#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huy s GLN 3 N 0.00 3.07 0.22 5.31 -0.21 -1.24 -4.02 119.66 122.79 3huy s GLN 3 Ca 0.00 -1.86 -0.31 0.00 0.02 0.00 0.00 55.36 53.21 3huy s GLN 3 Cb 0.00 -4.30 -0.10 0.00 1.00 0.00 0.00 33.01 29.61 3huy s GLN 3 CO 0.00 -1.31 1.52 0.71 -2.12 0.00 0.00 175.29 174.09 3huy s TYR 4 N 1.31 3.00 -0.20 0.91 1.51 -0.98 -4.63 117.35 118.27 3huy s TYR 4 Ca 0.06 0.80 -0.08 0.00 -1.01 0.00 0.00 57.07 56.84 3huy s TYR 4 Cb -0.26 -3.91 -0.04 0.00 -0.11 0.00 0.00 41.96 37.64 3huy s TYR 4 CO 0.01 -3.16 0.07 -0.47 -1.11 0.00 0.00 175.55 170.89 3huy s TYR 5 N 0.54 3.22 -0.09 2.71 6.04 -1.26 -1.81 117.35 126.70 3huy s TYR 5 Ca 0.65 -0.01 0.00 0.00 0.04 0.00 0.00 57.07 57.75 3huy s TYR 5 Cb -0.44 -2.12 0.02 0.00 -1.04 0.00 0.00 41.96 38.38 3huy s TYR 5 CO 0.38 0.05 -0.08 0.20 -1.54 0.00 0.00 175.55 174.56 3huy s GLY 6 N 0.67 0.76 -0.35 8.97 0.00 0.12 -3.21 107.32 114.28 3huy s GLY 6 Ca 0.04 -0.44 -0.19 0.00 0.00 0.00 0.00 44.72 44.13 3huy s GLY 6 CO 0.02 0.61 0.56 -1.59 0.00 0.00 0.00 173.10 172.70 3huy s THR 7 N 1.38 4.97 0.67 0.90 2.01 -1.26 0.22 115.64 124.53 3huy s THR 7 Ca -0.02 0.43 -0.14 0.00 0.31 0.00 0.00 61.69 62.28 3huy s THR 7 Cb -0.14 -4.00 0.00 0.00 0.01 0.00 0.00 72.50 68.37 3huy s THR 7 CO -0.04 -0.25 1.09 -0.83 -0.69 0.00 0.00 174.62 173.90 3huy s GLY 8 N 1.77 1.98 0.00 4.40 0.00 0.59 -3.60 107.32 112.46 3huy s GLY 8 Ca 0.21 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.31 3huy s GLY 8 CO 0.14 0.72 0.00 -2.13 0.00 0.00 0.00 173.10 171.83 3huy n ARG 9 N -2.64 0.00 0.00 2.90 0.63 -1.14 -3.34 116.66 113.08 3huy n ARG 9 Ca 0.09 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.02 3huy n ARG 9 Cb 0.53 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.44 3huy n ARG 9 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 3huy n ARG 10 N -0.17 0.00 -3.61 -0.14 0.63 0.14 -4.27 116.66 109.24 3huy n ARG 10 Ca 0.00 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.67 3huy n ARG 10 Cb 0.00 0.00 0.04 0.00 0.45 0.00 0.00 32.46 32.95 3huy n ARG 10 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3huy n LYS 11 N 0.00 -2.30 0.00 -0.14 4.81 -1.26 -2.51 118.16 116.76 3huy n LYS 11 Ca 0.00 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3huy n LYS 11 Cb 0.00 -4.71 0.00 0.00 0.02 0.00 0.00 35.03 30.34 3huy n LYS 11 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3huy n GLU 12 N -4.02 0.00 -4.14 1.64 -0.58 -1.26 -4.71 120.64 107.56 3huy n GLU 12 Ca -0.14 0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.25 3huy n GLU 12 Cb 0.62 -1.24 -0.08 0.00 -0.57 0.00 0.00 31.44 30.17 3huy n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3huy s ALA 13 N -2.74 3.56 -0.05 0.62 0.00 -1.04 -3.26 121.76 118.84 3huy s ALA 13 Ca 0.00 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.18 3huy s ALA 13 Cb 0.00 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.48 3huy s ALA 13 CO 0.00 0.62 0.05 0.08 0.00 0.00 0.00 175.76 176.51 3huy s VAL 14 N -1.00 -0.00 -0.16 0.00 1.01 -1.26 0.27 120.40 119.26 3huy s VAL 14 Ca 0.16 0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.47 3huy s VAL 14 Cb -0.12 -0.25 0.04 0.00 0.00 0.00 0.00 36.38 36.05 3huy s VAL 14 CO 0.05 0.18 -0.04 0.00 0.00 0.00 0.00 175.10 175.29 3huy s ALA 15 N 2.13 1.38 -0.31 5.51 0.00 -1.21 -1.66 121.76 127.59 3huy s ALA 15 Ca 0.05 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.96 3huy s ALA 15 Cb -0.12 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.91 3huy s ALA 15 CO -0.04 -0.78 1.27 1.03 0.00 0.00 0.00 175.76 177.25 3huy s ARG 16 N 1.68 3.91 -0.16 0.00 0.52 0.49 0.22 118.95 125.61 3huy s ARG 16 Ca 0.01 1.19 -0.12 0.00 -0.52 0.00 0.00 55.73 56.29 3huy s ARG 16 Cb -0.15 -3.87 -0.05 0.00 0.52 0.00 0.00 34.95 31.40 3huy s ARG 16 CO -0.08 -1.12 0.22 0.08 0.02 0.00 0.00 175.30 174.43 3huy s VAL 17 N 4.33 5.35 0.14 3.52 1.01 0.61 -0.81 120.40 134.56 3huy s VAL 17 Ca 0.55 0.40 0.08 0.00 0.00 0.00 0.00 61.98 63.01 3huy s VAL 17 Cb -0.16 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3huy s VAL 17 CO 0.23 0.44 -0.18 -0.36 0.00 0.00 0.00 175.10 175.23 3huy s PHE 18 N 0.17 1.73 -0.34 5.22 2.99 0.15 0.13 117.98 128.04 3huy s PHE 18 Ca 0.14 -0.48 -0.00 0.00 0.00 0.00 0.00 56.93 56.59 3huy s PHE 18 Cb -0.12 -0.89 0.13 0.00 0.00 0.00 0.00 43.02 42.14 3huy s PHE 18 CO 0.02 0.27 0.21 -0.51 -0.00 0.00 0.00 175.22 175.22 3huy s LEU 19 N -2.48 0.75 -0.98 -0.37 1.43 -0.75 -1.49 118.68 114.80 3huy s LEU 19 Ca 0.13 -1.92 -0.06 0.00 -1.03 0.00 0.00 54.13 51.25 3huy s LEU 19 Cb -0.06 -0.27 0.24 0.00 0.03 0.00 0.00 46.19 46.14 3huy s LEU 19 CO 0.05 -0.33 0.92 -0.13 0.23 0.00 0.00 176.35 177.09 3huy s ARG 20 N 1.34 3.71 0.00 1.70 3.00 -1.24 -2.32 118.95 125.14 3huy s ARG 20 Ca 0.16 -3.14 0.00 0.00 0.00 0.00 0.00 55.73 52.75 3huy s ARG 20 Cb -0.21 -4.27 0.00 0.00 0.00 0.00 0.00 34.95 30.47 3huy s ARG 20 CO -0.08 -1.25 0.00 -2.30 0.00 0.00 0.00 175.30 171.67 3huy n PRO 21 N 2.71 0.00 0.00 3.54 -0.02 -1.26 -2.82 135.00 137.15 3huy n PRO 21 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 3huy n PRO 21 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.87 3huy n PRO 21 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huy n GLY 22 N 0.00 -1.86 0.01 -1.23 0.00 -1.22 -4.47 105.19 96.43 3huy n GLY 22 Ca 0.00 0.81 0.06 0.00 0.00 0.00 0.00 46.02 46.89 3huy n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3huy n ASN 23 N 0.00 1.74 0.00 1.61 5.03 -1.25 -4.68 115.26 117.72 3huy n ASN 23 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3huy n ASN 23 Cb 0.00 1.58 0.00 0.00 -1.02 0.00 0.00 39.78 40.34 3huy n ASN 23 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3huy n GLY 24 N 1.74 2.01 3.54 7.41 0.00 -0.30 -4.74 105.19 114.84 3huy n GLY 24 Ca -0.04 -0.03 -0.47 0.00 0.00 0.00 0.00 46.02 45.47 3huy n GLY 24 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3huy n LYS 25 N 0.00 0.94 -4.07 1.61 2.85 -1.26 -4.45 118.16 113.79 3huy n LYS 25 Ca 0.00 0.33 -0.33 0.00 -1.05 0.00 0.00 58.31 57.26 3huy n LYS 25 Cb 0.00 -1.67 -0.15 0.00 -0.65 0.00 0.00 35.03 32.56 3huy n LYS 25 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3huy s VAL 26 N -0.73 2.37 -0.23 0.58 1.01 -1.26 -3.14 120.40 119.00 3huy s VAL 26 Ca 0.66 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.63 3huy s VAL 26 Cb -0.82 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.46 3huy s VAL 26 CO 0.57 0.47 0.20 -0.89 0.00 0.00 0.00 175.10 175.44 3huy s THR 27 N 1.32 5.34 -0.21 3.92 2.01 0.61 0.22 115.64 128.85 3huy s THR 27 Ca 0.04 0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 3huy s THR 27 Cb -0.14 -3.53 0.06 0.00 0.01 0.00 0.00 72.50 68.90 3huy s THR 27 CO -0.10 0.34 0.03 -0.69 -0.69 0.00 0.00 174.62 173.50 3huy s VAL 28 N 1.02 0.74 -1.07 3.82 1.01 -0.54 0.71 120.40 126.10 3huy s VAL 28 Ca 0.09 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.31 3huy s VAL 28 Cb -0.13 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 35.01 3huy s VAL 28 CO 0.04 -0.24 0.89 0.59 0.00 0.00 0.00 175.10 176.39 3huy n ASN 29 N 4.96 -2.15 -2.85 3.32 4.13 0.68 -2.92 115.26 120.43 3huy n ASN 29 Ca -0.09 -0.56 -0.19 0.00 1.68 0.00 0.00 54.58 55.42 3huy n ASN 29 Cb 0.46 -4.64 0.01 0.00 -1.54 0.00 0.00 39.78 34.07 3huy n ASN 29 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3huy n GLY 30 N -1.12 -0.50 3.13 7.41 0.00 -1.26 -4.95 105.19 107.89 3huy n GLY 30 Ca -0.25 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 3huy n GLY 30 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3huy s GLN 31 N -5.49 0.26 0.49 1.61 0.74 -1.15 -5.14 119.66 110.98 3huy s GLN 31 Ca 0.20 0.70 -0.20 0.00 0.05 0.00 0.00 55.36 56.10 3huy s GLN 31 Cb -0.10 -0.03 -0.11 0.00 1.10 0.00 0.00 33.01 33.87 3huy s GLN 31 CO 0.24 -0.19 0.47 -3.47 -0.55 0.00 0.00 175.29 171.79 3huy n ASP 32 N 4.55 -1.20 -0.11 6.67 -0.08 -1.26 -1.46 116.55 123.65 3huy n ASP 32 Ca -0.20 0.81 -0.06 0.00 -1.51 0.00 0.00 54.79 53.84 3huy n ASP 32 Cb 0.53 -1.11 -0.04 0.00 2.34 0.00 0.00 41.12 42.83 3huy n ASP 32 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 3huy h PHE 33 N 0.50 -0.80 0.00 -0.67 3.57 0.24 -0.80 116.94 118.99 3huy h PHE 33 Ca -0.43 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.12 3huy h PHE 33 Cb 1.40 0.39 0.00 0.00 2.79 0.00 0.00 35.95 40.53 3huy h PHE 33 CO 0.33 -0.20 0.00 0.09 -2.23 0.00 0.00 178.31 176.30 3huy n ASN 34 N -3.94 0.96 -0.06 0.41 4.13 -1.26 -2.48 115.26 113.02 3huy n ASN 34 Ca -0.01 -1.93 -0.08 0.00 1.68 0.00 0.00 54.58 54.24 3huy n ASN 34 Cb 0.14 -0.48 -0.08 0.00 -1.54 0.00 0.00 39.78 37.82 3huy n ASN 34 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 3huy n GLU 35 N 0.02 1.24 0.16 3.52 2.13 -0.37 -4.24 120.64 123.11 3huy n GLU 35 Ca 0.00 0.04 0.12 0.00 0.66 0.00 0.00 57.16 57.98 3huy n GLU 35 Cb 0.24 -1.29 0.17 0.00 0.27 0.00 0.00 31.44 30.83 3huy n GLU 35 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 3huy h TYR 36 N 0.00 0.00 -1.78 4.31 3.20 -1.06 -3.29 116.97 118.34 3huy h TYR 36 Ca -0.32 0.00 -0.60 0.00 3.14 0.00 0.00 58.73 60.96 3huy h TYR 36 Cb 1.60 0.00 -0.41 0.00 1.54 0.00 0.00 36.73 39.46 3huy h TYR 36 CO 0.01 0.00 -0.64 1.19 -1.64 0.00 0.00 178.16 177.08 3huy n PHE 37 N -2.79 3.61 -2.08 -3.82 0.99 -1.10 -5.03 117.46 107.23 3huy n PHE 37 Ca 0.03 -3.37 -0.38 0.00 -0.00 0.00 0.00 57.45 53.73 3huy n PHE 37 Cb 0.51 -0.25 -0.03 0.00 -1.00 0.00 0.00 39.48 38.71 3huy n PHE 37 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 3huy s GLN 38 N -3.54 2.66 0.00 -1.08 -0.44 -1.24 -2.57 119.66 113.44 3huy s GLN 38 Ca 0.48 0.50 0.00 0.00 -2.50 0.00 0.00 55.36 53.84 3huy s GLN 38 Cb 0.36 -4.41 0.00 0.00 -1.64 0.00 0.00 33.01 27.32 3huy s GLN 38 CO -0.18 -2.72 0.00 0.41 0.50 0.00 0.00 175.29 173.30 3huy n GLY 39 N 5.74 1.20 3.18 2.59 0.00 -1.26 -5.05 105.19 111.59 3huy n GLY 39 Ca 0.20 -0.36 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 3huy n GLY 39 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3huy s LEU 40 N -0.12 5.76 0.51 0.99 1.43 -1.06 -4.90 118.68 121.29 3huy s LEU 40 Ca 0.00 -2.62 0.18 0.00 -1.03 0.00 0.00 54.13 50.66 3huy s LEU 40 Cb 0.00 -1.98 1.26 0.00 0.03 0.00 0.00 46.19 45.50 3huy s LEU 40 CO 0.00 -0.49 2.10 0.58 0.23 0.00 0.00 176.35 178.77 3huy h VAL 41 N 5.31 0.93 -0.43 -1.59 2.07 -1.97 -1.01 116.25 119.57 3huy h VAL 41 Ca -0.02 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3huy h VAL 41 Cb 1.00 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3huy h VAL 41 CO 0.75 0.01 0.00 -1.14 0.02 0.00 0.00 177.57 177.21 3huy n ARG 42 N -4.49 2.68 0.02 1.57 0.63 -1.26 -4.35 116.66 111.46 3huy n ARG 42 Ca 0.01 -1.82 -0.22 0.00 -0.92 0.00 0.00 57.85 54.90 3huy n ARG 42 Cb 0.23 -1.63 -0.14 0.00 0.45 0.00 0.00 32.46 31.37 3huy n ARG 42 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3huy h ALA 43 N 3.61 0.27 0.00 5.13 0.00 -1.56 -3.38 119.26 123.34 3huy h ALA 43 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 54.91 53.68 3huy h ALA 43 Cb 0.97 0.58 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3huy h ALA 43 CO 0.13 1.06 0.23 1.33 0.00 0.00 0.00 179.25 182.00 3huy n VAL 44 N -3.70 1.04 0.33 0.00 0.24 -1.26 -0.53 118.33 114.45 3huy n VAL 44 Ca -0.28 0.55 0.12 0.00 -2.04 0.00 0.00 64.34 62.69 3huy n VAL 44 Cb 0.99 -1.55 0.17 0.00 -1.47 0.00 0.00 33.84 31.98 3huy n VAL 44 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3huy h ALA 45 N 1.16 0.78 0.00 2.33 0.00 -1.89 -3.30 119.26 118.34 3huy h ALA 45 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3huy h ALA 45 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3huy h ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 3huy h ALA 46 N 2.19 1.00 0.00 0.00 0.00 -1.06 -2.48 119.26 118.92 3huy h ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3huy h ALA 46 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3huy h ALA 46 CO 0.00 0.00 -1.71 1.28 0.00 0.00 0.00 179.25 178.82 3huy n LEU 47 N -2.52 0.25 0.15 0.00 4.32 -1.24 -4.29 117.00 113.66 3huy n LEU 47 Ca -0.02 -0.13 0.04 0.00 -0.02 0.00 0.00 56.01 55.88 3huy n LEU 47 Cb 0.06 0.00 0.19 0.00 -1.62 0.00 0.00 43.42 42.06 3huy n LEU 47 CO 0.14 0.06 0.75 -0.62 -1.22 0.00 0.00 177.39 176.50 3huy n GLU 48 N -2.04 0.05 0.17 3.23 4.71 -0.93 -0.73 120.64 125.09 3huy n GLU 48 Ca -0.02 0.50 0.03 0.00 -0.01 0.00 0.00 57.16 57.66 3huy n GLU 48 Cb 0.49 -2.14 0.26 0.00 -1.01 0.00 0.00 31.44 29.04 3huy n GLU 48 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 3huy h PRO 49 N 0.00 0.00 -0.13 3.49 0.13 -1.84 -2.69 132.00 130.96 3huy h PRO 49 Ca 0.00 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.17 3huy h PRO 49 Cb 0.93 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 3huy h PRO 49 CO 0.00 0.48 0.12 -0.07 -0.23 0.00 0.00 178.00 178.29 3huy h LEU 50 N 0.00 0.00 -0.43 1.56 3.38 -1.29 0.11 115.31 118.64 3huy h LEU 50 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3huy h LEU 50 Cb 0.99 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3huy h LEU 50 CO 0.06 0.00 -0.16 0.03 0.09 0.00 0.00 178.44 178.46 3huy h ARG 51 N 0.00 0.87 0.00 1.13 -0.00 -1.64 1.83 114.38 116.57 3huy h ARG 51 Ca 0.06 -0.36 0.00 0.00 -0.50 0.00 0.00 59.98 59.18 3huy h ARG 51 Cb 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 29.97 30.23 3huy h ARG 51 CO -0.00 1.01 0.00 0.00 0.00 0.00 0.00 179.97 180.98 3huy h ALA 52 N 0.84 1.00 -0.46 0.04 0.00 -0.88 -3.36 119.26 116.44 3huy h ALA 52 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3huy h ALA 52 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3huy h ALA 52 CO 0.05 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.63 3huy n VAL 53 N -2.90 0.00 0.00 0.00 0.24 -0.88 -4.87 118.33 109.92 3huy n VAL 53 Ca -0.00 0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 3huy n VAL 53 Cb 0.21 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.40 3huy n VAL 53 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3huy n ASP 54 N -2.31 0.00 -2.84 -1.34 8.00 0.62 -5.05 116.55 113.63 3huy n ASP 54 Ca 0.00 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.42 3huy n ASP 54 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.08 3huy n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3huy n ALA 55 N 0.00 2.64 0.09 2.24 0.00 -1.17 -4.45 120.51 119.86 3huy n ALA 55 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 53.44 52.67 3huy n ALA 55 Cb 0.00 -2.57 0.05 0.00 0.00 0.00 0.00 19.45 16.92 3huy n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3huy n LEU 56 N 4.02 0.00 0.00 0.00 0.00 -1.26 -4.12 117.00 115.64 3huy n LEU 56 Ca 0.18 0.30 0.00 0.00 0.00 0.00 0.00 56.01 56.48 3huy n LEU 56 Cb 0.12 -0.30 0.00 0.00 0.00 0.00 0.00 43.42 43.25 3huy n LEU 56 CO 0.47 -0.28 0.00 0.61 0.00 0.00 0.00 177.39 178.19 3huy n GLY 57 N -1.13 0.00 0.59 -3.96 0.00 -1.26 -4.82 105.19 94.61 3huy n GLY 57 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3huy n GLY 57 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3huy n HIS 58 N 0.00 0.43 -3.91 1.61 -0.00 -1.26 -3.00 115.22 109.09 3huy n HIS 58 Ca 0.00 -0.20 -0.08 0.00 -0.00 0.00 0.00 57.72 57.44 3huy n HIS 58 Cb 0.00 -0.03 -0.08 0.00 -0.00 0.00 0.00 29.99 29.88 3huy n HIS 58 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3huy s PHE 59 N -1.63 0.23 -0.76 4.41 0.40 -1.26 -3.38 117.98 116.00 3huy s PHE 59 Ca 0.19 -0.69 0.03 0.00 -0.60 0.00 0.00 56.93 55.87 3huy s PHE 59 Cb 0.11 -0.14 0.19 0.00 0.51 0.00 0.00 43.02 43.69 3huy s PHE 59 CO 0.12 -0.50 0.60 -0.25 0.70 0.00 0.00 175.22 175.88 3huy n ASP 60 N -0.01 3.41 -4.50 1.36 8.00 -1.13 -1.14 116.55 122.54 3huy n ASP 60 Ca -0.15 -3.22 -0.42 0.00 0.71 0.00 0.00 54.79 51.72 3huy n ASP 60 Cb 0.62 -0.83 -0.08 0.00 -0.02 0.00 0.00 41.12 40.81 3huy n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3huy n ALA 61 N 1.94 0.72 -2.91 2.24 0.00 -1.19 -3.67 120.51 117.66 3huy n ALA 61 Ca 0.21 -0.48 -0.36 0.00 0.00 0.00 0.00 53.44 52.81 3huy n ALA 61 Cb 0.36 -2.73 -0.11 0.00 0.00 0.00 0.00 19.45 16.97 3huy n ALA 61 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3huy s TYR 62 N 9.81 3.15 0.14 0.00 5.04 -0.55 -0.29 117.35 134.65 3huy s TYR 62 Ca 1.13 -0.17 -0.00 0.00 -2.44 0.00 0.00 57.07 55.59 3huy s TYR 62 Cb -0.71 -2.18 -0.04 0.00 0.35 0.00 0.00 41.96 39.38 3huy s TYR 62 CO 0.40 -0.13 0.03 0.42 -1.34 0.00 0.00 175.55 174.93 3huy s ILE 63 N 1.09 0.27 -0.29 3.14 1.01 0.22 0.30 121.20 126.94 3huy s ILE 63 Ca 0.04 -1.92 -0.03 0.00 0.00 0.00 0.00 60.65 58.75 3huy s ILE 63 Cb -0.14 -2.03 0.11 0.00 0.01 0.00 0.00 42.46 40.42 3huy s ILE 63 CO 0.03 -0.51 0.19 0.28 0.00 0.00 0.00 174.94 174.94 3huy s THR 64 N -3.93 -0.19 -0.12 2.92 -1.32 0.01 -0.23 115.64 112.78 3huy s THR 64 Ca 0.23 -0.66 -0.10 0.00 -1.21 0.00 0.00 61.69 59.94 3huy s THR 64 Cb 0.07 -0.98 -0.05 0.00 -1.51 0.00 0.00 72.50 70.03 3huy s THR 64 CO 0.01 -0.63 0.22 0.54 -2.21 0.00 0.00 174.62 172.55 3huy s VAL 65 N 2.19 5.36 -0.40 5.08 0.11 -1.26 -0.38 120.40 131.10 3huy s VAL 65 Ca 0.09 0.40 0.08 0.00 -2.93 0.00 0.00 61.98 59.62 3huy s VAL 65 Cb -0.15 -3.52 0.25 0.00 -1.53 0.00 0.00 36.38 31.42 3huy s VAL 65 CO -0.36 0.53 0.54 0.54 -3.33 0.00 0.00 175.10 173.03 3huy n ARG 66 N 2.55 0.70 0.00 1.54 1.74 -0.66 -4.96 116.66 117.56 3huy n ARG 66 Ca -0.16 -3.11 0.00 0.00 -0.77 0.00 0.00 57.85 53.80 3huy n ARG 66 Cb 0.53 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 3huy n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3huy n GLY 67 N 1.48 4.71 0.37 -0.13 0.00 -1.26 -4.76 105.19 105.60 3huy n GLY 67 Ca 0.20 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3huy n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huy n GLY 68 N -1.93 0.97 3.33 -0.02 0.00 -1.20 -3.58 105.19 102.76 3huy n GLY 68 Ca 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 3huy n GLY 68 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3huy s GLY 69 N 0.00 -0.29 0.15 -0.02 0.00 -1.26 -4.99 107.32 100.91 3huy s GLY 69 Ca 0.00 0.78 -0.31 0.00 0.00 0.00 0.00 44.72 45.19 3huy s GLY 69 CO 0.00 0.55 1.53 0.50 0.00 0.00 0.00 173.10 175.68 3huy h LYS 70 N 4.07 -0.09 0.00 2.90 1.57 -1.97 3.84 116.57 126.89 3huy h LYS 70 Ca -0.28 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 3huy h LYS 70 Cb 1.17 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 3huy h LYS 70 CO 0.35 -0.06 -0.04 1.03 -0.57 0.00 0.00 179.45 180.17 3huy h SER 71 N -0.09 0.00 0.01 0.86 0.87 -1.97 0.54 113.55 113.77 3huy h SER 71 Ca 0.14 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3huy h SER 71 Cb 0.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 3huy h SER 71 CO -0.84 0.04 -0.00 1.23 -0.53 0.00 0.00 176.83 176.73 3huy h GLY 72 N 0.33 -0.01 -0.09 5.77 0.00 0.55 -3.34 103.07 106.27 3huy h GLY 72 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.40 3huy h GLY 72 CO 0.00 -0.00 -0.36 1.46 0.00 0.00 0.00 176.54 177.64 3huy h GLN 73 N -0.92 -0.33 -1.19 4.80 4.20 0.88 -0.53 115.11 122.02 3huy h GLN 73 Ca -0.00 0.02 0.44 0.00 0.06 0.00 0.00 58.65 59.17 3huy h GLN 73 Cb 0.83 0.07 -0.16 0.00 0.30 0.00 0.00 27.48 28.53 3huy h GLN 73 CO 0.00 -0.22 0.71 0.82 -0.67 0.00 0.00 178.83 179.48 3huy h ILE 74 N -0.34 0.02 0.24 2.54 2.04 -0.14 0.33 117.51 122.20 3huy h ILE 74 Ca 0.13 -0.01 -0.33 0.00 1.00 0.00 0.00 64.86 65.65 3huy h ILE 74 Cb 0.57 0.00 0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3huy h ILE 74 CO -0.48 0.00 -1.45 0.44 0.00 0.00 0.00 178.15 176.67 3huy h ASP 75 N 0.02 0.84 0.29 1.72 3.32 -1.22 -2.59 116.42 118.80 3huy h ASP 75 Ca 0.86 -0.88 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3huy h ASP 75 Cb 2.51 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 41.77 3huy h ASP 75 CO -0.61 1.69 -0.28 0.00 -1.72 0.00 0.00 179.24 178.32 3huy h ALA 76 N 0.19 -0.59 -0.11 3.45 0.00 0.10 -2.98 119.26 119.33 3huy h ALA 76 Ca -0.24 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3huy h ALA 76 Cb 2.14 0.39 -0.06 0.00 0.00 0.00 0.00 17.79 20.25 3huy h ALA 76 CO 0.27 -0.86 -0.38 0.82 0.00 0.00 0.00 179.25 179.10 3huy h ILE 77 N -0.59 0.19 0.00 0.00 2.04 -1.29 -0.75 117.51 117.12 3huy h ILE 77 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 3huy h ILE 77 Cb 0.54 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3huy h ILE 77 CO -0.05 0.00 0.49 0.50 0.00 0.00 0.00 178.15 179.09 3huy h LYS 78 N -0.47 0.00 0.00 2.37 3.64 -1.36 0.21 116.57 120.96 3huy h LYS 78 Ca 0.08 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.39 3huy h LYS 78 Cb 0.60 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3huy h LYS 78 CO -0.37 0.00 -0.43 1.25 -2.27 0.00 0.00 179.45 177.63 3huy h LEU 79 N 0.00 0.00 0.31 5.20 7.12 -0.99 -3.13 115.31 123.83 3huy h LEU 79 Ca 0.00 -0.61 -0.00 0.00 0.13 0.00 0.00 57.88 57.40 3huy h LEU 79 Cb 0.98 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 41.09 3huy h LEU 79 CO 0.00 1.05 -0.29 1.23 -0.13 0.00 0.00 178.44 180.30 3huy h GLY 80 N -1.00 -0.67 -0.65 3.75 0.00 -0.53 1.58 103.07 105.54 3huy h GLY 80 Ca -0.11 0.33 0.33 0.00 0.00 0.00 0.00 47.33 47.89 3huy h GLY 80 CO -0.06 -0.26 0.49 -2.22 0.00 0.00 0.00 176.54 174.48 3huy h ILE 81 N -0.63 0.21 0.09 2.60 1.08 -1.08 4.89 117.51 124.68 3huy h ILE 81 Ca -0.02 -0.07 -0.26 0.00 -0.39 0.00 0.00 64.86 64.12 3huy h ILE 81 Cb 0.57 -0.02 -0.00 0.00 -3.07 0.00 0.00 36.82 34.29 3huy h ILE 81 CO -0.04 0.04 -1.16 0.00 -0.69 0.00 0.00 178.15 176.29 3huy h ALA 82 N 1.89 0.18 0.00 1.87 0.00 -1.16 -2.17 119.26 119.86 3huy h ALA 82 Ca 0.73 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3huy h ALA 82 Cb 1.72 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.48 3huy h ALA 82 CO -0.67 1.02 -0.09 2.89 0.00 0.00 0.00 179.25 182.40 3huy n ARG 83 N -3.51 0.10 -0.06 0.00 1.85 0.53 -3.80 116.66 111.77 3huy n ARG 83 Ca -0.06 0.07 -0.04 0.00 -1.00 0.00 0.00 57.85 56.82 3huy n ARG 83 Cb 0.99 -1.61 -0.01 0.00 -1.05 0.00 0.00 32.46 30.77 3huy n ARG 83 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3huy h ALA 84 N 2.81 0.00 0.00 2.89 0.00 0.90 -3.27 119.26 122.60 3huy h ALA 84 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3huy h ALA 84 Cb 0.59 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3huy h ALA 84 CO 0.00 0.41 0.00 1.47 0.00 0.00 0.00 179.25 181.13 3huy n LEU 85 N -4.47 2.43 0.00 0.00 -0.00 -0.82 -0.38 117.00 113.75 3huy n LEU 85 Ca -0.06 -1.11 0.00 0.00 -0.00 0.00 0.00 56.01 54.84 3huy n LEU 85 Cb 0.21 -0.49 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 3huy n LEU 85 CO 0.09 0.45 -0.01 0.55 -0.00 0.00 0.00 177.39 178.47 3huy n VAL 86 N 1.48 0.00 0.28 1.47 3.14 -1.25 -4.62 118.33 118.83 3huy n VAL 86 Ca 0.00 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 3huy n VAL 86 Cb 0.26 -0.02 -0.06 0.00 -1.06 0.00 0.00 33.84 32.96 3huy n VAL 86 CO 0.00 0.00 0.00 -0.61 -6.46 0.00 0.00 176.83 169.76 3huy h GLN 87 N 0.00 -0.73 -0.32 1.45 4.15 -0.76 0.94 115.11 119.85 3huy h GLN 87 Ca 0.00 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 3huy h GLN 87 Cb 0.02 0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.88 3huy h GLN 87 CO 0.00 -0.48 0.00 0.66 -1.93 0.00 0.00 178.83 177.08 3huy n TYR 88 N -5.21 0.00 -2.67 3.99 4.02 -0.99 -3.48 117.16 112.82 3huy n TYR 88 Ca -0.09 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.75 3huy n TYR 88 Cb 0.30 -0.03 0.09 0.00 -0.02 0.00 0.00 39.34 39.68 3huy n TYR 88 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3huy n ASN 89 N -0.14 -1.41 0.00 7.72 3.02 -1.03 -4.98 115.26 118.44 3huy n ASN 89 Ca 0.00 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 3huy n ASN 89 Cb 0.08 1.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.25 3huy n ASN 89 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3huy n PRO 90 N 1.09 0.00 0.14 3.52 -0.04 0.32 0.10 135.00 140.13 3huy n PRO 90 Ca -0.01 0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.94 3huy n PRO 90 Cb 0.72 -1.51 0.51 0.00 -0.04 0.00 0.00 33.50 33.17 3huy n PRO 90 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 3huy h ASP 91 N 0.00 0.00 -3.44 3.54 2.03 -1.92 -3.40 116.42 113.22 3huy h ASP 91 Ca 0.00 0.00 -0.60 0.00 -0.73 0.00 0.00 57.03 55.70 3huy h ASP 91 Cb 0.03 0.00 -0.10 0.00 -0.83 0.00 0.00 39.33 38.42 3huy h ASP 91 CO 0.00 0.00 0.12 -0.31 -1.03 0.00 0.00 179.24 178.02 3huy s TYR 92 N -3.34 3.35 0.36 4.15 1.51 0.28 -4.75 117.35 118.91 3huy s TYR 92 Ca 0.04 0.89 0.00 0.00 -1.01 0.00 0.00 57.07 56.99 3huy s TYR 92 Cb 0.09 -2.80 0.00 0.00 -0.11 0.00 0.00 41.96 39.14 3huy s TYR 92 CO 0.40 -0.21 0.00 -2.13 -1.11 0.00 0.00 175.55 172.50 3huy n ARG 93 N 5.22 0.00 0.10 -0.62 3.00 -1.26 -4.82 116.66 118.28 3huy n ARG 93 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 57.85 57.98 3huy n ARG 93 Cb 0.49 0.00 0.34 0.00 0.00 0.00 0.00 32.46 33.29 3huy n ARG 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3huy h ALA 94 N 0.00 2.30 0.00 5.13 0.00 -1.97 0.42 119.26 125.13 3huy h ALA 94 Ca 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.58 3huy h ALA 94 Cb 0.00 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3huy h ALA 94 CO 0.00 -1.17 -2.20 0.36 0.00 0.00 0.00 179.25 176.25 3huy n LYS 95 N -2.94 1.09 0.02 0.00 -0.00 -1.26 -4.04 118.16 111.02 3huy n LYS 95 Ca 0.09 0.01 -0.14 0.00 -0.00 0.00 0.00 58.31 58.27 3huy n LYS 95 Cb 1.09 -1.44 -0.03 0.00 -0.00 0.00 0.00 35.03 34.64 3huy n LYS 95 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3huy h LEU 96 N 0.00 0.72 0.00 -5.58 5.85 -0.53 -3.32 115.31 112.45 3huy h LEU 96 Ca -0.47 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 57.76 3huy h LEU 96 Cb 2.02 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.84 3huy h LEU 96 CO 0.01 1.26 -0.19 1.17 -0.34 0.00 0.00 178.44 180.35 3huy n LYS 97 N -3.87 0.14 -0.13 1.25 4.81 -0.59 -1.84 118.16 117.92 3huy n LYS 97 Ca -0.06 0.25 -0.03 0.00 -0.87 0.00 0.00 58.31 57.60 3huy n LYS 97 Cb 0.75 -0.96 -0.03 0.00 0.02 0.00 0.00 35.03 34.81 3huy n LYS 97 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 3huy n PRO 98 N -2.99 -0.14 0.19 1.64 -0.02 -1.26 -0.12 135.00 132.30 3huy n PRO 98 Ca -0.03 1.02 0.13 0.00 -2.02 0.00 0.00 63.50 62.60 3huy n PRO 98 Cb 0.10 -1.51 0.65 0.00 -0.02 0.00 0.00 33.50 32.72 3huy n PRO 98 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3huy h LEU 99 N 0.00 0.00 -2.69 2.45 -0.00 -1.77 -3.47 115.31 109.83 3huy h LEU 99 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 3huy h LEU 99 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.79 3huy h LEU 99 CO -0.29 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 178.76 3huy n GLY 100 N -0.76 0.88 0.00 0.83 0.00 0.83 -5.01 105.19 101.97 3huy n GLY 100 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3huy n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3huy n PHE 101 N -1.33 0.00 -3.87 1.61 0.99 -0.86 -4.92 117.46 109.08 3huy n PHE 101 Ca 0.00 -0.15 -0.34 0.00 -0.00 0.00 0.00 57.45 56.97 3huy n PHE 101 Cb 0.45 -0.01 -0.13 0.00 -1.00 0.00 0.00 39.48 38.79 3huy n PHE 101 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.76 175.59 3huy s LEU 102 N -0.29 5.00 -0.10 4.37 1.98 -0.77 -4.59 118.68 124.28 3huy s LEU 102 Ca 0.00 -2.25 -0.31 0.00 -2.89 0.00 0.00 54.13 48.68 3huy s LEU 102 Cb 0.00 -1.75 0.12 0.00 0.66 0.00 0.00 46.19 45.23 3huy s LEU 102 CO 0.00 -0.44 1.04 -0.89 -1.89 0.00 0.00 176.35 174.17 3huy s THR 103 N 0.81 0.00 -0.19 3.68 2.01 -1.26 -4.94 115.64 115.74 3huy s THR 103 Ca 0.11 0.00 -0.05 0.00 0.31 0.00 0.00 61.69 62.06 3huy s THR 103 Cb -0.21 -1.00 -0.21 0.00 0.01 0.00 0.00 72.50 71.08 3huy s THR 103 CO -0.05 0.00 0.07 -1.14 -0.69 0.00 0.00 174.62 172.81 3huy n ARG 104 N -0.05 0.69 -0.60 4.92 3.00 -1.26 -4.97 116.66 118.39 3huy n ARG 104 Ca -0.05 0.25 0.00 0.00 -0.00 0.00 0.00 57.85 58.05 3huy n ARG 104 Cb 0.60 -1.62 0.00 0.00 0.00 0.00 0.00 32.46 31.43 3huy n ARG 104 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3huy n ASP 105 N -3.54 -0.81 0.19 6.15 4.64 -1.26 -4.45 116.55 117.48 3huy n ASP 105 Ca -0.39 0.00 0.17 0.00 -1.38 0.00 0.00 54.79 53.19 3huy n ASP 105 Cb 0.98 -0.40 0.82 0.00 -1.04 0.00 0.00 41.12 41.48 3huy n ASP 105 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3huy h ALA 106 N 0.00 1.84 -1.76 -1.67 0.00 -2.02 -3.40 119.26 112.25 3huy h ALA 106 Ca 0.00 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 54.29 3huy h ALA 106 Cb 0.34 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 3huy h ALA 106 CO 0.00 -0.33 1.39 0.54 0.00 0.00 0.00 179.25 180.86 3huy n ARG 107 N -3.80 1.82 -3.71 0.00 1.74 -1.26 -4.95 116.66 106.50 3huy n ARG 107 Ca 0.02 0.55 -0.14 0.00 -0.77 0.00 0.00 57.85 57.51 3huy n ARG 107 Cb 0.35 -2.91 -0.09 0.00 -1.02 0.00 0.00 32.46 28.79 3huy n ARG 107 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3huy s VAL 108 N 7.08 0.01 -0.38 1.55 -7.23 -1.26 -4.66 120.40 115.51 3huy s VAL 108 Ca 1.01 -0.08 -0.13 0.00 -1.81 0.00 0.00 61.98 60.97 3huy s VAL 108 Cb -0.55 -0.67 -0.09 0.00 0.56 0.00 0.00 36.38 35.63 3huy s VAL 108 CO 0.42 -0.05 1.06 0.52 -0.31 0.00 0.00 175.10 176.75 3huy n VAL 109 N 2.40 0.00 -2.40 1.32 0.31 -1.26 -4.78 118.33 113.91 3huy n VAL 109 Ca -0.15 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.78 3huy n VAL 109 Cb 0.57 -0.20 -0.04 0.00 -0.91 0.00 0.00 33.84 33.26 3huy n VAL 109 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3huy s GLU 110 N 3.47 4.46 0.27 5.55 -1.05 -1.26 -4.95 118.70 125.19 3huy s GLU 110 Ca 0.54 1.84 -0.27 0.00 -0.15 0.00 0.00 54.97 56.93 3huy s GLU 110 Cb -0.52 -3.03 -0.16 0.00 -0.44 0.00 0.00 34.13 29.98 3huy s GLU 110 CO 0.21 0.04 0.60 -2.13 0.95 0.00 0.00 175.26 174.93 3huy n ARG 111 N 0.84 0.39 -2.98 -4.83 0.63 -1.26 -4.89 116.66 104.56 3huy n ARG 111 Ca 0.00 0.14 -0.40 0.00 -0.92 0.00 0.00 57.85 56.67 3huy n ARG 111 Cb 0.45 -1.26 -0.04 0.00 0.45 0.00 0.00 32.46 32.05 3huy n ARG 111 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3huy s LYS 112 N -1.20 4.40 0.14 -0.14 2.20 -1.26 -4.56 119.74 119.31 3huy s LYS 112 Ca 0.62 0.95 0.04 0.00 -0.36 0.00 0.00 55.97 57.22 3huy s LYS 112 Cb -0.81 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 31.99 3huy s LYS 112 CO 0.58 -0.07 0.16 0.15 -0.36 0.00 0.00 175.35 175.81 3huy s LYS 113 N 1.25 3.04 0.90 4.03 3.01 -1.26 -4.84 119.74 125.87 3huy s LYS 113 Ca 0.38 -0.76 -0.11 0.00 -1.01 0.00 0.00 55.97 54.47 3huy s LYS 113 Cb -0.18 -2.74 0.13 0.00 -1.01 0.00 0.00 37.83 34.03 3huy s LYS 113 CO 0.17 0.51 1.09 1.52 0.51 0.00 0.00 175.35 179.15 3huy s TYR 114 N -1.68 2.18 0.00 3.18 -0.00 -1.26 -3.04 117.35 116.74 3huy s TYR 114 Ca 0.32 1.37 0.00 0.00 -0.00 0.00 0.00 57.07 58.75 3huy s TYR 114 Cb -0.11 -3.16 0.00 0.00 -0.00 0.00 0.00 41.96 38.69 3huy s TYR 114 CO 0.24 -2.48 0.00 0.41 -0.00 0.00 0.00 175.55 173.72 3huy n GLY 115 N -0.79 2.05 3.13 5.49 0.00 -1.26 -4.98 105.19 108.83 3huy n GLY 115 Ca 0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.91 3huy n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huy s LYS 116 N -0.12 0.85 0.17 1.61 -0.14 -1.17 -4.47 119.74 116.47 3huy s LYS 116 Ca 0.00 -0.74 -0.08 0.00 -1.36 0.00 0.00 55.97 53.79 3huy s LYS 116 Cb 0.00 -0.83 0.05 0.00 -1.68 0.00 0.00 37.83 35.36 3huy s LYS 116 CO 0.00 0.20 1.53 0.45 -0.76 0.00 0.00 175.35 176.78 3huy h HIS 117 N 4.90 1.02 -1.16 3.18 3.86 -1.24 -3.40 115.15 122.31 3huy h HIS 117 Ca -0.37 -0.28 -0.39 0.00 -1.16 0.00 0.00 60.37 58.16 3huy h HIS 117 Cb 1.18 -0.22 -0.29 0.00 1.06 0.00 0.00 27.41 29.14 3huy h HIS 117 CO 0.54 1.07 -0.87 1.63 0.86 0.00 0.00 177.93 181.17 3huy n LYS 118 N -4.07 0.92 0.00 2.45 5.02 -1.23 -4.99 118.16 116.26 3huy n LYS 118 Ca -0.01 -2.72 0.00 0.00 -2.02 0.00 0.00 58.31 53.56 3huy n LYS 118 Cb 0.51 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.12 3huy n LYS 118 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3huy n ALA 119 N 0.66 0.00 0.00 7.82 0.00 -1.26 -3.78 120.51 123.95 3huy n ALA 119 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3huy n ALA 119 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 3huy n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3huy n ARG 120 N 0.00 0.00 -1.65 0.00 1.74 -1.26 -4.55 116.66 110.94 3huy n ARG 120 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 3huy n ARG 120 Cb 0.00 -0.25 -0.10 0.00 -1.02 0.00 0.00 32.46 31.09 3huy n ARG 120 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3huy s ARG 121 N -1.00 1.42 0.70 5.56 3.00 -1.25 -4.87 118.95 122.50 3huy s ARG 121 Ca 0.00 -0.28 -0.13 0.00 -1.00 0.00 0.00 55.73 54.31 3huy s ARG 121 Cb 0.00 -4.96 0.02 0.00 0.00 0.00 0.00 34.95 30.01 3huy s ARG 121 CO 0.00 -5.09 1.10 0.00 0.00 0.00 0.00 175.30 171.31 3huy s ALA 122 N 15.84 2.42 0.71 6.12 0.00 -1.26 -0.78 121.76 144.82 3huy s ALA 122 Ca 0.82 0.42 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 3huy s ALA 122 Cb -0.06 -3.29 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3huy s ALA 122 CO 0.15 -1.41 1.08 -1.25 0.00 0.00 0.00 175.76 174.33 3huy s PRO 123 N -4.42 2.64 -0.35 0.00 0.04 -1.26 -4.79 135.00 126.85 3huy s PRO 123 Ca 0.64 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 3huy s PRO 123 Cb -0.19 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 3huy s PRO 123 CO 0.47 -1.35 2.27 1.04 0.04 0.00 0.00 177.00 179.48 3huy n GLN 124 N -3.07 1.37 -2.07 4.56 1.13 -1.26 -4.94 117.38 113.11 3huy n GLN 124 Ca 0.09 0.32 -0.41 0.00 -1.94 0.00 0.00 57.00 55.06 3huy n GLN 124 Cb 0.53 -2.91 -0.02 0.00 0.11 0.00 0.00 30.24 27.94 3huy n GLN 124 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3huy s TYR 125 N 8.74 3.04 0.04 1.08 6.04 -1.26 -4.96 117.35 130.07 3huy s TYR 125 Ca 1.05 1.23 -0.03 0.00 0.04 0.00 0.00 57.07 59.36 3huy s TYR 125 Cb -0.54 -3.74 -0.01 0.00 -1.04 0.00 0.00 41.96 36.63 3huy s TYR 125 CO 0.39 -2.23 -0.06 0.43 -1.54 0.00 0.00 175.55 172.54 3huy n SER 126 N 1.59 1.20 0.00 4.32 7.64 -1.26 -4.96 113.62 122.15 3huy n SER 126 Ca 0.03 0.17 0.00 0.00 1.01 0.00 0.00 58.87 60.08 3huy n SER 126 Cb 0.41 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3huy n SER 126 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 3huy n LYS 127 N -3.64 0.00 0.00 1.43 4.81 -1.26 -5.36 118.16 114.14 3huy n LYS 127 Ca -0.03 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.51 3huy n LYS 127 Cb 0.12 -2.10 0.61 0.00 0.02 0.00 0.00 35.03 33.69 3huy n LYS 127 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46