#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgi s LEU 2 N 0.00 3.66 -0.11 -0.89 1.43 -1.26 -4.78 118.68 116.73 2hgi s LEU 2 Ca 0.00 -1.96 -0.05 0.00 -1.03 0.00 0.00 54.13 51.09 2hgi s LEU 2 Cb 0.00 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2hgi s LEU 2 CO 0.00 -1.39 0.12 0.74 0.23 0.00 0.00 176.35 176.05 2hgi h THR 3 N 6.16 0.29 -2.19 5.49 2.02 -2.05 -3.46 112.91 119.16 2hgi h THR 3 Ca 0.33 -1.22 -0.40 0.00 0.77 0.00 0.00 66.41 65.89 2hgi h THR 3 Cb 0.94 0.55 -0.34 0.00 -1.74 0.00 0.00 68.15 67.56 2hgi h THR 3 CO 1.44 0.10 -0.70 1.51 0.37 0.00 0.00 175.52 178.24 2hgi s ASP 4 N -5.67 1.83 0.32 4.18 -4.77 -1.26 -4.99 116.67 106.31 2hgi s ASP 4 Ca -0.04 -1.30 0.10 0.00 -3.30 0.00 0.00 52.55 48.01 2hgi s ASP 4 Cb -0.00 0.33 0.96 0.00 -1.09 0.00 0.00 42.92 43.12 2hgi s ASP 4 CO 0.12 -0.33 1.63 -0.65 0.70 0.00 0.00 175.17 176.64 2hgi h PRO 5 N 7.66 0.20 0.00 2.11 0.11 -1.98 -0.42 132.00 139.68 2hgi h PRO 5 Ca -0.05 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.05 2hgi h PRO 5 Cb 1.05 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.11 2hgi h PRO 5 CO 0.29 0.13 0.00 1.51 -0.21 0.00 0.00 178.00 179.71 2hgi n ILE 6 N -5.19 0.00 -0.25 4.15 0.00 -1.26 0.79 119.36 117.60 2hgi n ILE 6 Ca 0.28 0.63 -0.06 0.00 0.00 0.00 0.00 62.75 63.60 2hgi n ILE 6 Cb 0.90 -0.97 -0.00 0.00 0.00 0.00 0.00 39.64 39.57 2hgi n ILE 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hgi h ALA 7 N -1.48 -0.12 -0.70 1.51 0.00 -1.62 -1.29 119.26 115.56 2hgi h ALA 7 Ca 0.00 0.17 0.07 0.00 0.00 0.00 0.00 54.91 55.15 2hgi h ALA 7 Cb 0.00 0.91 -0.09 0.00 0.00 0.00 0.00 17.79 18.61 2hgi h ALA 7 CO 0.00 -0.73 -0.38 -3.47 0.00 0.00 0.00 179.25 174.67 2hgi n ASP 8 N -5.43 -0.68 0.38 0.00 4.64 0.24 0.42 116.55 116.11 2hgi n ASP 8 Ca 0.04 1.24 -0.15 0.00 -1.38 0.00 0.00 54.79 54.55 2hgi n ASP 8 Cb 0.36 -0.19 -0.07 0.00 -1.04 0.00 0.00 41.12 40.18 2hgi n ASP 8 CO 0.00 0.00 0.00 -0.03 -0.82 0.00 0.00 177.20 176.35 2hgi h MET 9 N 0.00 -0.94 -0.27 -0.67 4.05 -0.11 -0.05 114.93 116.93 2hgi h MET 9 Ca 0.14 0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.66 2hgi h MET 9 Cb 0.32 0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 31.29 2hgi h MET 9 CO -0.67 -0.63 -0.13 1.28 0.23 0.00 0.00 176.91 177.00 2hgi n LEU 10 N -4.93 -0.22 0.00 3.39 4.77 0.17 -1.02 117.00 119.16 2hgi n LEU 10 Ca -0.12 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 2hgi n LEU 10 Cb 0.39 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2hgi n LEU 10 CO 0.29 -0.41 0.24 0.35 -1.33 0.00 0.00 177.39 176.54 2hgi n THR 11 N -4.37 0.00 -0.66 -5.08 -2.24 -0.22 -1.51 114.28 100.20 2hgi n THR 11 Ca 0.02 0.92 0.50 0.00 -2.27 0.00 0.00 64.05 63.22 2hgi n THR 11 Cb 0.09 -1.78 0.77 0.00 -2.10 0.00 0.00 70.33 67.32 2hgi n THR 11 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2hgi n ARG 12 N -0.73 -0.00 0.00 -0.78 1.85 -0.06 0.72 116.66 117.66 2hgi n ARG 12 Ca 0.00 1.04 0.00 0.00 -1.00 0.00 0.00 57.85 57.89 2hgi n ARG 12 Cb 0.00 -2.37 0.00 0.00 -1.05 0.00 0.00 32.46 29.04 2hgi n ARG 12 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2hgi n ILE 13 N -3.87 0.00 -0.33 8.89 5.41 -0.19 -0.74 119.36 128.54 2hgi n ILE 13 Ca 0.42 0.60 0.24 0.00 1.00 0.00 0.00 62.75 65.01 2hgi n ILE 13 Cb 1.90 -1.50 0.47 0.00 -0.71 0.00 0.00 39.64 39.80 2hgi n ILE 13 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 2hgi h ARG 14 N 0.00 0.22 -0.00 0.38 -0.00 0.14 -0.28 114.38 114.83 2hgi h ARG 14 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.97 2hgi h ARG 14 Cb 0.00 -0.05 -0.00 0.00 -0.00 0.00 0.00 29.97 29.92 2hgi h ARG 14 CO 0.00 0.14 -0.04 -0.91 -0.00 0.00 0.00 179.97 179.16 2hgi h ASN 15 N 0.22 -0.14 -0.71 0.08 2.35 -0.89 0.46 115.58 116.95 2hgi h ASN 15 Ca 0.73 0.02 0.14 0.00 -0.55 0.00 0.00 56.30 56.64 2hgi h ASN 15 Cb 1.71 0.05 -0.10 0.00 0.05 0.00 0.00 38.32 40.04 2hgi h ASN 15 CO -0.66 -0.04 0.21 0.00 -1.65 0.00 0.00 177.43 175.28 2hgi h ALA 16 N -1.38 0.93 -0.70 -0.83 0.00 0.15 -0.52 119.26 116.92 2hgi h ALA 16 Ca 0.00 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.11 2hgi h ALA 16 Cb 0.06 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.93 2hgi h ALA 16 CO -0.03 -0.29 -0.41 2.41 0.00 0.00 0.00 179.25 180.93 2hgi n THR 17 N -5.10 -0.47 -0.14 0.00 -1.04 0.02 -0.79 114.28 106.76 2hgi n THR 17 Ca 0.13 1.73 -0.04 0.00 -2.04 0.00 0.00 64.05 63.83 2hgi n THR 17 Cb 0.41 -2.14 -0.03 0.00 -1.82 0.00 0.00 70.33 66.74 2hgi n THR 17 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2hgi n ARG 18 N -4.82 -0.14 -0.01 -2.82 3.00 -0.20 -0.59 116.66 111.07 2hgi n ARG 18 Ca 0.01 0.55 0.12 0.00 -0.01 0.00 0.00 57.85 58.52 2hgi n ARG 18 Cb 0.18 -0.80 0.64 0.00 0.00 0.00 0.00 32.46 32.48 2hgi n ARG 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2hgi n VAL 19 N -4.20 0.03 -2.32 1.55 0.24 0.03 -4.89 118.33 108.77 2hgi n VAL 19 Ca 0.01 -0.08 -0.10 0.00 -2.04 0.00 0.00 64.34 62.12 2hgi n VAL 19 Cb 0.09 -0.16 0.00 0.00 -1.47 0.00 0.00 33.84 32.30 2hgi n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2hgi n TYR 20 N -0.57 -0.62 -0.42 6.34 4.01 0.25 -4.88 117.16 121.26 2hgi n TYR 20 Ca 0.18 0.07 -0.22 0.00 -0.16 0.00 0.00 57.90 57.78 2hgi n TYR 20 Cb 0.15 -2.54 -0.04 0.00 -0.31 0.00 0.00 39.34 36.60 2hgi n TYR 20 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2hgi n LYS 21 N -2.09 0.61 0.00 -0.72 4.76 -1.25 -4.81 118.16 114.66 2hgi n LYS 21 Ca -0.10 -0.99 0.00 0.00 -2.87 0.00 0.00 58.31 54.35 2hgi n LYS 21 Cb 0.58 -2.34 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 2hgi n LYS 21 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2hgi n GLU 22 N 5.87 0.00 0.00 1.97 1.02 -1.26 -4.05 120.64 124.20 2hgi n GLU 22 Ca 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 2hgi n GLU 22 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.61 2hgi n GLU 22 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2hgi n SER 23 N -1.10 0.00 0.00 1.62 7.64 -1.26 -1.72 113.62 118.79 2hgi n SER 23 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2hgi n SER 23 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2hgi n SER 23 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2hgi n THR 24 N 0.00 0.00 -3.82 0.44 5.66 -1.19 -3.78 114.28 111.59 2hgi n THR 24 Ca 0.00 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.89 2hgi n THR 24 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 2hgi n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2hgi s ASP 25 N 0.00 -0.03 0.13 1.09 1.11 -1.26 -0.88 116.67 116.82 2hgi s ASP 25 Ca 0.00 -0.23 -0.00 0.00 0.18 0.00 0.00 52.55 52.50 2hgi s ASP 25 Cb 0.00 0.29 -0.04 0.00 1.07 0.00 0.00 42.92 44.24 2hgi s ASP 25 CO 0.00 -0.51 0.03 0.54 1.18 0.00 0.00 175.17 176.40 2hgi s VAL 26 N -2.14 0.27 -0.52 -1.27 0.11 0.12 -4.92 120.40 112.06 2hgi s VAL 26 Ca -0.08 -1.91 -0.29 0.00 -2.93 0.00 0.00 61.98 56.76 2hgi s VAL 26 Cb -0.03 -1.97 -0.15 0.00 -1.53 0.00 0.00 36.38 32.70 2hgi s VAL 26 CO -0.01 -0.56 1.76 -2.65 -3.33 0.00 0.00 175.10 170.30 2hgi n PRO 27 N -0.10 0.00 -1.95 1.54 -0.02 -1.26 -0.96 135.00 132.25 2hgi n PRO 27 Ca -0.07 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.00 2hgi n PRO 27 Cb 0.63 -1.12 -0.01 0.00 -0.02 0.00 0.00 33.50 32.98 2hgi n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgi s ALA 28 N 5.34 3.57 0.00 3.55 0.00 -0.67 -4.68 121.76 128.87 2hgi s ALA 28 Ca 0.94 1.42 0.00 0.00 0.00 0.00 0.00 51.96 54.32 2hgi s ALA 28 Cb -1.05 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 18.52 2hgi s ALA 28 CO 0.44 -0.84 0.00 0.45 0.00 0.00 0.00 175.76 175.81 2hgi n SER 29 N 1.07 0.00 0.00 0.00 2.88 -1.26 -4.97 113.62 111.33 2hgi n SER 29 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2hgi n SER 29 Cb 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 2hgi n SER 29 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2hgi n ARG 30 N -0.10 0.00 0.00 -1.46 1.74 -1.26 -1.13 116.66 114.45 2hgi n ARG 30 Ca 0.00 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.23 2hgi n ARG 30 Cb 0.00 -0.62 0.00 0.00 -1.02 0.00 0.00 32.46 30.82 2hgi n ARG 30 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hgi n PHE 31 N -0.30 0.00 -0.35 -1.55 7.35 -1.26 0.03 117.46 121.38 2hgi n PHE 31 Ca 0.00 0.00 0.03 0.00 -0.76 0.00 0.00 57.45 56.72 2hgi n PHE 31 Cb 0.00 0.00 0.11 0.00 0.35 0.00 0.00 39.48 39.94 2hgi n PHE 31 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 2hgi h LYS 32 N 0.00 -0.01 -0.02 -4.13 2.10 -1.94 0.55 116.57 113.11 2hgi h LYS 32 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2hgi h LYS 32 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2hgi h LYS 32 CO 0.00 -0.00 -0.01 -1.91 -2.00 0.00 0.00 179.45 175.52 2hgi n GLU 33 N -5.57 -0.01 -0.14 0.07 0.00 0.10 0.32 120.64 115.42 2hgi n GLU 33 Ca 0.14 0.86 0.25 0.00 0.00 0.00 0.00 57.16 58.41 2hgi n GLU 33 Cb 0.46 -1.28 0.69 0.00 0.00 0.00 0.00 31.44 31.31 2hgi n GLU 33 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 2hgi h GLU 34 N 0.00 0.04 0.50 5.31 4.81 0.18 -0.64 114.58 124.78 2hgi h GLU 34 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2hgi h GLU 34 Cb 0.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2hgi h GLU 34 CO -0.02 0.03 -0.24 0.82 -0.73 0.00 0.00 179.01 178.87 2hgi h ILE 35 N 0.04 0.45 -0.78 2.32 1.08 0.72 -0.21 117.51 121.13 2hgi h ILE 35 Ca 0.38 -0.31 0.19 0.00 -0.39 0.00 0.00 64.86 64.74 2hgi h ILE 35 Cb 1.47 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 2hgi h ILE 35 CO -0.02 0.05 0.54 0.17 -0.69 0.00 0.00 178.15 178.20 2hgi h LEU 36 N -0.87 0.20 0.00 1.44 -0.00 0.23 0.19 115.31 116.50 2hgi h LEU 36 Ca -0.07 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 2hgi h LEU 36 Cb 0.59 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2hgi h LEU 36 CO 0.11 0.09 0.00 -1.14 -0.00 0.00 0.00 178.44 177.50 2hgi n ARG 37 N -4.41 0.00 -0.37 0.17 0.00 -0.37 -1.17 116.66 110.51 2hgi n ARG 37 Ca 0.16 0.51 0.34 0.00 -0.00 0.00 0.00 57.85 58.87 2hgi n ARG 37 Cb 0.71 -1.27 0.61 0.00 0.00 0.00 0.00 32.46 32.52 2hgi n ARG 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2hgi n ILE 38 N -1.68 -0.35 -0.06 5.15 2.08 0.44 0.28 119.36 125.22 2hgi n ILE 38 Ca 0.00 1.92 -0.12 0.00 0.56 0.00 0.00 62.75 65.11 2hgi n ILE 38 Cb 0.00 -3.12 -0.08 0.00 -0.75 0.00 0.00 39.64 35.69 2hgi n ILE 38 CO 0.00 0.00 0.00 0.25 0.56 0.00 0.00 176.55 177.36 2hgi h LEU 39 N 0.00 -1.45 -0.18 1.39 7.12 -0.02 0.23 115.31 122.40 2hgi h LEU 39 Ca 0.85 0.18 -0.01 0.00 0.13 0.00 0.00 57.88 59.03 2hgi h LEU 39 Cb 2.42 0.58 -0.01 0.00 -0.53 0.00 0.00 40.66 43.13 2hgi h LEU 39 CO -0.65 -0.36 0.09 0.00 -0.13 0.00 0.00 178.44 177.39 2hgi h ALA 40 N -0.41 0.23 -1.23 1.25 0.00 0.14 -2.80 119.26 116.43 2hgi h ALA 40 Ca 0.04 -0.07 0.36 0.00 0.00 0.00 0.00 54.91 55.24 2hgi h ALA 40 Cb 0.51 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2hgi h ALA 40 CO -0.42 -0.22 0.87 -2.13 0.00 0.00 0.00 179.25 177.35 2hgi n ARG 41 N -4.89 -0.00 0.00 0.00 0.00 0.16 0.56 116.66 112.48 2hgi n ARG 41 Ca -0.04 0.72 0.06 0.00 -0.00 0.00 0.00 57.85 58.60 2hgi n ARG 41 Cb 0.09 -1.63 0.02 0.00 0.00 0.00 0.00 32.46 30.94 2hgi n ARG 41 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2hgi n GLU 42 N -3.38 1.55 0.00 -0.14 -0.58 -0.31 -5.04 120.64 112.74 2hgi n GLU 42 Ca 0.29 -0.87 0.00 0.00 -0.42 0.00 0.00 57.16 56.15 2hgi n GLU 42 Cb 1.27 -1.18 0.00 0.00 -0.57 0.00 0.00 31.44 30.96 2hgi n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2hgi n GLY 43 N 0.89 0.17 5.48 0.62 0.00 2.23 -5.04 105.19 109.55 2hgi n GLY 43 Ca 0.06 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2hgi n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2hgi n PHE 44 N 0.40 0.00 -2.25 1.61 3.72 -1.26 -2.93 117.46 116.75 2hgi n PHE 44 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.99 2hgi n PHE 44 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 2hgi n PHE 44 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 176.76 175.21 2hgi s ILE 45 N 0.00 3.67 0.10 4.37 2.07 -1.26 -4.37 121.20 125.78 2hgi s ILE 45 Ca 0.00 0.58 0.21 0.00 -1.41 0.00 0.00 60.65 60.03 2hgi s ILE 45 Cb 0.00 -4.18 0.21 0.00 0.13 0.00 0.00 42.46 38.61 2hgi s ILE 45 CO 0.00 -0.95 1.58 0.11 -1.91 0.00 0.00 174.94 173.78 2hgi h LYS 46 N 12.06 0.00 0.00 3.50 1.57 -0.33 -3.40 116.57 129.97 2hgi h LYS 46 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2hgi h LYS 46 Cb 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2hgi h LYS 46 CO 1.15 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.44 2hgi n GLY 47 N -1.26 2.91 3.33 3.86 0.00 -1.24 -4.90 105.19 107.89 2hgi n GLY 47 Ca -0.01 -0.21 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 2hgi n GLY 47 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hgi s TYR 48 N -1.29 1.55 -0.01 1.61 -0.85 -1.26 -1.20 117.35 115.91 2hgi s TYR 48 Ca 0.00 -0.94 -0.04 0.00 -0.52 0.00 0.00 57.07 55.57 2hgi s TYR 48 Cb 0.00 -0.90 0.01 0.00 0.38 0.00 0.00 41.96 41.45 2hgi s TYR 48 CO 0.00 -0.06 0.20 -0.85 -1.52 0.00 0.00 175.55 173.32 2hgi n GLU 49 N -0.42 0.00 -3.91 -3.49 -0.00 -0.09 -4.94 120.64 107.80 2hgi n GLU 49 Ca -0.05 -0.08 -0.35 0.00 -0.00 0.00 0.00 57.16 56.68 2hgi n GLU 49 Cb 0.64 0.15 -0.14 0.00 -0.00 0.00 0.00 31.44 32.09 2hgi n GLU 49 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2hgi s ARG 50 N -2.00 2.70 0.14 3.44 3.00 -1.26 -1.14 118.95 123.83 2hgi s ARG 50 Ca 0.05 -1.08 0.03 0.00 0.00 0.00 0.00 55.73 54.73 2hgi s ARG 50 Cb -0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 34.95 31.79 2hgi s ARG 50 CO -0.00 -0.50 0.20 0.08 0.00 0.00 0.00 175.30 175.08 2hgi s VAL 51 N 1.32 4.93 -0.22 3.52 1.01 0.17 -4.98 120.40 126.15 2hgi s VAL 51 Ca -0.02 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.14 2hgi s VAL 51 Cb -0.18 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 32.72 2hgi s VAL 51 CO -0.02 -0.06 -0.14 -1.81 0.00 0.00 0.00 175.10 173.07 2hgi s ASP 52 N -3.06 3.80 -0.49 3.32 -0.00 -1.26 -0.84 116.67 118.13 2hgi s ASP 52 Ca 0.33 -0.91 -0.06 0.00 -0.00 0.00 0.00 52.55 51.91 2hgi s ASP 52 Cb -0.11 -1.55 0.13 0.00 -0.00 0.00 0.00 42.92 41.39 2hgi s ASP 52 CO 0.26 -0.08 0.33 -0.69 -0.00 0.00 0.00 175.17 174.99 2hgi s VAL 53 N 1.25 3.86 -0.25 -1.27 1.01 -0.18 -4.67 120.40 120.15 2hgi s VAL 53 Ca -0.00 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 59.86 2hgi s VAL 53 Cb -0.16 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.66 2hgi s VAL 53 CO -0.09 -0.78 0.00 0.47 0.00 0.00 0.00 175.10 174.71 2hgi n ASP 54 N 4.50 -5.16 0.00 3.32 9.92 -1.26 -0.48 116.55 127.39 2hgi n ASP 54 Ca -0.02 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2hgi n ASP 54 Cb 0.41 -2.87 0.00 0.00 -0.64 0.00 0.00 41.12 38.02 2hgi n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2hgi n GLY 55 N -0.20 0.35 3.49 0.44 0.00 -1.26 -5.02 105.19 102.98 2hgi n GLY 55 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 2hgi n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgi s LYS 56 N -0.80 3.22 -0.42 1.61 3.01 0.37 -4.98 119.74 121.74 2hgi s LYS 56 Ca 0.00 -0.51 -0.28 0.00 -1.01 0.00 0.00 55.97 54.16 2hgi s LYS 56 Cb 0.00 -4.14 -0.08 0.00 -1.01 0.00 0.00 37.83 32.60 2hgi s LYS 56 CO 0.00 -1.69 2.35 -2.30 0.51 0.00 0.00 175.35 174.22 2hgi n PRO 57 N 7.73 1.26 -4.59 -1.68 -0.02 -1.26 -1.01 135.00 135.42 2hgi n PRO 57 Ca -0.01 0.20 -0.34 0.00 -2.02 0.00 0.00 63.50 61.33 2hgi n PRO 57 Cb 0.47 -3.11 -0.11 0.00 -0.02 0.00 0.00 33.50 30.73 2hgi n PRO 57 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 2hgi s TYR 58 N 10.15 2.96 -0.14 6.00 5.04 -0.02 -1.68 117.35 139.67 2hgi s TYR 58 Ca 1.03 0.04 -0.08 0.00 -2.44 0.00 0.00 57.07 55.63 2hgi s TYR 58 Cb -0.40 -1.72 -0.04 0.00 0.35 0.00 0.00 41.96 40.15 2hgi s TYR 58 CO 0.34 0.35 0.14 -0.51 -1.34 0.00 0.00 175.55 174.52 2hgi s LEU 59 N -0.84 4.33 0.16 6.97 1.43 -0.13 -0.65 118.68 129.95 2hgi s LEU 59 Ca 0.13 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 2hgi s LEU 59 Cb -0.11 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2hgi s LEU 59 CO 0.02 0.35 -0.03 -0.60 0.23 0.00 0.00 176.35 176.32 2hgi s ARG 60 N -0.68 1.06 0.31 1.70 3.52 -0.29 -0.70 118.95 123.87 2hgi s ARG 60 Ca 0.13 -1.49 -0.15 0.00 -0.13 0.00 0.00 55.73 54.10 2hgi s ARG 60 Cb -0.12 -0.33 0.02 0.00 -1.56 0.00 0.00 34.95 32.97 2hgi s ARG 60 CO 0.03 -0.07 0.63 0.08 -0.81 0.00 0.00 175.30 175.15 2hgi s VAL 61 N -3.59 0.00 -0.01 7.11 1.01 -0.06 -0.91 120.40 123.95 2hgi s VAL 61 Ca 0.21 -1.21 0.04 0.00 0.00 0.00 0.00 61.98 61.02 2hgi s VAL 61 Cb 0.05 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 2hgi s VAL 61 CO 0.02 0.00 -0.13 -0.31 0.00 0.00 0.00 175.10 174.68 2hgi s TYR 62 N -3.41 1.15 0.00 5.22 2.02 -0.34 -3.17 117.35 118.82 2hgi s TYR 62 Ca 0.18 -0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.66 2hgi s TYR 62 Cb -0.03 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.79 2hgi s TYR 62 CO 0.11 -0.01 0.00 1.47 -1.57 0.00 0.00 175.55 175.54 2hgi n LEU 63 N 2.69 0.00 0.00 -1.29 -0.00 -0.70 -1.68 117.00 116.02 2hgi n LEU 63 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 2hgi n LEU 63 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 2hgi n LEU 63 CO 0.24 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.80 2hgi n LYS 64 N 0.00 0.00 0.00 1.47 4.81 -1.26 -1.46 118.16 121.72 2hgi n LYS 64 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hgi n LYS 64 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2hgi n LYS 64 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2hgi n TYR 65 N 0.00 0.00 -0.16 5.64 4.02 -1.26 -1.63 117.16 123.77 2hgi n TYR 65 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2hgi n TYR 65 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2hgi n TYR 65 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2hgi n GLY 66 N -0.05 2.03 3.31 2.72 0.00 -1.26 -4.73 105.19 107.21 2hgi n GLY 66 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2hgi n GLY 66 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2hgi n PRO 67 N -2.00 3.60 -0.61 1.61 -0.02 -1.26 -4.94 135.00 131.38 2hgi n PRO 67 Ca 0.00 -4.21 -0.31 0.00 -2.02 0.00 0.00 63.50 56.96 2hgi n PRO 67 Cb 0.00 -2.73 0.20 0.00 -0.02 0.00 0.00 33.50 30.95 2hgi n PRO 67 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2hgi n ARG 68 N 3.56 -1.94 0.00 -0.52 0.00 -1.26 -3.97 116.66 112.53 2hgi n ARG 68 Ca 0.29 -0.55 0.00 0.00 -0.00 0.00 0.00 57.85 57.60 2hgi n ARG 68 Cb 0.39 -1.81 0.00 0.00 0.00 0.00 0.00 32.46 31.05 2hgi n ARG 68 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2hgi n ARG 69 N -2.84 0.00 0.00 -0.14 1.85 -1.23 -4.85 116.66 109.45 2hgi n ARG 69 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2hgi n ARG 69 Cb 0.60 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 2hgi n ARG 69 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2hgi n GLN 70 N 0.00 0.00 0.03 2.89 1.13 -1.26 -4.30 117.38 115.87 2hgi n GLN 70 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2hgi n GLN 70 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2hgi n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2hgi n GLY 71 N 0.00 -0.03 3.13 1.08 0.00 -1.26 -4.82 105.19 103.29 2hgi n GLY 71 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2hgi n GLY 71 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2hgi n PRO 72 N -2.91 3.04 0.00 1.61 -0.04 -1.26 -4.58 135.00 130.85 2hgi n PRO 72 Ca 0.00 -2.96 0.00 0.00 -0.04 0.00 0.00 63.50 60.50 2hgi n PRO 72 Cb 0.00 -3.37 0.00 0.00 -0.04 0.00 0.00 33.50 30.09 2hgi n PRO 72 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2hgi n ASP 73 N 7.05 0.00 -0.00 3.54 4.64 -1.26 -5.09 116.55 125.43 2hgi n ASP 73 Ca 0.50 0.00 -0.00 0.00 -1.38 0.00 0.00 54.79 53.91 2hgi n ASP 73 Cb 0.42 0.00 -0.00 0.00 -1.04 0.00 0.00 41.12 40.50 2hgi n ASP 73 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 2hgi h PRO 74 N 0.00 0.00 0.00 -0.67 0.13 -1.81 -3.38 132.00 126.27 2hgi h PRO 74 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2hgi h PRO 74 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2hgi h PRO 74 CO 0.00 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.31 2hgi n ARG 75 N -2.28 0.00 -0.45 0.86 1.74 -1.26 -3.48 116.66 111.80 2hgi n ARG 75 Ca -0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2hgi n ARG 75 Cb 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 2hgi n ARG 75 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 2hgi n PRO 76 N 0.34 1.98 0.00 5.56 -0.02 -1.25 -4.83 135.00 136.77 2hgi n PRO 76 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2hgi n PRO 76 Cb 0.00 -0.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.88 2hgi n PRO 76 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2hgi n GLU 77 N 1.80 0.00 0.00 -0.52 0.00 -1.26 -4.87 120.64 115.79 2hgi n GLU 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2hgi n GLU 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2hgi n GLU 77 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2hgi n GLN 78 N 0.00 0.00 0.00 5.31 -0.06 -1.26 -5.03 117.38 116.34 2hgi n GLN 78 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2hgi n GLN 78 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2hgi n GLN 78 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 2hgi n VAL 79 N 0.00 0.00 -1.43 1.69 0.31 -0.65 -3.29 118.33 114.97 2hgi n VAL 79 Ca 0.00 1.38 -0.50 0.00 -0.01 0.00 0.00 64.34 65.21 2hgi n VAL 79 Cb 0.00 -2.05 -0.08 0.00 -0.91 0.00 0.00 33.84 30.79 2hgi n VAL 79 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 2hgi n ILE 80 N -2.20 0.12 -0.08 2.52 -0.00 -1.25 -4.69 119.36 113.78 2hgi n ILE 80 Ca 0.00 -0.24 -0.17 0.00 -0.00 0.00 0.00 62.75 62.34 2hgi n ILE 80 Cb 0.00 -1.46 -0.06 0.00 -0.00 0.00 0.00 39.64 38.12 2hgi n ILE 80 CO 0.00 0.00 0.00 1.57 -0.00 0.00 0.00 176.55 178.12 2hgi n HIS 81 N 10.08 0.00 -3.72 1.39 -0.00 -1.10 -5.02 115.22 116.86 2hgi n HIS 81 Ca 0.45 0.00 -0.15 0.00 0.46 0.00 0.00 57.72 58.49 2hgi n HIS 81 Cb 0.20 -0.60 -0.15 0.00 -0.12 0.00 0.00 29.99 29.32 2hgi n HIS 81 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2hgi s HIS 82 N -2.38 -0.18 -0.09 1.57 5.65 0.47 -4.91 115.29 115.42 2hgi s HIS 82 Ca -0.25 0.55 0.02 0.00 0.25 0.00 0.00 55.06 55.64 2hgi s HIS 82 Cb 0.09 -0.14 0.01 0.00 -1.18 0.00 0.00 32.58 31.36 2hgi s HIS 82 CO 0.32 -0.21 -0.15 -1.50 -0.65 0.00 0.00 174.74 172.55 2hgi s ILE 83 N 1.59 1.38 -0.06 0.89 2.07 -1.25 -0.85 121.20 124.97 2hgi s ILE 83 Ca -0.05 -0.60 -0.05 0.00 -1.41 0.00 0.00 60.65 58.54 2hgi s ILE 83 Cb -0.12 -1.25 0.02 0.00 0.13 0.00 0.00 42.46 41.24 2hgi s ILE 83 CO -0.06 0.41 0.16 -0.60 -1.91 0.00 0.00 174.94 172.94 2hgi s ARG 84 N 0.75 0.17 0.56 3.50 3.00 -0.25 -4.98 118.95 121.71 2hgi s ARG 84 Ca -0.12 0.25 -0.10 0.00 -1.00 0.00 0.00 55.73 54.75 2hgi s ARG 84 Cb -0.16 0.05 -0.05 0.00 0.00 0.00 0.00 34.95 34.79 2hgi s ARG 84 CO 0.03 -0.05 0.95 0.50 0.00 0.00 0.00 175.30 176.73 2hgi s ARG 85 N 0.27 3.64 0.00 5.12 6.06 -1.26 -1.44 118.95 131.34 2hgi s ARG 85 Ca -0.02 0.63 0.00 0.00 -2.50 0.00 0.00 55.73 53.85 2hgi s ARG 85 Cb -0.03 -2.17 0.00 0.00 0.06 0.00 0.00 34.95 32.81 2hgi s ARG 85 CO -0.01 -0.41 0.00 -0.89 -2.50 0.00 0.00 175.30 171.49 2hgi n ILE 86 N -2.39 0.00 -0.41 4.11 -0.00 -0.32 -4.89 119.36 115.46 2hgi n ILE 86 Ca 0.05 0.00 -0.18 0.00 -0.00 0.00 0.00 62.75 62.62 2hgi n ILE 86 Cb 0.54 -0.19 -0.05 0.00 -0.00 0.00 0.00 39.64 39.95 2hgi n ILE 86 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2hgi n SER 87 N 0.00 0.24 -4.77 4.38 2.88 -0.91 -4.79 113.62 110.65 2hgi n SER 87 Ca 0.00 -1.78 -0.40 0.00 -1.33 0.00 0.00 58.87 55.36 2hgi n SER 87 Cb 0.00 -0.36 -0.03 0.00 -0.75 0.00 0.00 64.21 63.07 2hgi n SER 87 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2hgi s LYS 88 N 4.98 4.35 0.00 -1.46 2.20 -1.10 -4.50 119.74 124.21 2hgi s LYS 88 Ca 0.27 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.89 2hgi s LYS 88 Cb 0.06 -3.00 0.00 0.00 -1.51 0.00 0.00 37.83 33.38 2hgi s LYS 88 CO 0.14 -0.12 0.00 -0.35 -0.36 0.00 0.00 175.35 174.66 2hgi n PRO 89 N 0.71 0.00 0.00 4.03 -0.04 -1.26 0.20 135.00 138.64 2hgi n PRO 89 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2hgi n PRO 89 Cb 0.44 -1.32 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2hgi n PRO 89 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2hgi n GLY 90 N 1.23 0.00 2.78 0.55 0.00 -1.26 -4.99 105.19 103.50 2hgi n GLY 90 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2hgi n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgi s ARG 91 N -1.75 0.49 0.48 1.61 0.52 0.52 -5.13 118.95 115.68 2hgi s ARG 91 Ca 0.00 -0.46 -0.22 0.00 -0.52 0.00 0.00 55.73 54.53 2hgi s ARG 91 Cb 0.00 -0.65 -0.07 0.00 0.52 0.00 0.00 34.95 34.75 2hgi s ARG 91 CO 0.00 -1.11 1.14 1.03 0.02 0.00 0.00 175.30 176.38 2hgi s ARG 92 N 1.94 3.70 -0.33 3.54 3.00 -1.19 -2.71 118.95 126.90 2hgi s ARG 92 Ca 0.13 1.68 0.03 0.00 0.00 0.00 0.00 55.73 57.57 2hgi s ARG 92 Cb -0.14 -2.30 0.10 0.00 0.00 0.00 0.00 34.95 32.60 2hgi s ARG 92 CO -0.19 -0.57 0.05 0.08 0.00 0.00 0.00 175.30 174.67 2hgi s VAL 93 N -1.64 1.91 -0.01 3.52 1.01 -1.26 -4.88 120.40 119.05 2hgi s VAL 93 Ca 0.65 -2.06 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 2hgi s VAL 93 Cb -0.26 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 2hgi s VAL 93 CO 0.31 -0.58 0.55 -0.31 0.00 0.00 0.00 175.10 175.07 2hgi s TYR 94 N 1.10 3.68 -0.03 5.22 1.51 -1.26 -1.01 117.35 126.55 2hgi s TYR 94 Ca 0.09 1.13 -0.17 0.00 -1.01 0.00 0.00 57.07 57.12 2hgi s TYR 94 Cb -0.19 -2.55 0.03 0.00 -0.11 0.00 0.00 41.96 39.15 2hgi s TYR 94 CO -0.12 0.39 0.37 0.14 -1.11 0.00 0.00 175.55 175.21 2hgi s VAL 95 N -0.27 0.04 0.00 0.71 -7.23 -0.13 -4.96 120.40 108.56 2hgi s VAL 95 Ca 0.29 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.09 2hgi s VAL 95 Cb -0.18 -0.66 0.00 0.00 0.56 0.00 0.00 36.38 36.10 2hgi s VAL 95 CO 0.16 -0.20 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 2hgi n GLY 96 N 1.36 4.87 3.65 2.32 0.00 -1.26 -0.73 105.19 115.41 2hgi n GLY 96 Ca -0.21 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2hgi n GLY 96 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2hgi n VAL 97 N 0.00 0.00 -1.82 1.61 3.14 -1.17 -1.76 118.33 118.34 2hgi n VAL 97 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 2hgi n VAL 97 Cb 0.00 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.83 2hgi n VAL 97 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2hgi n LYS 98 N 7.31 2.73 -0.63 1.45 0.00 -1.26 -4.62 118.16 123.14 2hgi n LYS 98 Ca 0.00 -3.46 -0.08 0.00 -0.00 0.00 0.00 58.31 54.77 2hgi n LYS 98 Cb 0.00 -2.27 0.14 0.00 -0.00 0.00 0.00 35.03 32.90 2hgi n LYS 98 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2hgi n GLU 99 N -0.58 2.15 -2.12 -1.58 1.02 -0.72 -4.87 120.64 113.94 2hgi n GLU 99 Ca 0.55 -1.70 -0.42 0.00 -0.02 0.00 0.00 57.16 55.57 2hgi n GLU 99 Cb 0.30 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 2hgi n GLU 99 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2hgi s ILE 100 N -1.88 3.55 0.15 -3.67 1.09 -1.26 -4.87 121.20 114.31 2hgi s ILE 100 Ca 0.31 0.90 -0.18 0.00 -1.10 0.00 0.00 60.65 60.59 2hgi s ILE 100 Cb 0.26 -3.58 0.02 0.00 -1.06 0.00 0.00 42.46 38.10 2hgi s ILE 100 CO 0.07 -0.02 1.71 1.55 -0.10 0.00 0.00 174.94 178.15 2hgi h PRO 101 N 8.28 0.09 0.00 2.79 0.13 -1.96 -3.47 132.00 137.86 2hgi h PRO 101 Ca -0.39 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2hgi h PRO 101 Cb 1.18 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2hgi h PRO 101 CO 0.92 0.06 0.00 0.54 -0.23 0.00 0.00 178.00 179.29 2hgi n ARG 102 N -5.17 0.00 -1.37 0.86 1.74 -1.26 -5.01 116.66 106.46 2hgi n ARG 102 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2hgi n ARG 102 Cb 0.16 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.60 2hgi n ARG 102 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2hgi n VAL 103 N -0.27 0.00 -3.64 1.55 0.24 -1.26 -2.95 118.33 112.00 2hgi n VAL 103 Ca 0.00 0.00 -0.22 0.00 -2.04 0.00 0.00 64.34 62.08 2hgi n VAL 103 Cb 0.00 -0.41 0.00 0.00 -1.47 0.00 0.00 33.84 31.96 2hgi n VAL 103 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2hgi n ARG 104 N 1.32 -1.26 -1.42 7.34 1.74 -1.26 -0.85 116.66 122.26 2hgi n ARG 104 Ca 0.00 0.59 -0.03 0.00 -0.77 0.00 0.00 57.85 57.64 2hgi n ARG 104 Cb 0.00 -1.88 -0.01 0.00 -1.02 0.00 0.00 32.46 29.55 2hgi n ARG 104 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2hgi n ARG 105 N -2.44 -1.11 0.00 5.56 3.00 -1.26 -0.97 116.66 119.44 2hgi n ARG 105 Ca -0.27 0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.59 2hgi n ARG 105 Cb 0.59 -0.66 0.00 0.00 0.00 0.00 0.00 32.46 32.39 2hgi n ARG 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2hgi n GLY 106 N -0.35 3.10 0.23 5.14 0.00 -0.03 -5.00 105.19 108.27 2hgi n GLY 106 Ca 0.01 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.61 2hgi n GLY 106 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 2hgi h LEU 107 N 0.00 0.00-10.12 0.99 -0.00 -1.03 -3.46 115.31 101.70 2hgi h LEU 107 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.88 57.47 2hgi h LEU 107 Cb 0.00 0.00 0.21 0.00 -0.00 0.00 0.00 40.66 40.87 2hgi h LEU 107 CO 0.00 0.23 -0.04 -0.83 -0.00 0.00 0.00 178.44 177.79 2hgi s GLY 108 N -4.24 1.48 -0.04 0.17 0.00 -0.50 -4.93 107.32 99.26 2hgi s GLY 108 Ca -0.03 -0.56 0.03 0.00 0.00 0.00 0.00 44.72 44.17 2hgi s GLY 108 CO 0.66 0.32 -0.13 -0.26 0.00 0.00 0.00 173.10 173.70 2hgi s ILE 109 N -2.43 1.09 -0.03 0.90 -4.36 0.07 -4.72 121.20 111.72 2hgi s ILE 109 Ca 0.69 -0.52 -0.00 0.00 -0.26 0.00 0.00 60.65 60.55 2hgi s ILE 109 Cb -0.18 -0.95 0.03 0.00 1.25 0.00 0.00 42.46 42.61 2hgi s ILE 109 CO 0.61 0.33 0.02 0.00 0.24 0.00 0.00 174.94 176.13 2hgi s ALA 110 N 0.15 0.25 0.04 2.27 0.00 -1.26 -1.12 121.76 122.09 2hgi s ALA 110 Ca -0.04 0.20 0.06 0.00 0.00 0.00 0.00 51.96 52.18 2hgi s ALA 110 Cb -0.10 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2hgi s ALA 110 CO 0.01 -0.17 -0.17 0.42 0.00 0.00 0.00 175.76 175.85 2hgi s ILE 111 N 1.26 1.36 0.08 0.00 1.09 -0.15 -1.29 121.20 123.55 2hgi s ILE 111 Ca -0.07 -1.06 -0.13 0.00 -1.10 0.00 0.00 60.65 58.29 2hgi s ILE 111 Cb -0.13 -1.20 0.02 0.00 -1.06 0.00 0.00 42.46 40.09 2hgi s ILE 111 CO -0.03 0.12 0.31 -1.48 -0.10 0.00 0.00 174.94 173.76 2hgi s LEU 112 N -1.10 0.84 -0.46 2.97 2.34 -0.17 -0.93 118.68 122.16 2hgi s LEU 112 Ca 0.04 -0.34 -0.18 0.00 0.06 0.00 0.00 54.13 53.72 2hgi s LEU 112 Cb -0.08 1.45 0.04 0.00 -0.56 0.00 0.00 46.19 47.04 2hgi s LEU 112 CO 0.01 -0.72 0.53 -0.55 -1.06 0.00 0.00 176.35 174.56 2hgi s SER 113 N -2.50 6.21 0.35 1.48 0.15 -1.25 -0.84 113.70 117.31 2hgi s SER 113 Ca 0.00 -0.82 0.04 0.00 0.70 0.00 0.00 55.95 55.87 2hgi s SER 113 Cb 0.02 -2.25 0.04 0.00 -1.71 0.00 0.00 66.02 62.11 2hgi s SER 113 CO -0.08 -0.73 0.29 0.35 1.20 0.00 0.00 173.24 174.27 2hgi n THR 114 N 5.52 0.00 0.32 6.45 -2.24 -0.26 -2.20 114.28 121.88 2hgi n THR 114 Ca -0.07 -1.37 0.01 0.00 -2.27 0.00 0.00 64.05 60.35 2hgi n THR 114 Cb 0.46 -0.26 0.04 0.00 -2.10 0.00 0.00 70.33 68.47 2hgi n THR 114 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2hgi n SER 115 N -1.98 0.00 -0.12 3.42 2.88 -1.13 -0.82 113.62 115.86 2hgi n SER 115 Ca 0.00 -0.28 0.01 0.00 -1.33 0.00 0.00 58.87 57.27 2hgi n SER 115 Cb 0.40 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.88 2hgi n SER 115 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2hgi n LYS 116 N -0.63 1.79 0.00 -1.46 4.76 -1.26 -5.11 118.16 116.26 2hgi n LYS 116 Ca 0.01 -1.30 0.00 0.00 -2.87 0.00 0.00 58.31 54.15 2hgi n LYS 116 Cb 0.00 -1.05 0.00 0.00 -1.84 0.00 0.00 35.03 32.14 2hgi n LYS 116 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2hgi n GLY 117 N -0.15 0.93 3.61 0.72 0.00 -0.00 -4.79 105.19 105.51 2hgi n GLY 117 Ca 0.02 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 2hgi n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hgi s VAL 118 N 0.00 4.90 0.19 1.61 1.01 -1.26 -1.10 120.40 125.75 2hgi s VAL 118 Ca 0.00 1.03 0.09 0.00 0.00 0.00 0.00 61.98 63.10 2hgi s VAL 118 Cb 0.00 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 2hgi s VAL 118 CO 0.00 -0.15 -0.19 -0.76 0.00 0.00 0.00 175.10 174.00 2hgi s LEU 119 N 2.71 2.47 0.06 3.92 2.01 -0.02 -4.98 118.68 124.85 2hgi s LEU 119 Ca 0.28 -0.90 0.04 0.00 0.01 0.00 0.00 54.13 53.55 2hgi s LEU 119 Cb -0.15 -0.90 -0.03 0.00 0.01 0.00 0.00 46.19 45.12 2hgi s LEU 119 CO 0.11 -0.01 -0.11 0.42 1.01 0.00 0.00 176.35 177.77 2hgi s THR 120 N -2.16 0.81 0.00 5.49 -4.23 -1.26 -1.00 115.64 113.29 2hgi s THR 120 Ca 0.19 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.46 2hgi s THR 120 Cb -0.05 -0.89 0.00 0.00 1.34 0.00 0.00 72.50 72.90 2hgi s THR 120 CO 0.08 -0.34 0.00 0.47 -0.54 0.00 0.00 174.62 174.29 2hgi n ASP 121 N 1.27 0.00 -0.06 3.99 9.92 -0.41 -0.81 116.55 130.45 2hgi n ASP 121 Ca -0.21 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.03 2hgi n ASP 121 Cb 0.55 0.00 -0.01 0.00 -0.64 0.00 0.00 41.12 41.01 2hgi n ASP 121 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22 2hgi n ARG 122 N 0.00 -0.06 -0.39 -1.24 -4.01 -1.26 -0.17 116.66 109.52 2hgi n ARG 122 Ca 0.00 0.45 -0.10 0.00 -1.04 0.00 0.00 57.85 57.16 2hgi n ARG 122 Cb 0.00 -0.67 -0.09 0.00 -3.04 0.00 0.00 32.46 28.65 2hgi n ARG 122 CO 0.00 0.00 0.00 -1.91 -3.04 0.00 0.00 177.63 172.68 2hgi n GLU 123 N -3.19 -0.41 -0.31 2.89 0.00 -1.15 0.37 120.64 118.84 2hgi n GLU 123 Ca 0.00 1.43 0.17 0.00 0.00 0.00 0.00 57.16 58.76 2hgi n GLU 123 Cb 0.04 -2.10 0.42 0.00 0.00 0.00 0.00 31.44 29.80 2hgi n GLU 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2hgi h ALA 124 N 0.45 1.97 0.12 4.31 0.00 0.15 -0.36 119.26 125.89 2hgi h ALA 124 Ca 0.15 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2hgi h ALA 124 Cb 0.38 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2hgi h ALA 124 CO -0.88 -0.33 -0.06 -0.09 0.00 0.00 0.00 179.25 177.90 2hgi h ARG 125 N 0.57 -0.16 -0.74 0.00 2.43 0.84 0.13 114.38 117.46 2hgi h ARG 125 Ca 0.55 0.01 0.20 0.00 -0.81 0.00 0.00 59.98 59.94 2hgi h ARG 125 Cb 1.14 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 2hgi h ARG 125 CO -0.31 -0.10 0.52 1.57 -1.51 0.00 0.00 179.97 180.14 2hgi h LYS 126 N -0.17 0.05 -0.03 0.20 5.09 -0.77 0.32 116.57 121.26 2hgi h LYS 126 Ca -0.02 -0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.71 2hgi h LYS 126 Cb 0.12 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 32.44 2hgi h LYS 126 CO 0.03 0.04 -0.03 1.25 -2.09 0.00 0.00 179.45 178.64 2hgi h LEU 127 N 0.06 0.08 -2.58 7.07 7.12 -1.03 -3.50 115.31 122.53 2hgi h LEU 127 Ca 0.35 -0.47 0.00 0.00 0.13 0.00 0.00 57.88 57.90 2hgi h LEU 127 Cb 1.33 -0.02 0.00 0.00 -0.53 0.00 0.00 40.66 41.44 2hgi h LEU 127 CO -0.02 0.53 0.00 0.61 -0.13 0.00 0.00 178.44 179.43 2hgi n GLY 128 N 0.17 -2.48 0.00 3.75 0.00 0.11 -5.09 105.19 101.65 2hgi n GLY 128 Ca -0.08 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2hgi n GLY 128 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2hgi n VAL 129 N 0.11 0.00 -3.54 1.61 3.14 -1.25 -5.03 118.33 113.37 2hgi n VAL 129 Ca 0.00 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.22 2hgi n VAL 129 Cb 0.00 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 32.72 2hgi n VAL 129 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2hgi s GLY 130 N -0.03 -0.52 0.33 7.55 0.00 -1.26 -3.04 107.32 110.35 2hgi s GLY 130 Ca 0.00 1.50 -0.09 0.00 0.00 0.00 0.00 44.72 46.13 2hgi s GLY 130 CO 0.00 1.04 0.57 -0.32 0.00 0.00 0.00 173.10 174.39 2hgi s GLY 131 N -1.04 0.93 -1.15 0.20 0.00 0.09 -2.85 107.32 103.51 2hgi s GLY 131 Ca -0.09 -1.13 -0.16 0.00 0.00 0.00 0.00 44.72 43.34 2hgi s GLY 131 CO 0.08 -0.70 1.42 1.85 0.00 0.00 0.00 173.10 175.75 2hgi s GLU 132 N -3.08 3.94 -0.68 2.90 2.12 -0.93 -0.95 118.70 122.01 2hgi s GLU 132 Ca 0.24 -2.22 -0.24 0.00 0.36 0.00 0.00 54.97 53.12 2hgi s GLU 132 Cb -0.02 -5.13 -0.16 0.00 0.26 0.00 0.00 34.13 29.08 2hgi s GLU 132 CO 0.15 -1.88 1.92 1.28 -0.54 0.00 0.00 175.26 176.19 2hgi n LEU 133 N 6.50 0.25 0.00 2.70 4.77 -0.18 -4.11 117.00 126.93 2hgi n LEU 133 Ca 0.36 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 2hgi n LEU 133 Cb 0.45 -0.67 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2hgi n LEU 133 CO 0.62 -0.53 0.33 -0.38 -1.33 0.00 0.00 177.39 176.11 2hgi n ILE 134 N 5.37 0.00 -3.91 -0.08 5.41 -0.11 -2.15 119.36 123.90 2hgi n ILE 134 Ca 0.47 1.17 0.03 0.00 1.00 0.00 0.00 62.75 65.42 2hgi n ILE 134 Cb 0.02 -1.96 0.01 0.00 -0.71 0.00 0.00 39.64 36.99 2hgi n ILE 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hgi s GLU 136 N -2.07 1.86 0.21 0.00 1.03 -0.52 -0.98 118.70 118.23 2hgi s GLU 136 Ca 0.27 -1.81 -0.22 0.00 0.03 0.00 0.00 54.97 53.24 2hgi s GLU 136 Cb 0.01 0.41 0.05 0.00 -0.80 0.00 0.00 34.13 33.80 2hgi s GLU 136 CO -0.02 -0.75 0.65 0.08 -1.33 0.00 0.00 175.26 173.88 2hgi s VAL 137 N -3.17 0.00 0.00 1.83 1.01 -0.27 -1.09 120.40 118.71 2hgi s VAL 137 Ca 0.33 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2hgi s VAL 137 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.95 2hgi s VAL 137 CO 0.22 -0.01 0.00 -2.67 0.00 0.00 0.00 175.10 172.64