#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 2.11 0.50 -1.43 2.20 -1.26 -4.98 114.94 112.08 3gsh s ASN 2 Ca 0.00 -1.29 0.28 0.00 -0.94 0.00 0.00 52.86 50.91 3gsh s ASN 2 Cb 0.00 -0.04 1.17 0.00 -2.00 0.00 0.00 41.25 40.39 3gsh s ASN 2 CO 0.00 -0.54 1.92 0.00 -2.94 0.00 0.00 177.10 175.54 3gsh h GLY 4 N 1.89 -0.42 0.91 0.00 0.00 -1.99 0.16 103.07 103.63 3gsh h GLY 4 Ca -0.00 0.19 0.03 0.00 0.00 0.00 0.00 47.33 47.55 3gsh h GLY 4 CO 0.02 -0.17 0.66 1.46 0.00 0.00 0.00 176.54 178.51 3gsh h GLN 5 N -0.41 1.26 0.18 4.80 4.20 -1.80 -0.65 115.11 122.68 3gsh h GLN 5 Ca -0.02 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3gsh h GLN 5 Cb 0.36 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3gsh h GLN 5 CO 0.01 0.83 -0.08 0.28 -0.67 0.00 0.00 178.83 179.20 3gsh h VAL 6 N 1.30 0.94 -0.77 -0.54 2.07 -1.16 -1.94 116.25 116.14 3gsh h VAL 6 Ca 0.39 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3gsh h VAL 6 Cb -0.04 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3gsh h VAL 6 CO -0.12 0.14 0.51 -0.78 0.02 0.00 0.00 177.57 177.35 3gsh h ASP 7 N -0.55 0.88 -0.12 0.57 1.82 -0.48 -1.86 116.42 116.68 3gsh h ASP 7 Ca -0.02 -0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.60 3gsh h ASP 7 Cb 0.42 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.20 3gsh h ASP 7 CO 0.04 0.64 0.08 -1.28 -1.61 0.00 0.00 179.24 177.11 3gsh h SER 8 N 1.04 0.13 -0.16 2.28 0.87 -0.98 -0.65 113.55 116.09 3gsh h SER 8 Ca 0.28 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.79 3gsh h SER 8 Cb -0.12 -0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.79 3gsh h SER 8 CO -0.06 0.10 -0.04 0.11 -0.53 0.00 0.00 176.83 176.41 3gsh h LYS 9 N 0.16 0.44 -0.00 2.24 1.57 -1.18 -2.87 116.57 116.93 3gsh h LYS 9 Ca 0.05 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3gsh h LYS 9 Cb -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3gsh h LYS 9 CO -0.01 0.50 -0.38 -1.33 -0.57 0.00 0.00 179.45 177.66 3gsh n MET 10 N -4.28 0.34 -0.34 3.15 2.81 -0.72 -4.24 117.12 113.84 3gsh n MET 10 Ca 0.01 -0.19 0.16 0.00 -1.81 0.00 0.00 57.70 55.86 3gsh n MET 10 Cb 0.25 -1.50 0.37 0.00 -0.71 0.00 0.00 33.22 31.63 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 0.47 0.64 0.00 0.03 1.57 -0.90 0.16 116.57 118.54 3gsh h LYS 11 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3gsh h LYS 11 Cb 0.50 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3gsh h LYS 11 CO 0.00 0.42 0.02 -1.35 -0.57 0.00 0.00 179.45 177.97 3gsh h PRO 12 N 0.66 0.00 -0.01 3.15 0.11 -1.81 -1.58 132.00 132.51 3gsh h PRO 12 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 3gsh h PRO 12 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3gsh h PRO 12 CO -0.41 0.00 -0.21 0.00 -0.21 0.00 0.00 178.00 177.17 3gsh h LEU 14 N 1.30 -0.08 -0.91 0.00 5.85 -1.38 -1.06 115.31 119.03 3gsh h LEU 14 Ca 0.00 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 3gsh h LEU 14 Cb 0.49 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3gsh h LEU 14 CO 0.00 -0.02 0.14 0.71 -0.34 0.00 0.00 178.44 178.93 3gsh h THR 15 N 0.06 1.24 -0.18 1.05 1.35 -1.81 -2.19 112.91 112.43 3gsh h THR 15 Ca 0.09 -0.89 -0.00 0.00 -0.55 0.00 0.00 66.41 65.05 3gsh h THR 15 Cb 0.11 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.16 3gsh h THR 15 CO -0.16 0.33 0.10 0.22 -0.25 0.00 0.00 175.52 175.77 3gsh h TYR 16 N 0.90 0.25 0.00 4.73 3.20 -1.61 0.07 116.97 124.51 3gsh h TYR 16 Ca 0.19 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3gsh h TYR 16 Cb 0.33 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.52 3gsh h TYR 16 CO 0.02 0.25 0.00 1.33 -1.64 0.00 0.00 178.16 178.12 3gsh n VAL 17 N -4.90 0.42 -0.58 1.81 0.24 -0.44 -1.58 118.33 113.29 3gsh n VAL 17 Ca -0.04 0.10 0.09 0.00 -2.04 0.00 0.00 64.34 62.45 3gsh n VAL 17 Cb 0.08 -0.79 0.31 0.00 -1.47 0.00 0.00 33.84 31.97 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 -1.28 3.44 0.00 7.34 6.02 -0.85 0.15 117.38 132.20 3gsh n GLN 18 Ca 0.09 -2.74 0.00 0.00 -0.01 0.00 0.00 57.00 54.34 3gsh n GLN 18 Cb 0.15 -1.77 0.00 0.00 1.02 0.00 0.00 30.24 29.64 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 0.86 0.42 3.79 1.08 0.00 -0.61 -4.73 105.19 106.00 3gsh n GLY 19 Ca 0.23 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.16 1.71 0.64 -0.02 0.00 -0.01 -4.98 107.32 103.50 3gsh s GLY 20 Ca 0.00 -1.14 -0.17 0.00 0.00 0.00 0.00 44.72 43.41 3gsh s GLY 20 CO 0.00 -0.30 1.16 -4.14 0.00 0.00 0.00 173.10 169.81 3gsh s PRO 21 N -5.72 2.77 0.00 2.90 0.02 -1.26 -4.35 135.00 129.36 3gsh s PRO 21 Ca 0.73 1.61 0.00 0.00 0.02 0.00 0.00 61.00 63.37 3gsh s PRO 21 Cb -0.06 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3gsh s PRO 21 CO 0.54 -1.31 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 3gsh n GLY 22 N 0.04 -0.49 3.77 0.52 0.00 -1.26 -4.17 105.19 103.60 3gsh n GLY 22 Ca 0.12 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.91 4.56 0.89 1.61 0.04 -1.26 -5.11 135.00 133.83 3gsh s PRO 23 Ca 0.00 1.48 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 3gsh s PRO 23 Cb 0.00 -2.91 0.13 0.00 0.04 0.00 0.00 34.50 31.76 3gsh s PRO 23 CO 0.00 0.23 1.09 -1.54 0.04 0.00 0.00 177.00 176.83 3gsh s SER 24 N -1.40 3.43 0.29 6.66 1.04 -1.26 -4.81 113.70 117.65 3gsh s SER 24 Ca 0.49 1.68 0.04 0.00 0.48 0.00 0.00 55.95 58.64 3gsh s SER 24 Cb -0.23 -2.33 0.73 0.00 0.10 0.00 0.00 66.02 64.29 3gsh s SER 24 CO 0.29 -2.70 1.71 1.23 0.98 0.00 0.00 173.24 174.75 3gsh h GLY 25 N -1.59 1.57 1.50 7.32 0.00 -1.99 -1.48 103.07 108.39 3gsh h GLY 25 Ca -0.48 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 46.52 3gsh h GLY 25 CO 0.51 -0.24 -0.41 0.83 0.00 0.00 0.00 176.54 177.23 3gsh h GLU 26 N 0.44 0.55 0.03 4.80 3.07 -1.93 -0.25 114.58 121.29 3gsh h GLU 26 Ca 0.56 -0.28 -0.00 0.00 -0.50 0.00 0.00 59.36 59.14 3gsh h GLU 26 Cb 1.04 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 3gsh h GLU 26 CO -0.51 0.87 -0.01 0.00 -1.40 0.00 0.00 179.01 177.96 3gsh h ASN 29 N 1.26 0.70 0.16 0.00 -0.73 -0.91 -0.95 115.58 115.11 3gsh h ASN 29 Ca 0.34 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.50 3gsh h ASN 29 Cb -0.11 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.32 3gsh h ASN 29 CO -0.07 0.49 -0.09 1.23 -0.37 0.00 0.00 177.43 178.62 3gsh h GLY 30 N 0.83 -0.25 0.99 1.57 0.00 -0.14 -0.51 103.07 105.56 3gsh h GLY 30 Ca 0.26 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.68 3gsh h GLY 30 CO -0.09 -0.10 0.30 -0.24 0.00 0.00 0.00 176.54 176.41 3gsh h VAL 31 N -0.24 1.17 -0.65 4.60 3.04 -1.22 -2.41 116.25 120.53 3gsh h VAL 31 Ca -0.02 -0.40 0.03 0.00 -1.01 0.00 0.00 66.70 65.29 3gsh h VAL 31 Cb 0.20 0.49 -0.04 0.00 -2.01 0.00 0.00 31.29 29.93 3gsh h VAL 31 CO 0.02 0.18 0.41 -0.09 -1.01 0.00 0.00 177.57 177.08 3gsh h ARG 32 N 0.70 0.78 -0.43 4.17 2.43 -1.10 -0.85 114.38 120.09 3gsh h ARG 32 Ca 0.19 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.39 3gsh h ARG 32 Cb 0.02 -0.18 -0.08 0.00 -0.42 0.00 0.00 29.97 29.31 3gsh h ARG 32 CO -0.03 0.52 -0.09 -0.44 -1.51 0.00 0.00 179.97 178.42 3gsh h ASP 33 N 0.81 -0.35 -0.57 -3.80 5.19 -0.93 -1.99 116.42 114.77 3gsh h ASP 33 Ca 0.26 0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.79 3gsh h ASP 33 Cb 0.00 0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 3gsh h ASP 33 CO -0.10 -0.12 0.36 -0.07 -3.12 0.00 0.00 179.24 176.19 3gsh h LEU 34 N 0.02 0.68 -0.68 1.55 3.38 -1.09 -1.95 115.31 117.21 3gsh h LEU 34 Ca 0.21 -0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3gsh h LEU 34 Cb 0.31 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3gsh h LEU 34 CO -0.42 0.52 0.41 -0.74 0.09 0.00 0.00 178.44 178.29 3gsh h HIS 35 N 0.78 0.75 -0.14 1.13 2.76 -0.87 0.26 115.15 119.81 3gsh h HIS 35 Ca 0.21 0.02 -0.13 0.00 -2.20 0.00 0.00 60.37 58.28 3gsh h HIS 35 Cb -0.05 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.66 3gsh h HIS 35 CO -0.03 0.40 -0.46 -0.91 -1.30 0.00 0.00 177.93 175.63 3gsh h ASN 36 N 0.77 0.38 1.74 3.26 4.21 -1.15 -2.91 115.58 121.89 3gsh h ASN 36 Ca 0.29 -0.18 -0.02 0.00 1.21 0.00 0.00 56.30 57.60 3gsh h ASN 36 Cb 0.11 -0.11 -0.00 0.00 -1.12 0.00 0.00 38.32 37.20 3gsh h ASN 36 CO -0.15 0.79 -0.26 1.56 -1.29 0.00 0.00 177.43 178.09 3gsh h GLN 37 N 0.29 0.00 -2.90 0.81 4.20 -0.97 -3.37 115.11 113.17 3gsh h GLN 37 Ca 0.02 0.00 -0.77 0.00 0.06 0.00 0.00 58.65 57.96 3gsh h GLN 37 Cb 0.93 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.52 3gsh h GLN 37 CO 0.08 0.08 1.77 0.00 -0.67 0.00 0.00 178.83 180.09 3gsh n ALA 38 N -2.14 5.93 0.29 3.87 0.00 0.05 -4.81 120.51 123.70 3gsh n ALA 38 Ca 0.03 -4.38 0.12 0.00 0.00 0.00 0.00 53.44 49.21 3gsh n ALA 38 Cb 0.57 -2.67 0.19 0.00 0.00 0.00 0.00 19.45 17.54 3gsh n ALA 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 3gsh h GLN 39 N 5.06 0.00 -6.16 0.00 3.07 -1.76 -3.40 115.11 111.91 3gsh h GLN 39 Ca 0.48 0.00 -0.50 0.00 0.09 0.00 0.00 58.65 58.72 3gsh h GLN 39 Cb 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.99 3gsh h GLN 39 CO 1.45 0.00 -0.41 -1.54 0.09 0.00 0.00 178.83 178.42 3gsh s SER 40 N -5.72 5.07 0.17 0.06 1.04 -1.26 -5.01 113.70 108.05 3gsh s SER 40 Ca 0.07 -0.69 -0.13 0.00 0.48 0.00 0.00 55.95 55.68 3gsh s SER 40 Cb 0.07 -0.70 0.07 0.00 0.10 0.00 0.00 66.02 65.56 3gsh s SER 40 CO 0.67 -0.54 1.75 0.28 0.98 0.00 0.00 173.24 176.38 3gsh h SER 41 N 1.14 0.74 -0.47 7.02 0.02 -1.99 -0.65 113.55 119.38 3gsh h SER 41 Ca -0.43 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 60.40 3gsh h SER 41 Cb 1.26 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 3gsh h SER 41 CO 0.59 0.67 0.28 1.23 -1.14 0.00 0.00 176.83 178.46 3gsh h GLY 42 N 0.76 0.65 1.00 -3.77 0.00 -1.98 -0.39 103.07 99.35 3gsh h GLY 42 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3gsh h GLY 42 CO -0.02 0.19 0.38 -0.55 0.00 0.00 0.00 176.54 176.54 3gsh h ASP 43 N 0.57 0.79 -0.66 0.19 3.32 -1.87 -1.48 116.42 117.28 3gsh h ASP 43 Ca 0.18 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3gsh h ASP 43 Cb -0.00 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3gsh h ASP 43 CO -0.07 0.64 0.29 0.03 -1.72 0.00 0.00 179.24 178.40 3gsh h ARG 44 N 0.89 0.97 -0.58 3.56 3.08 -0.85 -1.21 114.38 120.24 3gsh h ARG 44 Ca 0.23 -0.16 -0.04 0.00 0.07 0.00 0.00 59.98 60.08 3gsh h ARG 44 Cb -0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3gsh h ARG 44 CO -0.04 0.79 0.20 0.37 -1.07 0.00 0.00 179.97 180.22 3gsh h GLN 45 N 0.93 0.89 -0.33 0.04 4.15 -0.82 -0.97 115.11 118.99 3gsh h GLN 45 Ca 0.22 -0.18 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 3gsh h GLN 45 Cb 0.16 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.71 3gsh h GLN 45 CO -0.02 0.79 0.09 1.15 -1.93 0.00 0.00 178.83 178.91 3gsh h THR 46 N 0.81 1.21 -0.44 2.39 2.02 -0.98 -1.75 112.91 116.16 3gsh h THR 46 Ca 0.19 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.64 3gsh h THR 46 Cb 0.26 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 3gsh h THR 46 CO -0.01 0.24 0.18 0.58 0.37 0.00 0.00 175.52 176.88 3gsh h VAL 47 N 0.38 1.20 -0.34 3.16 2.07 -1.15 0.13 116.25 121.70 3gsh h VAL 47 Ca 0.11 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.08 3gsh h VAL 47 Cb 0.27 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 30.74 3gsh h VAL 47 CO -0.00 0.23 -0.30 0.00 0.02 0.00 0.00 177.57 177.52 3gsh h ASN 49 N -0.25 1.03 -0.62 0.00 2.35 -1.07 -1.02 115.58 116.00 3gsh h ASN 49 Ca 0.16 -0.31 0.07 0.00 -0.55 0.00 0.00 56.30 55.67 3gsh h ASN 49 Cb 0.52 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.55 3gsh h ASN 49 CO -0.49 1.10 0.30 0.00 -1.65 0.00 0.00 177.43 176.69 3gsh h LEU 51 N 0.55 0.22 -0.20 0.00 3.38 -0.51 -0.91 115.31 117.84 3gsh h LEU 51 Ca 0.29 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3gsh h LEU 51 Cb 0.26 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3gsh h LEU 51 CO -0.22 0.60 -0.04 0.50 0.09 0.00 0.00 178.44 179.36 3gsh h LYS 52 N 0.18 0.38 -0.50 1.13 3.64 -0.91 0.16 116.57 120.65 3gsh h LYS 52 Ca 0.02 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.15 3gsh h LYS 52 Cb 0.78 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3gsh h LYS 52 CO 0.06 0.63 -0.12 0.78 -2.27 0.00 0.00 179.45 178.53 3gsh h GLY 53 N 0.10 1.01 0.97 5.01 0.00 -1.21 -1.55 103.07 107.41 3gsh h GLY 53 Ca 0.05 -0.80 -0.05 0.00 0.00 0.00 0.00 47.33 46.53 3gsh h GLY 53 CO 0.02 0.73 0.09 -2.22 0.00 0.00 0.00 176.54 175.16 3gsh h ILE 54 N 0.83 1.25 -0.74 2.60 2.04 -1.11 -1.22 117.51 121.16 3gsh h ILE 54 Ca 0.13 -0.89 0.07 0.00 1.00 0.00 0.00 64.86 65.16 3gsh h ILE 54 Cb 0.66 0.91 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 3gsh h ILE 54 CO 0.05 0.32 0.42 0.00 0.00 0.00 0.00 178.15 178.94 3gsh h ALA 55 N 0.96 1.01 -0.52 1.87 0.00 -0.75 -0.67 119.26 121.16 3gsh h ALA 55 Ca 0.15 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3gsh h ALA 55 Cb 0.37 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3gsh h ALA 55 CO 0.01 0.11 0.34 0.00 0.00 0.00 0.00 179.25 179.71 3gsh h ARG 56 N 0.77 0.68 -0.08 0.00 3.08 -0.90 -3.12 114.38 114.80 3gsh h ARG 56 Ca 0.33 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.34 3gsh h ARG 56 Cb 0.21 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3gsh h ARG 56 CO -0.19 0.45 0.00 0.41 -1.07 0.00 0.00 179.97 179.57 3gsh n GLY 57 N -1.45 0.24 3.64 0.04 0.00 -0.30 -4.85 105.19 102.51 3gsh n GLY 57 Ca 0.05 -0.47 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.91 5.11 0.03 -0.61 1.01 -0.96 -5.03 121.20 118.84 3gsh s ILE 58 Ca 0.35 0.84 -0.30 0.00 0.00 0.00 0.00 60.65 61.54 3gsh s ILE 58 Cb 0.20 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 38.80 3gsh s ILE 58 CO 0.31 0.15 1.51 -2.28 0.00 0.00 0.00 174.94 174.62 3gsh s HIS 59 N 1.93 2.68 -0.82 3.97 5.65 -1.26 -3.49 115.29 123.95 3gsh s HIS 59 Ca 0.21 0.61 -0.03 0.00 0.25 0.00 0.00 55.06 56.10 3gsh s HIS 59 Cb -0.15 -3.79 0.00 0.00 -1.18 0.00 0.00 32.58 27.45 3gsh s HIS 59 CO 0.09 -3.06 0.70 0.09 -0.65 0.00 0.00 174.74 171.91 3gsh n ASN 60 N 5.43 -3.38 -4.72 9.88 3.02 -1.26 -4.92 115.26 119.31 3gsh n ASN 60 Ca 0.14 -0.37 -0.42 0.00 -0.03 0.00 0.00 54.58 53.90 3gsh n ASN 60 Cb 0.42 -3.44 -0.03 0.00 -0.61 0.00 0.00 39.78 36.12 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 -4.92 4.37 -0.51 3.41 2.96 -1.23 -4.53 118.68 118.23 3gsh s LEU 61 Ca 0.18 2.75 -0.21 0.00 -0.22 0.00 0.00 54.13 56.63 3gsh s LEU 61 Cb -0.08 -3.59 0.05 0.00 0.50 0.00 0.00 46.19 43.06 3gsh s LEU 61 CO 0.47 -0.91 0.72 0.21 -1.32 0.00 0.00 176.35 175.52 3gsh s ASN 62 N 1.30 6.27 0.16 3.68 3.84 0.12 -4.95 114.94 125.37 3gsh s ASN 62 Ca 0.73 -0.66 -0.14 0.00 0.21 0.00 0.00 52.86 53.00 3gsh s ASN 62 Cb -0.47 -2.34 0.05 0.00 -0.55 0.00 0.00 41.25 37.95 3gsh s ASN 62 CO 0.32 -0.98 1.77 -0.07 -2.79 0.00 0.00 177.10 175.35 3gsh h LEU 63 N 10.08 0.66 -0.34 3.21 3.38 -1.93 -1.88 115.31 128.49 3gsh h LEU 63 Ca -0.27 -0.10 0.04 0.00 0.09 0.00 0.00 57.88 57.64 3gsh h LEU 63 Cb 1.09 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.63 3gsh h LEU 63 CO 0.99 0.57 0.11 0.78 0.09 0.00 0.00 178.44 180.98 3gsh h ASN 64 N 0.70 0.10 -0.05 -0.43 2.35 -1.96 -1.05 115.58 115.25 3gsh h ASN 64 Ca 0.18 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3gsh h ASN 64 Cb 0.06 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.46 3gsh h ASN 64 CO -0.03 0.10 0.01 0.78 -1.65 0.00 0.00 177.43 176.64 3gsh h ASN 65 N 0.25 0.07 -0.43 5.81 4.21 -1.83 -1.68 115.58 121.98 3gsh h ASN 65 Ca 0.16 -0.24 0.08 0.00 1.21 0.00 0.00 56.30 57.51 3gsh h ASN 65 Cb 0.14 -0.02 -0.07 0.00 -1.12 0.00 0.00 38.32 37.25 3gsh h ASN 65 CO -0.17 0.29 -0.01 0.00 -1.29 0.00 0.00 177.43 176.25 3gsh h ALA 66 N 0.78 0.39 0.00 -0.83 0.00 -1.31 -1.43 119.26 116.86 3gsh h ALA 66 Ca 0.01 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3gsh h ALA 66 Cb 0.25 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3gsh h ALA 66 CO 0.00 -0.40 -0.18 0.00 0.00 0.00 0.00 179.25 178.68 3gsh h ALA 67 N 1.39 1.44 0.00 0.00 0.00 -0.98 -3.06 119.26 118.04 3gsh h ALA 67 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gsh h ALA 67 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3gsh h ALA 67 CO -0.37 0.22 0.00 0.66 0.00 0.00 0.00 179.25 179.76 3gsh h SER 68 N 0.00 0.00 -0.15 0.00 4.64 -0.29 -3.39 113.55 114.35 3gsh h SER 68 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 3gsh h SER 68 Cb 0.38 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.41 3gsh h SER 68 CO 0.02 0.00 -0.27 0.40 -0.87 0.00 0.00 176.83 176.12 3gsh h ILE 69 N 0.00 0.37 -0.34 0.95 2.04 -1.42 -0.48 117.51 118.62 3gsh h ILE 69 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3gsh h ILE 69 Cb 0.80 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3gsh h ILE 69 CO 0.00 0.00 0.12 -0.65 0.00 0.00 0.00 178.15 177.62 3gsh h PRO 70 N -0.32 0.26 -0.44 2.37 0.11 -1.82 -0.05 132.00 132.10 3gsh h PRO 70 Ca 0.11 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.09 3gsh h PRO 70 Cb 0.49 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3gsh h PRO 70 CO -0.34 0.17 -0.17 0.66 -0.21 0.00 0.00 178.00 178.12 3gsh h SER 71 N 0.27 0.91 0.16 -2.05 4.64 -1.70 0.75 113.55 116.52 3gsh h SER 71 Ca 0.15 -0.39 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 3gsh h SER 71 Cb 0.12 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 3gsh h SER 71 CO -0.16 1.09 -0.21 0.11 -0.87 0.00 0.00 176.83 176.79 3gsh h LYS 72 N 0.72 0.11 -0.02 4.77 1.79 -0.86 -2.98 116.57 120.10 3gsh h LYS 72 Ca 0.10 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 3gsh h LYS 72 Cb 0.72 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.36 3gsh h LYS 72 CO 0.06 0.32 -0.13 0.00 -1.08 0.00 0.00 179.45 178.61 3gsh n ASN 74 N 0.40 -3.60 -4.27 0.00 5.03 0.09 -4.99 115.26 107.91 3gsh n ASN 74 Ca 0.14 -0.67 -0.32 0.00 0.87 0.00 0.00 54.58 54.60 3gsh n ASN 74 Cb 0.46 -4.63 -0.16 0.00 -1.02 0.00 0.00 39.78 34.43 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 -3.41 2.18 -1.38 2.41 1.01 -0.25 -5.04 120.40 115.93 3gsh s VAL 75 Ca 0.29 -1.01 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3gsh s VAL 75 Cb -0.14 -1.81 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3gsh s VAL 75 CO 0.77 0.57 2.79 0.59 0.00 0.00 0.00 175.10 179.82 3gsh n ASN 76 N 3.11 8.24 -4.70 3.32 3.02 -1.26 -4.41 115.26 122.58 3gsh n ASN 76 Ca -0.18 -2.79 -0.42 0.00 -0.03 0.00 0.00 54.58 51.16 3gsh n ASN 76 Cb 0.52 -1.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.20 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 0.75 3.24 -0.13 2.41 1.01 -1.26 -4.92 120.40 121.51 3gsh s VAL 77 Ca 0.64 0.73 0.01 0.00 0.00 0.00 0.00 61.98 63.36 3gsh s VAL 77 Cb 0.20 -3.47 0.15 0.00 0.00 0.00 0.00 36.38 33.26 3gsh s VAL 77 CO -0.08 0.01 1.43 -0.81 0.00 0.00 0.00 175.10 175.66 3gsh n PRO 78 N 5.14 1.34 -3.67 2.72 -0.04 -1.26 -4.79 135.00 134.43 3gsh n PRO 78 Ca 0.14 -0.76 -0.00 0.00 -0.04 0.00 0.00 63.50 62.84 3gsh n PRO 78 Cb 0.41 -1.30 -0.01 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.85 -0.07 -0.23 0.54 -0.85 -1.26 -4.81 117.35 109.82 3gsh s TYR 79 Ca 0.15 -0.11 -0.12 0.00 -0.52 0.00 0.00 57.07 56.47 3gsh s TYR 79 Cb 0.12 0.58 -0.05 0.00 0.38 0.00 0.00 41.96 42.99 3gsh s TYR 79 CO 0.02 -0.47 0.24 0.99 -1.52 0.00 0.00 175.55 174.81 3gsh s THR 80 N -2.71 5.31 -0.09 -3.49 2.01 -1.26 -5.04 115.64 110.37 3gsh s THR 80 Ca 0.14 0.36 -0.30 0.00 0.31 0.00 0.00 61.69 62.20 3gsh s THR 80 Cb 0.03 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 3gsh s THR 80 CO -0.02 0.32 1.61 -0.63 -0.69 0.00 0.00 174.62 175.21 3gsh s ILE 81 N 1.11 3.67 0.26 1.82 1.01 -1.26 -4.69 121.20 123.13 3gsh s ILE 81 Ca 0.11 0.81 -0.21 0.00 0.00 0.00 0.00 60.65 61.36 3gsh s ILE 81 Cb -0.14 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.82 3gsh s ILE 81 CO 0.05 -0.10 0.79 -0.94 0.00 0.00 0.00 174.94 174.75 3gsh s SER 82 N 3.34 -0.20 0.00 3.58 1.04 -1.26 -3.36 113.70 116.84 3gsh s SER 82 Ca 0.71 -0.62 0.17 0.00 0.48 0.00 0.00 55.95 56.69 3gsh s SER 82 Cb -0.31 0.68 0.97 0.00 0.10 0.00 0.00 66.02 67.46 3gsh s SER 82 CO 0.28 -1.27 1.45 -2.65 0.98 0.00 0.00 173.24 172.03 3gsh n PRO 83 N -0.48 0.45 -2.61 4.02 -0.02 -1.26 -3.88 135.00 131.22 3gsh n PRO 83 Ca -0.05 0.04 -0.12 0.00 -2.02 0.00 0.00 63.50 61.35 3gsh n PRO 83 Cb 0.59 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.60 3gsh n PRO 83 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3gsh n ASP 84 N -1.09 2.42 -4.77 2.55 2.03 -1.26 -4.79 116.55 111.65 3gsh n ASP 84 Ca 0.11 -2.86 -0.39 0.00 0.52 0.00 0.00 54.79 52.17 3gsh n ASP 84 Cb 0.08 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.96 3gsh n ASP 84 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3gsh s ILE 85 N -3.88 3.36 -0.69 5.18 1.01 -1.25 -4.97 121.20 119.96 3gsh s ILE 85 Ca 0.33 1.21 -0.23 0.00 0.00 0.00 0.00 60.65 61.97 3gsh s ILE 85 Cb 0.42 -3.71 0.07 0.00 0.01 0.00 0.00 42.46 39.24 3gsh s ILE 85 CO -0.02 0.17 1.03 -0.62 0.00 0.00 0.00 174.94 175.49 3gsh s ASP 86 N -1.09 6.21 0.00 3.58 2.15 -1.26 -4.89 116.67 121.36 3gsh s ASP 86 Ca 0.52 -1.00 0.22 0.00 0.43 0.00 0.00 52.55 52.73 3gsh s ASP 86 Cb -0.30 -2.44 1.00 0.00 -0.30 0.00 0.00 42.92 40.88 3gsh s ASP 86 CO 0.38 -1.47 1.68 0.00 -0.17 0.00 0.00 175.17 175.59 3gsh h SER 88 N 1.42 0.00 -0.14 0.00 4.64 -1.97 -3.40 113.55 114.10 3gsh h SER 88 Ca 0.00 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.08 3gsh h SER 88 Cb 0.31 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.31 3gsh h SER 88 CO 0.00 0.07 -0.57 0.54 -0.87 0.00 0.00 176.83 175.99 3gsh n ARG 89 N -2.34 1.95 -2.35 4.77 1.74 -1.25 -5.02 116.66 114.16 3gsh n ARG 89 Ca 0.03 -3.45 -0.43 0.00 -0.77 0.00 0.00 57.85 53.22 3gsh n ARG 89 Cb 0.47 -1.72 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 3gsh n ARG 89 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gsh s ILE 90 N -3.45 3.96 0.00 0.55 1.01 -1.26 -5.14 121.20 116.88 3gsh s ILE 90 Ca 0.40 1.03 0.00 0.00 0.00 0.00 0.00 60.65 62.09 3gsh s ILE 90 Cb 0.38 -4.14 0.00 0.00 0.01 0.00 0.00 42.46 38.71 3gsh s ILE 90 CO -0.05 -0.61 0.00 -1.22 0.00 0.00 0.00 174.94 173.06