#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gbs s ALA 2 N 0.00 3.15 -0.01 3.52 0.00 -1.26 -4.86 121.76 122.30 2gbs s ALA 2 Ca 0.00 0.34 0.07 0.00 0.00 0.00 0.00 51.96 52.37 2gbs s ALA 2 Cb 0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2gbs s ALA 2 CO 0.00 0.19 -0.21 0.71 0.00 0.00 0.00 175.76 176.45 2gbs s TYR 3 N -2.00 2.49 0.23 0.00 2.02 -1.20 -1.47 117.35 117.41 2gbs s TYR 3 Ca 0.57 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.96 2gbs s TYR 3 Cb -0.11 -1.51 -0.05 0.00 -0.40 0.00 0.00 41.96 39.88 2gbs s TYR 3 CO 0.16 0.11 0.10 -1.58 -1.57 0.00 0.00 175.55 172.77 2gbs s TRP 4 N -0.74 1.36 -0.06 2.71 0.52 0.11 0.03 118.94 122.87 2gbs s TRP 4 Ca 0.12 -1.24 -0.00 0.00 0.02 0.00 0.00 56.10 54.99 2gbs s TRP 4 Cb -0.10 -0.75 0.03 0.00 -1.15 0.00 0.00 33.47 31.49 2gbs s TRP 4 CO 0.01 -0.44 -0.01 -1.17 0.02 0.00 0.00 176.95 175.36 2gbs s LEU 5 N -3.24 0.88 -0.09 2.99 0.20 0.25 -0.46 118.68 119.22 2gbs s LEU 5 Ca 0.37 -0.09 0.01 0.00 0.69 0.00 0.00 54.13 55.10 2gbs s LEU 5 Cb 0.07 -0.42 -0.03 0.00 -0.43 0.00 0.00 46.19 45.38 2gbs s LEU 5 CO 0.12 -0.14 -0.09 0.68 -0.29 0.00 0.00 176.35 176.63 2gbs s VAL 6 N 1.55 3.48 -0.25 1.68 -7.23 -0.73 -1.06 120.40 117.84 2gbs s VAL 6 Ca -0.01 -0.55 -0.10 0.00 -1.81 0.00 0.00 61.98 59.51 2gbs s VAL 6 Cb -0.13 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 2gbs s VAL 6 CO -0.03 0.57 0.15 -0.54 -0.31 0.00 0.00 175.10 174.93 2gbs s LYS 7 N -0.43 3.93 0.08 4.82 1.02 -0.99 -2.34 119.74 125.84 2gbs s LYS 7 Ca 0.06 -0.34 -0.00 0.00 0.02 0.00 0.00 55.97 55.71 2gbs s LYS 7 Cb -0.12 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.63 2gbs s LYS 7 CO 0.02 -0.07 -0.02 0.45 -0.92 0.00 0.00 175.35 174.81 2gbs s SER 8 N 1.39 0.67 -0.02 2.83 0.15 -0.34 -4.95 113.70 113.42 2gbs s SER 8 Ca 0.07 -1.05 0.06 0.00 0.70 0.00 0.00 55.95 55.72 2gbs s SER 8 Cb -0.15 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.32 2gbs s SER 8 CO 0.07 -0.59 -0.19 -1.61 1.20 0.00 0.00 173.24 172.12 2gbs s GLU 9 N -3.92 2.29 0.29 5.44 2.02 -1.26 -0.16 118.70 123.40 2gbs s GLU 9 Ca 0.12 -0.83 0.24 0.00 0.02 0.00 0.00 54.97 54.53 2gbs s GLU 9 Cb 0.07 -2.23 1.05 0.00 0.10 0.00 0.00 34.13 33.13 2gbs s GLU 9 CO -0.06 0.59 1.73 -1.00 0.02 0.00 0.00 175.26 176.54 2gbs h PRO 10 N 5.24 0.00 -0.13 0.39 0.13 -1.83 -1.61 132.00 134.20 2gbs h PRO 10 Ca -0.46 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 2gbs h PRO 10 Cb 1.14 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2gbs h PRO 10 CO 0.49 0.00 -0.35 0.77 -0.23 0.00 0.00 178.00 178.68 2gbs h SER 11 N 0.00 0.26 0.00 1.44 0.02 -1.94 -3.36 113.55 109.97 2gbs h SER 11 Ca 0.00 -0.10 -0.25 0.00 -0.84 0.00 0.00 61.79 60.61 2gbs h SER 11 Cb 0.32 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.75 2gbs h SER 11 CO 0.00 0.60 -1.67 0.52 -1.14 0.00 0.00 176.83 175.13 2gbs n VAL 12 N -4.08 1.51 -4.20 2.27 0.31 -0.73 -5.00 118.33 108.41 2gbs n VAL 12 Ca -0.01 -0.11 -0.17 0.00 -0.01 0.00 0.00 64.34 64.04 2gbs n VAL 12 Cb 0.43 -2.10 -0.15 0.00 -0.91 0.00 0.00 33.84 31.12 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 -2.57 0.58 0.20 3.52 -0.11 -0.69 -5.09 118.94 114.79 2gbs s TRP 13 Ca -0.32 -0.11 0.06 0.00 1.22 0.00 0.00 56.10 56.95 2gbs s TRP 13 Cb 0.09 -0.40 -0.04 0.00 -1.50 0.00 0.00 33.47 31.62 2gbs s TRP 13 CO 0.46 -0.03 0.15 -1.54 -4.62 0.00 0.00 176.95 171.37 2gbs s SER 14 N 0.02 5.46 0.18 5.86 1.04 -1.26 -3.75 113.70 121.24 2gbs s SER 14 Ca 0.00 -0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.19 2gbs s SER 14 Cb -0.04 -1.39 0.06 0.00 0.10 0.00 0.00 66.02 64.75 2gbs s SER 14 CO -0.00 0.02 1.46 -0.25 0.98 0.00 0.00 173.24 175.45 2gbs h TRP 15 N 2.04 0.67 -0.30 5.02 -0.00 -1.97 -3.16 115.95 118.24 2gbs h TRP 15 Ca -0.48 -0.27 0.03 0.00 -0.00 0.00 0.00 58.89 58.18 2gbs h TRP 15 Cb 1.22 -0.11 -0.03 0.00 -0.00 0.00 0.00 29.16 30.23 2gbs h TRP 15 CO 0.57 1.02 0.10 0.22 -0.00 0.00 0.00 178.44 180.35 2gbs h ASP 16 N 0.37 0.10 0.00 2.65 3.58 -2.00 -0.45 116.42 120.67 2gbs h ASP 16 Ca -0.01 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 2gbs h ASP 16 Cb 1.21 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 2gbs h ASP 16 CO 0.12 0.09 -0.14 1.56 -2.88 0.00 0.00 179.24 177.99 2gbs h GLN 17 N 0.23 0.29 -0.26 0.28 4.20 -2.00 -2.27 115.11 115.58 2gbs h GLN 17 Ca 0.14 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 2gbs h GLN 17 Cb 0.11 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.84 2gbs h GLN 17 CO -0.14 0.44 -0.41 0.37 -0.67 0.00 0.00 178.83 178.41 2gbs h GLN 18 N 0.27 0.62 -0.74 1.46 5.75 -1.26 -2.47 115.11 118.74 2gbs h GLN 18 Ca 0.05 -0.32 -0.06 0.00 -0.15 0.00 0.00 58.65 58.18 2gbs h GLN 18 Cb 0.42 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2gbs h GLN 18 CO 0.02 0.92 0.24 0.28 -2.65 0.00 0.00 178.83 177.65 2gbs h VAL 19 N 0.51 1.26 0.00 2.39 2.07 -0.58 -1.06 116.25 120.83 2gbs h VAL 19 Ca 0.04 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.68 2gbs h VAL 19 Cb 0.93 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.12 2gbs h VAL 19 CO 0.08 0.35 0.00 0.00 0.02 0.00 0.00 177.57 178.02 2gbs h ALA 20 N 1.17 1.00 -0.44 1.67 0.00 -1.22 -1.10 119.26 120.33 2gbs h ALA 20 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 2gbs h ALA 20 Cb 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2gbs h ALA 20 CO -0.01 0.00 0.01 1.63 0.00 0.00 0.00 179.25 180.88 2gbs n LYS 21 N -2.66 3.95 -0.31 0.00 5.02 -0.47 -4.65 118.16 119.05 2gbs n LYS 21 Ca 0.01 -3.03 -0.00 0.00 -2.02 0.00 0.00 58.31 53.27 2gbs n LYS 21 Cb 0.23 -2.08 0.12 0.00 -0.02 0.00 0.00 35.03 33.29 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 2.93 1.25 -1.79 0.72 0.00 -0.51 0.18 103.07 105.85 2gbs h GLY 22 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.95 2gbs h GLY 22 CO 0.39 0.30 0.00 0.00 0.00 0.00 0.00 176.54 177.23 2gbs n ALA 23 N -2.35 2.44 -0.02 3.60 0.00 -1.26 -4.01 120.51 118.92 2gbs n ALA 23 Ca 0.11 -0.85 -0.04 0.00 0.00 0.00 0.00 53.44 52.66 2gbs n ALA 23 Cb 0.14 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.61 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 1.01 1.89 0.00 0.00 0.00 -0.38 -5.15 120.51 117.87 2gbs n ALA 24 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2gbs n ALA 24 Cb 0.47 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 2.50 0.63 3.19 0.00 0.00 0.48 -4.98 105.19 107.01 2gbs n GLY 25 Ca -0.06 -1.59 -0.19 0.00 0.00 0.00 0.00 46.02 44.18 2gbs n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2gbs s GLU 26 N -4.14 0.88 -0.46 1.61 0.41 -0.52 -4.89 118.70 111.58 2gbs s GLU 26 Ca 0.00 -1.00 -0.27 0.00 -0.41 0.00 0.00 54.97 53.29 2gbs s GLU 26 Cb 0.00 -0.92 0.03 0.00 -1.78 0.00 0.00 34.13 31.46 2gbs s GLU 26 CO 0.00 0.21 1.02 0.00 -0.49 0.00 0.00 175.26 175.99 2gbs s ALA 27 N -1.29 3.21 -1.10 5.21 0.00 -1.26 -1.03 121.76 125.49 2gbs s ALA 27 Ca -0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 51.96 51.13 2gbs s ALA 27 Cb -0.10 -3.75 0.11 0.00 0.00 0.00 0.00 23.12 19.38 2gbs s ALA 27 CO 0.03 -2.13 1.42 -0.46 0.00 0.00 0.00 175.76 174.62 2gbs s TRP 28 N 4.04 2.98 0.21 0.00 -0.11 0.67 -4.95 118.94 121.78 2gbs s TRP 28 Ca 0.42 -1.48 0.03 0.00 1.22 0.00 0.00 56.10 56.29 2gbs s TRP 28 Cb -0.09 -4.51 0.03 0.00 -1.50 0.00 0.00 33.47 27.40 2gbs s TRP 28 CO 0.28 -1.66 0.23 -2.37 -4.62 0.00 0.00 176.95 168.82 2gbs n THR 29 N 5.86 0.00 -0.81 5.86 5.66 -1.26 -3.76 114.28 125.83 2gbs n THR 29 Ca 0.35 -0.77 0.00 0.00 -3.05 0.00 0.00 64.05 60.58 2gbs n THR 29 Cb 0.47 -0.59 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 2gbs n THR 29 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2gbs n GLY 30 N 2.41 1.17 3.57 1.09 0.00 -1.26 -5.02 105.19 107.15 2gbs n GLY 30 Ca 0.03 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 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 3.63 -2.49 1.61 -7.23 -1.26 -4.82 120.40 107.83 2gbs s VAL 31 Ca 0.00 0.52 0.23 0.00 -1.81 0.00 0.00 61.98 60.91 2gbs s VAL 31 Cb 0.00 -4.19 0.37 0.00 0.56 0.00 0.00 36.38 33.12 2gbs s VAL 31 CO 0.00 -0.99 1.36 0.54 -0.31 0.00 0.00 175.10 175.69 2gbs n ARG 32 N 8.77 2.43 -4.34 4.82 1.74 -1.26 -4.83 116.66 123.99 2gbs n ARG 32 Ca 0.16 -2.20 -0.20 0.00 -0.77 0.00 0.00 57.85 54.84 2gbs n ARG 32 Cb 0.50 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.31 2gbs n ARG 32 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2gbs s ASN 33 N -1.54 1.62 0.46 0.55 2.20 -1.26 -5.04 114.94 111.93 2gbs s ASN 33 Ca 0.36 -0.45 0.25 0.00 -0.94 0.00 0.00 52.86 52.08 2gbs s ASN 33 Cb 0.22 -0.10 0.69 0.00 -2.00 0.00 0.00 41.25 40.06 2gbs s ASN 33 CO 0.31 0.03 1.73 0.45 -2.94 0.00 0.00 177.10 176.68 2gbs h HIS 34 N 4.94 0.00 -0.39 1.54 3.86 -2.00 -3.04 115.15 120.06 2gbs h HIS 34 Ca -0.38 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 58.78 2gbs h HIS 34 Cb 1.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.64 2gbs h HIS 34 CO 0.53 0.09 0.04 1.03 0.86 0.00 0.00 177.93 180.48 2gbs h SER 35 N 0.00 0.64 -0.58 2.45 0.87 -1.99 -1.42 113.55 113.52 2gbs h SER 35 Ca -0.00 -0.28 -0.04 0.00 -1.23 0.00 0.00 61.79 60.25 2gbs h SER 35 Cb 0.86 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.62 2gbs h SER 35 CO 0.01 0.75 0.24 0.00 -0.53 0.00 0.00 176.83 177.30 2gbs h ALA 36 N 0.90 1.27 -0.19 6.23 0.00 -1.84 -2.16 119.26 123.47 2gbs h ALA 36 Ca 0.12 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2gbs h ALA 36 Cb 0.40 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2gbs h ALA 36 CO 0.01 0.54 0.08 -0.22 0.00 0.00 0.00 179.25 179.66 2gbs h LYS 37 N 0.88 0.17 -0.36 0.00 3.64 -1.35 0.11 116.57 119.67 2gbs h LYS 37 Ca 0.21 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2gbs h LYS 37 Cb 0.18 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 2gbs h LYS 37 CO -0.02 0.11 0.12 -0.07 -2.27 0.00 0.00 179.45 177.32 2gbs h LEU 38 N 0.17 0.46 -0.41 5.20 4.07 -0.93 0.36 115.31 124.22 2gbs h LEU 38 Ca 0.08 -0.05 -0.18 0.00 0.08 0.00 0.00 57.88 57.81 2gbs h LEU 38 Cb 0.03 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 2gbs h LEU 38 CO -0.07 0.44 -0.76 0.45 -1.08 0.00 0.00 178.44 177.42 2gbs h HIS 39 N 0.50 0.40 -0.20 1.13 3.86 -0.96 -3.05 115.15 116.84 2gbs h HIS 39 Ca 0.12 -0.19 -0.14 0.00 -1.16 0.00 0.00 60.37 59.00 2gbs h HIS 39 Cb 0.15 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 2gbs h HIS 39 CO 0.01 0.94 -0.47 1.98 0.86 0.00 0.00 177.93 181.24 2gbs h MET 40 N 0.19 0.51 0.00 2.45 1.85 0.31 -2.42 114.93 117.81 2gbs h MET 40 Ca -0.03 -0.28 -0.00 0.00 -0.61 0.00 0.00 59.70 58.77 2gbs h MET 40 Cb 1.34 0.02 -0.00 0.00 0.43 0.00 0.00 31.60 33.38 2gbs h MET 40 CO 0.12 0.87 -0.02 0.28 -0.40 0.00 0.00 176.91 177.77 2gbs h VAL 41 N 0.41 0.06 0.00 -5.77 2.07 -0.96 -1.84 116.25 110.22 2gbs h VAL 41 Ca 0.02 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2gbs h VAL 41 Cb 0.98 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 2gbs h VAL 41 CO 0.09 0.02 -0.26 0.00 0.02 0.00 0.00 177.57 177.43 2gbs n ALA 42 N -2.11 2.66 -1.77 1.67 0.00 -0.92 -4.86 120.51 115.18 2gbs n ALA 42 Ca -0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 2gbs n ALA 42 Cb 0.27 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 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 -3.09 4.40 0.23 0.00 -1.94 -0.69 -5.01 119.30 113.20 2gbs s MET 43 Ca 0.10 2.16 0.09 0.00 -1.71 0.00 0.00 55.69 56.32 2gbs s MET 43 Cb 0.15 -3.09 -0.05 0.00 2.01 0.00 0.00 34.83 33.85 2gbs s MET 43 CO 0.64 -0.13 -0.15 0.50 -0.01 0.00 0.00 175.02 175.87 2gbs s ARG 44 N -1.72 1.44 0.11 2.03 3.52 -1.26 -4.32 118.95 118.76 2gbs s ARG 44 Ca 0.48 -1.66 -0.31 0.00 -0.13 0.00 0.00 55.73 54.11 2gbs s ARG 44 Cb -0.39 -1.29 -0.09 0.00 -1.56 0.00 0.00 34.95 31.63 2gbs s ARG 44 CO 0.51 0.20 1.52 0.50 -0.81 0.00 0.00 175.30 177.23 2gbs s ARG 45 N -3.62 4.25 0.00 5.12 3.52 -1.26 -1.73 118.95 125.23 2gbs s ARG 45 Ca 0.25 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 58.09 2gbs s ARG 45 Cb -0.01 -3.32 0.00 0.00 -1.56 0.00 0.00 34.95 30.06 2gbs s ARG 45 CO 0.09 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 2gbs n GLY 46 N 3.72 0.68 3.81 8.12 0.00 0.13 -4.67 105.19 116.99 2gbs n GLY 46 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.69 6.56 -0.09 1.61 1.11 -0.71 -0.74 116.67 121.73 2gbs s ASP 47 Ca 0.00 1.76 0.04 0.00 0.18 0.00 0.00 52.55 54.53 2gbs s ASP 47 Cb 0.00 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.44 2gbs s ASP 47 CO 0.00 -0.63 -0.20 -0.13 1.18 0.00 0.00 175.17 175.39 2gbs s ARG 48 N -3.45 2.92 0.08 8.23 1.81 -0.54 -0.46 118.95 127.54 2gbs s ARG 48 Ca 0.63 -0.82 0.07 0.00 -1.72 0.00 0.00 55.73 53.90 2gbs s ARG 48 Cb -0.12 -2.35 -0.03 0.00 -0.45 0.00 0.00 34.95 31.99 2gbs s ARG 48 CO 0.21 0.30 -0.19 0.00 -0.68 0.00 0.00 175.30 174.95 2gbs s ALA 49 N 0.06 1.58 -0.07 2.13 0.00 0.59 0.07 121.76 126.12 2gbs s ALA 49 Ca -0.09 -1.13 -0.20 0.00 0.00 0.00 0.00 51.96 50.55 2gbs s ALA 49 Cb -0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 2gbs s ALA 49 CO 0.05 0.30 0.55 -0.06 0.00 0.00 0.00 175.76 176.61 2gbs s PHE 50 N -1.13 3.58 -0.62 0.00 0.08 0.40 -0.25 117.98 120.03 2gbs s PHE 50 Ca 0.04 1.06 -0.21 0.00 0.12 0.00 0.00 56.93 57.94 2gbs s PHE 50 Cb -0.10 -2.61 0.08 0.00 -0.57 0.00 0.00 43.02 39.83 2gbs s PHE 50 CO 0.03 0.23 0.84 -0.47 -0.10 0.00 0.00 175.22 175.75 2gbs s TYR 51 N 0.35 2.83 -0.15 0.36 5.04 0.01 -1.77 117.35 124.03 2gbs s TYR 51 Ca 0.30 -0.72 -0.03 0.00 -2.44 0.00 0.00 57.07 54.18 2gbs s TYR 51 Cb -0.17 -4.14 -0.03 0.00 0.35 0.00 0.00 41.96 37.98 2gbs s TYR 51 CO 0.14 -1.47 -0.06 -0.47 -1.34 0.00 0.00 175.55 172.35 2gbs s TYR 52 N 3.42 2.98 -0.29 4.97 5.04 -0.99 -2.09 117.35 130.39 2gbs s TYR 52 Ca 0.17 -0.34 -0.15 0.00 -2.44 0.00 0.00 57.07 54.31 2gbs s TYR 52 Cb -0.20 -1.92 -0.03 0.00 0.35 0.00 0.00 41.96 40.16 2gbs s TYR 52 CO 0.09 -0.05 0.36 -1.01 -1.34 0.00 0.00 175.55 173.60 2gbs s HIS 53 N 0.29 3.23 0.41 4.97 3.76 -0.85 -1.20 115.29 125.90 2gbs s HIS 53 Ca -0.05 0.27 -0.10 0.00 -0.15 0.00 0.00 55.06 55.03 2gbs s HIS 53 Cb -0.14 -2.59 -0.06 0.00 1.11 0.00 0.00 32.58 30.89 2gbs s HIS 53 CO 0.03 -0.29 0.77 -1.12 -0.85 0.00 0.00 174.74 173.29 2gbs s SER 54 N 1.68 6.51 0.00 1.40 0.01 0.77 -0.86 113.70 123.21 2gbs s SER 54 Ca 0.14 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.53 2gbs s SER 54 Cb -0.16 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2gbs s SER 54 CO 0.11 -0.41 0.00 0.59 0.41 0.00 0.00 173.24 173.93 2gbs n ASN 55 N -1.36 0.00 -4.61 2.44 3.02 -1.26 -4.65 115.26 108.84 2gbs n ASN 55 Ca 0.02 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.15 2gbs n ASN 55 Cb 0.54 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.68 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 3.89 0.00 3.52 0.41 -1.26 -4.11 118.70 121.15 2gbs s GLU 56 Ca 0.00 0.73 0.00 0.00 -0.41 0.00 0.00 54.97 55.29 2gbs s GLU 56 Cb 0.00 -3.80 0.00 0.00 -1.78 0.00 0.00 34.13 28.55 2gbs s GLU 56 CO 0.00 -1.01 0.00 0.41 -0.49 0.00 0.00 175.26 174.17 2gbs n GLY 57 N 4.30 2.34 3.70 -1.39 0.00 -1.26 -4.75 105.19 108.13 2gbs n GLY 57 Ca 0.09 -0.65 -0.25 0.00 0.00 0.00 0.00 46.02 45.21 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 -6.86 -3.97 1.61 5.02 -0.04 -4.83 118.16 109.10 2gbs n LYS 58 Ca 0.00 0.74 -0.09 0.00 -2.02 0.00 0.00 58.31 56.94 2gbs n LYS 58 Cb 0.00 -5.71 -0.10 0.00 -0.02 0.00 0.00 35.03 29.20 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 -6.32 0.51 -0.33 1.97 -1.05 -1.20 -0.45 118.70 111.82 2gbs s GLU 59 Ca 0.53 -0.77 -0.20 0.00 -0.15 0.00 0.00 54.97 54.38 2gbs s GLU 59 Cb -0.25 0.19 -0.00 0.00 -0.44 0.00 0.00 34.13 33.63 2gbs s GLU 59 CO 0.77 -0.11 0.62 0.42 0.95 0.00 0.00 175.26 177.91 2gbs s ILE 60 N -2.43 4.93 -0.09 1.83 1.01 0.13 -2.00 121.20 124.57 2gbs s ILE 60 Ca -0.07 0.67 0.15 0.00 0.00 0.00 0.00 60.65 61.41 2gbs s ILE 60 Cb -0.02 -4.03 -0.23 0.00 0.01 0.00 0.00 42.46 38.19 2gbs s ILE 60 CO -0.04 -0.22 0.22 1.33 0.00 0.00 0.00 174.94 176.22 2gbs n VAL 61 N 5.48 0.52 -3.97 2.92 0.24 -0.89 -1.77 118.33 120.85 2gbs n VAL 61 Ca -0.02 -0.52 -0.10 0.00 -2.04 0.00 0.00 64.34 61.67 2gbs n VAL 61 Cb 0.49 -0.22 -0.04 0.00 -1.47 0.00 0.00 33.84 32.60 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 -4.41 0.61 -0.11 7.63 0.00 -1.24 -1.00 107.32 108.80 2gbs s GLY 62 Ca -0.07 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.76 2gbs s GLY 62 CO 0.67 -0.59 -0.16 -0.42 0.00 0.00 0.00 173.10 172.61 2gbs s ILE 63 N -3.62 2.83 0.27 0.90 1.01 -0.44 -0.81 121.20 121.34 2gbs s ILE 63 Ca 0.22 -0.75 0.09 0.00 0.00 0.00 0.00 60.65 60.20 2gbs s ILE 63 Cb -0.02 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 2gbs s ILE 63 CO 0.11 0.54 0.03 0.00 0.00 0.00 0.00 174.94 175.62 2gbs s ALA 64 N 0.16 3.24 0.01 9.38 0.00 0.65 -1.35 121.76 133.85 2gbs s ALA 64 Ca -0.09 -1.62 0.03 0.00 0.00 0.00 0.00 51.96 50.29 2gbs s ALA 64 Cb -0.15 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.10 2gbs s ALA 64 CO 0.05 0.26 -0.10 -2.00 0.00 0.00 0.00 175.76 173.97 2gbs s GLU 65 N -3.71 0.72 -0.76 0.00 2.12 -0.91 -0.30 118.70 115.88 2gbs s GLU 65 Ca 0.32 -0.47 -0.26 0.00 0.36 0.00 0.00 54.97 54.93 2gbs s GLU 65 Cb -0.07 -0.68 0.04 0.00 0.26 0.00 0.00 34.13 33.69 2gbs s GLU 65 CO 0.21 0.18 1.23 0.42 -0.54 0.00 0.00 175.26 176.76 2gbs s ILE 66 N -0.50 3.88 -2.30 -3.70 -1.09 0.39 -1.48 121.20 116.40 2gbs s ILE 66 Ca 0.01 0.10 0.26 0.00 -2.23 0.00 0.00 60.65 58.79 2gbs s ILE 66 Cb -0.05 -4.88 0.36 0.00 -1.58 0.00 0.00 42.46 36.30 2gbs s ILE 66 CO 0.00 -1.78 1.56 2.30 -1.23 0.00 0.00 174.94 175.79 2gbs n ILE 67 N 6.32 0.00 -3.66 2.92 -5.35 -0.78 0.22 119.36 119.03 2gbs n ILE 67 Ca 0.05 -0.25 -0.06 0.00 -0.27 0.00 0.00 62.75 62.22 2gbs n ILE 67 Cb 0.48 0.69 -0.07 0.00 -1.74 0.00 0.00 39.64 39.00 2gbs n ILE 67 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2gbs s ARG 68 N -2.20 0.46 1.29 6.28 0.52 -1.21 -4.90 118.95 119.19 2gbs s ARG 68 Ca 0.30 1.18 -0.19 0.00 -0.52 0.00 0.00 55.73 56.50 2gbs s ARG 68 Cb 0.20 0.47 0.32 0.00 0.52 0.00 0.00 34.95 36.46 2gbs s ARG 68 CO 0.41 -0.21 1.01 -1.21 0.02 0.00 0.00 175.30 175.31 2gbs s GLU 69 N 2.48 -1.89 -0.02 3.54 8.01 -1.26 -2.13 118.70 127.42 2gbs s GLU 69 Ca -0.05 0.24 -0.31 0.00 0.01 0.00 0.00 54.97 54.86 2gbs s GLU 69 Cb -0.11 -1.49 -0.10 0.00 -4.31 0.00 0.00 34.13 28.13 2gbs s GLU 69 CO -0.16 -4.22 1.97 0.00 0.01 0.00 0.00 175.26 172.87 2gbs n ALA 70 N -5.18 1.40 -2.43 5.21 0.00 -1.26 -4.56 120.51 113.70 2gbs n ALA 70 Ca 0.10 0.19 -0.22 0.00 0.00 0.00 0.00 53.44 53.51 2gbs n ALA 70 Cb 0.59 -2.65 -0.11 0.00 0.00 0.00 0.00 19.45 17.28 2gbs n ALA 70 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2gbs s TYR 71 N 4.70 1.92 -0.24 0.00 1.13 -0.16 -4.88 117.35 119.82 2gbs s TYR 71 Ca 0.91 -0.46 -0.39 0.00 -1.41 0.00 0.00 57.07 55.72 2gbs s TYR 71 Cb -0.50 -0.92 -0.15 0.00 -1.10 0.00 0.00 41.96 39.28 2gbs s TYR 71 CO 0.44 0.41 1.74 -2.30 -2.51 0.00 0.00 175.55 173.34 2gbs n PRO 72 N 0.02 1.27 -1.68 -3.49 -0.02 -1.26 -0.82 135.00 129.02 2gbs n PRO 72 Ca -0.11 0.47 -0.49 0.00 -2.02 0.00 0.00 63.50 61.35 2gbs n PRO 72 Cb 0.58 -2.17 -0.05 0.00 -0.02 0.00 0.00 33.50 31.84 2gbs n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2gbs n ASP 73 N 5.40 3.17 0.00 2.55 2.03 -0.25 -4.76 116.55 124.69 2gbs n ASP 73 Ca 0.26 1.01 0.10 0.00 0.52 0.00 0.00 54.79 56.68 2gbs n ASP 73 Cb 0.15 -1.35 0.44 0.00 -0.72 0.00 0.00 41.12 39.64 2gbs n ASP 73 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2gbs n PRO 74 N 5.70 0.06 0.12 -0.67 -0.02 -1.26 -2.59 135.00 136.33 2gbs n PRO 74 Ca 0.22 0.15 -0.19 0.00 -2.02 0.00 0.00 63.50 61.66 2gbs n PRO 74 Cb 0.27 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.11 2gbs n PRO 74 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2gbs h THR 75 N 0.00 1.41 -3.20 3.45 2.02 -1.97 -3.44 112.91 111.19 2gbs h THR 75 Ca 0.00 -2.87 -0.59 0.00 0.77 0.00 0.00 66.41 63.71 2gbs h THR 75 Cb 0.31 2.93 -0.07 0.00 -1.74 0.00 0.00 68.15 69.57 2gbs h THR 75 CO 0.00 0.85 -0.21 -0.62 0.37 0.00 0.00 175.52 175.91 2gbs s ASP 76 N -7.30 6.67 0.00 4.18 -1.08 -1.07 -4.98 116.67 113.09 2gbs s ASP 76 Ca -0.06 0.80 0.21 0.00 -0.52 0.00 0.00 52.55 52.98 2gbs s ASP 76 Cb 0.06 -2.25 0.77 0.00 -1.46 0.00 0.00 42.92 40.05 2gbs s ASP 76 CO 0.91 0.15 1.56 0.00 0.52 0.00 0.00 175.17 178.30 2gbs n ALA 77 N 2.96 2.52 0.11 3.66 0.00 -1.26 -3.62 120.51 124.88 2gbs n ALA 77 Ca -0.11 -0.52 0.02 0.00 0.00 0.00 0.00 53.44 52.84 2gbs n ALA 77 Cb 0.52 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2gbs n ALA 77 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2gbs n SER 78 N 0.31 2.06 0.00 0.00 7.64 -1.26 -4.99 113.62 117.38 2gbs n SER 78 Ca 0.16 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.74 2gbs n SER 78 Cb 0.33 1.10 0.00 0.00 -1.01 0.00 0.00 64.21 64.64 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 1.67 0.52 0.21 0.23 0.00 -1.24 -4.95 105.19 101.64 2gbs n GLY 79 Ca 0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.13 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 0.30 -6.01 1.61 3.64 -1.90 -3.44 116.57 110.76 2gbs h LYS 80 Ca 0.00 -0.12 -0.58 0.00 -1.27 0.00 0.00 60.65 58.68 2gbs h LYS 80 Cb 0.35 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.05 2gbs h LYS 80 CO 0.00 0.60 -0.59 -0.06 -2.27 0.00 0.00 179.45 177.12 2gbs s PHE 81 N -4.33 2.58 0.29 1.91 0.08 -1.26 -5.06 117.98 112.19 2gbs s PHE 81 Ca -0.05 -0.44 0.04 0.00 0.12 0.00 0.00 56.93 56.59 2gbs s PHE 81 Cb 0.14 -1.56 -0.06 0.00 -0.57 0.00 0.00 43.02 40.97 2gbs s PHE 81 CO 0.77 0.43 0.03 0.14 -0.10 0.00 0.00 175.22 176.49 2gbs s VAL 82 N -2.51 1.17 -0.05 -0.44 -7.23 -1.26 -1.10 120.40 108.99 2gbs s VAL 82 Ca 0.36 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.33 2gbs s VAL 82 Cb 0.00 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.36 2gbs s VAL 82 CO 0.20 -0.13 0.39 0.00 -0.31 0.00 0.00 175.10 175.25 2gbs s VAL 84 N -1.01 3.90 -0.35 0.00 -7.23 -1.25 -0.98 120.40 113.48 2gbs s VAL 84 Ca -0.11 -1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 58.37 2gbs s VAL 84 Cb -0.04 -3.06 0.01 0.00 0.56 0.00 0.00 36.38 33.85 2gbs s VAL 84 CO 0.04 -0.29 0.21 -0.62 -0.31 0.00 0.00 175.10 174.13 2gbs s ASP 85 N -3.52 5.78 -0.09 4.85 -1.08 -0.91 -0.24 116.67 121.45 2gbs s ASP 85 Ca 0.31 -0.71 -0.03 0.00 -0.52 0.00 0.00 52.55 51.60 2gbs s ASP 85 Cb -0.08 -2.05 -0.03 0.00 -1.46 0.00 0.00 42.92 39.29 2gbs s ASP 85 CO 0.21 -0.30 0.03 0.27 0.52 0.00 0.00 175.17 175.91 2gbs s ILE 86 N 1.62 4.58 0.28 4.11 -4.36 -0.20 -1.86 121.20 125.37 2gbs s ILE 86 Ca 0.04 -0.14 0.08 0.00 -0.26 0.00 0.00 60.65 60.37 2gbs s ILE 86 Cb -0.18 -2.95 -0.04 0.00 1.25 0.00 0.00 42.46 40.54 2gbs s ILE 86 CO 0.08 0.61 0.10 -1.59 0.24 0.00 0.00 174.94 174.37 2gbs s LYS 87 N -0.90 2.52 -0.43 0.37 -2.85 -0.55 -1.45 119.74 116.45 2gbs s LYS 87 Ca 0.14 -1.33 -0.20 0.00 -1.00 0.00 0.00 55.97 53.57 2gbs s LYS 87 Cb -0.11 -2.30 0.02 0.00 -2.06 0.00 0.00 37.83 33.38 2gbs s LYS 87 CO 0.03 0.31 0.62 0.00 0.10 0.00 0.00 175.35 176.41 2gbs s ALA 88 N -2.29 3.36 0.00 0.59 0.00 -1.26 -2.13 121.76 120.03 2gbs s ALA 88 Ca 0.33 -1.22 0.00 0.00 0.00 0.00 0.00 51.96 51.08 2gbs s ALA 88 Cb -0.06 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2gbs s ALA 88 CO 0.22 -1.74 0.03 -3.47 0.00 0.00 0.00 175.76 170.80 2gbs n ASP 89 N 6.19 0.00 -3.70 0.00 2.03 -0.46 -4.42 116.55 116.19 2gbs n ASP 89 Ca -0.02 0.30 -0.14 0.00 0.52 0.00 0.00 54.79 55.45 2gbs n ASP 89 Cb 0.48 -0.28 -0.08 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.63 0.69 0.81 -0.67 -2.85 -1.23 -5.03 119.74 110.82 2gbs s LYS 90 Ca 0.00 0.20 -0.12 0.00 -1.00 0.00 0.00 55.97 55.05 2gbs s LYS 90 Cb 0.00 0.32 0.08 0.00 -2.06 0.00 0.00 37.83 36.17 2gbs s LYS 90 CO 0.00 -0.17 1.14 -1.25 0.10 0.00 0.00 175.35 175.17 2gbs s PRO 91 N -0.72 2.01 0.30 1.78 0.04 -1.26 -1.33 135.00 135.82 2gbs s PRO 91 Ca -0.08 0.32 -0.23 0.00 0.04 0.00 0.00 61.00 61.05 2gbs s PRO 91 Cb -0.03 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 2gbs s PRO 91 CO 0.04 -1.60 0.86 -0.51 0.04 0.00 0.00 177.00 175.83 2gbs s LEU 92 N -5.66 4.30 0.15 -3.56 1.43 -0.17 -4.82 118.68 110.34 2gbs s LEU 92 Ca 0.61 1.66 -0.17 0.00 -1.03 0.00 0.00 54.13 55.20 2gbs s LEU 92 Cb -0.12 -3.91 -0.00 0.00 0.03 0.00 0.00 46.19 42.19 2gbs s LEU 92 CO 0.51 -0.06 1.80 0.50 0.23 0.00 0.00 176.35 179.33 2gbs h LYS 93 N 3.12 0.42 -4.23 1.70 3.64 -1.81 -3.40 116.57 116.02 2gbs h LYS 93 Ca -0.47 -0.03 -0.50 0.00 -1.27 0.00 0.00 60.65 58.38 2gbs h LYS 93 Cb 1.19 -0.10 -0.36 0.00 -0.41 0.00 0.00 32.23 32.56 2gbs h LYS 93 CO 0.65 0.28 -0.80 0.95 -2.27 0.00 0.00 179.45 178.26 2gbs s THR 94 N -6.16 0.92 0.37 1.00 -4.23 0.52 -5.02 115.64 103.04 2gbs s THR 94 Ca -0.13 -0.28 -0.28 0.00 -1.18 0.00 0.00 61.69 59.83 2gbs s THR 94 Cb 0.10 -0.92 -0.11 0.00 1.34 0.00 0.00 72.50 72.91 2gbs s THR 94 CO 0.71 0.33 1.44 -2.65 -0.54 0.00 0.00 174.62 173.91 2gbs n PRO 95 N 4.51 2.52 -3.39 3.99 -0.02 -1.26 -4.28 135.00 137.06 2gbs n PRO 95 Ca -0.17 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 61.77 2gbs n PRO 95 Cb 0.51 -2.59 -0.09 0.00 -0.02 0.00 0.00 33.50 31.31 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 -1.12 5.17 0.79 -1.45 1.01 -0.73 -4.89 120.40 119.19 2gbs s VAL 96 Ca 0.54 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.93 2gbs s VAL 96 Cb -0.50 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 31.98 2gbs s VAL 96 CO 0.63 -0.35 1.16 0.42 0.00 0.00 0.00 175.10 176.97 2gbs s THR 97 N 1.92 2.17 0.21 3.92 -4.23 -1.26 0.18 115.64 118.56 2gbs s THR 97 Ca 0.09 0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.55 2gbs s THR 97 Cb -0.18 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 70.76 2gbs s THR 97 CO 0.12 -0.07 1.84 0.25 -0.54 0.00 0.00 174.62 176.22 2gbs h LEU 98 N -1.00 0.70 -1.14 4.79 5.85 -1.08 -0.91 115.31 122.53 2gbs h LEU 98 Ca -0.46 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.27 2gbs h LEU 98 Cb 1.32 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2gbs h LEU 98 CO 0.66 0.48 0.00 0.00 -0.34 0.00 0.00 178.44 179.23 2gbs h ALA 99 N 1.33 1.00 0.03 1.25 0.00 -1.93 -1.58 119.26 119.35 2gbs h ALA 99 Ca 0.30 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.99 2gbs h ALA 99 Cb 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2gbs h ALA 99 CO -0.13 0.00 -0.98 0.00 0.00 0.00 0.00 179.25 178.14 2gbs h ALA 100 N 2.03 0.40 -0.10 0.00 0.00 -1.56 -2.65 119.26 117.39 2gbs h ALA 100 Ca 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 54.91 53.94 2gbs h ALA 100 Cb 0.58 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2gbs h ALA 100 CO 0.00 1.00 -0.68 0.28 0.00 0.00 0.00 179.25 179.84 2gbs h VAL 101 N 0.08 1.36 0.00 0.00 2.07 -0.90 -2.79 116.25 116.06 2gbs h VAL 101 Ca -0.06 -2.05 0.00 0.00 0.82 0.00 0.00 66.70 65.41 2gbs h VAL 101 Cb 1.66 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 33.46 2gbs h VAL 101 CO 0.15 0.62 0.00 0.29 0.02 0.00 0.00 177.57 178.65 2gbs n LYS 102 N -3.87 0.93 0.22 1.57 5.02 -0.63 -3.70 118.16 117.70 2gbs n LYS 102 Ca -0.04 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.36 2gbs n LYS 102 Cb 0.68 -1.12 0.36 0.00 -0.02 0.00 0.00 35.03 34.94 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 3.09 0.96 -3.41 7.82 0.00 -1.18 -3.44 119.26 123.09 2gbs h ALA 103 Ca 0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 2gbs h ALA 103 Cb 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 17.79 17.51 2gbs h ALA 103 CO 0.00 0.18 -0.69 -1.83 0.00 0.00 0.00 179.25 176.91 2gbs s GLU 104 N -3.42 0.14 0.61 0.00 -1.05 -1.24 -5.04 118.70 108.70 2gbs s GLU 104 Ca 0.03 -0.19 0.36 0.00 -0.15 0.00 0.00 54.97 55.02 2gbs s GLU 104 Cb 0.08 0.05 1.96 0.00 -0.44 0.00 0.00 34.13 35.78 2gbs s GLU 104 CO 0.64 -0.02 2.24 -1.00 0.95 0.00 0.00 175.26 178.06 2gbs h PRO 105 N 5.56 0.00 0.00 -4.83 0.13 -1.88 -1.77 132.00 129.21 2gbs h PRO 105 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 2gbs h PRO 105 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2gbs h PRO 105 CO 0.46 0.03 -0.16 -0.09 -0.23 0.00 0.00 178.00 178.01 2gbs h ARG 106 N 0.00 0.00 -0.02 0.86 2.43 -1.96 -1.37 114.38 114.31 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 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2gbs h ARG 106 CO 0.00 0.16 -0.20 1.28 -1.51 0.00 0.00 179.97 179.71 2gbs n LEU 107 N -4.26 2.54 -0.00 3.80 4.77 -0.68 -4.03 117.00 119.13 2gbs n LEU 107 Ca -0.02 -0.88 0.14 0.00 -0.03 0.00 0.00 56.01 55.22 2gbs n LEU 107 Cb 0.23 -0.00 0.55 0.00 -2.33 0.00 0.00 43.42 41.87 2gbs n LEU 107 CO 0.35 0.44 0.87 0.00 -1.33 0.00 0.00 177.39 177.72 2gbs n ALA 108 N 0.73 2.57 -0.08 -1.18 0.00 -0.52 -2.73 120.51 119.30 2gbs n ALA 108 Ca 0.12 -0.15 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2gbs n ALA 108 Cb 0.54 -1.40 0.29 0.00 0.00 0.00 0.00 19.45 18.87 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 -1.49 3.69 -4.80 0.00 2.03 -1.21 -4.71 116.55 110.07 2gbs n ASP 109 Ca 0.07 -1.99 -0.34 0.00 0.52 0.00 0.00 54.79 53.05 2gbs n ASP 109 Cb 0.34 -0.41 -0.02 0.00 -0.72 0.00 0.00 41.12 40.31 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 -1.19 3.69 0.63 -0.67 1.75 -1.10 -4.91 119.30 117.49 2gbs s MET 110 Ca 0.45 1.36 0.33 0.00 -1.25 0.00 0.00 55.69 56.58 2gbs s MET 110 Cb 0.24 -2.08 1.85 0.00 2.84 0.00 0.00 34.83 37.68 2gbs s MET 110 CO 0.32 -0.52 2.13 0.00 -0.65 0.00 0.00 175.02 176.30 2gbs h ALA 111 N 1.36 1.50 -0.05 4.11 0.00 -1.90 -0.06 119.26 124.21 2gbs h ALA 111 Ca -0.49 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2gbs h ALA 111 Cb 1.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2gbs h ALA 111 CO 0.59 -0.23 -0.06 1.25 0.00 0.00 0.00 179.25 180.79 2gbs h LEU 112 N 0.00 0.07 -2.28 0.00 5.85 -1.91 0.31 115.31 117.35 2gbs h LEU 112 Ca 0.04 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.76 2gbs h LEU 112 Cb 0.40 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2gbs h LEU 112 CO -0.00 0.15 0.00 0.23 -0.34 0.00 0.00 178.44 178.48 2gbs n MET 113 N -4.42 2.46 0.05 1.25 2.81 -0.04 -4.51 117.12 114.74 2gbs n MET 113 Ca -0.02 -2.24 0.00 0.00 -1.81 0.00 0.00 57.70 53.63 2gbs n MET 113 Cb 0.17 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 31.17 2gbs n MET 113 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2gbs n LYS 114 N 1.38 0.00 -3.20 0.03 5.02 -0.68 -4.98 118.16 115.74 2gbs n LYS 114 Ca 0.20 0.00 -0.46 0.00 -2.02 0.00 0.00 58.31 56.04 2gbs n LYS 114 Cb 0.57 -0.41 -0.03 0.00 -0.02 0.00 0.00 35.03 35.13 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 -1.92 3.34 0.08 2.13 1.51 0.10 -4.89 117.35 117.70 2gbs s TYR 115 Ca 0.00 -1.46 -0.19 0.00 -1.01 0.00 0.00 57.07 54.41 2gbs s TYR 115 Cb 0.00 -3.95 -0.09 0.00 -0.11 0.00 0.00 41.96 37.82 2gbs s TYR 115 CO 0.00 -1.16 1.56 1.03 -1.11 0.00 0.00 175.55 175.86 2gbs h SER 116 N 8.58 0.36 0.61 2.29 0.87 -1.83 -3.17 113.55 121.25 2gbs h SER 116 Ca -0.09 -0.26 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2gbs h SER 116 Cb 1.06 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2gbs h SER 116 CO 0.97 0.52 -0.11 -1.14 -0.53 0.00 0.00 176.83 176.54 2gbs n ARG 117 N -4.72 0.34 -2.23 2.24 3.00 -1.26 -4.76 116.66 109.27 2gbs n ARG 117 Ca -0.04 -0.08 -0.43 0.00 -0.00 0.00 0.00 57.85 57.30 2gbs n ARG 117 Cb 0.19 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.13 2gbs n ARG 117 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2gbs s LEU 118 N -2.72 3.90 0.03 6.15 2.96 -1.20 -4.89 118.68 122.92 2gbs s LEU 118 Ca 0.22 1.48 -0.20 0.00 -0.22 0.00 0.00 54.13 55.42 2gbs s LEU 118 Cb 0.19 -3.54 -0.16 0.00 0.50 0.00 0.00 46.19 43.19 2gbs s LEU 118 CO 0.52 -1.17 1.28 0.28 -1.32 0.00 0.00 176.35 175.93 2gbs h SER 119 N 10.12 0.45 -3.63 3.68 0.02 -1.90 -3.42 113.55 118.87 2gbs h SER 119 Ca -0.31 -0.56 -0.68 0.00 -0.84 0.00 0.00 61.79 59.40 2gbs h SER 119 Cb 1.13 -0.13 -0.33 0.00 0.14 0.00 0.00 62.40 63.21 2gbs h SER 119 CO 1.01 0.93 -0.74 -0.69 -1.14 0.00 0.00 176.83 176.20 2gbs s VAL 120 N -3.98 2.79 -0.03 2.27 1.01 -1.26 -2.34 120.40 118.86 2gbs s VAL 120 Ca -0.14 -1.23 -0.00 0.00 0.00 0.00 0.00 61.98 60.61 2gbs s VAL 120 Cb 0.05 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2gbs s VAL 120 CO 0.78 0.08 0.03 -1.10 0.00 0.00 0.00 175.10 174.88 2gbs s GLN 121 N 1.27 2.94 0.07 2.72 -0.21 -0.22 -4.77 119.66 121.46 2gbs s GLN 121 Ca -0.03 -0.51 -0.30 0.00 0.02 0.00 0.00 55.36 54.55 2gbs s GLN 121 Cb -0.18 -2.77 -0.05 0.00 1.00 0.00 0.00 33.01 31.01 2gbs s GLN 121 CO -0.04 0.66 0.97 -2.14 -2.12 0.00 0.00 175.29 172.62 2gbs s PRO 122 N -1.42 4.65 -0.04 2.91 0.02 -1.26 -0.58 135.00 139.28 2gbs s PRO 122 Ca 0.19 1.44 0.05 0.00 0.02 0.00 0.00 61.00 62.70 2gbs s PRO 122 Cb -0.12 -3.40 -0.01 0.00 0.02 0.00 0.00 34.50 30.99 2gbs s PRO 122 CO 0.09 0.12 -0.18 0.08 -0.33 0.00 0.00 177.00 176.78 2gbs s VAL 123 N 0.35 1.51 0.68 3.83 1.01 0.10 -4.62 120.40 123.26 2gbs s VAL 123 Ca 0.49 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.65 2gbs s VAL 123 Cb -0.23 -1.29 0.07 0.00 0.00 0.00 0.00 36.38 34.94 2gbs s VAL 123 CO 0.29 0.43 0.96 0.42 0.00 0.00 0.00 175.10 177.21 2gbs s THR 124 N -0.08 2.34 0.26 3.92 -4.23 -1.26 -3.27 115.64 113.31 2gbs s THR 124 Ca -0.02 -0.41 -0.05 0.00 -1.18 0.00 0.00 61.69 60.03 2gbs s THR 124 Cb -0.11 -2.93 0.21 0.00 1.34 0.00 0.00 72.50 71.01 2gbs s THR 124 CO 0.02 0.00 1.87 0.00 -0.54 0.00 0.00 174.62 175.97 2gbs h ALA 125 N -0.47 1.22 0.43 3.99 0.00 -1.96 0.45 119.26 122.92 2gbs h ALA 125 Ca -0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 2gbs h ALA 125 Cb 1.30 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2gbs h ALA 125 CO 0.54 0.62 -0.32 1.49 0.00 0.00 0.00 179.25 181.57 2gbs h GLU 126 N 1.14 -0.72 -0.30 0.00 4.57 -1.99 -0.39 114.58 116.89 2gbs h GLU 126 Ca 0.28 0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.51 2gbs h GLU 126 Cb 0.06 0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2gbs h GLU 126 CO -0.04 -0.48 0.18 0.93 -1.18 0.00 0.00 179.01 178.42 2gbs h GLU 127 N -0.75 0.40 0.45 1.92 5.08 -1.89 -1.96 114.58 117.84 2gbs h GLU 127 Ca -0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2gbs h GLU 127 Cb 0.64 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2gbs h GLU 127 CO 0.00 0.30 -0.47 2.35 -1.00 0.00 0.00 179.01 180.20 2gbs h TRP 128 N 0.38 -1.30 -0.10 4.33 2.91 -0.78 -2.12 115.95 119.28 2gbs h TRP 128 Ca 0.11 0.01 -0.04 0.00 1.13 0.00 0.00 58.89 60.10 2gbs h TRP 128 Cb 0.00 0.51 -0.01 0.00 -0.51 0.00 0.00 29.16 29.15 2gbs h TRP 128 CO -0.04 -0.62 -0.13 0.87 -1.03 0.00 0.00 178.44 177.49 2gbs h LYS 129 N -0.92 0.16 -0.15 2.65 1.57 -1.05 -1.78 116.57 117.04 2gbs h LYS 129 Ca -0.06 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 2gbs h LYS 129 Cb 0.80 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 2gbs h LYS 129 CO -0.07 0.29 0.00 1.25 -0.57 0.00 0.00 179.45 180.36 2gbs h LEU 130 N 0.15 0.26 -0.46 2.94 5.85 -1.16 0.84 115.31 123.72 2gbs h LEU 130 Ca 0.03 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 2gbs h LEU 130 Cb 0.33 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2gbs h LEU 130 CO 0.02 0.51 0.11 0.58 -0.34 0.00 0.00 178.44 179.32 2gbs h VAL 131 N 0.02 1.24 0.06 1.05 2.07 -1.07 0.38 116.25 119.99 2gbs h VAL 131 Ca 0.04 -0.83 0.01 0.00 0.82 0.00 0.00 66.70 66.74 2gbs h VAL 131 Cb 0.37 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 2gbs h VAL 131 CO 0.01 0.30 -0.10 0.00 0.02 0.00 0.00 177.57 177.79 2gbs h LYS 133 N -0.20 0.00 -0.38 0.00 3.64 -0.73 -1.72 116.57 117.18 2gbs h LYS 133 Ca 0.02 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 2gbs h LYS 133 Cb 0.22 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2gbs h LYS 133 CO -0.06 0.27 -0.11 1.98 -2.27 0.00 0.00 179.45 179.26 2gbs h MET 134 N 0.00 0.66 -0.15 1.90 4.05 -0.39 -2.41 114.93 118.59 2gbs h MET 134 Ca -0.00 -0.21 0.00 0.00 -0.28 0.00 0.00 59.70 59.21 2gbs h MET 134 Cb 0.50 -0.06 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 2gbs h MET 134 CO 0.04 0.76 0.00 0.41 0.23 0.00 0.00 176.91 178.34 2gbs n GLY 135 N -0.53 -0.42 2.21 1.39 0.00 -0.64 -4.84 105.19 102.36 2gbs n GLY 135 Ca 0.01 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 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 0.59 0.72 0.22 -0.02 0.00 -0.91 -0.35 105.19 105.44 2gbs n GLY 136 Ca 0.03 -0.63 0.13 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 0.00 -8.18 0.99 5.85 -1.52 -3.41 115.31 109.04 2gbs h LEU 137 Ca -0.18 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 57.99 2gbs h LEU 137 Cb 0.72 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 41.66 2gbs h LEU 137 CO 0.24 0.00 1.33 -0.22 -0.34 0.00 0.00 178.44 179.45 2gbs s LEU 138 N -6.11 3.39 -0.45 2.25 0.20 -1.26 -4.94 118.68 111.77 2gbs s LEU 138 Ca 0.06 -1.13 -0.16 0.00 0.69 0.00 0.00 54.13 53.59 2gbs s LEU 138 Cb 0.06 -2.57 0.04 0.00 -0.43 0.00 0.00 46.19 43.30 2gbs s LEU 138 CO 0.65 -1.74 0.41 -0.70 -0.29 0.00 0.00 176.35 174.68 2gbs s GLU 139 N 5.42 3.03 -0.27 1.98 2.56 -1.26 -5.02 118.70 125.13 2gbs s GLU 139 Ca 0.48 -1.03 -0.28 0.00 0.00 0.00 0.00 54.97 54.13 2gbs s GLU 139 Cb -0.03 -4.04 -0.03 0.00 2.00 0.00 0.00 34.13 32.03 2gbs s GLU 139 CO -0.04 -0.93 2.00 -1.58 -0.56 0.00 0.00 175.26 174.16 2gbs s HIS 140 N 1.93 1.49 0.15 5.30 5.65 -1.26 -4.87 115.29 123.68 2gbs s HIS 140 Ca 0.08 0.57 -0.22 0.00 0.25 0.00 0.00 55.06 55.75 2gbs s HIS 140 Cb -0.20 -4.03 0.04 0.00 -1.18 0.00 0.00 32.58 27.21 2gbs s HIS 140 CO 0.10 -3.53 1.63 1.25 -0.65 0.00 0.00 174.74 173.55 2gbs h HIS 141 N 13.91 -0.61 -2.12 3.88 2.76 -2.02 -3.28 115.15 127.67 2gbs h HIS 141 Ca -0.37 0.04 -0.55 0.00 -2.20 0.00 0.00 60.37 57.29 2gbs h HIS 141 Cb 1.20 0.31 -0.08 0.00 1.55 0.00 0.00 27.41 30.39 2gbs h HIS 141 CO 0.95 -0.31 1.14 -1.58 -1.30 0.00 0.00 177.93 176.83 2gbs s HIS 142 N -6.09 2.32 0.77 5.26 5.65 -1.26 -5.00 115.29 116.93 2gbs s HIS 142 Ca -0.15 -0.19 -0.08 0.00 0.25 0.00 0.00 55.06 54.89 2gbs s HIS 142 Cb 0.13 -4.64 0.09 0.00 -1.18 0.00 0.00 32.58 26.98 2gbs s HIS 142 CO 0.68 -2.06 1.09 -1.01 -0.65 0.00 0.00 174.74 172.80 2gbs s HIS 143 N 5.64 2.57 0.14 3.88 0.09 -1.24 -5.11 115.29 121.26 2gbs s HIS 143 Ca 0.37 0.40 0.02 0.00 -0.00 0.00 0.00 55.06 55.85 2gbs s HIS 143 Cb -0.07 -3.38 -0.04 0.00 -0.00 0.00 0.00 32.58 29.09 2gbs s HIS 143 CO 0.10 -1.70 -0.04 -3.38 -0.00 0.00 0.00 174.74 169.72 2gbs s HIS 144 N -3.40 1.08 -2.07 1.40 -3.43 -1.26 -5.21 115.29 102.40 2gbs s HIS 144 Ca 0.63 -0.95 0.17 0.00 -0.80 0.00 0.00 55.06 54.11 2gbs s HIS 144 Cb -0.09 -0.61 0.13 0.00 -1.43 0.00 0.00 32.58 30.58 2gbs s HIS 144 CO 0.47 -0.16 1.02 0.72 -2.00 0.00 0.00 174.74 174.79