#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fhq n THR 5 N 0.00 0.00 0.00 0.58 -1.04 -1.26 -4.93 114.28 107.63 2fhq n THR 5 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2fhq n THR 5 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2fhq n THR 5 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2fhq n LYS 7 N 0.00 0.00 -0.28 -2.82 4.81 -1.26 -1.08 118.16 117.53 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 0.07 0.00 0.02 0.00 0.00 35.03 35.12 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 1.06 -0.44 1.64 5.08 -1.99 0.11 114.58 120.04 2fhq h GLU 8 Ca 0.00 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 2fhq h GLU 8 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 2fhq h GLU 8 CO 0.00 0.77 -0.16 0.87 -1.00 0.00 0.00 179.01 179.48 2fhq h LYS 9 N 1.06 0.84 -0.46 2.33 1.57 -1.46 -2.05 116.57 118.41 2fhq h LYS 9 Ca 0.28 -0.32 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2fhq h LYS 9 Cb -0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 2fhq h LYS 9 CO -0.05 0.95 0.03 0.00 -0.57 0.00 0.00 179.45 179.81 2fhq h ALA 10 N 1.06 0.61 -0.01 3.86 0.00 -1.74 0.43 119.26 123.47 2fhq h ALA 10 Ca 0.11 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2fhq h ALA 10 Cb 0.68 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2fhq h ALA 10 CO 0.05 0.38 -0.03 0.28 0.00 0.00 0.00 179.25 179.94 2fhq h VAL 11 N 0.64 0.93 -0.73 0.00 2.07 -0.76 -0.34 116.25 118.06 2fhq h VAL 11 Ca 0.13 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 2fhq h VAL 11 Cb 0.46 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 2fhq h VAL 11 CO 0.02 0.00 0.48 -0.33 0.02 0.00 0.00 177.57 177.76 2fhq h GLU 12 N -0.04 0.60 -0.28 1.57 5.08 -1.20 -1.00 114.58 119.31 2fhq h GLU 12 Ca 0.02 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2fhq h GLU 12 Cb 0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2fhq h GLU 12 CO -0.04 0.40 -0.22 1.25 -1.00 0.00 0.00 179.01 179.40 2fhq h LEU 13 N 0.62 0.68 -0.93 1.33 5.85 -0.51 -3.09 115.31 119.26 2fhq h LEU 13 Ca 0.34 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2fhq h LEU 13 Cb 0.49 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 2fhq h LEU 13 CO -0.12 0.99 0.54 0.25 -0.34 0.00 0.00 178.44 179.76 2fhq h LEU 14 N 0.39 1.14 -2.26 2.25 6.46 -0.06 -2.08 115.31 121.14 2fhq h LEU 14 Ca 0.05 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 2fhq h LEU 14 Cb 0.77 -0.29 -0.00 0.00 -0.73 0.00 0.00 40.66 40.41 2fhq h LEU 14 CO 0.06 0.89 0.04 1.56 -0.62 0.00 0.00 178.44 180.36 2fhq h GLN 15 N 1.29 0.00 -0.00 1.25 4.20 -1.16 -0.76 115.11 119.93 2fhq h GLN 15 Ca 0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.04 2fhq h GLN 15 Cb -0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2fhq h GLN 15 CO -0.06 0.00 -0.37 1.63 -0.67 0.00 0.00 178.83 179.36 2fhq n LYS 16 N -4.10 0.16 -3.68 1.46 5.02 -0.80 -4.85 118.16 111.36 2fhq n LYS 16 Ca -0.02 -0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 55.82 2fhq n LYS 16 Cb 0.13 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.54 2fhq n LYS 16 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2fhq n GLU 18 N 4.44 0.51 -4.41 0.00 -0.58 -1.26 -4.88 120.64 114.46 2fhq n GLU 18 Ca -0.15 0.05 -0.27 0.00 -0.42 0.00 0.00 57.16 56.37 2fhq n GLU 18 Cb 0.52 -1.72 -0.13 0.00 -0.57 0.00 0.00 31.44 29.54 2fhq n GLU 18 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2fhq s VAL 19 N -3.33 1.97 0.26 2.62 -7.23 -1.26 -0.87 120.40 112.57 2fhq s VAL 19 Ca 0.00 -1.60 0.02 0.00 -1.81 0.00 0.00 61.98 58.59 2fhq s VAL 19 Cb 0.12 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 2fhq s VAL 19 CO 0.80 0.06 0.08 0.68 -0.31 0.00 0.00 175.10 176.41 2fhq s VAL 20 N -1.06 0.68 -0.17 1.32 -7.23 -1.26 -4.77 120.40 107.90 2fhq s VAL 20 Ca 0.10 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.27 2fhq s VAL 20 Cb -0.10 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2fhq s VAL 20 CO 0.05 -0.03 -0.14 -0.89 -0.31 0.00 0.00 175.10 173.78 2fhq s THR 21 N -3.67 2.72 -0.13 5.32 2.01 0.01 -4.46 115.64 117.44 2fhq s THR 21 Ca 0.37 -0.74 -0.03 0.00 0.31 0.00 0.00 61.69 61.60 2fhq s THR 21 Cb 0.08 -2.17 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 2fhq s THR 21 CO 0.13 0.50 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.32 2fhq s LEU 22 N 1.04 3.36 -0.06 4.42 0.20 0.15 -1.02 118.68 126.78 2fhq s LEU 22 Ca -0.01 -0.03 0.05 0.00 0.69 0.00 0.00 54.13 54.83 2fhq s LEU 22 Cb -0.15 -1.79 -0.01 0.00 -0.43 0.00 0.00 46.19 43.82 2fhq s LEU 22 CO -0.03 0.25 -0.21 0.00 -0.29 0.00 0.00 176.35 176.07 2fhq s ALA 23 N -0.12 1.84 0.49 5.97 0.00 0.11 0.12 121.76 130.18 2fhq s ALA 23 Ca 0.03 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.19 2fhq s ALA 23 Cb -0.13 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.38 2fhq s ALA 23 CO 0.02 0.33 0.22 -1.54 0.00 0.00 0.00 175.76 174.79 2fhq s SER 24 N 0.01 4.42 -0.16 0.00 1.04 -1.09 -2.08 113.70 115.85 2fhq s SER 24 Ca -0.06 -1.30 0.01 0.00 0.48 0.00 0.00 55.95 55.09 2fhq s SER 24 Cb -0.13 0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.12 2fhq s SER 24 CO 0.04 -0.84 -0.19 -0.69 0.98 0.00 0.00 173.24 172.54 2fhq s VAL 25 N -2.74 2.30 0.95 5.02 1.01 -1.26 0.15 120.40 125.83 2fhq s VAL 25 Ca 0.29 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.23 2fhq s VAL 25 Cb 0.01 -1.96 0.18 0.00 0.00 0.00 0.00 36.38 34.61 2fhq s VAL 25 CO 0.17 0.53 1.27 0.54 0.00 0.00 0.00 175.10 177.61 2fhq s ASN 26 N 0.97 3.25 0.57 3.32 2.20 -0.32 -4.82 114.94 120.11 2fhq s ASN 26 Ca -0.03 0.42 0.35 0.00 -0.94 0.00 0.00 52.86 52.66 2fhq s ASN 26 Cb -0.15 -0.58 1.64 0.00 -2.00 0.00 0.00 41.25 40.16 2fhq s ASN 26 CO -0.04 -2.66 2.09 0.11 -2.94 0.00 0.00 177.10 173.65 2fhq h LYS 27 N -1.59 0.00 0.00 3.55 1.57 -1.93 -0.59 116.57 117.58 2fhq h LYS 27 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 2fhq h LYS 27 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.57 2fhq h LYS 27 CO 0.44 0.03 0.00 0.39 -0.57 0.00 0.00 179.45 179.74 2fhq n GLU 28 N -3.18 0.20 -0.47 3.15 1.02 -1.26 -4.91 120.64 115.18 2fhq n GLU 28 Ca -0.01 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2fhq n GLU 28 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.94 0.75 3.77 0.62 0.00 -0.23 -5.07 105.19 105.97 2fhq n GLY 29 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.58 3.76 0.30 1.61 1.51 -1.26 -4.81 117.35 115.89 2fhq s TYR 30 Ca 0.00 1.37 -0.27 0.00 -1.01 0.00 0.00 57.07 57.15 2fhq s TYR 30 Cb 0.00 -2.67 -0.09 0.00 -0.11 0.00 0.00 41.96 39.08 2fhq s TYR 30 CO 0.00 0.41 0.99 -1.25 -1.11 0.00 0.00 175.55 174.59 2fhq s PRO 31 N -0.51 4.60 -0.55 -1.71 0.04 -1.26 -1.18 135.00 134.43 2fhq s PRO 31 Ca 0.33 1.50 0.04 0.00 0.04 0.00 0.00 61.00 62.91 2fhq s PRO 31 Cb -0.20 -2.97 0.15 0.00 0.04 0.00 0.00 34.50 31.52 2fhq s PRO 31 CO 0.21 0.26 0.33 1.03 0.04 0.00 0.00 177.00 178.86 2fhq s ARG 32 N -1.77 1.87 0.13 4.56 0.52 0.12 -4.95 118.95 119.43 2fhq s ARG 32 Ca 0.48 -2.64 -0.30 0.00 -0.52 0.00 0.00 55.73 52.75 2fhq s ARG 32 Cb -0.24 -2.96 -0.06 0.00 0.52 0.00 0.00 34.95 32.21 2fhq s ARG 32 CO 0.30 -1.19 1.09 -1.25 0.02 0.00 0.00 175.30 174.27 2fhq s PRO 33 N -0.44 4.57 -0.02 3.54 0.04 -1.26 -2.66 135.00 138.76 2fhq s PRO 33 Ca 0.21 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.89 2fhq s PRO 33 Cb -0.17 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.06 2fhq s PRO 33 CO -0.06 0.01 0.05 0.08 0.04 0.00 0.00 177.00 177.12 2fhq s VAL 34 N 0.20 -0.01 1.10 -0.36 1.01 0.12 -4.94 120.40 117.51 2fhq s VAL 34 Ca 0.51 0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.40 2fhq s VAL 34 Cb -0.28 -0.09 0.24 0.00 0.00 0.00 0.00 36.38 36.26 2fhq s VAL 34 CO 0.32 0.02 1.07 -2.16 0.00 0.00 0.00 175.10 174.35 2fhq s PRO 35 N 0.28 -0.36 -0.10 2.72 0.04 -1.26 -0.67 135.00 135.65 2fhq s PRO 35 Ca -0.02 0.45 0.01 0.00 0.04 0.00 0.00 61.00 61.48 2fhq s PRO 35 Cb -0.03 -1.65 -0.02 0.00 0.04 0.00 0.00 34.50 32.84 2fhq s PRO 35 CO -0.01 -3.25 -0.13 0.45 0.04 0.00 0.00 177.00 174.10 2fhq s SER 37 N -3.30 4.06 -0.39 6.66 0.15 -1.26 -4.90 113.70 114.72 2fhq s SER 37 Ca 0.67 -0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.81 2fhq s SER 37 Cb -0.19 -1.32 0.01 0.00 -1.71 0.00 0.00 66.02 62.82 2fhq s SER 37 CO 0.59 0.24 0.85 -0.75 1.20 0.00 0.00 173.24 175.37 2fhq s LYS 38 N -0.08 3.73 -0.11 5.44 2.20 -0.05 -4.61 119.74 126.25 2fhq s LYS 38 Ca -0.02 0.35 -0.28 0.00 -0.36 0.00 0.00 55.97 55.66 2fhq s LYS 38 Cb -0.14 -3.83 -0.25 0.00 -1.51 0.00 0.00 37.83 32.10 2fhq s LYS 38 CO 0.04 -0.96 0.89 0.82 -0.36 0.00 0.00 175.35 175.78 2fhq h ILE 39 N 5.84 1.70 -2.91 5.43 2.04 -1.18 -3.47 117.51 124.95 2fhq h ILE 39 Ca -0.24 -2.09 -0.06 0.00 1.00 0.00 0.00 64.86 63.47 2fhq h ILE 39 Cb 1.09 3.11 -0.15 0.00 -0.74 0.00 0.00 36.82 40.12 2fhq h ILE 39 CO 0.96 0.55 0.02 0.00 0.00 0.00 0.00 178.15 179.67 2fhq s ALA 40 N -2.68 -1.25 -0.05 1.87 0.00 -1.20 -5.00 121.76 113.44 2fhq s ALA 40 Ca -0.18 0.46 -0.08 0.00 0.00 0.00 0.00 51.96 52.16 2fhq s ALA 40 Cb -0.02 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.58 2fhq s ALA 40 CO 0.69 -0.54 0.20 0.00 0.00 0.00 0.00 175.76 176.11 2fhq s ALA 41 N -2.74 -0.49 -0.38 0.00 0.00 -1.26 -0.29 121.76 116.60 2fhq s ALA 41 Ca -0.04 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.23 2fhq s ALA 41 Cb -0.00 -0.17 0.09 0.00 0.00 0.00 0.00 23.12 23.04 2fhq s ALA 41 CO -0.04 -0.15 0.16 -1.21 0.00 0.00 0.00 175.76 174.52 2fhq s GLU 42 N -0.49 2.19 7.56 0.00 2.02 0.35 -5.00 118.70 125.33 2fhq s GLU 42 Ca -0.06 -1.63 0.00 0.00 0.02 0.00 0.00 54.97 53.30 2fhq s GLU 42 Cb -0.04 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.68 2fhq s GLU 42 CO 0.01 -0.94 0.00 0.41 0.02 0.00 0.00 175.26 174.76 2fhq n GLY 43 N 4.65 3.41 0.54 -1.39 0.00 -1.26 -1.67 105.19 109.47 2fhq n GLY 43 Ca -0.06 -0.17 0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 1.32 0.08 -0.61 -5.35 -1.26 -4.76 119.36 108.78 2fhq n ILE 44 Ca 0.00 -1.26 -0.23 0.00 -0.27 0.00 0.00 62.75 60.99 2fhq n ILE 44 Cb 0.00 0.30 -0.15 0.00 -1.74 0.00 0.00 39.64 38.05 2fhq n ILE 44 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 2fhq h SER 45 N 1.49 0.64 -3.57 7.28 0.87 -1.70 -3.40 113.55 115.17 2fhq h SER 45 Ca 0.00 -0.93 -0.36 0.00 -1.23 0.00 0.00 61.79 59.27 2fhq h SER 45 Cb 0.86 -0.21 -0.33 0.00 -0.44 0.00 0.00 62.40 62.28 2fhq h SER 45 CO 0.05 1.74 -0.76 0.42 -0.53 0.00 0.00 176.83 177.75 2fhq s THR 46 N -2.56 0.33 -0.03 2.23 -4.23 -1.14 -1.13 115.64 109.11 2fhq s THR 46 Ca -0.15 -0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.34 2fhq s THR 46 Cb 0.05 -0.37 0.00 0.00 1.34 0.00 0.00 72.50 73.52 2fhq s THR 46 CO 0.87 0.16 -0.09 -0.63 -0.54 0.00 0.00 174.62 174.39 2fhq s ILE 47 N 0.74 0.78 0.24 2.99 1.01 -0.43 -0.50 121.20 126.04 2fhq s ILE 47 Ca -0.08 -0.35 0.08 0.00 0.00 0.00 0.00 60.65 60.30 2fhq s ILE 47 Cb -0.12 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.61 2fhq s ILE 47 CO -0.01 0.25 0.04 0.26 0.00 0.00 0.00 174.94 175.48 2fhq s TRP 48 N 0.23 2.82 0.05 3.97 0.52 0.60 -1.15 118.94 125.99 2fhq s TRP 48 Ca -0.04 -0.17 -0.12 0.00 0.02 0.00 0.00 56.10 55.78 2fhq s TRP 48 Cb -0.09 -1.29 0.01 0.00 -1.15 0.00 0.00 33.47 30.96 2fhq s TRP 48 CO 0.01 0.57 0.27 -1.54 0.02 0.00 0.00 176.95 176.28 2fhq s SER 50 N -3.50 -0.07 0.31 2.95 1.04 -1.26 -0.61 113.70 112.55 2fhq s SER 50 Ca 0.31 -0.28 -0.19 0.00 0.48 0.00 0.00 55.95 56.26 2fhq s SER 50 Cb -0.08 0.35 0.03 0.00 0.10 0.00 0.00 66.02 66.42 2fhq s SER 50 CO 0.21 -0.63 0.73 0.28 0.98 0.00 0.00 173.24 174.81 2fhq s THR 51 N -2.75 0.00 0.29 2.02 -1.32 -0.79 -4.90 115.64 108.19 2fhq s THR 51 Ca -0.04 -1.02 -0.29 0.00 -1.21 0.00 0.00 61.69 59.14 2fhq s THR 51 Cb -0.00 -2.23 -0.10 0.00 -1.51 0.00 0.00 72.50 68.66 2fhq s THR 51 CO -0.05 0.00 1.17 -0.83 -2.21 0.00 0.00 174.62 172.70 2fhq s GLY 52 N -2.96 3.03 0.55 6.08 0.00 -1.26 -2.19 107.32 110.57 2fhq s GLY 52 Ca 0.13 1.01 0.24 0.00 0.00 0.00 0.00 44.72 46.10 2fhq s GLY 52 CO 0.08 1.64 2.09 0.00 0.00 0.00 0.00 173.10 176.92 2fhq h ALA 53 N 3.74 2.03 -0.69 3.20 0.00 -1.36 -1.21 119.26 124.97 2fhq h ALA 53 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2fhq h ALA 53 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2fhq h ALA 53 CO 0.67 -0.30 0.00 -0.40 0.00 0.00 0.00 179.25 179.22 2fhq n ASP 54 N -4.16 4.57 -4.76 0.00 5.75 -1.26 -4.67 116.55 112.02 2fhq n ASP 54 Ca 0.02 -2.31 -0.31 0.00 -0.01 0.00 0.00 54.79 52.18 2fhq n ASP 54 Cb 0.33 -0.56 0.09 0.00 -1.03 0.00 0.00 41.12 39.95 2fhq n ASP 54 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2fhq s SER 55 N -0.93 4.50 0.29 -1.12 1.04 -0.46 -4.88 113.70 112.13 2fhq s SER 55 Ca 0.51 1.89 -0.02 0.00 0.48 0.00 0.00 55.95 58.81 2fhq s SER 55 Cb 0.31 -2.53 0.42 0.00 0.10 0.00 0.00 66.02 64.32 2fhq s SER 55 CO 0.28 -2.04 1.94 -0.07 0.98 0.00 0.00 173.24 174.33 2fhq h LEU 56 N -0.95 0.99 0.03 2.42 3.38 -1.95 -2.32 115.31 116.91 2fhq h LEU 56 Ca -0.44 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.54 2fhq h LEU 56 Cb 1.24 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 2fhq h LEU 56 CO 0.51 0.70 -0.36 0.11 0.09 0.00 0.00 178.44 179.49 2fhq h LYS 57 N 1.16 -0.51 -0.15 1.13 6.56 -1.92 -0.52 116.57 122.31 2fhq h LYS 57 Ca 0.34 0.04 0.02 0.00 -1.06 0.00 0.00 60.65 59.99 2fhq h LYS 57 Cb -0.06 0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.70 2fhq h LYS 57 CO -0.09 -0.34 0.02 1.15 -2.06 0.00 0.00 179.45 178.13 2fhq h THR 58 N -0.53 0.92 -0.77 -0.16 2.02 -1.73 -0.87 112.91 111.79 2fhq h THR 58 Ca 0.05 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 2fhq h THR 58 Cb 0.61 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 2fhq h THR 58 CO -0.27 0.01 0.45 0.40 0.37 0.00 0.00 175.52 176.48 2fhq h ILE 59 N 0.08 1.22 -0.19 3.11 2.04 -1.30 -1.43 117.51 121.03 2fhq h ILE 59 Ca 0.07 -0.51 0.05 0.00 1.00 0.00 0.00 64.86 65.46 2fhq h ILE 59 Cb 0.07 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.27 2fhq h ILE 59 CO -0.10 0.24 -0.12 0.44 0.00 0.00 0.00 178.15 178.61 2fhq h ASP 60 N 1.05 -0.39 0.81 1.72 3.32 -0.68 -3.19 116.42 119.06 2fhq h ASP 60 Ca 0.27 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 57.35 2fhq h ASP 60 Cb -0.01 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 2fhq h ASP 60 CO -0.05 -0.15 -0.30 -0.26 -1.72 0.00 0.00 179.24 176.76 2fhq h PHE 61 N -0.11 0.00 0.00 4.55 0.05 -0.49 -0.48 116.94 120.46 2fhq h PHE 61 Ca 0.11 0.00 -0.04 0.00 3.82 0.00 0.00 57.97 61.86 2fhq h PHE 61 Cb 0.28 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.22 2fhq h PHE 61 CO -0.27 0.30 -0.20 -0.07 -0.18 0.00 0.00 178.31 177.88 2fhq h LEU 62 N 0.00 0.00 0.00 1.54 3.38 -1.27 -3.21 115.31 115.75 2fhq h LEU 62 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.78 2fhq h LEU 62 Cb 0.78 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 2fhq h LEU 62 CO 0.04 0.20 -2.02 -1.54 0.09 0.00 0.00 178.44 175.21 2fhq n SER 63 N -4.13 0.91 -3.64 -0.43 3.41 -0.96 -4.91 113.62 103.87 2fhq n SER 63 Ca -0.02 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.31 2fhq n SER 63 Cb 0.27 1.24 -0.16 0.00 -0.26 0.00 0.00 64.21 65.30 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 -4.68 3.04 0.19 4.04 3.84 -0.23 -5.02 114.94 116.11 2fhq s ASN 64 Ca -0.08 -0.99 0.23 0.00 0.21 0.00 0.00 52.86 52.23 2fhq s ASN 64 Cb 0.07 -0.44 0.90 0.00 -0.55 0.00 0.00 41.25 41.24 2fhq s ASN 64 CO 0.70 -0.37 1.69 -0.81 -2.79 0.00 0.00 177.10 175.52 2fhq n PRO 65 N 5.16 0.16 -2.13 0.43 -0.04 -1.24 -4.08 135.00 133.26 2fhq n PRO 65 Ca -0.07 0.34 -0.41 0.00 -0.04 0.00 0.00 63.50 63.32 2fhq n PRO 65 Cb 0.46 -1.77 -0.02 0.00 -0.04 0.00 0.00 33.50 32.12 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 -3.21 4.36 0.06 0.54 1.02 -1.26 -0.78 119.74 120.46 2fhq s LYS 66 Ca 0.06 2.19 -0.14 0.00 0.02 0.00 0.00 55.97 58.10 2fhq s LYS 66 Cb 0.10 -3.10 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 2fhq s LYS 66 CO 0.41 -0.22 0.33 0.00 -0.92 0.00 0.00 175.35 174.95 2fhq s ALA 67 N -0.77 -0.74 0.06 5.17 0.00 0.02 -4.30 121.76 121.20 2fhq s ALA 67 Ca 0.52 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.48 2fhq s ALA 67 Cb -0.39 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2fhq s ALA 67 CO 0.49 -0.46 -0.06 0.20 0.00 0.00 0.00 175.76 175.92 2fhq s GLY 68 N -2.24 0.55 -0.15 0.00 0.00 -0.89 -1.12 107.32 103.48 2fhq s GLY 68 Ca -0.03 -0.99 -0.08 0.00 0.00 0.00 0.00 44.72 43.62 2fhq s GLY 68 CO -0.05 -1.07 0.36 -2.27 0.00 0.00 0.00 173.10 170.07 2fhq s LEU 69 N -2.21 0.03 0.25 0.66 0.20 0.13 0.10 118.68 117.84 2fhq s LEU 69 Ca -0.02 0.79 0.06 0.00 0.69 0.00 0.00 54.13 55.65 2fhq s LEU 69 Cb -0.03 1.17 -0.05 0.00 -0.43 0.00 0.00 46.19 46.85 2fhq s LEU 69 CO -0.03 -0.19 -0.07 0.00 -0.29 0.00 0.00 176.35 175.78 2fhq s PHE 71 N -3.10 -0.15 0.08 0.00 -0.71 -0.46 -0.81 117.98 112.82 2fhq s PHE 71 Ca 0.27 -0.17 -0.26 0.00 -1.04 0.00 0.00 56.93 55.72 2fhq s PHE 71 Cb 0.03 0.21 0.07 0.00 -1.21 0.00 0.00 43.02 42.12 2fhq s PHE 71 CO 0.10 -0.67 0.64 1.14 -1.34 0.00 0.00 175.22 175.08 2fhq s GLN 72 N -3.78 1.18 -0.19 1.99 1.03 -1.26 -1.60 119.66 117.03 2fhq s GLN 72 Ca 0.03 -0.20 -0.11 0.00 0.04 0.00 0.00 55.36 55.12 2fhq s GLN 72 Cb 0.02 0.55 0.06 0.00 0.03 0.00 0.00 33.01 33.67 2fhq s GLN 72 CO -0.12 -0.47 0.47 -2.00 -2.54 0.00 0.00 175.29 170.64 2fhq s GLU 73 N -2.78 0.47 -1.36 9.60 2.56 -0.47 -4.95 118.70 121.76 2fhq s GLU 73 Ca -0.03 0.86 -0.01 0.00 0.00 0.00 0.00 54.97 55.79 2fhq s GLU 73 Cb -0.01 0.03 0.01 0.00 2.00 0.00 0.00 34.13 36.16 2fhq s GLU 73 CO -0.04 -0.15 0.60 1.63 -0.56 0.00 0.00 175.26 176.73 2fhq n LYS 74 N 4.14 -4.25 -0.45 4.30 5.02 -1.26 -1.54 118.16 124.13 2fhq n LYS 74 Ca -0.22 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 2fhq n LYS 74 Cb 0.56 -4.93 0.00 0.00 -0.02 0.00 0.00 35.03 30.64 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 -1.74 1.85 3.85 0.72 0.00 -1.26 -5.00 105.19 103.60 2fhq n GLY 75 Ca -0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.37 6.23 0.05 1.61 1.01 -0.59 -4.90 116.67 116.72 2fhq s ASP 76 Ca 0.00 0.42 -0.10 0.00 0.71 0.00 0.00 52.55 53.58 2fhq s ASP 76 Cb 0.00 -1.99 0.01 0.00 1.01 0.00 0.00 42.92 41.95 2fhq s ASP 76 CO 0.00 0.40 0.22 -0.94 0.21 0.00 0.00 175.17 175.07 2fhq s SER 77 N -1.00 0.00 0.00 0.27 1.04 -0.25 -1.37 113.70 112.39 2fhq s SER 77 Ca 0.15 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.21 2fhq s SER 77 Cb -0.12 0.32 -0.00 0.00 0.10 0.00 0.00 66.02 66.32 2fhq s SER 77 CO 0.04 -0.60 -0.02 -0.69 0.98 0.00 0.00 173.24 172.95 2fhq s VAL 78 N -2.80 0.12 -0.11 5.02 1.01 -0.63 -0.23 120.40 122.79 2fhq s VAL 78 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.84 2fhq s VAL 78 Cb 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.28 2fhq s VAL 78 CO -0.05 0.01 -0.09 0.00 0.00 0.00 0.00 175.10 174.96 2fhq s ALA 79 N -0.11 1.36 0.00 5.51 0.00 -0.27 -1.36 121.76 126.89 2fhq s ALA 79 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.41 2fhq s ALA 79 Cb -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 23.12 22.26 2fhq s ALA 79 CO -0.00 -0.29 0.00 1.28 0.00 0.00 0.00 175.76 176.75 2fhq n LEU 80 N 4.67 0.00 0.00 0.00 4.77 0.18 -0.73 117.00 125.89 2fhq n LEU 80 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2fhq n LEU 80 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 2fhq n LEU 80 CO 0.19 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2fhq n GLY 82 N 5.00 0.68 3.29 -0.72 0.00 -0.27 -0.69 105.19 112.48 2fhq n GLY 82 Ca 0.00 -1.66 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.75 1.35 -0.14 1.61 0.41 -0.59 -0.80 118.70 118.78 2fhq s GLU 83 Ca 0.00 -1.09 -0.04 0.00 -0.41 0.00 0.00 54.97 53.43 2fhq s GLU 83 Cb 0.00 -1.58 -0.03 0.00 -1.78 0.00 0.00 34.13 30.74 2fhq s GLU 83 CO 0.00 0.39 0.00 0.08 -0.49 0.00 0.00 175.26 175.24 2fhq s VAL 84 N -0.95 4.29 -0.18 2.63 1.01 0.04 -0.37 120.40 126.87 2fhq s VAL 84 Ca 0.08 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2fhq s VAL 84 Cb -0.09 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2fhq s VAL 84 CO 0.03 0.52 0.05 -0.70 0.00 0.00 0.00 175.10 174.99 2fhq s GLU 85 N -0.00 3.93 -0.30 2.72 2.12 0.27 -4.73 118.70 122.71 2fhq s GLU 85 Ca 0.03 -0.37 -0.24 0.00 0.36 0.00 0.00 54.97 54.74 2fhq s GLU 85 Cb -0.13 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.10 2fhq s GLU 85 CO 0.02 0.27 0.83 0.08 -0.54 0.00 0.00 175.26 175.91 2fhq s VAL 86 N 0.37 4.77 -0.21 3.70 1.01 -1.26 -0.48 120.40 128.29 2fhq s VAL 86 Ca 0.02 1.30 -0.04 0.00 0.00 0.00 0.00 61.98 63.26 2fhq s VAL 86 Cb -0.13 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.06 2fhq s VAL 86 CO 0.01 -0.25 -0.02 -0.69 0.00 0.00 0.00 175.10 174.14 2fhq s VAL 87 N 3.02 3.62 -0.77 2.92 1.01 0.18 -4.95 120.40 125.44 2fhq s VAL 87 Ca 0.34 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.97 2fhq s VAL 87 Cb -0.14 -2.65 0.04 0.00 0.00 0.00 0.00 36.38 33.64 2fhq s VAL 87 CO 0.12 0.42 0.67 0.35 0.00 0.00 0.00 175.10 176.67 2fhq n THR 88 N 4.58 0.00 -1.64 3.92 -2.24 -1.26 -1.11 114.28 116.54 2fhq n THR 88 Ca -0.18 -0.49 -0.58 0.00 -2.27 0.00 0.00 64.05 60.54 2fhq n THR 88 Cb 0.51 1.13 -0.07 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.26 1.49 -0.36 3.42 -0.08 -1.26 -4.87 116.55 115.16 2fhq n ASP 89 Ca 0.04 1.12 -0.03 0.00 -1.51 0.00 0.00 54.79 54.41 2fhq n ASP 89 Cb 0.16 -1.07 0.10 0.00 2.34 0.00 0.00 41.12 42.64 2fhq n ASP 89 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2fhq h GLU 90 N 5.16 1.28 -0.34 -0.67 4.81 -1.96 -1.19 114.58 121.68 2fhq h GLU 90 Ca -0.47 -0.10 -0.17 0.00 -0.13 0.00 0.00 59.36 58.48 2fhq h GLU 90 Cb 1.35 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 2fhq h GLU 90 CO 0.84 0.88 -0.46 0.87 -0.73 0.00 0.00 179.01 180.42 2fhq h LYS 91 N 1.31 0.90 -0.30 1.92 1.57 -1.98 -2.43 116.57 117.57 2fhq h LYS 91 Ca 0.35 -0.52 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 2fhq h LYS 91 Cb -0.09 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 2fhq h LYS 91 CO -0.07 1.17 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.79 2fhq h LEU 92 N 0.71 0.63 -0.82 2.94 3.38 -1.93 -0.78 115.31 119.44 2fhq h LEU 92 Ca 0.04 -0.39 0.10 0.00 0.09 0.00 0.00 57.88 57.72 2fhq h LEU 92 Cb 1.06 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.56 2fhq h LEU 92 CO 0.11 0.88 0.45 0.11 0.09 0.00 0.00 178.44 180.08 2fhq h LYS 93 N 0.38 0.72 -0.20 1.13 1.57 -1.21 -0.02 116.57 118.93 2fhq h LYS 93 Ca 0.07 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 2fhq h LYS 93 Cb 0.63 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2fhq h LYS 93 CO 0.04 0.47 -0.38 1.96 -0.57 0.00 0.00 179.45 180.97 2fhq h GLN 94 N 0.74 0.62 -0.78 3.15 4.20 -1.37 -2.40 115.11 119.27 2fhq h GLN 94 Ca 0.40 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2fhq h GLN 94 Cb 0.42 0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 2fhq h GLN 94 CO -0.27 1.01 0.43 1.49 -0.67 0.00 0.00 178.83 180.82 2fhq h GLU 95 N 0.30 1.09 -0.05 1.46 4.81 -0.58 -2.93 114.58 118.67 2fhq h GLU 95 Ca 0.01 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2fhq h GLU 95 Cb 0.98 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2fhq h GLU 95 CO 0.09 0.80 0.00 1.28 -0.73 0.00 0.00 179.01 180.45 2fhq n LEU 96 N -4.43 1.83 -4.73 1.64 4.77 -0.07 -4.95 117.00 111.06 2fhq n LEU 96 Ca 0.07 -0.65 -0.42 0.00 -0.03 0.00 0.00 56.01 54.98 2fhq n LEU 96 Cb 0.09 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.14 2fhq n LEU 96 CO 0.38 0.32 1.10 1.87 -1.33 0.00 0.00 177.39 179.74 2fhq n TRP 97 N 0.43 2.65 -4.35 -1.77 -0.00 -0.90 -5.02 117.44 108.48 2fhq n TRP 97 Ca 0.18 0.40 -0.25 0.00 -0.00 0.00 0.00 57.50 57.82 2fhq n TRP 97 Cb 0.40 -2.52 -0.12 0.00 -0.00 0.00 0.00 31.31 29.07 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 -1.19 1.29 0.14 5.87 1.11 -1.26 -5.06 119.66 120.57 2fhq s GLN 98 Ca 0.60 -1.33 -0.18 0.00 0.01 0.00 0.00 55.36 54.47 2fhq s GLN 98 Cb -0.53 -1.58 0.02 0.00 -1.01 0.00 0.00 33.01 29.91 2fhq s GLN 98 CO 0.56 0.35 1.74 -0.44 0.01 0.00 0.00 175.29 177.51 2fhq h ASP 99 N 3.68 0.05 0.34 5.90 3.32 -2.03 -1.10 116.42 126.58 2fhq h ASP 99 Ca -0.46 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2fhq h ASP 99 Cb 1.19 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2fhq h ASP 99 CO 0.44 0.06 0.00 -2.67 -1.72 0.00 0.00 179.24 175.35 2fhq n TRP 100 N -5.07 0.75 -0.00 4.55 4.27 -1.26 -2.23 117.44 118.45 2fhq n TRP 100 Ca -0.00 0.34 0.22 0.00 -3.89 0.00 0.00 57.50 54.17 2fhq n TRP 100 Cb 0.12 -1.05 0.72 0.00 -1.36 0.00 0.00 31.31 29.74 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 -0.08 -2.67 -1.00 -1.59 -2.44 116.94 109.16 2fhq h PHE 101 Ca 0.00 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.80 2fhq h PHE 101 Cb 0.17 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 2fhq h PHE 101 CO 0.00 0.00 0.08 0.97 -1.61 0.00 0.00 178.31 177.75 2fhq h ILE 102 N 0.00 0.70 -0.68 -0.55 6.09 -1.62 0.42 117.51 121.87 2fhq h ILE 102 Ca 0.26 0.00 0.01 0.00 -1.37 0.00 0.00 64.86 63.76 2fhq h ILE 102 Cb 1.13 0.94 -0.03 0.00 0.47 0.00 0.00 36.82 39.33 2fhq h ILE 102 CO -0.00 0.00 0.45 -0.08 -3.07 0.00 0.00 178.15 175.45 2fhq h GLU 103 N 0.00 0.90 0.00 2.19 4.57 -1.69 -2.99 114.58 117.56 2fhq h GLU 103 Ca 0.04 -0.05 -0.29 0.00 -1.18 0.00 0.00 59.36 57.87 2fhq h GLU 103 Cb 0.19 -0.20 -0.05 0.00 -0.16 0.00 0.00 28.75 28.53 2fhq h GLU 103 CO -0.00 0.59 -1.85 0.72 -1.18 0.00 0.00 179.01 177.29 2fhq n HIS 104 N -4.61 0.73 -3.78 0.92 8.25 -0.30 -4.61 115.22 111.82 2fhq n HIS 104 Ca 0.06 0.26 -0.28 0.00 -0.26 0.00 0.00 57.72 57.50 2fhq n HIS 104 Cb 0.02 -1.12 -0.12 0.00 1.12 0.00 0.00 29.99 29.89 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 -2.63 2.81 0.41 4.41 2.99 0.13 -4.96 117.98 121.15 2fhq s PHE 105 Ca -0.06 -2.99 0.32 0.00 0.00 0.00 0.00 56.93 54.20 2fhq s PHE 105 Cb 0.08 -2.25 1.65 0.00 0.00 0.00 0.00 43.02 42.49 2fhq s PHE 105 CO 0.83 -0.66 2.12 -1.35 -0.00 0.00 0.00 175.22 176.16 2fhq h PRO 106 N 5.77 0.00 0.00 0.24 0.11 -1.77 -1.48 132.00 134.86 2fhq h PRO 106 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 2fhq h PRO 106 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2fhq h PRO 106 CO 0.61 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.88 2fhq n GLY 107 N -0.65 -0.81 6.37 -0.55 0.00 -1.26 -5.02 105.19 103.27 2fhq n GLY 107 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.11 -2.02 0.28 -0.02 0.00 -0.56 -3.61 105.19 99.16 2fhq n GLY 108 Ca 0.05 -1.48 0.19 0.00 0.00 0.00 0.00 46.02 44.79 2fhq n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2fhq h PRO 109 N 0.00 0.00 -0.56 1.61 0.13 -1.91 0.31 132.00 131.58 2fhq h PRO 109 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2fhq h PRO 109 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2fhq h PRO 109 CO 0.00 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.02 2fhq n THR 110 N -2.80 0.84 -1.68 1.56 -2.24 -1.26 -4.43 114.28 104.27 2fhq n THR 110 Ca -0.02 -0.92 -0.47 0.00 -2.27 0.00 0.00 64.05 60.36 2fhq n THR 110 Cb 0.08 0.65 -0.04 0.00 -2.10 0.00 0.00 70.33 68.92 2fhq n THR 110 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2fhq n ASP 111 N 1.38 3.47 0.00 3.42 4.64 0.09 -4.84 116.55 124.71 2fhq n ASP 111 Ca 0.20 0.99 0.09 0.00 -1.38 0.00 0.00 54.79 54.69 2fhq n ASP 111 Cb 0.57 -1.40 0.43 0.00 -1.04 0.00 0.00 41.12 39.69 2fhq n ASP 111 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2fhq n PRO 112 N 6.16 0.18 -0.01 -0.67 -0.04 -1.26 -1.93 135.00 137.43 2fhq n PRO 112 Ca 0.21 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 63.96 2fhq n PRO 112 Cb 0.31 -1.50 0.74 0.00 -0.04 0.00 0.00 33.50 33.00 2fhq n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2fhq n GLY 113 N 0.28 -0.61 3.46 0.55 0.00 -1.26 -4.69 105.19 102.91 2fhq n GLY 113 Ca 0.07 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.99 3.07 0.15 1.61 6.04 -0.81 -1.03 117.35 124.40 2fhq s TYR 114 Ca 0.42 -0.42 0.05 0.00 0.04 0.00 0.00 57.07 57.16 2fhq s TYR 114 Cb 0.20 -2.15 -0.04 0.00 -1.04 0.00 0.00 41.96 38.93 2fhq s TYR 114 CO 0.33 -0.27 -0.11 0.14 -1.54 0.00 0.00 175.55 174.10 2fhq s VAL 115 N 1.24 1.28 -0.04 3.14 -7.23 -0.93 -4.83 120.40 113.04 2fhq s VAL 115 Ca 0.04 -2.06 -0.03 0.00 -1.81 0.00 0.00 61.98 58.13 2fhq s VAL 115 Cb -0.15 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.90 2fhq s VAL 115 CO 0.02 -0.69 0.12 -0.76 -0.31 0.00 0.00 175.10 173.48 2fhq s LEU 116 N -3.13 4.15 -0.21 1.32 1.43 -0.27 -1.89 118.68 120.08 2fhq s LEU 116 Ca 0.17 0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.53 2fhq s LEU 116 Cb 0.01 -2.32 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 2fhq s LEU 116 CO 0.02 0.31 -0.06 -0.76 0.23 0.00 0.00 176.35 176.09 2fhq s LEU 117 N -1.59 2.85 -0.32 1.79 1.43 -1.26 0.50 118.68 122.09 2fhq s LEU 117 Ca 0.22 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 2fhq s LEU 117 Cb -0.12 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.38 2fhq s LEU 117 CO 0.13 0.00 0.16 -0.75 0.23 0.00 0.00 176.35 176.12 2fhq s LYS 118 N 1.34 3.30 -0.23 1.70 2.20 0.37 -4.33 119.74 124.08 2fhq s LYS 118 Ca 0.04 -0.74 -0.12 0.00 -0.36 0.00 0.00 55.97 54.79 2fhq s LYS 118 Cb -0.14 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.55 2fhq s LYS 118 CO -0.03 -0.44 0.23 0.12 -0.36 0.00 0.00 175.35 174.87 2fhq s PHE 119 N 1.61 3.32 -0.27 4.03 2.19 -0.30 -0.56 117.98 128.00 2fhq s PHE 119 Ca 0.04 0.33 -0.02 0.00 0.33 0.00 0.00 56.93 57.61 2fhq s PHE 119 Cb -0.17 -2.35 0.03 0.00 -1.31 0.00 0.00 43.02 39.22 2fhq s PHE 119 CO 0.06 0.02 -0.03 0.99 1.83 0.00 0.00 175.22 178.10 2fhq s THR 120 N 1.20 2.98 0.39 0.12 2.01 0.50 -1.31 115.64 121.52 2fhq s THR 120 Ca 0.11 -1.14 -0.25 0.00 0.31 0.00 0.00 61.69 60.72 2fhq s THR 120 Cb -0.14 -2.59 -0.09 0.00 0.01 0.00 0.00 72.50 69.70 2fhq s THR 120 CO 0.06 0.08 1.09 0.00 -0.69 0.00 0.00 174.62 175.16 2fhq s ALA 121 N 1.31 3.13 0.00 7.40 0.00 -0.28 -1.54 121.76 131.78 2fhq s ALA 121 Ca -0.02 0.80 0.00 0.00 0.00 0.00 0.00 51.96 52.74 2fhq s ALA 121 Cb -0.18 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.63 2fhq s ALA 121 CO -0.03 -0.30 0.00 0.27 0.00 0.00 0.00 175.76 175.70 2fhq n ASN 122 N 0.10 0.61 -3.78 0.00 0.23 -1.26 -4.92 115.26 106.24 2fhq n ASN 122 Ca 0.04 -0.40 -0.12 0.00 -0.53 0.00 0.00 54.58 53.57 2fhq n ASN 122 Cb 0.48 0.93 -0.08 0.00 -2.08 0.00 0.00 39.78 39.03 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 -1.05 -0.10 0.00 -2.53 2.46 -1.26 -1.27 115.29 111.54 2fhq s HIS 123 Ca 0.00 0.03 0.01 0.00 0.47 0.00 0.00 55.06 55.57 2fhq s HIS 123 Cb 0.00 0.06 -0.00 0.00 -0.13 0.00 0.00 32.58 32.51 2fhq s HIS 123 CO 0.00 -0.43 -0.03 0.00 -2.47 0.00 0.00 174.74 171.80 2fhq s ALA 124 N -2.00 0.28 -0.15 1.58 0.00 0.85 -4.41 121.76 117.91 2fhq s ALA 124 Ca -0.09 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.70 2fhq s ALA 124 Cb -0.03 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.05 2fhq s ALA 124 CO -0.00 0.06 -0.18 0.99 0.00 0.00 0.00 175.76 176.63 2fhq s THR 125 N -0.18 1.80 -0.12 0.00 2.01 0.09 0.26 115.64 119.50 2fhq s THR 125 Ca 0.00 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.21 2fhq s THR 125 Cb -0.02 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 2fhq s THR 125 CO -0.00 0.50 -0.14 -0.31 -0.69 0.00 0.00 174.62 173.98 2fhq s TYR 126 N 1.17 2.79 -0.71 4.92 1.51 0.30 -1.11 117.35 126.21 2fhq s TYR 126 Ca -0.00 -0.64 0.05 0.00 -1.01 0.00 0.00 57.07 55.47 2fhq s TYR 126 Cb -0.14 -1.82 0.17 0.00 -0.11 0.00 0.00 41.96 40.06 2fhq s TYR 126 CO -0.07 -0.20 0.50 0.91 -1.11 0.00 0.00 175.55 175.58 2fhq n TRP 127 N 3.44 3.22 -4.25 2.71 8.01 0.68 -2.30 117.44 128.95 2fhq n TRP 127 Ca -0.18 -4.30 -0.26 0.00 -1.31 0.00 0.00 57.50 51.44 2fhq n TRP 127 Cb 0.53 -0.62 -0.17 0.00 -2.01 0.00 0.00 31.31 29.04 2fhq n TRP 127 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.69 177.10 2fhq s ILE 128 N -1.48 1.14 -1.37 -0.99 1.01 -0.85 -1.09 121.20 117.56 2fhq s ILE 128 Ca 0.25 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.48 2fhq s ILE 128 Cb -0.04 -1.09 -0.00 0.00 0.01 0.00 0.00 42.46 41.35 2fhq s ILE 128 CO -0.17 0.37 0.49 -0.62 0.00 0.00 0.00 174.94 175.01 2fhq n GLU 129 N 4.38 -3.54 -0.86 2.79 1.02 -1.26 -1.51 120.64 121.66 2fhq n GLU 129 Ca -0.18 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2fhq n GLU 129 Cb 0.51 -4.64 0.00 0.00 -0.02 0.00 0.00 31.44 27.29 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 -1.89 0.92 3.39 0.62 0.00 -1.26 -5.03 105.19 101.95 2fhq n GLY 130 Ca -0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.70 2.86 -0.23 2.61 2.01 -0.57 -5.11 115.64 113.52 2fhq s THR 131 Ca 0.00 -0.77 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 2fhq s THR 131 Cb 0.00 -2.14 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 2fhq s THR 131 CO 0.00 0.56 0.01 0.12 -0.69 0.00 0.00 174.62 174.62 2fhq s PHE 132 N -0.20 3.02 -0.03 4.92 2.19 -1.26 -2.01 117.98 124.61 2fhq s PHE 132 Ca -0.00 -0.67 0.02 0.00 0.33 0.00 0.00 56.93 56.61 2fhq s PHE 132 Cb -0.13 -2.16 0.00 0.00 -1.31 0.00 0.00 43.02 39.42 2fhq s PHE 132 CO 0.03 -0.44 -0.09 0.42 1.83 0.00 0.00 175.22 176.97 2fhq s ILE 133 N 1.50 0.80 -0.28 3.12 1.01 -0.97 -5.00 121.20 121.37 2fhq s ILE 133 Ca 0.06 -0.36 0.02 0.00 0.00 0.00 0.00 60.65 60.36 2fhq s ILE 133 Cb -0.15 -0.71 0.08 0.00 0.01 0.00 0.00 42.46 41.69 2fhq s ILE 133 CO 0.00 0.25 -0.01 -2.28 0.00 0.00 0.00 174.94 172.90 2fhq s HIS 134 N 0.22 2.88 -0.05 3.97 2.46 -1.26 -0.54 115.29 122.96 2fhq s HIS 134 Ca -0.04 -2.24 0.01 0.00 0.47 0.00 0.00 55.06 53.26 2fhq s HIS 134 Cb -0.09 -2.07 0.02 0.00 -0.13 0.00 0.00 32.58 30.31 2fhq s HIS 134 CO 0.01 -0.86 -0.05 0.21 -2.47 0.00 0.00 174.74 171.58 2fhq s LYS 135 N 1.22 0.92 0.40 2.88 2.47 0.14 -5.00 119.74 122.77 2fhq s LYS 135 Ca 0.01 -0.12 -0.26 0.00 -1.56 0.00 0.00 55.97 54.04 2fhq s LYS 135 Cb -0.19 -0.95 -0.09 0.00 -1.46 0.00 0.00 37.83 35.15 2fhq s LYS 135 CO -0.09 -0.11 1.25 0.21 0.16 0.00 0.00 175.35 176.77 2fhq s LYS 136 N 1.06 4.02 0.00 4.03 2.20 -1.26 -0.10 119.74 129.68 2fhq s LYS 136 Ca -0.09 2.03 0.24 0.00 -0.36 0.00 0.00 55.97 57.80 2fhq s LYS 136 Cb -0.14 -2.74 0.28 0.00 -1.51 0.00 0.00 37.83 33.72 2fhq s LYS 136 CO -0.01 -0.41 1.31 1.28 -0.36 0.00 0.00 175.35 177.17