#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hcu n GLY 55 N 0.00 0.03 3.49 1.69 0.00 -1.26 -4.75 105.19 104.38 3hcu n GLY 55 Ca 0.00 -1.75 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 3hcu n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hcu s TYR 56 N 0.56 2.92 -1.17 1.61 1.51 -0.87 -4.88 117.35 117.03 3hcu s TYR 56 Ca 0.00 -0.26 -0.18 0.00 -1.01 0.00 0.00 57.07 55.62 3hcu s TYR 56 Cb 0.00 -3.80 0.09 0.00 -0.11 0.00 0.00 41.96 38.14 3hcu s TYR 56 CO 0.00 -1.19 1.53 0.34 -1.11 0.00 0.00 175.55 175.12 3hcu s ASP 57 N 2.75 6.78 0.13 2.29 2.15 -1.26 -3.36 116.67 126.14 3hcu s ASP 57 Ca 0.23 -2.28 -0.11 0.00 0.43 0.00 0.00 52.55 50.82 3hcu s ASP 57 Cb -0.16 -2.52 0.01 0.00 -0.30 0.00 0.00 42.92 39.95 3hcu s ASP 57 CO 0.16 -1.15 0.28 0.68 -0.17 0.00 0.00 175.17 174.97 3hcu s VAL 58 N 3.64 0.10 -0.14 1.11 -7.23 -1.26 -4.87 120.40 111.75 3hcu s VAL 58 Ca 0.47 -1.09 -0.25 0.00 -1.81 0.00 0.00 61.98 59.30 3hcu s VAL 58 Cb 0.00 -1.47 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 3hcu s VAL 58 CO -0.00 -0.45 0.80 -0.70 -0.31 0.00 0.00 175.10 174.44 3hcu s GLU 59 N -3.88 4.34 -0.27 4.82 2.12 -1.26 -4.98 118.70 119.58 3hcu s GLU 59 Ca 0.08 0.99 -0.10 0.00 0.36 0.00 0.00 54.97 56.30 3hcu s GLU 59 Cb 0.03 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.84 3hcu s GLU 59 CO -0.07 -0.23 0.16 -0.06 -0.54 0.00 0.00 175.26 174.52 3hcu s PHE 60 N 1.79 3.19 -0.18 5.30 0.08 -1.26 -2.08 117.98 124.82 3hcu s PHE 60 Ca 0.38 -0.01 -0.01 0.00 0.12 0.00 0.00 56.93 57.41 3hcu s PHE 60 Cb -0.17 -2.35 0.05 0.00 -0.57 0.00 0.00 43.02 39.98 3hcu s PHE 60 CO 0.14 -0.21 -0.04 0.34 -0.10 0.00 0.00 175.22 175.35 3hcu s ASP 61 N 1.73 2.96 0.84 1.36 2.15 -0.98 -1.30 116.67 123.43 3hcu s ASP 61 Ca 0.07 -0.75 -0.15 0.00 0.43 0.00 0.00 52.55 52.15 3hcu s ASP 61 Cb -0.16 -0.90 -0.02 0.00 -0.30 0.00 0.00 42.92 41.54 3hcu s ASP 61 CO 0.09 -0.21 0.32 -2.65 -0.17 0.00 0.00 175.17 172.56 3hcu n PRO 62 N 4.87 0.01 -1.00 4.34 -0.02 -1.26 -4.52 135.00 137.42 3hcu n PRO 62 Ca -0.11 0.05 -0.34 0.00 -2.02 0.00 0.00 63.50 61.08 3hcu n PRO 62 Cb 0.47 -1.73 0.12 0.00 -0.02 0.00 0.00 33.50 32.34 3hcu n PRO 62 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hcu n PRO 63 N -0.75 -0.00 -2.04 0.52 -0.02 -0.42 -4.91 135.00 127.38 3hcu n PRO 63 Ca 0.07 0.06 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 3hcu n PRO 63 Cb 0.52 -2.15 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 3hcu n PRO 63 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hcu s LEU 64 N -3.42 4.40 0.17 2.45 2.96 -1.25 -4.96 118.68 119.03 3hcu s LEU 64 Ca 0.66 2.73 -0.30 0.00 -0.22 0.00 0.00 54.13 57.00 3hcu s LEU 64 Cb -0.27 -3.64 -0.07 0.00 0.50 0.00 0.00 46.19 42.70 3hcu s LEU 64 CO 0.58 -0.64 0.95 -1.61 -1.32 0.00 0.00 176.35 174.31 3hcu s GLU 65 N -1.30 4.77 0.65 1.98 2.02 -1.26 -4.93 118.70 120.63 3hcu s GLU 65 Ca 0.53 1.47 0.33 0.00 0.02 0.00 0.00 54.97 57.32 3hcu s GLU 65 Cb -0.41 -3.33 1.78 0.00 0.10 0.00 0.00 34.13 32.26 3hcu s GLU 65 CO 0.51 0.35 2.03 0.66 0.02 0.00 0.00 175.26 178.82 3hcu h SER 66 N 4.92 0.00 0.29 -0.19 4.64 -1.96 -0.80 113.55 120.45 3hcu h SER 66 Ca -0.44 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.80 3hcu h SER 66 Cb 1.21 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 3hcu h SER 66 CO 0.70 0.00 -0.34 0.07 -0.87 0.00 0.00 176.83 176.39 3hcu h LYS 67 N 0.00 0.07 -0.35 4.77 2.10 -2.03 -2.62 116.57 118.50 3hcu h LYS 67 Ca 0.03 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hcu h LYS 67 Cb 0.56 -0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 3hcu h LYS 67 CO -0.00 0.41 0.00 0.66 -2.00 0.00 0.00 179.45 178.52 3hcu n TYR 68 N -4.12 0.46 -3.49 0.07 4.01 -0.31 -4.90 117.16 108.89 3hcu n TYR 68 Ca -0.02 -0.23 -0.38 0.00 -0.16 0.00 0.00 57.90 57.11 3hcu n TYR 68 Cb 0.40 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.36 3hcu n TYR 68 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3hcu s GLU 69 N -1.54 3.96 -0.13 -0.72 2.12 -0.99 -0.84 118.70 120.56 3hcu s GLU 69 Ca 0.29 0.39 -0.29 0.00 0.36 0.00 0.00 54.97 55.73 3hcu s GLU 69 Cb 0.16 -3.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 3hcu s GLU 69 CO 0.21 0.63 0.98 0.00 -0.54 0.00 0.00 175.26 176.54 3hcu h PRO 71 N 7.18 0.16 0.07 0.00 0.11 -1.91 0.38 132.00 137.99 3hcu h PRO 71 Ca -0.29 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.54 3hcu h PRO 71 Cb 1.13 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3hcu h PRO 71 CO 0.87 0.11 -1.34 0.82 -0.21 0.00 0.00 178.00 178.25 3hcu h ILE 72 N 0.16 1.35 -0.00 4.15 2.04 -1.92 -3.39 117.51 119.90 3hcu h ILE 72 Ca 0.04 -3.02 0.00 0.00 1.00 0.00 0.00 64.86 62.88 3hcu h ILE 72 Cb 0.00 2.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.86 3hcu h ILE 72 CO -0.01 0.84 -0.01 0.00 0.00 0.00 0.00 178.15 178.97 3hcu n LEU 74 N -0.72 -2.28 -4.57 0.00 4.32 0.13 -4.89 117.00 109.00 3hcu n LEU 74 Ca 0.00 -0.14 -0.26 0.00 -0.02 0.00 0.00 56.01 55.59 3hcu n LEU 74 Cb 0.01 -2.96 -0.11 0.00 -1.62 0.00 0.00 43.42 38.74 3hcu n LEU 74 CO 0.01 -0.02 -0.30 -0.04 -1.22 0.00 0.00 177.39 175.81 3hcu s MET 75 N -5.33 1.86 0.31 3.23 -1.94 -1.26 -4.81 119.30 111.37 3hcu s MET 75 Ca 0.13 -2.03 -0.29 0.00 -1.71 0.00 0.00 55.69 51.79 3hcu s MET 75 Cb -0.06 -1.48 -0.11 0.00 2.01 0.00 0.00 34.83 35.20 3hcu s MET 75 CO 0.16 -0.04 1.50 0.00 -0.01 0.00 0.00 175.02 176.63 3hcu s ALA 76 N -2.82 3.64 -0.11 3.03 0.00 -1.21 -1.18 121.76 123.11 3hcu s ALA 76 Ca 0.35 1.49 -0.37 0.00 0.00 0.00 0.00 51.96 53.43 3hcu s ALA 76 Cb 0.08 -3.60 -0.14 0.00 0.00 0.00 0.00 23.12 19.46 3hcu s ALA 76 CO 0.17 -0.92 1.72 1.28 0.00 0.00 0.00 175.76 178.00 3hcu n LEU 77 N 1.53 2.74 -4.45 0.00 4.77 -0.02 -2.05 117.00 119.52 3hcu n LEU 77 Ca 0.05 1.05 -0.39 0.00 -0.03 0.00 0.00 56.01 56.69 3hcu n LEU 77 Cb 0.39 -1.26 -0.12 0.00 -2.33 0.00 0.00 43.42 40.10 3hcu n LEU 77 CO 0.63 -0.37 -0.20 -0.60 -1.33 0.00 0.00 177.39 175.52 3hcu s ARG 78 N 2.98 3.38 -0.87 3.23 3.52 -1.26 -4.36 118.95 125.57 3hcu s ARG 78 Ca 0.92 -0.69 -0.04 0.00 -0.13 0.00 0.00 55.73 55.79 3hcu s ARG 78 Cb -0.87 -3.58 -0.04 0.00 -1.56 0.00 0.00 34.95 28.89 3hcu s ARG 78 CO 0.55 -0.40 0.75 -1.91 -0.81 0.00 0.00 175.30 173.47 3hcu n GLU 79 N 4.99 -2.59 -1.60 5.12 4.07 -1.26 -2.27 120.64 127.11 3hcu n GLU 79 Ca -0.14 0.69 -0.48 0.00 -0.06 0.00 0.00 57.16 57.18 3hcu n GLU 79 Cb 0.49 -5.02 -0.04 0.00 -0.06 0.00 0.00 31.44 26.81 3hcu n GLU 79 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hcu n ALA 80 N -3.02 -0.41 -2.65 4.31 0.00 -1.26 -1.65 120.51 115.82 3hcu n ALA 80 Ca -0.10 0.45 -0.12 0.00 0.00 0.00 0.00 53.44 53.68 3hcu n ALA 80 Cb 0.60 -2.07 -0.11 0.00 0.00 0.00 0.00 19.45 17.87 3hcu n ALA 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hcu s VAL 81 N -0.19 0.52 0.02 0.00 -7.23 -1.08 0.02 120.40 112.46 3hcu s VAL 81 Ca 0.72 -1.33 0.08 0.00 -1.81 0.00 0.00 61.98 59.64 3hcu s VAL 81 Cb -0.81 -0.90 -0.02 0.00 0.56 0.00 0.00 36.38 35.20 3hcu s VAL 81 CO 0.52 -0.55 -0.22 -1.58 -0.31 0.00 0.00 175.10 172.95 3hcu s GLN 82 N -2.28 1.64 0.38 4.82 0.74 0.19 -2.52 119.66 122.64 3hcu s GLN 82 Ca -0.04 -0.92 -0.04 0.00 0.05 0.00 0.00 55.36 54.41 3hcu s GLN 82 Cb -0.05 -1.70 -0.04 0.00 1.10 0.00 0.00 33.01 32.32 3hcu s GLN 82 CO -0.02 0.45 0.65 0.95 -0.55 0.00 0.00 175.29 176.77 3hcu s THR 83 N -0.69 4.99 0.36 -0.34 -4.23 0.06 -0.84 115.64 114.95 3hcu s THR 83 Ca 0.09 -0.02 0.13 0.00 -1.18 0.00 0.00 61.69 60.71 3hcu s THR 83 Cb -0.09 -3.82 0.35 0.00 1.34 0.00 0.00 72.50 70.28 3hcu s THR 83 CO 0.01 -0.60 1.80 -0.65 -0.54 0.00 0.00 174.62 174.64 3hcu h PRO 84 N 0.83 0.55 0.00 3.99 0.11 -1.91 0.63 132.00 136.21 3hcu h PRO 84 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3hcu h PRO 84 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3hcu h PRO 84 CO 0.63 0.36 0.00 0.00 -0.21 0.00 0.00 178.00 178.78 3hcu n GLY 86 N 0.35 0.55 3.84 0.00 0.00 0.22 -5.07 105.19 105.09 3hcu n GLY 86 Ca 0.12 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.34 3hcu n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hcu s HIS 87 N -2.00 3.32 0.02 1.61 3.76 -1.26 -4.82 115.29 115.93 3hcu s HIS 87 Ca 0.00 0.12 0.04 0.00 -0.15 0.00 0.00 55.06 55.07 3hcu s HIS 87 Cb 0.00 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 3hcu s HIS 87 CO 0.00 0.54 -0.06 1.03 -0.85 0.00 0.00 174.74 175.40 3hcu s ARG 88 N -2.64 2.50 0.29 1.40 0.52 -1.26 -0.76 118.95 119.00 3hcu s ARG 88 Ca 0.32 -0.77 -0.03 0.00 -0.52 0.00 0.00 55.73 54.73 3hcu s ARG 88 Cb -0.12 -2.48 -0.01 0.00 0.52 0.00 0.00 34.95 32.86 3hcu s ARG 88 CO 0.25 0.58 0.38 -0.06 0.02 0.00 0.00 175.30 176.47 3hcu s PHE 89 N -1.05 1.02 0.08 -0.53 0.40 -1.05 -4.42 117.98 112.43 3hcu s PHE 89 Ca 0.18 -1.24 -0.27 0.00 -0.60 0.00 0.00 56.93 55.01 3hcu s PHE 89 Cb -0.11 -0.20 -0.06 0.00 0.51 0.00 0.00 43.02 43.16 3hcu s PHE 89 CO 0.09 -0.97 0.83 0.00 0.70 0.00 0.00 175.22 175.87 3hcu n LYS 91 N 2.63 -0.07 0.22 0.00 3.00 -0.66 0.35 118.16 123.63 3hcu n LYS 91 Ca -0.01 1.41 0.11 0.00 -0.00 0.00 0.00 58.31 59.82 3hcu n LYS 91 Cb 0.50 -2.36 0.33 0.00 0.00 0.00 0.00 35.03 33.49 3hcu n LYS 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3hcu h ALA 92 N 1.95 0.95 0.24 3.14 0.00 -1.86 -3.22 119.26 120.46 3hcu h ALA 92 Ca 0.69 -0.12 -0.34 0.00 0.00 0.00 0.00 54.91 55.15 3hcu h ALA 92 Cb 1.64 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 19.44 3hcu h ALA 92 CO -0.85 0.16 -1.52 0.00 0.00 0.00 0.00 179.25 177.04 3hcu h ILE 94 N 0.11 0.42 -0.23 0.00 6.09 -1.60 -0.84 117.51 121.46 3hcu h ILE 94 Ca -0.28 -1.21 -0.17 0.00 -1.37 0.00 0.00 64.86 61.83 3hcu h ILE 94 Cb 2.13 1.90 0.00 0.00 0.47 0.00 0.00 36.82 41.32 3hcu h ILE 94 CO 0.25 0.20 -0.52 0.40 -3.07 0.00 0.00 178.15 175.40 3hcu h ILE 95 N 0.00 1.30 -0.00 2.19 1.08 -1.65 -0.26 117.51 120.17 3hcu h ILE 95 Ca -0.00 -1.73 -0.06 0.00 -0.39 0.00 0.00 64.86 62.68 3hcu h ILE 95 Cb 0.88 1.78 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 3hcu h ILE 95 CO 0.03 0.55 -0.30 0.50 -0.69 0.00 0.00 178.15 178.24 3hcu h LYS 96 N 0.50 0.00 0.10 2.37 3.64 -1.24 0.21 116.57 122.15 3hcu h LYS 96 Ca 0.00 -0.00 -0.27 0.00 -1.27 0.00 0.00 60.65 59.11 3hcu h LYS 96 Cb 1.13 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 3hcu h LYS 96 CO 0.11 0.30 -1.25 1.03 -2.27 0.00 0.00 179.45 177.38 3hcu h SER 97 N 0.00 0.32 -0.26 4.20 0.87 -1.03 -3.07 113.55 114.58 3hcu h SER 97 Ca -0.00 -0.36 -0.19 0.00 -1.23 0.00 0.00 61.79 60.01 3hcu h SER 97 Cb 0.53 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 3hcu h SER 97 CO 0.04 1.29 -0.57 0.40 -0.53 0.00 0.00 176.83 177.45 3hcu h ILE 98 N 0.06 1.28 0.00 2.23 2.04 -0.64 -1.69 117.51 120.78 3hcu h ILE 98 Ca -0.13 -1.76 -0.06 0.00 1.00 0.00 0.00 64.86 63.91 3hcu h ILE 98 Cb 1.94 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.72 3hcu h ILE 98 CO 0.18 0.57 -0.29 0.03 0.00 0.00 0.00 178.15 178.64 3hcu h ARG 99 N 0.62 0.00 -0.73 2.37 3.08 -1.06 -3.26 114.38 115.40 3hcu h ARG 99 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.73 3hcu h ARG 99 Cb 1.19 0.00 -0.27 0.00 0.08 0.00 0.00 29.97 30.97 3hcu h ARG 99 CO 0.13 0.29 -0.79 -0.40 -1.07 0.00 0.00 179.97 178.13 3hcu n ASP 100 N -3.46 -0.54 0.00 7.04 5.75 -1.16 -4.82 116.55 119.37 3hcu n ASP 100 Ca -0.00 -2.97 0.00 0.00 -0.01 0.00 0.00 54.79 51.81 3hcu n ASP 100 Cb 0.46 0.48 0.00 0.00 -1.03 0.00 0.00 41.12 41.03 3hcu n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hcu n ALA 101 N -0.01 0.00 0.00 2.12 0.00 -0.66 -4.90 120.51 117.06 3hcu n ALA 101 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 3hcu n ALA 101 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.21 3hcu n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hcu n GLY 102 N 0.00 3.29 2.55 0.00 0.00 -1.06 -4.82 105.19 105.14 3hcu n GLY 102 Ca 0.00 -1.95 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 3hcu n GLY 102 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hcu n HIS 103 N -1.11 2.24 -4.21 1.61 -0.00 -1.26 -3.77 115.22 108.71 3hcu n HIS 103 Ca 0.00 -2.37 -0.15 0.00 -0.00 0.00 0.00 57.72 55.20 3hcu n HIS 103 Cb 0.00 -1.51 -0.11 0.00 -0.00 0.00 0.00 29.99 28.38 3hcu n HIS 103 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.34 174.75 3hcu s LYS 104 N -2.05 0.95 -0.03 -0.41 -2.85 -1.26 -0.07 119.74 114.01 3hcu s LYS 104 Ca 0.54 -1.26 -0.30 0.00 -1.00 0.00 0.00 55.97 53.95 3hcu s LYS 104 Cb 0.30 -0.64 -0.03 0.00 -2.06 0.00 0.00 37.83 35.40 3hcu s LYS 104 CO -0.19 0.10 1.01 0.00 0.10 0.00 0.00 175.35 176.37 3hcu h PRO 106 N 6.92 0.00 0.00 0.00 0.13 -1.95 0.36 132.00 137.46 3hcu h PRO 106 Ca -0.37 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.72 3hcu h PRO 106 Cb 1.19 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.32 3hcu h PRO 106 CO 0.79 0.00 -0.16 0.28 -0.23 0.00 0.00 178.00 178.68 3hcu h VAL 107 N 0.00 0.41 0.00 1.56 2.07 -1.97 -3.38 116.25 114.93 3hcu h VAL 107 Ca 0.03 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3hcu h VAL 107 Cb 0.15 1.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3hcu h VAL 107 CO -0.00 0.16 -0.05 -0.90 0.02 0.00 0.00 177.57 176.79 3hcu n ASP 108 N -3.33 0.00 -0.97 0.57 3.85 -0.95 -5.01 116.55 110.71 3hcu n ASP 108 Ca 0.00 -1.10 -0.12 0.00 -0.71 0.00 0.00 54.79 52.86 3hcu n ASP 108 Cb 0.39 -0.02 -0.05 0.00 -1.35 0.00 0.00 41.12 40.09 3hcu n ASP 108 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 3hcu n ASN 109 N 0.00 -5.16 -4.75 -1.12 5.03 0.12 -4.93 115.26 104.44 3hcu n ASN 109 Ca 0.00 0.29 -0.40 0.00 0.87 0.00 0.00 54.58 55.34 3hcu n ASN 109 Cb 0.52 -3.99 -0.05 0.00 -1.02 0.00 0.00 39.78 35.24 3hcu n ASN 109 CO 0.00 0.00 0.00 -0.70 -1.83 0.00 0.00 177.26 174.73 3hcu s GLU 110 N -2.93 4.76 0.16 3.52 2.12 -1.25 -4.60 118.70 120.47 3hcu s GLU 110 Ca 0.00 1.63 -0.33 0.00 0.36 0.00 0.00 54.97 56.62 3hcu s GLU 110 Cb 0.00 -3.24 -0.16 0.00 0.26 0.00 0.00 34.13 30.99 3hcu s GLU 110 CO 0.00 0.37 1.22 -0.89 -0.54 0.00 0.00 175.26 175.43 3hcu n ILE 111 N 1.40 0.71 0.00 -3.70 2.08 -1.26 0.36 119.36 118.95 3hcu n ILE 111 Ca -0.01 -0.18 -0.00 0.00 0.56 0.00 0.00 62.75 63.12 3hcu n ILE 111 Cb 0.46 -0.89 -0.00 0.00 -0.75 0.00 0.00 39.64 38.46 3hcu n ILE 111 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3hcu n LEU 112 N 2.15 0.19 -0.31 1.39 7.94 0.90 -4.66 117.00 124.59 3hcu n LEU 112 Ca 0.15 0.03 0.00 0.00 -1.11 0.00 0.00 56.01 55.08 3hcu n LEU 112 Cb 0.24 -0.16 0.00 0.00 0.53 0.00 0.00 43.42 44.03 3hcu n LEU 112 CO 0.61 -0.52 -0.07 -0.11 -1.11 0.00 0.00 177.39 176.19 3hcu n LEU 113 N -2.68 -2.67 0.28 -1.96 0.00 -1.25 -4.61 117.00 104.11 3hcu n LEU 113 Ca -0.00 0.49 0.12 0.00 0.00 0.00 0.00 56.01 56.62 3hcu n LEU 113 Cb 0.02 0.28 0.80 0.00 0.00 0.00 0.00 43.42 44.51 3hcu n LEU 113 CO 0.01 -0.11 1.09 -0.08 0.00 0.00 0.00 177.39 178.30 3hcu h GLU 114 N 0.47 0.00 -0.68 1.96 4.81 -1.96 -2.71 114.58 116.46 3hcu h GLU 114 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3hcu h GLU 114 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 3hcu h GLU 114 CO 0.00 0.01 0.00 0.27 -0.73 0.00 0.00 179.01 178.56 3hcu n ASN 115 N -4.10 1.79 -2.15 1.04 6.94 -1.26 -3.80 115.26 113.71 3hcu n ASN 115 Ca -0.03 -2.16 -0.18 0.00 -0.02 0.00 0.00 54.58 52.19 3hcu n ASN 115 Cb 0.10 -0.42 0.03 0.00 -2.36 0.00 0.00 39.78 37.13 3hcu n ASN 115 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hcu n GLN 116 N 0.11 3.14 -3.78 -3.83 6.02 -1.02 -4.96 117.38 113.06 3hcu n GLN 116 Ca 0.06 -3.99 -0.37 0.00 -0.01 0.00 0.00 57.00 52.69 3hcu n GLN 116 Cb 0.38 -2.10 -0.12 0.00 1.02 0.00 0.00 30.24 29.42 3hcu n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hcu s LEU 117 N -3.61 4.70 -0.03 1.08 1.43 -1.25 -3.79 118.68 117.21 3hcu s LEU 117 Ca 0.45 -1.57 -0.21 0.00 -1.03 0.00 0.00 54.13 51.77 3hcu s LEU 117 Cb 0.39 -1.83 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 3hcu s LEU 117 CO 0.02 -0.43 0.62 -0.36 0.23 0.00 0.00 176.35 176.43 3hcu s PHE 118 N 1.27 3.64 0.15 0.29 0.40 -0.02 -4.79 117.98 118.92 3hcu s PHE 118 Ca 0.02 1.20 -0.32 0.00 -0.60 0.00 0.00 56.93 57.23 3hcu s PHE 118 Cb -0.21 -2.67 -0.11 0.00 0.51 0.00 0.00 43.02 40.54 3hcu s PHE 118 CO -0.01 0.26 1.80 -2.30 0.70 0.00 0.00 175.22 175.67 3hcu n PRO 119 N 3.09 2.78 -3.03 0.24 -0.02 -1.26 0.55 135.00 137.35 3hcu n PRO 119 Ca -0.05 1.01 -0.44 0.00 -2.02 0.00 0.00 63.50 61.99 3hcu n PRO 119 Cb 0.51 -2.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 3hcu n PRO 119 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3hcu n ASP 120 N 5.06 5.39 0.27 2.55 -0.08 0.10 -4.78 116.55 125.06 3hcu n ASP 120 Ca 0.17 -3.04 0.10 0.00 -1.51 0.00 0.00 54.79 50.52 3hcu n ASP 120 Cb 0.36 -1.48 0.71 0.00 2.34 0.00 0.00 41.12 43.06 3hcu n ASP 120 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3hcu h ASN 121 N 6.74 0.00 -0.13 1.67 2.35 -1.89 -0.28 115.58 124.04 3hcu h ASN 121 Ca 0.27 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.92 3hcu h ASN 121 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3hcu h ASN 121 CO 1.21 0.01 -0.30 -0.26 -1.65 0.00 0.00 177.43 176.44 3hcu h PHE 122 N 0.00 0.55 -0.50 1.19 -1.00 -1.97 -2.47 116.94 112.74 3hcu h PHE 122 Ca -0.00 -0.21 -0.05 0.00 2.81 0.00 0.00 57.97 60.53 3hcu h PHE 122 Cb 0.02 -0.10 -0.02 0.00 3.61 0.00 0.00 35.95 39.46 3hcu h PHE 122 CO 0.00 0.92 0.14 0.00 -1.61 0.00 0.00 178.31 177.76 3hcu h ALA 123 N 0.53 0.66 -0.66 2.45 0.00 -1.87 -1.97 119.26 118.41 3hcu h ALA 123 Ca 0.00 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.72 3hcu h ALA 123 Cb 0.90 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3hcu h ALA 123 CO 0.07 0.34 0.43 -0.22 0.00 0.00 0.00 179.25 179.87 3hcu h LYS 124 N 0.69 0.87 -0.12 0.00 3.64 -1.11 -1.06 116.57 119.48 3hcu h LYS 124 Ca 0.16 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3hcu h LYS 124 Cb 0.31 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3hcu h LYS 124 CO -0.00 0.58 0.04 -0.09 -2.27 0.00 0.00 179.45 177.71 3hcu h ARG 125 N 0.89 0.18 0.00 1.90 2.43 -1.25 -2.60 114.38 115.93 3hcu h ARG 125 Ca 0.24 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 3hcu h ARG 125 Cb -0.10 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.42 3hcu h ARG 125 CO -0.05 0.29 -0.27 1.05 -1.51 0.00 0.00 179.97 179.48 3hcu h GLU 126 N 0.03 0.00 -0.11 0.20 4.11 -1.26 -3.05 114.58 114.50 3hcu h GLU 126 Ca 0.04 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 59.28 3hcu h GLU 126 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3hcu h GLU 126 CO -0.00 0.27 -0.72 0.82 0.07 0.00 0.00 179.01 179.45 3hcu h ILE 127 N 0.00 1.34 0.00 -1.06 2.04 -1.18 -3.04 117.51 115.61 3hcu h ILE 127 Ca -0.00 -2.05 0.00 0.00 1.00 0.00 0.00 64.86 63.81 3hcu h ILE 127 Cb 1.09 2.03 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 3hcu h ILE 127 CO 0.04 0.63 0.00 0.18 0.00 0.00 0.00 178.15 178.99 3hcu n LEU 128 N -3.88 0.35 -0.92 1.44 4.77 -0.98 -2.35 117.00 115.42 3hcu n LEU 128 Ca -0.05 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.61 3hcu n LEU 128 Cb 0.71 -0.48 0.19 0.00 -2.33 0.00 0.00 43.42 41.51 3hcu n LEU 128 CO 0.49 -0.24 0.68 -1.20 -1.33 0.00 0.00 177.39 175.79 3hcu n SER 129 N -1.86 2.85 -4.81 -1.43 7.64 -1.15 0.03 113.62 114.89 3hcu n SER 129 Ca 0.05 -1.92 -0.34 0.00 1.01 0.00 0.00 58.87 57.66 3hcu n SER 129 Cb 0.29 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 3hcu n SER 129 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hcu s LEU 130 N -1.88 3.97 0.03 -3.43 1.43 -0.99 -4.72 118.68 113.08 3hcu s LEU 130 Ca 0.32 1.81 -0.30 0.00 -1.03 0.00 0.00 54.13 54.93 3hcu s LEU 130 Cb 0.21 -4.46 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 3hcu s LEU 130 CO 0.31 -0.48 0.96 -0.04 0.23 0.00 0.00 176.35 177.33 3hcu s MET 131 N -3.03 4.59 0.28 1.70 -1.94 -1.26 0.46 119.30 120.11 3hcu s MET 131 Ca 0.62 1.40 0.02 0.00 -1.71 0.00 0.00 55.69 56.02 3hcu s MET 131 Cb -0.13 -3.43 -0.04 0.00 2.01 0.00 0.00 34.83 33.23 3hcu s MET 131 CO 0.18 0.04 0.13 0.54 -0.01 0.00 0.00 175.02 175.89 3hcu s VAL 132 N 0.69 0.41 0.11 -6.03 0.11 0.21 -2.31 120.40 113.58 3hcu s VAL 132 Ca 0.50 -2.00 0.09 0.00 -2.93 0.00 0.00 61.98 57.63 3hcu s VAL 132 Cb -0.22 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.04 3hcu s VAL 132 CO 0.28 0.00 -0.18 -0.75 -3.33 0.00 0.00 175.10 171.12 3hcu s LYS 133 N -3.92 1.82 0.20 1.54 2.20 -0.88 -1.84 119.74 118.85 3hcu s LYS 133 Ca 0.36 -1.16 -0.32 0.00 -0.36 0.00 0.00 55.97 54.50 3hcu s LYS 133 Cb 0.06 -2.12 -0.12 0.00 -1.51 0.00 0.00 37.83 34.14 3hcu s LYS 133 CO 0.16 0.49 1.74 0.00 -0.36 0.00 0.00 175.35 177.37 3hcu n PRO 135 N 4.16 1.99 -0.48 0.00 -0.04 -1.26 -4.25 135.00 135.13 3hcu n PRO 135 Ca 0.16 -1.53 0.06 0.00 -0.04 0.00 0.00 63.50 62.16 3hcu n PRO 135 Cb 0.35 -1.67 0.25 0.00 -0.04 0.00 0.00 33.50 32.39 3hcu n PRO 135 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hcu n ASN 136 N -0.15 3.63 -2.27 3.54 3.02 -1.26 -5.02 115.26 116.76 3hcu n ASN 136 Ca 0.26 -2.40 -0.00 0.00 -0.03 0.00 0.00 54.58 52.41 3hcu n ASN 136 Cb 0.99 -0.52 -0.00 0.00 -0.61 0.00 0.00 39.78 39.64 3hcu n ASN 136 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3hcu n GLU 137 N 0.62 -0.64 0.00 3.52 2.13 -1.26 -4.32 120.64 120.69 3hcu n GLU 137 Ca 0.18 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.53 3hcu n GLU 137 Cb 0.72 -0.87 0.00 0.00 0.27 0.00 0.00 31.44 31.56 3hcu n GLU 137 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hcu n GLY 138 N 2.11 3.27 3.76 8.31 0.00 -1.26 -5.01 105.19 116.37 3hcu n GLY 138 Ca -0.01 -1.02 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 3hcu n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hcu n LEU 140 N -1.10 2.54 -4.82 0.00 4.77 -1.26 -4.75 117.00 112.39 3hcu n LEU 140 Ca 0.11 -3.59 -0.36 0.00 -0.03 0.00 0.00 56.01 52.13 3hcu n LEU 140 Cb 0.48 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3hcu n LEU 140 CO 0.47 1.28 0.36 -1.00 -1.33 0.00 0.00 177.39 177.17 3hcu s HIS 141 N -2.65 3.68 -0.01 -1.77 3.76 -1.26 -4.96 115.29 112.08 3hcu s HIS 141 Ca 0.38 1.31 0.01 0.00 -0.15 0.00 0.00 55.06 56.61 3hcu s HIS 141 Cb 0.38 -2.55 0.00 0.00 1.11 0.00 0.00 32.58 31.52 3hcu s HIS 141 CO -0.08 0.41 -0.03 -1.59 -0.85 0.00 0.00 174.74 172.60 3hcu s LYS 142 N -1.79 0.32 0.35 1.40 -2.85 -1.26 -0.74 119.74 115.16 3hcu s LYS 142 Ca 0.39 -0.08 -0.17 0.00 -1.00 0.00 0.00 55.97 55.11 3hcu s LYS 142 Cb -0.17 -0.35 0.06 0.00 -2.06 0.00 0.00 37.83 35.31 3hcu s LYS 142 CO 0.21 0.03 0.83 0.00 0.10 0.00 0.00 175.35 176.51 3hcu s MET 143 N 0.19 2.07 0.19 1.78 0.23 -0.77 -4.95 119.30 118.05 3hcu s MET 143 Ca -0.02 -1.33 -0.31 0.00 -1.03 0.00 0.00 55.69 53.01 3hcu s MET 143 Cb -0.05 0.58 -0.10 0.00 -1.53 0.00 0.00 34.83 33.74 3hcu s MET 143 CO -0.00 -0.97 1.51 -2.00 -2.03 0.00 0.00 175.02 171.53 3hcu s GLU 144 N -2.32 4.24 0.37 3.16 2.12 -1.26 -0.62 118.70 124.39 3hcu s GLU 144 Ca 0.16 2.33 0.16 0.00 0.36 0.00 0.00 54.97 57.98 3hcu s GLU 144 Cb -0.05 -3.14 1.06 0.00 0.26 0.00 0.00 34.13 32.26 3hcu s GLU 144 CO 0.10 -0.53 1.73 1.25 -0.54 0.00 0.00 175.26 177.27 3hcu h LEU 145 N 6.15 0.51 -1.98 2.70 5.85 0.02 0.40 115.31 128.97 3hcu h LEU 145 Ca -0.44 0.12 0.23 0.00 0.84 0.00 0.00 57.88 58.63 3hcu h LEU 145 Cb 1.21 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 3hcu h LEU 145 CO 0.86 0.05 0.59 -0.09 -0.34 0.00 0.00 178.44 179.51 3hcu h ARG 146 N 0.42 0.00 -0.01 1.25 2.43 -0.67 -1.08 114.38 116.72 3hcu h ARG 146 Ca 0.65 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.82 3hcu h ARG 146 Cb 1.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 3hcu h ARG 146 CO -0.40 0.00 -0.69 0.72 -1.51 0.00 0.00 179.97 178.09 3hcu n HIS 147 N -4.18 0.00 -0.27 2.20 8.25 0.14 -4.58 115.22 116.78 3hcu n HIS 147 Ca 0.16 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.55 3hcu n HIS 147 Cb 0.88 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.96 3hcu n HIS 147 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3hcu h LEU 148 N 1.04 -1.58 -0.72 2.41 5.85 -1.03 -0.98 115.31 120.30 3hcu h LEU 148 Ca 0.00 0.27 0.14 0.00 0.84 0.00 0.00 57.88 59.13 3hcu h LEU 148 Cb 0.56 0.73 -0.14 0.00 0.37 0.00 0.00 40.66 42.19 3hcu h LEU 148 CO 0.00 -0.31 -0.19 -0.08 -0.34 0.00 0.00 178.44 177.51 3hcu h GLU 149 N -0.15 -0.01 -0.23 1.25 4.81 -1.81 -0.54 114.58 117.89 3hcu h GLU 149 Ca 0.21 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3hcu h GLU 149 Cb 0.55 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3hcu h GLU 149 CO -0.78 -0.01 0.09 0.22 -0.73 0.00 0.00 179.01 177.80 3hcu h ASP 150 N -0.01 0.12 -0.95 1.04 1.82 -1.50 -1.82 116.42 115.12 3hcu h ASP 150 Ca 0.34 0.02 0.18 0.00 -0.39 0.00 0.00 57.03 57.18 3hcu h ASP 150 Cb 0.53 0.00 -0.08 0.00 0.68 0.00 0.00 39.33 40.46 3hcu h ASP 150 CO -0.74 0.10 0.60 -0.74 -1.61 0.00 0.00 179.24 176.85 3hcu h HIS 151 N 0.21 0.87 -0.91 0.28 2.76 -0.60 -2.15 115.15 115.61 3hcu h HIS 151 Ca 0.10 0.03 0.22 0.00 -2.20 0.00 0.00 60.37 58.52 3hcu h HIS 151 Cb 0.06 -0.27 -0.12 0.00 1.55 0.00 0.00 27.41 28.63 3hcu h HIS 151 CO -0.11 0.25 0.43 0.37 -1.30 0.00 0.00 177.93 177.56 3hcu h GLN 152 N 0.67 0.43 0.00 5.26 5.75 -0.63 0.40 115.11 126.98 3hcu h GLN 152 Ca 0.51 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.99 3hcu h GLN 152 Cb 0.90 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 29.35 3hcu h GLN 152 CO -0.27 0.28 0.00 0.00 -2.65 0.00 0.00 178.83 176.19 3hcu n ALA 153 N -2.46 1.53 -2.21 3.38 0.00 -0.81 -2.23 120.51 117.70 3hcu n ALA 153 Ca 0.23 -0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.68 3hcu n ALA 153 Cb 0.66 -1.08 0.06 0.00 0.00 0.00 0.00 19.45 19.09 3hcu n ALA 153 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hcu n HIS 154 N -1.16 0.00 -3.28 0.00 8.25 0.14 -5.10 115.22 114.06 3hcu n HIS 154 Ca 0.03 -0.64 -0.36 0.00 -0.26 0.00 0.00 57.72 56.49 3hcu n HIS 154 Cb 0.03 -0.16 -0.06 0.00 1.12 0.00 0.00 29.99 30.92 3hcu n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hcu h GLU 156 N 3.65 0.00 -5.30 0.00 4.39 -1.94 -3.41 114.58 111.97 3hcu h GLU 156 Ca -0.49 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.58 3hcu h GLU 156 Cb 1.20 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.63 3hcu h GLU 156 CO 0.65 0.60 -0.66 -0.06 -1.16 0.00 0.00 179.01 178.38 3hcu s PHE 157 N -3.34 3.03 0.00 4.33 0.40 -1.26 -5.02 117.98 116.12 3hcu s PHE 157 Ca 0.00 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 3hcu s PHE 157 Cb 0.11 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.67 3hcu s PHE 157 CO 0.75 -0.03 0.00 0.00 0.70 0.00 0.00 175.22 176.64 3hcu n ALA 158 N 3.53 0.00 1.24 5.36 0.00 -1.26 -4.92 120.51 124.46 3hcu n ALA 158 Ca -0.17 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.37 3hcu n ALA 158 Cb 0.52 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.56 3hcu n ALA 158 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97