#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 3.59 -0.02 3.52 0.00 -1.26 -5.02 121.76 122.57 2gbs s ALA 2 Ca 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 51.96 50.19 2gbs s ALA 2 Cb 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 2gbs s ALA 2 CO 0.00 -0.14 -0.10 0.71 0.00 0.00 0.00 175.76 176.22 2gbs s TYR 3 N -2.71 0.99 0.12 0.00 2.02 -1.25 -2.30 117.35 114.22 2gbs s TYR 3 Ca 0.31 -0.21 0.02 0.00 -0.37 0.00 0.00 57.07 56.82 2gbs s TYR 3 Cb 0.05 -0.67 -0.01 0.00 -0.40 0.00 0.00 41.96 40.94 2gbs s TYR 3 CO 0.17 -0.05 0.06 0.91 -1.57 0.00 0.00 175.55 175.06 2gbs n TRP 4 N 3.00 -0.02 -3.68 2.71 7.02 0.58 -0.24 117.44 126.82 2gbs n TRP 4 Ca -0.16 -0.84 -0.11 0.00 -1.02 0.00 0.00 57.50 55.38 2gbs n TRP 4 Cb 0.55 0.02 -0.11 0.00 -2.42 0.00 0.00 31.31 29.35 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 -0.29 -0.10 -0.99 0.20 0.23 -0.74 118.68 116.99 2gbs s LEU 5 Ca 0.08 0.78 -0.02 0.00 0.69 0.00 0.00 54.13 55.66 2gbs s LEU 5 Cb 0.00 1.06 -0.03 0.00 -0.43 0.00 0.00 46.19 46.79 2gbs s LEU 5 CO 0.06 -0.22 -0.01 0.68 -0.29 0.00 0.00 176.35 176.57 2gbs s VAL 6 N 2.13 4.21 -0.24 1.68 -7.23 -0.03 -2.42 120.40 118.50 2gbs s VAL 6 Ca -0.03 -0.28 -0.05 0.00 -1.81 0.00 0.00 61.98 59.81 2gbs s VAL 6 Cb -0.11 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 2gbs s VAL 6 CO -0.11 0.59 0.00 -0.54 -0.31 0.00 0.00 175.10 174.73 2gbs s LYS 7 N -0.68 3.33 0.04 4.82 1.02 -1.03 -0.88 119.74 126.37 2gbs s LYS 7 Ca 0.11 -0.67 0.04 0.00 0.02 0.00 0.00 55.97 55.46 2gbs s LYS 7 Cb -0.12 -3.14 -0.02 0.00 -0.52 0.00 0.00 37.83 34.03 2gbs s LYS 7 CO 0.02 -0.26 -0.11 0.45 -0.92 0.00 0.00 175.35 174.53 2gbs s SER 8 N 1.50 1.26 -0.23 2.83 0.15 0.45 -4.87 113.70 114.77 2gbs s SER 8 Ca 0.05 -0.49 -0.12 0.00 0.70 0.00 0.00 55.95 56.09 2gbs s SER 8 Cb -0.15 -0.04 -0.05 0.00 -1.71 0.00 0.00 66.02 64.08 2gbs s SER 8 CO -0.01 -0.08 0.21 -1.61 1.20 0.00 0.00 173.24 172.95 2gbs s GLU 9 N -1.34 4.09 0.44 5.44 2.02 -1.26 -0.36 118.70 127.73 2gbs s GLU 9 Ca -0.04 -0.18 0.30 0.00 0.02 0.00 0.00 54.97 55.08 2gbs s GLU 9 Cb -0.09 -3.54 1.54 0.00 0.10 0.00 0.00 34.13 32.15 2gbs s GLU 9 CO 0.01 0.05 1.92 -1.00 0.02 0.00 0.00 175.26 176.26 2gbs h PRO 10 N 7.47 0.00 -0.07 0.39 0.13 -1.74 0.20 132.00 138.38 2gbs h PRO 10 Ca -0.38 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.77 2gbs h PRO 10 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2gbs h PRO 10 CO 0.67 0.00 0.05 0.77 -0.23 0.00 0.00 178.00 179.26 2gbs h SER 11 N 0.00 0.00 0.00 1.44 0.02 -1.93 -3.35 113.55 109.74 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 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2gbs h SER 11 CO 0.00 0.00 -0.36 0.52 -1.14 0.00 0.00 176.83 175.85 2gbs n VAL 12 N -4.43 1.12 -4.29 2.27 0.31 -0.15 -5.02 118.33 108.13 2gbs n VAL 12 Ca -0.01 0.28 -0.34 0.00 -0.01 0.00 0.00 64.34 64.26 2gbs n VAL 12 Cb 0.16 -1.80 -0.14 0.00 -0.91 0.00 0.00 33.84 31.15 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 -2.15 2.89 0.33 3.52 -0.11 -0.12 -5.08 118.94 118.21 2gbs s TRP 13 Ca -0.11 -0.84 0.07 0.00 1.22 0.00 0.00 56.10 56.44 2gbs s TRP 13 Cb 0.01 -1.98 -0.02 0.00 -1.50 0.00 0.00 33.47 29.98 2gbs s TRP 13 CO 0.16 -0.41 0.32 0.45 -4.62 0.00 0.00 176.95 172.85 2gbs s SER 14 N 0.95 5.46 0.03 5.86 0.15 -1.26 -3.25 113.70 121.64 2gbs s SER 14 Ca -0.01 -0.41 -0.22 0.00 0.70 0.00 0.00 55.95 56.01 2gbs s SER 14 Cb -0.15 -1.07 -0.15 0.00 -1.71 0.00 0.00 66.02 62.94 2gbs s SER 14 CO -0.00 -0.34 1.34 -0.25 1.20 0.00 0.00 173.24 175.19 2gbs h TRP 15 N 1.20 0.32 -0.16 3.44 -0.00 -1.98 -3.04 115.95 115.71 2gbs h TRP 15 Ca -0.45 -0.09 0.05 0.00 -0.00 0.00 0.00 58.89 58.39 2gbs h TRP 15 Cb 1.25 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 30.34 2gbs h TRP 15 CO 0.51 0.66 0.12 0.22 -0.00 0.00 0.00 178.44 179.95 2gbs h ASP 16 N -0.12 0.00 -0.38 2.65 3.58 -1.99 0.80 116.42 120.96 2gbs h ASP 16 Ca 0.02 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.47 2gbs h ASP 16 Cb 0.60 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 2gbs h ASP 16 CO 0.02 0.00 0.24 -0.61 -2.88 0.00 0.00 179.24 176.02 2gbs h GLN 17 N 0.00 0.52 0.10 0.28 4.15 -1.95 -2.16 115.11 116.05 2gbs h GLN 17 Ca 0.08 -0.04 -0.31 0.00 0.77 0.00 0.00 58.65 59.15 2gbs h GLN 17 Cb 0.31 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 2gbs h GLN 17 CO -0.00 0.36 -1.65 1.96 -1.93 0.00 0.00 178.83 177.57 2gbs h GLN 18 N 0.54 0.20 -0.74 1.69 1.08 -0.96 -3.34 115.11 113.59 2gbs h GLN 18 Ca 0.14 -0.35 0.08 0.00 -1.45 0.00 0.00 58.65 57.08 2gbs h GLN 18 Cb -0.03 0.13 -0.07 0.00 -0.05 0.00 0.00 27.48 27.46 2gbs h GLN 18 CO -0.03 1.02 0.40 0.28 -0.95 0.00 0.00 178.83 179.55 2gbs h VAL 19 N 0.06 0.91 0.00 -0.54 2.07 -0.70 0.13 116.25 118.18 2gbs h VAL 19 Ca -0.28 -0.24 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2gbs h VAL 19 Cb 2.02 0.15 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2gbs h VAL 19 CO 0.13 0.13 -0.02 0.00 0.02 0.00 0.00 177.57 177.83 2gbs h ALA 20 N 1.41 1.01 -0.45 1.67 0.00 -1.56 -2.59 119.26 118.76 2gbs h ALA 20 Ca 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2gbs h ALA 20 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2gbs h ALA 20 CO -0.23 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.67 2gbs n LYS 21 N -3.12 3.33 0.00 0.00 5.02 0.34 -4.55 118.16 119.18 2gbs n LYS 21 Ca 0.00 -2.67 0.05 0.00 -2.02 0.00 0.00 58.31 53.67 2gbs n LYS 21 Cb 0.28 -1.74 0.24 0.00 -0.02 0.00 0.00 35.03 33.80 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 0.44 -0.75 0.13 0.72 0.00 -0.43 0.30 105.19 105.60 2gbs n GLY 22 Ca 0.21 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.40 1.26 -0.07 4.61 0.00 -1.26 -4.55 120.51 119.10 2gbs n ALA 23 Ca 0.04 -0.94 -0.12 0.00 0.00 0.00 0.00 53.44 52.42 2gbs n ALA 23 Cb 0.10 -0.33 -0.15 0.00 0.00 0.00 0.00 19.45 19.08 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 -3.11 1.44 0.00 0.00 0.00 -0.97 -5.10 120.51 112.77 2gbs n ALA 24 Ca -0.39 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 51.96 2gbs n ALA 24 Cb 1.02 -0.39 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 1.79 -1.16 3.02 0.00 0.00 0.15 -4.99 105.19 103.99 2gbs n GLY 25 Ca -0.30 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.76 0.44 -0.33 1.61 2.56 0.87 -4.91 118.70 116.18 2gbs s GLU 26 Ca 0.00 -0.61 -0.26 0.00 0.00 0.00 0.00 54.97 54.09 2gbs s GLU 26 Cb 0.00 -0.21 0.01 0.00 2.00 0.00 0.00 34.13 35.93 2gbs s GLU 26 CO 0.00 0.04 0.93 0.00 -0.56 0.00 0.00 175.26 175.67 2gbs s ALA 27 N -1.16 3.49 -1.41 6.30 0.00 -1.26 -0.18 121.76 127.54 2gbs s ALA 27 Ca -0.09 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 2gbs s ALA 27 Cb -0.08 -3.51 0.05 0.00 0.00 0.00 0.00 23.12 19.58 2gbs s ALA 27 CO 0.00 -1.41 2.07 1.87 0.00 0.00 0.00 175.76 178.29 2gbs n TRP 28 N 6.60 3.91 -2.98 0.00 -0.00 -0.53 -4.94 117.44 119.49 2gbs n TRP 28 Ca 0.08 -2.93 -0.25 0.00 -0.00 0.00 0.00 57.50 54.39 2gbs n TRP 28 Cb 0.48 -2.59 -0.00 0.00 -0.00 0.00 0.00 31.31 29.20 2gbs n TRP 28 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 177.69 178.64 2gbs s THR 29 N 3.53 4.70 0.00 5.87 -4.23 -1.26 -4.41 115.64 119.84 2gbs s THR 29 Ca 0.49 -0.22 0.00 0.00 -1.18 0.00 0.00 61.69 60.78 2gbs s THR 29 Cb 0.11 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.19 2gbs s THR 29 CO -0.03 -0.60 0.00 0.61 -0.54 0.00 0.00 174.62 174.05 2gbs n GLY 30 N -2.06 1.02 3.51 3.99 0.00 -1.26 -5.03 105.19 105.36 2gbs n GLY 30 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 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 4.16 -2.26 1.61 -7.23 -1.26 -4.74 120.40 108.68 2gbs s VAL 31 Ca 0.00 -0.69 0.21 0.00 -1.81 0.00 0.00 61.98 59.69 2gbs s VAL 31 Cb 0.00 -4.90 0.36 0.00 0.56 0.00 0.00 36.38 32.40 2gbs s VAL 31 CO 0.00 -1.74 1.32 -1.14 -0.31 0.00 0.00 175.10 173.23 2gbs n ARG 32 N 8.19 2.33 -2.48 4.82 0.63 -1.26 -4.67 116.66 124.21 2gbs n ARG 32 Ca 0.19 -2.13 -0.43 0.00 -0.92 0.00 0.00 57.85 54.56 2gbs n ARG 32 Cb 0.49 -1.46 -0.02 0.00 0.45 0.00 0.00 32.46 31.92 2gbs n ARG 32 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2gbs s ASN 33 N -1.42 7.04 0.29 6.15 3.84 -1.26 -4.93 114.94 124.65 2gbs s ASN 33 Ca 0.34 1.73 0.01 0.00 0.21 0.00 0.00 52.86 55.14 2gbs s ASN 33 Cb 0.20 -2.55 0.45 0.00 -0.55 0.00 0.00 41.25 38.80 2gbs s ASN 33 CO 0.28 -0.63 1.81 -0.74 -2.79 0.00 0.00 177.10 175.04 2gbs h HIS 34 N 7.64 0.73 0.00 0.43 -0.00 -2.00 -1.89 115.15 120.06 2gbs h HIS 34 Ca -0.31 -0.08 -0.12 0.00 -0.00 0.00 0.00 60.37 59.86 2gbs h HIS 34 Cb 1.14 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 28.32 2gbs h HIS 34 CO 0.75 0.68 -0.58 0.77 -0.00 0.00 0.00 177.93 179.55 2gbs h SER 35 N 0.66 0.00 -0.23 3.26 0.02 -1.99 -0.71 113.55 114.57 2gbs h SER 35 Ca 0.14 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2gbs h SER 35 Cb 0.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2gbs h SER 35 CO 0.01 0.58 -0.03 0.00 -1.14 0.00 0.00 176.83 176.25 2gbs h ALA 36 N 1.42 0.31 -0.58 3.77 0.00 -1.74 -2.48 119.26 119.97 2gbs h ALA 36 Ca -0.01 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2gbs h ALA 36 Cb 1.16 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2gbs h ALA 36 CO 0.08 0.07 0.28 -0.22 0.00 0.00 0.00 179.25 179.46 2gbs h LYS 37 N 0.17 0.50 -0.91 0.00 3.64 -1.16 -1.73 116.57 117.09 2gbs h LYS 37 Ca 0.06 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.46 2gbs h LYS 37 Cb 0.46 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 2gbs h LYS 37 CO 0.02 0.33 0.58 1.25 -2.27 0.00 0.00 179.45 179.36 2gbs h LEU 38 N 0.52 0.94 -0.08 5.20 5.85 -0.91 -0.26 115.31 126.57 2gbs h LEU 38 Ca 0.27 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 2gbs h LEU 38 Cb 0.22 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 2gbs h LEU 38 CO -0.21 0.63 -0.37 0.45 -0.34 0.00 0.00 178.44 178.60 2gbs h HIS 39 N 1.09 0.00 -0.16 1.25 3.86 -1.22 -3.04 115.15 116.93 2gbs h HIS 39 Ca 0.38 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.47 2gbs h HIS 39 Cb 0.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 2gbs h HIS 39 CO -0.02 0.37 -0.41 0.52 0.86 0.00 0.00 177.93 179.25 2gbs h MET 40 N 0.00 0.37 0.00 2.45 2.86 -0.28 -2.59 114.93 117.74 2gbs h MET 40 Ca -0.00 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 2gbs h MET 40 Cb 1.25 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.91 2gbs h MET 40 CO 0.05 0.72 -0.10 0.28 1.06 0.00 0.00 176.91 178.91 2gbs h VAL 41 N 0.31 1.03 -0.01 -2.22 2.07 -0.98 -0.66 116.25 115.78 2gbs h VAL 41 Ca 0.03 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.19 2gbs h VAL 41 Cb 0.85 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2gbs h VAL 41 CO 0.07 0.10 -0.17 0.00 0.02 0.00 0.00 177.57 177.59 2gbs n ALA 42 N -2.50 2.90 -1.73 1.67 0.00 -1.00 -4.92 120.51 114.94 2gbs n ALA 42 Ca -0.03 -0.34 -0.33 0.00 0.00 0.00 0.00 53.44 52.74 2gbs n ALA 42 Cb 0.18 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 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 -2.46 3.54 0.06 0.00 -1.94 -0.26 -4.92 119.30 113.33 2gbs s MET 43 Ca 0.27 1.20 0.03 0.00 -1.71 0.00 0.00 55.69 55.49 2gbs s MET 43 Cb 0.20 -2.06 -0.03 0.00 2.01 0.00 0.00 34.83 34.94 2gbs s MET 43 CO 0.49 -0.63 -0.10 0.50 -0.01 0.00 0.00 175.02 175.27 2gbs s ARG 44 N -3.86 0.67 -0.23 2.03 6.06 -1.26 -4.67 118.95 117.69 2gbs s ARG 44 Ca 0.64 -0.89 -0.29 0.00 -2.50 0.00 0.00 55.73 52.69 2gbs s ARG 44 Cb -0.15 -0.50 -0.03 0.00 0.06 0.00 0.00 34.95 34.32 2gbs s ARG 44 CO 0.32 0.10 1.82 0.50 -2.50 0.00 0.00 175.30 175.53 2gbs s ARG 45 N -1.84 3.57 0.00 5.12 3.52 -1.26 -1.07 118.95 126.98 2gbs s ARG 45 Ca -0.05 1.76 0.00 0.00 -0.13 0.00 0.00 55.73 57.31 2gbs s ARG 45 Cb -0.09 -4.16 0.00 0.00 -1.56 0.00 0.00 34.95 29.14 2gbs s ARG 45 CO 0.01 -1.58 0.00 0.41 -0.81 0.00 0.00 175.30 173.33 2gbs n GLY 46 N 5.09 1.49 3.76 8.12 0.00 0.97 -5.00 105.19 119.63 2gbs n GLY 46 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.96 5.92 0.01 1.61 1.11 -0.23 -4.78 116.67 118.35 2gbs s ASP 47 Ca 0.00 2.59 0.07 0.00 0.18 0.00 0.00 52.55 55.40 2gbs s ASP 47 Cb 0.00 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.34 2gbs s ASP 47 CO 0.00 -1.11 -0.22 -0.13 1.18 0.00 0.00 175.17 174.88 2gbs s ARG 48 N -2.60 1.68 0.19 8.23 0.52 -0.97 -0.22 118.95 125.77 2gbs s ARG 48 Ca 0.64 -0.88 0.07 0.00 -0.52 0.00 0.00 55.73 55.03 2gbs s ARG 48 Cb -0.36 -1.71 -0.05 0.00 0.52 0.00 0.00 34.95 33.35 2gbs s ARG 48 CO 0.45 0.46 -0.13 0.00 0.02 0.00 0.00 175.30 176.09 2gbs s ALA 49 N -0.64 1.83 -0.05 2.13 0.00 0.85 -0.31 121.76 125.57 2gbs s ALA 49 Ca 0.09 -1.60 -0.20 0.00 0.00 0.00 0.00 51.96 50.24 2gbs s ALA 49 Cb -0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.94 2gbs s ALA 49 CO 0.00 0.02 0.56 -0.06 0.00 0.00 0.00 175.76 176.28 2gbs s PHE 50 N -3.08 3.62 -0.82 0.00 0.08 0.08 -0.67 117.98 117.19 2gbs s PHE 50 Ca 0.21 1.10 -0.21 0.00 0.12 0.00 0.00 56.93 58.14 2gbs s PHE 50 Cb 0.00 -2.60 0.09 0.00 -0.57 0.00 0.00 43.02 39.94 2gbs s PHE 50 CO 0.05 0.28 1.11 -0.47 -0.10 0.00 0.00 175.22 176.08 2gbs s TYR 51 N 0.15 2.81 -0.27 0.36 5.04 0.48 -0.85 117.35 125.06 2gbs s TYR 51 Ca 0.30 -0.89 -0.11 0.00 -2.44 0.00 0.00 57.07 53.93 2gbs s TYR 51 Cb -0.17 -4.36 -0.05 0.00 0.35 0.00 0.00 41.96 37.73 2gbs s TYR 51 CO 0.15 -1.65 0.18 -0.47 -1.34 0.00 0.00 175.55 172.42 2gbs s TYR 52 N 3.73 3.25 -0.40 4.97 5.04 -0.06 -0.48 117.35 133.41 2gbs s TYR 52 Ca 0.30 0.15 -0.21 0.00 -2.44 0.00 0.00 57.07 54.87 2gbs s TYR 52 Cb -0.10 -2.34 0.01 0.00 0.35 0.00 0.00 41.96 39.89 2gbs s TYR 52 CO 0.00 -0.08 0.69 -1.01 -1.34 0.00 0.00 175.55 173.81 2gbs s HIS 53 N 1.52 3.09 0.72 4.97 3.76 0.14 -0.41 115.29 129.06 2gbs s HIS 53 Ca 0.07 0.22 -0.06 0.00 -0.15 0.00 0.00 55.06 55.14 2gbs s HIS 53 Cb -0.15 -3.35 0.08 0.00 1.11 0.00 0.00 32.58 30.27 2gbs s HIS 53 CO 0.09 -0.79 1.01 -1.54 -0.85 0.00 0.00 174.74 172.66 2gbs s SER 54 N 1.93 4.62 0.00 1.40 1.04 0.51 0.12 113.70 123.33 2gbs s SER 54 Ca 0.26 0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.94 2gbs s SER 54 Cb -0.14 -0.83 0.00 0.00 0.10 0.00 0.00 66.02 65.16 2gbs s SER 54 CO 0.18 -1.70 0.00 -3.20 0.98 0.00 0.00 173.24 169.50 2gbs n ASN 55 N -2.93 0.00 -4.20 7.02 5.15 -1.26 -4.34 115.26 114.71 2gbs n ASN 55 Ca 0.10 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.64 2gbs n ASN 55 Cb 0.60 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.86 2gbs n ASN 55 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2gbs n GLU 56 N 0.00 3.63 0.00 1.20 1.02 -1.26 -4.26 120.64 120.97 2gbs n GLU 56 Ca 0.00 -3.96 0.00 0.00 -0.02 0.00 0.00 57.16 53.18 2gbs n GLU 56 Cb 0.00 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 28.57 2gbs n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2gbs n GLY 57 N 3.07 3.07 3.42 0.62 0.00 -1.26 -4.77 105.19 109.34 2gbs n GLY 57 Ca 0.34 -0.45 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 2gbs n GLY 57 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbs n LYS 58 N 0.00 -1.43 -3.67 1.61 5.02 0.12 -4.67 118.16 115.14 2gbs n LYS 58 Ca 0.00 1.00 -0.15 0.00 -2.02 0.00 0.00 58.31 57.14 2gbs n LYS 58 Cb 0.00 -4.46 -0.08 0.00 -0.02 0.00 0.00 35.03 30.48 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 -4.35 0.79 -0.29 1.97 -1.05 -0.77 -0.18 118.70 114.82 2gbs s GLU 59 Ca 0.16 0.08 -0.20 0.00 -0.15 0.00 0.00 54.97 54.86 2gbs s GLU 59 Cb -0.05 0.36 -0.01 0.00 -0.44 0.00 0.00 34.13 33.99 2gbs s GLU 59 CO 0.82 -0.22 0.59 0.42 0.95 0.00 0.00 175.26 177.82 2gbs s ILE 60 N -1.07 4.98 -0.09 1.83 1.01 0.17 0.24 121.20 128.27 2gbs s ILE 60 Ca -0.11 0.88 0.18 0.00 0.00 0.00 0.00 60.65 61.60 2gbs s ILE 60 Cb -0.03 -3.94 -0.27 0.00 0.01 0.00 0.00 42.46 38.23 2gbs s ILE 60 CO 0.06 -0.06 0.27 1.33 0.00 0.00 0.00 174.94 176.54 2gbs n VAL 61 N 5.30 0.54 -3.77 2.92 0.24 0.37 -0.62 118.33 123.31 2gbs n VAL 61 Ca -0.02 -0.58 -0.01 0.00 -2.04 0.00 0.00 64.34 61.68 2gbs n VAL 61 Cb 0.49 -0.19 0.01 0.00 -1.47 0.00 0.00 33.84 32.68 2gbs n VAL 61 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2gbs n GLY 62 N 1.61 0.77 3.56 7.63 0.00 -1.25 -0.69 105.19 116.82 2gbs n GLY 62 Ca -0.15 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 2gbs n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gbs s ILE 63 N -2.21 3.94 0.23 -0.61 1.01 -0.30 -0.39 121.20 122.87 2gbs s ILE 63 Ca 0.15 -0.36 0.11 0.00 0.00 0.00 0.00 60.65 60.55 2gbs s ILE 63 Cb -0.02 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.72 2gbs s ILE 63 CO 0.03 0.54 -0.20 0.00 0.00 0.00 0.00 174.94 175.31 2gbs s ALA 64 N -0.17 2.70 0.01 9.38 0.00 0.16 -0.06 121.76 133.78 2gbs s ALA 64 Ca 0.03 -1.74 0.03 0.00 0.00 0.00 0.00 51.96 50.29 2gbs s ALA 64 Cb -0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 2gbs s ALA 64 CO 0.02 0.36 -0.10 -2.00 0.00 0.00 0.00 175.76 174.05 2gbs s GLU 65 N -3.11 0.73 -0.37 0.00 2.12 0.10 -0.10 118.70 118.07 2gbs s GLU 65 Ca 0.26 -0.44 -0.28 0.00 0.36 0.00 0.00 54.97 54.87 2gbs s GLU 65 Cb -0.07 -0.69 0.02 0.00 0.26 0.00 0.00 34.13 33.65 2gbs s GLU 65 CO 0.13 0.18 1.03 0.42 -0.54 0.00 0.00 175.26 176.48 2gbs s ILE 66 N -0.45 4.48 -1.38 -3.70 -1.09 0.69 -1.29 121.20 118.45 2gbs s ILE 66 Ca 0.02 1.42 0.14 0.00 -2.23 0.00 0.00 60.65 60.00 2gbs s ILE 66 Cb -0.05 -4.42 0.30 0.00 -1.58 0.00 0.00 42.46 36.71 2gbs s ILE 66 CO 0.00 -0.61 1.21 2.30 -1.23 0.00 0.00 174.94 176.61 2gbs n ILE 67 N 6.11 0.68 -3.66 2.92 -5.35 0.32 -0.02 119.36 120.35 2gbs n ILE 67 Ca 0.10 -0.84 -0.07 0.00 -0.27 0.00 0.00 62.75 61.67 2gbs n ILE 67 Cb 0.48 0.76 -0.08 0.00 -1.74 0.00 0.00 39.64 39.06 2gbs n ILE 67 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 2gbs s ARG 68 N -1.06 0.52 1.08 6.28 3.52 -1.23 -4.92 118.95 123.14 2gbs s ARG 68 Ca 0.26 1.12 -0.18 0.00 -0.13 0.00 0.00 55.73 56.80 2gbs s ARG 68 Cb 0.14 0.29 0.24 0.00 -1.56 0.00 0.00 34.95 34.07 2gbs s ARG 68 CO 0.19 -0.18 1.21 -1.21 -0.81 0.00 0.00 175.30 174.50 2gbs s GLU 69 N 2.04 -0.31 -0.34 5.12 2.02 -1.26 -3.32 118.70 122.64 2gbs s GLU 69 Ca -0.07 -0.23 -0.27 0.00 0.02 0.00 0.00 54.97 54.42 2gbs s GLU 69 Cb -0.09 -1.72 -0.06 0.00 0.10 0.00 0.00 34.13 32.37 2gbs s GLU 69 CO -0.16 -3.08 2.31 0.00 0.02 0.00 0.00 175.26 174.35 2gbs s ALA 70 N -3.43 2.22 0.27 5.21 0.00 -1.26 -4.72 121.76 120.05 2gbs s ALA 70 Ca 0.72 0.44 0.10 0.00 0.00 0.00 0.00 51.96 53.22 2gbs s ALA 70 Cb -0.07 -4.20 -0.04 0.00 0.00 0.00 0.00 23.12 18.80 2gbs s ALA 70 CO 0.55 -3.57 -0.04 1.52 0.00 0.00 0.00 175.76 174.22 2gbs s TYR 71 N 10.13 2.61 0.17 0.00 -0.85 -0.97 -4.89 117.35 123.55 2gbs s TYR 71 Ca 0.99 -0.26 -0.32 0.00 -0.52 0.00 0.00 57.07 56.96 2gbs s TYR 71 Cb -0.26 -1.18 -0.12 0.00 0.38 0.00 0.00 41.96 40.79 2gbs s TYR 71 CO 0.31 0.63 1.72 -0.35 -1.52 0.00 0.00 175.55 176.34 2gbs n PRO 72 N -0.85 2.63 -2.21 -3.49 -0.04 -1.26 0.26 135.00 130.05 2gbs n PRO 72 Ca -0.06 0.95 -0.42 0.00 -0.04 0.00 0.00 63.50 63.93 2gbs n PRO 72 Cb 0.59 -2.79 -0.03 0.00 -0.04 0.00 0.00 33.50 31.23 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 1.55 6.87 0.16 3.54 -1.08 -0.06 -4.66 116.67 122.99 2gbs s ASP 73 Ca 0.78 2.32 0.10 0.00 -0.52 0.00 0.00 52.55 55.23 2gbs s ASP 73 Cb -0.54 -2.59 0.55 0.00 -1.46 0.00 0.00 42.92 38.88 2gbs s ASP 73 CO 0.35 -0.60 1.28 -2.65 0.52 0.00 0.00 175.17 174.07 2gbs n PRO 74 N 3.58 0.07 0.22 4.34 -0.02 -1.26 -0.95 135.00 140.97 2gbs n PRO 74 Ca 0.10 0.54 0.11 0.00 -2.02 0.00 0.00 63.50 62.23 2gbs n PRO 74 Cb 0.43 -1.77 0.35 0.00 -0.02 0.00 0.00 33.50 32.49 2gbs n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2gbs h THR 75 N 0.00 0.35 -3.20 3.45 1.03 -1.96 -3.43 112.91 109.15 2gbs h THR 75 Ca 0.00 -1.17 -0.67 0.00 -0.01 0.00 0.00 66.41 64.56 2gbs h THR 75 Cb 0.10 1.90 -0.32 0.00 -1.07 0.00 0.00 68.15 68.76 2gbs h THR 75 CO 0.00 0.17 -0.82 -0.62 -0.01 0.00 0.00 175.52 174.23 2gbs s ASP 76 N -6.14 3.47 0.17 0.00 2.15 -0.13 -5.00 116.67 111.19 2gbs s ASP 76 Ca 0.03 -0.55 -0.02 0.00 0.43 0.00 0.00 52.55 52.44 2gbs s ASP 76 Cb 0.08 -1.54 0.05 0.00 -0.30 0.00 0.00 42.92 41.21 2gbs s ASP 76 CO 0.65 0.03 1.43 0.00 -0.17 0.00 0.00 175.17 177.11 2gbs h ALA 77 N 7.69 0.58 0.00 3.66 0.00 -1.83 -3.12 119.26 126.24 2gbs h ALA 77 Ca -0.39 -0.60 -0.06 0.00 0.00 0.00 0.00 54.91 53.86 2gbs h ALA 77 Cb 1.17 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2gbs h ALA 77 CO 0.60 0.75 -0.29 1.03 0.00 0.00 0.00 179.25 181.34 2gbs h SER 78 N 0.31 0.00 -0.17 0.00 0.87 -1.94 -3.47 113.55 109.15 2gbs h SER 78 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2gbs h SER 78 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2gbs h SER 78 CO 0.13 0.29 0.00 0.61 -0.53 0.00 0.00 176.83 177.32 2gbs n GLY 79 N 0.13 0.83 0.14 5.77 0.00 -1.18 -4.98 105.19 105.90 2gbs n GLY 79 Ca -0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.23 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 0.41 -6.22 1.61 3.64 -1.91 -3.46 116.57 110.65 2gbs h LYS 80 Ca 0.00 -0.37 -0.51 0.00 -1.27 0.00 0.00 60.65 58.50 2gbs h LYS 80 Cb 0.74 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 2gbs h LYS 80 CO 0.00 1.02 -0.36 -0.06 -2.27 0.00 0.00 179.45 177.77 2gbs s PHE 81 N -3.50 3.48 0.36 1.91 0.08 -1.26 -5.02 117.98 114.02 2gbs s PHE 81 Ca -0.13 0.22 0.09 0.00 0.12 0.00 0.00 56.93 57.22 2gbs s PHE 81 Cb 0.04 -1.76 -0.07 0.00 -0.57 0.00 0.00 43.02 40.67 2gbs s PHE 81 CO 0.80 0.39 -0.08 0.14 -0.10 0.00 0.00 175.22 176.38 2gbs s VAL 82 N -1.92 2.19 0.06 -0.44 -7.23 -1.26 -0.88 120.40 110.91 2gbs s VAL 82 Ca 0.37 -2.17 -0.05 0.00 -1.81 0.00 0.00 61.98 58.32 2gbs s VAL 82 Cb -0.10 -2.71 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 2gbs s VAL 82 CO 0.30 -0.17 0.09 0.00 -0.31 0.00 0.00 175.10 175.01 2gbs s VAL 84 N -3.40 0.80 -0.24 0.00 -7.23 -1.26 -2.28 120.40 106.80 2gbs s VAL 84 Ca 0.02 -1.17 -0.20 0.00 -1.81 0.00 0.00 61.98 58.82 2gbs s VAL 84 Cb 0.03 -0.82 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 2gbs s VAL 84 CO -0.08 -0.30 0.60 -1.81 -0.31 0.00 0.00 175.10 173.19 2gbs s ASP 85 N -1.63 6.58 0.02 4.85 1.11 -1.21 -1.46 116.67 124.92 2gbs s ASP 85 Ca -0.06 0.70 0.05 0.00 0.18 0.00 0.00 52.55 53.42 2gbs s ASP 85 Cb -0.10 -2.32 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 2gbs s ASP 85 CO 0.01 -0.31 -0.13 0.27 1.18 0.00 0.00 175.17 176.19 2gbs s ILE 86 N 2.23 3.14 -0.04 0.77 -4.36 0.75 -0.52 121.20 123.17 2gbs s ILE 86 Ca 0.26 -0.98 0.03 0.00 -0.26 0.00 0.00 60.65 59.70 2gbs s ILE 86 Cb -0.16 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.23 2gbs s ILE 86 CO 0.09 0.39 -0.13 -1.59 0.24 0.00 0.00 174.94 173.94 2gbs s LYS 87 N -1.35 1.41 0.02 0.37 -2.85 -0.41 -0.09 119.74 116.84 2gbs s LYS 87 Ca 0.15 -0.47 -0.30 0.00 -1.00 0.00 0.00 55.97 54.35 2gbs s LYS 87 Cb -0.11 -1.26 -0.08 0.00 -2.06 0.00 0.00 37.83 34.33 2gbs s LYS 87 CO 0.06 0.18 1.82 0.00 0.10 0.00 0.00 175.35 177.51 2gbs s ALA 88 N 0.13 3.62 -0.10 0.59 0.00 -1.26 -0.72 121.76 124.02 2gbs s ALA 88 Ca -0.04 1.20 -0.07 0.00 0.00 0.00 0.00 51.96 53.06 2gbs s ALA 88 Cb -0.10 -3.79 -0.02 0.00 0.00 0.00 0.00 23.12 19.20 2gbs s ALA 88 CO 0.01 -1.44 -0.13 -3.47 0.00 0.00 0.00 175.76 170.74 2gbs n ASP 89 N 7.04 1.23 -3.69 0.00 2.03 0.92 -4.37 116.55 119.71 2gbs n ASP 89 Ca 0.18 0.49 -0.10 0.00 0.52 0.00 0.00 54.79 55.89 2gbs n ASP 89 Cb 0.41 -0.75 -0.11 0.00 -0.72 0.00 0.00 41.12 39.96 2gbs n ASP 89 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2gbs s LYS 90 N -1.87 0.41 0.52 -0.67 2.20 -1.22 -5.01 119.74 114.10 2gbs s LYS 90 Ca -0.11 0.83 -0.15 0.00 -0.36 0.00 0.00 55.97 56.18 2gbs s LYS 90 Cb 0.01 -0.00 -0.07 0.00 -1.51 0.00 0.00 37.83 36.26 2gbs s LYS 90 CO 0.16 -0.16 0.97 -1.25 -0.36 0.00 0.00 175.35 174.71 2gbs s PRO 91 N 1.45 3.87 0.07 4.03 0.04 -1.26 -1.14 135.00 142.06 2gbs s PRO 91 Ca -0.09 0.87 -0.24 0.00 0.04 0.00 0.00 61.00 61.58 2gbs s PRO 91 Cb -0.08 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2gbs s PRO 91 CO -0.13 -0.30 0.73 -0.51 0.04 0.00 0.00 177.00 176.82 2gbs s LEU 92 N -4.25 4.49 0.00 -3.56 1.43 0.14 -4.88 118.68 112.04 2gbs s LEU 92 Ca 0.57 1.44 0.29 0.00 -1.03 0.00 0.00 54.13 55.40 2gbs s LEU 92 Cb -0.10 -3.17 1.24 0.00 0.03 0.00 0.00 46.19 44.19 2gbs s LEU 92 CO 0.35 0.10 1.92 0.29 0.23 0.00 0.00 176.35 179.24 2gbs n LYS 93 N 2.39 0.10 -3.62 1.70 4.01 0.12 -4.31 118.16 118.54 2gbs n LYS 93 Ca -0.05 -0.01 -0.29 0.00 -0.51 0.00 0.00 58.31 57.46 2gbs n LYS 93 Cb 0.50 -1.50 -0.15 0.00 -0.51 0.00 0.00 35.03 33.37 2gbs n LYS 93 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 2gbs s THR 94 N -2.91 0.28 -0.01 -0.18 2.01 -0.01 -4.88 115.64 109.95 2gbs s THR 94 Ca 0.17 -0.93 -0.35 0.00 0.31 0.00 0.00 61.69 60.88 2gbs s THR 94 Cb 0.19 -1.19 -0.14 0.00 0.01 0.00 0.00 72.50 71.37 2gbs s THR 94 CO 0.53 -0.66 1.67 -0.81 -0.69 0.00 0.00 174.62 174.65 2gbs n PRO 95 N 5.11 1.83 -2.97 4.92 -0.04 -1.26 -4.45 135.00 138.13 2gbs n PRO 95 Ca -0.05 0.66 -0.44 0.00 -0.04 0.00 0.00 63.50 63.64 2gbs n PRO 95 Cb 0.43 -2.42 -0.03 0.00 -0.04 0.00 0.00 33.50 31.43 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 2.32 4.70 0.91 0.52 1.01 0.21 -4.83 120.40 125.24 2gbs s VAL 96 Ca 0.88 -1.20 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 2gbs s VAL 96 Cb -0.79 -4.68 0.14 0.00 0.00 0.00 0.00 36.38 31.05 2gbs s VAL 96 CO 0.48 -1.39 1.10 0.42 0.00 0.00 0.00 175.10 175.72 2gbs s THR 97 N 2.88 2.43 0.49 3.92 -4.23 -1.26 0.43 115.64 120.30 2gbs s THR 97 Ca 0.25 0.14 0.24 0.00 -1.18 0.00 0.00 61.69 61.14 2gbs s THR 97 Cb -0.12 -2.73 0.29 0.00 1.34 0.00 0.00 72.50 71.28 2gbs s THR 97 CO -0.01 -0.18 2.12 0.25 -0.54 0.00 0.00 174.62 176.26 2gbs h LEU 98 N -1.56 0.00 -0.77 4.79 5.85 -0.84 0.15 115.31 122.93 2gbs h LEU 98 Ca -0.51 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.10 2gbs h LEU 98 Cb 1.30 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 2gbs h LEU 98 CO 0.58 0.08 -0.31 0.00 -0.34 0.00 0.00 178.44 178.45 2gbs h ALA 99 N 1.92 0.95 -0.04 1.25 0.00 -1.91 -1.81 119.26 119.61 2gbs h ALA 99 Ca -0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 2gbs h ALA 99 Cb 0.19 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2gbs h ALA 99 CO 0.01 0.61 -0.65 0.00 0.00 0.00 0.00 179.25 179.22 2gbs h ALA 100 N 1.17 0.82 -0.74 0.00 0.00 -1.35 -2.18 119.26 116.98 2gbs h ALA 100 Ca 0.06 -0.58 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 2gbs h ALA 100 Cb 0.78 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 2gbs h ALA 100 CO 0.06 0.77 0.22 0.28 0.00 0.00 0.00 179.25 180.58 2gbs h VAL 101 N 0.12 1.26 0.00 0.00 2.07 -0.99 -1.94 116.25 116.78 2gbs h VAL 101 Ca -0.01 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2gbs h VAL 101 Cb 1.17 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2gbs h VAL 101 CO 0.10 0.37 0.00 0.29 0.02 0.00 0.00 177.57 178.34 2gbs n LYS 102 N -4.25 0.46 0.00 1.57 5.02 -0.70 -2.64 118.16 117.62 2gbs n LYS 102 Ca 0.06 0.03 0.13 0.00 -2.02 0.00 0.00 58.31 56.51 2gbs n LYS 102 Cb 0.24 -1.50 0.49 0.00 -0.02 0.00 0.00 35.03 34.24 2gbs n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2gbs n ALA 103 N -1.24 2.82 -3.76 7.82 0.00 -0.73 -4.59 120.51 120.84 2gbs n ALA 103 Ca 0.14 -0.21 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 2gbs n ALA 103 Cb 0.19 -1.33 -0.16 0.00 0.00 0.00 0.00 19.45 18.15 2gbs n ALA 103 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2gbs s GLU 104 N -2.93 0.79 0.63 0.00 2.56 -1.08 -5.01 118.70 113.66 2gbs s GLU 104 Ca 0.15 -0.70 0.33 0.00 0.00 0.00 0.00 54.97 54.75 2gbs s GLU 104 Cb 0.19 -2.12 1.83 0.00 2.00 0.00 0.00 34.13 36.03 2gbs s GLU 104 CO 0.58 -0.75 2.12 -1.00 -0.56 0.00 0.00 175.26 175.65 2gbs h PRO 105 N 8.16 0.00 0.00 4.30 0.13 -1.81 0.23 132.00 143.01 2gbs h PRO 105 Ca -0.16 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.94 2gbs h PRO 105 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2gbs h PRO 105 CO 0.39 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 177.99 2gbs h ARG 106 N 0.00 0.00 0.00 0.86 3.08 -1.95 -3.03 114.38 113.34 2gbs h ARG 106 Ca 0.05 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2gbs h ARG 106 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 2gbs h ARG 106 CO -0.00 0.17 -1.80 1.28 -1.07 0.00 0.00 179.97 178.54 2gbs n LEU 107 N -3.24 0.19 0.00 3.04 4.77 0.69 -4.10 117.00 118.35 2gbs n LEU 107 Ca 0.01 0.08 0.06 0.00 -0.03 0.00 0.00 56.01 56.12 2gbs n LEU 107 Cb 0.46 0.01 0.33 0.00 -2.33 0.00 0.00 43.42 41.89 2gbs n LEU 107 CO 0.33 -0.01 0.60 0.00 -1.33 0.00 0.00 177.39 176.98 2gbs n ALA 108 N -2.27 2.27 0.74 -1.18 0.00 -0.45 -1.70 120.51 117.92 2gbs n ALA 108 Ca -0.05 -0.07 0.08 0.00 0.00 0.00 0.00 53.44 53.40 2gbs n ALA 108 Cb 0.60 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.75 1.35 -4.74 0.00 2.03 -1.24 -4.79 116.55 108.41 2gbs n ASP 109 Ca 0.08 -1.17 -0.31 0.00 0.52 0.00 0.00 54.79 53.91 2gbs n ASP 109 Cb 0.04 0.65 0.11 0.00 -0.72 0.00 0.00 41.12 41.20 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 -2.13 1.96 0.67 -0.67 1.75 -0.69 -4.89 119.30 115.30 2gbs s MET 110 Ca 0.11 1.27 0.44 0.00 -1.25 0.00 0.00 55.69 56.26 2gbs s MET 110 Cb 0.13 -1.86 2.39 0.00 2.84 0.00 0.00 34.83 38.33 2gbs s MET 110 CO 0.50 -1.88 2.35 0.00 -0.65 0.00 0.00 175.02 175.34 2gbs h ALA 111 N -1.28 1.03 0.00 4.11 0.00 -1.89 -0.67 119.26 120.56 2gbs h ALA 111 Ca -0.43 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 2gbs h ALA 111 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2gbs h ALA 111 CO 0.49 -0.02 -0.02 1.25 0.00 0.00 0.00 179.25 180.95 2gbs h LEU 112 N 0.00 0.00 0.00 0.00 5.85 -1.90 0.52 115.31 119.78 2gbs h LEU 112 Ca 0.00 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.63 2gbs h LEU 112 Cb 0.04 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 2gbs h LEU 112 CO -0.00 0.02 -1.75 0.80 -0.34 0.00 0.00 178.44 177.17 2gbs n MET 113 N -3.13 0.65 -0.03 1.25 1.56 -0.26 -4.59 117.12 112.56 2gbs n MET 113 Ca -0.01 -0.03 -0.03 0.00 -0.27 0.00 0.00 57.70 57.36 2gbs n MET 113 Cb 0.24 -1.63 -0.04 0.00 2.15 0.00 0.00 33.22 33.93 2gbs n MET 113 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2gbs n LYS 114 N -2.53 2.30 -3.86 2.12 5.02 -1.01 -4.88 118.16 115.32 2gbs n LYS 114 Ca -0.09 0.01 -0.29 0.00 -2.02 0.00 0.00 58.31 55.92 2gbs n LYS 114 Cb 0.71 -1.14 -0.13 0.00 -0.02 0.00 0.00 35.03 34.44 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 -2.14 2.96 0.17 2.13 2.02 0.18 -4.92 117.35 117.74 2gbs s TYR 115 Ca -0.05 -3.04 0.01 0.00 -0.37 0.00 0.00 57.07 53.63 2gbs s TYR 115 Cb 0.02 -2.51 0.02 0.00 -0.40 0.00 0.00 41.96 39.09 2gbs s TYR 115 CO 0.21 -0.70 1.40 0.77 -1.57 0.00 0.00 175.55 175.66 2gbs h SER 116 N 6.18 0.33 0.79 2.29 0.02 -1.83 -3.20 113.55 118.14 2gbs h SER 116 Ca 0.02 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2gbs h SER 116 Cb 0.86 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2gbs h SER 116 CO 0.64 1.03 0.00 0.54 -1.14 0.00 0.00 176.83 177.90 2gbs n ARG 117 N -3.73 0.01 -2.63 3.45 1.74 -1.26 -4.46 116.66 109.79 2gbs n ARG 117 Ca -0.04 0.09 -0.42 0.00 -0.77 0.00 0.00 57.85 56.72 2gbs n ARG 117 Cb 0.77 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.68 2gbs n ARG 117 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2gbs s LEU 118 N -2.98 3.50 0.31 0.55 2.96 -1.21 -4.87 118.68 116.93 2gbs s LEU 118 Ca 0.12 -0.50 0.12 0.00 -0.22 0.00 0.00 54.13 53.65 2gbs s LEU 118 Cb 0.15 -2.61 0.47 0.00 0.50 0.00 0.00 46.19 44.71 2gbs s LEU 118 CO 0.43 -1.69 1.67 0.28 -1.32 0.00 0.00 176.35 175.72 2gbs h SER 119 N 9.84 0.00 -3.69 3.68 0.02 -1.89 -3.38 113.55 118.13 2gbs h SER 119 Ca -0.28 0.00 -0.64 0.00 -0.84 0.00 0.00 61.79 60.03 2gbs h SER 119 Cb 1.06 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.19 2gbs h SER 119 CO 1.24 0.54 -0.71 -0.69 -1.14 0.00 0.00 176.83 176.06 2gbs s VAL 120 N -3.73 2.09 0.15 2.27 1.01 -1.26 -2.45 120.40 118.47 2gbs s VAL 120 Ca -0.01 -2.34 0.07 0.00 0.00 0.00 0.00 61.98 59.69 2gbs s VAL 120 Cb 0.13 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2gbs s VAL 120 CO 0.75 -0.65 -0.04 0.00 0.00 0.00 0.00 175.10 175.15 2gbs s GLN 121 N 0.83 2.28 0.32 2.72 -2.07 -1.01 -4.85 119.66 117.87 2gbs s GLN 121 Ca 0.12 -1.08 -0.18 0.00 -1.82 0.00 0.00 55.36 52.40 2gbs s GLN 121 Cb -0.20 -2.33 -0.09 0.00 -1.09 0.00 0.00 33.01 29.30 2gbs s GLN 121 CO -0.09 0.48 0.78 -1.25 -1.32 0.00 0.00 175.29 173.89 2gbs s PRO 122 N -2.64 4.14 -0.04 9.60 0.05 -1.26 -0.60 135.00 144.25 2gbs s PRO 122 Ca 0.25 0.84 0.02 0.00 0.05 0.00 0.00 61.00 62.17 2gbs s PRO 122 Cb -0.10 -2.53 0.01 0.00 0.05 0.00 0.00 34.50 31.93 2gbs s PRO 122 CO 0.17 0.19 -0.09 0.08 0.05 0.00 0.00 177.00 177.40 2gbs s VAL 123 N -1.88 0.84 0.68 -0.36 1.01 0.67 -4.74 120.40 116.63 2gbs s VAL 123 Ca 0.52 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 2gbs s VAL 123 Cb -0.12 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.51 2gbs s VAL 123 CO 0.18 0.27 1.06 0.42 0.00 0.00 0.00 175.10 177.03 2gbs s THR 124 N 0.38 3.49 0.30 3.92 -4.23 -1.26 -3.96 115.64 114.28 2gbs s THR 124 Ca -0.07 0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 2gbs s THR 124 Cb -0.11 -3.46 0.13 0.00 1.34 0.00 0.00 72.50 70.40 2gbs s THR 124 CO 0.01 -0.59 1.82 0.00 -0.54 0.00 0.00 174.62 175.32 2gbs h ALA 125 N -0.57 1.25 -0.46 3.99 0.00 -1.98 0.21 119.26 121.71 2gbs h ALA 125 Ca -0.45 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 2gbs h ALA 125 Cb 1.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2gbs h ALA 125 CO 0.63 0.50 0.19 1.05 0.00 0.00 0.00 179.25 181.62 2gbs h GLU 126 N 0.59 0.68 -0.08 0.00 9.09 -1.99 0.67 114.58 123.53 2gbs h GLU 126 Ca 0.12 -0.12 -0.02 0.00 0.05 0.00 0.00 59.36 59.39 2gbs h GLU 126 Cb 0.40 -0.11 -0.00 0.00 -1.65 0.00 0.00 28.75 27.39 2gbs h GLU 126 CO 0.02 0.61 -0.04 0.93 0.05 0.00 0.00 179.01 180.57 2gbs h GLU 127 N 0.60 0.17 -0.08 1.06 5.08 -1.84 -2.43 114.58 117.12 2gbs h GLU 127 Ca 0.15 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 2gbs h GLU 127 Cb 0.18 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 2gbs h GLU 127 CO -0.01 0.54 -0.53 2.35 -1.00 0.00 0.00 179.01 180.36 2gbs h TRP 128 N -0.21 -1.55 -0.42 4.33 2.91 -0.46 -1.18 115.95 119.36 2gbs h TRP 128 Ca 0.02 0.06 -0.04 0.00 1.13 0.00 0.00 58.89 60.05 2gbs h TRP 128 Cb 0.49 0.69 -0.02 0.00 -0.51 0.00 0.00 29.16 29.81 2gbs h TRP 128 CO 0.07 -0.55 0.08 0.87 -1.03 0.00 0.00 178.44 177.88 2gbs h LYS 129 N -0.61 0.64 -0.16 2.65 1.57 -0.93 -1.40 116.57 118.33 2gbs h LYS 129 Ca 0.03 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2gbs h LYS 129 Cb 0.69 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 2gbs h LYS 129 CO -0.40 0.60 0.04 1.25 -0.57 0.00 0.00 179.45 180.36 2gbs h LEU 130 N 0.62 0.24 -0.48 2.94 5.85 -1.00 -0.67 115.31 122.81 2gbs h LEU 130 Ca 0.14 -0.23 -0.11 0.00 0.84 0.00 0.00 57.88 58.52 2gbs h LEU 130 Cb 0.26 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2gbs h LEU 130 CO -0.00 0.41 -0.12 0.58 -0.34 0.00 0.00 178.44 178.97 2gbs h VAL 131 N 0.06 1.27 -0.11 1.05 2.07 -0.97 0.61 116.25 120.22 2gbs h VAL 131 Ca 0.05 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.32 2gbs h VAL 131 Cb 0.27 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 2gbs h VAL 131 CO 0.00 0.43 0.07 0.00 0.02 0.00 0.00 177.57 178.10 2gbs h LYS 133 N 0.15 0.58 0.00 0.00 3.64 -1.01 -1.34 116.57 118.59 2gbs h LYS 133 Ca 0.04 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 2gbs h LYS 133 Cb -0.01 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2gbs h LYS 133 CO -0.01 0.52 -0.08 1.98 -2.27 0.00 0.00 179.45 179.59 2gbs h MET 134 N 0.57 0.00 -0.91 1.90 4.05 -0.21 -2.85 114.93 117.48 2gbs h MET 134 Ca 0.13 0.00 -0.12 0.00 -0.28 0.00 0.00 59.70 59.43 2gbs h MET 134 Cb 0.20 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 30.93 2gbs h MET 134 CO -0.01 0.08 0.16 0.41 0.23 0.00 0.00 176.91 177.78 2gbs n GLY 135 N 0.53 2.68 0.88 1.39 0.00 0.83 -4.79 105.19 106.71 2gbs n GLY 135 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 0.78 0.77 -0.02 0.00 -1.20 -0.70 105.19 104.82 2gbs n GLY 136 Ca 0.20 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.32 2gbs n GLY 136 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gbs n LEU 137 N 0.00 2.35 -0.08 0.99 4.32 -1.11 -4.07 117.00 119.40 2gbs n LEU 137 Ca 0.00 -0.93 -0.14 0.00 -0.02 0.00 0.00 56.01 54.92 2gbs n LEU 137 Cb 0.00 -0.11 -0.03 0.00 -1.62 0.00 0.00 43.42 41.66 2gbs n LEU 137 CO 0.00 0.47 0.46 0.25 -1.22 0.00 0.00 177.39 177.34 2gbs h LEU 138 N 3.26 0.97 0.00 2.23 5.85 -1.74 -3.43 115.31 122.45 2gbs h LEU 138 Ca 0.00 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2gbs h LEU 138 Cb 0.71 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2gbs h LEU 138 CO 0.00 1.30 0.00 -0.62 -0.34 0.00 0.00 178.44 178.78 2gbs n GLU 139 N -4.01 0.00 -0.29 1.25 -0.58 -1.26 -4.76 120.64 110.99 2gbs n GLU 139 Ca -0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.70 2gbs n GLU 139 Cb 0.61 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.48 2gbs n GLU 139 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2gbs n HIS 140 N 0.00 0.00 -0.03 -0.32 -0.00 -1.26 -4.56 115.22 109.05 2gbs n HIS 140 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 2gbs n HIS 140 Cb 0.00 -0.70 -0.13 0.00 -0.00 0.00 0.00 29.99 29.16 2gbs n HIS 140 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2gbs n HIS 141 N -2.00 0.00 -4.01 1.57 8.25 -1.26 -5.03 115.22 112.73 2gbs n HIS 141 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 2gbs n HIS 141 Cb 0.00 -0.53 -0.03 0.00 1.12 0.00 0.00 29.99 30.55 2gbs n HIS 141 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2gbs s HIS 142 N -2.94 0.65 0.00 4.41 5.65 -1.26 -5.19 115.29 116.61 2gbs s HIS 142 Ca -0.07 -1.00 0.00 0.00 0.25 0.00 0.00 55.06 54.24 2gbs s HIS 142 Cb 0.09 0.17 0.00 0.00 -1.18 0.00 0.00 32.58 31.66 2gbs s HIS 142 CO 0.70 -1.15 0.00 -2.39 -0.65 0.00 0.00 174.74 171.25 2gbs n HIS 143 N -0.49 -0.26 -1.67 3.88 1.44 -1.26 -4.83 115.22 112.04 2gbs n HIS 143 Ca -0.02 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.27 2gbs n HIS 143 Cb 0.61 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.69 2gbs n HIS 143 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2gbs s HIS 144 N -3.74 1.27 0.00 -1.40 3.76 -1.26 -5.15 115.29 108.77 2gbs s HIS 144 Ca 0.00 0.22 0.00 0.00 -0.15 0.00 0.00 55.06 55.13 2gbs s HIS 144 Cb 0.00 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.65 2gbs s HIS 144 CO 0.00 -4.47 0.00 0.72 -0.85 0.00 0.00 174.74 170.14