#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huy n LEU 2 N 0.00 -5.10 0.00 3.17 -0.00 -1.26 -4.95 117.00 108.87 3huy n LEU 2 Ca 0.00 0.95 0.00 0.00 -0.00 0.00 0.00 56.01 56.96 3huy n LEU 2 Cb 0.00 -2.16 0.00 0.00 -0.00 0.00 0.00 43.42 41.26 3huy n LEU 2 CO 0.00 -2.38 0.08 0.35 -0.00 0.00 0.00 177.39 175.44 3huy n THR 3 N 1.44 0.00 -4.15 1.96 -2.24 -1.26 -4.70 114.28 105.33 3huy n THR 3 Ca -0.04 0.67 -0.35 0.00 -2.27 0.00 0.00 64.05 62.06 3huy n THR 3 Cb 0.30 -1.43 -0.13 0.00 -2.10 0.00 0.00 70.33 66.97 3huy n THR 3 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3huy s ASP 4 N -2.47 4.49 -0.02 3.42 -1.08 -1.26 -5.03 116.67 114.73 3huy s ASP 4 Ca 0.00 -0.29 -0.20 0.00 -0.52 0.00 0.00 52.55 51.54 3huy s ASP 4 Cb 0.00 -1.75 -0.12 0.00 -1.46 0.00 0.00 42.92 39.59 3huy s ASP 4 CO 0.00 0.06 0.84 -0.65 0.52 0.00 0.00 175.17 175.93 3huy h PRO 5 N 7.54 -0.61 -0.90 4.34 0.11 -1.98 -2.53 132.00 137.97 3huy h PRO 5 Ca -0.36 0.04 0.23 0.00 0.11 0.00 0.00 66.00 66.03 3huy h PRO 5 Cb 1.18 0.14 -0.16 0.00 0.11 0.00 0.00 31.00 32.27 3huy h PRO 5 CO 0.60 -0.36 0.06 0.82 -0.21 0.00 0.00 178.00 178.90 3huy h ILE 6 N -1.13 0.17 -0.01 4.15 5.03 -1.99 1.31 117.51 125.05 3huy h ILE 6 Ca -0.06 -0.02 -0.14 0.00 -0.12 0.00 0.00 64.86 64.51 3huy h ILE 6 Cb 0.53 0.09 -0.02 0.00 -3.03 0.00 0.00 36.82 34.39 3huy h ILE 6 CO 0.11 0.01 -0.66 0.00 -0.68 0.00 0.00 178.15 176.93 3huy h ALA 7 N 1.87 0.88 -0.26 1.87 0.00 -1.97 -2.64 119.26 119.01 3huy h ALA 7 Ca 0.54 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 3huy h ALA 7 Cb 1.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3huy h ALA 7 CO -0.80 0.81 -0.14 0.22 0.00 0.00 0.00 179.25 179.35 3huy h ASP 8 N 0.03 0.57 -0.28 0.00 3.58 0.18 -3.25 116.42 117.26 3huy h ASP 8 Ca -0.01 -0.41 -0.03 0.00 0.42 0.00 0.00 57.03 57.00 3huy h ASP 8 Cb 1.18 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.06 3huy h ASP 8 CO 0.09 0.86 0.08 -0.03 -2.88 0.00 0.00 179.24 177.36 3huy h MET 9 N 0.29 0.44 -0.28 0.28 4.05 0.38 -1.58 114.93 118.52 3huy h MET 9 Ca 0.06 -0.10 0.08 0.00 -0.28 0.00 0.00 59.70 59.46 3huy h MET 9 Cb 0.65 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.38 3huy h MET 9 CO 0.04 0.52 0.59 -0.07 0.23 0.00 0.00 176.91 178.22 3huy h LEU 10 N 0.29 0.00 0.02 3.39 3.38 -1.50 0.77 115.31 121.66 3huy h LEU 10 Ca 0.09 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.73 3huy h LEU 10 Cb 0.27 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3huy h LEU 10 CO -0.00 0.00 -1.98 0.41 0.09 0.00 0.00 178.44 176.96 3huy n THR 11 N -3.15 1.56 0.31 0.22 -1.04 -0.82 -2.25 114.28 109.11 3huy n THR 11 Ca 0.05 -0.78 0.18 0.00 -2.04 0.00 0.00 64.05 61.45 3huy n THR 11 Cb 0.71 -0.98 1.01 0.00 -1.82 0.00 0.00 70.33 69.25 3huy n THR 11 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 3huy h ARG 12 N 0.01 0.00 0.01 -2.82 2.43 0.15 0.37 114.38 114.52 3huy h ARG 12 Ca -0.40 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.44 3huy h ARG 12 Cb 2.08 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.57 3huy h ARG 12 CO 0.06 0.01 -2.05 -0.89 -1.51 0.00 0.00 179.97 175.59 3huy n ILE 13 N -3.50 1.52 0.36 1.20 5.41 -0.46 -3.17 119.36 120.72 3huy n ILE 13 Ca -0.03 -0.80 0.14 0.00 1.00 0.00 0.00 62.75 63.06 3huy n ILE 13 Cb 0.10 -0.87 0.56 0.00 -0.71 0.00 0.00 39.64 38.72 3huy n ILE 13 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3huy h ARG 14 N 0.00 0.00 0.00 0.38 2.43 -0.19 -2.04 114.38 114.96 3huy h ARG 14 Ca -0.42 0.00 -0.41 0.00 -0.81 0.00 0.00 59.98 58.34 3huy h ARG 14 Cb 2.11 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 31.59 3huy h ARG 14 CO 0.05 0.00 -2.47 0.09 -1.51 0.00 0.00 179.97 176.13 3huy n ASN 15 N -2.54 1.98 0.15 -3.80 3.02 0.96 -4.01 115.26 111.03 3huy n ASN 15 Ca 0.02 0.04 -0.16 0.00 -0.03 0.00 0.00 54.58 54.45 3huy n ASN 15 Cb 0.26 -0.55 -0.09 0.00 -0.61 0.00 0.00 39.78 38.78 3huy n ASN 15 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3huy h ALA 16 N -0.37 -1.02 -0.41 5.41 0.00 -1.50 -2.58 119.26 118.80 3huy h ALA 16 Ca -0.61 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.26 3huy h ALA 16 Cb 1.77 0.84 -0.09 0.00 0.00 0.00 0.00 17.79 20.31 3huy h ALA 16 CO -0.21 -1.12 -0.22 1.79 0.00 0.00 0.00 179.25 179.49 3huy h THR 17 N -0.77 0.38 -0.03 0.00 1.35 -1.61 -0.31 112.91 111.91 3huy h THR 17 Ca -0.02 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 65.85 3huy h THR 17 Cb 0.75 0.38 -0.00 0.00 -1.73 0.00 0.00 68.15 67.54 3huy h THR 17 CO -0.22 0.00 0.59 0.03 -0.25 0.00 0.00 175.52 175.67 3huy h ARG 18 N -0.15 0.00 0.00 4.72 -0.00 -1.60 0.49 114.38 117.85 3huy h ARG 18 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.68 3huy h ARG 18 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.42 3huy h ARG 18 CO -0.50 0.00 0.00 1.33 0.00 0.00 0.00 179.97 180.80 3huy n VAL 19 N -2.77 0.46 -1.00 2.04 0.24 -0.28 -5.10 118.33 111.91 3huy n VAL 19 Ca -0.01 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 3huy n VAL 19 Cb 0.63 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 3huy n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3huy n TYR 20 N -0.23 -2.76 0.00 6.34 4.01 0.17 -5.08 117.16 119.62 3huy n TYR 20 Ca 0.00 1.48 0.00 0.00 -0.16 0.00 0.00 57.90 59.22 3huy n TYR 20 Cb 0.15 -2.55 0.00 0.00 -0.31 0.00 0.00 39.34 36.63 3huy n TYR 20 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3huy n LYS 21 N -1.29 0.00 -0.23 -0.72 4.81 -1.26 -4.83 118.16 114.65 3huy n LYS 21 Ca 0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 3huy n LYS 21 Cb 0.08 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.14 3huy n LYS 21 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3huy n GLU 22 N 0.00 -0.17 -3.66 1.64 4.07 -1.26 -4.11 120.64 117.15 3huy n GLU 22 Ca 0.00 0.89 0.00 0.00 -0.06 0.00 0.00 57.16 57.99 3huy n GLU 22 Cb 0.00 -1.31 0.01 0.00 -0.06 0.00 0.00 31.44 30.08 3huy n GLU 22 CO 0.00 0.00 0.00 -1.13 -0.06 0.00 0.00 177.13 175.94 3huy n SER 23 N -4.82 -1.28 -3.69 4.31 3.41 -1.26 -2.30 113.62 107.99 3huy n SER 23 Ca 0.05 -1.50 -0.16 0.00 -0.26 0.00 0.00 58.87 57.00 3huy n SER 23 Cb 0.21 2.04 -0.15 0.00 -0.26 0.00 0.00 64.21 66.05 3huy n SER 23 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3huy s THR 24 N -2.07 -0.20 0.00 6.66 2.01 -1.06 -4.97 115.64 116.00 3huy s THR 24 Ca 0.24 0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.55 3huy s THR 24 Cb -0.02 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 72.22 3huy s THR 24 CO 0.02 0.13 0.00 0.47 -0.69 0.00 0.00 174.62 174.55 3huy n ASP 25 N 5.01 -1.45 0.00 3.53 9.92 -1.26 -2.70 116.55 129.61 3huy n ASP 25 Ca -0.11 -0.16 0.00 0.00 -0.53 0.00 0.00 54.79 53.99 3huy n ASP 25 Cb 0.50 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.98 3huy n ASP 25 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 3huy n VAL 26 N -2.58 0.00 -1.20 2.53 3.14 -0.92 -4.80 118.33 114.50 3huy n VAL 26 Ca 0.00 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 3huy n VAL 26 Cb 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 32.80 3huy n VAL 26 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3huy n PRO 27 N -0.06 0.03 -4.26 1.45 -0.02 -1.26 0.05 135.00 130.93 3huy n PRO 27 Ca 0.00 0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.15 3huy n PRO 27 Cb 0.00 -1.07 -0.10 0.00 -0.02 0.00 0.00 33.50 32.31 3huy n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3huy s ALA 28 N -1.99 3.29 -0.00 3.55 0.00 -1.07 -4.36 121.76 121.18 3huy s ALA 28 Ca 0.54 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.72 3huy s ALA 28 Cb -0.42 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.07 3huy s ALA 28 CO 0.69 0.41 -0.01 0.45 0.00 0.00 0.00 175.76 177.30 3huy s SER 29 N -0.31 0.14 0.37 0.00 0.15 -1.26 -4.95 113.70 107.84 3huy s SER 29 Ca 0.07 -0.02 0.09 0.00 0.70 0.00 0.00 55.95 56.79 3huy s SER 29 Cb -0.12 -0.03 0.84 0.00 -1.71 0.00 0.00 66.02 65.00 3huy s SER 29 CO 0.02 0.00 1.91 -0.09 1.20 0.00 0.00 173.24 176.28 3huy h ARG 30 N 6.23 0.64 -0.67 5.44 2.43 -1.99 0.63 114.38 127.09 3huy h ARG 30 Ca -0.27 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.85 3huy h ARG 30 Cb 1.20 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.57 3huy h ARG 30 CO 0.51 0.42 0.36 0.35 -1.51 0.00 0.00 179.97 180.11 3huy h PHE 31 N 0.66 0.92 -0.05 2.20 3.57 -2.01 -2.34 116.94 119.89 3huy h PHE 31 Ca 0.39 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.78 3huy h PHE 31 Cb 0.59 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 3huy h PHE 31 CO -0.00 0.66 -0.37 0.87 -2.23 0.00 0.00 178.31 177.23 3huy h LYS 32 N 0.92 0.10 0.00 1.11 1.57 -1.32 -2.21 116.57 116.74 3huy h LYS 32 Ca 0.24 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3huy h LYS 32 Cb 0.04 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3huy h LYS 32 CO -0.04 0.47 0.00 0.93 -0.57 0.00 0.00 179.45 180.24 3huy h GLU 33 N 0.09 0.00 0.00 3.15 5.08 -0.73 0.32 114.58 122.49 3huy h GLU 33 Ca 0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3huy h GLU 33 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 3huy h GLU 33 CO 0.05 0.00 -0.00 0.93 -1.00 0.00 0.00 179.01 178.99 3huy h GLU 34 N 0.00 -0.01 -0.89 2.33 4.39 -1.27 -1.14 114.58 117.99 3huy h GLU 34 Ca 0.00 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.73 3huy h GLU 34 Cb 0.26 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.87 3huy h GLU 34 CO 0.00 0.78 0.58 0.82 -1.16 0.00 0.00 179.01 180.03 3huy h ILE 35 N -0.99 1.18 -0.02 3.13 2.04 -1.34 -0.25 117.51 121.26 3huy h ILE 35 Ca -0.00 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 3huy h ILE 35 Cb 0.79 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 3huy h ILE 35 CO 0.00 0.21 0.01 -0.07 0.00 0.00 0.00 178.15 178.30 3huy h LEU 36 N 1.16 0.03 0.00 1.44 3.38 -0.47 0.45 115.31 121.29 3huy h LEU 36 Ca 0.35 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3huy h LEU 36 Cb -0.05 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3huy h LEU 36 CO -0.10 0.18 0.00 -1.14 0.09 0.00 0.00 178.44 177.47 3huy n ARG 37 N -5.00 0.00 -0.25 1.13 0.63 -0.43 -0.49 116.66 112.25 3huy n ARG 37 Ca -0.07 0.58 -0.05 0.00 -0.92 0.00 0.00 57.85 57.39 3huy n ARG 37 Cb 0.10 -1.34 0.00 0.00 0.45 0.00 0.00 32.46 31.67 3huy n ARG 37 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 3huy h ILE 38 N 0.00 0.10 -1.23 5.15 2.04 -1.06 1.16 117.51 123.67 3huy h ILE 38 Ca 0.00 0.00 0.36 0.00 1.00 0.00 0.00 64.86 66.22 3huy h ILE 38 Cb 0.00 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.13 3huy h ILE 38 CO 0.00 0.00 0.88 0.25 0.00 0.00 0.00 178.15 179.28 3huy h LEU 39 N -0.13 0.03 0.02 1.44 7.12 0.19 0.26 115.31 124.24 3huy h LEU 39 Ca 0.24 0.01 -0.22 0.00 0.13 0.00 0.00 57.88 58.04 3huy h LEU 39 Cb 0.56 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.67 3huy h LEU 39 CO -0.77 0.00 -1.19 0.00 -0.13 0.00 0.00 178.44 176.36 3huy h ALA 40 N 1.40 0.24 -1.06 1.25 0.00 0.36 0.47 119.26 121.92 3huy h ALA 40 Ca 0.59 -1.13 0.29 0.00 0.00 0.00 0.00 54.91 54.67 3huy h ALA 40 Cb 2.32 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 20.67 3huy h ALA 40 CO -0.03 0.68 0.73 -0.09 0.00 0.00 0.00 179.25 180.54 3huy h ARG 41 N -0.83 0.17 -0.21 0.00 2.43 0.35 1.29 114.38 117.59 3huy h ARG 41 Ca -0.31 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3huy h ARG 41 Cb 1.38 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3huy h ARG 41 CO -0.13 0.11 0.00 0.39 -1.51 0.00 0.00 179.97 178.83 3huy n GLU 42 N -4.39 1.89 -2.72 0.20 -0.58 0.61 -4.96 120.64 110.69 3huy n GLU 42 Ca 0.24 -1.33 -0.05 0.00 -0.42 0.00 0.00 57.16 55.59 3huy n GLU 42 Cb 1.02 -1.42 0.02 0.00 -0.57 0.00 0.00 31.44 30.48 3huy n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3huy n GLY 43 N 1.20 0.65 0.11 0.62 0.00 0.44 -4.97 105.19 103.26 3huy n GLY 43 Ca 0.17 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.56 3huy n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3huy n PHE 44 N -3.01 0.08 -4.69 1.61 3.72 0.14 -4.93 117.46 110.37 3huy n PHE 44 Ca 0.00 0.02 -0.24 0.00 -0.05 0.00 0.00 57.45 57.18 3huy n PHE 44 Cb 0.51 -1.01 -0.16 0.00 -0.94 0.00 0.00 39.48 37.88 3huy n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 3huy s ILE 45 N -2.51 1.23 0.15 4.37 -4.36 -1.11 -4.16 121.20 114.81 3huy s ILE 45 Ca -0.21 -0.60 -0.31 0.00 -0.26 0.00 0.00 60.65 59.27 3huy s ILE 45 Cb 0.07 -1.07 -0.08 0.00 1.25 0.00 0.00 42.46 42.64 3huy s ILE 45 CO 0.73 0.36 1.54 0.11 0.24 0.00 0.00 174.94 177.93 3huy h LYS 46 N 6.35 -0.10 -1.44 0.37 1.57 -1.37 -3.39 116.57 118.56 3huy h LYS 46 Ca -0.33 0.01 0.37 0.00 -1.87 0.00 0.00 60.65 58.83 3huy h LYS 46 Cb 1.17 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 33.39 3huy h LYS 46 CO 0.48 -0.06 0.93 0.20 -0.57 0.00 0.00 179.45 180.43 3huy s GLY 47 N -2.48 -0.38 0.15 3.86 0.00 -1.23 -4.95 107.32 102.29 3huy s GLY 47 Ca -0.13 0.64 0.06 0.00 0.00 0.00 0.00 44.72 45.29 3huy s GLY 47 CO 0.62 1.82 -0.13 -2.52 0.00 0.00 0.00 173.10 172.89 3huy s TYR 48 N -2.14 1.48 0.03 1.90 -0.85 -1.26 -1.45 117.35 115.06 3huy s TYR 48 Ca 0.19 -0.61 -0.14 0.00 -0.52 0.00 0.00 57.07 55.99 3huy s TYR 48 Cb 0.05 -0.74 0.02 0.00 0.38 0.00 0.00 41.96 41.67 3huy s TYR 48 CO -0.04 0.20 0.31 -1.83 -1.52 0.00 0.00 175.55 172.66 3huy s GLU 49 N -3.23 0.77 -0.34 -3.49 -1.05 0.52 -4.94 118.70 106.95 3huy s GLU 49 Ca 0.15 -0.42 -0.22 0.00 -0.15 0.00 0.00 54.97 54.32 3huy s GLU 49 Cb -0.02 0.34 0.00 0.00 -0.44 0.00 0.00 34.13 34.01 3huy s GLU 49 CO 0.04 -0.24 0.74 1.03 0.95 0.00 0.00 175.26 177.78 3huy s ARG 50 N -2.23 3.83 0.00 -4.83 0.52 -1.26 0.11 118.95 115.08 3huy s ARG 50 Ca -0.07 0.35 0.00 0.00 -0.52 0.00 0.00 55.73 55.49 3huy s ARG 50 Cb -0.02 -3.77 0.00 0.00 0.52 0.00 0.00 34.95 31.68 3huy s ARG 50 CO -0.01 -0.74 0.00 1.33 0.02 0.00 0.00 175.30 175.90 3huy n VAL 51 N 5.63 0.00 -3.39 3.52 0.24 0.88 -4.95 118.33 120.26 3huy n VAL 51 Ca 0.02 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.34 3huy n VAL 51 Cb 0.48 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.81 3huy n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3huy s ASP 52 N -0.24 -0.28 0.00 -1.34 2.15 -1.26 -3.99 116.67 111.72 3huy s ASP 52 Ca 0.00 0.39 0.04 0.00 0.43 0.00 0.00 52.55 53.42 3huy s ASP 52 Cb 0.00 1.26 -0.01 0.00 -0.30 0.00 0.00 42.92 43.87 3huy s ASP 52 CO 0.00 -0.06 -0.14 -0.69 -0.17 0.00 0.00 175.17 174.11 3huy s VAL 53 N 1.91 1.11 -0.28 1.11 1.01 -0.71 -4.66 120.40 119.89 3huy s VAL 53 Ca -0.03 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.24 3huy s VAL 53 Cb -0.03 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3huy s VAL 53 CO -0.15 0.23 0.00 0.47 0.00 0.00 0.00 175.10 175.65 3huy n ASP 54 N 2.51 -4.92 0.00 3.32 8.00 -1.26 0.12 116.55 124.33 3huy n ASP 54 Ca -0.15 0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.41 3huy n ASP 54 Cb 0.55 -3.16 0.00 0.00 -0.02 0.00 0.00 41.12 38.49 3huy n ASP 54 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3huy n GLY 55 N 0.66 0.51 3.29 0.44 0.00 -1.26 -5.06 105.19 103.77 3huy n GLY 55 Ca -0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 3huy n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huy s LYS 56 N -1.85 2.07 -0.12 1.61 1.02 0.33 -5.09 119.74 117.71 3huy s LYS 56 Ca 0.00 -0.90 -0.34 0.00 0.02 0.00 0.00 55.97 54.75 3huy s LYS 56 Cb 0.00 -1.98 -0.11 0.00 -0.52 0.00 0.00 37.83 35.22 3huy s LYS 56 CO 0.00 0.53 1.93 -2.30 -0.92 0.00 0.00 175.35 174.59 3huy n PRO 57 N 2.49 2.09 -4.01 -1.68 -0.02 -1.26 -1.74 135.00 130.86 3huy n PRO 57 Ca -0.16 0.75 -0.11 0.00 -2.02 0.00 0.00 63.50 61.96 3huy n PRO 57 Cb 0.51 -2.67 -0.12 0.00 -0.02 0.00 0.00 33.50 31.21 3huy n PRO 57 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3huy s TYR 58 N 4.59 0.39 -0.13 6.00 1.51 -1.26 -2.59 117.35 125.88 3huy s TYR 58 Ca 0.95 -0.44 -0.06 0.00 -1.01 0.00 0.00 57.07 56.51 3huy s TYR 58 Cb -0.68 -0.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.87 3huy s TYR 58 CO 0.51 -0.12 0.08 -0.51 -1.11 0.00 0.00 175.55 174.40 3huy s LEU 59 N -1.28 4.02 -0.28 -1.29 1.43 0.11 -0.08 118.68 121.30 3huy s LEU 59 Ca -0.11 0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 3huy s LEU 59 Cb -0.09 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.12 3huy s LEU 59 CO -0.00 0.34 0.18 -0.13 0.23 0.00 0.00 176.35 176.96 3huy s ARG 60 N -0.61 3.83 -0.40 1.70 1.81 0.30 -2.16 118.95 123.41 3huy s ARG 60 Ca 0.12 -0.40 -0.04 0.00 -1.72 0.00 0.00 55.73 53.69 3huy s ARG 60 Cb -0.12 -3.62 0.10 0.00 -0.45 0.00 0.00 34.95 30.86 3huy s ARG 60 CO 0.02 -0.22 0.20 0.08 -0.68 0.00 0.00 175.30 174.70 3huy s VAL 61 N 1.73 3.47 -0.31 3.52 1.01 -1.10 -0.35 120.40 128.36 3huy s VAL 61 Ca 0.07 -1.87 -0.29 0.00 0.00 0.00 0.00 61.98 59.88 3huy s VAL 61 Cb -0.16 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.94 3huy s VAL 61 CO 0.10 -0.61 1.16 -0.31 0.00 0.00 0.00 175.10 175.43 3huy s TYR 62 N 1.21 2.97 1.17 5.22 2.02 -0.53 -2.58 117.35 126.84 3huy s TYR 62 Ca 0.06 1.06 -0.17 0.00 -0.37 0.00 0.00 57.07 57.64 3huy s TYR 62 Cb -0.23 -3.79 0.27 0.00 -0.40 0.00 0.00 41.96 37.81 3huy s TYR 62 CO -0.03 -1.13 1.08 -0.51 -1.57 0.00 0.00 175.55 173.39 3huy s LEU 63 N 3.91 0.73 -0.05 -1.29 2.01 -0.97 -1.45 118.68 121.57 3huy s LEU 63 Ca 0.49 0.84 -0.13 0.00 0.01 0.00 0.00 54.13 55.34 3huy s LEU 63 Cb -0.14 -2.66 0.03 0.00 0.01 0.00 0.00 46.19 43.43 3huy s LEU 63 CO 0.19 -4.02 0.31 -0.75 1.01 0.00 0.00 176.35 173.09 3huy s LYS 64 N -5.20 0.57 0.12 1.70 2.20 -1.26 -3.94 119.74 113.93 3huy s LYS 64 Ca 0.69 0.03 -0.05 0.00 -0.36 0.00 0.00 55.97 56.28 3huy s LYS 64 Cb -0.13 0.26 -0.02 0.00 -1.51 0.00 0.00 37.83 36.42 3huy s LYS 64 CO 0.57 -0.13 0.15 0.71 -0.36 0.00 0.00 175.35 176.29 3huy s TYR 65 N -0.80 0.48 0.79 4.03 1.51 -1.26 -4.00 117.35 118.09 3huy s TYR 65 Ca -0.09 -0.89 -0.07 0.00 -1.01 0.00 0.00 57.07 55.01 3huy s TYR 65 Cb -0.04 -0.22 0.13 0.00 -0.11 0.00 0.00 41.96 41.72 3huy s TYR 65 CO 0.03 -0.57 1.09 0.20 -1.11 0.00 0.00 175.55 175.19 3huy s GLY 66 N -2.96 1.75 0.53 0.71 0.00 -0.24 -4.91 107.32 102.22 3huy s GLY 66 Ca 0.14 -1.39 -0.22 0.00 0.00 0.00 0.00 44.72 43.25 3huy s GLY 66 CO -0.04 -0.81 1.35 2.56 0.00 0.00 0.00 173.10 176.17 3huy s PRO 67 N -5.38 3.23 1.11 2.90 0.04 -1.26 -4.13 135.00 131.50 3huy s PRO 67 Ca 0.67 2.22 -0.14 0.00 0.04 0.00 0.00 61.00 63.79 3huy s PRO 67 Cb -0.06 -2.30 0.24 0.00 0.04 0.00 0.00 34.50 32.42 3huy s PRO 67 CO 0.47 -1.12 1.07 0.50 0.04 0.00 0.00 177.00 177.96 3huy s ARG 68 N -2.85 -0.44 0.28 4.56 3.52 -1.26 -4.06 118.95 118.69 3huy s ARG 68 Ca 0.70 0.44 -0.01 0.00 -0.13 0.00 0.00 55.73 56.73 3huy s ARG 68 Cb -0.40 -1.64 -0.02 0.00 -1.56 0.00 0.00 34.95 31.33 3huy s ARG 68 CO 0.48 -3.30 0.31 1.03 -0.81 0.00 0.00 175.30 173.01 3huy s ARG 69 N -4.93 1.60 0.25 5.12 3.00 -1.12 -4.96 118.95 117.91 3huy s ARG 69 Ca 0.67 -1.72 0.02 0.00 0.00 0.00 0.00 55.73 54.70 3huy s ARG 69 Cb -0.18 0.36 0.05 0.00 0.00 0.00 0.00 34.95 35.17 3huy s ARG 69 CO 0.59 -0.61 0.34 1.04 0.00 0.00 0.00 175.30 176.66 3huy n GLN 70 N -0.46 0.59 -1.27 3.54 1.13 -1.26 -4.46 117.38 115.19 3huy n GLN 70 Ca 0.03 -1.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.00 3huy n GLN 70 Cb 0.63 -0.17 0.00 0.00 0.11 0.00 0.00 30.24 30.81 3huy n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3huy n GLY 71 N 2.24 -3.93 2.72 1.08 0.00 -1.26 -4.62 105.19 101.42 3huy n GLY 71 Ca 0.06 -0.91 -0.33 0.00 0.00 0.00 0.00 46.02 44.84 3huy n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3huy n PRO 72 N -2.09 0.00 -3.14 1.61 -0.02 -1.26 -3.62 135.00 126.47 3huy n PRO 72 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 3huy n PRO 72 Cb 0.31 -0.85 0.01 0.00 -0.02 0.00 0.00 33.50 32.95 3huy n PRO 72 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3huy n ASP 73 N 2.22 -7.24 -0.04 2.55 4.64 -1.26 -4.89 116.55 112.53 3huy n ASP 73 Ca 0.06 -0.04 0.05 0.00 -1.38 0.00 0.00 54.79 53.48 3huy n ASP 73 Cb 0.41 -4.52 0.29 0.00 -1.04 0.00 0.00 41.12 36.25 3huy n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 3huy n PRO 74 N -1.36 1.06 -1.75 -0.67 -0.04 -1.24 -4.91 135.00 126.09 3huy n PRO 74 Ca -0.02 -0.09 -0.41 0.00 -0.04 0.00 0.00 63.50 62.94 3huy n PRO 74 Cb 0.53 -1.17 -0.01 0.00 -0.04 0.00 0.00 33.50 32.81 3huy n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3huy n ARG 75 N -0.57 2.74 -0.65 0.54 1.74 -1.26 -2.79 116.66 116.41 3huy n ARG 75 Ca 0.08 0.97 -0.31 0.00 -0.77 0.00 0.00 57.85 57.82 3huy n ARG 75 Cb 0.05 -2.76 0.18 0.00 -1.02 0.00 0.00 32.46 28.91 3huy n ARG 75 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 3huy n PRO 76 N 1.97 -1.23 -3.27 5.56 -0.04 -1.26 -4.68 135.00 132.04 3huy n PRO 76 Ca 0.08 -0.32 -0.26 0.00 -0.04 0.00 0.00 63.50 62.95 3huy n PRO 76 Cb 0.37 -2.02 -0.02 0.00 -0.04 0.00 0.00 33.50 31.80 3huy n PRO 76 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3huy s GLU 77 N -4.02 3.54 0.07 0.54 2.12 -1.26 -4.91 118.70 114.79 3huy s GLU 77 Ca 0.62 -0.15 -0.21 0.00 0.36 0.00 0.00 54.97 55.60 3huy s GLU 77 Cb -0.20 -2.62 -0.07 0.00 0.26 0.00 0.00 34.13 31.50 3huy s GLU 77 CO 0.64 0.13 0.62 -0.65 -0.54 0.00 0.00 175.26 175.46 3huy s GLN 78 N -4.08 4.30 0.13 4.30 -0.21 -1.26 -1.08 119.66 121.76 3huy s GLN 78 Ca 0.42 0.82 -0.12 0.00 0.02 0.00 0.00 55.36 56.50 3huy s GLN 78 Cb -0.10 -3.27 -0.05 0.00 1.00 0.00 0.00 33.01 30.59 3huy s GLN 78 CO 0.35 0.56 1.47 0.28 -2.12 0.00 0.00 175.29 175.83 3huy h VAL 79 N 3.65 1.28 -3.70 1.09 2.07 -1.90 -3.36 116.25 115.37 3huy h VAL 79 Ca -0.48 -1.51 -0.78 0.00 0.82 0.00 0.00 66.70 64.75 3huy h VAL 79 Cb 1.21 1.39 -0.28 0.00 -1.52 0.00 0.00 31.29 32.09 3huy h VAL 79 CO 0.65 0.50 0.14 -0.63 0.02 0.00 0.00 177.57 178.26 3huy s ILE 80 N -4.43 5.48 0.00 4.57 1.01 -1.26 -4.88 121.20 121.69 3huy s ILE 80 Ca -0.11 -2.86 0.00 0.00 0.00 0.00 0.00 60.65 57.68 3huy s ILE 80 Cb 0.11 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 38.21 3huy s ILE 80 CO 0.87 -1.06 0.69 1.41 0.00 0.00 0.00 174.94 176.85 3huy n HIS 81 N 3.48 0.00 -4.71 3.97 8.25 0.60 -4.83 115.22 121.99 3huy n HIS 81 Ca 0.17 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.29 3huy n HIS 81 Cb 0.43 -0.36 -0.12 0.00 1.12 0.00 0.00 29.99 31.07 3huy n HIS 81 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3huy s HIS 82 N -2.09 2.83 -0.13 4.41 5.65 0.19 -5.00 115.29 121.15 3huy s HIS 82 Ca 0.00 -0.06 -0.07 0.00 0.25 0.00 0.00 55.06 55.18 3huy s HIS 82 Cb 0.00 -1.66 0.05 0.00 -1.18 0.00 0.00 32.58 29.79 3huy s HIS 82 CO 0.00 0.28 0.32 -1.50 -0.65 0.00 0.00 174.74 173.19 3huy s ILE 83 N -0.81 -0.05 -0.15 0.89 2.07 -1.26 -0.90 121.20 121.00 3huy s ILE 83 Ca 0.13 0.13 -0.07 0.00 -1.41 0.00 0.00 60.65 59.43 3huy s ILE 83 Cb -0.11 -0.48 0.06 0.00 0.13 0.00 0.00 42.46 42.06 3huy s ILE 83 CO 0.02 0.05 0.34 -0.60 -1.91 0.00 0.00 174.94 172.84 3huy s ARG 84 N 1.36 0.28 0.10 3.50 3.52 -0.46 -5.01 118.95 122.24 3huy s ARG 84 Ca -0.09 0.75 -0.31 0.00 -0.13 0.00 0.00 55.73 55.95 3huy s ARG 84 Cb -0.10 0.01 -0.08 0.00 -1.56 0.00 0.00 34.95 33.22 3huy s ARG 84 CO -0.10 -0.20 1.44 0.50 -0.81 0.00 0.00 175.30 176.13 3huy s ARG 85 N 1.77 4.29 0.00 5.12 3.00 -1.26 -2.07 118.95 129.79 3huy s ARG 85 Ca -0.06 2.12 0.00 0.00 -1.00 0.00 0.00 55.73 56.79 3huy s ARG 85 Cb -0.10 -3.32 0.00 0.00 0.00 0.00 0.00 34.95 31.53 3huy s ARG 85 CO -0.11 -0.51 0.00 -0.89 0.00 0.00 0.00 175.30 173.79 3huy n ILE 86 N 4.13 0.00 -1.70 4.11 2.08 -0.86 -4.81 119.36 122.31 3huy n ILE 86 Ca 0.12 0.10 -0.35 0.00 0.56 0.00 0.00 62.75 63.18 3huy n ILE 86 Cb 0.42 -0.95 -0.03 0.00 -0.75 0.00 0.00 39.64 38.33 3huy n ILE 86 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 3huy s SER 87 N -1.56 4.64 0.59 4.38 0.15 -0.78 -4.85 113.70 116.28 3huy s SER 87 Ca 0.00 0.79 -0.02 0.00 0.70 0.00 0.00 55.95 57.42 3huy s SER 87 Cb 0.00 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.83 3huy s SER 87 CO 0.00 -2.79 0.85 -0.54 1.20 0.00 0.00 173.24 171.95 3huy s LYS 88 N 7.94 2.55 0.36 5.44 1.02 -1.26 -4.74 119.74 131.05 3huy s LYS 88 Ca 0.88 -0.51 0.18 0.00 0.02 0.00 0.00 55.97 56.55 3huy s LYS 88 Cb -0.15 -2.38 0.53 0.00 -0.52 0.00 0.00 37.83 35.31 3huy s LYS 88 CO 0.23 -0.81 1.66 -1.00 -0.92 0.00 0.00 175.35 174.51 3huy h PRO 89 N -0.11 0.00 -0.02 -1.68 0.13 -1.99 0.16 132.00 128.49 3huy h PRO 89 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3huy h PRO 89 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3huy h PRO 89 CO 0.56 0.39 0.00 0.41 -0.23 0.00 0.00 178.00 179.13 3huy n GLY 90 N 0.52 -0.65 2.53 1.56 0.00 -1.26 -4.18 105.19 103.71 3huy n GLY 90 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 3huy n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3huy n ARG 91 N -0.56 0.89 -1.08 1.61 0.63 -1.05 -5.13 116.66 111.98 3huy n ARG 91 Ca 0.20 -1.19 -0.44 0.00 -0.92 0.00 0.00 57.85 55.50 3huy n ARG 91 Cb 0.18 0.11 -0.07 0.00 0.45 0.00 0.00 32.46 33.12 3huy n ARG 91 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3huy n ARG 92 N -0.79 0.00 -3.28 -0.14 5.12 0.52 -4.26 116.66 113.83 3huy n ARG 92 Ca -0.12 0.00 -0.26 0.00 -1.93 0.00 0.00 57.85 55.54 3huy n ARG 92 Cb 0.77 -1.01 -0.02 0.00 -1.16 0.00 0.00 32.46 31.04 3huy n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3huy s VAL 93 N 2.66 5.06 -0.25 1.55 1.01 -1.26 -4.95 120.40 124.22 3huy s VAL 93 Ca 0.74 -0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 3huy s VAL 93 Cb -1.01 -3.81 0.08 0.00 0.00 0.00 0.00 36.38 31.64 3huy s VAL 93 CO 0.52 -0.50 0.59 -0.31 0.00 0.00 0.00 175.10 175.40 3huy s TYR 94 N -2.27 -0.98 0.14 5.22 2.02 -1.26 -3.96 117.35 116.25 3huy s TYR 94 Ca 0.42 1.92 0.04 0.00 -0.37 0.00 0.00 57.07 59.08 3huy s TYR 94 Cb -0.10 0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 41.97 3huy s TYR 94 CO 0.35 -0.50 -0.10 0.14 -1.57 0.00 0.00 175.55 173.86 3huy s VAL 95 N 1.88 1.12 0.52 0.71 -7.23 -0.96 -4.97 120.40 111.46 3huy s VAL 95 Ca -0.09 -1.99 0.06 0.00 -1.81 0.00 0.00 61.98 58.15 3huy s VAL 95 Cb -0.08 -1.77 0.03 0.00 0.56 0.00 0.00 36.38 35.12 3huy s VAL 95 CO -0.17 -0.72 0.40 -0.83 -0.31 0.00 0.00 175.10 173.46 3huy s GLY 96 N -3.05 2.32 0.05 2.32 0.00 -1.26 -2.96 107.32 104.74 3huy s GLY 96 Ca 0.15 -1.41 -0.12 0.00 0.00 0.00 0.00 44.72 43.34 3huy s GLY 96 CO 0.00 -1.90 1.20 -0.24 0.00 0.00 0.00 173.10 172.16 3huy h VAL 97 N 0.81 0.00 0.00 1.40 3.04 -1.89 0.14 116.25 119.76 3huy h VAL 97 Ca -0.37 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 3huy h VAL 97 Cb 1.29 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 3huy h VAL 97 CO 0.58 0.00 0.00 0.29 -1.01 0.00 0.00 177.57 177.43 3huy n LYS 98 N -3.74 0.00 -0.01 4.17 5.02 -1.26 -1.52 118.16 120.83 3huy n LYS 98 Ca -0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.28 3huy n LYS 98 Cb 0.11 -1.36 -0.01 0.00 -0.02 0.00 0.00 35.03 33.75 3huy n LYS 98 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3huy n GLU 99 N -0.65 0.29 -0.82 1.97 1.02 0.43 -5.00 120.64 117.89 3huy n GLU 99 Ca 0.00 0.01 -0.15 0.00 -0.02 0.00 0.00 57.16 57.00 3huy n GLU 99 Cb 0.00 -1.03 -0.11 0.00 -0.02 0.00 0.00 31.44 30.27 3huy n GLU 99 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3huy n ILE 100 N -2.51 0.00 -0.77 -3.67 5.41 -0.57 -4.82 119.36 112.43 3huy n ILE 100 Ca -0.03 -0.20 -0.33 0.00 1.00 0.00 0.00 62.75 63.19 3huy n ILE 100 Cb 0.53 -0.08 0.13 0.00 -0.71 0.00 0.00 39.64 39.52 3huy n ILE 100 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 3huy n PRO 101 N 3.47 -0.83 -3.86 0.38 -0.02 -1.26 -5.01 135.00 127.86 3huy n PRO 101 Ca 0.37 -0.22 -0.30 0.00 -2.02 0.00 0.00 63.50 61.33 3huy n PRO 101 Cb 0.06 -1.67 -0.14 0.00 -0.02 0.00 0.00 33.50 31.73 3huy n PRO 101 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3huy s ARG 102 N -3.33 1.54 0.18 -0.52 3.00 -1.26 -4.90 118.95 113.65 3huy s ARG 102 Ca 0.54 -2.14 -0.32 0.00 0.00 0.00 0.00 55.73 53.81 3huy s ARG 102 Cb -0.15 -2.84 -0.12 0.00 0.00 0.00 0.00 34.95 31.83 3huy s ARG 102 CO 0.68 -1.08 1.71 0.28 0.00 0.00 0.00 175.30 176.89 3huy n VAL 103 N 3.62 0.06 -2.17 3.52 0.31 -1.26 -2.15 118.33 120.27 3huy n VAL 103 Ca 0.05 -0.01 -0.18 0.00 -0.01 0.00 0.00 64.34 64.19 3huy n VAL 103 Cb 0.35 -1.91 -0.03 0.00 -0.91 0.00 0.00 33.84 31.35 3huy n VAL 103 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3huy n ARG 104 N 4.15 -1.72 0.00 5.55 3.00 -1.26 -2.11 116.66 124.26 3huy n ARG 104 Ca 0.17 0.95 0.00 0.00 -0.00 0.00 0.00 57.85 58.97 3huy n ARG 104 Cb 0.34 -5.52 0.00 0.00 0.00 0.00 0.00 32.46 27.28 3huy n ARG 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3huy n ARG 105 N -2.75 0.00 0.00 -0.14 5.12 -0.91 -2.53 116.66 115.45 3huy n ARG 105 Ca -0.21 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 3huy n ARG 105 Cb 0.65 -3.22 0.00 0.00 -1.16 0.00 0.00 32.46 28.73 3huy n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3huy n GLY 106 N -1.37 0.04 0.34 -0.13 0.00 -0.95 -5.00 105.19 98.12 3huy n GLY 106 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3huy n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3huy n LEU 107 N 0.00 0.93 -3.89 0.99 4.77 -1.05 -4.86 117.00 113.89 3huy n LEU 107 Ca 0.00 -0.47 -0.11 0.00 -0.03 0.00 0.00 56.01 55.41 3huy n LEU 107 Cb 0.00 -0.17 -0.11 0.00 -2.33 0.00 0.00 43.42 40.82 3huy n LEU 107 CO 0.00 0.21 -0.22 -0.83 -1.33 0.00 0.00 177.39 175.22 3huy s GLY 108 N -0.85 0.06 0.51 -0.72 0.00 -0.90 -4.79 107.32 100.64 3huy s GLY 108 Ca 0.09 -0.16 -0.08 0.00 0.00 0.00 0.00 44.72 44.58 3huy s GLY 108 CO 0.06 -0.27 0.86 -1.50 0.00 0.00 0.00 173.10 172.25 3huy s ILE 109 N -1.18 4.83 -0.33 0.90 2.07 -0.80 -4.13 121.20 122.56 3huy s ILE 109 Ca -0.13 0.47 0.17 0.00 -1.41 0.00 0.00 60.65 59.76 3huy s ILE 109 Cb -0.07 -3.84 0.45 0.00 0.13 0.00 0.00 42.46 39.13 3huy s ILE 109 CO 0.01 -0.88 0.94 0.00 -1.91 0.00 0.00 174.94 173.10 3huy n ALA 110 N -2.24 3.41 -0.69 1.50 0.00 -1.26 -1.22 120.51 120.00 3huy n ALA 110 Ca 0.02 -3.19 -0.25 0.00 0.00 0.00 0.00 53.44 50.02 3huy n ALA 110 Cb 0.55 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 3huy n ALA 110 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3huy n ILE 111 N -0.06 0.47 -3.35 0.00 5.41 -1.04 -3.70 119.36 117.10 3huy n ILE 111 Ca 0.11 -0.12 0.02 0.00 1.00 0.00 0.00 62.75 63.76 3huy n ILE 111 Cb 0.80 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.71 3huy n ILE 111 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 3huy s LEU 112 N 0.71 -1.22 0.44 1.39 0.05 -0.54 -2.18 118.68 117.33 3huy s LEU 112 Ca 0.37 1.11 -0.25 0.00 0.05 0.00 0.00 54.13 55.41 3huy s LEU 112 Cb -0.52 2.16 -0.08 0.00 -2.05 0.00 0.00 46.19 45.69 3huy s LEU 112 CO 0.27 -0.23 1.37 -0.55 -0.55 0.00 0.00 176.35 176.66 3huy s SER 113 N 2.86 6.00 0.28 1.48 0.15 -1.05 -3.07 113.70 120.36 3huy s SER 113 Ca 0.09 2.79 -0.06 0.00 0.70 0.00 0.00 55.95 59.47 3huy s SER 113 Cb -0.13 -2.65 -0.01 0.00 -1.71 0.00 0.00 66.02 61.52 3huy s SER 113 CO -0.20 -1.07 0.41 0.42 1.20 0.00 0.00 173.24 174.00 3huy s THR 114 N -1.24 0.00 0.32 6.45 -4.23 -0.49 -1.88 115.64 114.58 3huy s THR 114 Ca 0.60 -1.61 0.09 0.00 -1.18 0.00 0.00 61.69 59.59 3huy s THR 114 Cb -0.41 -2.46 0.09 0.00 1.34 0.00 0.00 72.50 71.06 3huy s THR 114 CO 0.52 0.00 1.16 0.77 -0.54 0.00 0.00 174.62 176.53 3huy h SER 115 N 2.25 0.00 -3.09 3.99 4.64 -1.95 -2.85 113.55 116.54 3huy h SER 115 Ca -0.29 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.43 3huy h SER 115 Cb 1.25 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.94 3huy h SER 115 CO 0.40 0.00 -0.76 -0.54 -0.87 0.00 0.00 176.83 175.06 3huy s LYS 116 N -3.44 1.44 0.25 4.77 1.02 -1.26 -5.11 119.74 117.41 3huy s LYS 116 Ca -0.01 -2.32 0.00 0.00 0.02 0.00 0.00 55.97 53.66 3huy s LYS 116 Cb 0.03 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 3huy s LYS 116 CO 0.08 -1.25 0.00 0.41 -0.92 0.00 0.00 175.35 173.68 3huy n GLY 117 N 3.03 -1.38 3.38 -3.33 0.00 -1.08 -4.37 105.19 101.43 3huy n GLY 117 Ca 0.17 -0.77 -0.46 0.00 0.00 0.00 0.00 46.02 44.96 3huy n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3huy s VAL 118 N -2.09 5.24 0.04 1.61 1.01 -1.26 -1.40 120.40 123.56 3huy s VAL 118 Ca 0.00 -2.11 -0.00 0.00 0.00 0.00 0.00 61.98 59.86 3huy s VAL 118 Cb 0.00 -4.61 0.01 0.00 0.00 0.00 0.00 36.38 31.78 3huy s VAL 118 CO 0.00 -1.25 0.06 0.18 0.00 0.00 0.00 175.10 174.10 3huy n LEU 119 N 5.07 0.00 -4.73 3.92 4.77 -1.17 -4.81 117.00 120.05 3huy n LEU 119 Ca 0.19 -0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.78 3huy n LEU 119 Cb 0.48 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.45 3huy n LEU 119 CO 0.41 -0.54 -0.21 0.42 -1.33 0.00 0.00 177.39 176.14 3huy s THR 120 N -0.48 1.73 -1.01 -5.08 -4.23 -1.26 -1.46 115.64 103.84 3huy s THR 120 Ca 0.04 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.67 3huy s THR 120 Cb -0.00 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.23 3huy s THR 120 CO 0.03 0.00 0.02 -0.90 -0.54 0.00 0.00 174.62 173.23 3huy n ASP 121 N -1.22 0.04 0.10 3.99 5.75 -1.24 0.03 116.55 124.00 3huy n ASP 121 Ca -0.09 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 3huy n ASP 121 Cb 0.66 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 3huy n ASP 121 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3huy n ARG 122 N 0.47 0.00 0.07 0.11 1.74 -1.26 -4.55 116.66 113.24 3huy n ARG 122 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 3huy n ARG 122 Cb 0.01 -0.21 0.54 0.00 -1.02 0.00 0.00 32.46 31.78 3huy n ARG 122 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3huy h GLU 123 N 0.00 0.27 0.12 5.56 5.08 -1.87 -0.08 114.58 123.66 3huy h GLU 123 Ca 0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3huy h GLU 123 Cb 0.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3huy h GLU 123 CO 0.00 0.18 -0.06 0.00 -1.00 0.00 0.00 179.01 178.13 3huy h ALA 124 N 1.82 -1.04 -0.66 3.43 0.00 -0.66 -1.51 119.26 120.65 3huy h ALA 124 Ca 0.14 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.11 3huy h ALA 124 Cb 0.20 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 17.93 3huy h ALA 124 CO -0.03 -1.03 -0.42 -0.09 0.00 0.00 0.00 179.25 177.68 3huy h ARG 125 N -0.16 -0.17 -0.28 0.00 2.43 -1.61 0.99 114.38 115.59 3huy h ARG 125 Ca -0.02 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.23 3huy h ARG 125 Cb 0.12 0.04 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 3huy h ARG 125 CO 0.03 -0.11 -0.16 -0.22 -1.51 0.00 0.00 179.97 178.00 3huy h LYS 126 N -0.18 -0.12 0.00 0.20 3.64 -1.08 0.36 116.57 119.40 3huy h LYS 126 Ca 0.21 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3huy h LYS 126 Cb 0.56 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 3huy h LYS 126 CO -0.74 -0.08 0.00 1.28 -2.27 0.00 0.00 179.45 177.64 3huy n LEU 127 N -5.32 0.63 0.00 5.20 7.99 -0.54 -4.87 117.00 120.08 3huy n LEU 127 Ca -0.00 0.70 0.00 0.00 -0.01 0.00 0.00 56.01 56.70 3huy n LEU 127 Cb 0.24 -0.67 0.00 0.00 -0.11 0.00 0.00 43.42 42.88 3huy n LEU 127 CO 0.17 -0.70 0.00 0.61 -1.51 0.00 0.00 177.39 175.96 3huy n GLY 128 N -0.46 2.31 3.78 -0.72 0.00 0.13 -5.03 105.19 105.20 3huy n GLY 128 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 3huy n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3huy s VAL 129 N -3.05 4.72 0.23 1.61 -7.23 -1.17 -4.59 120.40 110.93 3huy s VAL 129 Ca 0.00 -0.44 0.04 0.00 -1.81 0.00 0.00 61.98 59.77 3huy s VAL 129 Cb 0.00 -3.17 -0.05 0.00 0.56 0.00 0.00 36.38 33.72 3huy s VAL 129 CO 0.00 0.33 -0.01 -0.83 -0.31 0.00 0.00 175.10 174.28 3huy s GLY 130 N -1.81 1.54 0.00 2.32 0.00 -1.26 -4.35 107.32 103.76 3huy s GLY 130 Ca 0.24 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 43.20 3huy s GLY 130 CO 0.15 -1.67 0.00 0.61 0.00 0.00 0.00 173.10 172.19 3huy n GLY 131 N -0.41 4.09 3.67 0.20 0.00 -1.16 -4.63 105.19 106.95 3huy n GLY 131 Ca -0.05 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 3huy n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3huy s GLU 132 N 3.70 4.23 -0.92 1.61 2.12 -0.78 -2.28 118.70 126.38 3huy s GLU 132 Ca 0.00 1.99 -0.24 0.00 0.36 0.00 0.00 54.97 57.08 3huy s GLU 132 Cb 0.00 -3.77 0.01 0.00 0.26 0.00 0.00 34.13 30.64 3huy s GLU 132 CO 0.00 -0.71 1.60 -1.17 -0.54 0.00 0.00 175.26 174.44 3huy s LEU 133 N 3.25 3.35 0.12 2.70 0.20 -1.25 -2.54 118.68 124.51 3huy s LEU 133 Ca 0.66 -0.97 -0.24 0.00 0.69 0.00 0.00 54.13 54.27 3huy s LEU 133 Cb -0.30 -2.56 -0.04 0.00 -0.43 0.00 0.00 46.19 42.85 3huy s LEU 133 CO 0.25 -1.97 1.66 0.40 -0.29 0.00 0.00 176.35 176.41 3huy h ILE 134 N 6.83 0.56 0.00 6.68 1.08 -1.77 -2.08 117.51 128.82 3huy h ILE 134 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.54 3huy h ILE 134 Cb 1.03 0.56 0.00 0.00 -3.07 0.00 0.00 36.82 35.33 3huy h ILE 134 CO 1.33 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.79 3huy s GLU 136 N -2.00 1.41 0.10 0.00 -1.05 -0.88 -2.49 118.70 113.79 3huy s GLU 136 Ca 0.00 -0.81 -0.01 0.00 -0.15 0.00 0.00 54.97 54.00 3huy s GLU 136 Cb 0.00 -1.44 -0.04 0.00 -0.44 0.00 0.00 34.13 32.20 3huy s GLU 136 CO 0.00 0.38 0.02 0.08 0.95 0.00 0.00 175.26 176.69 3huy s VAL 137 N -0.65 0.19 0.00 1.83 1.01 -0.35 -1.36 120.40 121.07 3huy s VAL 137 Ca 0.07 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.17 3huy s VAL 137 Cb -0.08 -1.84 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3huy s VAL 137 CO 0.01 -0.68 0.00 -2.67 0.00 0.00 0.00 175.10 171.76