97 -1.05 -1.03 0.67 118.70 113.79 2gbs s GLU 59 Ca 0.04 -0.60 -0.16 0.00 -0.15 0.00 0.00 54.97 54.09 2gbs s GLU 59 Cb -0.02 -1.13 0.00 0.00 -0.44 0.00 0.00 34.13 32.54 2gbs s GLU 59 CO 0.84 0.30 0.42 0.42 0.95 0.00 0.00 175.26 178.19 2gbs s ILE 60 N -0.48 5.11 0.00 1.83 1.01 0.17 0.32 121.20 129.16 2gbs s ILE 60 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.61 2gbs s ILE 60 Cb -0.06 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2gbs s ILE 60 CO -0.00 -0.26 0.14 1.33 0.00 0.00 0.00 174.94 176.16 2gbs n VAL 61 N 5.36 0.00 -3.94 2.92 0.24 -0.66 -0.97 118.33 121.28 2gbs n VAL 61 Ca -0.08 -0.43 -0.08 0.00 -2.04 0.00 0.00 64.34 61.71 2gbs n VAL 61 Cb 0.48 1.05 -0.04 0.00 -1.47 0.00 0.00 33.84 33.86 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 -0.57 0.29 -0.09 7.63 0.00 -1.23 -0.36 107.32 112.99 2gbs s GLY 62 Ca 0.00 -0.65 0.02 0.00 0.00 0.00 0.00 44.72 44.09 2gbs s GLY 62 CO 0.00 -0.42 -0.14 -0.42 0.00 0.00 0.00 173.10 172.11 2gbs s ILE 63 N -3.98 1.37 -0.03 0.90 1.01 -0.28 -0.26 121.20 119.95 2gbs s ILE 63 Ca 0.18 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.31 2gbs s ILE 63 Cb -0.03 -1.25 -0.02 0.00 0.01 0.00 0.00 42.46 41.17 2gbs s ILE 63 CO 0.08 0.41 -0.26 0.00 0.00 0.00 0.00 174.94 175.18 2gbs s ALA 64 N 0.83 2.13 -0.05 9.38 0.00 -0.34 0.04 121.76 133.75 2gbs s ALA 64 Ca -0.11 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 2gbs s ALA 64 Cb -0.15 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 2gbs s ALA 64 CO 0.01 0.50 0.04 -2.00 0.00 0.00 0.00 175.76 174.32 2gbs s GLU 65 N -0.53 3.03 -0.88 0.00 2.12 -0.51 -0.19 118.70 121.75 2gbs s GLU 65 Ca 0.08 -0.43 -0.25 0.00 0.36 0.00 0.00 54.97 54.73 2gbs s GLU 65 Cb -0.10 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.44 2gbs s GLU 65 CO -0.00 0.68 1.66 0.42 -0.54 0.00 0.00 175.26 177.48 2gbs s ILE 66 N -1.03 3.65 -1.89 -3.70 -1.09 0.72 -2.15 121.20 115.72 2gbs s ILE 66 Ca 0.17 -0.33 0.27 0.00 -2.23 0.00 0.00 60.65 58.54 2gbs s ILE 66 Cb -0.12 -4.51 0.38 0.00 -1.58 0.00 0.00 42.46 36.63 2gbs s ILE 66 CO 0.07 -1.44 1.67 2.30 -1.23 0.00 0.00 174.94 176.32 2gbs n ILE 67 N 7.21 0.00 -3.69 2.92 -5.35 0.01 -0.76 119.36 119.71 2gbs n ILE 67 Ca 0.30 -0.14 -0.10 0.00 -0.27 0.00 0.00 62.75 62.54 2gbs n ILE 67 Cb 0.49 0.30 -0.10 0.00 -1.74 0.00 0.00 39.64 38.59 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 -2.38 0.44 1.09 6.28 3.52 -1.18 -4.93 118.95 121.77 2gbs s ARG 68 Ca 0.28 0.87 -0.18 0.00 -0.13 0.00 0.00 55.73 56.58 2gbs s ARG 68 Cb 0.20 0.02 0.24 0.00 -1.56 0.00 0.00 34.95 33.85 2gbs s ARG 68 CO 0.47 -0.16 1.20 -1.21 -0.81 0.00 0.00 175.30 174.79 2gbs s GLU 69 N 1.50 -0.33 -0.15 5.12 2.02 -1.26 -2.44 118.70 123.15 2gbs s GLU 69 Ca -0.09 -0.21 -0.29 0.00 0.02 0.00 0.00 54.97 54.40 2gbs s GLU 69 Cb -0.08 -1.71 -0.05 0.00 0.10 0.00 0.00 34.13 32.39 2gbs s GLU 69 CO -0.14 -3.10 1.77 0.00 0.02 0.00 0.00 175.26 173.82 2gbs s ALA 70 N -3.40 3.30 0.06 5.21 0.00 -1.26 -4.54 121.76 121.13 2gbs s ALA 70 Ca 0.72 0.74 0.04 0.00 0.00 0.00 0.00 51.96 53.46 2gbs s ALA 70 Cb -0.07 -3.87 -0.03 0.00 0.00 0.00 0.00 23.12 19.15 2gbs s ALA 70 CO 0.55 -1.92 -0.13 1.52 0.00 0.00 0.00 175.76 175.78 2gbs s TYR 71 N 5.36 1.09 0.13 0.00 -0.85 -0.33 -4.87 117.35 117.87 2gbs s TYR 71 Ca 0.79 -0.46 -0.34 0.00 -0.52 0.00 0.00 57.07 56.54 2gbs s TYR 71 Cb -0.31 -0.62 -0.17 0.00 0.38 0.00 0.00 41.96 41.24 2gbs s TYR 71 CO 0.32 0.02 1.00 -2.30 -1.52 0.00 0.00 175.55 173.07 2gbs n PRO 72 N 1.36 0.59 -1.63 -3.49 -0.02 -1.26 -0.20 135.00 130.34 2gbs n PRO 72 Ca -0.21 0.21 -0.44 0.00 -2.02 0.00 0.00 63.50 61.04 2gbs n PRO 72 Cb 0.54 -1.60 -0.01 0.00 -0.02 0.00 0.00 33.50 32.41 2gbs n PRO 72 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2gbs n ASP 73 N 1.87 1.83 0.16 2.55 9.92 -1.09 -4.65 116.55 127.13 2gbs n ASP 73 Ca 0.17 1.19 0.13 0.00 -0.53 0.00 0.00 54.79 55.75 2gbs n ASP 73 Cb 0.20 -1.36 0.57 0.00 -0.64 0.00 0.00 41.12 39.89 2gbs n ASP 73 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2gbs h PRO 74 N 2.20 0.00 0.13 -0.24 0.13 -1.95 -2.33 132.00 129.93 2gbs h PRO 74 Ca -0.42 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.39 2gbs h PRO 74 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 2gbs h PRO 74 CO 0.61 0.00 -1.69 0.00 -0.23 0.00 0.00 178.00 176.69 2gbs h THR 75 N 0.00 0.85 -2.88 1.56 1.03 -2.00 -3.44 112.91 108.03 2gbs h THR 75 Ca 0.00 -2.39 -0.59 0.00 -0.01 0.00 0.00 66.41 63.42 2gbs h THR 75 Cb 0.25 2.61 -0.40 0.00 -1.07 0.00 0.00 68.15 69.54 2gbs h THR 75 CO 0.00 0.78 -0.78 -1.81 -0.01 0.00 0.00 175.52 173.70 2gbs s ASP 76 N -7.09 3.48 0.12 0.00 1.11 -0.90 -4.97 116.67 108.42 2gbs s ASP 76 Ca -0.21 -2.27 -0.12 0.00 0.18 0.00 0.00 52.55 50.14 2gbs s ASP 76 Cb 0.06 -0.77 -0.11 0.00 1.07 0.00 0.00 42.92 43.16 2gbs s ASP 76 CO 0.77 -0.31 1.37 0.00 1.18 0.00 0.00 175.17 178.18 2gbs h ALA 77 N 7.11 0.41 -0.33 5.23 0.00 -1.80 -3.03 119.26 126.85 2gbs h ALA 77 Ca -0.02 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 2gbs h ALA 77 Cb 0.96 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2gbs h ALA 77 CO 0.41 0.68 0.01 0.43 0.00 0.00 0.00 179.25 180.78 2gbs n SER 78 N -3.98 3.99 -0.33 0.00 7.64 -1.26 -4.55 113.62 115.13 2gbs n SER 78 Ca -0.06 -3.10 0.08 0.00 1.01 0.00 0.00 58.87 56.80 2gbs n SER 78 Cb 0.68 -0.58 0.34 0.00 -1.01 0.00 0.00 64.21 63.64 2gbs n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2gbs n GLY 79 N -0.45 -0.22 2.34 0.23 0.00 -1.15 -4.89 105.19 101.05 2gbs n GLY 79 Ca 0.24 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 2gbs n GLY 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2gbs n LYS 80 N -0.09 -2.20 -4.13 1.61 4.81 -1.26 -5.02 118.16 111.87 2gbs n LYS 80 Ca 0.13 0.45 -0.09 0.00 -0.87 0.00 0.00 58.31 57.93 2gbs n LYS 80 Cb 0.20 -4.38 -0.10 0.00 0.02 0.00 0.00 35.03 30.77 2gbs n LYS 80 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2gbs s PHE 81 N -2.80 0.71 0.02 5.64 0.08 -1.26 -5.12 117.98 115.26 2gbs s PHE 81 Ca 0.13 -0.95 0.01 0.00 0.12 0.00 0.00 56.93 56.23 2gbs s PHE 81 Cb -0.06 -0.45 -0.02 0.00 -0.57 0.00 0.00 43.02 41.92 2gbs s PHE 81 CO 0.16 -0.24 -0.04 0.14 -0.10 0.00 0.00 175.22 175.14 2gbs s VAL 82 N -3.60 0.25 0.24 -0.44 -7.23 -1.26 -2.69 120.40 105.66 2gbs s VAL 82 Ca 0.08 -0.77 0.07 0.00 -1.81 0.00 0.00 61.98 59.55 2gbs s VAL 82 Cb 0.05 -0.34 -0.05 0.00 0.56 0.00 0.00 36.38 36.61 2gbs s VAL 82 CO -0.07 -0.34 -0.11 0.00 -0.31 0.00 0.00 175.10 174.28 2gbs s VAL 84 N -2.99 1.17 -0.13 0.00 -7.23 -1.24 -1.19 120.40 108.79 2gbs s VAL 84 Ca 0.25 -1.92 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2gbs s VAL 84 Cb 0.01 -1.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.22 2gbs s VAL 84 CO 0.09 -0.64 0.02 -1.81 -0.31 0.00 0.00 175.10 172.45 2gbs s ASP 85 N -2.90 5.36 0.09 4.85 1.11 -1.02 0.09 116.67 124.25 2gbs s ASP 85 Ca 0.13 0.09 0.08 0.00 0.18 0.00 0.00 52.55 53.04 2gbs s ASP 85 Cb -0.00 -1.74 -0.03 0.00 1.07 0.00 0.00 42.92 42.22 2gbs s ASP 85 CO 0.01 0.27 -0.21 0.27 1.18 0.00 0.00 175.17 176.69 2gbs s ILE 86 N -0.25 1.73 0.01 0.77 -4.36 0.12 -0.81 121.20 118.41 2gbs s ILE 86 Ca 0.07 -1.46 0.02 0.00 -0.26 0.00 0.00 60.65 59.01 2gbs s ILE 86 Cb -0.12 -1.56 -0.01 0.00 1.25 0.00 0.00 42.46 42.02 2gbs s ILE 86 CO 0.02 0.02 -0.07 -1.59 0.24 0.00 0.00 174.94 173.56 2gbs s LYS 87 N -1.72 0.53 -0.06 0.37 -2.85 -0.91 -0.18 119.74 114.92 2gbs s LYS 87 Ca 0.07 -0.43 -0.30 0.00 -1.00 0.00 0.00 55.97 54.31 2gbs s LYS 87 Cb -0.10 -0.45 -0.07 0.00 -2.06 0.00 0.00 37.83 35.16 2gbs s LYS 87 CO 0.04 0.11 1.86 0.00 0.10 0.00 0.00 175.35 177.45 2gbs s ALA 88 N -0.60 3.44 -0.11 0.59 0.00 -1.26 -1.42 121.76 122.40 2gbs s ALA 88 Ca -0.02 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.94 2gbs s ALA 88 Cb -0.05 -3.84 -0.01 0.00 0.00 0.00 0.00 23.12 19.22 2gbs s ALA 88 CO 0.00 -1.72 -0.04 0.22 0.00 0.00 0.00 175.76 174.22 2gbs h ASP 89 N 10.85 0.00 -5.03 0.00 3.58 -0.75 -3.46 116.42 121.60 2gbs h ASP 89 Ca -0.43 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 56.94 2gbs h ASP 89 Cb 1.21 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 42.09 2gbs h ASP 89 CO 0.96 0.54 -0.12 -1.59 -2.88 0.00 0.00 179.24 176.15 2gbs s LYS 90 N -1.69 0.89 0.53 0.28 -2.85 -1.24 -5.02 119.74 110.64 2gbs s LYS 90 Ca -0.03 -0.34 -0.03 0.00 -1.00 0.00 0.00 55.97 54.57 2gbs s LYS 90 Cb 0.00 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 2gbs s LYS 90 CO 0.05 -0.30 0.80 -1.25 0.10 0.00 0.00 175.35 174.75 2gbs s PRO 91 N -2.33 3.02 -0.00 1.78 0.04 -1.26 -1.12 135.00 135.12 2gbs s PRO 91 Ca -0.06 -0.19 -0.20 0.00 0.04 0.00 0.00 61.00 60.59 2gbs s PRO 91 Cb -0.01 -2.40 -0.05 0.00 0.04 0.00 0.00 34.50 32.08 2gbs s PRO 91 CO -0.01 -0.49 0.58 -0.51 0.04 0.00 0.00 177.00 176.60 2gbs s LEU 92 N -4.80 4.42 0.52 -3.56 1.43 0.51 -4.90 118.68 112.31 2gbs s LEU 92 Ca 0.51 1.15 0.20 0.00 -1.03 0.00 0.00 54.13 54.96 2gbs s LEU 92 Cb -0.10 -2.89 1.35 0.00 0.03 0.00 0.00 46.19 44.58 2gbs s LEU 92 CO 0.42 0.12 2.12 0.50 0.23 0.00 0.00 176.35 179.75 2gbs h LYS 93 N 5.53 0.00 -3.89 1.70 3.64 -1.87 -3.39 116.57 118.30 2gbs h LYS 93 Ca -0.46 0.00 -0.47 0.00 -1.27 0.00 0.00 60.65 58.45 2gbs h LYS 93 Cb 1.20 0.00 -0.38 0.00 -0.41 0.00 0.00 32.23 32.64 2gbs h LYS 93 CO 0.69 0.07 -0.78 0.99 -2.27 0.00 0.00 179.45 178.15 2gbs s THR 94 N -4.73 0.61 0.15 1.00 2.01 0.45 -4.98 115.64 110.14 2gbs s THR 94 Ca -0.04 -0.03 -0.32 0.00 0.31 0.00 0.00 61.69 61.61 2gbs s THR 94 Cb 0.16 -0.72 -0.11 0.00 0.01 0.00 0.00 72.50 71.83 2gbs s THR 94 CO 0.64 0.29 1.80 -0.81 -0.69 0.00 0.00 174.62 175.85 2gbs n PRO 95 N 5.07 2.78 -3.12 4.92 -0.04 -1.26 -4.30 135.00 139.06 2gbs n PRO 95 Ca -0.09 1.01 -0.45 0.00 -0.04 0.00 0.00 63.50 63.93 2gbs n PRO 95 Cb 0.50 -2.89 -0.03 0.00 -0.04 0.00 0.00 33.50 31.04 2gbs n PRO 95 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gbs s VAL 96 N 2.27 5.00 0.62 0.52 1.01 -0.15 -4.85 120.40 124.82 2gbs s VAL 96 Ca 0.80 -1.53 -0.11 0.00 0.00 0.00 0.00 61.98 61.14 2gbs s VAL 96 Cb -0.49 -4.57 -0.04 0.00 0.00 0.00 0.00 36.38 31.28 2gbs s VAL 96 CO 0.36 -1.21 1.03 0.42 0.00 0.00 0.00 175.10 175.70 2gbs s THR 97 N 2.04 4.71 0.56 3.92 -4.23 -1.26 0.42 115.64 121.81 2gbs s THR 97 Ca 0.19 0.87 0.25 0.00 -1.18 0.00 0.00 61.69 61.81 2gbs s THR 97 Cb -0.15 -3.87 0.34 0.00 1.34 0.00 0.00 72.50 70.16 2gbs s THR 97 CO -0.02 -1.14 2.14 0.25 -0.54 0.00 0.00 174.62 175.30 2gbs h LEU 98 N -0.31 0.00 -0.88 4.79 5.85 -0.03 0.24 115.31 124.96 2gbs h LEU 98 Ca -0.44 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.18 2gbs h LEU 98 Cb 1.19 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 2gbs h LEU 98 CO 0.62 0.00 -0.27 0.00 -0.34 0.00 0.00 178.44 178.45 2gbs h ALA 99 N 1.89 1.05 0.03 1.25 0.00 -1.92 0.11 119.26 121.67 2gbs h ALA 99 Ca 0.07 -0.36 -0.22 0.00 0.00 0.00 0.00 54.91 54.40 2gbs h ALA 99 Cb 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2gbs h ALA 99 CO -0.00 0.58 -0.98 0.00 0.00 0.00 0.00 179.25 178.84 2gbs h ALA 100 N 1.27 0.38 -0.56 0.00 0.00 -1.03 -2.57 119.26 116.75 2gbs h ALA 100 Ca 0.06 -0.78 -0.08 0.00 0.00 0.00 0.00 54.91 54.11 2gbs h ALA 100 Cb 0.71 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2gbs h ALA 100 CO 0.05 0.95 0.02 0.28 0.00 0.00 0.00 179.25 180.55 2gbs h VAL 101 N 0.11 1.26 0.00 0.00 2.07 -0.50 -1.76 116.25 117.43 2gbs h VAL 101 Ca -0.07 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.39 2gbs h VAL 101 Cb 1.65 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2gbs h VAL 101 CO 0.15 0.39 0.00 0.29 0.02 0.00 0.00 177.57 178.42 2gbs n LYS 102 N -4.20 0.19 0.21 1.57 5.02 0.36 -2.16 118.16 119.15 2gbs n LYS 102 Ca 0.03 0.33 0.11 0.00 -2.02 0.00 0.00 58.31 56.77 2gbs n LYS 102 Cb 0.32 -1.81 0.15 0.00 -0.02 0.00 0.00 35.03 33.67 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 2.39 0.94 -2.60 7.82 0.00 -0.89 -3.41 119.26 123.51 2gbs h ALA 103 Ca 0.00 -0.03 -0.73 0.00 0.00 0.00 0.00 54.91 54.15 2gbs h ALA 103 Cb 0.47 -0.00 -0.26 0.00 0.00 0.00 0.00 17.79 17.99 2gbs h ALA 103 CO 0.00 0.04 -0.41 -2.00 0.00 0.00 0.00 179.25 176.88 2gbs s GLU 104 N -3.20 2.73 0.51 0.00 2.56 -0.92 -4.95 118.70 115.42 2gbs s GLU 104 Ca 0.06 -1.46 0.34 0.00 0.00 0.00 0.00 54.97 53.91 2gbs s GLU 104 Cb 0.05 -3.92 1.78 0.00 2.00 0.00 0.00 34.13 34.04 2gbs s GLU 104 CO 0.68 -1.01 2.05 -1.35 -0.56 0.00 0.00 175.26 175.07 2gbs h PRO 105 N 8.54 0.00 0.00 4.30 0.11 -1.80 -0.40 132.00 142.74 2gbs h PRO 105 Ca -0.25 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.77 2gbs h PRO 105 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2gbs h PRO 105 CO 0.82 0.00 -0.44 -0.09 -0.21 0.00 0.00 178.00 178.07 2gbs h ARG 106 N 0.00 0.00 -0.27 1.05 2.43 -1.92 -3.06 114.38 112.61 2gbs h ARG 106 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2gbs h ARG 106 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 2gbs h ARG 106 CO 0.00 0.44 0.00 1.28 -1.51 0.00 0.00 179.97 180.18 2gbs n LEU 107 N -3.37 1.96 0.20 3.80 4.77 -0.16 -3.75 117.00 120.44 2gbs n LEU 107 Ca 0.01 -0.89 0.14 0.00 -0.03 0.00 0.00 56.01 55.24 2gbs n LEU 107 Cb 0.62 -0.18 0.55 0.00 -2.33 0.00 0.00 43.42 42.08 2gbs n LEU 107 CO 0.38 0.44 0.92 0.00 -1.33 0.00 0.00 177.39 177.81 2gbs h ALA 108 N 3.95 1.00 -0.02 -1.18 0.00 -1.57 -2.38 119.26 119.06 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 0.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2gbs h ALA 108 CO 0.00 0.00 -0.14 -3.47 0.00 0.00 0.00 179.25 175.64 2gbs n ASP 109 N -2.69 2.49 -4.77 0.00 2.03 -1.25 -4.76 116.55 107.62 2gbs n ASP 109 Ca 0.02 -1.77 -0.39 0.00 0.52 0.00 0.00 54.79 53.18 2gbs n ASP 109 Cb 0.30 0.14 -0.00 0.00 -0.72 0.00 0.00 41.12 40.84 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 -2.16 3.85 0.28 -0.67 -2.45 -0.90 -4.92 119.30 112.33 2gbs s MET 110 Ca 0.26 2.02 -0.01 0.00 -1.25 0.00 0.00 55.69 56.71 2gbs s MET 110 Cb 0.20 -2.61 0.46 0.00 1.25 0.00 0.00 34.83 34.13 2gbs s MET 110 CO 0.39 -0.55 1.88 0.00 1.05 0.00 0.00 175.02 177.79 2gbs h ALA 111 N 2.41 1.45 -1.01 4.11 0.00 -1.88 -0.76 119.26 123.57 2gbs h ALA 111 Ca -0.49 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 54.64 2gbs h ALA 111 Cb 1.25 -0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 2gbs h ALA 111 CO 0.61 0.38 0.64 1.25 0.00 0.00 0.00 179.25 182.13 2gbs h LEU 112 N 1.11 0.55 -0.60 0.00 5.85 -1.91 0.62 115.31 120.93 2gbs h LEU 112 Ca 0.44 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 59.10 2gbs h LEU 112 Cb 0.25 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2gbs h LEU 112 CO -0.19 0.14 -0.64 -0.03 -0.34 0.00 0.00 178.44 177.38 2gbs h MET 113 N 0.50 0.25 0.01 1.25 4.05 -1.40 -3.36 114.93 116.23 2gbs h MET 113 Ca 0.58 -0.18 -0.40 0.00 -0.28 0.00 0.00 59.70 59.42 2gbs h MET 113 Cb 1.30 0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 32.07 2gbs h MET 113 CO -0.32 0.81 -2.24 1.63 0.23 0.00 0.00 176.91 177.02 2gbs n LYS 114 N -3.85 0.61 -3.04 0.39 5.02 -0.40 -4.85 118.16 112.04 2gbs n LYS 114 Ca -0.03 0.31 -0.44 0.00 -2.02 0.00 0.00 58.31 56.13 2gbs n LYS 114 Cb 0.64 -1.56 -0.04 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.48 2.93 0.15 2.13 2.02 0.20 -4.84 117.35 117.46 2gbs s TYR 115 Ca -0.35 -0.90 0.03 0.00 -0.37 0.00 0.00 57.07 55.48 2gbs s TYR 115 Cb 0.11 -4.10 -0.08 0.00 -0.40 0.00 0.00 41.96 37.49 2gbs s TYR 115 CO 0.55 -1.40 1.33 0.77 -1.57 0.00 0.00 175.55 175.23 2gbs h SER 116 N 9.24 0.18 0.72 2.29 0.02 -1.84 -3.31 113.55 120.85 2gbs h SER 116 Ca -0.26 -0.16 -0.18 0.00 -0.84 0.00 0.00 61.79 60.34 2gbs h SER 116 Cb 1.08 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.54 2gbs h SER 116 CO 1.12 1.03 -0.85 0.03 -1.14 0.00 0.00 176.83 177.02 2gbs h ARG 117 N 0.06 0.09 -6.05 3.45 2.47 -1.98 -3.43 114.38 108.98 2gbs h ARG 117 Ca -0.04 -0.10 -0.58 0.00 -1.26 0.00 0.00 59.98 57.99 2gbs h ARG 117 Cb 1.63 0.03 -0.07 0.00 -1.65 0.00 0.00 29.97 29.90 2gbs h ARG 117 CO 0.14 0.88 0.70 -1.17 0.56 0.00 0.00 179.97 181.08 2gbs s LEU 118 N -7.26 4.04 -0.17 3.04 2.96 -1.25 -4.92 118.68 115.12 2gbs s LEU 118 Ca -0.01 1.10 -0.15 0.00 -0.22 0.00 0.00 54.13 54.85 2gbs s LEU 118 Cb 0.11 -3.41 -0.11 0.00 0.50 0.00 0.00 46.19 43.28 2gbs s LEU 118 CO 0.81 -0.70 0.04 -1.28 -1.32 0.00 0.00 176.35 173.90 2gbs h SER 119 N 7.80 0.00 -2.82 3.68 0.87 -1.88 -3.45 113.55 117.75 2gbs h SER 119 Ca -0.21 -0.26 -0.62 0.00 -1.23 0.00 0.00 61.79 59.47 2gbs h SER 119 Cb 1.07 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 62.89 2gbs h SER 119 CO 0.96 1.08 0.55 -0.69 -0.53 0.00 0.00 176.83 178.20 2gbs s VAL 120 N -2.26 4.34 0.34 2.23 1.01 -1.25 -3.49 120.40 121.32 2gbs s VAL 120 Ca -0.20 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2gbs s VAL 120 Cb 0.03 -4.64 -0.07 0.00 0.00 0.00 0.00 36.38 31.71 2gbs s VAL 120 CO 0.39 -1.35 -0.02 0.00 0.00 0.00 0.00 175.10 174.12 2gbs s GLN 121 N 4.05 1.74 0.21 2.72 -2.07 -0.42 -4.68 119.66 121.20 2gbs s GLN 121 Ca 0.25 -1.93 -0.05 0.00 -1.82 0.00 0.00 55.36 51.80 2gbs s GLN 121 Cb -0.15 -1.32 -0.06 0.00 -1.09 0.00 0.00 33.01 30.39 2gbs s GLN 121 CO 0.13 -0.02 0.46 -1.25 -1.32 0.00 0.00 175.29 173.29 2gbs s PRO 122 N -3.74 3.65 -0.05 9.60 0.04 -1.26 -0.77 135.00 142.47 2gbs s PRO 122 Ca 0.33 -0.01 0.01 0.00 0.04 0.00 0.00 61.00 61.37 2gbs s PRO 122 Cb 0.06 -2.75 0.02 0.00 0.04 0.00 0.00 34.50 31.87 2gbs s PRO 122 CO 0.15 0.36 -0.07 0.08 0.04 0.00 0.00 177.00 177.57 2gbs s VAL 123 N -1.83 0.70 0.73 -0.36 1.01 0.21 -4.74 120.40 116.12 2gbs s VAL 123 Ca 0.43 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.12 2gbs s VAL 123 Cb -0.11 -0.70 0.08 0.00 0.00 0.00 0.00 36.38 35.65 2gbs s VAL 123 CO 0.26 0.26 1.04 0.42 0.00 0.00 0.00 175.10 177.08 2gbs s THR 124 N 0.84 2.24 0.14 3.92 -4.23 -1.26 -3.87 115.64 113.42 2gbs s THR 124 Ca -0.12 -0.29 -0.18 0.00 -1.18 0.00 0.00 61.69 59.92 2gbs s THR 124 Cb -0.15 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.73 2gbs s THR 124 CO 0.01 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.86 2gbs h ALA 125 N -0.69 0.36 -0.59 3.99 0.00 -1.98 0.35 119.26 120.70 2gbs h ALA 125 Ca -0.43 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.41 2gbs h ALA 125 Cb 1.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2gbs h ALA 125 CO 0.55 -0.24 0.08 0.93 0.00 0.00 0.00 179.25 180.57 2gbs h GLU 126 N 0.31 0.98 0.04 0.00 3.07 -1.98 0.28 114.58 117.29 2gbs h GLU 126 Ca 0.12 -0.28 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 2gbs h GLU 126 Cb 0.04 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.84 2gbs h GLU 126 CO -0.09 0.94 -0.04 0.93 -1.40 0.00 0.00 179.01 179.35 2gbs h GLU 127 N 0.88 -0.10 -0.30 2.33 5.08 -1.87 0.10 114.58 120.71 2gbs h GLU 127 Ca 0.18 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.58 2gbs h GLU 127 Cb 0.45 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2gbs h GLU 127 CO 0.02 -0.06 0.07 2.35 -1.00 0.00 0.00 179.01 180.38 2gbs h TRP 128 N -0.10 0.13 -0.70 4.33 2.91 -0.61 -1.38 115.95 120.53 2gbs h TRP 128 Ca 0.00 0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.01 2gbs h TRP 128 Cb 0.10 -0.01 -0.03 0.00 -0.51 0.00 0.00 29.16 28.70 2gbs h TRP 128 CO -0.10 0.04 0.31 0.87 -1.03 0.00 0.00 178.44 178.53 2gbs h LYS 129 N 0.19 1.01 -0.14 2.65 1.79 -0.23 0.28 116.57 122.13 2gbs h LYS 129 Ca 0.14 -0.15 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 2gbs h LYS 129 Cb 0.13 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2gbs h LYS 129 CO -0.17 0.80 -0.07 1.25 -1.08 0.00 0.00 179.45 180.19 2gbs h LEU 130 N 1.00 0.30 -0.56 2.94 5.85 -0.38 -0.57 115.31 123.89 2gbs h LEU 130 Ca 0.24 -0.42 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 2gbs h LEU 130 Cb 0.15 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2gbs h LEU 130 CO -0.03 0.65 -0.06 0.58 -0.34 0.00 0.00 178.44 179.25 2gbs h VAL 131 N -0.05 1.27 -0.35 1.05 2.07 -1.10 0.04 116.25 119.18 2gbs h VAL 131 Ca 0.03 -1.21 0.08 0.00 0.82 0.00 0.00 66.70 66.41 2gbs h VAL 131 Cb 0.54 0.91 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 2gbs h VAL 131 CO 0.02 0.43 -0.18 0.00 0.02 0.00 0.00 177.57 177.86 2gbs h LYS 133 N -0.13 0.57 0.00 0.00 3.64 -0.90 -2.82 116.57 116.93 2gbs h LYS 133 Ca 0.18 -0.33 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 2gbs h LYS 133 Cb 0.39 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.24 2gbs h LYS 133 CO -0.43 0.93 -0.13 1.98 -2.27 0.00 0.00 179.45 179.53 2gbs h MET 134 N 0.45 0.00 0.00 1.90 4.05 -0.41 -0.08 114.93 120.84 2gbs h MET 134 Ca 0.02 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2gbs h MET 134 Cb 1.01 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.81 2gbs h MET 134 CO 0.09 0.13 0.00 0.41 0.23 0.00 0.00 176.91 177.77 2gbs n GLY 135 N -1.00 -0.78 1.74 1.39 0.00 -0.38 -4.82 105.19 101.33 2gbs n GLY 135 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.50 0.48 0.10 -0.02 0.00 -0.04 -0.41 105.19 105.79 2gbs n GLY 136 Ca 0.14 -0.93 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 2gbs n GLY 136 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2gbs h LEU 137 N 0.00 0.28 -8.60 0.99 4.07 -1.61 -3.42 115.31 107.02 2gbs h LEU 137 Ca 0.00 -0.84 -0.63 0.00 0.08 0.00 0.00 57.88 56.49 2gbs h LEU 137 Cb 0.15 -0.09 -0.13 0.00 1.08 0.00 0.00 40.66 41.67 2gbs h LEU 137 CO 0.00 1.09 0.34 -0.76 -1.08 0.00 0.00 178.44 178.03 2gbs s LEU 138 N -8.32 4.30 -0.27 1.67 1.02 -1.26 -5.01 118.68 110.80 2gbs s LEU 138 Ca -0.15 -0.19 -0.29 0.00 0.02 0.00 0.00 54.13 53.51 2gbs s LEU 138 Cb 0.01 -2.90 -0.00 0.00 0.02 0.00 0.00 46.19 43.31 2gbs s LEU 138 CO 0.76 -0.93 1.33 -1.61 0.02 0.00 0.00 176.35 175.92 2gbs s GLU 139 N 3.28 3.95 0.00 1.70 2.02 -1.26 -4.84 118.70 123.55 2gbs s GLU 139 Ca 0.29 1.36 0.23 0.00 0.02 0.00 0.00 54.97 56.86 2gbs s GLU 139 Cb -0.13 -3.88 0.56 0.00 0.10 0.00 0.00 34.13 30.78 2gbs s GLU 139 CO 0.22 -1.08 1.48 1.58 0.02 0.00 0.00 175.26 177.48 2gbs n HIS 140 N 7.57 0.76 -3.86 1.61 -0.00 -1.26 -4.88 115.22 115.16 2gbs n HIS 140 Ca 0.15 -0.38 -0.35 0.00 0.46 0.00 0.00 57.72 57.60 2gbs n HIS 140 Cb 0.46 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.25 2gbs n HIS 140 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2gbs s HIS 141 N -1.24 3.37 -1.08 1.57 5.65 -1.26 -5.03 115.29 117.26 2gbs s HIS 141 Ca 0.44 0.26 -0.21 0.00 0.25 0.00 0.00 55.06 55.80 2gbs s HIS 141 Cb 0.24 -2.10 0.07 0.00 -1.18 0.00 0.00 32.58 29.61 2gbs s HIS 141 CO 0.32 0.29 1.48 -1.58 -0.65 0.00 0.00 174.74 174.60 2gbs s HIS 142 N 0.18 2.71 0.07 3.88 2.46 -1.26 -4.71 115.29 118.62 2gbs s HIS 142 Ca 0.07 -1.16 -0.09 0.00 0.47 0.00 0.00 55.06 54.35 2gbs s HIS 142 Cb -0.12 -4.64 -0.26 0.00 -0.13 0.00 0.00 32.58 27.43 2gbs s HIS 142 CO -0.01 -1.83 1.13 1.25 -2.47 0.00 0.00 174.74 172.82 2gbs h HIS 143 N 9.02 0.73 0.00 3.88 6.17 -1.96 -3.45 115.15 129.54 2gbs h HIS 143 Ca 0.26 -0.49 0.00 0.00 0.71 0.00 0.00 60.37 60.85 2gbs h HIS 143 Cb 0.97 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 30.86 2gbs h HIS 143 CO 1.29 1.36 0.00 1.58 0.71 0.00 0.00 177.93 182.87 2gbs n HIS 144 N -3.67 -1.01 1.66 5.26 -0.00 -1.26 -5.31 115.22 110.89 2gbs n HIS 144 Ca -0.11 0.00 0.15 0.00 -0.00 0.00 0.00 57.72 57.76 2gbs n HIS 144 Cb 1.00 0.20 0.66 0.00 -0.00 0.00 0.00 29.99 31.86 2gbs n HIS 144 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95