#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fhq s LYS 4 N 0.00 4.03 0.00 -0.78 3.01 -1.26 -5.14 119.74 119.60 2fhq s LYS 4 Ca 0.00 0.50 0.00 0.00 -1.01 0.00 0.00 55.97 55.46 2fhq s LYS 4 Cb 0.00 -3.24 0.00 0.00 -1.01 0.00 0.00 37.83 33.58 2fhq s LYS 4 CO 0.00 0.63 0.00 0.25 0.51 0.00 0.00 175.35 176.74 2fhq n THR 5 N 1.95 0.00 0.00 2.17 -2.24 -1.26 -4.77 114.28 110.13 2fhq n THR 5 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 2fhq n THR 5 Cb 0.52 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2fhq n THR 5 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2fhq n LYS 7 N 0.00 0.00 -0.24 -0.78 4.81 -1.26 -1.16 118.16 119.53 2fhq n LYS 7 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.39 2fhq n LYS 7 Cb 0.00 0.00 0.11 0.00 0.02 0.00 0.00 35.03 35.16 2fhq n LYS 7 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2fhq h GLU 8 N 0.00 1.08 -0.74 1.64 5.08 -2.00 -0.91 114.58 118.73 2fhq h GLU 8 Ca 0.00 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2fhq h GLU 8 Cb 0.00 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 2fhq h GLU 8 CO 0.00 0.90 0.33 0.87 -1.00 0.00 0.00 179.01 180.11 2fhq h LYS 9 N 1.05 1.09 -0.66 2.33 1.79 -1.44 -2.45 116.57 118.28 2fhq h LYS 9 Ca 0.24 -0.18 -0.08 0.00 -2.18 0.00 0.00 60.65 58.45 2fhq h LYS 9 Cb 0.24 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.68 2fhq h LYS 9 CO -0.02 0.87 0.11 0.00 -1.08 0.00 0.00 179.45 179.33 2fhq h ALA 10 N 1.16 0.94 -0.34 3.86 0.00 -1.69 -1.21 119.26 121.99 2fhq h ALA 10 Ca 0.25 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.91 2fhq h ALA 10 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2fhq h ALA 10 CO -0.03 0.66 0.19 0.28 0.00 0.00 0.00 179.25 180.35 2fhq h VAL 11 N 1.02 1.02 -0.60 0.00 2.07 -1.04 -0.21 116.25 118.52 2fhq h VAL 11 Ca 0.20 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.64 2fhq h VAL 11 Cb 0.43 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 2fhq h VAL 11 CO 0.01 0.07 0.32 -0.33 0.02 0.00 0.00 177.57 177.67 2fhq h GLU 12 N 0.39 0.60 -0.41 1.57 5.08 -1.22 -1.39 114.58 119.19 2fhq h GLU 12 Ca 0.14 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2fhq h GLU 12 Cb 0.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 2fhq h GLU 12 CO -0.07 0.39 0.26 1.25 -1.00 0.00 0.00 179.01 179.84 2fhq h LEU 13 N 0.61 0.43 -0.36 1.33 7.12 -0.81 -3.06 115.31 120.57 2fhq h LEU 13 Ca 0.26 -0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.25 2fhq h LEU 13 Cb 0.15 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.16 2fhq h LEU 13 CO -0.16 0.31 0.16 0.25 -0.13 0.00 0.00 178.44 178.87 2fhq h LEU 14 N 0.52 0.49 -2.03 2.25 5.85 -0.59 -1.67 115.31 120.13 2fhq h LEU 14 Ca 0.15 -0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.79 2fhq h LEU 14 Cb -0.03 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 2fhq h LEU 14 CO -0.05 0.50 0.36 1.56 -0.34 0.00 0.00 178.44 180.47 2fhq h GLN 15 N 0.45 0.00 0.00 1.25 4.20 -1.17 0.24 115.11 120.08 2fhq h GLN 15 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2fhq h GLN 15 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2fhq h GLN 15 CO -0.01 0.00 -0.72 0.87 -0.67 0.00 0.00 178.83 178.30 2fhq h LYS 16 N 0.00 0.00 -5.47 1.46 1.57 -1.26 -3.46 116.57 109.40 2fhq h LYS 16 Ca 0.10 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.27 2fhq h LYS 16 Cb 0.82 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.03 2fhq h LYS 16 CO -0.00 0.00 -0.38 0.00 -0.57 0.00 0.00 179.45 178.50 2fhq n GLU 18 N 3.30 0.57 -5.00 0.00 -0.58 -1.26 -4.88 120.64 112.78 2fhq n GLU 18 Ca -0.14 -0.06 -0.28 0.00 -0.42 0.00 0.00 57.16 56.26 2fhq n GLU 18 Cb 0.52 -1.63 -0.15 0.00 -0.57 0.00 0.00 31.44 29.61 2fhq n GLU 18 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2fhq s VAL 19 N -3.40 1.78 0.23 2.62 1.01 -1.26 0.24 120.40 121.61 2fhq s VAL 19 Ca -0.03 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 60.94 2fhq s VAL 19 Cb 0.13 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 2fhq s VAL 19 CO 0.85 0.43 0.01 0.68 0.00 0.00 0.00 175.10 177.08 2fhq s VAL 20 N -0.60 0.92 -0.17 2.92 -7.23 -1.26 -4.81 120.40 110.17 2fhq s VAL 20 Ca 0.09 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.21 2fhq s VAL 20 Cb -0.09 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.49 2fhq s VAL 20 CO -0.00 -0.31 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.53 2fhq s THR 21 N -3.50 3.53 -0.11 5.32 2.01 -0.00 -4.36 115.64 118.54 2fhq s THR 21 Ca 0.29 -0.47 0.01 0.00 0.31 0.00 0.00 61.69 61.83 2fhq s THR 21 Cb 0.06 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 70.00 2fhq s THR 21 CO 0.09 0.48 -0.14 -0.22 -0.69 0.00 0.00 174.62 174.13 2fhq s LEU 22 N 0.72 2.70 -0.06 4.42 2.96 0.35 -1.05 118.68 128.71 2fhq s LEU 22 Ca -0.03 -0.31 0.04 0.00 -0.22 0.00 0.00 54.13 53.61 2fhq s LEU 22 Cb -0.15 -1.59 -0.02 0.00 0.50 0.00 0.00 46.19 44.93 2fhq s LEU 22 CO 0.02 0.20 -0.16 0.00 -1.32 0.00 0.00 176.35 175.10 2fhq s ALA 23 N 0.11 2.58 0.47 5.97 0.00 0.12 -0.30 121.76 130.71 2fhq s ALA 23 Ca -0.06 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 50.97 2fhq s ALA 23 Cb -0.15 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.02 2fhq s ALA 23 CO 0.05 0.51 0.23 -1.54 0.00 0.00 0.00 175.76 175.00 2fhq s SER 24 N -0.55 4.46 -0.16 0.00 1.04 -1.12 -2.22 113.70 115.14 2fhq s SER 24 Ca 0.08 -1.22 -0.01 0.00 0.48 0.00 0.00 55.95 55.27 2fhq s SER 24 Cb -0.11 -0.02 -0.01 0.00 0.10 0.00 0.00 66.02 65.98 2fhq s SER 24 CO 0.01 -0.78 -0.11 -0.69 0.98 0.00 0.00 173.24 172.65 2fhq s VAL 25 N -2.70 3.03 0.92 5.02 1.01 -1.26 -0.57 120.40 125.85 2fhq s VAL 25 Ca 0.33 -0.65 -0.15 0.00 0.00 0.00 0.00 61.98 61.52 2fhq s VAL 25 Cb 0.01 -2.31 0.16 0.00 0.00 0.00 0.00 36.38 34.25 2fhq s VAL 25 CO 0.19 0.50 1.26 0.54 0.00 0.00 0.00 175.10 177.59 2fhq s ASN 26 N 0.76 3.46 0.61 3.32 4.22 -0.08 -4.79 114.94 122.44 2fhq s ASN 26 Ca -0.05 0.48 0.38 0.00 -2.14 0.00 0.00 52.86 51.53 2fhq s ASN 26 Cb -0.15 -0.69 2.00 0.00 1.28 0.00 0.00 41.25 43.68 2fhq s ASN 26 CO 0.01 -2.54 2.24 0.07 -2.04 0.00 0.00 177.10 174.85 2fhq h LYS 27 N -1.50 0.00 -0.03 3.55 2.10 -1.92 -1.27 116.57 117.49 2fhq h LYS 27 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 2fhq h LYS 27 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 2fhq h LYS 27 CO 0.48 0.02 0.00 0.39 -2.00 0.00 0.00 179.45 178.34 2fhq n GLU 28 N -3.29 1.52 -0.37 0.07 1.02 -1.26 -4.92 120.64 113.40 2fhq n GLU 28 Ca -0.02 -0.76 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 2fhq n GLU 28 Cb 0.14 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.10 2fhq n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fhq n GLY 29 N 1.12 0.76 3.72 0.62 0.00 -0.48 -5.06 105.19 105.87 2fhq n GLY 29 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 2fhq n GLY 29 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2fhq s TYR 30 N -2.32 3.59 0.34 1.61 2.02 -1.26 -4.81 117.35 116.52 2fhq s TYR 30 Ca 0.00 1.24 -0.25 0.00 -0.37 0.00 0.00 57.07 57.68 2fhq s TYR 30 Cb 0.00 -2.77 -0.10 0.00 -0.40 0.00 0.00 41.96 38.69 2fhq s TYR 30 CO 0.00 0.13 0.97 -1.25 -1.57 0.00 0.00 175.55 173.82 2fhq s PRO 31 N 0.65 4.48 -0.43 -1.71 0.04 -1.26 -0.91 135.00 135.87 2fhq s PRO 31 Ca 0.36 1.36 0.02 0.00 0.04 0.00 0.00 61.00 62.78 2fhq s PRO 31 Cb -0.18 -2.72 0.13 0.00 0.04 0.00 0.00 34.50 31.78 2fhq s PRO 31 CO 0.18 0.18 0.23 1.03 0.04 0.00 0.00 177.00 178.65 2fhq s ARG 32 N -2.20 1.23 0.11 4.56 0.52 0.26 -4.94 118.95 118.48 2fhq s ARG 32 Ca 0.52 -1.92 -0.30 0.00 -0.52 0.00 0.00 55.73 53.51 2fhq s ARG 32 Cb -0.19 -2.28 -0.06 0.00 0.52 0.00 0.00 34.95 32.94 2fhq s ARG 32 CO 0.24 -1.15 1.01 -1.25 0.02 0.00 0.00 175.30 174.17 2fhq s PRO 33 N 0.46 4.64 -0.04 3.54 0.04 -1.26 -2.80 135.00 139.57 2fhq s PRO 33 Ca 0.17 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.71 2fhq s PRO 33 Cb -0.24 -3.36 0.01 0.00 0.04 0.00 0.00 34.50 30.95 2fhq s PRO 33 CO -0.01 0.11 0.10 0.54 0.04 0.00 0.00 177.00 177.78 2fhq s VAL 34 N 0.16 -0.00 1.07 -0.36 0.11 0.59 -4.94 120.40 117.03 2fhq s VAL 34 Ca 0.49 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.40 2fhq s VAL 34 Cb -0.25 -0.15 0.23 0.00 -1.53 0.00 0.00 36.38 34.67 2fhq s VAL 34 CO 0.31 0.00 1.09 -2.16 -3.33 0.00 0.00 175.10 171.01 2fhq s PRO 35 N 0.07 -0.16 -0.09 1.54 0.04 -1.26 -0.50 135.00 134.65 2fhq s PRO 35 Ca -0.00 0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2fhq s PRO 35 Cb -0.01 -1.68 -0.03 0.00 0.04 0.00 0.00 34.50 32.82 2fhq s PRO 35 CO 0.00 -3.10 -0.07 -1.12 0.04 0.00 0.00 177.00 172.75 2fhq s SER 37 N -3.47 4.59 -0.43 6.66 0.01 -1.26 -4.91 113.70 114.89 2fhq s SER 37 Ca 0.67 -0.08 -0.25 0.00 1.31 0.00 0.00 55.95 57.60 2fhq s SER 37 Cb -0.17 -1.30 0.02 0.00 0.21 0.00 0.00 66.02 64.78 2fhq s SER 37 CO 0.58 0.31 0.91 -0.75 0.41 0.00 0.00 173.24 174.69 2fhq s LYS 38 N -0.49 3.63 -0.01 12.44 2.20 0.14 -4.57 119.74 133.08 2fhq s LYS 38 Ca 0.07 0.27 0.01 0.00 -0.36 0.00 0.00 55.97 55.97 2fhq s LYS 38 Cb -0.12 -3.88 -0.26 0.00 -1.51 0.00 0.00 37.83 32.06 2fhq s LYS 38 CO 0.02 -1.11 0.81 -0.84 -0.36 0.00 0.00 175.35 173.87 2fhq h ILE 39 N 5.98 1.10 -2.67 5.43 3.07 -1.29 -3.47 117.51 125.66 2fhq h ILE 39 Ca -0.24 -2.80 0.02 0.00 1.55 0.00 0.00 64.86 63.40 2fhq h ILE 39 Cb 1.08 2.67 -0.14 0.00 -0.27 0.00 0.00 36.82 40.16 2fhq h ILE 39 CO 1.00 0.77 0.31 0.00 -1.05 0.00 0.00 178.15 179.18 2fhq s ALA 40 N -2.62 -1.69 -0.06 0.16 0.00 -1.19 -5.01 121.76 111.35 2fhq s ALA 40 Ca -0.08 0.74 -0.14 0.00 0.00 0.00 0.00 51.96 52.48 2fhq s ALA 40 Cb 0.07 0.64 0.03 0.00 0.00 0.00 0.00 23.12 23.86 2fhq s ALA 40 CO 0.84 -0.71 0.32 0.00 0.00 0.00 0.00 175.76 176.21 2fhq s ALA 41 N -3.31 -0.81 -0.38 0.00 0.00 -1.26 -0.36 121.76 115.63 2fhq s ALA 41 Ca 0.01 0.58 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 2fhq s ALA 41 Cb -0.01 -0.17 0.08 0.00 0.00 0.00 0.00 23.12 23.02 2fhq s ALA 41 CO -0.10 -0.22 0.17 -1.21 0.00 0.00 0.00 175.76 174.40 2fhq s GLU 42 N -0.75 2.37 4.30 0.00 2.02 -0.05 -4.99 118.70 121.59 2fhq s GLU 42 Ca -0.08 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.39 2fhq s GLU 42 Cb -0.04 -3.56 0.00 0.00 0.10 0.00 0.00 34.13 30.63 2fhq s GLU 42 CO 0.03 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 174.82 2fhq n GLY 43 N 4.74 2.91 0.79 -1.39 0.00 -1.26 -1.63 105.19 109.35 2fhq n GLY 43 Ca -0.08 -0.13 0.08 0.00 0.00 0.00 0.00 46.02 45.89 2fhq n GLY 43 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2fhq n ILE 44 N 0.00 0.59 0.04 -0.61 -5.35 -1.26 -4.70 119.36 108.07 2fhq n ILE 44 Ca 0.00 -0.80 -0.20 0.00 -0.27 0.00 0.00 62.75 61.48 2fhq n ILE 44 Cb 0.00 0.84 -0.10 0.00 -1.74 0.00 0.00 39.64 38.64 2fhq n ILE 44 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2fhq h SER 45 N 2.97 0.91 -3.56 7.28 0.02 -1.68 -3.42 113.55 116.07 2fhq h SER 45 Ca 0.00 -0.73 -0.40 0.00 -0.84 0.00 0.00 61.79 59.82 2fhq h SER 45 Cb 0.76 -0.28 -0.33 0.00 0.14 0.00 0.00 62.40 62.69 2fhq h SER 45 CO 0.00 1.53 -0.77 -0.89 -1.14 0.00 0.00 176.83 175.56 2fhq s THR 46 N -3.33 0.57 -0.04 -2.27 2.01 -0.93 -1.83 115.64 109.81 2fhq s THR 46 Ca -0.10 -0.18 0.02 0.00 0.31 0.00 0.00 61.69 61.74 2fhq s THR 46 Cb 0.07 -0.57 0.02 0.00 0.01 0.00 0.00 72.50 72.03 2fhq s THR 46 CO 0.92 0.22 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.37 2fhq s ILE 47 N 0.68 0.67 0.29 1.82 1.01 -0.12 -0.87 121.20 124.67 2fhq s ILE 47 Ca -0.09 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.41 2fhq s ILE 47 Cb -0.12 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2fhq s ILE 47 CO 0.00 0.24 0.16 0.26 0.00 0.00 0.00 174.94 175.61 2fhq s TRP 48 N 0.72 2.90 0.07 3.97 0.52 0.51 -0.58 118.94 127.05 2fhq s TRP 48 Ca -0.11 -0.23 -0.06 0.00 0.02 0.00 0.00 56.10 55.73 2fhq s TRP 48 Cb -0.13 -1.48 -0.02 0.00 -1.15 0.00 0.00 33.47 30.69 2fhq s TRP 48 CO 0.01 0.44 0.10 -1.54 0.02 0.00 0.00 176.95 175.98 2fhq s SER 50 N -3.84 0.26 0.20 2.95 1.04 -1.26 -0.84 113.70 112.21 2fhq s SER 50 Ca 0.35 -0.78 -0.23 0.00 0.48 0.00 0.00 55.95 55.77 2fhq s SER 50 Cb -0.06 0.28 0.05 0.00 0.10 0.00 0.00 66.02 66.39 2fhq s SER 50 CO 0.24 -0.67 0.84 0.28 0.98 0.00 0.00 173.24 174.91 2fhq s THR 51 N -3.81 0.00 0.47 2.02 -1.32 -0.64 -4.88 115.64 107.49 2fhq s THR 51 Ca 0.05 -0.73 -0.21 0.00 -1.21 0.00 0.00 61.69 59.59 2fhq s THR 51 Cb 0.06 -1.89 -0.08 0.00 -1.51 0.00 0.00 72.50 69.07 2fhq s THR 51 CO -0.10 0.00 1.05 -0.83 -2.21 0.00 0.00 174.62 172.53 2fhq s GLY 52 N -2.90 2.57 0.59 6.08 0.00 -1.26 -2.21 107.32 110.18 2fhq s GLY 52 Ca 0.11 0.65 0.34 0.00 0.00 0.00 0.00 44.72 45.82 2fhq s GLY 52 CO 0.03 0.99 2.20 0.00 0.00 0.00 0.00 173.10 176.32 2fhq h ALA 53 N 1.71 1.20 -0.33 3.20 0.00 -1.16 -2.14 119.26 121.74 2fhq h ALA 53 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2fhq h ALA 53 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2fhq h ALA 53 CO 0.59 0.05 0.00 -3.47 0.00 0.00 0.00 179.25 176.42 2fhq n ASP 54 N -3.42 3.64 -4.77 0.00 2.03 -1.26 -4.80 116.55 107.97 2fhq n ASP 54 Ca -0.02 -2.61 -0.33 0.00 0.52 0.00 0.00 54.79 52.36 2fhq n ASP 54 Cb 0.16 -0.44 0.05 0.00 -0.72 0.00 0.00 41.12 40.18 2fhq n ASP 54 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2fhq s SER 55 N -1.49 5.02 0.28 1.67 1.04 -0.81 -4.84 113.70 114.56 2fhq s SER 55 Ca 0.36 1.98 -0.01 0.00 0.48 0.00 0.00 55.95 58.76 2fhq s SER 55 Cb 0.26 -2.55 0.47 0.00 0.10 0.00 0.00 66.02 64.30 2fhq s SER 55 CO 0.13 -1.69 1.88 -0.07 0.98 0.00 0.00 173.24 174.46 2fhq h LEU 56 N -0.13 0.99 -0.06 2.42 3.38 -1.96 -1.15 115.31 118.80 2fhq h LEU 56 Ca -0.46 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.55 2fhq h LEU 56 Cb 1.24 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2fhq h LEU 56 CO 0.54 0.61 -0.07 0.11 0.09 0.00 0.00 178.44 179.71 2fhq h LYS 57 N 1.11 -0.10 -0.55 1.13 1.79 -1.94 -0.10 116.57 117.91 2fhq h LYS 57 Ca 0.44 0.01 0.05 0.00 -2.18 0.00 0.00 60.65 58.97 2fhq h LYS 57 Cb 0.25 0.02 -0.05 0.00 -1.58 0.00 0.00 32.23 30.87 2fhq h LYS 57 CO -0.19 -0.06 0.28 1.15 -1.08 0.00 0.00 179.45 179.55 2fhq h THR 58 N -0.10 0.94 -0.25 -0.16 2.02 -1.67 -1.10 112.91 112.58 2fhq h THR 58 Ca 0.05 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2fhq h THR 58 Cb 0.17 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.93 2fhq h THR 58 CO -0.12 0.10 0.17 0.40 0.37 0.00 0.00 175.52 176.43 2fhq h ILE 59 N 0.53 1.07 -0.22 3.11 2.04 -0.88 -1.73 117.51 121.43 2fhq h ILE 59 Ca 0.25 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 66.03 2fhq h ILE 59 Cb 0.17 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 2fhq h ILE 59 CO -0.18 0.06 -0.04 0.44 0.00 0.00 0.00 178.15 178.44 2fhq h ASP 60 N 0.34 -0.17 0.97 1.72 3.32 -0.68 -3.06 116.42 118.86 2fhq h ASP 60 Ca 0.09 0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 2fhq h ASP 60 Cb -0.04 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 2fhq h ASP 60 CO -0.02 -0.06 -0.27 -0.26 -1.72 0.00 0.00 179.24 176.91 2fhq h PHE 61 N 0.02 0.00 0.00 4.55 0.04 -0.91 0.10 116.94 120.73 2fhq h PHE 61 Ca 0.10 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.85 2fhq h PHE 61 Cb 0.15 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.30 2fhq h PHE 61 CO -0.22 0.27 -0.13 -0.07 -0.60 0.00 0.00 178.31 177.57 2fhq h LEU 62 N 0.00 0.00 0.00 1.54 3.38 -1.21 -3.23 115.31 115.79 2fhq h LEU 62 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2fhq h LEU 62 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2fhq h LEU 62 CO 0.04 0.13 -1.51 -1.54 0.09 0.00 0.00 178.44 175.65 2fhq n SER 63 N -3.94 2.55 -3.53 -0.43 3.41 -0.85 -4.93 113.62 105.90 2fhq n SER 63 Ca -0.02 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.36 2fhq n SER 63 Cb 0.22 1.43 -0.14 0.00 -0.26 0.00 0.00 64.21 65.46 2fhq n SER 63 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2fhq s ASN 64 N -3.31 2.22 0.01 4.04 3.84 0.29 -5.03 114.94 117.01 2fhq s ASN 64 Ca -0.04 -0.65 0.21 0.00 0.21 0.00 0.00 52.86 52.59 2fhq s ASN 64 Cb 0.07 0.02 0.89 0.00 -0.55 0.00 0.00 41.25 41.68 2fhq s ASN 64 CO 0.44 -0.37 1.67 -0.81 -2.79 0.00 0.00 177.10 175.25 2fhq n PRO 65 N 5.29 0.01 -2.23 0.43 -0.04 -1.24 -3.99 135.00 133.23 2fhq n PRO 65 Ca -0.06 0.15 -0.42 0.00 -0.04 0.00 0.00 63.50 63.14 2fhq n PRO 65 Cb 0.47 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 2fhq n PRO 65 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2fhq s LYS 66 N -3.01 4.35 0.12 0.54 1.02 -1.26 -0.87 119.74 120.63 2fhq s LYS 66 Ca 0.10 2.01 0.01 0.00 0.02 0.00 0.00 55.97 58.10 2fhq s LYS 66 Cb 0.13 -3.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.14 2fhq s LYS 66 CO 0.39 -0.37 -0.01 0.00 -0.92 0.00 0.00 175.35 174.43 2fhq s ALA 67 N 0.96 0.99 0.01 5.17 0.00 0.42 -4.19 121.76 125.11 2fhq s ALA 67 Ca 0.62 -1.43 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2fhq s ALA 67 Cb -0.35 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.23 2fhq s ALA 67 CO 0.31 -0.34 -0.04 0.20 0.00 0.00 0.00 175.76 175.89 2fhq s GLY 68 N -3.07 0.22 -0.03 0.00 0.00 -0.94 -1.83 107.32 101.67 2fhq s GLY 68 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 44.72 44.61 2fhq s GLY 68 CO -0.01 -0.28 0.05 -2.27 0.00 0.00 0.00 173.10 170.59 2fhq s LEU 69 N -0.44 1.09 0.17 0.66 0.20 -0.48 0.10 118.68 119.98 2fhq s LEU 69 Ca -0.02 0.08 0.05 0.00 0.69 0.00 0.00 54.13 54.93 2fhq s LEU 69 Cb -0.03 0.01 -0.05 0.00 -0.43 0.00 0.00 46.19 45.69 2fhq s LEU 69 CO -0.00 -0.12 -0.09 0.00 -0.29 0.00 0.00 176.35 175.85 2fhq s PHE 71 N -3.31 -0.30 -0.14 0.00 -0.71 -0.57 -0.82 117.98 112.13 2fhq s PHE 71 Ca 0.20 0.21 -0.11 0.00 -1.04 0.00 0.00 56.93 56.19 2fhq s PHE 71 Cb 0.03 0.26 0.04 0.00 -1.21 0.00 0.00 43.02 42.14 2fhq s PHE 71 CO 0.03 -0.62 0.35 1.14 -1.34 0.00 0.00 175.22 174.78 2fhq s GLN 72 N -2.78 0.39 -0.21 1.99 -2.07 -1.26 -1.07 119.66 114.65 2fhq s GLN 72 Ca -0.03 0.54 -0.04 0.00 -1.82 0.00 0.00 55.36 54.01 2fhq s GLN 72 Cb -0.00 0.14 0.10 0.00 -1.09 0.00 0.00 33.01 32.16 2fhq s GLN 72 CO -0.05 -0.07 0.30 -2.00 -1.32 0.00 0.00 175.29 172.15 2fhq s GLU 73 N 0.46 0.25 -0.70 9.60 2.12 -0.25 -4.98 118.70 125.19 2fhq s GLU 73 Ca -0.02 0.47 -0.04 0.00 0.36 0.00 0.00 54.97 55.74 2fhq s GLU 73 Cb -0.04 -0.64 -0.04 0.00 0.26 0.00 0.00 34.13 33.67 2fhq s GLU 73 CO -0.02 -0.56 0.62 1.63 -0.54 0.00 0.00 175.26 176.38 2fhq n LYS 74 N 5.35 -1.49 0.00 4.30 5.02 -1.26 -2.93 118.16 127.14 2fhq n LYS 74 Ca -0.05 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2fhq n LYS 74 Cb 0.50 -4.45 0.00 0.00 -0.02 0.00 0.00 35.03 31.06 2fhq n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2fhq n GLY 75 N -1.33 2.22 3.69 0.72 0.00 -1.26 -4.96 105.19 104.27 2fhq n GLY 75 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 2fhq n GLY 75 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2fhq s ASP 76 N -2.17 6.36 0.10 1.61 1.01 -1.15 -4.86 116.67 117.57 2fhq s ASP 76 Ca 0.00 0.42 0.04 0.00 0.71 0.00 0.00 52.55 53.71 2fhq s ASP 76 Cb 0.00 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.71 2fhq s ASP 76 CO 0.00 0.02 -0.10 -0.94 0.21 0.00 0.00 175.17 174.36 2fhq s SER 77 N 0.83 1.48 -0.03 0.27 1.04 -0.57 -1.09 113.70 115.63 2fhq s SER 77 Ca 0.15 -0.85 0.01 0.00 0.48 0.00 0.00 55.95 55.74 2fhq s SER 77 Cb -0.14 0.01 0.02 0.00 0.10 0.00 0.00 66.02 66.01 2fhq s SER 77 CO 0.05 -0.28 -0.03 -0.69 0.98 0.00 0.00 173.24 173.27 2fhq s VAL 78 N -2.63 0.37 -0.13 5.02 1.01 -0.24 -0.89 120.40 122.92 2fhq s VAL 78 Ca 0.07 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.99 2fhq s VAL 78 Cb -0.02 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.98 2fhq s VAL 78 CO -0.00 0.16 -0.16 0.00 0.00 0.00 0.00 175.10 175.10 2fhq s ALA 79 N 0.62 1.85 0.00 5.51 0.00 0.14 -1.52 121.76 128.37 2fhq s ALA 79 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2fhq s ALA 79 Cb -0.10 -0.93 0.00 0.00 0.00 0.00 0.00 23.12 22.09 2fhq s ALA 79 CO -0.00 -0.15 0.00 1.28 0.00 0.00 0.00 175.76 176.88 2fhq n LEU 80 N 4.33 0.00 0.00 0.00 4.32 0.17 -0.11 117.00 125.71 2fhq n LEU 80 Ca -0.19 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.80 2fhq n LEU 80 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 2fhq n LEU 80 CO 0.24 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 2fhq n GLY 82 N 5.00 0.68 3.23 -0.72 0.00 -0.76 -1.38 105.19 111.25 2fhq n GLY 82 Ca 0.00 -1.88 -0.20 0.00 0.00 0.00 0.00 46.02 43.94 2fhq n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2fhq s GLU 83 N -1.30 0.97 -0.15 1.61 8.01 -0.16 -0.44 118.70 127.24 2fhq s GLU 83 Ca 0.00 -1.09 -0.03 0.00 0.01 0.00 0.00 54.97 53.86 2fhq s GLU 83 Cb 0.00 -1.05 -0.03 0.00 -4.31 0.00 0.00 34.13 28.74 2fhq s GLU 83 CO 0.00 0.23 -0.05 0.08 0.01 0.00 0.00 175.26 175.54 2fhq s VAL 84 N -1.40 3.82 -0.17 2.63 1.01 -0.05 -0.43 120.40 125.80 2fhq s VAL 84 Ca 0.03 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 2fhq s VAL 84 Cb -0.09 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.58 2fhq s VAL 84 CO 0.03 0.50 0.10 -1.61 0.00 0.00 0.00 175.10 174.13 2fhq s GLU 85 N 0.28 3.91 -0.22 2.72 2.02 -0.55 -4.71 118.70 122.14 2fhq s GLU 85 Ca -0.04 -0.25 -0.26 0.00 0.02 0.00 0.00 54.97 54.44 2fhq s GLU 85 Cb -0.14 -3.27 -0.00 0.00 0.10 0.00 0.00 34.13 30.81 2fhq s GLU 85 CO 0.03 0.41 0.90 0.08 0.02 0.00 0.00 175.26 176.70 2fhq s VAL 86 N 0.02 4.80 -0.09 2.63 1.01 -1.26 -1.32 120.40 126.19 2fhq s VAL 86 Ca 0.08 1.75 0.01 0.00 0.00 0.00 0.00 61.98 63.82 2fhq s VAL 86 Cb -0.12 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.05 2fhq s VAL 86 CO 0.00 -0.08 -0.12 0.68 0.00 0.00 0.00 175.10 175.58 2fhq s VAL 87 N 2.76 3.18 0.00 2.92 -7.23 0.98 -4.98 120.40 118.03 2fhq s VAL 87 Ca 0.39 -0.65 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 2fhq s VAL 87 Cb -0.16 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.49 2fhq s VAL 87 CO 0.09 0.56 0.69 0.35 -0.31 0.00 0.00 175.10 176.48 2fhq n THR 88 N 2.82 0.42 -1.42 5.32 -2.24 -1.26 -1.51 114.28 116.42 2fhq n THR 88 Ca -0.18 -0.67 -0.52 0.00 -2.27 0.00 0.00 64.05 60.41 2fhq n THR 88 Cb 0.52 0.83 -0.08 0.00 -2.10 0.00 0.00 70.33 69.51 2fhq n THR 88 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2fhq n ASP 89 N -0.21 1.92 -0.34 3.42 -0.08 -1.26 -4.86 116.55 115.13 2fhq n ASP 89 Ca 0.00 0.46 0.19 0.00 -1.51 0.00 0.00 54.79 53.93 2fhq n ASP 89 Cb 0.14 -1.20 0.41 0.00 2.34 0.00 0.00 41.12 42.80 2fhq n ASP 89 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2fhq h GLU 90 N 11.77 0.52 -0.58 -0.67 5.08 -1.96 -0.18 114.58 128.56 2fhq h GLU 90 Ca -0.25 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 57.99 2fhq h GLU 90 Cb 1.34 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 2fhq h GLU 90 CO 1.03 0.35 -0.00 -0.22 -1.00 0.00 0.00 179.01 179.16 2fhq h LYS 91 N 0.54 1.02 0.05 2.33 3.64 -1.97 -1.54 116.57 120.64 2fhq h LYS 91 Ca 0.65 -0.31 -0.23 0.00 -1.27 0.00 0.00 60.65 59.49 2fhq h LYS 91 Cb 1.30 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 33.05 2fhq h LYS 91 CO -0.48 1.00 -0.94 -0.07 -2.27 0.00 0.00 179.45 176.69 2fhq h LEU 92 N 0.93 0.73 -0.81 5.20 3.38 -1.64 -1.71 115.31 121.39 2fhq h LEU 92 Ca 0.17 -0.80 0.17 0.00 0.09 0.00 0.00 57.88 57.51 2fhq h LEU 92 Cb 0.54 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.96 2fhq h LEU 92 CO 0.03 1.44 0.32 0.11 0.09 0.00 0.00 178.44 180.44 2fhq h LYS 93 N 0.11 0.41 -0.03 1.13 1.57 -0.99 0.84 116.57 119.60 2fhq h LYS 93 Ca -0.13 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.60 2fhq h LYS 93 Cb 1.64 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.85 2fhq h LYS 93 CO 0.18 0.27 -0.06 0.37 -0.57 0.00 0.00 179.45 179.64 2fhq h GLN 94 N 0.42 0.09 -0.20 3.15 4.15 -1.31 -2.78 115.11 118.64 2fhq h GLN 94 Ca 0.47 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.79 2fhq h GLN 94 Cb 0.79 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.48 2fhq h GLN 94 CO -0.46 0.66 -0.02 0.93 -1.93 0.00 0.00 178.83 178.00 2fhq h GLU 95 N -0.46 0.30 -0.04 1.69 5.08 -0.87 -2.98 114.58 117.29 2fhq h GLU 95 Ca -0.00 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2fhq h GLU 95 Cb 0.66 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2fhq h GLU 95 CO 0.01 0.34 0.00 1.28 -1.00 0.00 0.00 179.01 179.65 2fhq n LEU 96 N -4.35 2.82 -4.74 1.33 4.77 0.25 -4.95 117.00 112.13 2fhq n LEU 96 Ca -0.00 -0.96 -0.42 0.00 -0.03 0.00 0.00 56.01 54.61 2fhq n LEU 96 Cb 0.20 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 2fhq n LEU 96 CO 0.37 0.48 1.25 1.87 -1.33 0.00 0.00 177.39 180.03 2fhq n TRP 97 N 1.20 2.86 -4.34 -1.77 -0.00 -1.05 -5.01 117.44 109.32 2fhq n TRP 97 Ca 0.15 0.24 -0.29 0.00 -0.00 0.00 0.00 57.50 57.60 2fhq n TRP 97 Cb 0.57 -2.60 -0.12 0.00 -0.00 0.00 0.00 31.31 29.16 2fhq n TRP 97 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 2fhq s GLN 98 N -0.41 1.65 0.33 5.87 -1.52 -1.26 -5.04 119.66 119.28 2fhq s GLN 98 Ca 0.65 -1.28 0.06 0.00 -1.95 0.00 0.00 55.36 52.83 2fhq s GLN 98 Cb -0.50 -2.02 0.72 0.00 -0.22 0.00 0.00 33.01 30.99 2fhq s GLN 98 CO 0.48 0.46 1.88 -0.44 -0.25 0.00 0.00 175.29 177.41 2fhq h ASP 99 N 3.64 0.75 0.57 5.90 3.32 -2.03 -1.01 116.42 127.56 2fhq h ASP 99 Ca -0.50 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.59 2fhq h ASP 99 Cb 1.18 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2fhq h ASP 99 CO 0.45 0.41 0.00 -2.67 -1.72 0.00 0.00 179.24 175.71 2fhq n TRP 100 N -4.55 0.06 0.32 4.55 4.27 -1.26 -2.12 117.44 118.71 2fhq n TRP 100 Ca 0.16 0.02 0.21 0.00 -3.89 0.00 0.00 57.50 54.01 2fhq n TRP 100 Cb 0.38 -0.54 1.04 0.00 -1.36 0.00 0.00 31.31 30.83 2fhq n TRP 100 CO 0.00 0.00 0.00 0.74 -2.29 0.00 0.00 177.69 176.14 2fhq h PHE 101 N 0.00 0.00 -0.52 -2.67 -1.00 -1.59 -3.21 116.94 107.94 2fhq h PHE 101 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2fhq h PHE 101 Cb 0.29 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.82 2fhq h PHE 101 CO 0.00 0.00 0.29 0.82 -1.61 0.00 0.00 178.31 177.81 2fhq h ILE 102 N 0.00 1.18 -0.44 -0.55 2.04 -1.61 0.32 117.51 118.45 2fhq h ILE 102 Ca 0.00 -0.45 0.13 0.00 1.00 0.00 0.00 64.86 65.53 2fhq h ILE 102 Cb 0.16 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 2fhq h ILE 102 CO 0.00 0.19 0.47 -0.33 0.00 0.00 0.00 178.15 178.48 2fhq h GLU 103 N 0.70 0.00 0.00 2.37 4.39 -1.80 -3.16 114.58 117.07 2fhq h GLU 103 Ca 0.18 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.65 2fhq h GLU 103 Cb 0.05 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 2fhq h GLU 103 CO -0.03 0.00 -1.87 0.72 -1.16 0.00 0.00 179.01 176.67 2fhq n HIS 104 N -3.71 0.00 -3.77 4.33 8.25 -0.50 -4.84 115.22 114.98 2fhq n HIS 104 Ca 0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.26 2fhq n HIS 104 Cb 0.66 -0.61 -0.12 0.00 1.12 0.00 0.00 29.99 31.04 2fhq n HIS 104 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2fhq s PHE 105 N -2.31 2.73 -0.79 4.41 2.99 0.10 -4.99 117.98 120.13 2fhq s PHE 105 Ca -0.13 -2.94 0.10 0.00 0.00 0.00 0.00 56.93 53.96 2fhq s PHE 105 Cb 0.04 -2.22 0.47 0.00 0.00 0.00 0.00 43.02 41.31 2fhq s PHE 105 CO 0.44 -0.67 1.30 -2.30 -0.00 0.00 0.00 175.22 173.99 2fhq n PRO 106 N 2.61 0.05 0.00 0.24 -0.02 -1.23 -1.75 135.00 134.90 2fhq n PRO 106 Ca 0.17 0.47 0.14 0.00 -2.02 0.00 0.00 63.50 62.26 2fhq n PRO 106 Cb 0.37 -1.63 0.62 0.00 -0.02 0.00 0.00 33.50 32.84 2fhq n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fhq n GLY 107 N -1.00 -0.91 6.72 -1.23 0.00 -1.26 -5.06 105.19 102.45 2fhq n GLY 107 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2fhq n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fhq n GLY 108 N 1.26 -2.00 0.00 -0.02 0.00 -0.72 -3.99 105.19 99.73 2fhq n GLY 108 Ca 0.15 -1.44 0.01 0.00 0.00 0.00 0.00 46.02 44.74 2fhq n GLY 108 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fhq n PRO 109 N 0.00 0.02 0.00 1.61 -0.04 -1.26 -0.51 135.00 134.82 2fhq n PRO 109 Ca 0.00 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.80 2fhq n PRO 109 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2fhq n PRO 109 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2fhq n THR 110 N -1.29 0.00 -1.64 0.52 5.66 -1.26 -4.38 114.28 111.89 2fhq n THR 110 Ca 0.01 -0.22 -0.52 0.00 -3.05 0.00 0.00 64.05 60.27 2fhq n THR 110 Cb 0.01 1.05 -0.06 0.00 -1.55 0.00 0.00 70.33 69.78 2fhq n THR 110 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2fhq n ASP 111 N -1.01 2.22 0.27 1.09 -0.08 0.34 -4.86 116.55 114.52 2fhq n ASP 111 Ca 0.04 1.09 0.17 0.00 -1.51 0.00 0.00 54.79 54.58 2fhq n ASP 111 Cb 0.24 -1.24 0.66 0.00 2.34 0.00 0.00 41.12 43.12 2fhq n ASP 111 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 2fhq h PRO 112 N 5.73 0.00 0.00 -0.67 0.11 -1.95 -1.90 132.00 133.32 2fhq h PRO 112 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2fhq h PRO 112 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2fhq h PRO 112 CO 0.85 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 179.05 2fhq n GLY 113 N 0.09 -1.12 3.54 -0.55 0.00 -1.26 -4.75 105.19 101.15 2fhq n GLY 113 Ca 0.01 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 2fhq n GLY 113 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2fhq s TYR 114 N -2.56 3.20 0.04 1.61 5.04 -0.72 -0.62 117.35 123.35 2fhq s TYR 114 Ca 0.24 -0.09 0.05 0.00 -2.44 0.00 0.00 57.07 54.84 2fhq s TYR 114 Cb 0.17 -2.38 -0.02 0.00 0.35 0.00 0.00 41.96 40.08 2fhq s TYR 114 CO 0.39 -0.26 -0.15 0.08 -1.34 0.00 0.00 175.55 174.27 2fhq s VAL 115 N 1.72 1.17 0.06 3.14 1.01 -0.94 -4.90 120.40 121.65 2fhq s VAL 115 Ca 0.06 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2fhq s VAL 115 Cb -0.16 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2fhq s VAL 115 CO 0.09 -0.01 0.13 -0.76 0.00 0.00 0.00 175.10 174.55 2fhq s LEU 116 N -1.22 4.03 -0.24 3.92 1.43 -0.57 -1.62 118.68 124.42 2fhq s LEU 116 Ca 0.02 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.22 2fhq s LEU 116 Cb -0.08 -2.61 0.02 0.00 0.03 0.00 0.00 46.19 43.55 2fhq s LEU 116 CO 0.01 0.19 -0.08 -0.76 0.23 0.00 0.00 176.35 175.95 2fhq s LEU 117 N -2.30 3.01 -0.38 1.79 1.43 -1.26 -0.01 118.68 120.95 2fhq s LEU 117 Ca 0.30 -0.76 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 2fhq s LEU 117 Cb -0.12 -1.65 0.01 0.00 0.03 0.00 0.00 46.19 44.45 2fhq s LEU 117 CO 0.22 -0.09 0.27 -0.75 0.23 0.00 0.00 176.35 176.24 2fhq s LYS 118 N 1.35 3.16 -0.21 1.70 2.20 -0.43 -4.27 119.74 123.24 2fhq s LYS 118 Ca 0.02 -0.88 -0.15 0.00 -0.36 0.00 0.00 55.97 54.59 2fhq s LYS 118 Cb -0.16 -3.91 -0.04 0.00 -1.51 0.00 0.00 37.83 32.22 2fhq s LYS 118 CO -0.05 -0.63 0.36 0.12 -0.36 0.00 0.00 175.35 174.78 2fhq s PHE 119 N 1.69 3.36 -0.18 4.03 5.36 0.25 -1.49 117.98 131.01 2fhq s PHE 119 Ca 0.05 0.55 -0.01 0.00 -0.96 0.00 0.00 56.93 56.56 2fhq s PHE 119 Cb -0.18 -2.48 0.00 0.00 -0.34 0.00 0.00 43.02 40.01 2fhq s PHE 119 CO 0.10 0.00 -0.12 0.99 -1.46 0.00 0.00 175.22 174.73 2fhq s THR 120 N 1.27 2.80 0.24 0.12 2.01 0.43 -0.95 115.64 121.56 2fhq s THR 120 Ca 0.17 -0.70 -0.19 0.00 0.31 0.00 0.00 61.69 61.28 2fhq s THR 120 Cb -0.15 -2.22 -0.08 0.00 0.01 0.00 0.00 72.50 70.06 2fhq s THR 120 CO 0.07 0.49 0.72 0.00 -0.69 0.00 0.00 174.62 175.22 2fhq s ALA 121 N 1.14 3.40 0.00 7.40 0.00 -0.76 -0.99 121.76 131.95 2fhq s ALA 121 Ca 0.01 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.11 2fhq s ALA 121 Cb -0.14 -2.81 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2fhq s ALA 121 CO -0.04 0.33 0.12 0.27 0.00 0.00 0.00 175.76 176.44 2fhq n ASN 122 N 0.57 0.24 -3.64 0.00 0.23 -1.26 -4.88 115.26 106.51 2fhq n ASN 122 Ca -0.02 -0.65 -0.11 0.00 -0.53 0.00 0.00 54.58 53.27 2fhq n ASN 122 Cb 0.51 0.19 -0.07 0.00 -2.08 0.00 0.00 39.78 38.33 2fhq n ASN 122 CO 0.00 0.00 0.00 -2.28 -0.93 0.00 0.00 177.26 174.05 2fhq s HIS 123 N -0.19 -0.87 0.12 -2.53 5.04 -1.26 -1.83 115.29 113.78 2fhq s HIS 123 Ca 0.00 1.94 0.11 0.00 -1.54 0.00 0.00 55.06 55.57 2fhq s HIS 123 Cb 0.00 0.40 -0.04 0.00 0.04 0.00 0.00 32.58 32.98 2fhq s HIS 123 CO 0.00 -0.42 -0.27 0.00 -2.34 0.00 0.00 174.74 171.71 2fhq s ALA 124 N 0.85 2.35 -0.20 1.58 0.00 0.52 -4.34 121.76 122.52 2fhq s ALA 124 Ca -0.04 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 50.49 2fhq s ALA 124 Cb -0.05 -0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.73 2fhq s ALA 124 CO -0.07 0.53 -0.10 0.99 0.00 0.00 0.00 175.76 177.12 2fhq s THR 125 N -1.03 1.66 -0.14 0.00 2.01 0.84 -0.58 115.64 118.40 2fhq s THR 125 Ca 0.14 -1.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 2fhq s THR 125 Cb -0.10 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2fhq s THR 125 CO 0.06 0.14 0.09 -0.31 -0.69 0.00 0.00 174.62 173.91 2fhq s TYR 126 N 1.38 3.40 -0.66 4.92 2.02 0.12 -0.69 117.35 127.85 2fhq s TYR 126 Ca -0.02 0.32 0.03 0.00 -0.37 0.00 0.00 57.07 57.03 2fhq s TYR 126 Cb -0.17 -1.99 0.16 0.00 -0.40 0.00 0.00 41.96 39.57 2fhq s TYR 126 CO -0.08 0.47 0.45 -0.46 -1.57 0.00 0.00 175.55 174.36 2fhq s TRP 127 N -0.41 3.47 0.02 2.71 -0.00 -0.07 -1.24 118.94 123.42 2fhq s TRP 127 Ca 0.10 -3.19 0.06 0.00 -0.00 0.00 0.00 56.10 53.07 2fhq s TRP 127 Cb -0.12 -2.86 -0.02 0.00 -0.00 0.00 0.00 33.47 30.47 2fhq s TRP 127 CO 0.02 -0.66 -0.17 0.42 -0.00 0.00 0.00 176.95 176.55 2fhq s ILE 128 N -0.94 1.38 -1.42 5.86 1.01 -0.94 -1.51 121.20 124.64 2fhq s ILE 128 Ca 0.22 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.87 2fhq s ILE 128 Cb -0.13 -1.19 0.02 0.00 0.01 0.00 0.00 42.46 41.17 2fhq s ILE 128 CO -0.09 0.20 0.59 -0.62 0.00 0.00 0.00 174.94 175.02 2fhq n GLU 129 N 2.14 -3.99 -2.45 2.79 1.02 -1.26 -1.46 120.64 117.43 2fhq n GLU 129 Ca -0.17 0.48 -0.05 0.00 -0.02 0.00 0.00 57.16 57.41 2fhq n GLU 129 Cb 0.54 -4.87 -0.00 0.00 -0.02 0.00 0.00 31.44 27.09 2fhq n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2fhq n GLY 130 N -1.78 -0.48 3.10 0.62 0.00 -1.26 -4.92 105.19 100.47 2fhq n GLY 130 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 2fhq n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fhq s THR 131 N -2.25 1.55 -0.15 2.61 2.01 -0.54 -5.13 115.64 113.74 2fhq s THR 131 Ca 0.00 -0.71 -0.17 0.00 0.31 0.00 0.00 61.69 61.12 2fhq s THR 131 Cb 0.00 -1.37 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2fhq s THR 131 CO 0.00 0.45 0.45 -0.36 -0.69 0.00 0.00 174.62 174.47 2fhq s PHE 132 N 0.60 3.46 -0.02 4.92 2.99 -1.26 -2.21 117.98 126.46 2fhq s PHE 132 Ca -0.15 0.79 0.01 0.00 0.00 0.00 0.00 56.93 57.58 2fhq s PHE 132 Cb -0.16 -2.55 0.01 0.00 0.00 0.00 0.00 43.02 40.32 2fhq s PHE 132 CO 0.05 0.10 -0.01 0.42 -0.00 0.00 0.00 175.22 175.77 2fhq s ILE 133 N 0.90 0.21 -0.32 0.64 1.01 -0.37 -4.99 121.20 118.27 2fhq s ILE 133 Ca 0.23 -0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.90 2fhq s ILE 133 Cb -0.15 -0.25 0.10 0.00 0.01 0.00 0.00 42.46 42.17 2fhq s ILE 133 CO 0.09 0.11 0.06 -1.00 0.00 0.00 0.00 174.94 174.21 2fhq s HIS 134 N 0.57 2.82 0.02 3.97 3.76 -1.26 0.14 115.29 125.32 2fhq s HIS 134 Ca -0.06 -2.39 0.07 0.00 -0.15 0.00 0.00 55.06 52.54 2fhq s HIS 134 Cb -0.09 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.25 2fhq s HIS 134 CO -0.01 -0.91 -0.21 0.15 -0.85 0.00 0.00 174.74 172.91 2fhq s LYS 135 N 1.23 2.04 0.39 1.40 1.02 0.25 -4.99 119.74 121.08 2fhq s LYS 135 Ca 0.09 -0.98 -0.26 0.00 0.02 0.00 0.00 55.97 54.84 2fhq s LYS 135 Cb -0.18 -2.12 -0.09 0.00 -0.52 0.00 0.00 37.83 34.92 2fhq s LYS 135 CO -0.15 0.54 1.23 0.21 -0.92 0.00 0.00 175.35 176.26 2fhq s LYS 136 N -1.19 4.10 0.00 1.68 2.36 -1.26 -0.35 119.74 125.08 2fhq s LYS 136 Ca 0.13 2.00 0.20 0.00 -2.55 0.00 0.00 55.97 55.75 2fhq s LYS 136 Cb -0.10 -2.79 0.16 0.00 -1.05 0.00 0.00 37.83 34.05 2fhq s LYS 136 CO 0.03 -0.33 1.14 1.28 1.55 0.00 0.00 175.35 179.02