#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gsh s ASN 2 N 0.00 1.94 0.53 1.96 2.20 -1.26 -4.96 114.94 115.35 3gsh s ASN 2 Ca 0.00 -1.37 0.32 0.00 -0.94 0.00 0.00 52.86 50.87 3gsh s ASN 2 Cb 0.00 0.00 1.32 0.00 -2.00 0.00 0.00 41.25 40.57 3gsh s ASN 2 CO 0.00 -0.64 1.97 0.00 -2.94 0.00 0.00 177.10 175.49 3gsh h GLY 4 N 1.93 0.89 1.06 0.00 0.00 -1.99 0.08 103.07 105.05 3gsh h GLY 4 Ca -0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 46.51 3gsh h GLY 4 CO 0.01 0.65 -0.13 1.46 0.00 0.00 0.00 176.54 178.52 3gsh h GLN 5 N 0.66 0.94 0.20 4.80 4.20 -1.86 0.15 115.11 124.19 3gsh h GLN 5 Ca 0.12 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 3gsh h GLN 5 Cb 0.59 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3gsh h GLN 5 CO 0.04 1.03 -0.10 0.28 -0.67 0.00 0.00 178.83 179.41 3gsh h VAL 6 N 0.79 0.84 -0.69 -0.54 2.07 -1.22 -1.99 116.25 115.50 3gsh h VAL 6 Ca 0.12 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.52 3gsh h VAL 6 Cb 0.69 0.95 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3gsh h VAL 6 CO 0.05 0.04 0.39 -0.78 0.02 0.00 0.00 177.57 177.29 3gsh h ASP 7 N -0.36 0.57 -0.05 0.57 1.82 -0.87 -2.42 116.42 115.68 3gsh h ASP 7 Ca -0.03 0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 3gsh h ASP 7 Cb 0.28 -0.08 -0.00 0.00 0.68 0.00 0.00 39.33 40.21 3gsh h ASP 7 CO 0.04 0.36 0.03 -1.28 -1.61 0.00 0.00 179.24 176.79 3gsh h SER 8 N 0.70 0.06 0.05 2.28 0.87 -0.77 0.16 113.55 116.89 3gsh h SER 8 Ca 0.32 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3gsh h SER 8 Cb 0.22 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3gsh h SER 8 CO -0.19 0.06 -0.07 0.11 -0.53 0.00 0.00 176.83 176.20 3gsh h LYS 9 N 0.05 0.06 0.00 2.24 1.57 -1.26 -2.54 116.57 116.69 3gsh h LYS 9 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3gsh h LYS 9 Cb 0.01 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3gsh h LYS 9 CO -0.00 0.14 -0.58 -1.33 -0.57 0.00 0.00 179.45 177.11 3gsh n MET 10 N -4.42 0.03 -0.32 3.15 2.81 -0.75 -4.28 117.12 113.34 3gsh n MET 10 Ca -0.02 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 56.00 3gsh n MET 10 Cb 0.17 -1.51 0.31 0.00 -0.71 0.00 0.00 33.22 31.48 3gsh n MET 10 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3gsh h LYS 11 N 0.00 0.52 0.00 0.03 1.57 -0.54 0.14 116.57 118.28 3gsh h LYS 11 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3gsh h LYS 11 Cb 0.52 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3gsh h LYS 11 CO 0.00 0.34 0.24 -1.35 -0.57 0.00 0.00 179.45 178.11 3gsh h PRO 12 N 0.53 0.00 -0.00 3.15 0.11 -1.80 -1.68 132.00 132.30 3gsh h PRO 12 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 3gsh h PRO 12 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3gsh h PRO 12 CO -0.46 0.00 -0.32 0.00 -0.21 0.00 0.00 178.00 177.01 3gsh h LEU 14 N 0.39 -0.61 -1.24 0.00 5.85 -1.40 -1.46 115.31 116.83 3gsh h LEU 14 Ca 0.00 0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 3gsh h LEU 14 Cb 0.48 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3gsh h LEU 14 CO 0.00 -0.27 -0.25 0.71 -0.34 0.00 0.00 178.44 178.29 3gsh h THR 15 N -0.32 1.23 -0.27 1.05 1.35 -1.83 -1.57 112.91 112.56 3gsh h THR 15 Ca 0.06 -1.08 -0.04 0.00 -0.55 0.00 0.00 66.41 64.80 3gsh h THR 15 Cb 0.41 1.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 3gsh h THR 15 CO -0.20 0.33 0.00 0.22 -0.25 0.00 0.00 175.52 175.61 3gsh h TYR 16 N 0.18 0.51 0.00 4.73 3.20 -1.62 0.11 116.97 124.08 3gsh h TYR 16 Ca 0.03 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.81 3gsh h TYR 16 Cb 0.55 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.69 3gsh h TYR 16 CO 0.01 0.62 0.00 1.33 -1.64 0.00 0.00 178.16 178.48 3gsh n VAL 17 N -4.61 0.48 0.67 1.81 0.24 -0.59 -1.32 118.33 115.02 3gsh n VAL 17 Ca -0.03 0.09 0.08 0.00 -2.04 0.00 0.00 64.34 62.43 3gsh n VAL 17 Cb 0.25 -0.74 0.22 0.00 -1.47 0.00 0.00 33.84 32.09 3gsh n VAL 17 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gsh n GLN 18 N -1.62 2.00 0.00 7.34 6.02 -0.64 0.98 117.38 131.45 3gsh n GLN 18 Ca 0.05 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.50 3gsh n GLN 18 Cb 0.28 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.18 3gsh n GLN 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gsh n GLY 19 N 1.20 0.52 3.68 1.08 0.00 -0.43 -4.71 105.19 106.52 3gsh n GLY 19 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3gsh n GLY 19 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gsh s GLY 20 N -1.09 1.66 0.80 -0.02 0.00 0.37 -4.98 107.32 104.06 3gsh s GLY 20 Ca 0.00 -1.15 -0.11 0.00 0.00 0.00 0.00 44.72 43.46 3gsh s GLY 20 CO 0.00 -0.24 1.09 2.56 0.00 0.00 0.00 173.10 176.51 3gsh s PRO 21 N -5.64 2.03 0.00 2.90 0.04 -1.26 -4.46 135.00 128.61 3gsh s PRO 21 Ca 0.73 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.81 3gsh s PRO 21 Cb -0.06 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3gsh s PRO 21 CO 0.55 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 176.24 3gsh n GLY 22 N -1.28 0.34 3.78 0.56 0.00 -1.26 -4.15 105.19 103.17 3gsh n GLY 22 Ca 0.08 -1.70 -0.37 0.00 0.00 0.00 0.00 46.02 44.04 3gsh n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gsh s PRO 23 N -2.00 4.10 0.82 1.61 0.04 -1.26 -5.10 135.00 133.21 3gsh s PRO 23 Ca 0.00 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.50 3gsh s PRO 23 Cb 0.00 -2.53 0.09 0.00 0.04 0.00 0.00 34.50 32.10 3gsh s PRO 23 CO 0.00 -0.21 1.09 -1.54 0.04 0.00 0.00 177.00 176.38 3gsh s SER 24 N -1.51 4.07 0.33 6.66 1.04 -1.26 -4.86 113.70 118.17 3gsh s SER 24 Ca 0.59 1.75 0.02 0.00 0.48 0.00 0.00 55.95 58.79 3gsh s SER 24 Cb -0.23 -2.42 0.59 0.00 0.10 0.00 0.00 66.02 64.05 3gsh s SER 24 CO 0.29 -2.30 1.96 1.23 0.98 0.00 0.00 173.24 175.40 3gsh h GLY 25 N -1.31 1.10 1.02 7.32 0.00 -1.99 -1.06 103.07 108.15 3gsh h GLY 25 Ca -0.45 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.46 3gsh h GLY 25 CO 0.52 0.31 0.28 0.83 0.00 0.00 0.00 176.54 178.47 3gsh h GLU 26 N 0.94 1.04 0.15 4.80 3.07 -1.93 -0.85 114.58 121.79 3gsh h GLU 26 Ca 0.32 -0.19 -0.01 0.00 -0.50 0.00 0.00 59.36 58.98 3gsh h GLU 26 Cb 0.09 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 27.84 3gsh h GLU 26 CO -0.10 0.86 -0.07 0.00 -1.40 0.00 0.00 179.01 178.30 3gsh h ASN 29 N 1.04 0.98 -0.28 0.00 2.35 -1.07 0.28 115.58 118.88 3gsh h ASN 29 Ca 0.41 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3gsh h ASN 29 Cb 0.23 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3gsh h ASN 29 CO -0.16 0.70 0.16 1.23 -1.65 0.00 0.00 177.43 177.72 3gsh h GLY 30 N 1.15 0.40 1.04 2.83 0.00 -0.42 -0.90 103.07 107.17 3gsh h GLY 30 Ca 0.31 -0.17 -0.06 0.00 0.00 0.00 0.00 47.33 47.41 3gsh h GLY 30 CO -0.07 0.16 0.15 -2.08 0.00 0.00 0.00 176.54 174.70 3gsh h VAL 31 N 0.35 1.26 -0.31 4.60 2.07 -1.05 -1.98 116.25 121.18 3gsh h VAL 31 Ca 0.10 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.71 3gsh h VAL 31 Cb 0.02 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3gsh h VAL 31 CO -0.02 0.35 0.12 -0.09 0.02 0.00 0.00 177.57 177.96 3gsh h ARG 32 N 0.94 0.26 -0.38 1.57 2.43 -0.78 0.03 114.38 118.46 3gsh h ARG 32 Ca 0.20 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.42 3gsh h ARG 32 Cb 0.37 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 3gsh h ARG 32 CO 0.00 0.17 0.02 0.22 -1.51 0.00 0.00 179.97 178.87 3gsh h ASP 33 N 0.27 -0.12 -0.59 -3.80 3.58 -0.93 0.64 116.42 115.48 3gsh h ASP 33 Ca 0.14 0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.62 3gsh h ASP 33 Cb 0.09 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 3gsh h ASP 33 CO -0.13 -0.02 0.18 0.25 -2.88 0.00 0.00 179.24 176.64 3gsh h LEU 34 N 0.12 0.86 -1.23 2.28 5.85 -1.07 -0.09 115.31 122.02 3gsh h LEU 34 Ca 0.18 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3gsh h LEU 34 Cb 0.25 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3gsh h LEU 34 CO -0.29 0.85 -0.06 -0.74 -0.34 0.00 0.00 178.44 177.86 3gsh h HIS 35 N 0.83 0.48 -0.26 1.25 2.76 -0.46 -1.93 115.15 117.82 3gsh h HIS 35 Ca 0.19 -0.05 -0.14 0.00 -2.20 0.00 0.00 60.37 58.16 3gsh h HIS 35 Cb 0.30 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.12 3gsh h HIS 35 CO 0.02 0.52 -0.40 -0.91 -1.30 0.00 0.00 177.93 175.86 3gsh h ASN 36 N 0.43 0.81 0.38 3.26 2.35 -0.12 -3.11 115.58 119.57 3gsh h ASN 36 Ca 0.09 -0.51 -0.05 0.00 -0.55 0.00 0.00 56.30 55.27 3gsh h ASN 36 Cb 0.38 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 3gsh h ASN 36 CO 0.02 1.16 -0.26 1.56 -1.65 0.00 0.00 177.43 178.26 3gsh h GLN 37 N 0.47 0.00 -3.64 0.81 4.20 -0.71 -3.38 115.11 112.87 3gsh h GLN 37 Ca 0.03 0.00 -0.73 0.00 0.06 0.00 0.00 58.65 58.00 3gsh h GLN 37 Cb 0.99 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.67 3gsh h GLN 37 CO 0.09 0.26 2.55 0.00 -0.67 0.00 0.00 178.83 181.06 3gsh n ALA 38 N -2.41 5.58 0.07 3.87 0.00 -0.76 -4.78 120.51 122.08 3gsh n ALA 38 Ca -0.02 -4.11 -0.08 0.00 0.00 0.00 0.00 53.44 49.23 3gsh n ALA 38 Cb 0.33 -3.21 -0.12 0.00 0.00 0.00 0.00 19.45 16.46 3gsh n ALA 38 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gsh h GLN 39 N 5.77 0.05 -6.21 0.00 1.08 -1.82 -3.40 115.11 110.58 3gsh h GLN 39 Ca 0.49 -0.08 -0.49 0.00 -1.45 0.00 0.00 58.65 57.12 3gsh h GLN 39 Cb 0.61 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 3gsh h GLN 39 CO 1.73 1.03 -0.46 -1.54 -0.95 0.00 0.00 178.83 178.64 3gsh s SER 40 N -6.79 5.56 0.20 1.46 1.04 -1.26 -4.99 113.70 108.92 3gsh s SER 40 Ca 0.00 -0.31 -0.19 0.00 0.48 0.00 0.00 55.95 55.93 3gsh s SER 40 Cb 0.10 -1.25 0.18 0.00 0.10 0.00 0.00 66.02 65.14 3gsh s SER 40 CO 0.83 -0.22 1.58 0.28 0.98 0.00 0.00 173.24 176.69 3gsh h SER 41 N 1.29 -1.16 -0.32 7.02 0.02 -2.00 -0.75 113.55 117.65 3gsh h SER 41 Ca -0.47 0.25 0.06 0.00 -0.84 0.00 0.00 61.79 60.79 3gsh h SER 41 Cb 1.25 0.61 -0.06 0.00 0.14 0.00 0.00 62.40 64.33 3gsh h SER 41 CO 0.59 -0.29 -0.05 1.23 -1.14 0.00 0.00 176.83 177.16 3gsh h GLY 42 N -0.10 0.26 0.89 -3.77 0.00 -1.98 -1.70 103.07 96.66 3gsh h GLY 42 Ca 0.28 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.71 3gsh h GLY 42 CO -0.77 -0.11 0.13 -0.55 0.00 0.00 0.00 176.54 175.24 3gsh h ASP 43 N 0.03 0.19 -0.51 0.19 3.32 -1.77 -1.09 116.42 116.79 3gsh h ASP 43 Ca 0.15 0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.24 3gsh h ASP 43 Cb 0.23 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3gsh h ASP 43 CO -0.31 0.15 0.29 0.03 -1.72 0.00 0.00 179.24 177.68 3gsh h ARG 44 N 0.27 0.57 -0.51 3.56 3.08 -0.96 -0.29 114.38 120.09 3gsh h ARG 44 Ca 0.10 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3gsh h ARG 44 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3gsh h ARG 44 CO -0.07 0.37 0.29 0.37 -1.07 0.00 0.00 179.97 179.87 3gsh h GLN 45 N 0.58 0.70 0.09 0.04 4.15 -1.01 -0.78 115.11 118.89 3gsh h GLN 45 Ca 0.21 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.55 3gsh h GLN 45 Cb 0.05 -0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.60 3gsh h GLN 45 CO -0.11 0.53 -0.04 1.15 -1.93 0.00 0.00 178.83 178.43 3gsh h THR 46 N 0.68 0.98 -0.49 2.39 2.02 -0.90 -1.65 112.91 115.94 3gsh h THR 46 Ca 0.18 -0.22 0.02 0.00 0.77 0.00 0.00 66.41 67.16 3gsh h THR 46 Cb 0.02 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 3gsh h THR 46 CO -0.03 0.06 0.30 0.58 0.37 0.00 0.00 175.52 176.79 3gsh h VAL 47 N -0.22 1.06 0.06 3.16 2.07 -0.94 -1.07 116.25 120.37 3gsh h VAL 47 Ca -0.01 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.33 3gsh h VAL 47 Cb 0.18 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3gsh h VAL 47 CO 0.02 0.11 -0.27 0.00 0.02 0.00 0.00 177.57 177.45 3gsh h ASN 49 N -0.45 1.01 -0.60 0.00 2.35 -1.21 -1.64 115.58 115.04 3gsh h ASN 49 Ca 0.05 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3gsh h ASN 49 Cb 0.50 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 3gsh h ASN 49 CO -0.20 0.70 0.35 0.00 -1.65 0.00 0.00 177.43 176.62 3gsh h LEU 51 N 0.82 0.69 -0.12 0.00 3.38 -0.45 0.86 115.31 120.50 3gsh h LEU 51 Ca 0.21 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3gsh h LEU 51 Cb 0.01 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3gsh h LEU 51 CO -0.04 0.89 -0.03 0.50 0.09 0.00 0.00 178.44 179.85 3gsh h LYS 52 N 0.61 0.23 -0.35 1.13 3.64 -1.10 0.01 116.57 120.75 3gsh h LYS 52 Ca 0.09 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3gsh h LYS 52 Cb 0.68 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 3gsh h LYS 52 CO 0.05 0.54 0.02 0.78 -2.27 0.00 0.00 179.45 178.58 3gsh h GLY 53 N -0.09 0.36 0.98 5.01 0.00 -1.08 -2.61 103.07 105.64 3gsh h GLY 53 Ca 0.03 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 3gsh h GLY 53 CO 0.01 -0.06 0.26 -2.22 0.00 0.00 0.00 176.54 174.53 3gsh h ILE 54 N 0.13 1.20 -0.60 2.60 2.04 -0.61 -2.46 117.51 119.81 3gsh h ILE 54 Ca 0.17 -0.54 0.10 0.00 1.00 0.00 0.00 64.86 65.58 3gsh h ILE 54 Cb 0.22 0.58 -0.07 0.00 -0.74 0.00 0.00 36.82 36.80 3gsh h ILE 54 CO -0.26 0.22 0.21 0.00 0.00 0.00 0.00 178.15 178.32 3gsh h ALA 55 N 1.10 0.77 -0.25 1.87 0.00 -0.83 -1.05 119.26 120.87 3gsh h ALA 55 Ca 0.18 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.26 3gsh h ALA 55 Cb 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3gsh h ALA 55 CO -0.02 -0.22 0.19 0.00 0.00 0.00 0.00 179.25 179.20 3gsh h ARG 56 N 0.38 0.00 -0.02 0.00 3.08 -1.07 -2.66 114.38 114.09 3gsh h ARG 56 Ca 0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3gsh h ARG 56 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3gsh h ARG 56 CO -0.33 0.00 -0.00 0.41 -1.07 0.00 0.00 179.97 178.98 3gsh n GLY 57 N -1.56 0.06 3.62 0.04 0.00 -0.42 -4.86 105.19 102.07 3gsh n GLY 57 Ca 0.03 -0.46 -0.40 0.00 0.00 0.00 0.00 46.02 45.19 3gsh n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gsh s ILE 58 N -2.00 5.10 0.42 -0.61 1.01 -1.00 -5.06 121.20 119.05 3gsh s ILE 58 Ca 0.37 0.81 -0.22 0.00 0.00 0.00 0.00 60.65 61.61 3gsh s ILE 58 Cb 0.21 -3.80 -0.10 0.00 0.01 0.00 0.00 42.46 38.78 3gsh s ILE 58 CO 0.33 0.11 1.00 -2.28 0.00 0.00 0.00 174.94 174.10 3gsh s HIS 59 N 2.22 3.27 -1.42 3.97 2.46 -1.26 -3.56 115.29 120.97 3gsh s HIS 59 Ca 0.20 1.64 -0.02 0.00 0.47 0.00 0.00 55.06 57.34 3gsh s HIS 59 Cb -0.16 -3.00 0.02 0.00 -0.13 0.00 0.00 32.58 29.31 3gsh s HIS 59 CO 0.09 -0.41 0.54 0.09 -2.47 0.00 0.00 174.74 172.59 3gsh n ASN 60 N -0.38 -1.00 -4.68 9.88 3.02 -1.26 -4.86 115.26 115.98 3gsh n ASN 60 Ca 0.06 -0.95 -0.42 0.00 -0.03 0.00 0.00 54.58 53.24 3gsh n ASN 60 Cb 0.52 -3.29 -0.03 0.00 -0.61 0.00 0.00 39.78 36.37 3gsh n ASN 60 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3gsh s LEU 61 N -6.95 4.35 -0.54 3.41 2.96 -1.23 -4.38 118.68 116.29 3gsh s LEU 61 Ca 0.10 2.37 -0.23 0.00 -0.22 0.00 0.00 54.13 56.15 3gsh s LEU 61 Cb -0.05 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.13 3gsh s LEU 61 CO 0.87 -0.88 0.89 0.21 -1.32 0.00 0.00 176.35 176.12 3gsh s ASN 62 N 2.66 6.32 0.15 3.68 3.84 0.27 -4.94 114.94 126.92 3gsh s ASN 62 Ca 0.73 -0.45 -0.17 0.00 0.21 0.00 0.00 52.86 53.17 3gsh s ASN 62 Cb -0.37 -2.41 0.02 0.00 -0.55 0.00 0.00 41.25 37.94 3gsh s ASN 62 CO 0.31 -1.17 1.77 -0.07 -2.79 0.00 0.00 177.10 175.15 3gsh h LEU 63 N 10.75 0.22 -0.16 3.21 4.07 -1.93 -1.68 115.31 129.78 3gsh h LEU 63 Ca -0.26 0.02 0.05 0.00 0.08 0.00 0.00 57.88 57.77 3gsh h LEU 63 Cb 1.08 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.74 3gsh h LEU 63 CO 1.07 0.17 -0.22 0.78 -1.08 0.00 0.00 178.44 179.16 3gsh h ASN 64 N 0.32 -0.68 -0.21 -0.43 2.35 -1.96 -1.25 115.58 113.73 3gsh h ASN 64 Ca 0.14 0.12 0.01 0.00 -0.55 0.00 0.00 56.30 56.02 3gsh h ASN 64 Cb 0.06 0.31 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 3gsh h ASN 64 CO -0.10 -0.26 0.11 0.78 -1.65 0.00 0.00 177.43 176.30 3gsh h ASN 65 N -0.26 0.17 -0.40 5.81 4.21 -1.82 -1.72 115.58 121.57 3gsh h ASN 65 Ca 0.11 0.01 0.07 0.00 1.21 0.00 0.00 56.30 57.70 3gsh h ASN 65 Cb 0.42 -0.03 -0.07 0.00 -1.12 0.00 0.00 38.32 37.53 3gsh h ASN 65 CO -0.31 0.13 -0.01 0.00 -1.29 0.00 0.00 177.43 175.95 3gsh h ALA 66 N 1.10 0.36 0.00 -0.83 0.00 -1.22 -2.57 119.26 116.10 3gsh h ALA 66 Ca 0.08 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3gsh h ALA 66 Cb 0.01 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3gsh h ALA 66 CO -0.05 -0.40 -0.07 0.00 0.00 0.00 0.00 179.25 178.73 3gsh h ALA 67 N 1.35 1.07 -0.00 0.00 0.00 -0.97 -3.03 119.26 117.67 3gsh h ALA 67 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gsh h ALA 67 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3gsh h ALA 67 CO -0.33 0.09 -0.44 -1.13 0.00 0.00 0.00 179.25 177.44 3gsh n SER 68 N -3.27 0.56 0.01 0.00 3.41 -0.67 -4.47 113.62 109.20 3gsh n SER 68 Ca -0.01 -0.33 -0.10 0.00 -0.26 0.00 0.00 58.87 58.18 3gsh n SER 68 Cb 0.28 0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 3gsh n SER 68 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3gsh h ILE 69 N 0.20 0.65 -0.39 -1.33 2.04 -1.46 -1.05 117.51 116.16 3gsh h ILE 69 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3gsh h ILE 69 Cb 0.50 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3gsh h ILE 69 CO 0.00 0.00 0.25 -0.65 0.00 0.00 0.00 178.15 177.75 3gsh h PRO 70 N -0.17 0.52 -0.36 2.37 0.11 -1.83 0.26 132.00 132.92 3gsh h PRO 70 Ca 0.08 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.13 3gsh h PRO 70 Cb 0.28 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 3gsh h PRO 70 CO -0.20 0.37 0.15 0.66 -0.21 0.00 0.00 178.00 178.77 3gsh h SER 71 N 0.52 0.49 -0.85 -2.05 4.64 -1.73 0.53 113.55 115.10 3gsh h SER 71 Ca 0.14 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3gsh h SER 71 Cb -0.03 -0.13 -0.04 0.00 -0.31 0.00 0.00 62.40 61.90 3gsh h SER 71 CO -0.03 0.51 0.49 0.11 -0.87 0.00 0.00 176.83 177.04 3gsh h LYS 72 N 0.43 1.17 -0.01 4.77 1.57 -0.98 -2.45 116.57 121.08 3gsh h LYS 72 Ca 0.12 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gsh h LYS 72 Cb 0.17 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3gsh h LYS 72 CO -0.01 0.84 -0.08 0.00 -0.57 0.00 0.00 179.45 179.63 3gsh n ASN 74 N -0.63 -3.31 -4.10 0.00 5.03 0.01 -5.01 115.26 107.25 3gsh n ASN 74 Ca 0.17 -0.94 -0.27 0.00 0.87 0.00 0.00 54.58 54.41 3gsh n ASN 74 Cb 0.27 -3.64 -0.17 0.00 -1.02 0.00 0.00 39.78 35.23 3gsh n ASN 74 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3gsh s VAL 75 N -3.61 1.44 -0.60 2.41 1.01 -0.20 -5.05 120.40 115.80 3gsh s VAL 75 Ca 0.25 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.49 3gsh s VAL 75 Cb -0.08 -1.27 -0.20 0.00 0.00 0.00 0.00 36.38 34.83 3gsh s VAL 75 CO 0.84 0.42 3.34 0.59 0.00 0.00 0.00 175.10 180.30 3gsh n ASN 76 N 3.58 6.46 -4.70 3.32 3.02 -1.26 -4.49 115.26 121.20 3gsh n ASN 76 Ca -0.21 -2.50 -0.42 0.00 -0.03 0.00 0.00 54.58 51.42 3gsh n ASN 76 Cb 0.52 -1.45 -0.03 0.00 -0.61 0.00 0.00 39.78 38.21 3gsh n ASN 76 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gsh s VAL 77 N 1.47 3.05 -0.16 2.41 1.01 -1.26 -4.87 120.40 122.05 3gsh s VAL 77 Ca 0.67 0.58 0.01 0.00 0.00 0.00 0.00 61.98 63.25 3gsh s VAL 77 Cb 0.26 -3.37 0.21 0.00 0.00 0.00 0.00 36.38 33.48 3gsh s VAL 77 CO -0.02 0.01 1.27 -0.81 0.00 0.00 0.00 175.10 175.55 3gsh n PRO 78 N 5.10 1.41 -3.82 2.72 -0.04 -1.26 -4.83 135.00 134.28 3gsh n PRO 78 Ca 0.15 -0.93 -0.05 0.00 -0.04 0.00 0.00 63.50 62.63 3gsh n PRO 78 Cb 0.41 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3gsh n PRO 78 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3gsh s TYR 79 N -1.03 -0.02 -0.21 0.54 1.13 -1.26 -4.93 117.35 111.56 3gsh s TYR 79 Ca 0.18 -0.42 -0.13 0.00 -1.41 0.00 0.00 57.07 55.28 3gsh s TYR 79 Cb 0.15 0.72 -0.05 0.00 -1.10 0.00 0.00 41.96 41.68 3gsh s TYR 79 CO 0.03 -1.11 0.26 0.99 -2.51 0.00 0.00 175.55 173.22 3gsh s THR 80 N -2.86 5.30 -0.02 -3.49 2.01 -1.26 -5.05 115.64 110.28 3gsh s THR 80 Ca 0.15 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.27 3gsh s THR 80 Cb -0.03 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 3gsh s THR 80 CO 0.06 0.33 1.41 -0.63 -0.69 0.00 0.00 174.62 175.10 3gsh s ILE 81 N 0.99 3.75 0.09 1.82 1.01 -1.26 -4.81 121.20 122.78 3gsh s ILE 81 Ca 0.13 1.09 -0.27 0.00 0.00 0.00 0.00 60.65 61.60 3gsh s ILE 81 Cb -0.14 -3.70 0.08 0.00 0.01 0.00 0.00 42.46 38.71 3gsh s ILE 81 CO 0.05 -0.02 1.07 -0.94 0.00 0.00 0.00 174.94 175.10 3gsh s SER 82 N 2.03 -0.14 0.00 3.58 1.04 -1.26 -3.44 113.70 115.51 3gsh s SER 82 Ca 0.64 -0.30 0.12 0.00 0.48 0.00 0.00 55.95 56.88 3gsh s SER 82 Cb -0.31 0.37 0.54 0.00 0.10 0.00 0.00 66.02 66.72 3gsh s SER 82 CO 0.26 -0.69 1.32 -0.81 0.98 0.00 0.00 173.24 174.30 3gsh n PRO 83 N -0.47 0.08 -3.77 4.02 -0.04 -1.26 -4.25 135.00 129.31 3gsh n PRO 83 Ca -0.07 0.24 -0.30 0.00 -0.04 0.00 0.00 63.50 63.33 3gsh n PRO 83 Cb 0.61 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.43 3gsh n PRO 83 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3gsh s ASP 84 N -2.79 3.97 0.02 3.54 1.01 -1.26 -4.83 116.67 116.33 3gsh s ASP 84 Ca 0.08 -2.19 0.06 0.00 0.71 0.00 0.00 52.55 51.21 3gsh s ASP 84 Cb 0.08 -1.06 -0.02 0.00 1.01 0.00 0.00 42.92 42.92 3gsh s ASP 84 CO 0.19 -0.34 -0.18 -0.51 0.21 0.00 0.00 175.17 174.54 3gsh s ILE 85 N 0.90 1.47 -0.68 0.77 2.07 -1.26 -5.04 121.20 119.44 3gsh s ILE 85 Ca 0.14 -1.02 -0.19 0.00 -1.41 0.00 0.00 60.65 58.17 3gsh s ILE 85 Cb -0.21 -1.27 0.11 0.00 0.13 0.00 0.00 42.46 41.22 3gsh s ILE 85 CO -0.11 0.23 0.81 -0.62 -1.91 0.00 0.00 174.94 173.34 3gsh s ASP 86 N -0.92 6.31 0.00 4.50 2.15 -1.26 -4.90 116.67 122.54 3gsh s ASP 86 Ca 0.06 -1.59 0.23 0.00 0.43 0.00 0.00 52.55 51.68 3gsh s ASP 86 Cb -0.08 -2.32 0.84 0.00 -0.30 0.00 0.00 42.92 41.05 3gsh s ASP 86 CO 0.01 -1.10 1.61 0.00 -0.17 0.00 0.00 175.17 175.51 3gsh n SER 88 N 0.29 0.40 -2.91 0.00 3.41 -1.26 -4.38 113.62 109.17 3gsh n SER 88 Ca 0.17 0.13 -0.19 0.00 -0.26 0.00 0.00 58.87 58.72 3gsh n SER 88 Cb 0.34 -0.10 -0.01 0.00 -0.26 0.00 0.00 64.21 64.18 3gsh n SER 88 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gsh n ARG 89 N -1.67 1.80 0.00 4.33 1.74 -1.26 -5.00 116.66 116.60 3gsh n ARG 89 Ca 0.06 -3.80 0.00 0.00 -0.77 0.00 0.00 57.85 53.34 3gsh n ARG 89 Cb 0.36 -1.76 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 3gsh n ARG 89 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3gsh n ILE 90 N -0.02 0.00 0.51 0.55 2.08 -1.26 -5.12 119.36 116.10 3gsh n ILE 90 Ca 0.24 0.29 0.06 0.00 0.56 0.00 0.00 62.75 63.90 3gsh n ILE 90 Cb 0.65 -0.67 0.05 0.00 -0.75 0.00 0.00 39.64 38.92 3gsh n ILE 90 CO 0.00 0.00 0.00 -1.22 0.56 0.00 0.00 176.55 175.89