#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 2.02 -0.07 2.33 0.00 -1.26 -4.70 121.76 120.08 2gbs s ALA 2 Ca 0.00 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.27 2gbs s ALA 2 Cb 0.00 -2.94 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 2gbs s ALA 2 CO 0.00 -2.26 -0.24 0.71 0.00 0.00 0.00 175.76 173.97 2gbs s TYR 3 N -3.47 2.42 0.37 0.00 2.02 -1.26 -0.53 117.35 116.90 2gbs s TYR 3 Ca 0.66 -0.80 0.05 0.00 -0.37 0.00 0.00 57.07 56.60 2gbs s TYR 3 Cb -0.11 -1.60 -0.02 0.00 -0.40 0.00 0.00 41.96 39.84 2gbs s TYR 3 CO 0.52 -0.28 0.17 0.91 -1.57 0.00 0.00 175.55 175.31 2gbs n TRP 4 N 3.14 -0.10 -3.70 2.71 7.02 0.20 -1.42 117.44 125.29 2gbs n TRP 4 Ca -0.18 -2.53 -0.11 0.00 -1.02 0.00 0.00 57.50 53.66 2gbs n TRP 4 Cb 0.52 0.07 -0.12 0.00 -2.42 0.00 0.00 31.31 29.36 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 -0.02 0.02 -0.99 0.20 -0.14 -1.32 118.68 116.43 2gbs s LEU 5 Ca 0.24 0.72 0.06 0.00 0.69 0.00 0.00 54.13 55.85 2gbs s LEU 5 Cb 0.01 1.02 -0.03 0.00 -0.43 0.00 0.00 46.19 46.76 2gbs s LEU 5 CO 0.17 -0.20 -0.18 0.68 -0.29 0.00 0.00 176.35 176.54 2gbs s VAL 6 N 1.67 2.80 -0.23 1.68 -7.23 -0.75 -0.56 120.40 117.78 2gbs s VAL 6 Ca -0.07 -1.08 -0.07 0.00 -1.81 0.00 0.00 61.98 58.95 2gbs s VAL 6 Cb -0.10 -2.15 -0.03 0.00 0.56 0.00 0.00 36.38 34.66 2gbs s VAL 6 CO -0.11 0.41 0.07 -0.54 -0.31 0.00 0.00 175.10 174.62 2gbs s LYS 7 N -1.23 3.76 0.13 4.82 1.02 -1.18 -2.19 119.74 124.86 2gbs s LYS 7 Ca 0.14 -0.44 0.08 0.00 0.02 0.00 0.00 55.97 55.77 2gbs s LYS 7 Cb -0.10 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.88 2gbs s LYS 7 CO 0.04 -0.04 -0.19 0.45 -0.92 0.00 0.00 175.35 174.69 2gbs s SER 8 N 1.22 2.52 -0.09 2.83 0.15 0.06 -4.94 113.70 115.45 2gbs s SER 8 Ca 0.05 -0.77 0.04 0.00 0.70 0.00 0.00 55.95 55.96 2gbs s SER 8 Cb -0.14 -0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.02 2gbs s SER 8 CO 0.03 -0.01 -0.20 -1.61 1.20 0.00 0.00 173.24 172.66 2gbs s GLU 9 N -2.36 2.88 0.36 5.44 2.02 -1.26 -0.69 118.70 125.09 2gbs s GLU 9 Ca 0.10 -0.81 0.26 0.00 0.02 0.00 0.00 54.97 54.54 2gbs s GLU 9 Cb -0.08 -2.35 1.27 0.00 0.10 0.00 0.00 34.13 33.07 2gbs s GLU 9 CO 0.05 0.32 1.78 -1.00 0.02 0.00 0.00 175.26 176.44 2gbs h PRO 10 N 6.28 0.00 0.00 0.39 0.13 -1.81 -0.40 132.00 136.59 2gbs h PRO 10 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2gbs h PRO 10 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2gbs h PRO 10 CO 0.50 0.00 0.00 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 -1.94 -3.38 113.55 109.69 2gbs h SER 11 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2gbs h SER 11 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2gbs h SER 11 CO 0.00 0.00 0.00 0.52 -1.14 0.00 0.00 176.83 176.21 2gbs n VAL 12 N -2.33 0.78 -4.95 2.27 0.31 -0.30 -5.08 118.33 109.03 2gbs n VAL 12 Ca 0.02 0.26 -0.30 0.00 -0.01 0.00 0.00 64.34 64.31 2gbs n VAL 12 Cb 0.22 -1.24 -0.17 0.00 -0.91 0.00 0.00 33.84 31.74 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 -1.81 2.20 0.50 3.52 -0.11 -0.37 -5.07 118.94 117.80 2gbs s TRP 13 Ca 0.00 -0.91 0.07 0.00 1.22 0.00 0.00 56.10 56.48 2gbs s TRP 13 Cb 0.00 -1.51 0.02 0.00 -1.50 0.00 0.00 33.47 30.48 2gbs s TRP 13 CO 0.00 -0.39 0.43 -1.54 -4.62 0.00 0.00 176.95 170.83 2gbs s SER 14 N 0.50 4.82 0.18 5.86 1.04 -1.26 -3.58 113.70 121.27 2gbs s SER 14 Ca -0.16 -1.02 0.10 0.00 0.48 0.00 0.00 55.95 55.35 2gbs s SER 14 Cb -0.17 0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.93 2gbs s SER 14 CO 0.06 -0.94 1.38 -0.25 0.98 0.00 0.00 173.24 174.47 2gbs h TRP 15 N 0.82 0.00 -0.83 5.02 2.91 -1.98 -3.27 115.95 118.62 2gbs h TRP 15 Ca -0.38 0.00 0.02 0.00 1.13 0.00 0.00 58.89 59.66 2gbs h TRP 15 Cb 1.29 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.89 2gbs h TRP 15 CO 0.73 0.82 0.54 -0.44 -1.03 0.00 0.00 178.44 179.07 2gbs h ASP 16 N 0.00 0.92 -0.61 2.65 5.19 -1.99 -1.31 116.42 121.27 2gbs h ASP 16 Ca -0.01 -0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.35 2gbs h ASP 16 Cb 1.55 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 40.81 2gbs h ASP 16 CO 0.11 0.65 0.27 1.56 -3.12 0.00 0.00 179.24 178.71 2gbs h GLN 17 N 1.09 0.93 -0.23 3.56 1.08 -1.98 0.40 115.11 119.95 2gbs h GLN 17 Ca 0.32 -0.14 -0.13 0.00 -1.45 0.00 0.00 58.65 57.25 2gbs h GLN 17 Cb -0.07 -0.17 -0.00 0.00 -0.05 0.00 0.00 27.48 27.19 2gbs h GLN 17 CO -0.09 0.75 -0.35 1.96 -0.95 0.00 0.00 178.83 180.15 2gbs h GLN 18 N 0.92 0.65 -0.03 1.46 1.08 -1.51 -3.04 115.11 114.64 2gbs h GLN 18 Ca 0.22 -0.39 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 2gbs h GLN 18 Cb 0.15 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2gbs h GLN 18 CO -0.02 1.00 -0.28 0.28 -0.95 0.00 0.00 178.83 178.86 2gbs h VAL 19 N 0.35 1.21 0.00 -0.54 2.07 -0.88 0.52 116.25 118.99 2gbs h VAL 19 Ca 0.02 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 2gbs h VAL 19 Cb 0.94 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 32.21 2gbs h VAL 19 CO 0.08 0.29 -0.02 0.00 0.02 0.00 0.00 177.57 177.94 2gbs h ALA 20 N 1.68 1.05 0.00 1.67 0.00 -0.81 -3.12 119.26 119.72 2gbs h ALA 20 Ca 0.00 -0.02 -0.41 0.00 0.00 0.00 0.00 54.91 54.49 2gbs h ALA 20 Cb 0.52 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.24 2gbs h ALA 20 CO 0.04 0.03 -2.44 1.63 0.00 0.00 0.00 179.25 178.51 2gbs n LYS 21 N -3.18 0.58 0.00 0.00 5.02 -0.31 -5.00 118.16 115.27 2gbs n LYS 21 Ca -0.01 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2gbs n LYS 21 Cb 0.19 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 2gbs n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gbs n GLY 22 N 1.77 0.31 0.26 0.72 0.00 0.17 -1.13 105.19 107.28 2gbs n GLY 22 Ca -0.48 0.65 0.14 0.00 0.00 0.00 0.00 46.02 46.33 2gbs n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gbs n ALA 23 N 7.12 2.75 0.07 4.61 0.00 -1.26 -3.69 120.51 130.11 2gbs n ALA 23 Ca 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.01 2gbs n ALA 23 Cb 0.00 -1.26 0.05 0.00 0.00 0.00 0.00 19.45 18.24 2gbs n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gbs h ALA 24 N 3.95 0.66 -0.35 0.00 0.00 -1.50 -3.50 119.26 118.52 2gbs h ALA 24 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 54.33 2gbs h ALA 24 Cb 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2gbs h ALA 24 CO 0.00 0.80 -0.09 0.41 0.00 0.00 0.00 179.25 180.37 2gbs n GLY 25 N 0.55 -1.92 3.44 0.00 0.00 -1.24 -5.04 105.19 100.99 2gbs n GLY 25 Ca -0.03 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.99 0.65 -0.35 1.61 2.56 0.04 -4.93 118.70 116.30 2gbs s GLU 26 Ca 0.00 0.71 -0.26 0.00 0.00 0.00 0.00 54.97 55.42 2gbs s GLU 26 Cb 0.00 0.32 0.01 0.00 2.00 0.00 0.00 34.13 36.46 2gbs s GLU 26 CO 0.00 -0.09 0.94 0.00 -0.56 0.00 0.00 175.26 175.56 2gbs s ALA 27 N 0.18 3.45 -1.08 6.30 0.00 -1.26 -0.16 121.76 129.19 2gbs s ALA 27 Ca -0.01 -0.34 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 2gbs s ALA 27 Cb -0.04 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 2gbs s ALA 27 CO 0.01 -1.51 1.86 -0.46 0.00 0.00 0.00 175.76 175.66 2gbs s TRP 28 N 3.45 2.07 0.31 0.00 -0.00 0.69 -4.92 118.94 120.53 2gbs s TRP 28 Ca 0.39 0.11 0.07 0.00 -0.00 0.00 0.00 56.10 56.67 2gbs s TRP 28 Cb -0.12 -4.19 -0.02 0.00 -0.00 0.00 0.00 33.47 29.13 2gbs s TRP 28 CO 0.17 -1.56 0.34 0.95 -0.00 0.00 0.00 176.95 176.85 2gbs s THR 29 N 9.13 4.10 0.00 5.86 -4.23 -1.26 -4.24 115.64 125.01 2gbs s THR 29 Ca 0.65 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.94 2gbs s THR 29 Cb -0.02 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.43 2gbs s THR 29 CO 0.05 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.52 2gbs n GLY 30 N -1.42 0.87 3.56 3.99 0.00 -1.26 -5.04 105.19 105.89 2gbs n GLY 30 Ca -0.03 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 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 4.60 -2.07 1.61 -7.23 -1.26 -4.84 120.40 109.21 2gbs s VAL 31 Ca 0.00 0.62 0.17 0.00 -1.81 0.00 0.00 61.98 60.95 2gbs s VAL 31 Cb 0.00 -4.34 0.13 0.00 0.56 0.00 0.00 36.38 32.73 2gbs s VAL 31 CO 0.00 -0.71 1.03 -2.11 -0.31 0.00 0.00 175.10 173.00 2gbs n ARG 32 N 6.81 1.31 -2.90 4.82 1.85 -1.26 -4.91 116.66 122.38 2gbs n ARG 32 Ca 0.04 -1.49 -0.41 0.00 -1.00 0.00 0.00 57.85 54.98 2gbs n ARG 32 Cb 0.48 -1.32 -0.04 0.00 -1.05 0.00 0.00 32.46 30.53 2gbs n ARG 32 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2gbs s ASN 33 N -1.38 6.95 0.07 2.89 3.84 -1.26 -4.96 114.94 121.10 2gbs s ASN 33 Ca 0.19 1.17 -0.16 0.00 0.21 0.00 0.00 52.86 54.27 2gbs s ASN 33 Cb 0.14 -2.45 -0.13 0.00 -0.55 0.00 0.00 41.25 38.26 2gbs s ASN 33 CO 0.21 -0.38 1.34 0.45 -2.79 0.00 0.00 177.10 175.92 2gbs h HIS 34 N 7.31 0.75 -0.33 0.43 3.86 -1.99 -1.53 115.15 123.65 2gbs h HIS 34 Ca -0.30 -0.26 -0.02 0.00 -1.16 0.00 0.00 60.37 58.62 2gbs h HIS 34 Cb 1.13 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.45 2gbs h HIS 34 CO 0.71 1.01 0.10 1.03 0.86 0.00 0.00 177.93 181.64 2gbs h SER 35 N 0.27 0.42 0.19 2.45 0.87 -1.99 -0.33 113.55 115.44 2gbs h SER 35 Ca 0.01 -0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2gbs h SER 35 Cb 0.95 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2gbs h SER 35 CO 0.08 0.41 -0.09 0.00 -0.53 0.00 0.00 176.83 176.71 2gbs h ALA 36 N 1.65 -0.25 -0.54 6.23 0.00 -1.82 -2.04 119.26 122.49 2gbs h ALA 36 Ca 0.11 -0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2gbs h ALA 36 Cb 0.15 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 17.95 2gbs h ALA 36 CO -0.01 -0.57 0.01 -0.22 0.00 0.00 0.00 179.25 178.47 2gbs h LYS 37 N -0.40 0.13 -0.52 0.00 3.64 -0.59 0.33 116.57 119.16 2gbs h LYS 37 Ca -0.03 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2gbs h LYS 37 Cb 0.31 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 2gbs h LYS 37 CO 0.04 0.09 0.29 -0.07 -2.27 0.00 0.00 179.45 177.53 2gbs h LEU 38 N 0.13 0.63 0.00 5.20 4.07 -0.97 -1.34 115.31 123.03 2gbs h LEU 38 Ca 0.27 -0.04 -0.21 0.00 0.08 0.00 0.00 57.88 57.98 2gbs h LEU 38 Cb 0.42 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.97 2gbs h LEU 38 CO -0.44 0.51 -1.10 0.45 -1.08 0.00 0.00 178.44 176.78 2gbs h HIS 39 N 0.72 0.00 -0.14 1.13 3.86 -0.49 -3.20 115.15 117.03 2gbs h HIS 39 Ca 0.19 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.26 2gbs h HIS 39 Cb 0.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2gbs h HIS 39 CO 0.00 0.89 -0.52 0.52 0.86 0.00 0.00 177.93 179.69 2gbs h MET 40 N 0.00 0.39 0.00 2.45 2.86 0.18 -2.13 114.93 118.68 2gbs h MET 40 Ca -0.08 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.30 2gbs h MET 40 Cb 1.75 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 33.42 2gbs h MET 40 CO 0.10 0.81 -0.16 0.28 1.06 0.00 0.00 176.91 179.00 2gbs h VAL 41 N 0.30 0.42 -0.21 -2.22 2.07 -1.35 -2.54 116.25 112.72 2gbs h VAL 41 Ca 0.01 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.58 2gbs h VAL 41 Cb 1.01 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2gbs h VAL 41 CO 0.09 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.84 2gbs n ALA 42 N -2.19 2.50 -1.92 1.67 0.00 -0.83 -4.88 120.51 114.86 2gbs n ALA 42 Ca 0.00 -0.58 -0.28 0.00 0.00 0.00 0.00 53.44 52.58 2gbs n ALA 42 Cb 0.39 -1.05 0.10 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.73 1.76 0.04 0.00 -1.94 -0.96 -5.06 119.30 111.41 2gbs s MET 43 Ca 0.32 -0.11 -0.10 0.00 -1.71 0.00 0.00 55.69 54.09 2gbs s MET 43 Cb 0.17 -1.99 0.01 0.00 2.01 0.00 0.00 34.83 35.03 2gbs s MET 43 CO 0.26 -1.66 0.22 1.03 -0.01 0.00 0.00 175.02 174.85 2gbs s ARG 44 N -5.55 0.71 -0.29 2.03 0.52 -1.26 -4.83 118.95 110.29 2gbs s ARG 44 Ca 0.64 -0.59 -0.29 0.00 -0.52 0.00 0.00 55.73 54.97 2gbs s ARG 44 Cb -0.09 0.30 -0.01 0.00 0.52 0.00 0.00 34.95 35.66 2gbs s ARG 44 CO 0.49 -0.21 1.57 0.50 0.02 0.00 0.00 175.30 177.67 2gbs s ARG 45 N -2.50 3.68 0.00 3.54 3.52 -1.26 -1.27 118.95 124.66 2gbs s ARG 45 Ca -0.06 1.43 0.00 0.00 -0.13 0.00 0.00 55.73 56.98 2gbs s ARG 45 Cb -0.01 -4.04 0.00 0.00 -1.56 0.00 0.00 34.95 29.33 2gbs s ARG 45 CO -0.03 -1.43 0.00 0.41 -0.81 0.00 0.00 175.30 173.43 2gbs n GLY 46 N 4.84 1.47 3.78 8.12 0.00 0.47 -4.61 105.19 119.26 2gbs n GLY 46 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.97 5.46 -0.02 1.61 1.11 -0.40 -3.49 116.67 118.97 2gbs s ASP 47 Ca 0.00 1.99 0.02 0.00 0.18 0.00 0.00 52.55 54.74 2gbs s ASP 47 Cb 0.00 -2.55 0.00 0.00 1.07 0.00 0.00 42.92 41.44 2gbs s ASP 47 CO 0.00 -1.39 -0.06 -0.13 1.18 0.00 0.00 175.17 174.77 2gbs s ARG 48 N -3.86 0.69 0.23 8.23 0.52 0.31 -0.21 118.95 124.86 2gbs s ARG 48 Ca 0.67 -0.20 0.11 0.00 -0.52 0.00 0.00 55.73 55.79 2gbs s ARG 48 Cb -0.20 -0.68 -0.05 0.00 0.52 0.00 0.00 34.95 34.55 2gbs s ARG 48 CO 0.36 0.07 -0.21 0.00 0.02 0.00 0.00 175.30 175.54 2gbs s ALA 49 N 0.23 2.52 -0.11 2.13 0.00 0.62 -0.63 121.76 126.53 2gbs s ALA 49 Ca -0.03 -1.73 -0.20 0.00 0.00 0.00 0.00 51.96 50.00 2gbs s ALA 49 Cb -0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 2gbs s ALA 49 CO -0.00 0.31 0.57 -0.06 0.00 0.00 0.00 175.76 176.58 2gbs s PHE 50 N -2.21 3.52 -0.62 0.00 0.08 -0.43 -0.76 117.98 117.56 2gbs s PHE 50 Ca 0.24 1.02 -0.25 0.00 0.12 0.00 0.00 56.93 58.07 2gbs s PHE 50 Cb -0.06 -2.67 0.04 0.00 -0.57 0.00 0.00 43.02 39.77 2gbs s PHE 50 CO 0.12 0.10 1.05 -0.47 -0.10 0.00 0.00 175.22 175.92 2gbs s TYR 51 N 0.84 2.63 -0.15 0.36 6.14 0.55 -1.81 117.35 125.90 2gbs s TYR 51 Ca 0.30 -0.10 -0.00 0.00 0.64 0.00 0.00 57.07 57.91 2gbs s TYR 51 Cb -0.16 -4.31 -0.01 0.00 0.42 0.00 0.00 41.96 37.90 2gbs s TYR 51 CO 0.13 -1.62 -0.14 -0.47 0.64 0.00 0.00 175.55 174.10 2gbs s TYR 52 N 4.50 2.80 0.10 4.97 5.04 -0.93 -1.85 117.35 131.97 2gbs s TYR 52 Ca 0.31 -0.84 -0.24 0.00 -2.44 0.00 0.00 57.07 53.86 2gbs s TYR 52 Cb -0.12 -1.88 -0.07 0.00 0.35 0.00 0.00 41.96 40.25 2gbs s TYR 52 CO 0.17 -0.35 0.72 -1.01 -1.34 0.00 0.00 175.55 173.74 2gbs s HIS 53 N 0.62 3.82 0.22 4.97 3.76 -0.03 -0.76 115.29 127.89 2gbs s HIS 53 Ca -0.08 1.48 0.08 0.00 -0.15 0.00 0.00 55.06 56.40 2gbs s HIS 53 Cb -0.16 -2.72 -0.04 0.00 1.11 0.00 0.00 32.58 30.78 2gbs s HIS 53 CO 0.03 0.45 0.04 -1.12 -0.85 0.00 0.00 174.74 173.28 2gbs s SER 54 N -0.74 4.84 0.00 1.40 0.01 0.13 -2.25 113.70 117.08 2gbs s SER 54 Ca 0.35 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2gbs s SER 54 Cb -0.21 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 64.99 2gbs s SER 54 CO 0.23 0.03 0.00 0.59 0.41 0.00 0.00 173.24 174.50 2gbs n ASN 55 N -0.63 0.00 -4.70 2.44 3.02 -1.26 -4.60 115.26 109.53 2gbs n ASN 55 Ca -0.08 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.10 2gbs n ASN 55 Cb 0.57 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.67 2gbs n ASN 55 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2gbs s GLU 56 N 0.00 4.21 0.00 3.52 2.02 -1.26 -4.48 118.70 122.71 2gbs s GLU 56 Ca 0.00 0.10 0.00 0.00 0.02 0.00 0.00 54.97 55.09 2gbs s GLU 56 Cb 0.00 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 30.75 2gbs s GLU 56 CO 0.00 0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.80 2gbs n GLY 57 N 3.69 2.25 3.74 -1.39 0.00 -1.26 -4.73 105.19 107.50 2gbs n GLY 57 Ca -0.11 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.10 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 -6.88 -4.39 1.61 5.02 -0.96 -4.71 118.16 107.85 2gbs n LYS 58 Ca 0.00 0.72 -0.24 0.00 -2.02 0.00 0.00 58.31 56.77 2gbs n LYS 58 Cb 0.00 -5.71 -0.13 0.00 -0.02 0.00 0.00 35.03 29.17 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 -6.46 1.18 -0.44 1.97 1.03 -1.17 0.24 118.70 115.04 2gbs s GLU 59 Ca 0.63 -1.08 -0.17 0.00 0.03 0.00 0.00 54.97 54.38 2gbs s GLU 59 Cb -0.29 -1.39 0.04 0.00 -0.80 0.00 0.00 34.13 31.69 2gbs s GLU 59 CO 0.77 0.33 0.42 0.42 -1.33 0.00 0.00 175.26 175.88 2gbs s ILE 60 N -1.05 5.14 -0.20 1.83 1.01 0.72 -0.85 121.20 127.79 2gbs s ILE 60 Ca 0.06 -0.62 0.13 0.00 0.00 0.00 0.00 60.65 60.22 2gbs s ILE 60 Cb -0.10 -4.07 -0.21 0.00 0.01 0.00 0.00 42.46 38.09 2gbs s ILE 60 CO 0.03 -0.49 -0.00 1.33 0.00 0.00 0.00 174.94 175.82 2gbs n VAL 61 N 5.34 1.29 -3.95 2.92 0.24 -0.77 -1.71 118.33 121.69 2gbs n VAL 61 Ca -0.09 -0.72 -0.09 0.00 -2.04 0.00 0.00 64.34 61.39 2gbs n VAL 61 Cb 0.46 -0.70 -0.07 0.00 -1.47 0.00 0.00 33.84 32.06 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 -5.52 0.42 -0.23 7.63 0.00 -1.25 -0.11 107.32 108.25 2gbs s GLY 62 Ca -0.15 -0.85 -0.08 0.00 0.00 0.00 0.00 44.72 43.64 2gbs s GLY 62 CO 0.71 -0.85 0.08 -0.42 0.00 0.00 0.00 173.10 172.62 2gbs s ILE 63 N -3.95 4.55 -0.19 0.90 1.01 0.11 -0.33 121.20 123.30 2gbs s ILE 63 Ca 0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 2gbs s ILE 63 Cb 0.04 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2gbs s ILE 63 CO -0.02 0.36 0.02 0.00 0.00 0.00 0.00 174.94 175.30 2gbs s ALA 64 N 1.29 3.16 -0.13 9.38 0.00 0.06 -1.58 121.76 133.95 2gbs s ALA 64 Ca 0.05 -0.89 -0.10 0.00 0.00 0.00 0.00 51.96 51.03 2gbs s ALA 64 Cb -0.15 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 2gbs s ALA 64 CO 0.04 -0.00 0.19 -2.00 0.00 0.00 0.00 175.76 173.99 2gbs s GLU 65 N 0.73 3.77 -0.52 0.00 2.12 -0.93 -0.28 118.70 123.59 2gbs s GLU 65 Ca 0.01 -0.05 -0.28 0.00 0.36 0.00 0.00 54.97 55.01 2gbs s GLU 65 Cb -0.14 -3.27 0.02 0.00 0.26 0.00 0.00 34.13 31.00 2gbs s GLU 65 CO 0.02 0.60 1.33 0.42 -0.54 0.00 0.00 175.26 177.09 2gbs s ILE 66 N -0.55 3.91 -0.34 -3.70 -1.09 0.71 -2.17 121.20 117.98 2gbs s ILE 66 Ca 0.15 0.85 0.08 0.00 -2.23 0.00 0.00 60.65 59.50 2gbs s ILE 66 Cb -0.13 -4.46 0.61 0.00 -1.58 0.00 0.00 42.46 36.90 2gbs s ILE 66 CO 0.04 -1.09 1.69 2.30 -1.23 0.00 0.00 174.94 176.65 2gbs n ILE 67 N 6.88 2.83 -3.64 2.92 -5.35 0.87 -0.40 119.36 123.47 2gbs n ILE 67 Ca 0.13 -2.18 -0.06 0.00 -0.27 0.00 0.00 62.75 60.36 2gbs n ILE 67 Cb 0.49 -0.37 -0.07 0.00 -1.74 0.00 0.00 39.64 37.95 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 -3.19 0.31 0.94 6.28 3.52 -1.25 -4.86 118.95 120.71 2gbs s ARG 68 Ca 0.51 0.34 -0.12 0.00 -0.13 0.00 0.00 55.73 56.33 2gbs s ARG 68 Cb 0.43 0.15 0.16 0.00 -1.56 0.00 0.00 34.95 34.13 2gbs s ARG 68 CO 0.07 -0.04 1.09 -1.21 -0.81 0.00 0.00 175.30 174.39 2gbs s GLU 69 N 0.04 0.87 -0.26 5.12 8.01 -1.26 -3.87 118.70 127.35 2gbs s GLU 69 Ca 0.05 0.86 -0.29 0.00 0.01 0.00 0.00 54.97 55.60 2gbs s GLU 69 Cb -0.05 -1.76 -0.02 0.00 -4.31 0.00 0.00 34.13 27.99 2gbs s GLU 69 CO -0.10 -2.52 1.61 0.00 0.01 0.00 0.00 175.26 174.26 2gbs s ALA 70 N -2.85 3.19 0.27 5.21 0.00 -1.26 -4.63 121.76 121.70 2gbs s ALA 70 Ca 0.65 0.36 0.12 0.00 0.00 0.00 0.00 51.96 53.08 2gbs s ALA 70 Cb -0.19 -3.88 -0.05 0.00 0.00 0.00 0.00 23.12 19.00 2gbs s ALA 70 CO 0.58 -2.09 -0.20 1.52 0.00 0.00 0.00 175.76 175.58 2gbs s TYR 71 N 5.44 2.30 -0.19 0.00 1.13 -0.67 -4.86 117.35 120.50 2gbs s TYR 71 Ca 0.71 -0.33 -0.38 0.00 -1.41 0.00 0.00 57.07 55.66 2gbs s TYR 71 Cb -0.23 -1.01 -0.14 0.00 -1.10 0.00 0.00 41.96 39.48 2gbs s TYR 71 CO 0.30 0.70 1.78 -0.35 -2.51 0.00 0.00 175.55 175.46 2gbs n PRO 72 N -0.54 1.53 -1.71 -3.49 -0.04 -1.26 -0.68 135.00 128.81 2gbs n PRO 72 Ca -0.06 0.56 -0.42 0.00 -0.04 0.00 0.00 63.50 63.54 2gbs n PRO 72 Cb 0.60 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.72 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 3.58 6.46 0.10 3.54 -1.08 -0.50 -4.77 116.67 124.01 2gbs s ASP 73 Ca 0.96 2.65 0.13 0.00 -0.52 0.00 0.00 52.55 55.77 2gbs s ASP 73 Cb -0.93 -2.54 0.58 0.00 -1.46 0.00 0.00 42.92 38.57 2gbs s ASP 73 CO 0.60 -1.03 1.39 -0.81 0.52 0.00 0.00 175.17 175.83 2gbs n PRO 74 N 7.17 0.06 0.10 4.34 -0.04 -1.26 -1.24 135.00 144.12 2gbs n PRO 74 Ca 0.19 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 64.20 2gbs n PRO 74 Cb 0.41 -1.65 0.15 0.00 -0.04 0.00 0.00 33.50 32.37 2gbs n PRO 74 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2gbs h THR 75 N 0.00 0.00 -3.69 0.52 2.02 -1.97 -3.43 112.91 106.36 2gbs h THR 75 Ca 0.00 -0.68 -0.69 0.00 0.77 0.00 0.00 66.41 65.81 2gbs h THR 75 Cb 0.14 1.34 -0.33 0.00 -1.74 0.00 0.00 68.15 67.56 2gbs h THR 75 CO 0.00 0.00 -0.66 -0.62 0.37 0.00 0.00 175.52 174.61 2gbs s ASP 76 N -4.79 5.00 0.51 4.18 2.15 -0.38 -4.95 116.67 118.40 2gbs s ASP 76 Ca 0.05 -1.50 0.30 0.00 0.43 0.00 0.00 52.55 51.83 2gbs s ASP 76 Cb 0.11 -1.75 1.22 0.00 -0.30 0.00 0.00 42.92 42.21 2gbs s ASP 76 CO 0.72 -0.34 1.94 0.00 -0.17 0.00 0.00 175.17 177.31 2gbs h ALA 77 N 8.00 1.02 -0.20 3.66 0.00 -1.84 -2.67 119.26 127.23 2gbs h ALA 77 Ca -0.18 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 2gbs h ALA 77 Cb 1.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2gbs h ALA 77 CO 0.58 0.10 -0.11 1.03 0.00 0.00 0.00 179.25 180.84 2gbs h SER 78 N 0.00 0.30 -0.55 0.00 0.87 -1.92 -3.46 113.55 108.79 2gbs h SER 78 Ca -0.00 -0.06 -0.09 0.00 -1.23 0.00 0.00 61.79 60.40 2gbs h SER 78 Cb 0.58 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 2gbs h SER 78 CO 0.01 0.45 -0.11 0.61 -0.53 0.00 0.00 176.83 177.26 2gbs n GLY 79 N -0.83 0.32 0.13 5.77 0.00 -1.01 -4.94 105.19 104.62 2gbs n GLY 79 Ca -0.00 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 45.10 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 0.24 -6.25 1.61 3.64 -1.90 -3.47 116.57 110.43 2gbs h LYS 80 Ca -0.11 -0.40 -0.57 0.00 -1.27 0.00 0.00 60.65 58.30 2gbs h LYS 80 Cb 0.89 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.77 2gbs h LYS 80 CO 0.13 1.09 -0.61 -0.06 -2.27 0.00 0.00 179.45 177.73 2gbs s PHE 81 N -2.58 2.94 0.16 1.91 0.08 -1.26 -5.06 117.98 114.17 2gbs s PHE 81 Ca -0.16 -0.12 0.07 0.00 0.12 0.00 0.00 56.93 56.84 2gbs s PHE 81 Cb 0.07 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 2gbs s PHE 81 CO 0.81 0.54 -0.14 0.14 -0.10 0.00 0.00 175.22 176.46 2gbs s VAL 82 N -1.91 1.50 0.12 -0.44 -7.23 -1.26 -1.40 120.40 109.77 2gbs s VAL 82 Ca 0.30 -1.94 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 2gbs s VAL 82 Cb -0.09 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 2gbs s VAL 82 CO 0.21 -0.50 -0.10 0.00 -0.31 0.00 0.00 175.10 174.40 2gbs s VAL 84 N -2.83 2.48 -0.27 0.00 -7.23 -1.26 -1.67 120.40 109.62 2gbs s VAL 84 Ca 0.10 -2.17 -0.10 0.00 -1.81 0.00 0.00 61.98 58.00 2gbs s VAL 84 Cb -0.00 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2gbs s VAL 84 CO 0.00 -0.26 0.15 -0.62 -0.31 0.00 0.00 175.10 174.07 2gbs s ASP 85 N -3.62 5.74 -0.02 4.85 -1.08 -1.25 -0.23 116.67 121.07 2gbs s ASP 85 Ca 0.32 -0.07 0.06 0.00 -0.52 0.00 0.00 52.55 52.34 2gbs s ASP 85 Cb -0.00 -2.06 -0.02 0.00 -1.46 0.00 0.00 42.92 39.37 2gbs s ASP 85 CO 0.17 -0.05 -0.20 0.27 0.52 0.00 0.00 175.17 175.88 2gbs s ILE 86 N 1.71 2.56 -0.02 4.11 -4.36 0.78 -0.09 121.20 125.89 2gbs s ILE 86 Ca 0.07 -1.00 0.07 0.00 -0.26 0.00 0.00 60.65 59.53 2gbs s ILE 86 Cb -0.16 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.56 2gbs s ILE 86 CO 0.09 0.53 -0.23 -1.59 0.24 0.00 0.00 174.94 173.97 2gbs s LYS 87 N -0.85 1.93 -0.84 0.37 -2.85 -0.92 -0.78 119.74 115.80 2gbs s LYS 87 Ca 0.11 -0.83 -0.25 0.00 -1.00 0.00 0.00 55.97 54.00 2gbs s LYS 87 Cb -0.10 -1.84 -0.04 0.00 -2.06 0.00 0.00 37.83 33.78 2gbs s LYS 87 CO 0.01 0.49 1.93 0.00 0.10 0.00 0.00 175.35 177.88 2gbs s ALA 88 N -0.50 1.76 -0.13 0.59 0.00 -1.24 -2.19 121.76 120.04 2gbs s ALA 88 Ca 0.08 -1.34 -0.06 0.00 0.00 0.00 0.00 51.96 50.64 2gbs s ALA 88 Cb -0.09 -4.51 -0.03 0.00 0.00 0.00 0.00 23.12 18.49 2gbs s ALA 88 CO -0.01 -4.64 -0.05 0.22 0.00 0.00 0.00 175.76 171.29 2gbs h ASP 89 N 12.02 0.00 -3.21 0.00 3.58 -1.59 -3.43 116.42 123.79 2gbs h ASP 89 Ca 0.03 -0.06 -0.42 0.00 0.42 0.00 0.00 57.03 57.00 2gbs h ASP 89 Cb 1.04 0.00 -0.40 0.00 1.72 0.00 0.00 39.33 41.69 2gbs h ASP 89 CO 1.21 0.68 -0.75 -0.75 -2.88 0.00 0.00 179.24 176.75 2gbs s LYS 90 N -1.94 0.14 0.49 0.28 2.20 -1.14 -4.99 119.74 114.78 2gbs s LYS 90 Ca -0.09 0.12 -0.18 0.00 -0.36 0.00 0.00 55.97 55.46 2gbs s LYS 90 Cb 0.01 -1.15 -0.08 0.00 -1.51 0.00 0.00 37.83 35.09 2gbs s LYS 90 CO 0.15 -0.46 0.99 -2.14 -0.36 0.00 0.00 175.35 173.53 2gbs s PRO 91 N 2.10 3.96 0.28 4.03 0.02 -1.26 0.04 135.00 144.17 2gbs s PRO 91 Ca 0.03 1.07 -0.21 0.00 0.02 0.00 0.00 61.00 61.92 2gbs s PRO 91 Cb -0.14 -2.13 -0.09 0.00 0.02 0.00 0.00 34.50 32.16 2gbs s PRO 91 CO -0.06 -0.27 0.81 -0.51 -0.33 0.00 0.00 177.00 176.64 2gbs s LEU 92 N -3.77 4.28 0.36 -5.54 1.43 0.84 -4.91 118.68 111.37 2gbs s LEU 92 Ca 0.61 1.54 0.16 0.00 -1.03 0.00 0.00 54.13 55.42 2gbs s LEU 92 Cb -0.11 -3.84 0.68 0.00 0.03 0.00 0.00 46.19 42.95 2gbs s LEU 92 CO 0.25 -0.06 1.76 0.50 0.23 0.00 0.00 176.35 179.03 2gbs h LYS 93 N 3.09 0.00 -3.42 1.70 3.11 -1.72 -3.37 116.57 115.95 2gbs h LYS 93 Ca -0.48 0.00 -0.56 0.00 -2.81 0.00 0.00 60.65 56.80 2gbs h LYS 93 Cb 1.19 0.00 -0.40 0.00 -1.00 0.00 0.00 32.23 32.02 2gbs h LYS 93 CO 0.65 0.41 -0.76 0.99 -2.81 0.00 0.00 179.45 177.93 2gbs s THR 94 N -3.80 0.66 -0.03 1.00 2.01 0.24 -4.93 115.64 110.79 2gbs s THR 94 Ca -0.01 -1.16 -0.34 0.00 0.31 0.00 0.00 61.69 60.49 2gbs s THR 94 Cb 0.12 -1.45 -0.12 0.00 0.01 0.00 0.00 72.50 71.07 2gbs s THR 94 CO 0.70 -0.61 1.85 -2.65 -0.69 0.00 0.00 174.62 173.22 2gbs n PRO 95 N 4.95 2.28 -2.72 4.92 -0.02 -1.26 -4.39 135.00 138.75 2gbs n PRO 95 Ca -0.04 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 61.85 2gbs n PRO 95 Cb 0.43 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.19 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 3.62 4.13 0.74 -1.45 1.01 -0.69 -4.78 120.40 122.98 2gbs s VAL 96 Ca 0.90 0.28 -0.12 0.00 0.00 0.00 0.00 61.98 63.04 2gbs s VAL 96 Cb -0.65 -4.71 0.03 0.00 0.00 0.00 0.00 36.38 31.05 2gbs s VAL 96 CO 0.48 -1.43 1.12 0.42 0.00 0.00 0.00 175.10 175.69 2gbs s THR 97 N 4.63 3.07 0.47 3.92 -4.23 -1.26 -0.20 115.64 122.04 2gbs s THR 97 Ca 0.32 0.35 0.16 0.00 -1.18 0.00 0.00 61.69 61.33 2gbs s THR 97 Cb -0.11 -3.33 0.32 0.00 1.34 0.00 0.00 72.50 70.71 2gbs s THR 97 CO 0.17 -0.45 2.04 0.25 -0.54 0.00 0.00 174.62 176.09 2gbs h LEU 98 N -0.79 0.21 -0.89 4.79 5.85 -0.50 0.69 115.31 124.67 2gbs h LEU 98 Ca -0.45 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 2gbs h LEU 98 Cb 1.27 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.22 2gbs h LEU 98 CO 0.64 0.13 0.43 0.00 -0.34 0.00 0.00 178.44 179.31 2gbs h ALA 99 N 1.80 1.14 -0.14 1.25 0.00 -1.92 -0.29 119.26 121.09 2gbs h ALA 99 Ca 0.17 -0.15 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 2gbs h ALA 99 Cb 0.39 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2gbs h ALA 99 CO -0.03 0.66 -0.67 0.00 0.00 0.00 0.00 179.25 179.21 2gbs h ALA 100 N 1.25 0.55 -0.46 0.00 0.00 -1.35 -2.24 119.26 117.01 2gbs h ALA 100 Ca 0.30 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2gbs h ALA 100 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2gbs h ALA 100 CO -0.04 0.72 0.24 0.28 0.00 0.00 0.00 179.25 180.44 2gbs h VAL 101 N 0.41 1.15 -0.01 0.00 2.07 -0.48 -0.60 116.25 118.78 2gbs h VAL 101 Ca -0.02 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2gbs h VAL 101 Cb 1.25 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2gbs h VAL 101 CO 0.13 0.17 -0.12 0.29 0.02 0.00 0.00 177.57 178.05 2gbs n LYS 102 N -4.41 0.84 0.13 1.57 5.02 -0.16 -3.61 118.16 117.54 2gbs n LYS 102 Ca 0.04 -0.35 -0.23 0.00 -2.02 0.00 0.00 58.31 55.75 2gbs n LYS 102 Cb 0.11 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.47 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 3.73 -0.06 -2.39 7.82 0.00 -0.49 -3.42 119.26 124.45 2gbs h ALA 103 Ca 0.00 -0.93 -0.72 0.00 0.00 0.00 0.00 54.91 53.26 2gbs h ALA 103 Cb 0.38 0.21 -0.21 0.00 0.00 0.00 0.00 17.79 18.17 2gbs h ALA 103 CO 0.00 0.81 -0.34 -2.00 0.00 0.00 0.00 179.25 177.72 2gbs s GLU 104 N -2.60 3.00 0.60 0.00 2.56 -1.12 -4.95 118.70 116.18 2gbs s GLU 104 Ca -0.10 -1.11 0.29 0.00 0.00 0.00 0.00 54.97 54.06 2gbs s GLU 104 Cb 0.05 -4.04 1.57 0.00 2.00 0.00 0.00 34.13 33.71 2gbs s GLU 104 CO 0.92 -0.89 1.98 -1.00 -0.56 0.00 0.00 175.26 175.71 2gbs h PRO 105 N 8.71 0.00 -0.15 4.30 0.13 -1.82 0.11 132.00 143.27 2gbs h PRO 105 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.82 2gbs h PRO 105 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2gbs h PRO 105 CO 0.80 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.53 2gbs h ARG 106 N 0.00 0.23 0.00 0.86 3.08 -1.92 -1.65 114.38 114.97 2gbs h ARG 106 Ca 0.14 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2gbs h ARG 106 Cb 0.84 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.86 2gbs h ARG 106 CO -0.00 0.29 -0.34 1.28 -1.07 0.00 0.00 179.97 180.13 2gbs n LEU 107 N -4.36 0.64 0.23 3.04 4.77 0.37 -3.09 117.00 118.61 2gbs n LEU 107 Ca -0.01 0.34 0.11 0.00 -0.03 0.00 0.00 56.01 56.43 2gbs n LEU 107 Cb 0.20 -0.27 0.49 0.00 -2.33 0.00 0.00 43.42 41.51 2gbs n LEU 107 CO 0.37 -0.07 0.83 0.00 -1.33 0.00 0.00 177.39 177.19 2gbs h ALA 108 N 2.62 1.01 0.00 -1.18 0.00 -1.23 -2.19 119.26 118.28 2gbs h ALA 108 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2gbs h ALA 108 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2gbs h ALA 108 CO 0.00 0.22 -0.26 0.22 0.00 0.00 0.00 179.25 179.43 2gbs h ASP 109 N 0.00 0.00 -4.06 0.00 3.58 -1.50 -3.37 116.42 111.06 2gbs h ASP 109 Ca -0.00 -0.05 -0.49 0.00 0.42 0.00 0.00 57.03 56.90 2gbs h ASP 109 Cb 0.72 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.83 2gbs h ASP 109 CO 0.02 0.03 0.43 -0.32 -2.88 0.00 0.00 179.24 176.52 2gbs s MET 110 N -3.17 3.55 0.57 0.28 1.75 -0.83 -4.75 119.30 116.69 2gbs s MET 110 Ca 0.07 1.58 0.27 0.00 -1.25 0.00 0.00 55.69 56.36 2gbs s MET 110 Cb 0.10 -2.11 1.51 0.00 2.84 0.00 0.00 34.83 37.18 2gbs s MET 110 CO 0.67 -0.68 2.02 0.00 -0.65 0.00 0.00 175.02 176.37 2gbs h ALA 111 N 1.46 2.14 -0.89 4.11 0.00 -1.88 -0.69 119.26 123.51 2gbs h ALA 111 Ca -0.50 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.41 2gbs h ALA 111 Cb 1.25 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 2gbs h ALA 111 CO 0.58 -0.51 0.59 1.25 0.00 0.00 0.00 179.25 181.16 2gbs h LEU 112 N 0.00 1.01 0.03 0.00 5.85 -1.87 0.12 115.31 120.46 2gbs h LEU 112 Ca 0.17 -0.02 -0.31 0.00 0.84 0.00 0.00 57.88 58.55 2gbs h LEU 112 Cb 0.81 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.55 2gbs h LEU 112 CO -0.00 0.72 -1.80 0.80 -0.34 0.00 0.00 178.44 177.83 2gbs n MET 113 N -4.48 0.67 0.20 1.25 1.56 -0.39 -3.66 117.12 112.27 2gbs n MET 113 Ca 0.10 0.28 -0.12 0.00 -0.27 0.00 0.00 57.70 57.69 2gbs n MET 113 Cb 0.03 -1.77 -0.07 0.00 2.15 0.00 0.00 33.22 33.56 2gbs n MET 113 CO 0.00 0.00 0.00 0.87 -0.73 0.00 0.00 175.97 176.11 2gbs h LYS 114 N 0.02 -0.52 -2.92 2.12 1.79 -1.09 -3.40 116.57 112.57 2gbs h LYS 114 Ca -0.33 0.04 -0.61 0.00 -2.18 0.00 0.00 60.65 57.57 2gbs h LYS 114 Cb 2.02 0.12 -0.40 0.00 -1.58 0.00 0.00 32.23 32.39 2gbs h LYS 114 CO 0.08 -0.21 -0.73 0.71 -1.08 0.00 0.00 179.45 178.22 2gbs s TYR 115 N -4.26 2.32 -0.84 -1.35 2.02 0.41 -4.93 117.35 110.73 2gbs s TYR 115 Ca -0.13 -2.70 0.20 0.00 -0.37 0.00 0.00 57.07 54.07 2gbs s TYR 115 Cb 0.02 -1.99 0.83 0.00 -0.40 0.00 0.00 41.96 40.42 2gbs s TYR 115 CO 0.45 -0.72 1.63 0.43 -1.57 0.00 0.00 175.55 175.77 2gbs n SER 116 N 2.96 0.25 0.08 2.29 7.64 -1.24 -2.24 113.62 123.36 2gbs n SER 116 Ca 0.15 0.55 -0.02 0.00 1.01 0.00 0.00 58.87 60.57 2gbs n SER 116 Cb 0.37 -0.61 0.24 0.00 -1.01 0.00 0.00 64.21 63.20 2gbs n SER 116 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2gbs h ARG 117 N 0.00 0.29 -6.28 1.43 2.47 -1.91 -3.42 114.38 106.96 2gbs h ARG 117 Ca 0.00 -0.12 -0.57 0.00 -1.26 0.00 0.00 59.98 58.03 2gbs h ARG 117 Cb 0.36 -0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.65 2gbs h ARG 117 CO 0.00 0.61 1.17 -1.17 0.56 0.00 0.00 179.97 181.13 2gbs s LEU 118 N -8.39 3.81 -0.00 3.04 2.96 -0.95 -4.92 118.68 114.22 2gbs s LEU 118 Ca -0.05 1.56 -0.17 0.00 -0.22 0.00 0.00 54.13 55.25 2gbs s LEU 118 Cb 0.14 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 43.20 2gbs s LEU 118 CO 0.77 -1.37 0.85 -1.28 -1.32 0.00 0.00 176.35 174.00 2gbs h SER 119 N 11.26 -0.52 -3.38 3.68 0.87 -1.88 -3.41 113.55 120.16 2gbs h SER 119 Ca -0.34 0.02 -0.67 0.00 -1.23 0.00 0.00 61.79 59.57 2gbs h SER 119 Cb 1.16 0.14 -0.17 0.00 -0.44 0.00 0.00 62.40 63.09 2gbs h SER 119 CO 1.01 -0.22 0.09 -0.69 -0.53 0.00 0.00 176.83 176.49 2gbs s VAL 120 N -3.70 4.84 -0.05 2.23 1.01 -1.25 -3.13 120.40 120.35 2gbs s VAL 120 Ca -0.09 -0.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 2gbs s VAL 120 Cb 0.01 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2gbs s VAL 120 CO 0.27 -0.73 0.05 -1.10 0.00 0.00 0.00 175.10 173.59 2gbs s GLN 121 N 2.75 3.04 -0.20 2.72 -0.21 0.28 -4.81 119.66 123.23 2gbs s GLN 121 Ca 0.18 -0.43 -0.27 0.00 0.02 0.00 0.00 55.36 54.86 2gbs s GLN 121 Cb -0.17 -2.85 -0.00 0.00 1.00 0.00 0.00 33.01 30.99 2gbs s GLN 121 CO 0.15 0.68 0.94 -1.25 -2.12 0.00 0.00 175.29 173.69 2gbs s PRO 122 N -1.32 4.28 -0.11 2.91 0.05 -1.26 -0.96 135.00 138.59 2gbs s PRO 122 Ca 0.18 1.20 -0.01 0.00 0.05 0.00 0.00 61.00 62.43 2gbs s PRO 122 Cb -0.12 -3.61 -0.02 0.00 0.05 0.00 0.00 34.50 30.80 2gbs s PRO 122 CO 0.08 -0.48 -0.08 0.08 0.05 0.00 0.00 177.00 176.65 2gbs s VAL 123 N 2.67 3.51 0.75 -0.36 1.01 -0.51 -4.83 120.40 122.64 2gbs s VAL 123 Ca 0.42 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.79 2gbs s VAL 123 Cb -0.16 -2.47 0.07 0.00 0.00 0.00 0.00 36.38 33.82 2gbs s VAL 123 CO 0.10 0.54 1.09 0.42 0.00 0.00 0.00 175.10 177.25 2gbs s THR 124 N -0.11 2.16 0.10 3.92 -4.23 -1.26 -3.98 115.64 112.23 2gbs s THR 124 Ca 0.00 -0.16 -0.24 0.00 -1.18 0.00 0.00 61.69 60.11 2gbs s THR 124 Cb -0.13 -2.99 -0.10 0.00 1.34 0.00 0.00 72.50 70.61 2gbs s THR 124 CO 0.03 0.00 1.69 0.00 -0.54 0.00 0.00 174.62 175.80 2gbs h ALA 125 N -0.81 -0.17 -0.14 3.99 0.00 -1.99 -1.04 119.26 119.09 2gbs h ALA 125 Ca -0.45 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 2gbs h ALA 125 Cb 1.32 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 2gbs h ALA 125 CO 0.61 -0.62 -0.52 1.49 0.00 0.00 0.00 179.25 180.22 2gbs h GLU 126 N -0.22 0.40 -0.09 0.00 4.22 -1.97 0.15 114.58 117.07 2gbs h GLU 126 Ca 0.02 -0.24 -0.01 0.00 0.08 0.00 0.00 59.36 59.22 2gbs h GLU 126 Cb 0.24 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2gbs h GLU 126 CO -0.07 0.82 0.03 0.93 -2.18 0.00 0.00 179.01 178.54 2gbs h GLU 127 N 0.32 0.13 -0.08 1.92 5.08 -1.92 -0.29 114.58 119.73 2gbs h GLU 127 Ca 0.01 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2gbs h GLU 127 Cb 1.02 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 2gbs h GLU 127 CO 0.09 0.29 -0.07 2.35 -1.00 0.00 0.00 179.01 180.67 2gbs h TRP 128 N -0.05 -0.17 0.00 4.33 2.91 -0.95 -1.88 115.95 120.14 2gbs h TRP 128 Ca 0.03 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.05 2gbs h TRP 128 Cb 0.22 0.09 -0.00 0.00 -0.51 0.00 0.00 29.16 28.95 2gbs h TRP 128 CO -0.00 -0.11 -0.02 0.87 -1.03 0.00 0.00 178.44 178.14 2gbs h LYS 129 N -0.08 0.00 0.08 2.65 1.79 -0.60 -1.73 116.57 118.67 2gbs h LYS 129 Ca 0.06 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.52 2gbs h LYS 129 Cb 0.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.82 2gbs h LYS 129 CO -0.14 0.02 -0.04 1.25 -1.08 0.00 0.00 179.45 179.47 2gbs h LEU 130 N 0.00 -0.09 -1.31 2.94 5.85 -0.40 -2.55 115.31 119.75 2gbs h LEU 130 Ca -0.00 -0.52 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 2gbs h LEU 130 Cb 0.05 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 2gbs h LEU 130 CO 0.00 0.54 0.37 0.58 -0.34 0.00 0.00 178.44 179.59 2gbs h VAL 131 N -0.80 1.18 0.48 1.05 2.07 -1.10 0.17 116.25 119.30 2gbs h VAL 131 Ca -0.01 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2gbs h VAL 131 Cb 0.60 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2gbs h VAL 131 CO 0.02 0.19 -0.23 0.00 0.02 0.00 0.00 177.57 177.57 2gbs h LYS 133 N -0.68 0.00 0.00 0.00 2.10 -1.01 -1.61 116.57 115.37 2gbs h LYS 133 Ca -0.07 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.45 2gbs h LYS 133 Cb 0.51 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.82 2gbs h LYS 133 CO 0.11 0.20 -0.63 1.98 -2.00 0.00 0.00 179.45 179.11 2gbs h MET 134 N 0.00 0.00 -1.12 0.07 4.05 -0.43 -3.25 114.93 114.25 2gbs h MET 134 Ca -0.00 0.00 -0.25 0.00 -0.28 0.00 0.00 59.70 59.17 2gbs h MET 134 Cb 0.53 0.00 -0.14 0.00 -0.80 0.00 0.00 31.60 31.19 2gbs h MET 134 CO 0.03 0.63 0.32 0.41 0.23 0.00 0.00 176.91 178.52 2gbs n GLY 135 N 0.92 3.31 3.13 1.39 0.00 0.29 -4.81 105.19 109.42 2gbs n GLY 135 Ca 0.01 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.21 1.34 -0.02 0.00 -1.23 -0.59 105.19 104.39 2gbs n GLY 136 Ca 0.27 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.00 3.92 -0.01 0.99 7.94 -1.07 -4.32 117.00 120.44 2gbs n LEU 137 Ca 0.01 -4.32 0.03 0.00 -1.11 0.00 0.00 56.01 50.62 2gbs n LEU 137 Cb 0.55 -0.45 -0.04 0.00 0.53 0.00 0.00 43.42 44.01 2gbs n LEU 137 CO 0.50 1.75 0.00 -0.11 -1.11 0.00 0.00 177.39 178.42 2gbs n LEU 138 N -0.92 0.40 0.00 -1.96 7.94 -1.26 -4.50 117.00 116.70 2gbs n LEU 138 Ca 0.32 -0.52 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 2gbs n LEU 138 Cb 0.84 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.79 2gbs n LEU 138 CO 0.20 0.10 0.27 -0.62 -1.11 0.00 0.00 177.39 176.23 2gbs n GLU 139 N -1.10 0.00 -0.04 1.96 4.71 -1.26 -4.53 120.64 120.38 2gbs n GLU 139 Ca 0.02 0.08 0.02 0.00 -0.01 0.00 0.00 57.16 57.26 2gbs n GLU 139 Cb 0.12 -1.05 -0.14 0.00 -1.01 0.00 0.00 31.44 29.36 2gbs n GLU 139 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 2gbs n HIS 140 N -0.75 0.00 0.00 -0.32 8.25 -1.26 -5.00 115.22 116.14 2gbs n HIS 140 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2gbs n HIS 140 Cb 0.00 -0.59 0.00 0.00 1.12 0.00 0.00 29.99 30.52 2gbs n HIS 140 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2gbs n HIS 141 N -2.34 0.00 0.00 4.41 8.25 -1.26 -3.32 115.22 120.96 2gbs n HIS 141 Ca -0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.32 2gbs n HIS 141 Cb 0.72 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.83 2gbs n HIS 141 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2gbs n HIS 142 N 0.00 -0.56 -4.45 4.41 -0.00 -1.26 -5.08 115.22 108.27 2gbs n HIS 142 Ca 0.00 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.92 2gbs n HIS 142 Cb 0.00 0.14 -0.10 0.00 -0.12 0.00 0.00 29.99 29.91 2gbs n HIS 142 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2gbs s HIS 143 N -1.28 2.52 0.00 1.57 0.00 -1.21 -5.09 115.29 111.80 2gbs s HIS 143 Ca 0.00 -0.57 0.00 0.00 -3.00 0.00 0.00 55.06 51.49 2gbs s HIS 143 Cb 0.00 -1.67 0.00 0.00 -4.00 0.00 0.00 32.58 26.91 2gbs s HIS 143 CO 0.00 0.43 0.85 1.58 -1.00 0.00 0.00 174.74 176.60 2gbs n HIS 144 N -0.98 0.00 0.00 0.38 -0.00 -1.26 -4.90 115.22 108.45 2gbs n HIS 144 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2gbs n HIS 144 Cb 0.65 -0.35 0.00 0.00 -0.12 0.00 0.00 29.99 30.17 2gbs n HIS 144 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41