#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgi s GLN 3 N 0.00 0.02 -0.11 5.31 0.74 -1.26 -4.18 119.66 120.18 2hgi s GLN 3 Ca 0.00 0.04 -0.09 0.00 0.05 0.00 0.00 55.36 55.36 2hgi s GLN 3 Cb 0.00 0.02 0.03 0.00 1.10 0.00 0.00 33.01 34.16 2hgi s GLN 3 CO 0.00 -0.01 0.28 0.71 -0.55 0.00 0.00 175.29 175.72 2hgi s TYR 4 N 1.81 -0.32 0.01 1.67 1.51 -0.06 -4.90 117.35 117.07 2hgi s TYR 4 Ca -0.01 0.77 -0.02 0.00 -1.01 0.00 0.00 57.07 56.80 2hgi s TYR 4 Cb -0.01 0.10 -0.04 0.00 -0.11 0.00 0.00 41.96 41.91 2hgi s TYR 4 CO -0.15 -0.16 0.17 -0.47 -1.11 0.00 0.00 175.55 173.83 2hgi s TYR 5 N 0.34 3.51 -0.20 2.71 6.04 -1.26 -1.19 117.35 127.29 2hgi s TYR 5 Ca -0.02 0.32 -0.03 0.00 0.04 0.00 0.00 57.07 57.38 2hgi s TYR 5 Cb -0.03 -1.80 0.07 0.00 -1.04 0.00 0.00 41.96 39.15 2hgi s TYR 5 CO -0.01 0.62 0.06 0.20 -1.54 0.00 0.00 175.55 174.88 2hgi s GLY 6 N -2.02 0.62 -0.25 8.97 0.00 0.08 -1.54 107.32 113.17 2hgi s GLY 6 Ca 0.28 -0.69 -0.15 0.00 0.00 0.00 0.00 44.72 44.17 2hgi s GLY 6 CO 0.20 1.57 0.35 -1.59 0.00 0.00 0.00 173.10 173.63 2hgi s THR 7 N 1.94 5.20 -0.18 0.90 2.01 -1.23 -1.01 115.64 123.28 2hgi s THR 7 Ca 0.01 0.55 -0.02 0.00 0.31 0.00 0.00 61.69 62.54 2hgi s THR 7 Cb -0.17 -3.68 0.05 0.00 0.01 0.00 0.00 72.50 68.72 2hgi s THR 7 CO -0.12 0.20 0.01 -0.83 -0.69 0.00 0.00 174.62 173.19 2hgi s GLY 8 N 1.45 0.77 0.04 4.40 0.00 -0.16 -3.58 107.32 110.24 2hgi s GLY 8 Ca 0.15 -0.71 -0.09 0.00 0.00 0.00 0.00 44.72 44.07 2hgi s GLY 8 CO 0.09 1.27 0.19 0.50 0.00 0.00 0.00 173.10 175.15 2hgi s ARG 9 N 1.80 0.71 0.00 2.90 0.52 -1.26 -0.76 118.95 122.85 2hgi s ARG 9 Ca -0.00 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2hgi s ARG 9 Cb -0.16 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.60 2hgi s ARG 9 CO -0.07 -0.21 0.00 2.89 0.02 0.00 0.00 175.30 177.93 2hgi n ARG 10 N 0.62 0.00 -3.95 3.54 1.85 -0.34 -4.22 116.66 114.16 2hgi n ARG 10 Ca -0.18 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.31 2hgi n ARG 10 Cb 0.59 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 32.02 2hgi n ARG 10 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2hgi n LYS 11 N -0.09 -0.53 -2.23 2.89 4.81 -1.26 -0.59 118.16 121.16 2hgi n LYS 11 Ca 0.00 0.09 -0.04 0.00 -0.87 0.00 0.00 58.31 57.49 2hgi n LYS 11 Cb 0.00 -1.86 -0.00 0.00 0.02 0.00 0.00 35.03 33.19 2hgi n LYS 11 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2hgi n GLU 12 N -3.98 -2.47 -4.07 1.64 0.00 -1.26 -4.67 120.64 105.83 2hgi n GLU 12 Ca -0.13 0.18 -0.33 0.00 0.00 0.00 0.00 57.16 56.89 2hgi n GLU 12 Cb 0.49 -4.63 -0.15 0.00 0.00 0.00 0.00 31.44 27.15 2hgi n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2hgi s ALA 13 N -2.02 2.49 -0.40 -1.84 0.00 0.24 -0.85 121.76 119.38 2hgi s ALA 13 Ca 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 51.96 50.40 2hgi s ALA 13 Cb 0.00 -1.44 0.09 0.00 0.00 0.00 0.00 23.12 21.77 2hgi s ALA 13 CO 0.00 -0.80 0.21 0.08 0.00 0.00 0.00 175.76 175.26 2hgi s VAL 14 N 1.21 3.71 -0.52 0.00 1.01 -0.25 -1.20 120.40 124.36 2hgi s VAL 14 Ca -0.02 -1.67 -0.02 0.00 0.00 0.00 0.00 61.98 60.27 2hgi s VAL 14 Cb -0.17 -3.36 0.14 0.00 0.00 0.00 0.00 36.38 32.99 2hgi s VAL 14 CO -0.08 -0.54 0.32 0.00 0.00 0.00 0.00 175.10 174.79 2hgi s ALA 15 N 1.29 3.37 -0.62 5.51 0.00 0.06 -1.02 121.76 130.35 2hgi s ALA 15 Ca 0.04 -2.98 -0.19 0.00 0.00 0.00 0.00 51.96 48.83 2hgi s ALA 15 Cb -0.23 -2.49 0.10 0.00 0.00 0.00 0.00 23.12 20.51 2hgi s ALA 15 CO -0.01 -1.97 0.77 0.50 0.00 0.00 0.00 175.76 175.05 2hgi s ARG 16 N 0.37 3.09 -0.15 0.00 3.52 -0.14 -0.99 118.95 124.65 2hgi s ARG 16 Ca 0.14 -1.30 -0.07 0.00 -0.13 0.00 0.00 55.73 54.36 2hgi s ARG 16 Cb -0.22 -4.30 -0.04 0.00 -1.56 0.00 0.00 34.95 28.84 2hgi s ARG 16 CO -0.04 -1.59 0.11 0.08 -0.81 0.00 0.00 175.30 173.06 2hgi s VAL 17 N 2.83 5.26 -0.10 7.11 1.01 -0.18 -0.78 120.40 135.57 2hgi s VAL 17 Ca 0.14 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.25 2hgi s VAL 17 Cb -0.22 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.85 2hgi s VAL 17 CO 0.06 0.54 -0.08 -0.36 0.00 0.00 0.00 175.10 175.26 2hgi s PHE 18 N -0.40 1.38 0.17 5.22 0.40 -0.10 -0.74 117.98 123.92 2hgi s PHE 18 Ca 0.11 -0.62 0.11 0.00 -0.60 0.00 0.00 56.93 55.93 2hgi s PHE 18 Cb -0.12 -1.13 -0.04 0.00 0.51 0.00 0.00 43.02 42.24 2hgi s PHE 18 CO 0.01 -0.43 -0.24 -1.17 0.70 0.00 0.00 175.22 174.10 2hgi s LEU 19 N 1.43 2.44 -0.14 -0.37 0.20 -0.34 -1.12 118.68 120.79 2hgi s LEU 19 Ca -0.01 -0.81 -0.20 0.00 0.69 0.00 0.00 54.13 53.80 2hgi s LEU 19 Cb -0.13 -1.22 0.05 0.00 -0.43 0.00 0.00 46.19 44.46 2hgi s LEU 19 CO -0.05 0.14 0.52 -0.13 -0.29 0.00 0.00 176.35 176.54 2hgi s ARG 20 N -2.51 0.71 -0.17 1.98 0.52 -0.48 -0.88 118.95 118.12 2hgi s ARG 20 Ca 0.19 0.48 -0.34 0.00 -0.52 0.00 0.00 55.73 55.54 2hgi s ARG 20 Cb -0.09 0.34 -0.16 0.00 0.52 0.00 0.00 34.95 35.56 2hgi s ARG 20 CO 0.09 -0.14 1.03 -2.30 0.02 0.00 0.00 175.30 174.00 2hgi n PRO 21 N 2.18 0.00 0.00 3.54 -0.02 -1.26 -0.87 135.00 138.58 2hgi n PRO 21 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2hgi n PRO 21 Cb 0.56 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.84 2hgi n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hgi n GLY 22 N 2.03 -1.79 0.00 -1.23 0.00 -0.01 -4.42 105.19 99.77 2hgi n GLY 22 Ca 0.20 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.87 2hgi n GLY 22 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hgi n ASN 23 N -0.31 0.00 -1.68 1.61 4.05 -0.76 -4.36 115.26 113.81 2hgi n ASN 23 Ca 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 54.58 54.98 2hgi n ASN 23 Cb 0.00 0.00 0.01 0.00 1.23 0.00 0.00 39.78 41.02 2hgi n ASN 23 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2hgi n GLY 24 N 0.00 1.11 3.90 8.20 0.00 -0.34 0.35 105.19 118.42 2hgi n GLY 24 Ca 0.00 -0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2hgi n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hgi s LYS 25 N 0.05 3.65 -0.27 1.61 3.01 -1.25 -4.90 119.74 121.64 2hgi s LYS 25 Ca 0.04 -0.01 -0.01 0.00 -1.01 0.00 0.00 55.97 54.98 2hgi s LYS 25 Cb 0.18 -2.73 0.08 0.00 -1.01 0.00 0.00 37.83 34.35 2hgi s LYS 25 CO -0.05 0.34 0.05 0.08 0.51 0.00 0.00 175.35 176.28 2hgi s VAL 26 N -1.86 0.96 -0.99 3.17 1.01 -1.24 -0.93 120.40 120.52 2hgi s VAL 26 Ca 0.43 -1.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.03 2hgi s VAL 26 Cb -0.11 -1.56 0.10 0.00 0.00 0.00 0.00 36.38 34.81 2hgi s VAL 26 CO 0.26 -0.44 1.28 -0.89 0.00 0.00 0.00 175.10 175.31 2hgi s THR 27 N 1.61 4.40 -0.91 3.92 2.01 0.10 -2.55 115.64 124.23 2hgi s THR 27 Ca 0.04 -1.30 -0.25 0.00 0.31 0.00 0.00 61.69 60.49 2hgi s THR 27 Cb -0.18 -4.91 -0.11 0.00 0.01 0.00 0.00 72.50 67.31 2hgi s THR 27 CO -0.16 -1.70 2.16 -0.69 -0.69 0.00 0.00 174.62 173.54 2hgi s VAL 28 N 3.60 3.22 -0.53 3.82 1.01 0.82 -1.16 120.40 131.18 2hgi s VAL 28 Ca 0.39 -0.23 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 2hgi s VAL 28 Cb -0.03 -3.65 0.07 0.00 0.00 0.00 0.00 36.38 32.77 2hgi s VAL 28 CO -0.09 -0.45 0.17 -3.20 0.00 0.00 0.00 175.10 171.53 2hgi n ASN 29 N 16.74 -0.92 0.00 3.32 5.15 0.74 0.81 115.26 141.10 2hgi n ASN 29 Ca 0.44 -0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 2hgi n ASN 29 Cb 0.45 -0.85 0.00 0.00 -0.53 0.00 0.00 39.78 38.85 2hgi n ASN 29 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2hgi n GLY 30 N -0.57 1.02 0.00 8.20 0.00 -1.23 -4.95 105.19 107.66 2hgi n GLY 30 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2hgi n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hgi n GLN 31 N 0.00 1.34 -3.66 1.61 3.00 0.24 -5.01 117.38 114.90 2hgi n GLN 31 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 2hgi n GLN 31 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 2hgi n GLN 31 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 2hgi s ASP 32 N 0.06 6.36 0.00 1.08 -1.08 -1.21 0.29 116.67 122.16 2hgi s ASP 32 Ca 0.00 0.37 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 2hgi s ASP 32 Cb 0.00 -2.00 0.00 0.00 -1.46 0.00 0.00 42.92 39.46 2hgi s ASP 32 CO 0.00 -0.11 0.00 0.33 0.52 0.00 0.00 175.17 175.91 2hgi n PHE 33 N -1.03 0.00 0.00 -5.34 -0.00 -1.06 -0.64 117.46 109.39 2hgi n PHE 33 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 2hgi n PHE 33 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.03 2hgi n PHE 33 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2hgi n ASN 34 N 0.00 0.00 -0.01 -2.13 3.02 -1.26 0.17 115.26 115.05 2hgi n ASN 34 Ca 0.00 0.09 -0.11 0.00 -0.03 0.00 0.00 54.58 54.53 2hgi n ASN 34 Cb 0.00 -0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 38.99 2hgi n ASN 34 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2hgi h GLU 35 N 0.00 -0.09 -0.37 3.52 4.81 -1.64 -3.32 114.58 117.49 2hgi h GLU 35 Ca 0.00 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 2hgi h GLU 35 Cb 0.02 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 2hgi h GLU 35 CO 0.00 0.49 -0.40 -0.92 -0.73 0.00 0.00 179.01 177.45 2hgi h TYR 36 N -0.87 1.11 -0.29 0.92 3.20 0.21 -3.28 116.97 117.98 2hgi h TYR 36 Ca -0.01 -0.34 -0.32 0.00 3.14 0.00 0.00 58.73 61.21 2hgi h TYR 36 Cb 0.62 -0.23 -0.09 0.00 1.54 0.00 0.00 36.73 38.57 2hgi h TYR 36 CO 0.14 1.17 0.20 1.19 -1.64 0.00 0.00 178.16 179.21 2hgi n PHE 37 N -4.05 0.64 -0.65 -3.82 0.99 -0.36 -4.95 117.46 105.24 2hgi n PHE 37 Ca -0.02 -1.76 -0.31 0.00 -0.00 0.00 0.00 57.45 55.36 2hgi n PHE 37 Cb 0.55 -1.62 -0.06 0.00 -1.00 0.00 0.00 39.48 37.35 2hgi n PHE 37 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 2hgi n GLN 38 N 2.17 0.00 -1.37 -1.08 1.13 -1.24 -0.12 117.38 116.87 2hgi n GLN 38 Ca 0.48 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.54 2hgi n GLN 38 Cb 0.76 -0.78 0.00 0.00 0.11 0.00 0.00 30.24 30.33 2hgi n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2hgi n GLY 39 N 3.86 -0.18 3.53 1.08 0.00 -1.26 -4.77 105.19 107.46 2hgi n GLY 39 Ca 0.29 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 2hgi n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hgi s LEU 40 N -2.65 4.25 0.32 0.99 1.43 0.83 -4.83 118.68 119.03 2hgi s LEU 40 Ca 0.00 -0.17 0.10 0.00 -1.03 0.00 0.00 54.13 53.03 2hgi s LEU 40 Cb 0.00 -2.93 0.55 0.00 0.03 0.00 0.00 46.19 43.84 2hgi s LEU 40 CO 0.00 -0.97 1.17 0.52 0.23 0.00 0.00 176.35 177.31 2hgi n VAL 41 N 6.14 0.48 0.03 -1.59 0.31 -1.26 -0.01 118.33 122.42 2hgi n VAL 41 Ca 0.02 0.74 -0.05 0.00 -0.01 0.00 0.00 64.34 65.04 2hgi n VAL 41 Cb 0.48 -1.74 -0.03 0.00 -0.91 0.00 0.00 33.84 31.64 2hgi n VAL 41 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2hgi h ARG 42 N 0.00 -0.21 0.00 5.55 2.47 -1.88 -3.36 114.38 116.95 2hgi h ARG 42 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 2hgi h ARG 42 Cb 0.79 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.16 2hgi h ARG 42 CO 0.00 -0.14 0.00 0.00 0.56 0.00 0.00 179.97 180.39 2hgi n ALA 43 N -2.60 0.00 -0.21 0.04 0.00 0.98 -0.72 120.51 118.00 2hgi n ALA 43 Ca -0.02 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.58 2hgi n ALA 43 Cb 0.12 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.83 2hgi n ALA 43 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2hgi n VAL 44 N 0.00 -0.05 -0.44 0.00 0.24 -1.26 -1.05 118.33 115.77 2hgi n VAL 44 Ca 0.00 0.58 0.36 0.00 -2.04 0.00 0.00 64.34 63.25 2hgi n VAL 44 Cb 0.00 -0.96 0.65 0.00 -1.47 0.00 0.00 33.84 32.06 2hgi n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2hgi h ALA 45 N 0.46 2.77 -1.77 2.33 0.00 -1.21 -2.14 119.26 119.70 2hgi h ALA 45 Ca 0.32 0.09 -0.72 0.00 0.00 0.00 0.00 54.91 54.59 2hgi h ALA 45 Cb 1.15 0.17 -0.33 0.00 0.00 0.00 0.00 17.79 18.79 2hgi h ALA 45 CO -0.09 -1.36 0.33 0.00 0.00 0.00 0.00 179.25 178.13 2hgi n ALA 46 N -2.56 5.29 0.00 0.00 0.00 -0.22 -4.29 120.51 118.74 2hgi n ALA 46 Ca 0.36 -4.69 0.00 0.00 0.00 0.00 0.00 53.44 49.10 2hgi n ALA 46 Cb 1.40 -1.66 0.00 0.00 0.00 0.00 0.00 19.45 19.19 2hgi n ALA 46 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2hgi n LEU 47 N 0.24 0.00 -0.25 0.00 -0.00 -0.81 -4.78 117.00 111.41 2hgi n LEU 47 Ca 0.37 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 56.41 2hgi n LEU 47 Cb 0.33 0.00 0.13 0.00 -0.00 0.00 0.00 43.42 43.87 2hgi n LEU 47 CO 0.49 0.00 0.79 -0.33 -0.00 0.00 0.00 177.39 178.34 2hgi h GLU 48 N 0.00 0.06 0.00 1.96 4.39 -1.80 2.41 114.58 121.61 2hgi h GLU 48 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2hgi h GLU 48 Cb 0.00 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 2hgi h GLU 48 CO 0.00 0.04 0.46 -1.00 -1.16 0.00 0.00 179.01 177.35 2hgi h PRO 49 N 0.07 0.00 0.05 2.33 0.13 -1.90 2.36 132.00 135.04 2hgi h PRO 49 Ca 0.38 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.37 2hgi h PRO 49 Cb 0.64 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 2hgi h PRO 49 CO -0.67 0.00 -0.72 1.25 -0.23 0.00 0.00 178.00 177.63 2hgi h LEU 50 N 0.00 0.17 -1.19 1.56 6.46 0.37 -3.20 115.31 119.49 2hgi h LEU 50 Ca 0.00 -0.86 0.42 0.00 -0.12 0.00 0.00 57.88 57.32 2hgi h LEU 50 Cb 0.92 -0.06 -0.15 0.00 -0.73 0.00 0.00 40.66 40.64 2hgi h LEU 50 CO 0.00 1.31 0.70 -0.09 -0.62 0.00 0.00 178.44 179.73 2hgi h ARG 51 N -0.73 0.07 0.00 1.25 9.65 0.54 -2.86 114.38 122.31 2hgi h ARG 51 Ca -0.16 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2hgi h ARG 51 Cb 1.35 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.91 2hgi h ARG 51 CO 0.00 0.05 0.00 0.00 2.80 0.00 0.00 179.97 182.82 2hgi n ALA 52 N -2.39 0.00 -0.02 2.80 0.00 -0.38 -0.77 120.51 119.76 2hgi n ALA 52 Ca 0.37 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.89 2hgi n ALA 52 Cb 1.33 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 20.62 2hgi n ALA 52 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2hgi n VAL 53 N -1.70 0.20 -0.30 0.00 0.31 -1.10 -5.05 118.33 110.69 2hgi n VAL 53 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.79 2hgi n VAL 53 Cb 0.00 -0.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.87 2hgi n VAL 53 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2hgi n ASP 54 N -2.31 -0.68 0.00 4.52 -0.08 0.05 -5.15 116.55 112.90 2hgi n ASP 54 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 2hgi n ASP 54 Cb 0.64 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.76 2hgi n ASP 54 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hgi n ALA 55 N 1.98 0.00 -1.69 -1.67 0.00 -1.26 -5.03 120.51 112.84 2hgi n ALA 55 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2hgi n ALA 55 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 2hgi n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2hgi n LEU 56 N 0.00 6.43 0.00 0.00 0.00 -1.26 -4.47 117.00 117.71 2hgi n LEU 56 Ca 0.00 -4.54 0.00 0.00 0.00 0.00 0.00 56.01 51.47 2hgi n LEU 56 Cb 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 43.42 42.72 2hgi n LEU 56 CO 0.00 1.78 0.00 0.61 0.00 0.00 0.00 177.39 179.78 2hgi n GLY 57 N -0.80 1.00 0.09 -3.96 0.00 -1.08 -4.40 105.19 96.03 2hgi n GLY 57 Ca 0.54 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.66 2hgi n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2hgi n HIS 58 N 0.00 0.71 -4.73 1.61 8.25 0.45 -3.86 115.22 117.65 2hgi n HIS 58 Ca 0.00 0.21 -0.31 0.00 -0.26 0.00 0.00 57.72 57.37 2hgi n HIS 58 Cb 0.10 -0.85 -0.13 0.00 1.12 0.00 0.00 29.99 30.22 2hgi n HIS 58 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2hgi s PHE 59 N -3.37 2.48 -0.23 4.41 0.40 1.10 -0.83 117.98 121.95 2hgi s PHE 59 Ca -0.03 -0.31 -0.25 0.00 -0.60 0.00 0.00 56.93 55.75 2hgi s PHE 59 Cb 0.11 -1.43 -0.01 0.00 0.51 0.00 0.00 43.02 42.19 2hgi s PHE 59 CO 0.82 0.21 0.83 -0.51 0.70 0.00 0.00 175.22 177.28 2hgi s ASP 60 N -1.39 6.87 -0.34 1.36 1.01 -0.05 -1.19 116.67 122.94 2hgi s ASP 60 Ca 0.14 1.07 -0.08 0.00 0.71 0.00 0.00 52.55 54.39 2hgi s ASP 60 Cb -0.10 -2.44 0.02 0.00 1.01 0.00 0.00 42.92 41.41 2hgi s ASP 60 CO 0.04 -0.49 0.14 0.00 0.21 0.00 0.00 175.17 175.07 2hgi s ALA 61 N 2.69 3.16 -0.10 5.23 0.00 -0.11 -1.38 121.76 131.25 2hgi s ALA 61 Ca 0.36 -1.64 0.03 0.00 0.00 0.00 0.00 51.96 50.71 2hgi s ALA 61 Cb -0.16 -2.37 0.01 0.00 0.00 0.00 0.00 23.12 20.60 2hgi s ALA 61 CO 0.08 -1.23 -0.19 -0.47 0.00 0.00 0.00 175.76 173.95 2hgi s TYR 62 N 1.50 2.21 0.05 0.00 5.04 -0.27 -0.72 117.35 125.15 2hgi s TYR 62 Ca 0.01 -0.95 0.02 0.00 -2.44 0.00 0.00 57.07 53.72 2hgi s TYR 62 Cb -0.19 -1.52 -0.03 0.00 0.35 0.00 0.00 41.96 40.58 2hgi s TYR 62 CO 0.04 -0.42 -0.08 0.42 -1.34 0.00 0.00 175.55 174.17 2hgi s ILE 63 N 0.59 0.58 -0.36 3.14 1.09 -0.31 -0.93 121.20 125.00 2hgi s ILE 63 Ca -0.14 -1.14 -0.00 0.00 -1.10 0.00 0.00 60.65 58.26 2hgi s ILE 63 Cb -0.17 -0.70 0.10 0.00 -1.06 0.00 0.00 42.46 40.63 2hgi s ILE 63 CO 0.04 -0.40 0.11 0.42 -0.10 0.00 0.00 174.94 175.01 2hgi s THR 64 N -1.51 2.87 -0.03 2.92 -4.23 0.04 -0.19 115.64 115.52 2hgi s THR 64 Ca -0.08 -2.03 0.01 0.00 -1.18 0.00 0.00 61.69 58.41 2hgi s THR 64 Cb -0.09 -2.95 0.02 0.00 1.34 0.00 0.00 72.50 70.82 2hgi s THR 64 CO 0.00 -0.54 -0.04 0.54 -0.54 0.00 0.00 174.62 174.04 2hgi s VAL 65 N 1.08 0.46 0.00 2.29 0.11 -1.26 -0.96 120.40 122.11 2hgi s VAL 65 Ca 0.06 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 2hgi s VAL 65 Cb -0.21 -0.48 0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2hgi s VAL 65 CO -0.05 0.20 0.00 -1.14 -3.33 0.00 0.00 175.10 170.78 2hgi n ARG 66 N 3.89 0.00 0.00 1.54 0.63 -0.18 -4.84 116.66 117.69 2hgi n ARG 66 Ca -0.24 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.69 2hgi n ARG 66 Cb 0.52 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.43 2hgi n ARG 66 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2hgi n GLY 67 N 0.00 0.11 0.21 5.14 0.00 -1.26 -1.09 105.19 108.31 2hgi n GLY 67 Ca 0.00 -2.21 -0.01 0.00 0.00 0.00 0.00 46.02 43.80 2hgi n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgi n GLY 68 N 0.00 -1.16 0.00 -0.02 0.00 -0.03 -4.82 105.19 99.16 2hgi n GLY 68 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 2hgi n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hgi n GLY 69 N -1.25 1.28 0.00 -0.02 0.00 -1.26 -5.06 105.19 98.87 2hgi n GLY 69 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2hgi n GLY 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2hgi n LYS 70 N -0.35 0.00 0.00 1.61 4.01 -1.26 -1.19 118.16 120.98 2hgi n LYS 70 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2hgi n LYS 70 Cb 0.00 -0.15 0.00 0.00 -0.51 0.00 0.00 35.03 34.37 2hgi n LYS 70 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2hgi n SER 71 N 0.00 0.00 -0.30 4.39 2.88 -1.26 0.52 113.62 119.85 2hgi n SER 71 Ca 0.00 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.60 2hgi n SER 71 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 2hgi n SER 71 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2hgi h GLY 72 N 0.00 0.83 0.88 0.46 0.00 -1.93 0.71 103.07 104.02 2hgi h GLY 72 Ca 0.00 0.20 0.03 0.00 0.00 0.00 0.00 47.33 47.56 2hgi h GLY 72 CO 0.00 -0.36 0.46 1.46 0.00 0.00 0.00 176.54 178.11 2hgi h GLN 73 N 0.04 0.88 0.31 4.80 4.20 0.16 -0.75 115.11 124.73 2hgi h GLN 73 Ca 0.45 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 59.10 2hgi h GLN 73 Cb 0.79 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.36 2hgi h GLN 73 CO -0.83 0.58 -0.33 0.82 -0.67 0.00 0.00 178.83 178.40 2hgi h ILE 74 N 0.90 0.00 -0.74 2.54 2.04 0.30 0.08 117.51 122.63 2hgi h ILE 74 Ca 0.29 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.19 2hgi h ILE 74 Cb 0.01 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.04 2hgi h ILE 74 CO -0.11 0.00 0.46 -2.24 0.00 0.00 0.00 178.15 176.26 2hgi h ASP 75 N -0.64 0.74 -0.43 1.72 2.03 -1.15 -0.20 116.42 118.48 2hgi h ASP 75 Ca -0.04 0.01 0.09 0.00 -0.73 0.00 0.00 57.03 56.36 2hgi h ASP 75 Cb 0.57 -0.15 -0.09 0.00 -0.83 0.00 0.00 39.33 38.82 2hgi h ASP 75 CO -0.06 0.50 -0.23 0.00 -1.03 0.00 0.00 179.24 178.42 2hgi h ALA 76 N 1.33 0.05 -0.26 4.15 0.00 -0.92 0.22 119.26 123.84 2hgi h ALA 76 Ca 0.31 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.39 2hgi h ALA 76 Cb 0.07 0.55 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 2hgi h ALA 76 CO -0.13 -0.60 -0.33 0.82 0.00 0.00 0.00 179.25 179.01 2hgi h ILE 77 N -0.15 0.00 -0.88 0.00 2.04 0.67 -0.37 117.51 118.82 2hgi h ILE 77 Ca 0.20 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.15 2hgi h ILE 77 Cb 0.47 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.44 2hgi h ILE 77 CO -0.52 0.00 -0.50 1.17 0.00 0.00 0.00 178.15 178.30 2hgi n LYS 78 N -4.27 -0.37 -0.27 2.37 0.00 0.63 0.69 118.16 116.94 2hgi n LYS 78 Ca -0.02 1.33 0.03 0.00 0.00 0.00 0.00 58.31 59.65 2hgi n LYS 78 Cb 0.20 -1.96 0.16 0.00 0.00 0.00 0.00 35.03 33.42 2hgi n LYS 78 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2hgi h LEU 79 N 0.00 0.54 0.08 3.14 -0.00 -0.58 0.37 115.31 118.86 2hgi h LEU 79 Ca 0.16 0.06 0.02 0.00 -0.00 0.00 0.00 57.88 58.12 2hgi h LEU 79 Cb 0.38 -0.04 -0.05 0.00 -0.00 0.00 0.00 40.66 40.95 2hgi h LEU 79 CO -0.83 0.30 -0.48 1.23 -0.00 0.00 0.00 178.44 178.65 2hgi h GLY 80 N 0.67 -1.00 -0.63 0.83 0.00 0.20 -0.58 103.07 102.56 2hgi h GLY 80 Ca 0.38 0.59 0.06 0.00 0.00 0.00 0.00 47.33 48.35 2hgi h GLY 80 CO -0.27 -0.26 -0.37 1.39 0.00 0.00 0.00 176.54 177.03 2hgi n ILE 81 N -5.47 -0.43 -0.31 2.60 5.41 0.13 0.17 119.36 121.46 2hgi n ILE 81 Ca -0.07 1.96 0.14 0.00 1.00 0.00 0.00 62.75 65.77 2hgi n ILE 81 Cb 0.40 -2.46 0.31 0.00 -0.71 0.00 0.00 39.64 37.18 2hgi n ILE 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2hgi h ALA 82 N 0.02 1.44 -0.78 -1.39 0.00 -0.64 0.60 119.26 118.50 2hgi h ALA 82 Ca 0.10 0.17 0.05 0.00 0.00 0.00 0.00 54.91 55.23 2hgi h ALA 82 Cb 0.26 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 2hgi h ALA 82 CO -0.59 -0.36 0.48 -0.09 0.00 0.00 0.00 179.25 178.69 2hgi h ARG 83 N 0.38 0.88 -0.46 0.00 2.43 0.33 0.29 114.38 118.24 2hgi h ARG 83 Ca 0.56 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.76 2hgi h ARG 83 Cb 1.09 -0.20 -0.06 0.00 -0.42 0.00 0.00 29.97 30.37 2hgi h ARG 83 CO -0.54 0.58 0.08 0.00 -1.51 0.00 0.00 179.97 178.58 2hgi h ALA 84 N 1.36 0.49 -0.64 2.80 0.00 0.20 0.07 119.26 123.54 2hgi h ALA 84 Ca 0.33 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.47 2hgi h ALA 84 Cb 0.11 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.93 2hgi h ALA 84 CO -0.15 -0.32 0.07 1.25 0.00 0.00 0.00 179.25 180.10 2hgi h LEU 85 N 0.21 -0.14 0.12 0.00 5.85 0.43 0.16 115.31 121.94 2hgi h LEU 85 Ca 0.23 0.14 0.02 0.00 0.84 0.00 0.00 57.88 59.10 2hgi h LEU 85 Cb 0.29 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 2hgi h LEU 85 CO -0.30 -0.07 -0.24 0.58 -0.34 0.00 0.00 178.44 178.07 2hgi h VAL 86 N 0.18 0.47 -0.66 1.05 2.07 0.32 0.08 116.25 119.77 2hgi h VAL 86 Ca 0.35 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.93 2hgi h VAL 86 Cb 0.56 0.47 -0.08 0.00 -1.52 0.00 0.00 31.29 30.72 2hgi h VAL 86 CO -0.50 0.00 -0.41 1.56 0.02 0.00 0.00 177.57 178.25 2hgi h GLN 87 N -0.44 -0.02 0.36 1.57 1.08 0.11 0.56 115.11 118.32 2hgi h GLN 87 Ca 0.03 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.21 2hgi h GLN 87 Cb 0.46 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.90 2hgi h GLN 87 CO -0.13 -0.01 -0.17 -0.92 -0.95 0.00 0.00 178.83 176.64 2hgi h TYR 88 N -0.02 -0.45 -2.48 2.96 3.20 -1.02 -3.32 116.97 115.83 2hgi h TYR 88 Ca 0.11 -0.01 -0.65 0.00 3.14 0.00 0.00 58.73 61.32 2hgi h TYR 88 Cb 0.29 0.15 -0.39 0.00 1.54 0.00 0.00 36.73 38.32 2hgi h TYR 88 CO -0.98 -0.28 -0.29 0.09 -1.64 0.00 0.00 178.16 175.06 2hgi n ASN 89 N -5.30 4.25 -2.06 -2.11 3.02 0.00 -4.89 115.26 108.17 2hgi n ASN 89 Ca -0.11 -3.40 -0.02 0.00 -0.03 0.00 0.00 54.58 51.02 2hgi n ASN 89 Cb 0.21 -0.82 -0.03 0.00 -0.61 0.00 0.00 39.78 38.54 2hgi n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2hgi n PRO 90 N 1.12 0.49 -2.73 3.52 -0.04 0.19 -2.35 135.00 135.20 2hgi n PRO 90 Ca 0.28 -0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.50 2hgi n PRO 90 Cb 0.39 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.44 2hgi n PRO 90 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2hgi n ASP 91 N 2.29 -0.62 -2.45 3.54 2.03 -1.26 -4.99 116.55 115.09 2hgi n ASP 91 Ca 0.07 -2.74 -0.12 0.00 0.52 0.00 0.00 54.79 52.51 2hgi n ASP 91 Cb 0.23 0.48 0.03 0.00 -0.72 0.00 0.00 41.12 41.14 2hgi n ASP 91 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2hgi n TYR 92 N -0.23 2.02 0.25 -0.67 0.53 -0.99 -4.94 117.16 113.13 2hgi n TYR 92 Ca 0.04 -2.25 -0.11 0.00 -1.02 0.00 0.00 57.90 54.56 2hgi n TYR 92 Cb 0.81 -0.28 -0.05 0.00 -1.03 0.00 0.00 39.34 38.79 2hgi n TYR 92 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 2hgi h ARG 93 N 2.44 -0.67 -2.00 -0.72 9.65 -1.94 -0.33 114.38 120.81 2hgi h ARG 93 Ca 0.11 0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.03 2hgi h ARG 93 Cb 1.37 0.15 0.00 0.00 -1.39 0.00 0.00 29.97 30.10 2hgi h ARG 93 CO 0.49 -0.44 0.00 0.00 2.80 0.00 0.00 179.97 182.81 2hgi n ALA 94 N -2.62 1.40 0.15 2.80 0.00 -1.26 -1.21 120.51 119.77 2hgi n ALA 94 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2hgi n ALA 94 Cb 0.27 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 17.87 2hgi n ALA 94 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2hgi n LYS 95 N 1.92 0.00 0.00 0.00 4.76 -1.24 -4.94 118.16 118.67 2hgi n LYS 95 Ca 0.00 0.00 0.09 0.00 -2.87 0.00 0.00 58.31 55.53 2hgi n LYS 95 Cb 0.00 0.00 0.47 0.00 -1.84 0.00 0.00 35.03 33.66 2hgi n LYS 95 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2hgi n LEU 96 N -3.29 0.00 -0.10 -0.35 7.94 -0.13 -3.03 117.00 118.04 2hgi n LEU 96 Ca 0.00 0.33 -0.18 0.00 -1.11 0.00 0.00 56.01 55.05 2hgi n LEU 96 Cb 0.00 -0.33 -0.09 0.00 0.53 0.00 0.00 43.42 43.53 2hgi n LEU 96 CO 0.00 -0.12 -0.50 1.17 -1.11 0.00 0.00 177.39 176.84 2hgi n LYS 97 N -1.33 0.54 0.00 1.96 3.00 -0.35 -2.40 118.16 119.58 2hgi n LYS 97 Ca 0.08 0.56 0.00 0.00 -0.00 0.00 0.00 58.31 58.95 2hgi n LYS 97 Cb 0.16 -1.73 0.00 0.00 0.00 0.00 0.00 35.03 33.46 2hgi n LYS 97 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2hgi n PRO 98 N -4.48 0.00 -0.10 1.64 -0.02 -1.19 0.84 135.00 131.70 2hgi n PRO 98 Ca -0.26 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.37 2hgi n PRO 98 Cb 0.58 -0.88 0.00 0.00 -0.02 0.00 0.00 33.50 33.18 2hgi n PRO 98 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2hgi n LEU 99 N -0.54 2.31 0.00 2.45 7.99 -1.17 -4.80 117.00 123.24 2hgi n LEU 99 Ca 0.00 -1.10 -0.02 0.00 -0.01 0.00 0.00 56.01 54.87 2hgi n LEU 99 Cb 0.00 -0.43 0.02 0.00 -0.11 0.00 0.00 43.42 42.90 2hgi n LEU 99 CO 0.00 0.41 0.03 0.61 -1.51 0.00 0.00 177.39 176.92 2hgi n GLY 100 N 1.00 -2.44 3.35 -0.72 0.00 0.25 -4.86 105.19 101.76 2hgi n GLY 100 Ca 0.00 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 45.08 2hgi n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hgi s PHE 101 N -0.81 -0.44 -0.36 1.61 0.40 -1.01 -4.90 117.98 112.48 2hgi s PHE 101 Ca 0.05 0.95 0.09 0.00 -0.60 0.00 0.00 56.93 57.42 2hgi s PHE 101 Cb -0.01 0.19 0.34 0.00 0.51 0.00 0.00 43.02 44.05 2hgi s PHE 101 CO 0.04 -0.35 1.34 1.47 0.70 0.00 0.00 175.22 178.42 2hgi n LEU 102 N 2.06 -1.62 0.00 -0.37 -0.00 -1.26 -4.91 117.00 110.90 2hgi n LEU 102 Ca -0.17 -3.09 0.00 0.00 -0.00 0.00 0.00 56.01 52.75 2hgi n LEU 102 Cb 0.57 0.18 0.00 0.00 -0.00 0.00 0.00 43.42 44.17 2hgi n LEU 102 CO 0.16 1.72 0.00 0.41 -0.00 0.00 0.00 177.39 179.68 2hgi n THR 103 N -0.82 0.00 0.18 1.47 -1.04 -1.26 -4.96 114.28 107.85 2hgi n THR 103 Ca -0.10 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.74 2hgi n THR 103 Cb 0.82 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 69.23 2hgi n THR 103 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2hgi h ARG 104 N 0.00 -0.81 0.00 -2.82 3.08 -2.01 -3.48 114.38 108.34 2hgi h ARG 104 Ca 0.00 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2hgi h ARG 104 Cb 0.00 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2hgi h ARG 104 CO 0.00 -0.54 0.00 -0.25 -1.07 0.00 0.00 179.97 178.11 2hgi n ASP 105 N -5.51 0.00 -3.03 7.04 8.00 -1.26 -4.72 116.55 117.06 2hgi n ASP 105 Ca -0.10 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.29 2hgi n ASP 105 Cb 0.43 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.54 2hgi n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2hgi n ALA 106 N 0.00 -2.80 -2.74 2.24 0.00 -1.26 -5.02 120.51 110.94 2hgi n ALA 106 Ca 0.00 0.74 -0.07 0.00 0.00 0.00 0.00 53.44 54.11 2hgi n ALA 106 Cb 0.00 -2.94 0.05 0.00 0.00 0.00 0.00 19.45 16.56 2hgi n ALA 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgi n ARG 107 N -0.73 0.64 -4.00 0.00 1.74 -1.26 -5.15 116.66 107.90 2hgi n ARG 107 Ca 0.04 -1.58 -0.26 0.00 -0.77 0.00 0.00 57.85 55.29 2hgi n ARG 107 Cb 0.51 -1.24 -0.04 0.00 -1.02 0.00 0.00 32.46 30.68 2hgi n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2hgi s VAL 108 N 0.63 5.00 0.00 1.55 -7.23 -1.26 -4.95 120.40 114.14 2hgi s VAL 108 Ca 0.31 -0.85 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 2hgi s VAL 108 Cb 0.20 -3.57 0.00 0.00 0.56 0.00 0.00 36.38 33.57 2hgi s VAL 108 CO -0.20 -0.11 0.23 0.52 -0.31 0.00 0.00 175.10 175.24 2hgi n VAL 109 N -0.50 0.00 0.00 1.32 0.31 -1.26 -4.75 118.33 113.46 2hgi n VAL 109 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2hgi n VAL 109 Cb 0.54 -1.21 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 2hgi n VAL 109 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2hgi n GLU 110 N 2.44 0.00 0.00 5.55 0.00 -1.26 -4.75 120.64 122.63 2hgi n GLU 110 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2hgi n GLU 110 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2hgi n GLU 110 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 2hgi n ARG 111 N -2.33 0.00 -4.91 3.44 0.63 -1.26 -5.11 116.66 107.12 2hgi n ARG 111 Ca 0.00 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.65 2hgi n ARG 111 Cb 0.00 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 32.74 2hgi n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 2hgi s LYS 112 N -2.00 2.21 0.00 -0.14 2.20 -1.26 -3.83 119.74 116.92 2hgi s LYS 112 Ca 0.00 -0.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.96 2hgi s LYS 112 Cb 0.00 -1.79 0.00 0.00 -1.51 0.00 0.00 37.83 34.53 2hgi s LYS 112 CO 0.00 0.17 0.00 1.63 -0.36 0.00 0.00 175.35 176.79 2hgi n LYS 113 N 3.46 0.00 0.00 4.03 4.01 -1.26 -4.86 118.16 123.54 2hgi n LYS 113 Ca -0.20 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.60 2hgi n LYS 113 Cb 0.52 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.04 2hgi n LYS 113 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2hgi n TYR 114 N 0.00 0.00 0.00 2.13 4.01 -1.26 -4.67 117.16 117.37 2hgi n TYR 114 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2hgi n TYR 114 Cb 0.00 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.99 2hgi n TYR 114 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hgi n GLY 115 N 0.65 0.76 0.00 2.72 0.00 -1.26 -5.00 105.19 103.06 2hgi n GLY 115 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2hgi n GLY 115 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hgi n LYS 116 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.69 118.16 113.82 2hgi n LYS 116 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2hgi n LYS 116 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 2hgi n LYS 116 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2hgi n HIS 117 N 0.00 0.00 0.00 5.58 8.25 -1.26 -2.20 115.22 125.59 2hgi n HIS 117 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2hgi n HIS 117 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2hgi n HIS 117 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2hgi n LYS 118 N 0.00 0.00 -2.24 -0.41 4.76 -1.26 -3.99 118.16 115.02 2hgi n LYS 118 Ca 0.00 0.00 -0.21 0.00 -2.87 0.00 0.00 58.31 55.23 2hgi n LYS 118 Cb 0.00 -1.15 -0.03 0.00 -1.84 0.00 0.00 35.03 32.01 2hgi n LYS 118 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2hgi n ALA 119 N -0.24 -0.56 0.00 7.82 0.00 -1.23 -4.24 120.51 122.06 2hgi n ALA 119 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2hgi n ALA 119 Cb 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.27 2hgi n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgi n ARG 120 N -2.89 0.00 -1.11 0.00 1.74 -1.26 -5.05 116.66 108.10 2hgi n ARG 120 Ca -0.24 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.49 2hgi n ARG 120 Cb 0.69 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 32.03 2hgi n ARG 120 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2hgi n ARG 121 N -0.50 0.53 -2.61 5.56 0.63 -0.93 -4.89 116.66 114.44 2hgi n ARG 121 Ca 0.00 -1.54 -0.42 0.00 -0.92 0.00 0.00 57.85 54.97 2hgi n ARG 121 Cb 0.00 -3.11 -0.03 0.00 0.45 0.00 0.00 32.46 29.77 2hgi n ARG 121 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2hgi s ALA 122 N 9.82 3.43 0.07 5.13 0.00 -1.26 -4.14 121.76 134.81 2hgi s ALA 122 Ca 0.70 0.45 -0.12 0.00 0.00 0.00 0.00 51.96 52.99 2hgi s ALA 122 Cb 0.08 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.66 2hgi s ALA 122 CO 0.24 -0.65 0.25 -0.35 0.00 0.00 0.00 175.76 175.24 2hgi n PRO 123 N 5.06 0.00 -2.72 0.00 -0.04 -1.26 -4.89 135.00 131.15 2hgi n PRO 123 Ca 0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.29 2hgi n PRO 123 Cb 0.48 -0.45 -0.00 0.00 -0.04 0.00 0.00 33.50 33.49 2hgi n PRO 123 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2hgi s GLN 124 N -0.35 3.52 0.00 0.54 -2.07 -1.26 -5.11 119.66 114.93 2hgi s GLN 124 Ca 0.28 0.13 0.00 0.00 -1.82 0.00 0.00 55.36 53.95 2hgi s GLN 124 Cb -0.41 -2.41 0.00 0.00 -1.09 0.00 0.00 33.01 29.10 2hgi s GLN 124 CO 0.23 -0.17 0.00 0.66 -1.32 0.00 0.00 175.29 174.69 2hgi n TYR 125 N -2.21 0.00 0.00 9.60 4.02 -1.26 -5.17 117.16 122.14 2hgi n TYR 125 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2hgi n TYR 125 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 2hgi n TYR 125 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2hgi n SER 126 N 0.00 0.00 -2.51 7.72 7.64 -1.26 -5.10 113.62 120.11 2hgi n SER 126 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 2hgi n SER 126 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 2hgi n SER 126 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2hgi n LYS 127 N 0.00 2.46 0.00 1.43 2.85 -1.26 -5.38 118.16 118.26 2hgi n LYS 127 Ca 0.00 -3.79 0.14 0.00 -1.05 0.00 0.00 58.31 53.61 2hgi n LYS 127 Cb 0.00 -1.85 0.63 0.00 -0.65 0.00 0.00 35.03 33.15 2hgi n LYS 127 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89