#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgi n ARG 3 N 0.00 3.60 -2.92 0.00 0.63 -1.26 -1.75 116.66 114.95 2hgi n ARG 3 Ca 0.00 -3.61 -0.43 0.00 -0.92 0.00 0.00 57.85 52.89 2hgi n ARG 3 Cb 0.00 -2.94 -0.05 0.00 0.45 0.00 0.00 32.46 29.93 2hgi n ARG 3 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2hgi s ILE 4 N 0.52 4.52 0.00 5.15 1.09 -1.20 -4.36 121.20 126.92 2hgi s ILE 4 Ca 0.40 0.11 0.00 0.00 -1.10 0.00 0.00 60.65 60.06 2hgi s ILE 4 Cb 0.07 -4.47 0.00 0.00 -1.06 0.00 0.00 42.46 37.00 2hgi s ILE 4 CO 0.01 -1.01 0.00 0.00 -0.10 0.00 0.00 174.94 173.83 2hgi n ALA 5 N 7.11 0.00 -3.30 9.38 0.00 -1.26 -3.62 120.51 128.82 2hgi n ALA 5 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 2hgi n ALA 5 Cb 0.47 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 2hgi n ALA 5 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2hgi s GLY 6 N 0.00 -0.47 -1.26 0.00 0.00 -1.26 -4.93 107.32 99.40 2hgi s GLY 6 Ca 0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 44.72 44.04 2hgi s GLY 6 CO 0.00 3.08 0.27 3.33 0.00 0.00 0.00 173.10 179.78 2hgi n VAL 7 N 4.26 -0.26 -2.18 1.40 0.24 -1.26 -4.77 118.33 115.76 2hgi n VAL 7 Ca 0.12 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.34 61.88 2hgi n VAL 7 Cb 0.49 -0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 2hgi n VAL 7 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2hgi n GLU 8 N -3.23 2.76 -1.17 7.34 -0.58 -1.22 -4.77 120.64 119.76 2hgi n GLU 8 Ca -0.03 -2.88 -0.21 0.00 -0.42 0.00 0.00 57.16 53.61 2hgi n GLU 8 Cb 0.39 -3.43 0.18 0.00 -0.57 0.00 0.00 31.44 28.00 2hgi n GLU 8 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 2hgi n ILE 9 N 6.21 3.12 -1.52 -3.67 -0.00 -0.72 -3.27 119.36 119.52 2hgi n ILE 9 Ca 0.49 -2.14 -0.26 0.00 -0.00 0.00 0.00 62.75 60.83 2hgi n ILE 9 Cb 0.44 -0.49 -0.16 0.00 -0.00 0.00 0.00 39.64 39.43 2hgi n ILE 9 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 2hgi n PRO 10 N -1.13 0.23 0.00 0.38 -0.04 -1.26 -4.63 135.00 128.54 2hgi n PRO 10 Ca 0.56 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2hgi n PRO 10 Cb 1.50 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 2hgi n PRO 10 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2hgi n ARG 11 N 7.30 0.97 0.00 0.54 3.00 -1.26 -4.14 116.66 123.06 2hgi n ARG 11 Ca 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.45 2hgi n ARG 11 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.68 2hgi n ARG 11 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 2hgi n ASN 12 N 0.00 0.00 -4.42 6.15 2.85 -1.26 -3.70 115.26 114.88 2hgi n ASN 12 Ca 0.00 0.02 -0.44 0.00 -0.11 0.00 0.00 54.58 54.05 2hgi n ASN 12 Cb 0.00 -0.02 -0.09 0.00 1.24 0.00 0.00 39.78 40.91 2hgi n ASN 12 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2hgi s LYS 13 N -1.39 2.97 0.05 1.20 1.02 -1.26 -4.67 119.74 117.66 2hgi s LYS 13 Ca 0.00 -1.19 0.00 0.00 0.02 0.00 0.00 55.97 54.80 2hgi s LYS 13 Cb 0.00 -4.05 0.00 0.00 -0.52 0.00 0.00 37.83 33.26 2hgi s LYS 13 CO 0.00 -0.89 0.00 2.89 -0.92 0.00 0.00 175.35 176.43 2hgi n ARG 14 N 5.18 1.29 0.00 1.68 1.85 -1.26 -2.89 116.66 122.51 2hgi n ARG 14 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.73 2hgi n ARG 14 Cb 0.45 -0.10 0.00 0.00 -1.05 0.00 0.00 32.46 31.76 2hgi n ARG 14 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2hgi n VAL 15 N -1.40 0.00 -0.20 8.89 0.31 -0.29 -0.67 118.33 124.96 2hgi n VAL 15 Ca 0.00 1.42 0.01 0.00 -0.01 0.00 0.00 64.34 65.76 2hgi n VAL 15 Cb 0.00 -2.16 0.10 0.00 -0.91 0.00 0.00 33.84 30.87 2hgi n VAL 15 CO 0.00 0.00 0.00 -2.24 -1.32 0.00 0.00 176.83 173.27 2hgi h ASP 16 N 0.00 -0.24 -0.63 4.52 2.03 -1.88 0.18 116.42 120.39 2hgi h ASP 16 Ca 0.00 0.15 0.05 0.00 -0.73 0.00 0.00 57.03 56.50 2hgi h ASP 16 Cb 0.00 0.26 -0.05 0.00 -0.83 0.00 0.00 39.33 38.71 2hgi h ASP 16 CO 0.00 -0.10 0.35 0.58 -1.03 0.00 0.00 179.24 179.04 2hgi h VAL 17 N 0.13 0.98 0.00 4.15 2.07 -1.77 -0.83 116.25 120.99 2hgi h VAL 17 Ca 0.32 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.62 2hgi h VAL 17 Cb 0.52 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 2hgi h VAL 17 CO -0.52 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.19 2hgi n ALA 18 N -2.34 -0.33 -0.34 1.67 0.00 0.15 -4.06 120.51 115.27 2hgi n ALA 18 Ca 0.07 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.49 2hgi n ALA 18 Cb 0.15 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.61 2hgi n ALA 18 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 2hgi n LEU 19 N -1.53 -0.63 0.22 0.00 -0.00 -0.04 -1.18 117.00 113.84 2hgi n LEU 19 Ca 0.00 1.51 0.08 0.00 -0.00 0.00 0.00 56.01 57.60 2hgi n LEU 19 Cb 0.00 -0.31 0.45 0.00 -0.00 0.00 0.00 43.42 43.55 2hgi n LEU 19 CO 0.00 -1.33 0.90 0.74 -0.00 0.00 0.00 177.39 177.70 2hgi h THR 20 N 0.00 0.00 0.00 1.47 2.02 -1.29 0.63 112.91 115.74 2hgi h THR 20 Ca 0.27 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.45 2hgi h THR 20 Cb 0.48 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 2hgi h THR 20 CO -0.85 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 173.82 2hgi n TYR 21 N -2.29 0.00 -2.90 3.16 0.53 -0.32 -4.19 117.16 111.14 2hgi n TYR 21 Ca -0.01 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.46 2hgi n TYR 21 Cb 0.40 -0.47 -0.04 0.00 -1.03 0.00 0.00 39.34 38.19 2hgi n TYR 21 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 2hgi s ILE 22 N -2.94 4.81 -0.24 -0.72 1.01 0.21 -4.93 121.20 118.40 2hgi s ILE 22 Ca 0.14 1.74 -0.36 0.00 0.00 0.00 0.00 60.65 62.17 2hgi s ILE 22 Cb 0.17 -4.17 -0.13 0.00 0.01 0.00 0.00 42.46 38.34 2hgi s ILE 22 CO 0.47 0.28 1.95 0.00 0.00 0.00 0.00 174.94 177.63 2hgi n TYR 23 N 3.30 1.99 0.00 3.97 9.36 -1.26 0.88 117.16 135.41 2hgi n TYR 23 Ca 0.00 0.27 0.00 0.00 3.32 0.00 0.00 57.90 61.49 2hgi n TYR 23 Cb 0.51 -2.55 0.00 0.00 -0.63 0.00 0.00 39.34 36.66 2hgi n TYR 23 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2hgi n GLY 24 N 5.08 1.44 2.80 2.98 0.00 -1.26 0.31 105.19 116.55 2hgi n GLY 24 Ca 0.30 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.18 2hgi n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hgi s ILE 25 N -2.00 -0.05 0.00 -0.61 1.01 0.26 -4.86 121.20 114.95 2hgi s ILE 25 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.82 2hgi s ILE 25 Cb 0.00 -0.08 0.00 0.00 0.01 0.00 0.00 42.46 42.39 2hgi s ILE 25 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2hgi n GLY 26 N 3.94 1.52 3.33 6.18 0.00 -1.26 -4.32 105.19 114.58 2hgi n GLY 26 Ca -0.24 -0.82 -0.32 0.00 0.00 0.00 0.00 46.02 44.64 2hgi n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgi n LYS 27 N 0.00 -1.45 0.00 1.61 4.76 -1.26 -0.63 118.16 121.19 2hgi n LYS 27 Ca 0.00 -0.40 0.00 0.00 -2.87 0.00 0.00 58.31 55.04 2hgi n LYS 27 Cb 0.00 -1.78 0.00 0.00 -1.84 0.00 0.00 35.03 31.41 2hgi n LYS 27 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hgi n ALA 28 N -4.34 0.00 0.00 7.82 0.00 -1.26 -4.26 120.51 118.48 2hgi n ALA 28 Ca 0.02 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.39 2hgi n ALA 28 Cb 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 2hgi n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgi h ARG 29 N 0.00 -0.12 -0.22 0.00 2.47 -1.23 -0.53 114.38 114.74 2hgi h ARG 29 Ca 0.00 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.75 2hgi h ARG 29 Cb 0.00 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 2hgi h ARG 29 CO 0.00 0.25 0.07 0.00 0.56 0.00 0.00 179.97 180.85 2hgi h ALA 30 N -0.58 0.25 0.27 0.04 0.00 -1.09 -0.32 119.26 117.82 2hgi h ALA 30 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2hgi h ALA 30 Cb 0.43 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2hgi h ALA 30 CO 0.02 -0.35 -0.18 0.87 0.00 0.00 0.00 179.25 179.61 2hgi h LYS 31 N 0.17 -0.41 -0.54 0.00 6.56 -1.82 -0.83 116.57 119.70 2hgi h LYS 31 Ca 0.10 0.03 0.11 0.00 -1.06 0.00 0.00 60.65 59.83 2hgi h LYS 31 Cb 0.07 0.09 -0.10 0.00 -0.57 0.00 0.00 32.23 31.73 2hgi h LYS 31 CO -0.11 -0.28 -0.06 0.93 -2.06 0.00 0.00 179.45 177.87 2hgi h GLU 32 N -0.43 0.06 -0.05 3.15 4.39 -1.10 -1.08 114.58 119.52 2hgi h GLU 32 Ca -0.04 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 2hgi h GLU 32 Cb 0.35 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2hgi h GLU 32 CO 0.03 0.04 -0.00 0.00 -1.16 0.00 0.00 179.01 177.91 2hgi h ALA 33 N 1.51 0.07 -0.54 3.43 0.00 -1.08 -0.64 119.26 122.00 2hgi h ALA 33 Ca 0.27 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2hgi h ALA 33 Cb 0.42 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 2hgi h ALA 33 CO -0.50 -0.25 0.21 -0.07 0.00 0.00 0.00 179.25 178.64 2hgi h LEU 34 N -0.22 0.23 0.00 0.00 3.38 -1.02 -0.27 115.31 117.41 2hgi h LEU 34 Ca 0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2hgi h LEU 34 Cb 0.35 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2hgi h LEU 34 CO 0.00 0.16 0.00 1.21 0.09 0.00 0.00 178.44 179.90 2hgi n GLU 35 N -4.98 0.00 0.29 1.13 4.07 -0.42 -1.02 120.64 119.71 2hgi n GLU 35 Ca 0.06 0.76 0.18 0.00 -0.06 0.00 0.00 57.16 58.10 2hgi n GLU 35 Cb 0.22 -1.49 0.80 0.00 -0.06 0.00 0.00 31.44 30.91 2hgi n GLU 35 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2hgi h LYS 36 N 0.00 0.00 0.09 5.31 3.64 -0.95 -3.10 116.57 121.56 2hgi h LYS 36 Ca 0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 2hgi h LYS 36 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2hgi h LYS 36 CO 0.00 0.01 -1.88 0.00 -2.27 0.00 0.00 179.45 175.31 2hgi h THR 37 N 0.00 0.72 -0.07 1.00 1.03 -1.03 -3.50 112.91 111.06 2hgi h THR 37 Ca -0.00 -2.48 0.00 0.00 -0.01 0.00 0.00 66.41 63.92 2hgi h THR 37 Cb 0.40 2.50 0.00 0.00 -1.07 0.00 0.00 68.15 69.98 2hgi h THR 37 CO 0.00 0.77 0.00 0.61 -0.01 0.00 0.00 175.52 176.90 2hgi n GLY 38 N 1.85 0.36 3.49 2.99 0.00 -0.19 -4.80 105.19 108.89 2hgi n GLY 38 Ca -0.26 -0.67 0.01 0.00 0.00 0.00 0.00 46.02 45.10 2hgi n GLY 38 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hgi s ILE 39 N -0.02 -0.89 -0.15 -0.61 -4.36 -1.14 -5.03 121.20 109.00 2hgi s ILE 39 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 60.65 60.06 2hgi s ILE 39 Cb 0.00 -1.00 -0.10 0.00 1.25 0.00 0.00 42.46 42.61 2hgi s ILE 39 CO 0.00 0.00 2.00 -3.20 0.24 0.00 0.00 174.94 173.98 2hgi n ASN 40 N 5.37 3.25 -0.43 4.36 2.85 -1.26 -4.72 115.26 124.69 2hgi n ASN 40 Ca -0.09 0.74 0.00 0.00 -0.11 0.00 0.00 54.58 55.11 2hgi n ASN 40 Cb 0.50 -1.40 0.00 0.00 1.24 0.00 0.00 39.78 40.13 2hgi n ASN 40 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2hgi n PRO 41 N 7.37 0.00 -0.11 1.20 -0.02 -1.26 -2.38 135.00 139.79 2hgi n PRO 41 Ca 0.27 0.00 -0.19 0.00 -2.02 0.00 0.00 63.50 61.56 2hgi n PRO 41 Cb 0.32 -0.80 -0.10 0.00 -0.02 0.00 0.00 33.50 32.91 2hgi n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hgi n ALA 42 N 0.18 1.50 -1.28 3.55 0.00 -1.26 -4.78 120.51 118.42 2hgi n ALA 42 Ca 0.00 -0.95 -0.58 0.00 0.00 0.00 0.00 53.44 51.91 2hgi n ALA 42 Cb 0.00 0.07 -0.11 0.00 0.00 0.00 0.00 19.45 19.41 2hgi n ALA 42 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hgi n THR 43 N -3.50 0.00 -2.49 0.00 -2.24 -1.00 -4.71 114.28 100.34 2hgi n THR 43 Ca -0.42 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 2hgi n THR 43 Cb 0.88 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 68.61 2hgi n THR 43 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2hgi s ARG 44 N 5.00 4.55 0.15 -0.78 6.06 -1.26 -1.14 118.95 131.53 2hgi s ARG 44 Ca 1.10 1.74 -0.19 0.00 -2.50 0.00 0.00 55.73 55.87 2hgi s ARG 44 Cb -1.41 -3.29 0.06 0.00 0.06 0.00 0.00 34.95 30.38 2hgi s ARG 44 CO 0.65 0.00 1.22 0.28 -2.50 0.00 0.00 175.30 174.95 2hgi n VAL 45 N 2.64 -0.48 0.12 7.11 0.31 -1.23 -0.59 118.33 126.21 2hgi n VAL 45 Ca 0.04 1.88 0.02 0.00 -0.01 0.00 0.00 64.34 66.27 2hgi n VAL 45 Cb 0.46 -2.40 0.10 0.00 -0.91 0.00 0.00 33.84 31.09 2hgi n VAL 45 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2hgi n LYS 46 N -5.07 0.03 -0.14 5.55 2.85 -1.25 -0.90 118.16 119.23 2hgi n LYS 46 Ca 0.05 0.39 0.06 0.00 -1.05 0.00 0.00 58.31 57.76 2hgi n LYS 46 Cb 0.26 -2.11 0.13 0.00 -0.65 0.00 0.00 35.03 32.66 2hgi n LYS 46 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2hgi n ASP 47 N -1.65 2.73 -4.67 -5.58 8.00 0.24 -5.02 116.55 110.61 2hgi n ASP 47 Ca -0.00 -1.86 -0.40 0.00 0.71 0.00 0.00 54.79 53.24 2hgi n ASP 47 Cb 0.52 -0.18 -0.05 0.00 -0.02 0.00 0.00 41.12 41.39 2hgi n ASP 47 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2hgi s LEU 48 N -1.01 4.17 0.14 0.64 0.20 -0.08 -4.98 118.68 117.77 2hgi s LEU 48 Ca 0.22 0.91 -0.30 0.00 0.69 0.00 0.00 54.13 55.65 2hgi s LEU 48 Cb 0.12 -2.95 -0.08 0.00 -0.43 0.00 0.00 46.19 42.86 2hgi s LEU 48 CO 0.17 -0.27 1.26 -0.89 -0.29 0.00 0.00 176.35 176.33 2hgi s THR 49 N 1.82 3.55 0.45 3.68 2.01 -1.26 -4.82 115.64 121.06 2hgi s THR 49 Ca 0.31 1.21 0.30 0.00 0.31 0.00 0.00 61.69 63.82 2hgi s THR 49 Cb -0.16 -3.77 0.49 0.00 0.01 0.00 0.00 72.50 69.07 2hgi s THR 49 CO 0.11 0.15 1.65 -0.33 -0.69 0.00 0.00 174.62 175.51 2hgi h GLU 50 N 5.96 0.11 -0.16 4.92 3.07 -1.98 0.19 114.58 126.70 2hgi h GLU 50 Ca -0.43 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.40 2hgi h GLU 50 Cb 1.21 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 2hgi h GLU 50 CO 0.79 0.08 0.02 0.00 -1.40 0.00 0.00 179.01 178.49 2hgi h ALA 51 N 1.55 0.21 -0.68 3.43 0.00 -1.99 0.13 119.26 121.91 2hgi h ALA 51 Ca 0.78 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.52 2hgi h ALA 51 Cb 2.49 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 20.19 2hgi h ALA 51 CO -0.36 -0.11 0.42 0.93 0.00 0.00 0.00 179.25 180.13 2hgi h GLU 52 N 0.04 0.92 0.10 0.00 5.08 -1.08 -0.76 114.58 118.88 2hgi h GLU 52 Ca 0.05 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2hgi h GLU 52 Cb 0.33 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2hgi h GLU 52 CO 0.00 0.65 -0.46 0.28 -1.00 0.00 0.00 179.01 178.48 2hgi h VAL 53 N 0.93 0.00 -0.33 3.13 2.07 -0.85 -0.95 116.25 120.25 2hgi h VAL 53 Ca 0.25 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.80 2hgi h VAL 53 Cb -0.04 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.69 2hgi h VAL 53 CO -0.05 0.00 -0.20 0.52 0.02 0.00 0.00 177.57 177.87 2hgi n VAL 54 N -5.08 -0.23 -0.06 2.57 0.31 0.01 -0.63 118.33 115.23 2hgi n VAL 54 Ca -0.07 1.30 -0.14 0.00 -0.01 0.00 0.00 64.34 65.42 2hgi n VAL 54 Cb 0.36 -1.66 -0.09 0.00 -0.91 0.00 0.00 33.84 31.53 2hgi n VAL 54 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2hgi h ARG 55 N 0.00 -0.49 -0.36 5.55 3.08 -0.67 -1.20 114.38 120.29 2hgi h ARG 55 Ca 0.05 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.18 2hgi h ARG 55 Cb 0.14 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.26 2hgi h ARG 55 CO -0.31 -0.32 0.13 -0.07 -1.07 0.00 0.00 179.97 178.33 2hgi h LEU 56 N -0.51 0.15 0.06 3.04 3.38 0.20 -0.37 115.31 121.26 2hgi h LEU 56 Ca 0.05 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2hgi h LEU 56 Cb 0.65 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2hgi h LEU 56 CO -0.50 0.12 -0.38 -0.09 0.09 0.00 0.00 178.44 177.68 2hgi h ARG 57 N 0.29 -0.55 -0.52 1.13 2.43 -0.50 -0.90 114.38 115.75 2hgi h ARG 57 Ca 0.16 0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 2hgi h ARG 57 Cb 0.13 0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2hgi h ARG 57 CO -0.16 -0.37 0.03 0.93 -1.51 0.00 0.00 179.97 178.89 2hgi h GLU 58 N -0.58 0.89 0.00 0.20 5.08 -1.18 0.54 114.58 119.54 2hgi h GLU 58 Ca 0.04 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 2hgi h GLU 58 Cb 0.63 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2hgi h GLU 58 CO -0.26 0.90 0.00 0.98 -1.00 0.00 0.00 179.01 179.63 2hgi n TYR 59 N -4.33 0.00 0.16 4.33 9.36 -0.16 -1.07 117.16 125.45 2hgi n TYR 59 Ca 0.01 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.25 2hgi n TYR 59 Cb 0.30 0.00 0.34 0.00 -0.63 0.00 0.00 39.34 39.35 2hgi n TYR 59 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2hgi h VAL 60 N 0.00 1.26 -0.29 2.97 2.07 -1.29 -1.69 116.25 119.29 2hgi h VAL 60 Ca 0.00 -1.26 0.03 0.00 0.82 0.00 0.00 66.70 66.29 2hgi h VAL 60 Cb 0.00 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2hgi h VAL 60 CO 0.00 0.37 -0.17 1.21 0.02 0.00 0.00 177.57 179.00 2hgi n GLU 61 N -4.11 -0.13 -0.07 1.57 0.00 0.18 0.11 120.64 118.20 2hgi n GLU 61 Ca -0.02 0.46 0.05 0.00 0.00 0.00 0.00 57.16 57.65 2hgi n GLU 61 Cb 0.40 -0.68 0.08 0.00 0.00 0.00 0.00 31.44 31.24 2hgi n GLU 61 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2hgi n ASN 62 N -4.20 2.23 -0.15 4.31 5.15 -0.61 -4.44 115.26 117.55 2hgi n ASN 62 Ca 0.01 -1.66 -0.09 0.00 -0.60 0.00 0.00 54.58 52.23 2hgi n ASN 62 Cb 0.07 -0.09 -0.00 0.00 -0.53 0.00 0.00 39.78 39.23 2hgi n ASN 62 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2hgi h THR 63 N 1.77 1.21 -3.11 -0.44 1.03 0.17 -3.44 112.91 110.10 2hgi h THR 63 Ca 0.00 -0.64 0.00 0.00 -0.01 0.00 0.00 66.41 65.76 2hgi h THR 63 Cb 0.53 0.82 0.00 0.00 -1.07 0.00 0.00 68.15 68.43 2hgi h THR 63 CO 0.00 0.23 0.00 0.79 -0.01 0.00 0.00 175.52 176.53 2hgi n TRP 64 N -4.61 -0.32 -2.67 0.00 8.01 -0.05 -5.03 117.44 112.77 2hgi n TRP 64 Ca 0.00 0.00 -0.03 0.00 -1.31 0.00 0.00 57.50 56.16 2hgi n TRP 64 Cb 0.16 0.00 0.03 0.00 -2.01 0.00 0.00 31.31 29.49 2hgi n TRP 64 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.69 176.83 2hgi s LYS 65 N 2.38 0.15 0.00 -0.99 1.02 -1.26 -4.93 119.74 116.11 2hgi s LYS 65 Ca 0.00 -0.14 0.00 0.00 0.02 0.00 0.00 55.97 55.85 2hgi s LYS 65 Cb 0.00 -0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.30 2hgi s LYS 65 CO 0.00 -0.18 0.00 1.47 -0.92 0.00 0.00 175.35 175.72 2hgi n LEU 66 N 2.60 0.00 0.00 3.17 -0.00 -1.26 -4.78 117.00 116.73 2hgi n LEU 66 Ca 0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 2hgi n LEU 66 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.07 2hgi n LEU 66 CO -0.12 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.48 2hgi n GLU 67 N 0.00 0.00 -0.26 1.47 4.07 0.92 -0.78 120.64 126.06 2hgi n GLU 67 Ca 0.00 0.00 0.08 0.00 -0.06 0.00 0.00 57.16 57.18 2hgi n GLU 67 Cb 0.00 0.00 0.21 0.00 -0.06 0.00 0.00 31.44 31.59 2hgi n GLU 67 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2hgi h GLY 68 N 0.00 1.09 1.19 8.31 0.00 -1.99 0.96 103.07 112.63 2hgi h GLY 68 Ca 0.00 -0.02 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 2hgi h GLY 68 CO 0.00 -0.26 -0.22 -2.09 0.00 0.00 0.00 176.54 173.98 2hgi h GLU 69 N 0.23 0.93 -0.67 4.80 4.81 -1.99 -0.23 114.58 122.47 2hgi h GLU 69 Ca 0.45 -0.39 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 2hgi h GLU 69 Cb 0.82 -0.04 -0.11 0.00 0.63 0.00 0.00 28.75 30.06 2hgi h GLU 69 CO -0.57 1.05 -0.50 1.25 -0.73 0.00 0.00 179.01 179.51 2hgi h LEU 70 N 0.81 -1.74 0.07 1.64 6.46 0.13 0.12 115.31 122.80 2hgi h LEU 70 Ca 0.11 0.27 0.01 0.00 -0.12 0.00 0.00 57.88 58.15 2hgi h LEU 70 Cb 0.78 0.77 -0.03 0.00 -0.73 0.00 0.00 40.66 41.45 2hgi h LEU 70 CO 0.06 -0.33 -0.33 0.03 -0.62 0.00 0.00 178.44 177.26 2hgi h ARG 71 N -0.20 -0.45 -0.61 1.25 3.08 -0.80 -0.15 114.38 116.51 2hgi h ARG 71 Ca 0.16 0.03 0.16 0.00 0.07 0.00 0.00 59.98 60.40 2hgi h ARG 71 Cb 0.54 0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.58 2hgi h ARG 71 CO -0.75 -0.30 -0.01 0.00 -1.07 0.00 0.00 179.97 177.84 2hgi n ALA 72 N -2.75 0.28 0.19 0.04 0.00 0.13 0.12 120.51 118.52 2hgi n ALA 72 Ca -0.05 0.65 -0.07 0.00 0.00 0.00 0.00 53.44 53.97 2hgi n ALA 72 Cb 0.25 -0.46 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 2hgi n ALA 72 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2hgi h GLU 73 N 0.00 -0.47 -0.88 0.00 4.22 0.40 -0.52 114.58 117.34 2hgi h GLU 73 Ca 0.36 0.03 0.30 0.00 0.08 0.00 0.00 59.36 60.13 2hgi h GLU 73 Cb 0.71 0.11 -0.16 0.00 0.50 0.00 0.00 28.75 29.91 2hgi h GLU 73 CO -0.58 -0.31 0.22 0.28 -2.18 0.00 0.00 179.01 176.44 2hgi n VAL 74 N -3.71 -0.37 0.00 0.32 0.31 0.12 0.12 118.33 115.11 2hgi n VAL 74 Ca -0.06 1.87 0.00 0.00 -0.01 0.00 0.00 64.34 66.14 2hgi n VAL 74 Cb 0.19 -2.86 0.00 0.00 -0.91 0.00 0.00 33.84 30.26 2hgi n VAL 74 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hgi n ALA 75 N -2.83 -0.38 -0.23 3.52 0.00 -0.13 -1.09 120.51 119.37 2hgi n ALA 75 Ca 0.26 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.83 2hgi n ALA 75 Cb 0.88 0.02 0.25 0.00 0.00 0.00 0.00 19.45 20.60 2hgi n ALA 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgi n ALA 76 N -1.75 0.43 -0.08 0.00 0.00 0.32 0.13 120.51 119.56 2hgi n ALA 76 Ca 0.00 0.72 -0.12 0.00 0.00 0.00 0.00 53.44 54.04 2hgi n ALA 76 Cb 0.00 -0.57 -0.05 0.00 0.00 0.00 0.00 19.45 18.84 2hgi n ALA 76 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.50 174.55 2hgi h ASN 77 N 0.00 0.50 -0.78 0.00 -1.07 -0.86 -0.19 115.58 113.18 2hgi h ASN 77 Ca 0.45 -0.38 0.04 0.00 0.07 0.00 0.00 56.30 56.48 2hgi h ASN 77 Cb 1.01 -0.14 -0.04 0.00 -2.07 0.00 0.00 38.32 37.08 2hgi h ASN 77 CO -0.61 0.77 0.52 0.40 0.07 0.00 0.00 177.43 178.58 2hgi h ILE 78 N 0.23 1.11 0.61 6.14 2.04 0.27 -0.69 117.51 127.21 2hgi h ILE 78 Ca 0.06 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 2hgi h ILE 78 Cb 0.56 0.08 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2hgi h ILE 78 CO 0.03 0.17 -0.29 0.50 0.00 0.00 0.00 178.15 178.56 2hgi h LYS 79 N 0.95 -0.79 -0.10 2.37 3.11 -0.43 0.28 116.57 121.96 2hgi h LYS 79 Ca 0.31 0.05 0.04 0.00 -2.81 0.00 0.00 60.65 58.24 2hgi h LYS 79 Cb 0.07 0.18 -0.04 0.00 -1.00 0.00 0.00 32.23 31.44 2hgi h LYS 79 CO -0.09 -0.52 -0.14 0.07 -2.81 0.00 0.00 179.45 175.96 2hgi h ARG 80 N -0.83 -0.18 -0.38 1.90 0.11 -0.64 0.58 114.38 114.94 2hgi h ARG 80 Ca -0.08 0.01 -0.02 0.00 0.10 0.00 0.00 59.98 59.99 2hgi h ARG 80 Cb 0.63 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.73 2hgi h ARG 80 CO 0.14 -0.12 0.17 1.37 0.10 0.00 0.00 179.97 181.62 2hgi h LEU 81 N -0.19 0.52 -0.72 0.08 -0.00 -1.06 0.06 115.31 114.01 2hgi h LEU 81 Ca 0.08 -0.15 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 2hgi h LEU 81 Cb 0.30 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 2hgi h LEU 81 CO -0.21 0.53 0.00 -0.03 -0.00 0.00 0.00 178.44 178.73 2hgi h MET 82 N 0.48 0.00 0.02 0.17 4.05 -0.84 -3.22 114.93 115.59 2hgi h MET 82 Ca 0.13 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.35 2hgi h MET 82 Cb 0.16 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 2hgi h MET 82 CO -0.01 0.00 -1.10 0.22 0.23 0.00 0.00 176.91 176.25 2hgi h ASP 83 N 0.00 0.07 0.00 1.39 3.58 -0.70 -3.44 116.42 117.32 2hgi h ASP 83 Ca 0.00 -0.66 0.00 0.00 0.42 0.00 0.00 57.03 56.79 2hgi h ASP 83 Cb 0.61 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2hgi h ASP 83 CO 0.00 1.44 0.00 2.30 -2.88 0.00 0.00 179.24 180.10 2hgi n ILE 84 N -4.35 0.00 -1.29 2.25 -5.35 -0.01 -4.99 119.36 105.63 2hgi n ILE 84 Ca -0.27 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2hgi n ILE 84 Cb 0.69 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 2hgi n ILE 84 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2hgi n GLY 85 N 0.00 1.00 3.53 3.28 0.00 -1.25 -5.06 105.19 106.69 2hgi n GLY 85 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2hgi n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgi h TYR 87 N 1.04 -0.61 -1.00 0.00 -0.00 -2.00 -0.66 116.97 113.75 2hgi h TYR 87 Ca -0.43 0.01 0.09 0.00 -0.00 0.00 0.00 58.73 58.39 2hgi h TYR 87 Cb 1.37 0.24 -0.07 0.00 -0.00 0.00 0.00 36.73 38.27 2hgi h TYR 87 CO 0.39 -0.28 0.64 -0.09 -0.00 0.00 0.00 178.16 178.82 2hgi h ARG 88 N -0.41 1.06 0.05 1.82 1.12 -1.92 -0.49 114.38 115.61 2hgi h ARG 88 Ca -0.02 -0.06 0.01 0.00 -1.11 0.00 0.00 59.98 58.80 2hgi h ARG 88 Cb 0.36 -0.24 -0.04 0.00 -0.01 0.00 0.00 29.97 30.04 2hgi h ARG 88 CO -0.04 0.70 -0.43 0.78 -3.11 0.00 0.00 179.97 177.87 2hgi h GLY 89 N 1.09 -1.18 0.18 2.80 0.00 -1.70 -0.35 103.07 103.90 2hgi h GLY 89 Ca 0.46 0.64 0.06 0.00 0.00 0.00 0.00 47.33 48.48 2hgi h GLY 89 CO -0.21 -0.30 -0.26 1.41 0.00 0.00 0.00 176.54 177.18 2hgi h LEU 90 N -0.57 -0.81 -0.53 3.11 3.38 -0.65 0.13 115.31 119.36 2hgi h LEU 90 Ca 0.00 0.14 0.05 0.00 0.09 0.00 0.00 57.88 58.16 2hgi h LEU 90 Cb 0.59 0.37 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 2hgi h LEU 90 CO -0.26 -0.30 -0.32 0.54 0.09 0.00 0.00 178.44 178.20 2hgi n ARG 91 N -5.38 -0.24 0.19 1.13 5.12 -0.23 0.53 116.66 117.78 2hgi n ARG 91 Ca -0.02 0.85 0.03 0.00 -1.93 0.00 0.00 57.85 56.78 2hgi n ARG 91 Cb 0.30 -1.25 0.37 0.00 -1.16 0.00 0.00 32.46 30.72 2hgi n ARG 91 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2hgi h HIS 92 N 0.00 0.00 -0.86 -1.55 3.86 0.26 -0.99 115.15 115.87 2hgi h HIS 92 Ca 0.09 0.00 0.22 0.00 -1.16 0.00 0.00 60.37 59.52 2hgi h HIS 92 Cb 0.22 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 28.54 2hgi h HIS 92 CO -0.59 0.37 0.12 -0.09 0.86 0.00 0.00 177.93 178.61 2hgi h ARG 93 N 0.00 0.13 0.00 2.45 2.43 1.59 -1.30 114.38 119.68 2hgi h ARG 93 Ca -0.00 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.06 2hgi h ARG 93 Cb 0.69 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2hgi h ARG 93 CO 0.05 0.09 -1.81 0.54 -1.51 0.00 0.00 179.97 177.33 2hgi n ARG 94 N -5.31 0.65 -0.09 0.20 5.12 -0.23 -5.02 116.66 111.99 2hgi n ARG 94 Ca 0.19 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 2hgi n ARG 94 Cb 0.63 -1.62 0.00 0.00 -1.16 0.00 0.00 32.46 30.31 2hgi n ARG 94 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgi n GLY 95 N 1.36 0.67 3.69 -0.13 0.00 -0.40 -5.12 105.19 105.27 2hgi n GLY 95 Ca -0.10 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 2hgi n GLY 95 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2hgi s LEU 96 N -0.07 3.25 -0.82 0.99 2.34 -1.08 -4.32 118.68 118.97 2hgi s LEU 96 Ca 0.00 -0.69 -0.26 0.00 0.06 0.00 0.00 54.13 53.24 2hgi s LEU 96 Cb 0.00 -1.75 -0.25 0.00 -0.56 0.00 0.00 46.19 43.63 2hgi s LEU 96 CO 0.00 -0.14 1.95 -0.81 -1.06 0.00 0.00 176.35 176.29 2hgi n PRO 97 N -1.02 0.07 0.00 1.48 -0.04 -1.26 -4.59 135.00 129.64 2hgi n PRO 97 Ca -0.05 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.93 2hgi n PRO 97 Cb 0.60 -3.51 0.00 0.00 -0.04 0.00 0.00 33.50 30.55 2hgi n PRO 97 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2hgi n VAL 98 N 8.45 0.00 -1.90 0.52 0.31 -1.26 -2.10 118.33 122.36 2hgi n VAL 98 Ca 0.40 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.48 2hgi n VAL 98 Cb 0.46 -0.70 0.04 0.00 -0.91 0.00 0.00 33.84 32.72 2hgi n VAL 98 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2hgi n ARG 99 N -0.67 3.41 0.00 5.55 5.12 -1.26 -4.96 116.66 123.86 2hgi n ARG 99 Ca 0.00 -4.01 0.00 0.00 -1.93 0.00 0.00 57.85 51.91 2hgi n ARG 99 Cb 0.00 -2.26 0.00 0.00 -1.16 0.00 0.00 32.46 29.04 2hgi n ARG 99 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2hgi n GLY 100 N -0.76 2.08 0.02 -0.13 0.00 -0.89 -5.01 105.19 100.50 2hgi n GLY 100 Ca 0.46 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2hgi n GLY 100 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hgi n GLN 101 N 0.00 0.00 0.01 1.61 3.00 -1.26 -4.44 117.38 116.30 2hgi n GLN 101 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 2hgi n GLN 101 Cb 0.00 -0.02 0.47 0.00 0.00 0.00 0.00 30.24 30.69 2hgi n GLN 101 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.06 176.97 2hgi h ARG 102 N -0.04 0.44 0.00 -1.09 9.65 -1.82 -3.45 114.38 118.07 2hgi h ARG 102 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2hgi h ARG 102 Cb 0.07 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 2hgi h ARG 102 CO 0.00 0.29 0.00 0.25 2.80 0.00 0.00 179.97 183.31 2hgi n THR 103 N -4.48 0.00 0.00 0.20 -2.24 -1.26 -4.31 114.28 102.19 2hgi n THR 103 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2hgi n THR 103 Cb 0.15 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 2hgi n THR 103 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2hgi n ARG 104 N 0.00 0.00 -4.49 -0.78 0.63 -1.26 -4.72 116.66 106.05 2hgi n ARG 104 Ca 0.00 0.04 -0.34 0.00 -0.92 0.00 0.00 57.85 56.63 2hgi n ARG 104 Cb 0.00 -0.57 -0.12 0.00 0.45 0.00 0.00 32.46 32.23 2hgi n ARG 104 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2hgi s THR 105 N -0.13 3.83 0.14 5.15 -4.23 -1.26 -4.97 115.64 114.16 2hgi s THR 105 Ca 0.00 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.11 2hgi s THR 105 Cb 0.00 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2hgi s THR 105 CO 0.00 0.54 0.00 0.59 -0.54 0.00 0.00 174.62 175.21 2hgi n ASN 106 N 3.03 -6.12 0.00 3.99 3.02 -1.26 -4.62 115.26 113.29 2hgi n ASN 106 Ca -0.18 0.81 0.00 0.00 -0.03 0.00 0.00 54.58 55.18 2hgi n ASN 106 Cb 0.53 -3.29 0.00 0.00 -0.61 0.00 0.00 39.78 36.41 2hgi n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hgi n ALA 107 N 1.00 0.00 0.22 5.41 0.00 -1.26 -4.01 120.51 121.86 2hgi n ALA 107 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2hgi n ALA 107 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 2hgi n ALA 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgi h ARG 108 N 0.00 0.00 -0.52 0.00 2.47 -1.94 0.34 114.38 114.72 2hgi h ARG 108 Ca 0.00 0.00 0.12 0.00 -1.26 0.00 0.00 59.98 58.84 2hgi h ARG 108 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.29 2hgi h ARG 108 CO 0.00 0.22 0.36 1.15 0.56 0.00 0.00 179.97 182.26 2hgi h THR 109 N 0.00 0.82 0.01 2.04 2.02 -1.97 -0.43 112.91 115.40 2hgi h THR 109 Ca -0.00 -0.06 -0.00 0.00 0.77 0.00 0.00 66.41 67.11 2hgi h THR 109 Cb 0.39 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2hgi h THR 109 CO 0.03 0.03 -0.00 -0.09 0.37 0.00 0.00 175.52 175.86 2hgi h ARG 110 N 0.18 -0.01 -0.52 6.66 9.65 -0.80 -3.39 114.38 126.14 2hgi h ARG 110 Ca 0.25 0.00 0.08 0.00 -1.10 0.00 0.00 59.98 59.20 2hgi h ARG 110 Cb 0.73 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 29.25 2hgi h ARG 110 CO -0.04 -0.01 0.18 -0.22 2.80 0.00 0.00 179.97 182.68 2hgi h LYS 111 N -0.71 0.34 0.00 0.20 3.64 -0.92 -3.47 116.57 115.66 2hgi h LYS 111 Ca -0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2hgi h LYS 111 Cb 0.01 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2hgi h LYS 111 CO 0.00 0.23 0.00 0.41 -2.27 0.00 0.00 179.45 177.82 2hgi n GLY 112 N -1.27 0.54 3.78 5.01 0.00 -0.19 -5.08 105.19 107.98 2hgi n GLY 112 Ca 0.06 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 2hgi n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hgi s PRO 113 N 0.00 3.95 0.75 1.61 0.04 -1.26 -4.69 135.00 135.40 2hgi s PRO 113 Ca 0.00 -0.08 -0.14 0.00 0.04 0.00 0.00 61.00 60.82 2hgi s PRO 113 Cb 0.00 -3.34 -0.12 0.00 0.04 0.00 0.00 34.50 31.09 2hgi s PRO 113 CO 0.00 0.46 -0.68 0.54 0.04 0.00 0.00 177.00 177.36 2hgi n ARG 114 N 2.94 0.00 -2.69 4.56 1.74 -1.26 -4.99 116.66 116.95 2hgi n ARG 114 Ca -0.16 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.84 2hgi n ARG 114 Cb 0.53 -0.75 0.09 0.00 -1.02 0.00 0.00 32.46 31.31 2hgi n ARG 114 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2hgi n LYS 115 N 1.88 1.18 -1.61 5.56 4.81 -1.26 -5.12 118.16 123.59 2hgi n LYS 115 Ca -0.02 -2.25 -0.55 0.00 -0.87 0.00 0.00 58.31 54.63 2hgi n LYS 115 Cb 0.44 -0.43 -0.07 0.00 0.02 0.00 0.00 35.03 34.99 2hgi n LYS 115 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2hgi n THR 116 N -0.41 0.07 0.00 3.15 -2.24 -1.26 -4.92 114.28 108.66 2hgi n THR 116 Ca 0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2hgi n THR 116 Cb 0.84 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2hgi n THR 116 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2hgi n VAL 117 N 2.89 0.00 0.00 2.28 0.24 -1.26 -5.14 118.33 117.35 2hgi n VAL 117 Ca 0.21 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 2hgi n VAL 117 Cb 0.16 0.85 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 2hgi n VAL 117 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgi n ALA 118 N -1.13 0.00 0.00 2.33 0.00 -1.26 -5.18 120.51 115.27 2hgi n ALA 118 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2hgi n ALA 118 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2hgi n ALA 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hgi n GLY 119 N 0.00 4.06 0.00 0.00 0.00 -1.26 -5.13 105.19 102.86 2hgi n GLY 119 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2hgi n GLY 119 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2hgi n LYS 120 N -1.42 0.00 0.00 1.61 4.81 -1.26 -5.11 118.16 116.79 2hgi n LYS 120 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2hgi n LYS 120 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2hgi n LYS 120 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2hgi n LYS 121 N 0.00 0.00 -2.23 1.64 3.00 -1.26 -5.09 118.16 114.22 2hgi n LYS 121 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.28 2hgi n LYS 121 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2hgi n LYS 121 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2hgi n LYS 122 N 0.00 -1.55 0.00 1.64 4.81 -1.26 -5.10 118.16 116.70 2hgi n LYS 122 Ca 0.00 1.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.98 2hgi n LYS 122 Cb 0.00 -3.71 0.00 0.00 0.02 0.00 0.00 35.03 31.34 2hgi n LYS 122 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2hgi n ALA 123 N -0.13 0.00 -0.11 3.14 0.00 -1.26 -5.08 120.51 117.07 2hgi n ALA 123 Ca 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.48 2hgi n ALA 123 Cb 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.62 2hgi n ALA 123 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2hgi n PRO 124 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.74 135.00 128.99 2hgi n PRO 124 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2hgi n PRO 124 Cb 0.00 -0.10 0.00 0.00 -0.02 0.00 0.00 33.50 33.38 2hgi n PRO 124 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 2hgi n ARG 125 N 0.47 0.95 0.00 -0.52 1.85 -1.26 -5.21 116.66 112.94 2hgi n ARG 125 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 2hgi n ARG 125 Cb 0.05 -1.26 0.00 0.00 -1.05 0.00 0.00 32.46 30.20 2hgi n ARG 125 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79