#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 3.62 0.00 2.33 0.00 -1.26 -4.95 121.76 121.50 2gbs s ALA 2 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 51.96 51.95 2gbs s ALA 2 Cb 0.00 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 2gbs s ALA 2 CO 0.00 0.44 -0.23 0.71 0.00 0.00 0.00 175.76 176.68 2gbs s TYR 3 N -1.21 2.03 0.32 0.00 2.02 -1.24 -1.36 117.35 117.89 2gbs s TYR 3 Ca 0.30 -0.38 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 2gbs s TYR 3 Cb -0.17 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 40.07 2gbs s TYR 3 CO 0.18 0.01 0.20 -1.58 -1.57 0.00 0.00 175.55 172.78 2gbs s TRP 4 N -0.61 1.63 -0.07 2.71 0.52 0.38 -0.49 118.94 123.01 2gbs s TRP 4 Ca 0.09 -1.49 -0.01 0.00 0.02 0.00 0.00 56.10 54.71 2gbs s TRP 4 Cb -0.09 -0.80 0.03 0.00 -1.15 0.00 0.00 33.47 31.46 2gbs s TRP 4 CO -0.00 -0.66 -0.00 -1.17 0.02 0.00 0.00 176.95 175.14 2gbs s LEU 5 N -3.38 0.62 0.17 2.99 0.20 0.91 -0.55 118.68 119.64 2gbs s LEU 5 Ca 0.37 -0.10 0.09 0.00 0.69 0.00 0.00 54.13 55.18 2gbs s LEU 5 Cb 0.04 -0.46 -0.04 0.00 -0.43 0.00 0.00 46.19 45.29 2gbs s LEU 5 CO 0.21 -0.19 -0.13 0.68 -0.29 0.00 0.00 176.35 176.63 2gbs s VAL 6 N 1.95 3.02 0.08 1.68 -7.23 -0.79 -0.54 120.40 118.58 2gbs s VAL 6 Ca 0.05 -1.67 -0.11 0.00 -1.81 0.00 0.00 61.98 58.45 2gbs s VAL 6 Cb -0.12 -2.47 -0.06 0.00 0.56 0.00 0.00 36.38 34.29 2gbs s VAL 6 CO -0.05 -0.06 0.41 -0.54 -0.31 0.00 0.00 175.10 174.54 2gbs s LYS 7 N -2.66 3.79 -0.37 4.82 1.02 -1.14 -2.42 119.74 122.78 2gbs s LYS 7 Ca 0.23 0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.45 2gbs s LYS 7 Cb -0.09 -3.01 0.15 0.00 -0.52 0.00 0.00 37.83 34.36 2gbs s LYS 7 CO 0.13 0.56 0.26 0.45 -0.92 0.00 0.00 175.35 175.84 2gbs s SER 8 N -1.71 2.37 -0.22 2.83 0.15 0.55 -4.90 113.70 112.77 2gbs s SER 8 Ca 0.33 -2.37 -0.29 0.00 0.70 0.00 0.00 55.95 54.31 2gbs s SER 8 Cb -0.14 -0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 63.82 2gbs s SER 8 CO 0.18 -0.27 1.81 -1.61 1.20 0.00 0.00 173.24 174.55 2gbs s GLU 9 N 0.83 3.59 0.00 5.44 8.01 -1.25 -1.73 118.70 133.59 2gbs s GLU 9 Ca 0.22 1.76 0.07 0.00 0.01 0.00 0.00 54.97 57.02 2gbs s GLU 9 Cb -0.15 -4.15 0.31 0.00 -4.31 0.00 0.00 34.13 25.83 2gbs s GLU 9 CO -0.05 -1.56 1.15 -0.35 0.01 0.00 0.00 175.26 174.46 2gbs n PRO 10 N 8.05 0.04 0.04 0.39 -0.04 -1.20 -0.26 135.00 142.03 2gbs n PRO 10 Ca 0.22 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 64.12 2gbs n PRO 10 Cb 0.45 -1.50 0.42 0.00 -0.04 0.00 0.00 33.50 32.83 2gbs n PRO 10 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gbs n SER 11 N -1.40 0.45 0.02 3.54 7.64 -1.26 -4.42 113.62 118.19 2gbs n SER 11 Ca 0.02 0.34 -0.01 0.00 1.01 0.00 0.00 58.87 60.24 2gbs n SER 11 Cb 0.07 -0.37 -0.00 0.00 -1.01 0.00 0.00 64.21 62.90 2gbs n SER 11 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2gbs n VAL 12 N -1.84 0.98 -4.19 0.44 0.31 0.64 -5.07 118.33 109.60 2gbs n VAL 12 Ca 0.06 0.30 -0.17 0.00 -0.01 0.00 0.00 64.34 64.52 2gbs n VAL 12 Cb 0.38 -1.57 -0.15 0.00 -0.91 0.00 0.00 33.84 31.60 2gbs n VAL 12 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 2gbs s TRP 13 N -1.88 0.56 0.20 3.52 -0.11 -0.07 -5.07 118.94 116.09 2gbs s TRP 13 Ca -0.04 -0.11 0.05 0.00 1.22 0.00 0.00 56.10 57.22 2gbs s TRP 13 Cb 0.01 -0.39 -0.05 0.00 -1.50 0.00 0.00 33.47 31.54 2gbs s TRP 13 CO 0.05 -0.03 -0.07 0.45 -4.62 0.00 0.00 176.95 172.73 2gbs s SER 14 N 0.01 2.06 0.47 5.86 0.15 -1.26 -3.26 113.70 117.74 2gbs s SER 14 Ca 0.00 -1.11 0.17 0.00 0.70 0.00 0.00 55.95 55.71 2gbs s SER 14 Cb -0.04 -0.05 1.14 0.00 -1.71 0.00 0.00 66.02 65.37 2gbs s SER 14 CO -0.00 -0.37 2.01 -0.25 1.20 0.00 0.00 173.24 175.83 2gbs h TRP 15 N 2.57 0.28 -0.42 3.44 2.91 -1.97 -2.39 115.95 120.36 2gbs h TRP 15 Ca -0.38 0.01 0.07 0.00 1.13 0.00 0.00 58.89 59.72 2gbs h TRP 15 Cb 1.21 -0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 29.71 2gbs h TRP 15 CO 0.64 0.13 0.06 -0.44 -1.03 0.00 0.00 178.44 177.81 2gbs h ASP 16 N 0.26 -0.04 0.61 2.65 5.19 -1.99 0.16 116.42 123.25 2gbs h ASP 16 Ca 0.23 0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 56.62 2gbs h ASP 16 Cb 0.56 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 40.17 2gbs h ASP 16 CO -0.05 0.02 -0.46 1.56 -3.12 0.00 0.00 179.24 177.19 2gbs h GLN 17 N 0.19 0.00 0.00 3.56 4.20 -1.86 -2.36 115.11 118.85 2gbs h GLN 17 Ca 0.20 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.82 2gbs h GLN 17 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2gbs h GLN 17 CO -0.29 0.46 -0.47 0.37 -0.67 0.00 0.00 178.83 178.24 2gbs h GLN 18 N 0.00 0.00 -0.39 1.46 5.75 -1.15 -1.93 115.11 118.85 2gbs h GLN 18 Ca -0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 2gbs h GLN 18 Cb 0.88 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.42 2gbs h GLN 18 CO 0.06 0.47 -0.02 0.28 -2.65 0.00 0.00 178.83 176.97 2gbs h VAL 19 N 0.00 1.26 -0.44 2.39 2.07 -0.22 -0.88 116.25 120.43 2gbs h VAL 19 Ca -0.00 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2gbs h VAL 19 Cb 1.32 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.23 2gbs h VAL 19 CO 0.06 0.35 0.23 0.00 0.02 0.00 0.00 177.57 178.22 2gbs h ALA 20 N 0.87 1.57 -0.45 1.67 0.00 -1.35 -1.06 119.26 120.51 2gbs h ALA 20 Ca 0.11 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2gbs h ALA 20 Cb 0.50 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 2gbs h ALA 20 CO 0.02 0.36 0.13 1.63 0.00 0.00 0.00 179.25 181.39 2gbs n LYS 21 N -4.41 2.92 -0.06 0.00 5.02 -0.74 -4.55 118.16 116.34 2gbs n LYS 21 Ca 0.03 -1.95 -0.07 0.00 -2.02 0.00 0.00 58.31 54.30 2gbs n LYS 21 Cb 0.11 -1.91 -0.02 0.00 -0.02 0.00 0.00 35.03 33.20 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 3.66 0.13 -1.99 0.72 0.00 0.21 0.34 103.07 106.14 2gbs h GLY 22 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2gbs h GLY 22 CO 0.44 -0.12 0.00 0.00 0.00 0.00 0.00 176.54 176.85 2gbs n ALA 23 N -2.54 2.43 -0.04 3.60 0.00 -1.26 -4.08 120.51 118.61 2gbs n ALA 23 Ca -0.01 -0.93 -0.09 0.00 0.00 0.00 0.00 53.44 52.40 2gbs n ALA 23 Cb 0.18 -0.95 -0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 1.17 2.15 0.00 0.00 0.00 -0.55 -5.15 120.51 118.13 2gbs n ALA 24 Ca 0.19 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2gbs n ALA 24 Cb 0.51 0.26 0.00 0.00 0.00 0.00 0.00 19.45 20.22 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 2.39 1.92 3.24 0.00 0.00 0.11 -4.99 105.19 107.86 2gbs n GLY 25 Ca -0.16 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 43.78 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 -2.59 0.40 -0.01 1.61 2.56 0.20 -4.92 118.70 115.95 2gbs s GLU 26 Ca 0.00 0.51 -0.24 0.00 0.00 0.00 0.00 54.97 55.25 2gbs s GLU 26 Cb 0.00 0.17 -0.05 0.00 2.00 0.00 0.00 34.13 36.25 2gbs s GLU 26 CO 0.00 -0.06 0.72 0.00 -0.56 0.00 0.00 175.26 175.36 2gbs s ALA 27 N 0.33 3.36 -1.43 6.30 0.00 -1.26 -0.54 121.76 128.52 2gbs s ALA 27 Ca -0.01 0.19 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 2gbs s ALA 27 Cb -0.03 -2.96 0.06 0.00 0.00 0.00 0.00 23.12 20.19 2gbs s ALA 27 CO -0.01 -0.01 2.38 1.87 0.00 0.00 0.00 175.76 179.99 2gbs n TRP 28 N 3.27 2.86 -4.04 0.00 -0.00 0.53 -4.94 117.44 115.12 2gbs n TRP 28 Ca -0.02 -2.93 -0.25 0.00 -0.00 0.00 0.00 57.50 54.31 2gbs n TRP 28 Cb 0.51 -2.22 -0.04 0.00 -0.00 0.00 0.00 31.31 29.56 2gbs n TRP 28 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 177.69 177.61 2gbs s THR 29 N 1.18 4.81 0.00 5.87 -1.32 -1.26 -4.40 115.64 120.52 2gbs s THR 29 Ca 0.53 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 2gbs s THR 29 Cb 0.15 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.63 2gbs s THR 29 CO -0.06 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 2gbs n GLY 30 N -0.70 1.15 3.80 6.08 0.00 -1.26 -5.08 105.19 109.17 2gbs n GLY 30 Ca -0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 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 4.59 0.00 1.61 -7.23 -1.26 -4.93 120.40 111.17 2gbs s VAL 31 Ca 0.00 1.40 0.00 0.00 -1.81 0.00 0.00 61.98 61.57 2gbs s VAL 31 Cb 0.00 -3.99 0.00 0.00 0.56 0.00 0.00 36.38 32.95 2gbs s VAL 31 CO 0.00 0.53 0.00 -1.14 -0.31 0.00 0.00 175.10 174.18 2gbs n ARG 32 N 1.62 1.74 -2.14 4.82 0.63 -1.26 -4.94 116.66 117.13 2gbs n ARG 32 Ca -0.08 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.42 2gbs n ARG 32 Cb 0.50 -0.84 -0.02 0.00 0.45 0.00 0.00 32.46 32.54 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 -1.56 6.41 0.15 6.15 -0.87 -1.26 -4.89 114.94 119.06 2gbs s ASN 33 Ca 0.00 1.58 -0.14 0.00 -1.57 0.00 0.00 52.86 52.73 2gbs s ASN 33 Cb 0.00 -2.53 0.02 0.00 -0.02 0.00 0.00 41.25 38.72 2gbs s ASN 33 CO 0.00 -1.24 1.68 0.45 -2.57 0.00 0.00 177.10 175.42 2gbs h HIS 34 N 10.57 0.75 -0.50 2.20 3.86 -1.98 -0.93 115.15 129.11 2gbs h HIS 34 Ca -0.33 -0.07 0.03 0.00 -1.16 0.00 0.00 60.37 58.84 2gbs h HIS 34 Cb 1.15 -0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.36 2gbs h HIS 34 CO 0.91 0.65 0.28 0.77 0.86 0.00 0.00 177.93 181.40 2gbs h SER 35 N 0.62 0.42 -0.00 2.45 0.02 -1.99 0.10 113.55 115.17 2gbs h SER 35 Ca 0.15 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2gbs h SER 35 Cb 0.25 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.72 2gbs h SER 35 CO -0.01 0.29 0.00 0.00 -1.14 0.00 0.00 176.83 175.98 2gbs h ALA 36 N 1.25 0.01 -0.92 3.77 0.00 -1.77 -2.59 119.26 119.01 2gbs h ALA 36 Ca 0.21 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.16 2gbs h ALA 36 Cb 0.08 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 2gbs h ALA 36 CO -0.13 -0.47 0.58 -0.22 0.00 0.00 0.00 179.25 179.01 2gbs h LYS 37 N -0.04 1.04 -0.71 0.00 3.64 -0.68 -0.74 116.57 119.08 2gbs h LYS 37 Ca 0.00 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.36 2gbs h LYS 37 Cb 0.04 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.58 2gbs h LYS 37 CO -0.00 0.69 0.43 -0.07 -2.27 0.00 0.00 179.45 178.22 2gbs h LEU 38 N 1.07 0.68 -0.65 5.20 3.38 -0.52 0.22 115.31 124.69 2gbs h LEU 38 Ca 0.39 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.35 2gbs h LEU 38 Cb 0.15 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2gbs h LEU 38 CO -0.17 0.45 -0.11 0.45 0.09 0.00 0.00 178.44 179.16 2gbs h HIS 39 N 0.81 0.00 0.00 1.13 3.86 -0.98 -2.72 115.15 117.25 2gbs h HIS 39 Ca 0.30 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.48 2gbs h HIS 39 Cb 0.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 2gbs h HIS 39 CO -0.05 0.11 -0.16 0.52 0.86 0.00 0.00 177.93 179.20 2gbs h MET 40 N 0.00 0.00 -0.05 2.45 2.86 0.31 -2.87 114.93 117.63 2gbs h MET 40 Ca -0.00 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.51 2gbs h MET 40 Cb 0.86 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.50 2gbs h MET 40 CO 0.01 0.16 -0.54 0.28 1.06 0.00 0.00 176.91 177.89 2gbs h VAL 41 N 0.00 1.37 -0.00 -2.22 2.07 -0.69 -2.89 116.25 113.89 2gbs h VAL 41 Ca -0.00 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.67 2gbs h VAL 41 Cb 1.02 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2gbs h VAL 41 CO 0.02 0.54 -0.06 0.00 0.02 0.00 0.00 177.57 178.09 2gbs n ALA 42 N -2.46 2.66 -2.62 1.67 0.00 -1.09 -4.77 120.51 113.90 2gbs n ALA 42 Ca -0.02 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.77 2gbs n ALA 42 Cb 0.56 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.59 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 -2.45 4.11 0.50 0.00 -1.94 -1.09 -4.93 119.30 113.50 2gbs s MET 43 Ca 0.31 1.19 0.03 0.00 -1.71 0.00 0.00 55.69 55.51 2gbs s MET 43 Cb 0.20 -3.72 -0.01 0.00 2.01 0.00 0.00 34.83 33.31 2gbs s MET 43 CO 0.46 -0.84 0.13 -0.98 -0.01 0.00 0.00 175.02 173.78 2gbs s ARG 44 N 3.57 2.19 0.10 2.03 1.70 -1.26 -3.82 118.95 123.47 2gbs s ARG 44 Ca 0.46 -2.21 -0.31 0.00 -0.47 0.00 0.00 55.73 53.20 2gbs s ARG 44 Cb -0.14 -1.74 -0.08 0.00 -0.57 0.00 0.00 34.95 32.42 2gbs s ARG 44 CO 0.14 -0.37 1.43 0.50 -1.08 0.00 0.00 175.30 175.92 2gbs s ARG 45 N -3.97 4.29 0.00 3.89 3.52 -1.26 -1.86 118.95 123.56 2gbs s ARG 45 Ca 0.20 2.12 0.00 0.00 -0.13 0.00 0.00 55.73 57.92 2gbs s ARG 45 Cb 0.02 -3.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.10 2gbs s ARG 45 CO 0.11 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.51 2gbs n GLY 46 N 3.59 0.28 3.80 8.12 0.00 -0.05 -4.63 105.19 116.29 2gbs n GLY 46 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.39 6.41 0.03 1.61 1.01 -0.78 -1.63 116.67 120.93 2gbs s ASP 47 Ca 0.00 1.92 0.02 0.00 0.71 0.00 0.00 52.55 55.20 2gbs s ASP 47 Cb 0.00 -2.56 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2gbs s ASP 47 CO 0.00 -0.73 -0.07 -0.13 0.21 0.00 0.00 175.17 174.45 2gbs s ARG 48 N -3.17 0.49 0.16 8.23 0.52 -0.47 -0.19 118.95 124.52 2gbs s ARG 48 Ca 0.66 -0.64 0.05 0.00 -0.52 0.00 0.00 55.73 55.28 2gbs s ARG 48 Cb -0.16 -0.28 -0.05 0.00 0.52 0.00 0.00 34.95 34.98 2gbs s ARG 48 CO 0.20 0.05 -0.11 0.00 0.02 0.00 0.00 175.30 175.47 2gbs s ALA 49 N -1.15 1.60 -0.09 2.13 0.00 0.55 -0.47 121.76 124.34 2gbs s ALA 49 Ca -0.08 -1.54 -0.20 0.00 0.00 0.00 0.00 51.96 50.14 2gbs s ALA 49 Cb -0.08 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 2gbs s ALA 49 CO 0.00 -0.06 0.55 -0.06 0.00 0.00 0.00 175.76 176.19 2gbs s PHE 50 N -3.24 3.55 -0.78 0.00 0.08 0.29 -0.99 117.98 116.88 2gbs s PHE 50 Ca 0.18 1.03 -0.22 0.00 0.12 0.00 0.00 56.93 58.04 2gbs s PHE 50 Cb 0.02 -2.63 0.08 0.00 -0.57 0.00 0.00 43.02 39.92 2gbs s PHE 50 CO 0.02 0.17 1.10 -0.47 -0.10 0.00 0.00 175.22 175.95 2gbs s TYR 51 N 0.56 2.72 -0.25 0.36 5.04 0.57 -1.88 117.35 124.48 2gbs s TYR 51 Ca 0.30 -0.75 -0.12 0.00 -2.44 0.00 0.00 57.07 54.06 2gbs s TYR 51 Cb -0.16 -4.38 -0.05 0.00 0.35 0.00 0.00 41.96 37.72 2gbs s TYR 51 CO 0.13 -1.70 0.22 -0.47 -1.34 0.00 0.00 175.55 172.40 2gbs s TYR 52 N 4.02 3.29 -0.54 4.97 5.04 -1.02 -0.89 117.35 132.22 2gbs s TYR 52 Ca 0.29 0.28 -0.28 0.00 -2.44 0.00 0.00 57.07 54.92 2gbs s TYR 52 Cb -0.11 -2.36 0.01 0.00 0.35 0.00 0.00 41.96 39.85 2gbs s TYR 52 CO 0.03 -0.03 1.45 -1.01 -1.34 0.00 0.00 175.55 174.65 2gbs s HIS 53 N 1.36 2.25 0.26 4.97 3.76 0.19 -0.33 115.29 127.76 2gbs s HIS 53 Ca 0.10 0.51 -0.09 0.00 -0.15 0.00 0.00 55.06 55.43 2gbs s HIS 53 Cb -0.14 -4.36 -0.07 0.00 1.11 0.00 0.00 32.58 29.12 2gbs s HIS 53 CO 0.07 -2.02 0.58 0.45 -0.85 0.00 0.00 174.74 172.97 2gbs s SER 54 N 4.60 6.59 0.00 1.40 0.15 -0.70 -0.13 113.70 125.60 2gbs s SER 54 Ca 0.55 0.92 0.00 0.00 0.70 0.00 0.00 55.95 58.12 2gbs s SER 54 Cb -0.12 -2.23 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2gbs s SER 54 CO 0.26 -0.13 0.00 -3.20 1.20 0.00 0.00 173.24 171.37 2gbs n ASN 55 N -0.41 0.00 -4.46 5.45 4.05 -1.26 -4.01 115.26 114.62 2gbs n ASN 55 Ca 0.00 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.70 2gbs n ASN 55 Cb 0.53 0.00 -0.13 0.00 1.23 0.00 0.00 39.78 41.41 2gbs n ASN 55 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2gbs s GLU 56 N 0.00 2.93 0.00 1.20 2.56 -1.26 -4.68 118.70 119.45 2gbs s GLU 56 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 54.97 54.31 2gbs s GLU 56 Cb 0.00 -2.54 0.00 0.00 2.00 0.00 0.00 34.13 33.59 2gbs s GLU 56 CO 0.00 0.46 0.00 0.41 -0.56 0.00 0.00 175.26 175.57 2gbs n GLY 57 N 2.80 2.35 3.69 -1.50 0.00 -1.26 -4.67 105.19 106.61 2gbs n GLY 57 Ca -0.18 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 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 -5.57 -3.75 1.61 5.02 0.81 -4.86 118.16 111.42 2gbs n LYS 58 Ca 0.00 0.67 -0.13 0.00 -2.02 0.00 0.00 58.31 56.83 2gbs n LYS 58 Cb 0.00 -5.41 -0.09 0.00 -0.02 0.00 0.00 35.03 29.51 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 -6.05 0.61 -0.27 1.97 -1.05 -1.22 -0.28 118.70 112.41 2gbs s GLU 59 Ca 0.19 0.01 -0.22 0.00 -0.15 0.00 0.00 54.97 54.80 2gbs s GLU 59 Cb -0.09 0.28 -0.01 0.00 -0.44 0.00 0.00 34.13 33.86 2gbs s GLU 59 CO 0.80 -0.15 0.70 0.42 0.95 0.00 0.00 175.26 177.98 2gbs s ILE 60 N -0.90 4.90 -0.14 1.83 1.01 0.10 -0.63 121.20 127.38 2gbs s ILE 60 Ca -0.10 1.18 0.06 0.00 0.00 0.00 0.00 60.65 61.80 2gbs s ILE 60 Cb -0.04 -4.03 -0.13 0.00 0.01 0.00 0.00 42.46 38.27 2gbs s ILE 60 CO 0.03 -0.08 -0.04 1.33 0.00 0.00 0.00 174.94 176.18 2gbs n VAL 61 N 5.32 0.87 -3.93 2.92 0.24 -0.07 -1.07 118.33 122.61 2gbs n VAL 61 Ca 0.02 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.76 2gbs n VAL 61 Cb 0.48 -0.85 -0.02 0.00 -1.47 0.00 0.00 33.84 31.98 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 2.48 2.04 3.17 7.63 0.00 -1.24 -0.41 105.19 118.86 2gbs n GLY 62 Ca -0.24 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.67 1.93 -0.04 -0.61 1.01 -0.05 -0.31 121.20 120.45 2gbs s ILE 63 Ca 0.23 -0.92 -0.02 0.00 0.00 0.00 0.00 60.65 59.94 2gbs s ILE 63 Cb -0.01 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 2gbs s ILE 63 CO 0.16 0.53 0.08 0.00 0.00 0.00 0.00 174.94 175.71 2gbs s ALA 64 N 0.60 3.59 0.01 9.38 0.00 -0.16 -1.46 121.76 133.71 2gbs s ALA 64 Ca -0.13 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.09 2gbs s ALA 64 Cb -0.17 -1.64 -0.02 0.00 0.00 0.00 0.00 23.12 21.29 2gbs s ALA 64 CO 0.04 0.66 -0.24 -2.00 0.00 0.00 0.00 175.76 174.22 2gbs s GLU 65 N -1.44 1.83 -0.28 0.00 2.12 0.51 -0.33 118.70 121.11 2gbs s GLU 65 Ca 0.20 -0.93 -0.28 0.00 0.36 0.00 0.00 54.97 54.32 2gbs s GLU 65 Cb -0.12 -1.85 0.01 0.00 0.26 0.00 0.00 34.13 32.43 2gbs s GLU 65 CO 0.10 0.50 0.99 0.42 -0.54 0.00 0.00 175.26 176.72 2gbs s ILE 66 N -0.65 4.64 -0.37 -3.70 -1.09 0.73 -1.24 121.20 119.52 2gbs s ILE 66 Ca 0.10 1.70 0.10 0.00 -2.23 0.00 0.00 60.65 60.32 2gbs s ILE 66 Cb -0.09 -4.31 -0.11 0.00 -1.58 0.00 0.00 42.46 36.36 2gbs s ILE 66 CO 0.00 -0.31 0.37 2.30 -1.23 0.00 0.00 174.94 176.07 2gbs n ILE 67 N 5.59 0.00 -3.77 2.92 -5.35 -0.93 -0.87 119.36 116.95 2gbs n ILE 67 Ca 0.10 -0.26 -0.27 0.00 -0.27 0.00 0.00 62.75 62.04 2gbs n ILE 67 Cb 0.47 0.86 -0.17 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 -2.06 0.81 1.03 6.28 3.52 -1.17 -4.93 118.95 122.43 2gbs s ARG 68 Ca 0.02 -0.41 -0.12 0.00 -0.13 0.00 0.00 55.73 55.09 2gbs s ARG 68 Cb 0.07 -1.99 0.21 0.00 -1.56 0.00 0.00 34.95 31.68 2gbs s ARG 68 CO 0.40 -0.57 1.08 -1.21 -0.81 0.00 0.00 175.30 174.19 2gbs s GLU 69 N 1.81 0.14 -0.28 5.12 2.02 -1.26 -2.57 118.70 123.68 2gbs s GLU 69 Ca -0.00 0.58 -0.37 0.00 0.02 0.00 0.00 54.97 55.19 2gbs s GLU 69 Cb -0.16 -1.70 -0.13 0.00 0.10 0.00 0.00 34.13 32.24 2gbs s GLU 69 CO -0.07 -2.94 1.97 0.00 0.02 0.00 0.00 175.26 174.23 2gbs n ALA 70 N -4.33 0.55 -2.38 5.21 0.00 -1.25 -4.74 120.51 113.57 2gbs n ALA 70 Ca 0.05 0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.51 2gbs n ALA 70 Cb 0.57 -2.41 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 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 5.30 1.30 0.04 0.00 1.13 -0.30 -4.91 117.35 119.91 2gbs s TYR 71 Ca 1.03 -0.66 -0.36 0.00 -1.41 0.00 0.00 57.07 55.67 2gbs s TYR 71 Cb -0.93 -0.67 -0.15 0.00 -1.10 0.00 0.00 41.96 39.11 2gbs s TYR 71 CO 0.56 0.11 1.54 -0.35 -2.51 0.00 0.00 175.55 174.90 2gbs n PRO 72 N 0.16 1.60 -1.69 -3.49 -0.04 -1.26 -0.22 135.00 130.05 2gbs n PRO 72 Ca -0.13 0.58 -0.44 0.00 -0.04 0.00 0.00 63.50 63.47 2gbs n PRO 72 Cb 0.59 -2.29 -0.03 0.00 -0.04 0.00 0.00 33.50 31.72 2gbs n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2gbs n ASP 73 N 3.69 3.75 0.00 3.54 -0.08 0.85 -4.70 116.55 123.60 2gbs n ASP 73 Ca 0.19 1.03 0.03 0.00 -1.51 0.00 0.00 54.79 54.54 2gbs n ASP 73 Cb 0.23 -1.51 0.17 0.00 2.34 0.00 0.00 41.12 42.34 2gbs n ASP 73 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2gbs n PRO 74 N 4.73 0.10 0.04 -0.67 -0.02 -1.26 -1.03 135.00 136.89 2gbs n PRO 74 Ca 0.18 0.22 0.12 0.00 -2.02 0.00 0.00 63.50 61.99 2gbs n PRO 74 Cb 0.34 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.51 2gbs n PRO 74 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 2gbs n THR 75 N -1.28 0.25 -4.70 3.45 5.66 -1.26 -4.88 114.28 111.52 2gbs n THR 75 Ca 0.03 -0.20 -0.31 0.00 -3.05 0.00 0.00 64.05 60.51 2gbs n THR 75 Cb 0.05 -0.03 -0.13 0.00 -1.55 0.00 0.00 70.33 68.68 2gbs n THR 75 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2gbs s ASP 76 N -3.90 3.95 0.00 1.09 2.15 -0.20 -5.03 116.67 114.74 2gbs s ASP 76 Ca 0.07 -0.33 0.25 0.00 0.43 0.00 0.00 52.55 52.97 2gbs s ASP 76 Cb 0.15 -0.73 0.81 0.00 -0.30 0.00 0.00 42.92 42.85 2gbs s ASP 76 CO 0.72 0.28 1.60 0.00 -0.17 0.00 0.00 175.17 177.60 2gbs n ALA 77 N 1.75 2.53 -0.00 3.66 0.00 -1.26 -4.31 120.51 122.88 2gbs n ALA 77 Ca -0.16 -0.54 -0.01 0.00 0.00 0.00 0.00 53.44 52.73 2gbs n ALA 77 Cb 0.52 -1.08 -0.00 0.00 0.00 0.00 0.00 19.45 18.89 2gbs n ALA 77 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gbs n SER 78 N 0.45 2.34 0.00 0.00 2.88 -1.26 -5.04 113.62 112.99 2gbs n SER 78 Ca 0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2gbs n SER 78 Cb 0.39 -0.02 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2gbs n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2gbs n GLY 79 N 3.25 1.91 0.19 0.46 0.00 -1.26 -5.00 105.19 104.74 2gbs n GLY 79 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -6.55 1.61 3.64 -1.93 -3.42 116.57 109.92 2gbs h LYS 80 Ca 0.00 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.70 2gbs h LYS 80 Cb 0.00 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 31.61 2gbs h LYS 80 CO 0.00 0.36 -0.79 -0.06 -2.27 0.00 0.00 179.45 176.69 2gbs s PHE 81 N -3.70 2.59 0.11 1.91 0.08 -1.26 -5.06 117.98 112.65 2gbs s PHE 81 Ca -0.00 -0.24 0.09 0.00 0.12 0.00 0.00 56.93 56.90 2gbs s PHE 81 Cb 0.11 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 2gbs s PHE 81 CO 0.68 0.27 -0.23 0.14 -0.10 0.00 0.00 175.22 175.99 2gbs s VAL 82 N -0.94 1.86 0.19 -0.44 -7.23 -1.26 -0.10 120.40 112.48 2gbs s VAL 82 Ca 0.15 -1.58 -0.00 0.00 -1.81 0.00 0.00 61.98 58.74 2gbs s VAL 82 Cb -0.11 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 2gbs s VAL 82 CO 0.06 0.00 0.09 0.00 -0.31 0.00 0.00 175.10 174.94 2gbs s VAL 84 N -3.97 1.41 -0.24 0.00 -7.23 -1.26 -1.15 120.40 107.96 2gbs s VAL 84 Ca 0.33 -2.12 -0.08 0.00 -1.81 0.00 0.00 61.98 58.31 2gbs s VAL 84 Cb 0.07 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 2gbs s VAL 84 CO 0.09 -0.52 0.08 -0.62 -0.31 0.00 0.00 175.10 173.82 2gbs s ASP 85 N -3.30 5.25 0.04 4.85 -1.08 -1.06 -0.35 116.67 121.03 2gbs s ASP 85 Ca 0.24 -0.16 0.05 0.00 -0.52 0.00 0.00 52.55 52.16 2gbs s ASP 85 Cb 0.02 -1.94 -0.04 0.00 -1.46 0.00 0.00 42.92 39.51 2gbs s ASP 85 CO 0.06 -0.01 -0.08 0.27 0.52 0.00 0.00 175.17 175.94 2gbs s ILE 86 N 1.45 3.53 0.16 4.11 -4.36 0.30 -2.19 121.20 124.19 2gbs s ILE 86 Ca 0.06 -0.97 0.08 0.00 -0.26 0.00 0.00 60.65 59.56 2gbs s ILE 86 Cb -0.15 -2.58 -0.04 0.00 1.25 0.00 0.00 42.46 40.94 2gbs s ILE 86 CO 0.04 0.29 -0.16 -1.59 0.24 0.00 0.00 174.94 173.75 2gbs s LYS 87 N -1.72 1.21 -0.13 0.37 -2.85 -0.37 -0.63 119.74 115.62 2gbs s LYS 87 Ca 0.19 -1.39 -0.29 0.00 -1.00 0.00 0.00 55.97 53.47 2gbs s LYS 87 Cb -0.11 -1.16 -0.01 0.00 -2.06 0.00 0.00 37.83 34.49 2gbs s LYS 87 CO 0.10 0.23 1.03 0.00 0.10 0.00 0.00 175.35 176.81 2gbs s ALA 88 N -2.24 3.48 -0.10 0.59 0.00 -1.26 -0.36 121.76 121.87 2gbs s ALA 88 Ca 0.15 0.35 -0.07 0.00 0.00 0.00 0.00 51.96 52.39 2gbs s ALA 88 Cb -0.05 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2gbs s ALA 88 CO 0.05 -0.72 -0.13 -3.47 0.00 0.00 0.00 175.76 171.49 2gbs n ASP 89 N 5.34 1.20 -3.68 0.00 -0.08 -0.54 -4.72 116.55 114.07 2gbs n ASP 89 Ca 0.10 0.46 -0.15 0.00 -1.51 0.00 0.00 54.79 53.69 2gbs n ASP 89 Cb 0.48 -0.73 -0.08 0.00 2.34 0.00 0.00 41.12 43.13 2gbs n ASP 89 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 2gbs s LYS 90 N -1.88 0.80 0.55 -0.67 -2.85 -1.24 -5.04 119.74 109.42 2gbs s LYS 90 Ca -0.11 -0.07 -0.06 0.00 -1.00 0.00 0.00 55.97 54.74 2gbs s LYS 90 Cb 0.02 0.36 -0.01 0.00 -2.06 0.00 0.00 37.83 36.14 2gbs s LYS 90 CO 0.16 -0.24 0.86 -1.25 0.10 0.00 0.00 175.35 174.99 2gbs s PRO 91 N -1.35 3.17 0.67 1.78 0.04 -1.26 -0.87 135.00 137.17 2gbs s PRO 91 Ca -0.12 0.09 -0.11 0.00 0.04 0.00 0.00 61.00 60.90 2gbs s PRO 91 Cb -0.03 -2.30 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 2gbs s PRO 91 CO 0.06 -0.52 1.05 -0.51 0.04 0.00 0.00 177.00 177.12 2gbs s LEU 92 N -4.91 3.12 0.08 -3.56 1.43 0.45 -4.89 118.68 110.39 2gbs s LEU 92 Ca 0.52 1.44 -0.27 0.00 -1.03 0.00 0.00 54.13 54.78 2gbs s LEU 92 Cb -0.10 -4.38 -0.17 0.00 0.03 0.00 0.00 46.19 41.57 2gbs s LEU 92 CO 0.45 -1.18 1.67 0.50 0.23 0.00 0.00 176.35 178.02 2gbs h LYS 93 N -0.54 -0.37 -3.64 1.70 1.63 -1.86 -3.42 116.57 110.07 2gbs h LYS 93 Ca -0.44 0.03 -0.41 0.00 -0.85 0.00 0.00 60.65 58.98 2gbs h LYS 93 Cb 1.21 0.08 -0.37 0.00 -0.60 0.00 0.00 32.23 32.55 2gbs h LYS 93 CO 0.60 -0.23 -0.76 0.95 -3.45 0.00 0.00 179.45 176.56 2gbs s THR 94 N -6.06 0.25 0.26 1.00 -4.23 -0.41 -5.04 115.64 101.42 2gbs s THR 94 Ca -0.15 0.17 -0.30 0.00 -1.18 0.00 0.00 61.69 60.23 2gbs s THR 94 Cb 0.05 -0.41 -0.14 0.00 1.34 0.00 0.00 72.50 73.33 2gbs s THR 94 CO 0.64 0.22 1.18 -2.65 -0.54 0.00 0.00 174.62 173.47 2gbs n PRO 95 N 4.95 1.58 -3.29 3.99 -0.02 -1.26 -4.57 135.00 136.39 2gbs n PRO 95 Ca -0.10 0.56 -0.44 0.00 -2.02 0.00 0.00 63.50 61.50 2gbs n PRO 95 Cb 0.50 -2.06 -0.08 0.00 -0.02 0.00 0.00 33.50 31.85 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 -0.63 5.06 0.71 -1.45 1.01 -0.23 -4.84 120.40 120.04 2gbs s VAL 96 Ca 0.64 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.89 2gbs s VAL 96 Cb -0.70 -4.15 0.02 0.00 0.00 0.00 0.00 36.38 31.55 2gbs s VAL 96 CO 0.56 -0.59 1.08 0.42 0.00 0.00 0.00 175.10 176.56 2gbs s THR 97 N 2.15 3.67 0.46 3.92 -4.23 -1.26 0.02 115.64 120.37 2gbs s THR 97 Ca 0.11 0.58 0.13 0.00 -1.18 0.00 0.00 61.69 61.32 2gbs s THR 97 Cb -0.20 -3.18 0.29 0.00 1.34 0.00 0.00 72.50 70.75 2gbs s THR 97 CO 0.11 -0.67 2.06 0.25 -0.54 0.00 0.00 174.62 175.82 2gbs h LEU 98 N -0.73 0.28 -0.89 4.79 5.85 -0.97 0.03 115.31 123.67 2gbs h LEU 98 Ca -0.44 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.21 2gbs h LEU 98 Cb 1.22 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2gbs h LEU 98 CO 0.54 0.19 0.09 0.00 -0.34 0.00 0.00 178.44 178.93 2gbs h ALA 99 N 1.80 1.09 -0.15 1.25 0.00 -1.92 -0.54 119.26 120.79 2gbs h ALA 99 Ca 0.15 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 2gbs h ALA 99 Cb 0.20 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2gbs h ALA 99 CO -0.03 0.59 -0.60 0.00 0.00 0.00 0.00 179.25 179.21 2gbs h ALA 100 N 1.23 0.68 -0.94 0.00 0.00 -1.47 -2.69 119.26 116.08 2gbs h ALA 100 Ca 0.18 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2gbs h ALA 100 Cb 0.38 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2gbs h ALA 100 CO 0.01 0.71 0.56 0.28 0.00 0.00 0.00 179.25 180.80 2gbs h VAL 101 N 0.37 1.26 -0.01 0.00 2.07 -0.63 -1.18 116.25 118.13 2gbs h VAL 101 Ca -0.00 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2gbs h VAL 101 Cb 1.14 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2gbs h VAL 101 CO 0.11 0.27 0.00 0.29 0.02 0.00 0.00 177.57 178.26 2gbs n LYS 102 N -4.36 1.03 0.01 1.57 5.02 -0.25 -2.65 118.16 118.53 2gbs n LYS 102 Ca 0.10 -0.05 0.11 0.00 -2.02 0.00 0.00 58.31 56.46 2gbs n LYS 102 Cb 0.06 -1.21 -0.04 0.00 -0.02 0.00 0.00 35.03 33.82 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 -0.66 3.69 -2.91 7.82 0.00 -0.45 -4.82 120.51 123.18 2gbs n ALA 103 Ca 0.10 -0.48 -0.38 0.00 0.00 0.00 0.00 53.44 52.68 2gbs n ALA 103 Cb 0.06 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 18.50 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 -3.19 3.33 0.58 0.00 -6.30 -1.08 -4.98 118.70 107.06 2gbs s GLU 104 Ca 0.03 -0.72 0.27 0.00 -2.50 0.00 0.00 54.97 52.06 2gbs s GLU 104 Cb 0.15 -3.53 1.67 0.00 0.00 0.00 0.00 34.13 32.42 2gbs s GLU 104 CO 0.83 -0.40 2.19 -1.35 0.02 0.00 0.00 175.26 176.55 2gbs h PRO 105 N 8.33 0.00 0.00 4.30 0.11 -1.87 -1.84 132.00 141.03 2gbs h PRO 105 Ca -0.32 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.74 2gbs h PRO 105 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2gbs h PRO 105 CO 0.61 0.00 -0.95 -0.09 -0.21 0.00 0.00 178.00 177.36 2gbs h ARG 106 N 0.00 0.00 0.00 1.05 2.43 -1.93 -3.13 114.38 112.79 2gbs h ARG 106 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2gbs h ARG 106 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 2gbs h ARG 106 CO -0.00 0.10 0.00 1.28 -1.51 0.00 0.00 179.97 179.84 2gbs n LEU 107 N -2.82 0.00 0.00 3.80 4.77 -0.70 -2.56 117.00 119.49 2gbs n LEU 107 Ca -0.02 0.38 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 2gbs n LEU 107 Cb 0.63 -0.38 0.57 0.00 -2.33 0.00 0.00 43.42 41.91 2gbs n LEU 107 CO 0.40 -0.09 0.85 0.00 -1.33 0.00 0.00 177.39 177.21 2gbs n ALA 108 N -1.38 2.16 0.08 -1.18 0.00 -1.18 -2.25 120.51 116.76 2gbs n ALA 108 Ca 0.08 -0.11 0.11 0.00 0.00 0.00 0.00 53.44 53.52 2gbs n ALA 108 Cb 0.22 -1.35 -0.11 0.00 0.00 0.00 0.00 19.45 18.20 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 -1.23 0.30 -4.72 0.00 2.03 -1.06 -4.65 116.55 107.22 2gbs n ASP 109 Ca 0.12 0.06 -0.37 0.00 0.52 0.00 0.00 54.79 55.11 2gbs n ASP 109 Cb 0.15 1.47 0.07 0.00 -0.72 0.00 0.00 41.12 42.10 2gbs n ASP 109 CO 0.00 0.00 0.00 0.80 -1.92 0.00 0.00 177.20 176.08 2gbs n MET 110 N -2.34 1.03 -0.17 -0.67 1.56 -0.95 -4.73 117.12 110.84 2gbs n MET 110 Ca -0.02 0.41 0.20 0.00 -0.27 0.00 0.00 57.70 58.01 2gbs n MET 110 Cb 0.55 -2.51 0.58 0.00 2.15 0.00 0.00 33.22 33.98 2gbs n MET 110 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2gbs h ALA 111 N 0.41 2.33 0.00 -5.12 0.00 -1.89 0.50 119.26 115.49 2gbs h ALA 111 Ca -0.50 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.34 2gbs h ALA 111 Cb 1.34 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2gbs h ALA 111 CO 0.52 -0.57 -0.28 1.25 0.00 0.00 0.00 179.25 180.18 2gbs h LEU 112 N 0.27 0.00 0.02 0.00 5.85 -1.90 0.56 115.31 120.11 2gbs h LEU 112 Ca 0.39 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.87 2gbs h LEU 112 Cb 1.13 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 2gbs h LEU 112 CO -0.10 0.28 -1.21 -0.03 -0.34 0.00 0.00 178.44 177.04 2gbs h MET 113 N 0.00 0.03 0.15 1.25 4.05 -1.17 -3.28 114.93 115.95 2gbs h MET 113 Ca -0.00 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2gbs h MET 113 Cb 0.50 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.33 2gbs h MET 113 CO 0.04 0.90 -0.07 0.87 0.23 0.00 0.00 176.91 178.88 2gbs h LYS 114 N 0.01 -0.19 -3.94 0.39 1.57 -0.91 -3.44 116.57 110.06 2gbs h LYS 114 Ca -0.10 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.10 2gbs h LYS 114 Cb 1.85 0.04 -0.40 0.00 0.08 0.00 0.00 32.23 33.81 2gbs h LYS 114 CO 0.12 0.19 -0.75 0.71 -0.57 0.00 0.00 179.45 179.15 2gbs s TYR 115 N -2.92 2.22 -1.73 -1.35 2.02 0.19 -4.95 117.35 110.84 2gbs s TYR 115 Ca -0.10 -1.95 0.31 0.00 -0.37 0.00 0.00 57.07 54.96 2gbs s TYR 115 Cb -0.00 -1.91 1.72 0.00 -0.40 0.00 0.00 41.96 41.38 2gbs s TYR 115 CO 0.38 -0.86 2.14 0.43 -1.57 0.00 0.00 175.55 176.08 2gbs n SER 116 N 4.70 0.01 0.11 2.29 7.64 -1.24 -3.18 113.62 123.95 2gbs n SER 116 Ca -0.03 -0.59 -0.24 0.00 1.01 0.00 0.00 58.87 59.02 2gbs n SER 116 Cb 0.43 -0.14 -0.15 0.00 -1.01 0.00 0.00 64.21 63.34 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 0.01 0.47 -6.78 1.43 9.65 -1.92 -3.47 114.38 113.76 2gbs h ARG 117 Ca 0.00 -0.80 -0.53 0.00 -1.10 0.00 0.00 59.98 57.56 2gbs h ARG 117 Cb 0.14 0.30 0.08 0.00 -1.39 0.00 0.00 29.97 29.09 2gbs h ARG 117 CO 0.00 1.38 0.90 -1.17 2.80 0.00 0.00 179.97 183.88 2gbs s LEU 118 N -7.51 4.35 -0.22 3.80 2.96 -1.19 -4.95 118.68 115.93 2gbs s LEU 118 Ca -0.12 2.93 -0.18 0.00 -0.22 0.00 0.00 54.13 56.54 2gbs s LEU 118 Cb 0.04 -3.63 -0.15 0.00 0.50 0.00 0.00 46.19 42.95 2gbs s LEU 118 CO 0.90 -0.91 0.01 -1.54 -1.32 0.00 0.00 176.35 173.48 2gbs n SER 119 N 2.38 1.88 -4.33 3.68 3.41 -1.26 -4.75 113.62 114.63 2gbs n SER 119 Ca 0.09 0.43 -0.46 0.00 -0.26 0.00 0.00 58.87 58.67 2gbs n SER 119 Cb 0.37 -0.91 -0.05 0.00 -0.26 0.00 0.00 64.21 63.36 2gbs n SER 119 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2gbs s VAL 120 N -2.40 5.16 0.06 -3.33 1.01 -1.26 -2.86 120.40 116.77 2gbs s VAL 120 Ca -0.29 -1.36 0.04 0.00 0.00 0.00 0.00 61.98 60.36 2gbs s VAL 120 Cb 0.07 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2gbs s VAL 120 CO 0.51 -0.86 0.00 -1.10 0.00 0.00 0.00 175.10 173.65 2gbs s GLN 121 N 1.76 2.65 0.00 2.72 -0.21 0.30 -4.67 119.66 122.21 2gbs s GLN 121 Ca 0.04 -0.75 -0.22 0.00 0.02 0.00 0.00 55.36 54.46 2gbs s GLN 121 Cb -0.28 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.08 2gbs s GLN 121 CO 0.04 0.57 0.65 -1.25 -2.12 0.00 0.00 175.29 173.18 2gbs s PRO 122 N -2.04 4.38 -0.10 2.91 0.05 -1.26 -0.06 135.00 138.87 2gbs s PRO 122 Ca 0.24 0.83 0.01 0.00 0.05 0.00 0.00 61.00 62.13 2gbs s PRO 122 Cb -0.12 -3.36 0.02 0.00 0.05 0.00 0.00 34.50 31.09 2gbs s PRO 122 CO 0.16 0.31 -0.13 0.08 0.05 0.00 0.00 177.00 177.46 2gbs s VAL 123 N -0.04 1.35 0.79 -0.36 1.01 0.35 -4.54 120.40 118.96 2gbs s VAL 123 Ca 0.34 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.66 2gbs s VAL 123 Cb -0.19 -1.25 0.08 0.00 0.00 0.00 0.00 36.38 35.02 2gbs s VAL 123 CO 0.19 0.41 1.14 0.42 0.00 0.00 0.00 175.10 177.26 2gbs s THR 124 N 1.05 2.07 0.25 3.92 -4.23 -1.26 -3.73 115.64 113.71 2gbs s THR 124 Ca -0.06 -0.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.31 2gbs s THR 124 Cb -0.15 -3.00 0.25 0.00 1.34 0.00 0.00 72.50 70.95 2gbs s THR 124 CO -0.02 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 175.98 2gbs h ALA 125 N -0.96 1.25 0.04 3.99 0.00 -1.95 0.13 119.26 121.77 2gbs h ALA 125 Ca -0.45 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.39 2gbs h ALA 125 Cb 1.32 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2gbs h ALA 125 CO 0.63 0.67 -0.16 0.93 0.00 0.00 0.00 179.25 181.32 2gbs h GLU 126 N 1.35 -0.27 -0.26 0.00 3.07 -1.99 0.16 114.58 116.63 2gbs h GLU 126 Ca 0.36 0.02 -0.04 0.00 -0.50 0.00 0.00 59.36 59.20 2gbs h GLU 126 Cb -0.12 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 2gbs h GLU 126 CO -0.07 -0.18 0.01 0.93 -1.40 0.00 0.00 179.01 178.29 2gbs h GLU 127 N -0.28 0.46 0.33 2.33 5.08 -1.85 -2.18 114.58 118.48 2gbs h GLU 127 Ca 0.04 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2gbs h GLU 127 Cb 0.33 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2gbs h GLU 127 CO -0.12 0.62 -0.28 2.35 -1.00 0.00 0.00 179.01 180.57 2gbs h TRP 128 N 0.25 -0.74 -0.13 4.33 2.91 -0.54 -2.24 115.95 119.79 2gbs h TRP 128 Ca 0.08 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.04 2gbs h TRP 128 Cb 0.40 0.28 -0.01 0.00 -0.51 0.00 0.00 29.16 29.32 2gbs h TRP 128 CO 0.03 -0.41 -0.16 0.87 -1.03 0.00 0.00 178.44 177.74 2gbs h LYS 129 N -0.62 0.21 0.39 2.65 1.57 -0.71 -2.12 116.57 117.94 2gbs h LYS 129 Ca -0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2gbs h LYS 129 Cb 0.55 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.84 2gbs h LYS 129 CO -0.02 0.38 -0.19 1.25 -0.57 0.00 0.00 179.45 180.30 2gbs h LEU 130 N 0.20 -0.45 -1.20 2.94 5.85 -1.11 -2.05 115.31 119.49 2gbs h LEU 130 Ca 0.04 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2gbs h LEU 130 Cb 0.41 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 2gbs h LEU 130 CO 0.03 -0.19 0.23 0.58 -0.34 0.00 0.00 178.44 178.75 2gbs h VAL 131 N -0.70 1.20 0.63 1.05 2.07 -1.22 0.27 116.25 119.55 2gbs h VAL 131 Ca -0.05 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2gbs h VAL 131 Cb 0.50 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2gbs h VAL 131 CO 0.09 0.24 -0.43 0.00 0.02 0.00 0.00 177.57 177.49 2gbs h LYS 133 N -1.02 0.99 -0.16 0.00 1.57 -1.03 -2.27 116.57 114.65 2gbs h LYS 133 Ca -0.08 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2gbs h LYS 133 Cb 0.84 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2gbs h LYS 133 CO 0.05 0.68 0.09 1.98 -0.57 0.00 0.00 179.45 181.68 2gbs h MET 134 N 1.02 0.22 -0.38 3.15 4.05 -0.14 -0.68 114.93 122.16 2gbs h MET 134 Ca 0.27 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.67 2gbs h MET 134 Cb -0.08 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 30.67 2gbs h MET 134 CO -0.05 0.16 0.00 0.41 0.23 0.00 0.00 176.91 177.66 2gbs n GLY 135 N -1.46 0.33 2.02 1.39 0.00 -0.50 -4.83 105.19 102.13 2gbs n GLY 135 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 0.54 0.36 0.00 -0.02 0.00 -0.26 -1.28 105.19 104.53 2gbs n GLY 136 Ca 0.05 -0.90 0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.12 0.22 0.00 0.99 7.94 -1.16 -4.54 117.00 120.32 2gbs n LEU 137 Ca -0.01 0.32 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 2gbs n LEU 137 Cb 0.39 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2gbs n LEU 137 CO 0.01 0.04 0.21 0.18 -1.11 0.00 0.00 177.39 176.72 2gbs n LEU 138 N -1.53 0.03 0.00 -1.96 4.77 -1.26 -4.95 117.00 112.10 2gbs n LEU 138 Ca 0.06 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.45 2gbs n LEU 138 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2gbs n LEU 138 CO 0.30 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.57 2gbs n GLU 139 N -0.42 0.12 0.14 3.23 2.13 -1.26 -5.07 120.64 119.51 2gbs n GLU 139 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 2gbs n GLU 139 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 2gbs n GLU 139 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2gbs h HIS 140 N 0.12 -0.35 0.00 4.31 6.17 -1.95 -3.47 115.15 119.98 2gbs h HIS 140 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 2gbs h HIS 140 Cb 0.00 0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.05 2gbs h HIS 140 CO 0.00 -0.02 0.00 1.58 0.71 0.00 0.00 177.93 180.20 2gbs n HIS 141 N -5.11 0.00 -2.62 5.26 -0.00 -1.26 -5.15 115.22 106.33 2gbs n HIS 141 Ca -0.09 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.22 2gbs n HIS 141 Cb 0.26 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.20 2gbs n HIS 141 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2gbs s HIS 142 N 0.00 3.77 0.29 1.57 -3.43 -1.26 -5.01 115.29 111.22 2gbs s HIS 142 Ca 0.00 1.77 -0.28 0.00 -0.80 0.00 0.00 55.06 55.75 2gbs s HIS 142 Cb 0.00 -3.14 -0.09 0.00 -1.43 0.00 0.00 32.58 27.92 2gbs s HIS 142 CO 0.00 -0.08 0.95 -1.58 -2.00 0.00 0.00 174.74 172.02 2gbs s HIS 143 N -0.74 3.82 -0.70 0.38 2.46 -1.26 -5.02 115.29 114.24 2gbs s HIS 143 Ca 0.45 1.84 -0.13 0.00 0.47 0.00 0.00 55.06 57.69 2gbs s HIS 143 Cb -0.28 -2.96 0.18 0.00 -0.13 0.00 0.00 32.58 29.40 2gbs s HIS 143 CO 0.34 0.30 0.63 -1.01 -2.47 0.00 0.00 174.74 172.53 2gbs s HIS 144 N -1.42 3.57 0.00 3.88 0.09 -1.26 -5.26 115.29 114.90 2gbs s HIS 144 Ca 0.46 -1.89 0.00 0.00 -0.00 0.00 0.00 55.06 53.63 2gbs s HIS 144 Cb -0.22 -3.72 0.00 0.00 -0.00 0.00 0.00 32.58 28.64 2gbs s HIS 144 CO 0.28 -0.98 0.00 1.58 -0.00 0.00 0.00 174.74 175.62