#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 0.44 3.23 1.69 0.00 -1.26 -4.86 105.19 104.43 3hcu n GLY 55 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 2.63 3.02 -0.94 1.61 4.12 -0.97 -4.76 117.35 122.06 3hcu s TYR 56 Ca 0.00 -1.37 -0.02 0.00 0.02 0.00 0.00 57.07 55.70 3hcu s TYR 56 Cb 0.00 -2.07 0.25 0.00 -1.52 0.00 0.00 41.96 38.62 3hcu s TYR 56 CO 0.00 -0.68 0.97 -3.47 0.02 0.00 0.00 175.55 172.39 3hcu n ASP 57 N 4.71 4.79 -3.64 2.29 2.03 -1.26 -3.28 116.55 122.19 3hcu n ASP 57 Ca -0.17 -3.21 -0.07 0.00 0.52 0.00 0.00 54.79 51.86 3hcu n ASP 57 Cb 0.48 -1.10 -0.07 0.00 -0.72 0.00 0.00 41.12 39.71 3hcu n ASP 57 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3hcu s VAL 58 N -1.76 0.00 0.52 5.18 -7.23 -1.26 -5.11 120.40 110.74 3hcu s VAL 58 Ca 0.30 0.00 -0.21 0.00 -1.81 0.00 0.00 61.98 60.26 3hcu s VAL 58 Cb -0.03 -1.00 -0.06 0.00 0.56 0.00 0.00 36.38 35.86 3hcu s VAL 58 CO -0.06 0.00 1.21 -1.83 -0.31 0.00 0.00 175.10 174.11 3hcu s GLU 59 N 1.46 3.39 0.41 4.82 -1.05 -1.26 -4.88 118.70 121.58 3hcu s GLU 59 Ca -0.09 1.87 0.08 0.00 -0.15 0.00 0.00 54.97 56.68 3hcu s GLU 59 Cb -0.05 -2.21 -0.01 0.00 -0.44 0.00 0.00 34.13 31.42 3hcu s GLU 59 CO -0.17 -0.88 0.45 -0.06 0.95 0.00 0.00 175.26 175.54 3hcu s PHE 60 N -1.53 2.78 -0.29 4.83 0.08 -1.26 -0.86 117.98 121.73 3hcu s PHE 60 Ca 0.70 -0.43 0.03 0.00 0.12 0.00 0.00 56.93 57.34 3hcu s PHE 60 Cb -0.31 -2.22 0.17 0.00 -0.57 0.00 0.00 43.02 40.08 3hcu s PHE 60 CO 0.36 -0.21 0.44 0.34 -0.10 0.00 0.00 175.22 176.05 3hcu s ASP 61 N -4.21 0.06 1.01 1.36 2.15 -0.23 -3.56 116.67 113.26 3hcu s ASP 61 Ca 0.50 -0.32 -0.18 0.00 0.43 0.00 0.00 52.55 52.98 3hcu s ASP 61 Cb -0.06 1.25 -0.03 0.00 -0.30 0.00 0.00 42.92 43.78 3hcu s ASP 61 CO 0.30 -0.34 -0.31 -2.65 -0.17 0.00 0.00 175.17 172.00 3hcu n PRO 62 N 5.33 -0.49 0.12 4.34 -0.02 -1.26 -4.62 135.00 138.41 3hcu n PRO 62 Ca 0.02 -0.12 0.07 0.00 -2.02 0.00 0.00 63.50 61.44 3hcu n PRO 62 Cb 0.50 -1.47 0.35 0.00 -0.02 0.00 0.00 33.50 32.86 3hcu n PRO 62 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3hcu n PRO 63 N -0.07 0.08 -0.00 0.52 -0.04 -1.23 -4.87 135.00 129.39 3hcu n PRO 63 Ca 0.02 0.55 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 3hcu n PRO 63 Cb 0.60 -1.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 3hcu n PRO 63 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3hcu n LEU 64 N -1.96 -0.01 -4.61 1.53 7.94 -1.26 -4.43 117.00 114.21 3hcu n LEU 64 Ca -0.01 0.00 -0.45 0.00 -1.11 0.00 0.00 56.01 54.44 3hcu n LEU 64 Cb 0.17 -0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.10 3hcu n LEU 64 CO 0.06 0.00 0.69 -0.62 -1.11 0.00 0.00 177.39 176.41 3hcu n GLU 65 N 0.80 1.50 0.00 1.96 1.02 -1.26 -4.78 120.64 119.88 3hcu n GLU 65 Ca 0.00 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 3hcu n GLU 65 Cb 0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 31.44 29.44 3hcu n GLU 65 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hcu n SER 66 N 1.42 0.00 0.03 1.62 2.88 -1.26 -1.80 113.62 116.51 3hcu n SER 66 Ca 0.10 0.09 0.13 0.00 -1.33 0.00 0.00 58.87 57.86 3hcu n SER 66 Cb 0.31 -0.09 0.45 0.00 -0.75 0.00 0.00 64.21 64.13 3hcu n SER 66 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 3hcu n LYS 67 N -0.98 0.10 -0.09 -1.46 4.81 -1.26 -3.81 118.16 115.47 3hcu n LYS 67 Ca 0.00 0.07 0.05 0.00 -0.87 0.00 0.00 58.31 57.55 3hcu n LYS 67 Cb 0.03 -1.60 0.09 0.00 0.02 0.00 0.00 35.03 33.57 3hcu n LYS 67 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hcu n TYR 68 N -1.77 0.22 -3.18 5.64 4.01 -0.75 -4.98 117.16 116.35 3hcu n TYR 68 Ca 0.06 -0.28 -0.39 0.00 -0.16 0.00 0.00 57.90 57.13 3hcu n TYR 68 Cb 0.37 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.33 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 -0.91 4.34 -0.20 -0.72 2.12 -1.25 0.10 118.70 122.18 3hcu s GLU 69 Ca 0.16 0.75 -0.29 0.00 0.36 0.00 0.00 54.97 55.95 3hcu s GLU 69 Cb 0.09 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 31.11 3hcu s GLU 69 CO 0.13 0.32 1.30 0.00 -0.54 0.00 0.00 175.26 176.47 3hcu n PRO 71 N 6.87 0.03 -0.01 0.00 -0.02 -1.26 -0.63 135.00 139.99 3hcu n PRO 71 Ca 0.14 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.64 3hcu n PRO 71 Cb 0.45 -1.42 -0.04 0.00 -0.02 0.00 0.00 33.50 32.47 3hcu n PRO 71 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3hcu n ILE 72 N -0.92 0.06 -0.61 4.25 5.41 -1.26 -4.75 119.36 121.53 3hcu n ILE 72 Ca 0.01 -0.14 0.00 0.00 1.00 0.00 0.00 62.75 63.62 3hcu n ILE 72 Cb 0.00 0.17 0.00 0.00 -0.71 0.00 0.00 39.64 39.11 3hcu n ILE 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hcu n LEU 74 N -0.24 -0.32 -4.57 0.00 7.99 0.20 -4.57 117.00 115.50 3hcu n LEU 74 Ca 0.00 0.27 -0.28 0.00 -0.01 0.00 0.00 56.01 55.99 3hcu n LEU 74 Cb 0.40 -1.16 -0.10 0.00 -0.11 0.00 0.00 43.42 42.45 3hcu n LEU 74 CO 0.00 -0.11 -0.42 -0.32 -1.51 0.00 0.00 177.39 175.03 3hcu s MET 75 N -3.82 2.07 0.37 3.23 1.75 -1.25 -4.77 119.30 116.89 3hcu s MET 75 Ca 0.00 -1.15 -0.24 0.00 -1.25 0.00 0.00 55.69 53.04 3hcu s MET 75 Cb 0.00 -2.22 -0.13 0.00 2.84 0.00 0.00 34.83 35.32 3hcu s MET 75 CO 0.00 0.47 0.75 0.00 -0.65 0.00 0.00 175.02 175.59 3hcu n ALA 76 N 0.38 -0.97 -1.57 4.11 0.00 -1.20 0.85 120.51 122.10 3hcu n ALA 76 Ca -0.12 0.25 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 3hcu n ALA 76 Cb 0.54 -1.88 -0.09 0.00 0.00 0.00 0.00 19.45 18.02 3hcu n ALA 76 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hcu n LEU 77 N 1.15 2.45 -4.79 0.00 4.77 0.28 -2.30 117.00 118.56 3hcu n LEU 77 Ca 0.11 -2.71 -0.35 0.00 -0.03 0.00 0.00 56.01 53.03 3hcu n LEU 77 Cb 0.37 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 39.94 3hcu n LEU 77 CO 0.56 -2.17 0.72 -0.60 -1.33 0.00 0.00 177.39 174.57 3hcu s ARG 78 N 6.92 4.03 0.00 3.23 3.52 -1.26 -3.20 118.95 132.19 3hcu s ARG 78 Ca 0.71 1.42 0.00 0.00 -0.13 0.00 0.00 55.73 57.72 3hcu s ARG 78 Cb 0.03 -2.34 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 3hcu s ARG 78 CO 0.18 -0.24 0.00 0.39 -0.81 0.00 0.00 175.30 174.82 3hcu n GLU 79 N -0.46 0.00 -2.94 5.12 4.71 -1.26 -4.14 120.64 121.66 3hcu n GLU 79 Ca 0.07 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.20 3hcu n GLU 79 Cb 0.51 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 30.93 3hcu n GLU 79 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hcu n ALA 80 N 0.00 -2.26 -2.43 0.62 0.00 -1.19 -4.52 120.51 110.72 3hcu n ALA 80 Ca 0.00 0.67 -0.22 0.00 0.00 0.00 0.00 53.44 53.89 3hcu n ALA 80 Cb 0.00 -1.62 -0.10 0.00 0.00 0.00 0.00 19.45 17.73 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 -0.64 2.14 0.13 0.00 -7.23 0.92 0.14 120.40 115.86 3hcu s VAL 81 Ca -0.07 -2.30 0.08 0.00 -1.81 0.00 0.00 61.98 57.87 3hcu s VAL 81 Cb 0.00 -2.25 -0.04 0.00 0.56 0.00 0.00 36.38 34.66 3hcu s VAL 81 CO 0.31 -0.45 -0.18 -1.58 -0.31 0.00 0.00 175.10 172.89 3hcu s GLN 82 N -3.58 1.15 0.43 4.82 0.74 -1.26 -1.71 119.66 120.25 3hcu s GLN 82 Ca 0.27 -1.26 0.08 0.00 0.05 0.00 0.00 55.36 54.50 3hcu s GLN 82 Cb -0.02 -1.26 0.00 0.00 1.10 0.00 0.00 33.01 32.84 3hcu s GLN 82 CO 0.12 0.27 0.50 0.95 -0.55 0.00 0.00 175.29 176.58 3hcu s THR 83 N -1.68 2.76 0.30 -0.34 -4.23 -0.72 -3.39 115.64 108.34 3hcu s THR 83 Ca 0.10 -1.15 0.35 0.00 -1.18 0.00 0.00 61.69 59.81 3hcu s THR 83 Cb -0.07 -2.92 0.35 0.00 1.34 0.00 0.00 72.50 71.20 3hcu s THR 83 CO 0.05 0.00 2.08 -0.65 -0.54 0.00 0.00 174.62 175.56 3hcu h PRO 84 N 0.77 0.00 -0.65 3.99 0.11 -1.93 -1.20 132.00 133.09 3hcu h PRO 84 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3hcu h PRO 84 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hcu h PRO 84 CO 0.50 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.29 3hcu n GLY 86 N 1.09 0.10 3.34 0.00 0.00 -0.45 -5.04 105.19 104.22 3hcu n GLY 86 Ca 0.23 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.01 2.38 -0.11 1.61 3.76 -1.26 -4.89 115.29 113.78 3hcu s HIS 87 Ca 0.23 -0.40 -0.05 0.00 -0.15 0.00 0.00 55.06 54.69 3hcu s HIS 87 Cb -0.10 -1.50 -0.04 0.00 1.11 0.00 0.00 32.58 32.05 3hcu s HIS 87 CO 0.28 0.01 0.07 1.03 -0.85 0.00 0.00 174.74 175.29 3hcu s ARG 88 N -0.71 3.28 0.25 1.40 0.52 -1.26 -1.75 118.95 120.68 3hcu s ARG 88 Ca 0.10 -0.26 -0.15 0.00 -0.52 0.00 0.00 55.73 54.90 3hcu s ARG 88 Cb -0.10 -3.02 0.00 0.00 0.52 0.00 0.00 34.95 32.35 3hcu s ARG 88 CO -0.00 0.71 0.53 -0.06 0.02 0.00 0.00 175.30 176.50 3hcu s PHE 89 N -0.88 0.22 0.03 -0.53 0.40 -0.70 -4.32 117.98 112.22 3hcu s PHE 89 Ca 0.14 -0.61 -0.28 0.00 -0.60 0.00 0.00 56.93 55.58 3hcu s PHE 89 Cb -0.12 0.30 -0.04 0.00 0.51 0.00 0.00 43.02 43.67 3hcu s PHE 89 CO 0.03 -1.04 0.88 0.00 0.70 0.00 0.00 175.22 175.79 3hcu h LYS 91 N 6.21 0.10 0.02 0.00 3.64 -1.87 0.25 116.57 124.93 3hcu h LYS 91 Ca -0.42 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3hcu h LYS 91 Cb 1.21 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 3hcu h LYS 91 CO 0.73 0.07 -0.01 0.00 -2.27 0.00 0.00 179.45 177.97 3hcu h ALA 92 N 1.91 -0.03 -0.35 5.00 0.00 -1.91 -2.37 119.26 121.50 3hcu h ALA 92 Ca 0.66 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.42 3hcu h ALA 92 Cb 1.49 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.21 3hcu h ALA 92 CO -0.76 -0.28 -0.25 0.00 0.00 0.00 0.00 179.25 177.95 3hcu h ILE 94 N -0.20 1.29 -0.61 0.00 6.09 -1.30 -2.25 117.51 120.53 3hcu h ILE 94 Ca 0.17 -1.84 -0.04 0.00 -1.37 0.00 0.00 64.86 61.78 3hcu h ILE 94 Cb 0.48 1.79 -0.03 0.00 0.47 0.00 0.00 36.82 39.53 3hcu h ILE 94 CO -0.47 0.59 0.23 0.40 -3.07 0.00 0.00 178.15 175.82 3hcu h ILE 95 N 0.55 1.23 -0.23 2.19 2.04 -1.25 0.14 117.51 122.18 3hcu h ILE 95 Ca -0.01 -0.75 0.04 0.00 1.00 0.00 0.00 64.86 65.14 3hcu h ILE 95 Cb 1.22 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 3hcu h ILE 95 CO 0.13 0.29 -0.02 0.50 0.00 0.00 0.00 178.15 179.05 3hcu h LYS 96 N 0.86 0.04 -0.41 2.37 3.64 -1.28 -1.78 116.57 120.02 3hcu h LYS 96 Ca 0.20 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.63 3hcu h LYS 96 Cb 0.23 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3hcu h LYS 96 CO -0.01 0.03 0.28 1.03 -2.27 0.00 0.00 179.45 178.50 3hcu h SER 97 N 0.05 0.28 0.54 4.20 0.87 -0.67 -1.43 113.55 117.38 3hcu h SER 97 Ca 0.11 -0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.59 3hcu h SER 97 Cb 0.15 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 3hcu h SER 97 CO -0.20 0.19 -0.36 0.40 -0.53 0.00 0.00 176.83 176.32 3hcu h ILE 98 N 0.32 1.06 0.00 2.23 2.04 0.15 -0.44 117.51 122.88 3hcu h ILE 98 Ca 0.18 -1.33 -0.36 0.00 1.00 0.00 0.00 64.86 64.35 3hcu h ILE 98 Cb 0.30 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 38.08 3hcu h ILE 98 CO -0.04 0.36 -2.24 0.54 0.00 0.00 0.00 178.15 176.77 3hcu n ARG 99 N -3.82 0.49 -0.12 2.37 1.74 -1.01 -3.19 116.66 113.12 3hcu n ARG 99 Ca -0.01 0.18 -0.09 0.00 -0.77 0.00 0.00 57.85 57.16 3hcu n ARG 99 Cb 0.43 -1.33 0.05 0.00 -1.02 0.00 0.00 32.46 30.60 3hcu n ARG 99 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3hcu h ASP 100 N -0.58 0.88 0.01 0.55 3.32 -1.42 -3.36 116.42 115.83 3hcu h ASP 100 Ca -0.54 -0.33 -0.41 0.00 0.02 0.00 0.00 57.03 55.77 3hcu h ASP 100 Cb 1.56 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 40.80 3hcu h ASP 100 CO -0.27 1.07 -2.44 0.00 -1.72 0.00 0.00 179.24 175.88 3hcu n ALA 101 N -2.51 1.31 0.00 3.45 0.00 -0.79 -5.06 120.51 116.91 3hcu n ALA 101 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.38 3hcu n ALA 101 Cb 0.45 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 1.87 3.09 2.53 0.00 0.00 -0.24 -4.95 105.19 107.49 3hcu n GLY 102 Ca -0.48 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.70 2.77 -3.69 1.61 8.25 -1.20 -3.92 115.22 117.35 3hcu n HIS 103 Ca 0.00 -2.95 -0.14 0.00 -0.26 0.00 0.00 57.72 54.38 3hcu n HIS 103 Cb 0.00 -2.23 -0.09 0.00 1.12 0.00 0.00 29.99 28.79 3hcu n HIS 103 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3hcu s LYS 104 N 1.13 0.66 0.19 -0.41 1.02 -1.23 -1.16 119.74 119.94 3hcu s LYS 104 Ca 0.56 0.53 -0.31 0.00 0.02 0.00 0.00 55.97 56.77 3hcu s LYS 104 Cb 0.16 0.32 -0.10 0.00 -0.52 0.00 0.00 37.83 37.69 3hcu s LYS 104 CO -0.06 -0.12 1.49 0.00 -0.92 0.00 0.00 175.35 175.74 3hcu n PRO 106 N 3.31 0.05 -0.11 0.00 -0.04 -1.26 -1.51 135.00 135.45 3hcu n PRO 106 Ca 0.11 0.29 -0.20 0.00 -0.04 0.00 0.00 63.50 63.66 3hcu n PRO 106 Cb 0.40 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.29 3hcu n PRO 106 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hcu n VAL 107 N -1.41 1.40 0.97 0.52 0.31 -1.26 -4.73 118.33 114.12 3hcu n VAL 107 Ca 0.03 -0.15 0.10 0.00 -0.01 0.00 0.00 64.34 64.31 3hcu n VAL 107 Cb 0.09 -2.00 -0.12 0.00 -0.91 0.00 0.00 33.84 30.91 3hcu n VAL 107 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3hcu n ASP 108 N -4.20 0.98 0.00 4.52 3.85 -1.25 -4.98 116.55 115.46 3hcu n ASP 108 Ca -0.35 -0.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.74 3hcu n ASP 108 Cb 0.70 1.00 0.00 0.00 -1.35 0.00 0.00 41.12 41.47 3hcu n ASP 108 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3hcu n ASN 109 N -1.47 -1.05 -4.75 -1.12 2.85 -0.57 -5.01 115.26 104.15 3hcu n ASN 109 Ca 0.04 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.17 3hcu n ASN 109 Cb 0.32 -0.48 0.07 0.00 1.24 0.00 0.00 39.78 40.93 3hcu n ASN 109 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3hcu s GLU 110 N -0.16 2.51 0.32 1.20 2.02 -1.26 -4.46 118.70 118.87 3hcu s GLU 110 Ca 0.00 1.55 -0.29 0.00 0.02 0.00 0.00 54.97 56.25 3hcu s GLU 110 Cb 0.00 -1.90 -0.10 0.00 0.10 0.00 0.00 34.13 32.23 3hcu s GLU 110 CO 0.00 -1.50 1.29 0.42 0.02 0.00 0.00 175.26 175.49 3hcu s ILE 111 N -2.18 2.82 -0.02 -1.63 1.01 -1.26 0.81 121.20 120.75 3hcu s ILE 111 Ca 0.70 0.81 -0.01 0.00 0.00 0.00 0.00 60.65 62.15 3hcu s ILE 111 Cb -0.24 -3.51 0.01 0.00 0.01 0.00 0.00 42.46 38.73 3hcu s ILE 111 CO 0.43 0.19 0.04 -0.22 0.00 0.00 0.00 174.94 175.37 3hcu s LEU 112 N -1.61 1.60 -0.16 2.97 2.96 -0.31 -4.69 118.68 119.45 3hcu s LEU 112 Ca 0.49 0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 54.47 3hcu s LEU 112 Cb -0.39 0.08 -0.00 0.00 0.50 0.00 0.00 46.19 46.37 3hcu s LEU 112 CO 0.51 -0.05 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.59 3hcu s LEU 113 N 0.36 2.55 0.00 -0.68 1.43 -1.26 -3.58 118.68 117.51 3hcu s LEU 113 Ca -0.03 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 3hcu s LEU 113 Cb -0.04 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.59 3hcu s LEU 113 CO -0.01 0.09 0.00 1.21 0.23 0.00 0.00 176.35 177.87 3hcu n GLU 114 N 4.03 0.00 -1.93 1.70 4.07 -1.26 -0.83 120.64 126.41 3hcu n GLU 114 Ca -0.19 0.00 -0.41 0.00 -0.06 0.00 0.00 57.16 56.50 3hcu n GLU 114 Cb 0.52 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.88 3hcu n GLU 114 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3hcu n ASN 115 N -2.81 3.91 0.00 4.31 4.13 -1.26 -3.53 115.26 120.01 3hcu n ASN 115 Ca 0.00 -2.83 0.00 0.00 1.68 0.00 0.00 54.58 53.43 3hcu n ASN 115 Cb 0.00 -1.61 0.00 0.00 -1.54 0.00 0.00 39.78 36.63 3hcu n ASN 115 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hcu n GLN 116 N 7.14 0.00 -0.00 3.52 6.02 -0.01 -5.14 117.38 128.91 3hcu n GLN 116 Ca 0.50 -0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.41 3hcu n GLN 116 Cb 0.42 -0.09 0.00 0.00 1.02 0.00 0.00 30.24 31.59 3hcu n GLN 116 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hcu n LEU 117 N 0.00 0.00 0.00 1.08 4.77 -1.23 -4.33 117.00 117.29 3hcu n LEU 117 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hcu n LEU 117 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 3hcu n LEU 117 CO 0.00 -0.00 0.00 0.33 -1.33 0.00 0.00 177.39 176.39 3hcu n PHE 118 N -0.00 0.00 -3.14 -1.77 7.35 -1.22 -4.84 117.46 113.84 3hcu n PHE 118 Ca 0.00 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.51 3hcu n PHE 118 Cb 0.00 0.00 0.01 0.00 0.35 0.00 0.00 39.48 39.84 3hcu n PHE 118 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3hcu s PRO 119 N 0.00 2.88 -1.28 -7.13 0.04 -1.26 -5.01 135.00 123.24 3hcu s PRO 119 Ca 0.00 -1.20 -0.18 0.00 0.04 0.00 0.00 61.00 59.66 3hcu s PRO 119 Cb 0.00 -2.76 0.01 0.00 0.04 0.00 0.00 34.50 31.79 3hcu s PRO 119 CO 0.00 -0.19 1.98 -3.47 0.04 0.00 0.00 177.00 175.35 3hcu n ASP 120 N -1.79 3.98 0.07 6.66 -0.08 0.38 -4.76 116.55 121.01 3hcu n ASP 120 Ca 0.06 -2.83 0.03 0.00 -1.51 0.00 0.00 54.79 50.54 3hcu n ASP 120 Cb 0.59 -1.63 0.42 0.00 2.34 0.00 0.00 41.12 42.85 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 7.26 0.33 -0.77 1.67 2.35 -1.88 -0.32 115.58 124.22 3hcu h ASN 121 Ca 0.47 -0.03 0.05 0.00 -0.55 0.00 0.00 56.30 56.23 3hcu h ASN 121 Cb 0.76 -0.09 -0.05 0.00 0.05 0.00 0.00 38.32 38.99 3hcu h ASN 121 CO 1.67 0.34 0.47 0.15 -1.65 0.00 0.00 177.43 178.41 3hcu h PHE 122 N 0.37 0.87 -0.04 1.19 3.57 -1.96 0.16 116.94 121.11 3hcu h PHE 122 Ca 0.09 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.50 3hcu h PHE 122 Cb 0.14 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3hcu h PHE 122 CO 0.00 0.47 -0.49 0.00 -2.23 0.00 0.00 178.31 176.07 3hcu h ALA 123 N 1.35 1.11 0.06 2.41 0.00 -1.65 -2.48 119.26 120.07 3hcu h ALA 123 Ca 0.32 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3hcu h ALA 123 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hcu h ALA 123 CO -0.14 0.63 -0.03 0.87 0.00 0.00 0.00 179.25 180.57 3hcu h LYS 124 N 0.09 -0.08 -0.62 0.00 1.57 0.87 0.64 116.57 119.03 3hcu h LYS 124 Ca 0.00 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 3hcu h LYS 124 Cb 0.89 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.16 3hcu h LYS 124 CO 0.07 0.08 0.31 0.00 -0.57 0.00 0.00 179.45 179.34 3hcu h ARG 125 N -0.23 0.54 -0.33 3.15 3.08 -0.90 0.56 114.38 120.25 3hcu h ARG 125 Ca -0.01 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.06 3hcu h ARG 125 Cb 0.20 -0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 3hcu h ARG 125 CO 0.01 0.36 0.03 0.93 -1.07 0.00 0.00 179.97 180.24 3hcu h GLU 126 N 0.56 0.13 0.25 0.04 4.39 -1.06 -2.56 114.58 116.34 3hcu h GLU 126 Ca 0.29 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.97 3hcu h GLU 126 Cb 0.25 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3hcu h GLU 126 CO -0.22 0.09 -0.12 0.82 -1.16 0.00 0.00 179.01 178.41 3hcu h ILE 127 N 0.13 0.79 0.00 3.13 2.04 0.08 -3.09 117.51 120.59 3hcu h ILE 127 Ca 0.16 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.34 3hcu h ILE 127 Cb 0.20 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 3hcu h ILE 127 CO -0.24 0.14 0.00 0.18 0.00 0.00 0.00 178.15 178.23 3hcu n LEU 128 N -5.08 1.30 0.00 1.44 4.77 0.19 -0.88 117.00 118.73 3hcu n LEU 128 Ca -0.09 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 3hcu n LEU 128 Cb 0.25 -0.28 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 3hcu n LEU 128 CO 0.30 0.23 0.08 -1.20 -1.33 0.00 0.00 177.39 175.47 3hcu n SER 129 N 0.55 0.26 -4.88 -1.43 7.64 -0.97 -3.58 113.62 111.20 3hcu n SER 129 Ca 0.00 -1.02 -0.30 0.00 1.01 0.00 0.00 58.87 58.56 3hcu n SER 129 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.02 3.40 -0.20 -3.43 1.43 -0.06 -4.65 118.68 115.15 3hcu s LEU 130 Ca 0.00 1.30 -0.21 0.00 -1.03 0.00 0.00 54.13 54.19 3hcu s LEU 130 Cb 0.00 -4.30 -0.02 0.00 0.03 0.00 0.00 46.19 41.89 3hcu s LEU 130 CO 0.00 -0.75 0.65 -0.32 0.23 0.00 0.00 176.35 176.16 3hcu s MET 131 N -4.89 4.22 -0.13 1.70 1.75 -1.26 0.13 119.30 120.82 3hcu s MET 131 Ca 0.53 0.65 -0.04 0.00 -1.25 0.00 0.00 55.69 55.58 3hcu s MET 131 Cb -0.11 -3.58 -0.03 0.00 2.84 0.00 0.00 34.83 33.95 3hcu s MET 131 CO 0.48 -0.25 0.01 0.14 -0.65 0.00 0.00 175.02 174.75 3hcu s VAL 132 N 1.94 4.34 -0.93 10.11 -7.23 -0.57 -1.06 120.40 127.00 3hcu s VAL 132 Ca 0.29 -0.22 -0.14 0.00 -1.81 0.00 0.00 61.98 60.11 3hcu s VAL 132 Cb -0.16 -2.88 0.21 0.00 0.56 0.00 0.00 36.38 34.11 3hcu s VAL 132 CO 0.10 0.54 0.94 -0.75 -0.31 0.00 0.00 175.10 175.62 3hcu s LYS 133 N -0.22 3.76 0.03 4.82 2.20 -0.04 -3.81 119.74 126.48 3hcu s LYS 133 Ca 0.06 -2.50 -0.03 0.00 -0.36 0.00 0.00 55.97 53.13 3hcu s LYS 133 Cb -0.12 -4.58 -0.02 0.00 -1.51 0.00 0.00 37.83 31.60 3hcu s LYS 133 CO 0.02 -1.39 0.04 0.00 -0.36 0.00 0.00 175.35 173.66 3hcu s PRO 135 N -0.11 2.54 -0.06 0.00 0.04 -1.26 -4.88 135.00 131.26 3hcu s PRO 135 Ca 0.07 -0.49 -0.02 0.00 0.04 0.00 0.00 61.00 60.60 3hcu s PRO 135 Cb -0.09 -2.37 0.01 0.00 0.04 0.00 0.00 34.50 32.08 3hcu s PRO 135 CO 0.07 -0.83 0.04 -1.71 0.04 0.00 0.00 177.00 174.61 3hcu n ASN 136 N -2.52 -6.21 0.00 6.66 5.15 -1.26 -3.93 115.26 113.15 3hcu n ASN 136 Ca 0.07 0.91 0.00 0.00 -0.60 0.00 0.00 54.58 54.96 3hcu n ASN 136 Cb 0.59 -2.53 0.00 0.00 -0.53 0.00 0.00 39.78 37.31 3hcu n ASN 136 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hcu n GLU 137 N 1.86 0.00 -0.27 1.20 1.02 -1.26 -4.79 120.64 118.39 3hcu n GLU 137 Ca -0.07 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.11 3hcu n GLU 137 Cb 0.25 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.66 3hcu n GLU 137 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hcu n GLY 138 N 0.00 -0.43 3.56 0.62 0.00 -1.25 -4.39 105.19 103.29 3hcu n GLY 138 Ca 0.00 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.49 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 15.12 1.57 -3.74 0.00 4.32 -1.26 -4.68 117.00 128.32 3hcu n LEU 140 Ca 0.42 -2.39 -0.12 0.00 -0.02 0.00 0.00 56.01 53.89 3hcu n LEU 140 Cb 0.46 -1.47 -0.12 0.00 -1.62 0.00 0.00 43.42 40.67 3hcu n LEU 140 CO 0.59 -3.02 -0.05 -1.00 -1.22 0.00 0.00 177.39 172.68 3hcu s HIS 141 N 14.24 -0.38 0.00 -1.77 3.76 -1.26 -5.10 115.29 124.78 3hcu s HIS 141 Ca 0.77 0.89 0.00 0.00 -0.15 0.00 0.00 55.06 56.57 3hcu s HIS 141 Cb 0.00 0.12 0.00 0.00 1.11 0.00 0.00 32.58 33.81 3hcu s HIS 141 CO 0.21 -0.22 0.00 1.63 -0.85 0.00 0.00 174.74 175.51 3hcu n LYS 142 N 3.69 0.50 0.00 1.40 4.01 -1.26 -4.31 118.16 122.19 3hcu n LYS 142 Ca -0.20 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.60 3hcu n LYS 142 Cb 0.55 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.07 3hcu n LYS 142 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3hcu n MET 143 N -0.35 0.00 -2.28 1.97 0.00 -1.25 -4.91 117.12 110.30 3hcu n MET 143 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.29 3hcu n MET 143 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 3hcu n MET 143 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 3hcu s GLU 144 N -2.37 4.48 0.45 3.17 2.02 -1.26 -1.51 118.70 123.67 3hcu s GLU 144 Ca 0.00 2.02 0.32 0.00 0.02 0.00 0.00 54.97 57.33 3hcu s GLU 144 Cb 0.00 -3.13 1.45 0.00 0.10 0.00 0.00 34.13 32.55 3hcu s GLU 144 CO 0.00 -0.02 1.62 1.25 0.02 0.00 0.00 175.26 178.12 3hcu h LEU 145 N 3.76 0.22 -0.38 1.80 5.85 0.90 2.29 115.31 129.75 3hcu h LEU 145 Ca -0.48 0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.28 3hcu h LEU 145 Cb 1.22 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.36 3hcu h LEU 145 CO 0.67 -0.18 -0.12 0.08 -0.34 0.00 0.00 178.44 178.55 3hcu h ARG 146 N 0.07 0.75 -1.98 1.25 0.11 -1.83 -3.17 114.38 109.57 3hcu h ARG 146 Ca 0.83 -0.30 -0.02 0.00 0.10 0.00 0.00 59.98 60.59 3hcu h ARG 146 Cb 2.68 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 33.71 3hcu h ARG 146 CO -0.40 0.91 -0.00 0.72 0.10 0.00 0.00 179.97 181.30 3hcu n HIS 147 N -4.33 0.05 -2.19 4.08 8.25 0.77 -4.66 115.22 117.19 3hcu n HIS 147 Ca -0.02 -1.05 0.00 0.00 -0.26 0.00 0.00 57.72 56.39 3hcu n HIS 147 Cb 0.37 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.92 3hcu n HIS 147 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3hcu n LEU 148 N 1.50 0.00 0.00 2.41 7.94 -1.19 -4.52 117.00 123.14 3hcu n LEU 148 Ca 0.03 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.93 3hcu n LEU 148 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 3hcu n LEU 148 CO 0.02 0.00 0.00 1.21 -1.11 0.00 0.00 177.39 177.51 3hcu n GLU 149 N 0.00 0.00 0.11 1.96 2.13 -1.26 -3.20 120.64 120.37 3hcu n GLU 149 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 3hcu n GLU 149 Cb 0.00 0.00 0.37 0.00 0.27 0.00 0.00 31.44 32.08 3hcu n GLU 149 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3hcu h ASP 150 N 0.00 0.24 0.14 4.31 5.19 -1.86 0.88 116.42 125.32 3hcu h ASP 150 Ca 0.00 -0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.36 3hcu h ASP 150 Cb 0.00 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3hcu h ASP 150 CO 0.00 0.42 -0.02 1.57 -3.12 0.00 0.00 179.24 178.09 3hcu n HIS 151 N -4.25 0.00 -0.02 4.55 -0.00 -1.19 -2.18 115.22 112.12 3hcu n HIS 151 Ca -0.01 0.00 0.06 0.00 0.46 0.00 0.00 57.72 58.24 3hcu n HIS 151 Cb 0.28 -0.07 -0.15 0.00 -0.12 0.00 0.00 29.99 29.93 3hcu n HIS 151 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 3hcu n GLN 152 N -0.88 0.68 0.10 1.57 -0.06 0.24 -3.59 117.38 115.43 3hcu n GLN 152 Ca 0.20 -0.15 0.12 0.00 -2.00 0.00 0.00 57.00 55.17 3hcu n GLN 152 Cb 0.19 -1.47 0.07 0.00 -4.06 0.00 0.00 30.24 24.98 3hcu n GLN 152 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3hcu h ALA 153 N 1.62 0.56 -0.75 1.69 0.00 0.79 -3.32 119.26 119.86 3hcu h ALA 153 Ca -0.09 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.27 3hcu h ALA 153 Cb 1.13 0.00 -0.43 0.00 0.00 0.00 0.00 17.79 18.49 3hcu h ALA 153 CO 0.01 0.00 -0.82 0.72 0.00 0.00 0.00 179.25 179.16 3hcu n HIS 154 N -2.49 2.75 -2.57 0.00 8.25 -0.93 -5.05 115.22 115.18 3hcu n HIS 154 Ca 0.01 -2.22 -0.23 0.00 -0.26 0.00 0.00 57.72 55.03 3hcu n HIS 154 Cb 0.51 -0.34 0.07 0.00 1.12 0.00 0.00 29.99 31.35 3hcu n HIS 154 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hcu n GLU 156 N -2.61 0.87 0.00 0.00 0.00 -1.26 -5.07 120.64 112.57 3hcu n GLU 156 Ca 0.11 -2.73 0.00 0.00 0.00 0.00 0.00 57.16 54.54 3hcu n GLU 156 Cb 0.60 -0.78 0.00 0.00 0.00 0.00 0.00 31.44 31.26 3hcu n GLU 156 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32