#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 3.24 -0.04 3.52 0.00 -1.26 -4.96 121.76 122.27 2gbs s ALA 2 Ca 0.00 -2.22 0.06 0.00 0.00 0.00 0.00 51.96 49.80 2gbs s ALA 2 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2gbs s ALA 2 CO 0.00 -0.10 -0.23 0.71 0.00 0.00 0.00 175.76 176.14 2gbs s TYR 3 N -2.66 2.14 0.21 0.00 2.02 -1.23 -1.35 117.35 116.47 2gbs s TYR 3 Ca 0.36 -0.52 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 2gbs s TYR 3 Cb 0.07 -1.40 -0.01 0.00 -0.40 0.00 0.00 41.96 40.22 2gbs s TYR 3 CO 0.19 -0.12 0.11 0.91 -1.57 0.00 0.00 175.55 175.08 2gbs n TRP 4 N 2.76 -0.15 -3.69 2.71 7.02 -0.33 -0.19 117.44 125.57 2gbs n TRP 4 Ca -0.17 -1.50 -0.12 0.00 -1.02 0.00 0.00 57.50 54.69 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 -0.06 -0.07 -0.99 0.20 0.07 -0.82 118.68 117.00 2gbs s LEU 5 Ca 0.16 0.67 0.02 0.00 0.69 0.00 0.00 54.13 55.68 2gbs s LEU 5 Cb 0.01 0.91 -0.02 0.00 -0.43 0.00 0.00 46.19 46.65 2gbs s LEU 5 CO 0.11 -0.20 -0.13 0.68 -0.29 0.00 0.00 176.35 176.51 2gbs s VAL 6 N 1.86 3.10 -0.27 1.68 -7.23 -0.31 -1.53 120.40 117.70 2gbs s VAL 6 Ca -0.05 -0.69 -0.07 0.00 -1.81 0.00 0.00 61.98 59.36 2gbs s VAL 6 Cb -0.11 -2.24 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 2gbs s VAL 6 CO -0.10 0.57 0.06 -0.54 -0.31 0.00 0.00 175.10 174.79 2gbs s LYS 7 N -0.42 3.35 -0.02 4.82 1.02 -1.14 -1.14 119.74 126.21 2gbs s LYS 7 Ca 0.05 -0.68 0.00 0.00 0.02 0.00 0.00 55.97 55.36 2gbs s LYS 7 Cb -0.12 -3.32 0.02 0.00 -0.52 0.00 0.00 37.83 33.90 2gbs s LYS 7 CO 0.02 -0.31 0.02 0.45 -0.92 0.00 0.00 175.35 174.61 2gbs s SER 8 N 1.55 0.11 0.33 2.83 0.15 0.22 -4.85 113.70 114.03 2gbs s SER 8 Ca 0.05 0.02 -0.28 0.00 0.70 0.00 0.00 55.95 56.44 2gbs s SER 8 Cb -0.16 -0.07 -0.09 0.00 -1.71 0.00 0.00 66.02 63.98 2gbs s SER 8 CO 0.02 -0.10 1.15 -1.61 1.20 0.00 0.00 173.24 173.91 2gbs s GLU 9 N 0.85 4.40 0.51 5.44 2.02 -1.26 -1.71 118.70 128.95 2gbs s GLU 9 Ca -0.07 1.87 0.25 0.00 0.02 0.00 0.00 54.97 57.04 2gbs s GLU 9 Cb -0.10 -2.99 1.38 0.00 0.10 0.00 0.00 34.13 32.51 2gbs s GLU 9 CO -0.02 -0.03 2.07 -1.00 0.02 0.00 0.00 175.26 176.30 2gbs h PRO 10 N 3.33 0.00 -0.54 0.39 0.13 -1.75 0.17 132.00 133.73 2gbs h PRO 10 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 2gbs h PRO 10 Cb 1.22 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.32 2gbs h PRO 10 CO 0.65 0.13 0.22 0.77 -0.23 0.00 0.00 178.00 179.54 2gbs h SER 11 N 0.00 0.71 0.00 1.44 0.02 -1.91 -3.32 113.55 110.49 2gbs h SER 11 Ca -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2gbs h SER 11 Cb 0.31 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2gbs h SER 11 CO 0.02 0.63 -0.16 0.58 -1.14 0.00 0.00 176.83 176.76 2gbs h VAL 12 N 0.77 0.00 -3.48 2.27 2.07 -1.57 -3.48 116.25 112.84 2gbs h VAL 12 Ca 0.19 -0.54 -0.39 0.00 0.82 0.00 0.00 66.70 66.77 2gbs h VAL 12 Cb 0.14 0.00 -0.34 0.00 -1.52 0.00 0.00 31.29 29.57 2gbs h VAL 12 CO -0.02 0.00 -0.77 0.86 0.02 0.00 0.00 177.57 177.66 2gbs s TRP 13 N -1.51 0.65 0.23 1.57 -0.11 0.45 -5.04 118.94 115.18 2gbs s TRP 13 Ca -0.05 -0.16 0.06 0.00 1.22 0.00 0.00 56.10 57.17 2gbs s TRP 13 Cb 0.01 -0.60 -0.03 0.00 -1.50 0.00 0.00 33.47 31.35 2gbs s TRP 13 CO 0.07 -0.17 0.28 0.45 -4.62 0.00 0.00 176.95 172.96 2gbs s SER 14 N 0.89 5.97 0.09 5.86 0.15 -1.26 -3.83 113.70 121.57 2gbs s SER 14 Ca -0.11 -0.06 -0.17 0.00 0.70 0.00 0.00 55.95 56.31 2gbs s SER 14 Cb -0.14 -1.67 -0.08 0.00 -1.71 0.00 0.00 66.02 62.42 2gbs s SER 14 CO -0.00 -0.04 1.45 -0.25 1.20 0.00 0.00 173.24 175.60 2gbs h TRP 15 N 1.44 0.67 -0.84 3.44 2.91 -1.96 -2.71 115.95 118.91 2gbs h TRP 15 Ca -0.50 -0.17 0.11 0.00 1.13 0.00 0.00 58.89 59.46 2gbs h TRP 15 Cb 1.23 -0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 29.66 2gbs h TRP 15 CO 0.50 0.83 0.54 0.22 -1.03 0.00 0.00 178.44 179.51 2gbs h ASP 16 N 0.32 0.67 0.39 2.65 3.58 -1.99 0.39 116.42 122.42 2gbs h ASP 16 Ca 0.06 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.47 2gbs h ASP 16 Cb 0.66 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.59 2gbs h ASP 16 CO 0.04 0.38 -0.29 -0.61 -2.88 0.00 0.00 179.24 175.88 2gbs h GLN 17 N 0.74 0.00 0.00 0.28 4.15 -1.90 -1.88 115.11 116.50 2gbs h GLN 17 Ca 0.40 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 59.59 2gbs h GLN 17 Cb 0.53 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.19 2gbs h GLN 17 CO -0.16 0.29 -1.12 1.96 -1.93 0.00 0.00 178.83 177.87 2gbs h GLN 18 N 0.00 0.00 -0.84 1.69 1.08 -0.81 -3.24 115.11 112.98 2gbs h GLN 18 Ca -0.00 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 2gbs h GLN 18 Cb 0.56 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.95 2gbs h GLN 18 CO 0.04 0.91 0.46 0.28 -0.95 0.00 0.00 178.83 179.57 2gbs h VAL 19 N 0.00 1.25 0.00 -0.54 2.07 -0.31 0.78 116.25 119.49 2gbs h VAL 19 Ca -0.06 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2gbs h VAL 19 Cb 1.81 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2gbs h VAL 19 CO 0.12 0.27 0.00 0.00 0.02 0.00 0.00 177.57 177.99 2gbs n ALA 20 N -2.41 2.35 -1.02 1.67 0.00 -0.97 -2.36 120.51 117.76 2gbs n ALA 20 Ca 0.09 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.49 2gbs n ALA 20 Cb 0.10 -1.42 0.21 0.00 0.00 0.00 0.00 19.45 18.34 2gbs n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gbs n LYS 21 N -1.21 2.29 0.21 0.00 5.02 0.18 -4.72 118.16 119.92 2gbs n LYS 21 Ca 0.14 -2.74 0.07 0.00 -2.02 0.00 0.00 58.31 53.76 2gbs n LYS 21 Cb 0.18 -1.71 0.58 0.00 -0.02 0.00 0.00 35.03 34.06 2gbs n LYS 21 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2gbs h GLY 22 N 1.10 0.10 -1.82 0.72 0.00 -0.94 0.74 103.07 102.97 2gbs h GLY 22 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2gbs h GLY 22 CO 0.14 0.04 0.00 0.00 0.00 0.00 0.00 176.54 176.71 2gbs n ALA 23 N -2.52 2.45 0.04 3.60 0.00 -1.26 -4.59 120.51 118.22 2gbs n ALA 23 Ca -0.02 -0.83 0.00 0.00 0.00 0.00 0.00 53.44 52.59 2gbs n ALA 23 Cb 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.11 3.00 0.00 0.00 0.00 -0.15 -5.16 120.51 119.31 2gbs n ALA 24 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2gbs n ALA 24 Cb 0.52 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.23 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 2.70 -2.44 3.17 0.00 0.00 0.24 -4.96 105.19 103.89 2gbs n GLY 25 Ca 0.00 -1.71 -0.12 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.44 0.48 -0.39 1.61 2.56 0.44 -4.93 118.70 118.03 2gbs s GLU 26 Ca 0.00 -0.03 -0.26 0.00 0.00 0.00 0.00 54.97 54.68 2gbs s GLU 26 Cb 0.00 0.21 0.02 0.00 2.00 0.00 0.00 34.13 36.36 2gbs s GLU 26 CO 0.00 -0.11 0.92 0.00 -0.56 0.00 0.00 175.26 175.51 2gbs s ALA 27 N -0.77 3.37 -1.13 6.30 0.00 -1.26 -1.08 121.76 127.18 2gbs s ALA 27 Ca -0.09 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.13 2gbs s ALA 27 Cb -0.05 -3.55 0.07 0.00 0.00 0.00 0.00 23.12 19.59 2gbs s ALA 27 CO 0.02 -1.70 1.55 -0.46 0.00 0.00 0.00 175.76 175.17 2gbs s TRP 28 N 3.52 2.70 0.29 0.00 -0.00 -0.66 -4.96 118.94 119.82 2gbs s TRP 28 Ca 0.37 -1.23 0.07 0.00 -0.00 0.00 0.00 56.10 55.32 2gbs s TRP 28 Cb -0.12 -4.69 -0.03 0.00 -0.00 0.00 0.00 33.47 28.63 2gbs s TRP 28 CO 0.20 -1.85 0.24 0.95 -0.00 0.00 0.00 176.95 176.50 2gbs s THR 29 N 4.44 4.03 0.00 5.86 -4.23 -1.26 -4.13 115.64 120.35 2gbs s THR 29 Ca 0.48 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 2gbs s THR 29 Cb 0.01 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2gbs s THR 29 CO -0.02 -0.27 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 2gbs n GLY 30 N -1.27 0.93 3.52 3.99 0.00 -1.26 -5.02 105.19 106.08 2gbs n GLY 30 Ca -0.05 -0.34 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 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 4.07 -2.34 1.61 -7.23 -1.26 -4.78 120.40 108.46 2gbs s VAL 31 Ca 0.00 -0.49 0.22 0.00 -1.81 0.00 0.00 61.98 59.90 2gbs s VAL 31 Cb 0.00 -4.91 0.46 0.00 0.56 0.00 0.00 36.38 32.49 2gbs s VAL 31 CO 0.00 -1.76 1.44 -1.14 -0.31 0.00 0.00 175.10 173.33 2gbs n ARG 32 N 8.43 2.35 -3.41 4.82 0.63 -1.26 -4.77 116.66 123.44 2gbs n ARG 32 Ca 0.16 -2.05 -0.38 0.00 -0.92 0.00 0.00 57.85 54.66 2gbs n ARG 32 Cb 0.49 -1.49 -0.08 0.00 0.45 0.00 0.00 32.46 31.84 2gbs n ARG 32 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2gbs s ASN 33 N -1.40 6.42 0.37 6.15 -0.87 -1.26 -4.97 114.94 119.38 2gbs s ASN 33 Ca 0.38 0.50 0.13 0.00 -1.57 0.00 0.00 52.86 52.30 2gbs s ASN 33 Cb 0.22 -2.22 0.72 0.00 -0.02 0.00 0.00 41.25 39.94 2gbs s ASN 33 CO 0.30 -0.05 1.82 -0.74 -2.57 0.00 0.00 177.10 175.85 2gbs h HIS 34 N 7.31 0.00 -0.67 2.20 2.76 -1.99 -1.93 115.15 122.83 2gbs h HIS 34 Ca -0.37 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 57.73 2gbs h HIS 34 Cb 1.16 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.10 2gbs h HIS 34 CO 0.67 0.38 0.13 0.77 -1.30 0.00 0.00 177.93 178.58 2gbs h SER 35 N 0.00 1.05 -0.22 3.26 0.02 -1.98 0.14 113.55 115.82 2gbs h SER 35 Ca -0.00 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.64 2gbs h SER 35 Cb 0.69 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2gbs h SER 35 CO 0.05 1.03 -0.10 0.00 -1.14 0.00 0.00 176.83 176.67 2gbs h ALA 36 N 1.06 0.30 -0.74 3.77 0.00 -1.75 -2.58 119.26 119.32 2gbs h ALA 36 Ca 0.21 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.90 2gbs h ALA 36 Cb 0.41 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2gbs h ALA 36 CO 0.01 0.13 0.42 -0.22 0.00 0.00 0.00 179.25 179.59 2gbs h LYS 37 N 0.16 0.73 -0.48 0.00 3.64 -1.19 -0.38 116.57 119.05 2gbs h LYS 37 Ca 0.05 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2gbs h LYS 37 Cb 0.58 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.21 2gbs h LYS 37 CO 0.03 0.48 0.29 1.25 -2.27 0.00 0.00 179.45 179.23 2gbs h LEU 38 N 0.75 0.48 -0.84 5.20 5.85 -0.58 -1.58 115.31 124.59 2gbs h LEU 38 Ca 0.34 -0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.97 2gbs h LEU 38 Cb 0.24 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 2gbs h LEU 38 CO -0.20 0.34 -0.42 0.45 -0.34 0.00 0.00 178.44 178.27 2gbs h HIS 39 N 0.59 0.00 -0.30 1.25 3.86 -1.03 -2.90 115.15 116.61 2gbs h HIS 39 Ca 0.19 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.28 2gbs h HIS 39 Cb -0.01 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.45 2gbs h HIS 39 CO -0.06 0.42 -0.31 0.52 0.86 0.00 0.00 177.93 179.37 2gbs h MET 40 N 0.00 0.64 0.00 2.45 2.86 -0.39 -2.40 114.93 118.08 2gbs h MET 40 Ca -0.00 -0.28 -0.02 0.00 -2.06 0.00 0.00 59.70 57.33 2gbs h MET 40 Cb 0.97 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.61 2gbs h MET 40 CO 0.06 0.87 -0.10 0.28 1.06 0.00 0.00 176.91 179.07 2gbs h VAL 41 N 0.54 0.50 -0.01 -2.22 2.07 -1.10 0.05 116.25 116.08 2gbs h VAL 41 Ca 0.06 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2gbs h VAL 41 Cb 0.80 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2gbs h VAL 41 CO 0.07 0.10 -0.15 0.00 0.02 0.00 0.00 177.57 177.61 2gbs n ALA 42 N -2.26 2.86 -2.48 1.67 0.00 -0.94 -4.88 120.51 114.49 2gbs n ALA 42 Ca -0.02 -0.43 -0.39 0.00 0.00 0.00 0.00 53.44 52.60 2gbs n ALA 42 Cb 0.22 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.48 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 -2.28 4.37 0.06 0.00 -1.94 0.00 -4.92 119.30 114.59 2gbs s MET 43 Ca 0.30 0.83 0.01 0.00 -1.71 0.00 0.00 55.69 55.11 2gbs s MET 43 Cb 0.20 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 2gbs s MET 43 CO 0.44 0.33 -0.05 0.50 -0.01 0.00 0.00 175.02 176.23 2gbs s ARG 44 N -0.09 0.64 0.16 2.03 3.52 -1.26 -3.54 118.95 120.41 2gbs s ARG 44 Ca 0.33 -1.12 -0.34 0.00 -0.13 0.00 0.00 55.73 54.48 2gbs s ARG 44 Cb -0.19 -0.02 -0.13 0.00 -1.56 0.00 0.00 34.95 33.05 2gbs s ARG 44 CO 0.19 -0.05 1.61 -2.13 -0.81 0.00 0.00 175.30 174.11 2gbs n ARG 45 N 0.43 2.26 0.00 5.12 0.63 -1.26 -1.28 116.66 122.56 2gbs n ARG 45 Ca -0.16 0.82 0.00 0.00 -0.92 0.00 0.00 57.85 57.59 2gbs n ARG 45 Cb 0.59 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.90 2gbs n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2gbs n GLY 46 N 3.54 2.81 3.77 5.14 0.00 -0.05 -4.71 105.19 115.69 2gbs n GLY 46 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.31 5.76 -0.01 1.61 1.01 -0.41 -4.63 116.67 118.70 2gbs s ASP 47 Ca 0.00 2.27 0.03 0.00 0.71 0.00 0.00 52.55 55.56 2gbs s ASP 47 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 2gbs s ASP 47 CO 0.00 -1.20 -0.09 -0.13 0.21 0.00 0.00 175.17 173.96 2gbs s ARG 48 N -3.11 0.75 0.21 8.23 0.52 -0.46 -0.31 118.95 124.78 2gbs s ARG 48 Ca 0.71 -0.34 0.06 0.00 -0.52 0.00 0.00 55.73 55.64 2gbs s ARG 48 Cb -0.27 -0.72 -0.05 0.00 0.52 0.00 0.00 34.95 34.43 2gbs s ARG 48 CO 0.31 0.20 -0.09 0.00 0.02 0.00 0.00 175.30 175.74 2gbs s ALA 49 N -0.23 1.85 -0.06 2.13 0.00 0.76 -1.19 121.76 125.02 2gbs s ALA 49 Ca 0.03 -1.67 -0.20 0.00 0.00 0.00 0.00 51.96 50.12 2gbs s ALA 49 Cb -0.04 0.13 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 2gbs s ALA 49 CO -0.00 -0.08 0.56 -0.06 0.00 0.00 0.00 175.76 176.18 2gbs s PHE 50 N -3.19 3.59 -0.62 0.00 0.08 0.00 -0.21 117.98 117.63 2gbs s PHE 50 Ca 0.23 1.08 -0.22 0.00 0.12 0.00 0.00 56.93 58.14 2gbs s PHE 50 Cb 0.02 -2.62 0.07 0.00 -0.57 0.00 0.00 43.02 39.93 2gbs s PHE 50 CO 0.06 0.23 0.89 -0.47 -0.10 0.00 0.00 175.22 175.83 2gbs s TYR 51 N 0.33 2.77 -0.26 0.36 6.14 0.69 -1.17 117.35 126.21 2gbs s TYR 51 Ca 0.30 -0.56 -0.09 0.00 0.64 0.00 0.00 57.07 57.37 2gbs s TYR 51 Cb -0.17 -4.17 -0.04 0.00 0.42 0.00 0.00 41.96 38.01 2gbs s TYR 51 CO 0.14 -1.51 0.11 -0.47 0.64 0.00 0.00 175.55 174.46 2gbs s TYR 52 N 3.71 3.14 -0.64 4.97 6.14 -0.29 -1.31 117.35 133.07 2gbs s TYR 52 Ca 0.21 -0.21 -0.25 0.00 0.64 0.00 0.00 57.07 57.46 2gbs s TYR 52 Cb -0.18 -2.28 0.04 0.00 0.42 0.00 0.00 41.96 39.97 2gbs s TYR 52 CO 0.11 -0.26 1.08 -1.01 0.64 0.00 0.00 175.55 176.10 2gbs s HIS 53 N 1.59 2.59 0.70 4.97 3.76 -0.77 -0.61 115.29 127.53 2gbs s HIS 53 Ca 0.06 -0.11 -0.11 0.00 -0.15 0.00 0.00 55.06 54.75 2gbs s HIS 53 Cb -0.15 -4.35 0.01 0.00 1.11 0.00 0.00 32.58 29.20 2gbs s HIS 53 CO 0.06 -1.67 1.08 -1.54 -0.85 0.00 0.00 174.74 171.82 2gbs s SER 54 N 3.34 5.43 0.00 1.40 1.04 -0.69 0.67 113.70 124.88 2gbs s SER 54 Ca 0.31 1.31 0.00 0.00 0.48 0.00 0.00 55.95 58.05 2gbs s SER 54 Cb -0.12 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.84 2gbs s SER 54 CO 0.16 -1.37 0.00 -3.20 0.98 0.00 0.00 173.24 169.81 2gbs n ASN 55 N -3.05 0.00 -4.47 7.02 5.15 -1.26 -4.17 115.26 114.48 2gbs n ASN 55 Ca 0.07 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.61 2gbs n ASN 55 Cb 0.56 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.80 2gbs n ASN 55 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2gbs s GLU 56 N 0.00 3.99 0.00 1.20 2.02 -1.26 -4.31 118.70 120.34 2gbs s GLU 56 Ca 0.00 -2.39 0.00 0.00 0.02 0.00 0.00 54.97 52.60 2gbs s GLU 56 Cb 0.00 -5.06 0.00 0.00 0.10 0.00 0.00 34.13 29.17 2gbs s GLU 56 CO 0.00 -1.79 0.00 0.41 0.02 0.00 0.00 175.26 173.90 2gbs n GLY 57 N 4.44 2.41 3.15 -1.39 0.00 -1.26 -4.64 105.19 107.90 2gbs n GLY 57 Ca 0.35 -0.42 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.87 -3.75 1.61 5.02 0.21 -4.90 118.16 110.48 2gbs n LYS 58 Ca 0.00 0.75 -0.13 0.00 -2.02 0.00 0.00 58.31 56.91 2gbs n LYS 58 Cb 0.00 -5.48 -0.09 0.00 -0.02 0.00 0.00 35.03 29.44 2gbs n LYS 58 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2gbs s GLU 59 N -5.21 0.65 -0.28 1.97 -1.05 -1.22 -1.88 118.70 111.68 2gbs s GLU 59 Ca 0.01 -0.09 -0.26 0.00 -0.15 0.00 0.00 54.97 54.48 2gbs s GLU 59 Cb -0.00 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 2gbs s GLU 59 CO 0.65 -0.17 0.90 0.42 0.95 0.00 0.00 175.26 178.01 2gbs s ILE 60 N -1.13 4.73 -0.11 1.83 1.01 0.84 -1.84 121.20 126.54 2gbs s ILE 60 Ca -0.12 1.57 0.17 0.00 0.00 0.00 0.00 60.65 62.27 2gbs s ILE 60 Cb -0.05 -4.22 -0.25 0.00 0.01 0.00 0.00 42.46 37.95 2gbs s ILE 60 CO 0.04 -0.23 0.22 1.33 0.00 0.00 0.00 174.94 176.30 2gbs n VAL 61 N 5.48 0.66 -3.82 2.92 0.24 -0.43 -0.81 118.33 122.56 2gbs n VAL 61 Ca 0.07 -0.60 -0.08 0.00 -2.04 0.00 0.00 64.34 61.70 2gbs n VAL 61 Cb 0.47 -0.26 0.03 0.00 -1.47 0.00 0.00 33.84 32.61 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 -4.70 0.36 -0.15 7.63 0.00 -1.24 -1.20 107.32 108.03 2gbs s GLY 62 Ca -0.08 -0.71 -0.03 0.00 0.00 0.00 0.00 44.72 43.91 2gbs s GLY 62 CO 0.74 0.21 -0.06 -0.42 0.00 0.00 0.00 173.10 173.57 2gbs s ILE 63 N -2.17 3.65 0.17 0.90 1.01 0.93 -0.22 121.20 125.47 2gbs s ILE 63 Ca 0.17 -0.45 0.06 0.00 0.00 0.00 0.00 60.65 60.44 2gbs s ILE 63 Cb -0.05 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2gbs s ILE 63 CO 0.11 0.51 0.06 0.00 0.00 0.00 0.00 174.94 175.61 2gbs s ALA 64 N 0.31 3.36 0.02 9.38 0.00 0.71 -1.16 121.76 134.38 2gbs s ALA 64 Ca -0.06 -1.31 0.06 0.00 0.00 0.00 0.00 51.96 50.66 2gbs s ALA 64 Cb -0.15 -1.15 -0.02 0.00 0.00 0.00 0.00 23.12 21.81 2gbs s ALA 64 CO 0.04 0.49 -0.19 -2.00 0.00 0.00 0.00 175.76 174.09 2gbs s GLU 65 N -3.03 1.35 -0.30 0.00 2.12 0.30 -0.17 118.70 118.96 2gbs s GLU 65 Ca 0.29 -0.81 -0.26 0.00 0.36 0.00 0.00 54.97 54.56 2gbs s GLU 65 Cb -0.10 -1.39 0.01 0.00 0.26 0.00 0.00 34.13 32.92 2gbs s GLU 65 CO 0.21 0.36 0.91 0.42 -0.54 0.00 0.00 175.26 176.61 2gbs s ILE 66 N -0.67 4.69 -0.29 -3.70 -1.09 0.58 -1.46 121.20 119.26 2gbs s ILE 66 Ca 0.06 1.46 0.09 0.00 -2.23 0.00 0.00 60.65 60.03 2gbs s ILE 66 Cb -0.08 -4.25 0.51 0.00 -1.58 0.00 0.00 42.46 37.06 2gbs s ILE 66 CO 0.01 -0.31 1.46 2.30 -1.23 0.00 0.00 174.94 177.17 2gbs n ILE 67 N 5.61 2.56 -3.47 2.92 -5.35 0.15 -0.87 119.36 120.90 2gbs n ILE 67 Ca 0.07 -2.78 0.01 0.00 -0.27 0.00 0.00 62.75 59.77 2gbs n ILE 67 Cb 0.48 -0.32 -0.05 0.00 -1.74 0.00 0.00 39.64 38.01 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 -3.26 0.29 0.52 6.28 6.06 -1.25 -4.84 118.95 122.75 2gbs s ARG 68 Ca 0.45 0.64 -0.20 0.00 -2.50 0.00 0.00 55.73 54.12 2gbs s ARG 68 Cb 0.41 0.29 -0.07 0.00 0.06 0.00 0.00 34.95 35.64 2gbs s ARG 68 CO -0.01 -0.08 1.10 -1.21 -2.50 0.00 0.00 175.30 172.60 2gbs s GLU 69 N 2.03 3.50 -0.19 5.12 2.02 -1.26 -4.07 118.70 125.85 2gbs s GLU 69 Ca -0.05 1.53 -0.38 0.00 0.02 0.00 0.00 54.97 56.09 2gbs s GLU 69 Cb -0.05 -2.04 -0.15 0.00 0.10 0.00 0.00 34.13 32.00 2gbs s GLU 69 CO -0.16 -0.71 1.73 0.00 0.02 0.00 0.00 175.26 176.14 2gbs n ALA 70 N -1.19 0.01 -2.45 5.21 0.00 -1.23 -4.89 120.51 115.97 2gbs n ALA 70 Ca 0.11 0.38 -0.19 0.00 0.00 0.00 0.00 53.44 53.73 2gbs n ALA 70 Cb 0.51 -2.27 -0.11 0.00 0.00 0.00 0.00 19.45 17.58 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 3.28 1.58 0.13 0.00 1.13 -0.94 -4.93 117.35 117.60 2gbs s TYR 71 Ca 0.95 -0.53 -0.33 0.00 -1.41 0.00 0.00 57.07 55.75 2gbs s TYR 71 Cb -0.97 -0.80 -0.12 0.00 -1.10 0.00 0.00 41.96 38.97 2gbs s TYR 71 CO 0.60 0.23 1.72 -2.30 -2.51 0.00 0.00 175.55 173.29 2gbs n PRO 72 N 0.32 2.47 -1.69 -3.49 -0.02 -1.26 0.17 135.00 131.50 2gbs n PRO 72 Ca -0.14 0.89 -0.44 0.00 -2.02 0.00 0.00 63.50 61.80 2gbs n PRO 72 Cb 0.57 -2.72 -0.04 0.00 -0.02 0.00 0.00 33.50 31.29 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 4.51 3.50 -0.09 2.55 -0.08 0.12 -4.70 116.55 122.35 2gbs n ASP 73 Ca 0.18 1.07 0.26 0.00 -1.51 0.00 0.00 54.79 54.79 2gbs n ASP 73 Cb 0.32 -1.49 0.72 0.00 2.34 0.00 0.00 41.12 43.01 2gbs n ASP 73 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2gbs h PRO 74 N 6.32 0.00 0.00 -0.67 0.11 -1.90 -0.15 132.00 135.70 2gbs h PRO 74 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2gbs h PRO 74 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2gbs h PRO 74 CO 0.92 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.71 2gbs h THR 75 N 0.00 0.00 -3.52 -1.15 1.03 -1.96 -3.43 112.91 103.88 2gbs h THR 75 Ca 0.35 -0.64 -0.64 0.00 -0.01 0.00 0.00 66.41 65.47 2gbs h THR 75 Cb 1.55 1.60 -0.21 0.00 -1.07 0.00 0.00 68.15 70.02 2gbs h THR 75 CO -0.00 0.00 -0.62 -0.62 -0.01 0.00 0.00 175.52 174.27 2gbs s ASP 76 N -5.41 5.19 0.00 0.00 2.15 -0.07 -4.95 116.67 113.58 2gbs s ASP 76 Ca 0.06 -0.13 0.25 0.00 0.43 0.00 0.00 52.55 53.15 2gbs s ASP 76 Cb 0.08 -1.91 0.46 0.00 -0.30 0.00 0.00 42.92 41.26 2gbs s ASP 76 CO 0.58 0.04 1.38 0.00 -0.17 0.00 0.00 175.17 177.00 2gbs n ALA 77 N 4.41 3.57 0.08 3.66 0.00 -1.26 -4.19 120.51 126.78 2gbs n ALA 77 Ca -0.16 -0.41 -0.22 0.00 0.00 0.00 0.00 53.44 52.65 2gbs n ALA 77 Cb 0.52 -1.07 -0.15 0.00 0.00 0.00 0.00 19.45 18.75 2gbs n ALA 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gbs h SER 78 N 0.42 0.58 0.00 0.00 0.87 -1.94 -3.48 113.55 110.00 2gbs h SER 78 Ca 0.00 -0.94 0.00 0.00 -1.23 0.00 0.00 61.79 59.62 2gbs h SER 78 Cb 0.51 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 2gbs h SER 78 CO 0.00 1.52 0.00 0.61 -0.53 0.00 0.00 176.83 178.43 2gbs n GLY 79 N 1.70 1.73 0.19 5.77 0.00 -1.26 -5.02 105.19 108.30 2gbs n GLY 79 Ca -0.16 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2gbs n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gbs n LYS 80 N -1.05 0.55 -2.38 1.61 5.02 -1.26 -4.95 118.16 115.70 2gbs n LYS 80 Ca 0.00 0.22 -0.39 0.00 -2.02 0.00 0.00 58.31 56.12 2gbs n LYS 80 Cb 0.00 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 2gbs n LYS 80 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2gbs s PHE 81 N -2.47 3.30 0.27 2.13 0.08 -1.26 -4.94 117.98 115.08 2gbs s PHE 81 Ca -0.35 1.61 0.06 0.00 0.12 0.00 0.00 56.93 58.37 2gbs s PHE 81 Cb 0.13 -3.35 -0.06 0.00 -0.57 0.00 0.00 43.02 39.17 2gbs s PHE 81 CO 0.47 -0.98 -0.06 0.14 -0.10 0.00 0.00 175.22 174.69 2gbs s VAL 82 N -1.31 1.58 0.02 -0.44 -7.23 -1.26 0.15 120.40 111.90 2gbs s VAL 82 Ca 0.51 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 58.49 2gbs s VAL 82 Cb -0.31 -2.39 -0.00 0.00 0.56 0.00 0.00 36.38 34.23 2gbs s VAL 82 CO 0.40 -0.33 0.13 0.00 -0.31 0.00 0.00 175.10 174.98 2gbs s VAL 84 N -1.86 0.69 -0.33 0.00 -7.23 -1.26 -2.22 120.40 108.19 2gbs s VAL 84 Ca -0.11 -1.04 -0.20 0.00 -1.81 0.00 0.00 61.98 58.82 2gbs s VAL 84 Cb -0.05 -0.71 -0.00 0.00 0.56 0.00 0.00 36.38 36.18 2gbs s VAL 84 CO -0.01 -0.27 0.64 -1.81 -0.31 0.00 0.00 175.10 173.34 2gbs s ASP 85 N -1.43 6.47 -0.06 4.85 1.11 -1.26 -1.66 116.67 124.69 2gbs s ASP 85 Ca -0.06 0.30 -0.01 0.00 0.18 0.00 0.00 52.55 52.95 2gbs s ASP 85 Cb -0.09 -2.33 -0.03 0.00 1.07 0.00 0.00 42.92 41.53 2gbs s ASP 85 CO 0.01 -0.54 0.02 0.27 1.18 0.00 0.00 175.17 176.11 2gbs s ILE 86 N 2.68 4.44 0.07 0.77 -4.36 -0.24 -0.67 121.20 123.88 2gbs s ILE 86 Ca 0.25 -0.29 0.04 0.00 -0.26 0.00 0.00 60.65 60.39 2gbs s ILE 86 Cb -0.15 -2.91 -0.03 0.00 1.25 0.00 0.00 42.46 40.62 2gbs s ILE 86 CO 0.13 0.54 -0.10 -1.59 0.24 0.00 0.00 174.94 174.15 2gbs s LYS 87 N -1.12 0.72 0.34 0.37 -2.85 -0.53 -0.42 119.74 116.25 2gbs s LYS 87 Ca 0.16 -0.95 -0.28 0.00 -1.00 0.00 0.00 55.97 53.90 2gbs s LYS 87 Cb -0.11 -0.53 -0.10 0.00 -2.06 0.00 0.00 37.83 35.03 2gbs s LYS 87 CO 0.05 0.10 1.30 0.00 0.10 0.00 0.00 175.35 176.90 2gbs s ALA 88 N -1.70 3.46 0.13 0.59 0.00 -1.25 -0.54 121.76 122.45 2gbs s ALA 88 Ca -0.03 1.25 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2gbs s ALA 88 Cb -0.08 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.57 2gbs s ALA 88 CO 0.01 -0.66 0.00 -3.47 0.00 0.00 0.00 175.76 171.64 2gbs n ASP 89 N 0.71 0.58 -3.67 0.00 2.03 -0.31 -4.63 116.55 111.26 2gbs n ASP 89 Ca 0.00 0.20 -0.14 0.00 0.52 0.00 0.00 54.79 55.38 2gbs n ASP 89 Cb 0.42 -0.08 -0.13 0.00 -0.72 0.00 0.00 41.12 40.60 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 -1.80 0.14 0.62 -0.67 2.20 -1.09 -5.01 119.74 114.13 2gbs s LYS 90 Ca 0.00 0.73 -0.11 0.00 -0.36 0.00 0.00 55.97 56.23 2gbs s LYS 90 Cb 0.00 -0.06 -0.03 0.00 -1.51 0.00 0.00 37.83 36.23 2gbs s LYS 90 CO 0.00 -0.28 1.03 -2.14 -0.36 0.00 0.00 175.35 173.59 2gbs s PRO 91 N 2.37 3.49 0.30 4.03 0.02 -1.26 -0.05 135.00 143.90 2gbs s PRO 91 Ca 0.01 0.68 -0.05 0.00 0.02 0.00 0.00 61.00 61.66 2gbs s PRO 91 Cb -0.12 -2.09 -0.05 0.00 0.02 0.00 0.00 34.50 32.26 2gbs s PRO 91 CO -0.08 -0.61 0.56 -0.51 -0.33 0.00 0.00 177.00 176.02 2gbs s LEU 92 N -5.18 4.05 0.21 -5.54 1.43 -0.34 -4.83 118.68 108.48 2gbs s LEU 92 Ca 0.55 0.72 0.23 0.00 -1.03 0.00 0.00 54.13 54.59 2gbs s LEU 92 Cb -0.11 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.68 2gbs s LEU 92 CO 0.53 -0.21 1.16 0.11 0.23 0.00 0.00 176.35 178.18 2gbs h LYS 93 N 1.62 0.00 -3.26 1.70 6.56 -1.70 -3.42 116.57 118.06 2gbs h LYS 93 Ca -0.48 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 58.59 2gbs h LYS 93 Cb 1.19 0.00 -0.40 0.00 -0.57 0.00 0.00 32.23 32.45 2gbs h LYS 93 CO 0.66 0.00 -0.76 0.99 -2.06 0.00 0.00 179.45 178.27 2gbs s THR 94 N -3.30 0.34 -0.13 -0.16 2.01 -0.05 -4.93 115.64 109.42 2gbs s THR 94 Ca 0.02 -0.72 -0.35 0.00 0.31 0.00 0.00 61.69 60.94 2gbs s THR 94 Cb 0.10 -1.07 -0.12 0.00 0.01 0.00 0.00 72.50 71.41 2gbs s THR 94 CO 0.76 -0.46 1.85 -2.65 -0.69 0.00 0.00 174.62 173.44 2gbs n PRO 95 N 5.10 1.98 -2.60 4.92 -0.02 -1.26 -4.49 135.00 138.63 2gbs n PRO 95 Ca -0.06 0.73 -0.41 0.00 -2.02 0.00 0.00 63.50 61.73 2gbs n PRO 95 Cb 0.45 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 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 3.96 3.91 0.64 -1.45 1.01 0.01 -4.71 120.40 123.77 2gbs s VAL 96 Ca 0.94 -0.24 -0.14 0.00 0.00 0.00 0.00 61.98 62.54 2gbs s VAL 96 Cb -0.77 -4.94 -0.01 0.00 0.00 0.00 0.00 36.38 30.66 2gbs s VAL 96 CO 0.54 -1.83 1.08 -0.89 0.00 0.00 0.00 175.10 174.00 2gbs s THR 97 N 5.10 3.63 0.35 3.92 2.01 -1.26 -0.11 115.64 129.28 2gbs s THR 97 Ca 0.38 0.71 0.07 0.00 0.31 0.00 0.00 61.69 63.17 2gbs s THR 97 Cb -0.05 -3.26 0.31 0.00 0.01 0.00 0.00 72.50 69.50 2gbs s THR 97 CO 0.03 -0.51 1.89 0.25 -0.69 0.00 0.00 174.62 175.59 2gbs h LEU 98 N 0.04 0.69 -1.47 4.42 5.85 -1.72 0.75 115.31 123.88 2gbs h LEU 98 Ca -0.46 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.27 2gbs h LEU 98 Cb 1.23 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2gbs h LEU 98 CO 0.56 0.38 0.10 0.00 -0.34 0.00 0.00 178.44 179.14 2gbs h ALA 99 N 1.59 1.58 -0.02 1.25 0.00 -1.92 -1.91 119.26 119.84 2gbs h ALA 99 Ca 0.42 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 2gbs h ALA 99 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2gbs h ALA 99 CO -0.18 0.32 -0.67 0.00 0.00 0.00 0.00 179.25 178.72 2gbs h ALA 100 N 1.66 0.85 -0.38 0.00 0.00 -1.23 -2.80 119.26 117.36 2gbs h ALA 100 Ca 0.11 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.35 2gbs h ALA 100 Cb 0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2gbs h ALA 100 CO -0.01 0.81 -0.05 0.28 0.00 0.00 0.00 179.25 180.29 2gbs h VAL 101 N 0.06 1.23 0.00 0.00 2.07 -0.62 -1.74 116.25 117.25 2gbs h VAL 101 Ca -0.01 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.55 2gbs h VAL 101 Cb 1.19 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2gbs h VAL 101 CO 0.09 0.33 0.00 0.29 0.02 0.00 0.00 177.57 178.30 2gbs n LYS 102 N -4.22 0.29 0.11 1.57 5.02 -0.93 -3.10 118.16 116.90 2gbs n LYS 102 Ca 0.02 0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.40 2gbs n LYS 102 Cb 0.30 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.80 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 3.03 0.64 -3.70 7.82 0.00 -1.20 -3.42 119.26 122.43 2gbs h ALA 103 Ca 0.00 -0.57 -0.65 0.00 0.00 0.00 0.00 54.91 53.69 2gbs h ALA 103 Cb 0.22 -0.03 -0.37 0.00 0.00 0.00 0.00 17.79 17.61 2gbs h ALA 103 CO 0.00 0.74 -0.80 -2.00 0.00 0.00 0.00 179.25 177.18 2gbs s GLU 104 N -2.93 2.19 0.61 0.00 2.56 -1.18 -5.00 118.70 114.96 2gbs s GLU 104 Ca 0.03 -1.18 0.32 0.00 0.00 0.00 0.00 54.97 54.14 2gbs s GLU 104 Cb 0.08 -2.75 1.83 0.00 2.00 0.00 0.00 34.13 35.28 2gbs s GLU 104 CO 0.76 -0.52 2.15 -1.00 -0.56 0.00 0.00 175.26 176.09 2gbs h PRO 105 N 7.84 0.00 0.00 4.30 0.13 -1.83 -0.86 132.00 141.59 2gbs h PRO 105 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2gbs h PRO 105 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2gbs h PRO 105 CO 0.47 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.78 2gbs n ARG 106 N -3.56 0.13 -0.07 0.86 1.74 -1.26 -1.55 116.66 112.97 2gbs n ARG 106 Ca -0.00 0.14 0.03 0.00 -0.77 0.00 0.00 57.85 57.25 2gbs n ARG 106 Cb 0.25 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.26 2gbs n ARG 106 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2gbs n LEU 107 N -1.40 2.19 -0.14 0.55 4.77 -0.33 -4.58 117.00 118.06 2gbs n LEU 107 Ca 0.07 -1.68 0.11 0.00 -0.03 0.00 0.00 56.01 54.47 2gbs n LEU 107 Cb 0.19 -0.09 0.56 0.00 -2.33 0.00 0.00 43.42 41.76 2gbs n LEU 107 CO 0.16 0.53 0.87 0.00 -1.33 0.00 0.00 177.39 177.62 2gbs n ALA 108 N 0.15 2.60 -0.17 -1.18 0.00 -0.59 -2.68 120.51 118.64 2gbs n ALA 108 Ca 0.05 -0.23 0.07 0.00 0.00 0.00 0.00 53.44 53.33 2gbs n ALA 108 Cb 0.28 -1.28 0.17 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.54 3.05 -4.80 0.00 -0.08 -1.26 -4.73 116.55 108.19 2gbs n ASP 109 Ca 0.16 -1.97 -0.33 0.00 -1.51 0.00 0.00 54.79 51.13 2gbs n ASP 109 Cb 0.14 -0.26 0.01 0.00 2.34 0.00 0.00 41.12 43.34 2gbs n ASP 109 CO 0.00 0.00 0.00 -0.32 0.12 0.00 0.00 177.20 177.00 2gbs s MET 110 N -1.01 3.34 0.56 -0.67 1.75 -1.09 -4.89 119.30 117.30 2gbs s MET 110 Ca 0.27 1.27 0.24 0.00 -1.25 0.00 0.00 55.69 56.22 2gbs s MET 110 Cb 0.14 -2.03 1.57 0.00 2.84 0.00 0.00 34.83 37.35 2gbs s MET 110 CO 0.19 -0.80 2.18 0.00 -0.65 0.00 0.00 175.02 175.94 2gbs h ALA 111 N 0.61 1.80 -0.56 4.11 0.00 -1.92 -0.84 119.26 122.48 2gbs h ALA 111 Ca -0.47 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2gbs h ALA 111 Cb 1.22 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 2gbs h ALA 111 CO 0.57 -0.09 0.06 1.25 0.00 0.00 0.00 179.25 181.05 2gbs h LEU 112 N 0.00 0.86 0.06 0.00 5.85 -1.92 0.34 115.31 120.50 2gbs h LEU 112 Ca 0.03 -0.20 -0.26 0.00 0.84 0.00 0.00 57.88 58.30 2gbs h LEU 112 Cb 0.14 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.94 2gbs h LEU 112 CO -0.00 0.89 -1.16 -0.03 -0.34 0.00 0.00 178.44 177.80 2gbs h MET 113 N 0.85 0.23 0.00 1.25 4.05 -1.49 -3.30 114.93 116.52 2gbs h MET 113 Ca 0.17 -0.38 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 2gbs h MET 113 Cb 0.41 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.35 2gbs h MET 113 CO 0.01 1.16 -0.04 0.87 0.23 0.00 0.00 176.91 179.14 2gbs h LYS 114 N 0.08 0.00 -3.59 0.39 1.57 -1.24 -3.43 116.57 110.35 2gbs h LYS 114 Ca -0.11 0.00 -0.75 0.00 -1.87 0.00 0.00 60.65 57.92 2gbs h LYS 114 Cb 1.88 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 33.89 2gbs h LYS 114 CO 0.19 0.00 0.04 0.71 -0.57 0.00 0.00 179.45 179.82 2gbs s TYR 115 N -1.26 3.84 -0.78 -1.35 2.02 0.12 -4.84 117.35 115.09 2gbs s TYR 115 Ca -0.01 -2.56 0.23 0.00 -0.37 0.00 0.00 57.07 54.35 2gbs s TYR 115 Cb 0.00 -3.56 0.90 0.00 -0.40 0.00 0.00 41.96 38.90 2gbs s TYR 115 CO 0.02 -0.89 1.70 0.43 -1.57 0.00 0.00 175.55 175.24 2gbs n SER 116 N 3.16 0.38 0.16 2.29 7.64 -1.24 -2.58 113.62 123.43 2gbs n SER 116 Ca 0.17 0.57 0.06 0.00 1.01 0.00 0.00 58.87 60.68 2gbs n SER 116 Cb 0.41 -0.66 0.06 0.00 -1.01 0.00 0.00 64.21 63.01 2gbs n SER 116 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2gbs h ARG 117 N 0.00 0.00 -6.27 1.43 2.43 -1.90 -3.44 114.38 106.62 2gbs h ARG 117 Ca 0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 2gbs h ARG 117 Cb 0.44 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 2gbs h ARG 117 CO 0.00 0.28 1.08 -1.17 -1.51 0.00 0.00 179.97 178.66 2gbs s LEU 118 N -6.26 3.97 0.04 3.80 2.96 -1.06 -4.90 118.68 117.24 2gbs s LEU 118 Ca 0.04 1.66 -0.18 0.00 -0.22 0.00 0.00 54.13 55.42 2gbs s LEU 118 Cb 0.07 -3.53 -0.17 0.00 0.50 0.00 0.00 46.19 43.05 2gbs s LEU 118 CO 0.73 -1.15 1.24 0.28 -1.32 0.00 0.00 176.35 176.13 2gbs h SER 119 N 10.18 0.56 -3.42 3.68 0.02 -1.89 -3.40 113.55 119.28 2gbs h SER 119 Ca -0.33 -0.62 -0.71 0.00 -0.84 0.00 0.00 61.79 59.29 2gbs h SER 119 Cb 1.15 -0.16 -0.30 0.00 0.14 0.00 0.00 62.40 63.22 2gbs h SER 119 CO 1.00 1.08 -0.47 -0.69 -1.14 0.00 0.00 176.83 176.61 2gbs s VAL 120 N -3.77 4.02 0.00 2.27 1.01 -1.26 -2.90 120.40 119.78 2gbs s VAL 120 Ca -0.13 -1.62 -0.01 0.00 0.00 0.00 0.00 61.98 60.22 2gbs s VAL 120 Cb 0.05 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2gbs s VAL 120 CO 0.81 -0.60 0.11 -1.10 0.00 0.00 0.00 175.10 174.32 2gbs s GLN 121 N 1.35 3.16 0.05 2.72 -0.21 -0.58 -4.84 119.66 121.32 2gbs s GLN 121 Ca 0.04 -0.46 -0.25 0.00 0.02 0.00 0.00 55.36 54.72 2gbs s GLN 121 Cb -0.24 -2.92 -0.06 0.00 1.00 0.00 0.00 33.01 30.80 2gbs s GLN 121 CO 0.00 0.65 0.75 -1.25 -2.12 0.00 0.00 175.29 173.32 2gbs s PRO 122 N -1.86 4.49 -0.09 2.91 0.04 -1.26 -0.75 135.00 138.48 2gbs s PRO 122 Ca 0.25 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.37 2gbs s PRO 122 Cb -0.12 -3.35 0.01 0.00 0.04 0.00 0.00 34.50 31.07 2gbs s PRO 122 CO 0.16 0.32 -0.19 0.08 0.04 0.00 0.00 177.00 177.41 2gbs s VAL 123 N -0.18 1.70 0.65 -0.36 1.01 0.73 -4.66 120.40 119.30 2gbs s VAL 123 Ca 0.38 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 2gbs s VAL 123 Cb -0.21 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.70 2gbs s VAL 123 CO 0.23 0.48 1.00 0.42 0.00 0.00 0.00 175.10 177.23 2gbs s THR 124 N 0.50 3.44 0.38 3.92 -4.23 -1.26 -3.57 115.64 114.81 2gbs s THR 124 Ca -0.17 0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.60 2gbs s THR 124 Cb -0.17 -3.42 0.30 0.00 1.34 0.00 0.00 72.50 70.55 2gbs s THR 124 CO 0.06 -0.48 1.97 0.00 -0.54 0.00 0.00 174.62 175.63 2gbs h ALA 125 N -0.43 1.77 0.09 3.99 0.00 -1.98 0.16 119.26 122.86 2gbs h ALA 125 Ca -0.45 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2gbs h ALA 125 Cb 1.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2gbs h ALA 125 CO 0.62 0.12 -0.04 0.93 0.00 0.00 0.00 179.25 180.87 2gbs h GLU 126 N 0.66 -0.12 -0.15 0.00 4.39 -1.99 -0.81 114.58 116.56 2gbs h GLU 126 Ca 0.29 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 60.00 2gbs h GLU 126 Cb 0.30 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2gbs h GLU 126 CO -0.09 0.16 0.09 0.93 -1.16 0.00 0.00 179.01 178.93 2gbs h GLU 127 N -0.40 0.21 0.15 2.33 5.08 -1.83 -1.88 114.58 118.23 2gbs h GLU 127 Ca -0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2gbs h GLU 127 Cb 0.34 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2gbs h GLU 127 CO 0.02 0.21 -0.43 2.35 -1.00 0.00 0.00 179.01 180.16 2gbs h TRP 128 N 0.15 -1.22 -0.70 4.33 2.91 -0.66 -0.32 115.95 120.45 2gbs h TRP 128 Ca 0.05 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.09 2gbs h TRP 128 Cb 0.06 0.52 -0.03 0.00 -0.51 0.00 0.00 29.16 29.19 2gbs h TRP 128 CO -0.04 -0.53 0.38 0.87 -1.03 0.00 0.00 178.44 178.08 2gbs h LYS 129 N -0.68 0.97 -0.46 2.65 1.57 -1.13 -1.30 116.57 118.19 2gbs h LYS 129 Ca 0.01 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 2gbs h LYS 129 Cb 0.70 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2gbs h LYS 129 CO -0.23 0.73 -0.02 1.25 -0.57 0.00 0.00 179.45 180.60 2gbs h LEU 130 N 0.96 0.82 -0.42 2.94 5.85 -1.07 -0.06 115.31 124.33 2gbs h LEU 130 Ca 0.24 -0.32 -0.09 0.00 0.84 0.00 0.00 57.88 58.55 2gbs h LEU 130 Cb 0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2gbs h LEU 130 CO -0.04 0.95 -0.09 0.58 -0.34 0.00 0.00 178.44 179.49 2gbs h VAL 131 N 0.68 1.27 0.02 1.05 2.07 -0.87 0.13 116.25 120.61 2gbs h VAL 131 Ca 0.13 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.47 2gbs h VAL 131 Cb 0.54 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 2gbs h VAL 131 CO 0.03 0.40 -0.05 0.00 0.02 0.00 0.00 177.57 177.97 2gbs h LYS 133 N -0.10 0.00 0.00 0.00 3.64 -0.89 -0.96 116.57 118.25 2gbs h LYS 133 Ca 0.02 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.30 2gbs h LYS 133 Cb 0.12 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2gbs h LYS 133 CO -0.04 0.14 -0.46 1.98 -2.27 0.00 0.00 179.45 178.80 2gbs h MET 134 N 0.00 0.00 -1.00 1.90 4.05 -0.02 -3.21 114.93 116.65 2gbs h MET 134 Ca -0.00 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.16 2gbs h MET 134 Cb 0.26 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 30.91 2gbs h MET 134 CO 0.02 0.46 0.33 0.41 0.23 0.00 0.00 176.91 178.36 2gbs n GLY 135 N 0.62 3.25 2.67 1.39 0.00 0.08 -4.83 105.19 108.37 2gbs n GLY 135 Ca 0.00 -0.55 -0.15 0.00 0.00 0.00 0.00 46.02 45.33 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 -0.32 -0.05 0.43 -0.02 0.00 -1.21 -0.87 105.19 103.14 2gbs n GLY 136 Ca 0.30 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.23 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 -2.96 1.81 -0.01 0.99 7.94 -1.09 -4.48 117.00 119.20 2gbs n LEU 137 Ca -0.04 -0.92 -0.17 0.00 -1.11 0.00 0.00 56.01 53.78 2gbs n LEU 137 Cb 0.56 0.00 -0.12 0.00 0.53 0.00 0.00 43.42 44.39 2gbs n LEU 137 CO 0.35 0.34 0.28 0.25 -1.11 0.00 0.00 177.39 177.50 2gbs h LEU 138 N 2.09 0.31 0.00 -1.96 5.85 -1.78 -3.39 115.31 116.43 2gbs h LEU 138 Ca 0.00 -0.85 0.00 0.00 0.84 0.00 0.00 57.88 57.87 2gbs h LEU 138 Cb 0.49 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2gbs h LEU 138 CO 0.00 1.12 0.00 1.21 -0.34 0.00 0.00 178.44 180.43 2gbs n GLU 139 N -4.37 0.00 0.00 1.25 2.13 -1.26 -4.82 120.64 113.56 2gbs n GLU 139 Ca -0.11 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.19 2gbs n GLU 139 Cb 0.61 -1.21 0.00 0.00 0.27 0.00 0.00 31.44 31.11 2gbs n GLU 139 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2gbs n HIS 140 N -1.95 0.00 0.23 4.31 -0.00 -1.26 -4.50 115.22 112.05 2gbs n HIS 140 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.82 2gbs n HIS 140 Cb 0.00 0.00 0.53 0.00 -0.00 0.00 0.00 29.99 30.52 2gbs n HIS 140 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2gbs h HIS 141 N 0.00 0.00 -0.46 1.57 3.86 -1.95 -3.46 115.15 114.72 2gbs h HIS 141 Ca 0.00 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.57 2gbs h HIS 141 Cb 0.00 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.37 2gbs h HIS 141 CO 0.00 0.21 -0.44 -1.58 0.86 0.00 0.00 177.93 176.98 2gbs s HIS 142 N -3.81 1.80 0.00 2.45 5.04 -1.26 -5.15 115.29 114.36 2gbs s HIS 142 Ca -0.01 -0.91 0.00 0.00 -1.54 0.00 0.00 55.06 52.61 2gbs s HIS 142 Cb 0.11 -1.73 0.00 0.00 0.04 0.00 0.00 32.58 31.01 2gbs s HIS 142 CO 0.62 -0.02 0.00 -2.39 -2.34 0.00 0.00 174.74 170.62 2gbs n HIS 143 N -1.44 -0.14 -2.16 3.88 1.44 -1.26 -5.09 115.22 110.45 2gbs n HIS 143 Ca -0.13 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.16 2gbs n HIS 143 Cb 0.66 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.74 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 -2.99 2.39 0.00 -1.40 3.76 -1.26 -5.18 115.29 110.60 2gbs s HIS 144 Ca 0.00 0.54 0.00 0.00 -0.15 0.00 0.00 55.06 55.45 2gbs s HIS 144 Cb 0.00 -3.76 0.00 0.00 1.11 0.00 0.00 32.58 29.93 2gbs s HIS 144 CO 0.00 -3.00 0.00 1.58 -0.85 0.00 0.00 174.74 172.47