#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gex h THR 3 N 0.00 0.85 -0.58 2.46 2.02 -1.98 -2.51 112.91 113.17 2gex h THR 3 Ca 0.00 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.28 2gex h THR 3 Cb 0.00 0.85 -0.08 0.00 -1.74 0.00 0.00 68.15 67.18 2gex h THR 3 CO 0.00 0.00 0.13 0.74 0.37 0.00 0.00 175.52 176.76 2gex h THR 4 N -0.14 0.67 -0.57 3.16 2.02 -1.98 -1.70 112.91 114.37 2gex h THR 4 Ca 0.01 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 2gex h THR 4 Cb 0.14 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.91 2gex h THR 4 CO -0.02 0.05 0.03 0.00 0.37 0.00 0.00 175.52 175.95 2gex h ALA 5 N 1.45 0.76 -0.46 6.16 0.00 -1.99 -1.48 119.26 123.71 2gex h ALA 5 Ca 0.30 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.94 2gex h ALA 5 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2gex h ALA 5 CO -0.38 0.56 0.28 -0.91 0.00 0.00 0.00 179.25 178.80 2gex h ASN 6 N 0.87 0.45 -0.70 0.00 2.35 -0.93 0.15 115.58 117.77 2gex h ASN 6 Ca 0.16 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.95 2gex h ASN 6 Cb 0.50 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.73 2gex h ASN 6 CO 0.02 0.32 0.43 0.11 -1.65 0.00 0.00 177.43 176.66 2gex h LYS 7 N 0.56 0.80 -0.09 0.81 1.57 -1.21 -0.72 116.57 118.29 2gex h LYS 7 Ca 0.18 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.82 2gex h LYS 7 Cb 0.00 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2gex h LYS 7 CO -0.08 0.53 -0.39 1.49 -0.57 0.00 0.00 179.45 180.43 2gex h GLU 8 N 0.83 0.18 -0.52 3.15 4.57 -0.77 -1.69 114.58 120.33 2gex h GLU 8 Ca 0.29 -0.08 -0.10 0.00 -1.18 0.00 0.00 59.36 58.29 2gex h GLU 8 Cb 0.06 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 2gex h GLU 8 CO -0.13 0.55 -0.07 0.00 -1.18 0.00 0.00 179.01 178.19 2gex h ARG 9 N 0.15 0.93 -0.81 1.92 2.47 0.27 -2.43 114.38 116.88 2gex h ARG 9 Ca 0.02 -0.31 -0.02 0.00 -1.26 0.00 0.00 59.98 58.41 2gex h ARG 9 Cb 0.76 -0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.96 2gex h ARG 9 CO 0.06 0.96 0.43 0.00 0.56 0.00 0.00 179.97 181.98 2gex h LEU 11 N 1.14 0.24 -1.96 0.00 3.38 -1.10 -2.19 115.31 114.80 2gex h LEU 11 Ca 0.28 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2gex h LEU 11 Cb 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.73 2gex h LEU 11 CO -0.04 0.52 0.00 -0.62 0.09 0.00 0.00 178.44 178.39 2gex n GLU 12 N -4.13 0.48 0.00 1.13 1.02 -0.85 -1.39 120.64 116.90 2gex n GLU 12 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 2gex n GLU 12 Cb 0.39 -1.26 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 2gex n GLU 12 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2gex n VAL 14 N 0.74 0.00 -0.21 2.62 0.31 -0.83 -1.18 118.33 119.79 2gex n VAL 14 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2gex n VAL 14 Cb 0.24 0.00 0.31 0.00 -0.91 0.00 0.00 33.84 33.47 2gex n VAL 14 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gex h ALA 15 N 0.00 1.61 -0.47 3.52 0.00 -1.51 0.38 119.26 122.80 2gex h ALA 15 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2gex h ALA 15 Cb 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2gex h ALA 15 CO 0.00 0.29 0.08 0.00 0.00 0.00 0.00 179.25 179.62 2gex h ALA 16 N 1.57 0.62 -0.77 0.00 0.00 -1.41 -0.57 119.26 118.70 2gex h ALA 16 Ca 0.32 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2gex h ALA 16 Cb 0.16 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.70 2gex h ALA 16 CO -0.10 0.34 0.43 -1.49 0.00 0.00 0.00 179.25 178.43 2gex h TRP 17 N 0.64 0.79 0.00 0.00 4.06 -1.63 -1.12 115.95 118.69 2gex h TRP 17 Ca 0.14 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.12 2gex h TRP 17 Cb 0.38 -0.24 0.00 0.00 -1.00 0.00 0.00 29.16 28.30 2gex h TRP 17 CO 0.03 0.34 0.00 0.09 -3.56 0.00 0.00 178.44 175.33 2gex n ASN 18 N -4.76 0.49 -0.56 -3.49 3.02 0.06 -1.07 115.26 108.95 2gex n ASN 18 Ca 0.12 0.59 0.12 0.00 -0.03 0.00 0.00 54.58 55.38 2gex n ASN 18 Cb 0.24 -0.70 0.42 0.00 -0.61 0.00 0.00 39.78 39.14 2gex n ASN 18 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2gex n ARG 19 N -2.00 1.75 -2.72 3.52 1.74 -0.28 -4.93 116.66 113.75 2gex n ARG 19 Ca 0.04 -1.12 -0.21 0.00 -0.77 0.00 0.00 57.85 55.79 2gex n ARG 19 Cb 0.29 -1.44 0.01 0.00 -1.02 0.00 0.00 32.46 30.31 2gex n ARG 19 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 2gex n TRP 20 N 0.34 -1.48 -3.76 -1.55 8.01 -0.23 -4.96 117.44 113.80 2gex n TRP 20 Ca 0.17 0.28 -0.34 0.00 -1.31 0.00 0.00 57.50 56.30 2gex n TRP 20 Cb 0.36 -4.18 -0.10 0.00 -2.01 0.00 0.00 31.31 25.38 2gex n TRP 20 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 2gex s ASP 21 N -2.43 5.18 0.32 -0.99 2.15 -0.50 -4.96 116.67 115.43 2gex s ASP 21 Ca 0.16 -3.20 0.00 0.00 0.43 0.00 0.00 52.55 49.94 2gex s ASP 21 Cb -0.07 -1.80 0.53 0.00 -0.30 0.00 0.00 42.92 41.28 2gex s ASP 21 CO 0.20 -0.27 1.96 0.58 -0.17 0.00 0.00 175.17 177.47 2gex h VAL 22 N 4.94 1.15 0.00 1.11 2.07 -1.93 -1.53 116.25 122.07 2gex h VAL 22 Ca 0.03 -0.35 -0.05 0.00 0.82 0.00 0.00 66.70 67.15 2gex h VAL 22 Cb 0.89 0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 2gex h VAL 22 CO 0.74 0.19 -0.25 0.77 0.02 0.00 0.00 177.57 179.04 2gex h SER 23 N 1.02 0.00 0.02 0.57 4.64 -1.95 -1.49 113.55 116.35 2gex h SER 23 Ca 0.31 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 2gex h SER 23 Cb -0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.06 2gex h SER 23 CO -0.08 0.25 -0.06 1.23 -0.87 0.00 0.00 176.83 177.30 2gex h GLY 24 N 1.82 0.12 0.11 -0.77 0.00 -1.64 -0.56 103.07 102.15 2gex h GLY 24 Ca -0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 2gex h GLY 24 CO 0.03 0.06 -0.01 -2.08 0.00 0.00 0.00 176.54 174.54 2gex h VAL 25 N 0.11 1.45 -0.54 4.60 2.07 -1.33 -3.33 116.25 119.28 2gex h VAL 25 Ca 0.03 -1.91 0.08 0.00 0.82 0.00 0.00 66.70 65.72 2gex h VAL 25 Cb 0.18 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 32.57 2gex h VAL 25 CO 0.01 0.46 0.36 0.58 0.02 0.00 0.00 177.57 179.00 2gex h VAL 26 N -0.91 0.93 -0.49 2.57 2.07 -1.18 -1.04 116.25 118.21 2gex h VAL 26 Ca -0.00 -0.14 0.14 0.00 0.82 0.00 0.00 66.70 67.52 2gex h VAL 26 Cb 0.77 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2gex h VAL 26 CO 0.00 0.07 0.49 0.00 0.02 0.00 0.00 177.57 178.16 2gex h ALA 27 N 1.72 2.25 -0.00 1.67 0.00 -1.21 0.17 119.26 123.85 2gex h ALA 27 Ca 0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2gex h ALA 27 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2gex h ALA 27 CO -0.06 -0.74 -0.05 0.72 0.00 0.00 0.00 179.25 179.11 2gex n HIS 28 N -3.80 0.00 -2.56 0.00 8.25 -0.39 -4.89 115.22 111.83 2gex n HIS 28 Ca 0.09 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.19 2gex n HIS 28 Cb 0.69 -0.41 -0.04 0.00 1.12 0.00 0.00 29.99 31.34 2gex n HIS 28 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2gex s TRP 29 N -2.88 3.27 0.53 4.41 0.51 0.58 -1.65 118.94 123.72 2gex s TRP 29 Ca 0.18 1.64 -0.17 0.00 -2.12 0.00 0.00 56.10 55.64 2gex s TRP 29 Cb 0.19 -3.10 -0.07 0.00 -0.81 0.00 0.00 33.47 29.68 2gex s TRP 29 CO 0.53 -0.59 1.01 0.00 -0.51 0.00 0.00 176.95 177.39 2gex s ALA 30 N -1.70 2.96 0.37 0.98 0.00 0.37 -4.76 121.76 119.98 2gex s ALA 30 Ca 0.58 0.27 0.19 0.00 0.00 0.00 0.00 51.96 53.00 2gex s ALA 30 Cb -0.21 -3.16 1.19 0.00 0.00 0.00 0.00 23.12 20.94 2gex s ALA 30 CO 0.26 -0.40 1.66 -1.35 0.00 0.00 0.00 175.76 175.93 2gex h PRO 31 N 0.83 0.24 -0.49 0.00 0.11 -1.96 -2.47 132.00 128.26 2gex h PRO 31 Ca -0.47 -0.01 -0.29 0.00 0.11 0.00 0.00 66.00 65.34 2gex h PRO 31 Cb 1.20 -0.05 -0.18 0.00 0.11 0.00 0.00 31.00 32.07 2gex h PRO 31 CO 0.60 0.16 -0.08 -0.40 -0.21 0.00 0.00 178.00 178.07 2gex n ASP 32 N -4.96 3.29 -4.46 -2.05 5.68 -1.26 -5.04 116.55 107.74 2gex n ASP 32 Ca 0.33 -3.79 -0.45 0.00 -0.50 0.00 0.00 54.79 50.38 2gex n ASP 32 Cb 1.10 -0.64 -0.02 0.00 -1.14 0.00 0.00 41.12 40.42 2gex n ASP 32 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2gex n VAL 33 N -1.05 1.88 -4.80 2.12 0.24 -0.93 -4.98 118.33 110.80 2gex n VAL 33 Ca 0.39 -0.50 -0.33 0.00 -2.04 0.00 0.00 64.34 61.86 2gex n VAL 33 Cb 1.02 -0.41 -0.15 0.00 -1.47 0.00 0.00 33.84 32.84 2gex n VAL 33 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2gex s VAL 34 N -1.13 2.97 -0.21 3.34 1.01 -0.60 -4.98 120.40 120.79 2gex s VAL 34 Ca 0.62 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 2gex s VAL 34 Cb -0.79 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.33 2gex s VAL 34 CO 0.58 0.53 -0.00 -1.00 0.00 0.00 0.00 175.10 175.20 2gex s HIS 35 N 0.36 3.02 -0.01 5.22 3.76 -1.26 -1.76 115.29 124.61 2gex s HIS 35 Ca -0.11 -0.59 0.01 0.00 -0.15 0.00 0.00 55.06 54.22 2gex s HIS 35 Cb -0.16 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 2gex s HIS 35 CO 0.06 -0.34 0.01 0.71 -0.85 0.00 0.00 174.74 174.33 2gex s TYR 36 N 1.21 3.11 0.00 1.40 2.02 0.06 -0.19 117.35 124.96 2gex s TYR 36 Ca 0.03 0.11 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 2gex s TYR 36 Cb -0.15 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.72 2gex s TYR 36 CO 0.01 0.47 0.00 -0.40 -1.57 0.00 0.00 175.55 174.06 2gex n ASP 37 N 1.48 0.00 0.16 2.29 5.68 -1.00 -0.72 116.55 124.44 2gex n ASP 37 Ca -0.15 -0.74 0.03 0.00 -0.50 0.00 0.00 54.79 53.44 2gex n ASP 37 Cb 0.53 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.94 2gex n ASP 37 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 2gex h ASP 38 N 0.00 0.13 -0.33 -1.12 3.04 -1.91 -2.51 116.42 113.72 2gex h ASP 38 Ca 0.00 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.76 2gex h ASP 38 Cb 0.00 -0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.25 2gex h ASP 38 CO 0.00 0.31 0.00 -0.62 -2.04 0.00 0.00 179.24 176.89 2gex n GLU 39 N -4.29 2.66 -1.48 4.15 1.02 -1.26 -4.90 120.64 116.54 2gex n GLU 39 Ca -0.01 -1.57 -0.16 0.00 -0.02 0.00 0.00 57.16 55.39 2gex n GLU 39 Cb 0.26 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 2gex n GLU 39 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2gex n ASP 40 N 0.44 -5.13 -4.67 1.62 9.92 -0.94 -4.99 116.55 112.80 2gex n ASP 40 Ca 0.14 0.41 -0.41 0.00 -0.53 0.00 0.00 54.79 54.40 2gex n ASP 40 Cb 0.60 -4.08 -0.05 0.00 -0.64 0.00 0.00 41.12 36.96 2gex n ASP 40 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2gex s LYS 41 N -3.38 4.27 0.50 -1.24 -0.14 -1.26 -4.82 119.74 113.67 2gex s LYS 41 Ca 0.00 0.84 -0.23 0.00 -1.36 0.00 0.00 55.97 55.22 2gex s LYS 41 Cb 0.00 -3.57 -0.07 0.00 -1.68 0.00 0.00 37.83 32.51 2gex s LYS 41 CO 0.00 -0.27 1.27 -0.35 -0.76 0.00 0.00 175.35 175.24 2gex n PRO 42 N 5.08 1.70 -4.36 -1.68 -0.04 -1.26 -2.37 135.00 132.07 2gex n PRO 42 Ca 0.02 0.62 -0.27 0.00 -0.04 0.00 0.00 63.50 63.83 2gex n PRO 42 Cb 0.49 -2.45 -0.13 0.00 -0.04 0.00 0.00 33.50 31.38 2gex n PRO 42 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gex s VAL 43 N -1.28 2.08 0.26 0.52 1.01 0.74 -4.89 120.40 118.83 2gex s VAL 43 Ca 0.68 -1.73 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 2gex s VAL 43 Cb -0.45 -1.87 -0.09 0.00 0.00 0.00 0.00 36.38 33.97 2gex s VAL 43 CO 0.53 -0.00 1.05 -0.94 0.00 0.00 0.00 175.10 175.73 2gex s SER 44 N -2.11 7.40 0.36 3.32 1.04 -1.26 -4.22 113.70 118.23 2gex s SER 44 Ca 0.12 2.15 0.19 0.00 0.48 0.00 0.00 55.95 58.90 2gex s SER 44 Cb -0.10 -2.62 1.28 0.00 0.10 0.00 0.00 66.02 64.69 2gex s SER 44 CO 0.06 -0.04 1.60 0.00 0.98 0.00 0.00 173.24 175.84 2gex h ALA 45 N 3.99 2.12 -0.49 5.32 0.00 -1.96 -1.30 119.26 126.94 2gex h ALA 45 Ca -0.46 0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.65 2gex h ALA 45 Cb 1.21 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.26 2gex h ALA 45 CO 0.67 -0.86 0.10 0.93 0.00 0.00 0.00 179.25 180.10 2gex h GLU 46 N 0.08 0.80 -0.60 0.00 3.07 -1.99 -1.25 114.58 114.68 2gex h GLU 46 Ca 0.82 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 59.42 2gex h GLU 46 Cb 2.11 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 29.89 2gex h GLU 46 CO -0.73 0.78 0.13 1.49 -1.40 0.00 0.00 179.01 179.29 2gex h GLU 47 N 0.68 0.95 -0.32 2.33 4.81 -1.64 -0.48 114.58 120.90 2gex h GLU 47 Ca 0.15 -0.22 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 2gex h GLU 47 Cb 0.36 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 2gex h GLU 47 CO 0.00 0.86 0.05 0.28 -0.73 0.00 0.00 179.01 179.47 2gex h VAL 48 N 0.91 1.23 -0.43 0.32 2.07 -1.21 -2.62 116.25 116.53 2gex h VAL 48 Ca 0.19 -0.82 -0.14 0.00 0.82 0.00 0.00 66.70 66.76 2gex h VAL 48 Cb 0.35 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2gex h VAL 48 CO 0.00 0.27 -0.27 0.58 0.02 0.00 0.00 177.57 178.17 2gex h VAL 49 N 0.36 1.27 -0.64 2.57 2.07 -1.10 -2.63 116.25 118.14 2gex h VAL 49 Ca 0.10 -1.43 0.10 0.00 0.82 0.00 0.00 66.70 66.29 2gex h VAL 49 Cb 0.35 1.26 -0.08 0.00 -1.52 0.00 0.00 31.29 31.30 2gex h VAL 49 CO 0.01 0.49 0.24 0.03 0.02 0.00 0.00 177.57 178.35 2gex h ARG 50 N 0.77 0.40 -1.34 1.57 3.08 -1.08 0.44 114.38 118.21 2gex h ARG 50 Ca 0.09 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2gex h ARG 50 Cb 0.85 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.81 2gex h ARG 50 CO 0.08 0.27 0.00 -2.13 -1.07 0.00 0.00 179.97 177.11 2gex n ARG 51 N -5.00 0.68 0.00 0.04 3.00 -0.99 -1.60 116.66 112.79 2gex n ARG 51 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 2gex n ARG 51 Cb 0.30 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.60 2gex n ARG 51 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2gex n ASN 53 N 0.69 0.00 -0.11 6.15 3.02 0.14 -1.93 115.26 123.22 2gex n ASN 53 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 2gex n ASN 53 Cb 0.34 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.49 2gex n ASN 53 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2gex h SER 54 N 0.00 0.46 -0.12 6.41 0.02 -1.55 -1.41 113.55 117.37 2gex h SER 54 Ca 0.00 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2gex h SER 54 Cb 0.00 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 2gex h SER 54 CO 0.00 0.50 0.02 0.00 -1.14 0.00 0.00 176.83 176.21 2gex h ALA 55 N 0.98 0.11 -0.79 3.77 0.00 -1.67 0.29 119.26 121.95 2gex h ALA 55 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2gex h ALA 55 Cb 0.19 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2gex h ALA 55 CO -0.01 -0.43 0.50 0.28 0.00 0.00 0.00 179.25 179.59 2gex h VAL 56 N 0.07 1.21 -0.03 0.00 2.07 -1.81 0.39 116.25 118.15 2gex h VAL 56 Ca 0.05 -0.42 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 2gex h VAL 56 Cb 0.04 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2gex h VAL 56 CO -0.07 0.21 -0.03 -0.08 0.02 0.00 0.00 177.57 177.63 2gex h GLU 57 N 1.08 0.07 -0.04 1.57 4.81 -0.72 -3.27 114.58 118.09 2gex h GLU 57 Ca 0.29 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.36 2gex h GLU 57 Cb -0.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2gex h GLU 57 CO -0.06 0.53 -0.53 0.00 -0.73 0.00 0.00 179.01 178.22 2gex h ALA 58 N 0.55 1.05 -2.25 2.92 0.00 -0.27 -3.36 119.26 117.89 2gex h ALA 58 Ca 0.01 -0.49 -0.60 0.00 0.00 0.00 0.00 54.91 53.83 2gex h ALA 58 Cb 0.51 -0.09 -0.42 0.00 0.00 0.00 0.00 17.79 17.80 2gex h ALA 58 CO 0.01 0.67 -0.64 1.19 0.00 0.00 0.00 179.25 180.48 2gex n PHE 59 N -3.92 3.21 0.31 0.00 3.72 0.11 -1.28 117.46 119.62 2gex n PHE 59 Ca -0.02 -4.11 0.15 0.00 -0.05 0.00 0.00 57.45 53.43 2gex n PHE 59 Cb 0.55 -0.54 0.68 0.00 -0.94 0.00 0.00 39.48 39.23 2gex n PHE 59 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2gex h PRO 60 N 4.27 0.00 -0.60 -1.08 0.13 -1.70 -1.71 132.00 131.32 2gex h PRO 60 Ca 0.18 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 65.03 2gex h PRO 60 Cb 0.69 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.65 2gex h PRO 60 CO 0.79 0.00 0.20 -0.40 -0.23 0.00 0.00 178.00 178.36 2gex n ASP 61 N -2.66 3.21 -4.75 1.44 5.75 -1.26 -5.03 116.55 113.25 2gex n ASP 61 Ca 0.00 -3.62 -0.42 0.00 -0.01 0.00 0.00 54.79 50.75 2gex n ASP 61 Cb 0.21 -0.71 -0.01 0.00 -1.03 0.00 0.00 41.12 39.58 2gex n ASP 61 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2gex n LEU 62 N -1.00 4.41 -3.76 -2.12 7.94 -0.64 -4.60 117.00 117.22 2gex n LEU 62 Ca 0.42 1.17 -0.23 0.00 -1.11 0.00 0.00 56.01 56.26 2gex n LEU 62 Cb 1.27 -1.59 -0.18 0.00 0.53 0.00 0.00 43.42 43.45 2gex n LEU 62 CO 0.35 0.12 -0.38 -0.60 -1.11 0.00 0.00 177.39 175.77 2gex s ARG 63 N -0.96 0.51 -0.13 1.96 3.52 -0.43 -4.81 118.95 118.60 2gex s ARG 63 Ca 0.61 0.14 -0.11 0.00 -0.13 0.00 0.00 55.73 56.25 2gex s ARG 63 Cb -0.50 -0.92 -0.05 0.00 -1.56 0.00 0.00 34.95 31.92 2gex s ARG 63 CO 0.53 -0.31 0.21 -0.51 -0.81 0.00 0.00 175.30 174.41 2gex s LEU 64 N 2.00 4.32 -0.17 -0.88 1.43 -1.26 -1.86 118.68 122.26 2gex s LEU 64 Ca 0.05 0.49 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 2gex s LEU 64 Cb -0.12 -2.23 0.03 0.00 0.03 0.00 0.00 46.19 43.90 2gex s LEU 64 CO -0.05 0.26 -0.13 -0.62 0.23 0.00 0.00 176.35 176.04 2gex s ASP 65 N -0.28 3.02 -0.22 2.29 2.15 -0.12 -4.99 116.67 118.52 2gex s ASP 65 Ca 0.15 -0.67 -0.29 0.00 0.43 0.00 0.00 52.55 52.16 2gex s ASP 65 Cb -0.13 -1.21 -0.01 0.00 -0.30 0.00 0.00 42.92 41.27 2gex s ASP 65 CO 0.04 -0.10 1.27 -0.69 -0.17 0.00 0.00 175.17 175.52 2gex s VAL 66 N 1.44 4.24 -0.11 1.11 1.01 -1.26 -1.63 120.40 125.19 2gex s VAL 66 Ca 0.02 1.46 0.06 0.00 0.00 0.00 0.00 61.98 63.53 2gex s VAL 66 Cb -0.14 -4.06 -0.24 0.00 0.00 0.00 0.00 36.38 31.94 2gex s VAL 66 CO -0.10 -0.26 0.40 0.54 0.00 0.00 0.00 175.10 175.68 2gex n ARG 67 N 6.86 0.68 -3.68 2.72 5.12 0.74 -4.99 116.66 124.12 2gex n ARG 67 Ca 0.14 0.23 -0.05 0.00 -1.93 0.00 0.00 57.85 56.24 2gex n ARG 67 Cb 0.45 -1.70 -0.02 0.00 -1.16 0.00 0.00 32.46 30.04 2gex n ARG 67 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2gex s SER 68 N -6.36 -0.23 -0.11 0.55 1.04 -1.21 -5.00 113.70 102.38 2gex s SER 68 Ca -0.14 -0.28 -0.09 0.00 0.48 0.00 0.00 55.95 55.92 2gex s SER 68 Cb 0.07 0.45 0.03 0.00 0.10 0.00 0.00 66.02 66.68 2gex s SER 68 CO 0.79 -0.81 0.29 -0.51 0.98 0.00 0.00 173.24 173.98 2gex s ILE 69 N -3.23 -0.01 -0.01 -1.02 2.07 -1.26 -1.19 121.20 116.55 2gex s ILE 69 Ca 0.10 0.03 0.03 0.00 -1.41 0.00 0.00 60.65 59.40 2gex s ILE 69 Cb -0.01 -0.42 -0.01 0.00 0.13 0.00 0.00 42.46 42.15 2gex s ILE 69 CO -0.01 0.01 -0.09 0.68 -1.91 0.00 0.00 174.94 173.62 2gex s VAL 70 N 0.45 0.71 -0.01 4.00 -7.23 -1.26 -5.02 120.40 112.04 2gex s VAL 70 Ca -0.02 -0.38 0.07 0.00 -1.81 0.00 0.00 61.98 59.84 2gex s VAL 70 Cb -0.04 -0.60 -0.02 0.00 0.56 0.00 0.00 36.38 36.28 2gex s VAL 70 CO -0.02 0.20 -0.23 -0.83 -0.31 0.00 0.00 175.10 173.91 2gex s GLY 71 N -0.17 1.16 -0.16 2.32 0.00 -1.26 -4.32 107.32 104.89 2gex s GLY 71 Ca 0.03 -1.04 -0.07 0.00 0.00 0.00 0.00 44.72 43.64 2gex s GLY 71 CO -0.00 -0.88 0.37 1.85 0.00 0.00 0.00 173.10 174.43 2gex s GLU 72 N -0.68 0.31 5.35 2.90 2.12 -0.01 -5.01 118.70 123.69 2gex s GLU 72 Ca 0.09 0.81 0.00 0.00 0.36 0.00 0.00 54.97 56.23 2gex s GLU 72 Cb -0.09 0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.36 2gex s GLU 72 CO -0.00 -0.20 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 2gex n GLY 73 N 4.71 2.80 0.91 -1.50 0.00 -1.26 -0.45 105.19 110.40 2gex n GLY 73 Ca -0.17 0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.26 2gex n GLY 73 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2gex n ASP 74 N 8.44 2.98 -4.83 1.61 5.68 -1.26 -4.49 116.55 124.68 2gex n ASP 74 Ca 0.00 -1.88 -0.33 0.00 -0.50 0.00 0.00 54.79 52.08 2gex n ASP 74 Cb 0.00 -0.14 -0.06 0.00 -1.14 0.00 0.00 41.12 39.78 2gex n ASP 74 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2gex s ARG 75 N -1.43 3.18 0.00 0.11 0.52 0.40 -0.54 118.95 121.19 2gex s ARG 75 Ca 0.29 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 55.04 2gex s ARG 75 Cb 0.18 -2.93 0.00 0.00 0.52 0.00 0.00 34.95 32.72 2gex s ARG 75 CO 0.26 0.64 0.00 0.28 0.02 0.00 0.00 175.30 176.50 2gex n VAL 76 N 0.94 0.00 -3.64 3.52 0.31 -0.34 -0.82 118.33 118.31 2gex n VAL 76 Ca -0.11 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.16 2gex n VAL 76 Cb 0.52 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.39 2gex n VAL 76 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2gex s LEU 78 N 0.00 -0.23 -0.40 7.52 1.02 0.02 -1.24 118.68 125.37 2gex s LEU 78 Ca 0.00 0.42 -0.16 0.00 0.02 0.00 0.00 54.13 54.40 2gex s LEU 78 Cb 0.00 1.47 0.01 0.00 0.02 0.00 0.00 46.19 47.70 2gex s LEU 78 CO 0.00 -0.10 0.39 -0.60 0.02 0.00 0.00 176.35 176.06 2gex s ARG 79 N -0.11 3.16 -0.07 1.70 3.52 -0.33 -0.42 118.95 126.39 2gex s ARG 79 Ca 0.05 -0.75 0.04 0.00 -0.13 0.00 0.00 55.73 54.94 2gex s ARG 79 Cb -0.04 -3.94 -0.02 0.00 -1.56 0.00 0.00 34.95 29.40 2gex s ARG 79 CO -0.10 -0.76 -0.19 0.42 -0.81 0.00 0.00 175.30 173.86 2gex s ILE 80 N 2.01 2.59 -0.17 4.11 1.01 0.18 -0.19 121.20 130.74 2gex s ILE 80 Ca 0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 60.65 59.84 2gex s ILE 80 Cb -0.17 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 2gex s ILE 80 CO 0.12 0.57 -0.02 -0.89 0.00 0.00 0.00 174.94 174.72 2gex s THR 81 N -0.21 3.93 -0.03 2.92 2.01 -0.65 -0.82 115.64 122.79 2gex s THR 81 Ca -0.01 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.66 2gex s THR 81 Cb -0.13 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.60 2gex s THR 81 CO 0.03 0.47 -0.02 0.00 -0.69 0.00 0.00 174.62 174.41 2gex s SER 83 N -1.26 0.07 0.14 0.00 1.04 -0.78 -1.96 113.70 110.94 2gex s SER 83 Ca 0.17 -0.20 -0.25 0.00 0.48 0.00 0.00 55.95 56.15 2gex s SER 83 Cb -0.11 0.16 0.07 0.00 0.10 0.00 0.00 66.02 66.24 2gex s SER 83 CO 0.07 -0.24 1.02 0.00 0.98 0.00 0.00 173.24 175.07 2gex s ALA 84 N -0.98 -1.73 -0.07 5.32 0.00 -0.84 -1.32 121.76 122.14 2gex s ALA 84 Ca -0.11 0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.97 2gex s ALA 84 Cb -0.06 0.62 -0.03 0.00 0.00 0.00 0.00 23.12 23.65 2gex s ALA 84 CO 0.00 -1.05 -0.06 0.95 0.00 0.00 0.00 175.76 175.61 2gex s THR 85 N -2.95 3.82 -0.80 0.00 -4.23 -1.26 0.07 115.64 110.29 2gex s THR 85 Ca 0.14 -0.43 -0.26 0.00 -1.18 0.00 0.00 61.69 59.96 2gex s THR 85 Cb -0.01 -2.57 0.04 0.00 1.34 0.00 0.00 72.50 71.30 2gex s THR 85 CO 0.02 0.60 1.29 -2.28 -0.54 0.00 0.00 174.62 173.71 2gex s HIS 86 N -0.81 2.38 -0.20 3.99 2.46 -0.15 -4.43 115.29 118.52 2gex s HIS 86 Ca 0.12 -0.29 0.07 0.00 0.47 0.00 0.00 55.06 55.43 2gex s HIS 86 Cb -0.11 -4.62 -0.17 0.00 -0.13 0.00 0.00 32.58 27.55 2gex s HIS 86 CO 0.02 -2.01 -0.10 1.04 -2.47 0.00 0.00 174.74 171.22 2gex n GLN 87 N 9.10 0.78 -3.99 2.88 1.13 -0.48 -0.51 117.38 126.30 2gex n GLN 87 Ca 0.10 0.08 -0.22 0.00 -1.94 0.00 0.00 57.00 55.01 2gex n GLN 87 Cb 0.49 -1.45 -0.05 0.00 0.11 0.00 0.00 30.24 29.34 2gex n GLN 87 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2gex s GLY 88 N -5.78 1.86 0.22 1.08 0.00 -0.40 -4.69 107.32 99.60 2gex s GLY 88 Ca -0.22 -1.75 -0.31 0.00 0.00 0.00 0.00 44.72 42.44 2gex s GLY 88 CO 0.60 -1.68 1.60 0.14 0.00 0.00 0.00 173.10 173.76 2gex s VAL 89 N -2.37 2.34 -0.28 1.40 1.01 -1.26 -4.03 120.40 117.21 2gex s VAL 89 Ca 0.39 0.26 0.10 0.00 0.00 0.00 0.00 61.98 62.73 2gex s VAL 89 Cb -0.04 -3.16 0.47 0.00 0.00 0.00 0.00 36.38 33.64 2gex s VAL 89 CO 0.24 0.03 1.18 0.33 0.00 0.00 0.00 175.10 176.88 2gex n PHE 90 N 3.36 2.27 0.00 5.22 7.35 -1.26 -4.67 117.46 129.74 2gex n PHE 90 Ca 0.12 -2.14 0.00 0.00 -0.76 0.00 0.00 57.45 54.67 2gex n PHE 90 Cb 0.38 -0.31 0.00 0.00 0.35 0.00 0.00 39.48 39.89 2gex n PHE 90 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2gex n GLY 92 N -0.70 0.00 3.42 7.13 0.00 -1.26 -4.74 105.19 109.05 2gex n GLY 92 Ca 0.35 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 2gex n GLY 92 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gex s ILE 93 N 0.00 4.96 0.46 -0.61 1.01 -1.26 -5.06 121.20 120.70 2gex s ILE 93 Ca 0.00 -0.75 -0.24 0.00 0.00 0.00 0.00 60.65 59.66 2gex s ILE 93 Cb 0.00 -3.77 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 2gex s ILE 93 CO 0.00 -0.28 1.33 0.00 0.00 0.00 0.00 174.94 176.00 2gex n ALA 94 N 5.09 1.58 -1.69 9.38 0.00 -1.26 -4.28 120.51 129.33 2gex n ALA 94 Ca -0.11 0.22 -0.35 0.00 0.00 0.00 0.00 53.44 53.20 2gex n ALA 94 Cb 0.47 -2.32 0.03 0.00 0.00 0.00 0.00 19.45 17.62 2gex n ALA 94 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2gex s PRO 95 N -2.44 3.05 -0.00 0.00 0.04 -1.26 -4.88 135.00 129.50 2gex s PRO 95 Ca 0.64 1.64 0.06 0.00 0.04 0.00 0.00 61.00 63.38 2gex s PRO 95 Cb -0.47 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.04 2gex s PRO 95 CO 0.56 -1.10 0.21 0.25 0.04 0.00 0.00 177.00 176.95 2gex n THR 96 N -1.70 0.00 -0.88 1.26 -2.24 -1.14 -4.99 114.28 104.58 2gex n THR 96 Ca 0.12 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2gex n THR 96 Cb 0.51 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 2gex n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gex n GLY 97 N 1.50 0.40 3.84 3.38 0.00 0.34 -5.00 105.19 109.65 2gex n GLY 97 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2gex n GLY 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gex s ARG 98 N -0.71 4.02 0.07 1.61 0.52 -1.26 -4.59 118.95 118.62 2gex s ARG 98 Ca 0.00 0.90 -0.31 0.00 -0.52 0.00 0.00 55.73 55.80 2gex s ARG 98 Cb 0.00 -2.22 -0.09 0.00 0.52 0.00 0.00 34.95 33.16 2gex s ARG 98 CO 0.00 -0.11 1.75 0.15 0.02 0.00 0.00 175.30 177.11 2gex s LYS 99 N -3.64 4.17 0.21 3.54 1.02 -1.26 -0.98 119.74 122.81 2gex s LYS 99 Ca 0.58 2.44 0.10 0.00 0.02 0.00 0.00 55.97 59.11 2gex s LYS 99 Cb -0.10 -3.70 -0.05 0.00 -0.52 0.00 0.00 37.83 33.46 2gex s LYS 99 CO 0.24 -0.81 -0.19 0.14 -0.92 0.00 0.00 175.35 173.81 2gex s VAL 100 N 3.03 2.12 -0.14 3.17 -7.23 0.11 -4.96 120.40 116.51 2gex s VAL 100 Ca 0.78 -2.15 -0.08 0.00 -1.81 0.00 0.00 61.98 58.73 2gex s VAL 100 Cb -0.42 -2.08 0.05 0.00 0.56 0.00 0.00 36.38 34.49 2gex s VAL 100 CO 0.34 -0.35 0.33 -0.60 -0.31 0.00 0.00 175.10 174.51 2gex s ARG 101 N -3.14 0.30 0.09 4.82 3.52 -1.26 -1.98 118.95 121.31 2gex s ARG 101 Ca 0.22 0.64 -0.13 0.00 -0.13 0.00 0.00 55.73 56.33 2gex s ARG 101 Cb -0.05 -0.05 0.02 0.00 -1.56 0.00 0.00 34.95 33.30 2gex s ARG 101 CO 0.10 -0.15 0.31 1.67 -0.81 0.00 0.00 175.30 176.41 2gex s TRP 102 N 1.24 -0.06 0.08 5.12 -2.14 -0.83 -4.97 118.94 117.38 2gex s TRP 102 Ca -0.09 -0.25 0.08 0.00 2.66 0.00 0.00 56.10 58.50 2gex s TRP 102 Cb -0.09 0.11 -0.03 0.00 -3.10 0.00 0.00 33.47 30.36 2gex s TRP 102 CO -0.10 -0.60 -0.21 0.99 -2.66 0.00 0.00 176.95 174.37 2gex s THR 103 N -3.53 1.70 0.23 0.66 2.01 -1.26 0.17 115.64 115.62 2gex s THR 103 Ca 0.02 -1.39 -0.17 0.00 0.31 0.00 0.00 61.69 60.45 2gex s THR 103 Cb 0.02 -1.51 0.02 0.00 0.01 0.00 0.00 72.50 71.04 2gex s THR 103 CO -0.10 0.06 0.56 -0.72 -0.69 0.00 0.00 174.62 173.73 2gex s TYR 104 N -1.00 -0.02 -0.22 4.92 1.13 0.00 -5.00 117.35 117.16 2gex s TYR 104 Ca 0.07 -0.36 0.00 0.00 -1.41 0.00 0.00 57.07 55.37 2gex s TYR 104 Cb -0.09 0.42 0.03 0.00 -1.10 0.00 0.00 41.96 41.22 2gex s TYR 104 CO 0.03 -1.02 -0.13 -0.51 -2.51 0.00 0.00 175.55 171.41 2gex s LEU 105 N -2.92 2.78 0.38 -3.49 1.02 -1.25 -0.64 118.68 114.55 2gex s LEU 105 Ca 0.13 -0.85 -0.21 0.00 0.02 0.00 0.00 54.13 53.22 2gex s LEU 105 Cb -0.02 -1.57 -0.10 0.00 0.02 0.00 0.00 46.19 44.51 2gex s LEU 105 CO 0.03 -0.08 0.91 -1.61 0.02 0.00 0.00 176.35 175.61 2gex s GLU 106 N 1.28 4.29 -0.10 1.70 2.02 0.44 -4.85 118.70 123.49 2gex s GLU 106 Ca 0.01 1.10 -0.03 0.00 0.02 0.00 0.00 54.97 56.06 2gex s GLU 106 Cb -0.16 -2.42 0.04 0.00 0.10 0.00 0.00 34.13 31.70 2gex s GLU 106 CO -0.08 0.10 0.08 -2.00 0.02 0.00 0.00 175.26 173.39 2gex s GLU 107 N -2.79 -0.01 0.06 1.61 2.12 -1.26 -0.80 118.70 117.63 2gex s GLU 107 Ca 0.57 0.22 0.02 0.00 0.36 0.00 0.00 54.97 56.14 2gex s GLU 107 Cb -0.12 -0.99 -0.03 0.00 0.26 0.00 0.00 34.13 33.25 2gex s GLU 107 CO 0.17 -0.46 -0.07 -0.51 -0.54 0.00 0.00 175.26 173.84 2gex s LEU 108 N 2.17 2.33 -0.04 2.70 1.02 -0.37 -1.67 118.68 124.83 2gex s LEU 108 Ca 0.04 -0.69 0.07 0.00 0.02 0.00 0.00 54.13 53.57 2gex s LEU 108 Cb -0.14 -0.13 -0.01 0.00 0.02 0.00 0.00 46.19 45.93 2gex s LEU 108 CO -0.06 -0.29 -0.24 -0.60 0.02 0.00 0.00 176.35 175.19 2gex s ARG 109 N -2.26 2.20 -0.03 1.70 3.52 0.01 -1.19 118.95 122.90 2gex s ARG 109 Ca -0.04 -0.86 0.02 0.00 -0.13 0.00 0.00 55.73 54.72 2gex s ARG 109 Cb -0.05 -1.98 -0.03 0.00 -1.56 0.00 0.00 34.95 31.32 2gex s ARG 109 CO -0.01 0.43 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.80 2gex s PHE 110 N -0.34 2.96 1.25 5.12 0.40 0.29 -1.20 117.98 126.47 2gex s PHE 110 Ca 0.03 0.02 -0.17 0.00 -0.60 0.00 0.00 56.93 56.21 2gex s PHE 110 Cb -0.11 -1.67 0.31 0.00 0.51 0.00 0.00 43.02 42.06 2gex s PHE 110 CO 0.01 0.38 1.00 -1.54 0.70 0.00 0.00 175.22 175.77 2gex s SER 111 N -1.18 0.29 0.35 1.36 1.04 -0.03 -4.83 113.70 110.70 2gex s SER 111 Ca 0.15 1.20 0.14 0.00 0.48 0.00 0.00 55.95 57.93 2gex s SER 111 Cb -0.11 -1.82 0.66 0.00 0.10 0.00 0.00 66.02 64.85 2gex s SER 111 CO 0.05 -4.58 1.76 -0.33 0.98 0.00 0.00 173.24 171.13 2gex h GLU 112 N -2.88 0.00 -0.03 4.02 3.07 -2.00 -2.36 114.58 114.39 2gex h GLU 112 Ca -0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.31 2gex h GLU 112 Cb 1.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 2gex h GLU 112 CO 0.43 0.43 0.00 0.00 -1.40 0.00 0.00 179.01 178.47 2gex n ALA 113 N -2.41 2.60 -0.99 3.43 0.00 -1.26 -4.90 120.51 116.98 2gex n ALA 113 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.20 2gex n ALA 113 Cb 0.48 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.64 2gex n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gex n GLY 114 N 0.91 0.71 3.72 0.00 0.00 -0.89 -5.07 105.19 104.57 2gex n GLY 114 Ca 0.16 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.14 2gex n GLY 114 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gex s LYS 115 N -2.12 3.04 0.20 1.61 -0.14 -1.26 -4.90 119.74 116.17 2gex s LYS 115 Ca 0.00 -0.40 -0.32 0.00 -1.36 0.00 0.00 55.97 53.90 2gex s LYS 115 Cb 0.00 -2.85 -0.11 0.00 -1.68 0.00 0.00 37.83 33.19 2gex s LYS 115 CO 0.00 0.70 1.68 0.08 -0.76 0.00 0.00 175.35 177.05 2gex s VAL 116 N -0.96 2.19 -0.01 3.17 1.01 -0.66 -0.85 120.40 124.29 2gex s VAL 116 Ca 0.15 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.29 2gex s VAL 116 Cb -0.12 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 2gex s VAL 116 CO 0.05 0.01 0.05 0.55 0.00 0.00 0.00 175.10 175.76 2gex n VAL 117 N 3.92 0.00 -3.72 2.92 3.14 -0.34 -0.48 118.33 123.76 2gex n VAL 117 Ca 0.15 -0.09 -0.12 0.00 -2.96 0.00 0.00 64.34 61.33 2gex n VAL 117 Cb 0.36 0.50 -0.11 0.00 -1.06 0.00 0.00 33.84 33.54 2gex n VAL 117 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2gex s GLU 118 N -2.06 0.37 -0.05 1.45 2.02 -1.14 -1.56 118.70 117.73 2gex s GLU 118 Ca -0.01 0.62 -0.01 0.00 0.02 0.00 0.00 54.97 55.59 2gex s GLU 118 Cb 0.01 0.06 0.03 0.00 0.10 0.00 0.00 34.13 34.33 2gex s GLU 118 CO 0.09 -0.11 0.02 -1.58 0.02 0.00 0.00 175.26 173.69 2gex s HIS 119 N 0.85 0.41 0.09 1.61 2.46 -0.72 -0.80 115.29 119.19 2gex s HIS 119 Ca -0.05 -0.01 0.04 0.00 0.47 0.00 0.00 55.06 55.51 2gex s HIS 119 Cb -0.06 -0.61 -0.04 0.00 -0.13 0.00 0.00 32.58 31.74 2gex s HIS 119 CO -0.06 -0.24 0.05 -1.58 -2.47 0.00 0.00 174.74 170.44 2gex s TRP 120 N 1.76 3.09 -1.23 3.88 0.51 -0.67 -0.76 118.94 125.52 2gex s TRP 120 Ca 0.01 0.02 -0.17 0.00 -2.12 0.00 0.00 56.10 53.84 2gex s TRP 120 Cb -0.13 -1.57 0.00 0.00 -0.81 0.00 0.00 33.47 30.96 2gex s TRP 120 CO -0.04 0.50 0.65 -3.47 -0.51 0.00 0.00 176.95 174.09 2gex n ASP 121 N 0.46 -3.58 0.25 2.95 -0.08 -0.52 -4.39 116.55 111.64 2gex n ASP 121 Ca -0.09 -1.07 0.13 0.00 -1.51 0.00 0.00 54.79 52.24 2gex n ASP 121 Cb 0.52 -2.96 0.58 0.00 2.34 0.00 0.00 41.12 41.60 2gex n ASP 121 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 2gex h VAL 122 N -2.01 0.41 -0.38 5.18 3.04 -1.16 -1.32 116.25 120.02 2gex h VAL 122 Ca -0.66 -0.85 0.00 0.00 -1.01 0.00 0.00 66.70 64.18 2gex h VAL 122 Cb 1.37 1.62 0.00 0.00 -2.01 0.00 0.00 31.29 32.27 2gex h VAL 122 CO 0.53 0.14 0.00 0.49 -1.01 0.00 0.00 177.57 177.73 2gex n PHE 123 N -3.35 0.60 0.06 3.17 3.72 -1.26 -4.32 117.46 116.09 2gex n PHE 123 Ca -0.00 -0.28 0.01 0.00 -0.05 0.00 0.00 57.45 57.13 2gex n PHE 123 Cb 0.36 -0.05 0.34 0.00 -0.94 0.00 0.00 39.48 39.20 2gex n PHE 123 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 176.76 173.76 2gex h ASN 124 N 2.24 0.35 -0.00 4.37 7.08 -1.58 -1.27 115.58 126.76 2gex h ASN 124 Ca 0.00 -0.07 0.00 0.00 -3.08 0.00 0.00 56.30 53.15 2gex h ASN 124 Cb 0.63 -0.09 -0.00 0.00 -2.08 0.00 0.00 38.32 36.78 2gex h ASN 124 CO 0.04 0.47 0.02 2.19 -2.08 0.00 0.00 177.43 178.07 2gex h PHE 125 N 0.35 0.00 -3.37 4.14 -5.15 -1.82 -3.43 116.94 107.65 2gex h PHE 125 Ca 0.07 0.00 -0.60 0.00 -0.20 0.00 0.00 57.97 57.24 2gex h PHE 125 Cb 0.37 0.00 -0.10 0.00 0.22 0.00 0.00 35.95 36.44 2gex h PHE 125 CO 0.01 0.00 0.35 0.45 -2.00 0.00 0.00 178.31 177.11 2gex s SER 126 N -5.18 6.72 0.41 -0.68 0.15 -0.48 -5.02 113.70 109.61 2gex s SER 126 Ca -0.05 0.87 -0.26 0.00 0.70 0.00 0.00 55.95 57.21 2gex s SER 126 Cb 0.13 -2.39 -0.08 0.00 -1.71 0.00 0.00 66.02 61.96 2gex s SER 126 CO 0.41 -0.47 1.27 -2.16 1.20 0.00 0.00 173.24 173.49 2gex s PRO 127 N 2.73 3.94 0.76 5.44 0.04 -1.26 -5.03 135.00 141.61 2gex s PRO 127 Ca 0.31 2.08 -0.10 0.00 0.04 0.00 0.00 61.00 63.33 2gex s PRO 127 Cb -0.15 -2.71 0.07 0.00 0.04 0.00 0.00 34.50 31.75 2gex s PRO 127 CO 0.08 -0.49 1.11 -0.51 0.04 0.00 0.00 177.00 177.23 2gex s LEU 128 N -2.51 2.64 0.45 -3.56 1.02 -1.26 -4.95 118.68 110.52 2gex s LEU 128 Ca 0.58 0.70 0.11 0.00 0.02 0.00 0.00 54.13 55.54 2gex s LEU 128 Cb -0.36 -3.27 1.03 0.00 0.02 0.00 0.00 46.19 43.61 2gex s LEU 128 CO 0.46 -1.75 2.08 2.19 0.02 0.00 0.00 176.35 179.35 2gex h PHE 129 N -0.86 0.32 0.00 0.29 -0.00 -1.96 -1.26 116.94 113.47 2gex h PHE 129 Ca -0.45 0.01 -0.04 0.00 -0.00 0.00 0.00 57.97 57.48 2gex h PHE 129 Cb 1.32 -0.11 -0.01 0.00 -0.00 0.00 0.00 35.95 37.15 2gex h PHE 129 CO 0.33 0.20 -0.21 0.07 -0.00 0.00 0.00 178.31 178.70 2gex h ARG 130 N 0.34 0.00 0.00 6.09 0.11 -1.94 -0.03 114.38 118.96 2gex h ARG 130 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 2gex h ARG 130 Cb 0.04 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.12 2gex h ARG 130 CO -0.02 0.21 0.00 -0.44 0.10 0.00 0.00 179.97 179.82 2gex h ASP 131 N 0.00 0.00 -0.00 0.08 3.32 -1.60 -2.89 116.42 115.33 2gex h ASP 131 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gex h ASP 131 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 2gex h ASP 131 CO 0.03 0.00 -0.91 0.18 -1.72 0.00 0.00 179.24 176.82 2gex n LEU 132 N -2.89 1.11 -2.03 1.55 4.77 -0.71 -4.44 117.00 114.37 2gex n LEU 132 Ca 0.03 -0.53 -0.12 0.00 -0.03 0.00 0.00 56.01 55.35 2gex n LEU 132 Cb 0.39 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.52 2gex n LEU 132 CO 0.29 0.26 0.12 0.61 -1.33 0.00 0.00 177.39 177.34 2gex n GLY 133 N 1.48 0.19 0.00 -0.72 0.00 -0.11 -5.03 105.19 101.00 2gex n GLY 133 Ca 0.05 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2gex n GLY 133 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70