#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hct n GLY 55 N 0.00 -0.44 3.60 1.08 0.00 -1.26 -4.75 105.19 103.41 3hct n GLY 55 Ca 0.00 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 3hct n GLY 55 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hct s TYR 56 N -0.74 2.42 -1.14 1.61 1.51 0.27 -4.80 117.35 116.48 3hct s TYR 56 Ca 0.05 0.64 -0.08 0.00 -1.01 0.00 0.00 57.07 56.66 3hct s TYR 56 Cb -0.00 -4.35 0.26 0.00 -0.11 0.00 0.00 41.96 37.76 3hct s TYR 56 CO 0.03 -1.90 1.37 -3.47 -1.11 0.00 0.00 175.55 170.48 3hct n ASP 57 N 8.88 5.69 -3.86 2.29 2.03 -1.26 -2.94 116.55 127.38 3hct n ASP 57 Ca 0.15 -3.15 -0.10 0.00 0.52 0.00 0.00 54.79 52.21 3hct n ASP 57 Cb 0.48 -1.39 -0.08 0.00 -0.72 0.00 0.00 41.12 39.41 3hct n ASP 57 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3hct s VAL 58 N -1.05 0.12 -0.15 5.18 -7.23 -1.26 -5.08 120.40 110.93 3hct s VAL 58 Ca 0.34 -0.99 -0.20 0.00 -1.81 0.00 0.00 61.98 59.31 3hct s VAL 58 Cb -0.02 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.88 3hct s VAL 58 CO -0.00 -0.55 0.58 -1.83 -0.31 0.00 0.00 175.10 173.00 3hct s GLU 59 N -2.85 4.29 0.52 4.82 -1.05 -1.26 -4.96 118.70 118.21 3hct s GLU 59 Ca -0.03 0.59 -0.05 0.00 -0.15 0.00 0.00 54.97 55.34 3hct s GLU 59 Cb 0.00 -3.51 -0.01 0.00 -0.44 0.00 0.00 34.13 30.17 3hct s GLU 59 CO -0.05 -0.05 0.82 -0.06 0.95 0.00 0.00 175.26 176.87 3hct s PHE 60 N 1.26 3.40 -0.18 4.83 0.08 -1.26 -2.68 117.98 123.42 3hct s PHE 60 Ca 0.29 0.68 -0.04 0.00 0.12 0.00 0.00 56.93 57.98 3hct s PHE 60 Cb -0.16 -2.48 0.08 0.00 -0.57 0.00 0.00 43.02 39.89 3hct s PHE 60 CO 0.12 -0.51 0.18 0.34 -0.10 0.00 0.00 175.22 175.25 3hct s ASP 61 N -4.20 1.51 1.23 1.36 2.15 -0.53 -3.69 116.67 114.50 3hct s ASP 61 Ca 0.50 -0.23 -0.19 0.00 0.43 0.00 0.00 52.55 53.05 3hct s ASP 61 Cb -0.10 0.23 0.30 0.00 -0.30 0.00 0.00 42.92 43.04 3hct s ASP 61 CO 0.44 -0.32 1.08 -2.16 -0.17 0.00 0.00 175.17 174.04 3hct s PRO 62 N 2.28 -1.43 0.49 4.34 0.04 -1.26 -4.40 135.00 135.06 3hct s PRO 62 Ca 0.05 -0.01 -0.20 0.00 0.04 0.00 0.00 61.00 60.89 3hct s PRO 62 Cb -0.15 -1.57 -0.12 0.00 0.04 0.00 0.00 34.50 32.70 3hct s PRO 62 CO -0.11 -3.86 0.38 -2.30 0.04 0.00 0.00 177.00 171.16 3hct n PRO 63 N -4.88 0.40 -1.86 0.56 -0.02 -1.24 -4.84 135.00 123.13 3hct n PRO 63 Ca 0.13 0.15 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 3hct n PRO 63 Cb 0.59 -1.45 -0.03 0.00 -0.02 0.00 0.00 33.50 32.60 3hct n PRO 63 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3hct s LEU 64 N 2.19 4.37 0.41 2.45 2.96 -1.26 -4.95 118.68 124.85 3hct s LEU 64 Ca 0.64 2.62 -0.25 0.00 -0.22 0.00 0.00 54.13 56.91 3hct s LEU 64 Cb -0.53 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.50 3hct s LEU 64 CO 0.59 -0.91 1.24 -1.61 -1.32 0.00 0.00 176.35 174.33 3hct s GLU 65 N 2.14 3.99 0.45 1.98 2.02 -1.26 -4.89 118.70 123.13 3hct s GLU 65 Ca 0.75 2.00 0.17 0.00 0.02 0.00 0.00 54.97 57.90 3hct s GLU 65 Cb -0.43 -2.71 1.12 0.00 0.10 0.00 0.00 34.13 32.21 3hct s GLU 65 CO 0.33 -0.42 1.96 0.66 0.02 0.00 0.00 175.26 177.81 3hct h SER 66 N 2.63 0.29 -0.83 -0.19 4.64 -1.95 -1.49 113.55 116.66 3hct h SER 66 Ca -0.49 0.01 0.20 0.00 -0.47 0.00 0.00 61.79 61.04 3hct h SER 66 Cb 1.24 -0.05 -0.05 0.00 -0.31 0.00 0.00 62.40 63.23 3hct h SER 66 CO 0.62 0.17 0.56 0.07 -0.87 0.00 0.00 176.83 177.38 3hct h LYS 67 N 0.32 0.26 -0.54 4.77 2.10 -2.03 0.18 116.57 121.64 3hct h LYS 67 Ca 0.30 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 3hct h LYS 67 Cb 0.74 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.01 3hct h LYS 67 CO -0.07 0.17 0.00 0.66 -2.00 0.00 0.00 179.45 178.21 3hct n TYR 68 N -4.44 0.71 -3.29 0.07 4.01 -0.57 -4.93 117.16 108.73 3hct n TYR 68 Ca 0.17 -0.36 -0.38 0.00 -0.16 0.00 0.00 57.90 57.17 3hct n TYR 68 Cb 0.71 -0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.68 3hct n TYR 68 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 3hct s GLU 69 N -1.28 4.31 -0.00 -0.72 2.12 0.64 -1.83 118.70 121.93 3hct s GLU 69 Ca 0.43 0.46 -0.30 0.00 0.36 0.00 0.00 54.97 55.92 3hct s GLU 69 Cb 0.24 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 31.12 3hct s GLU 69 CO 0.33 0.09 1.32 0.00 -0.54 0.00 0.00 175.26 176.45 3hct n PRO 71 N 5.06 0.09 -0.10 0.00 -0.02 -1.26 -0.60 135.00 138.18 3hct n PRO 71 Ca 0.12 0.38 -0.17 0.00 -2.02 0.00 0.00 63.50 61.81 3hct n PRO 71 Cb 0.45 -1.70 -0.08 0.00 -0.02 0.00 0.00 33.50 32.15 3hct n PRO 71 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3hct n ILE 72 N -1.88 1.50 0.53 4.25 2.08 -1.26 -4.58 119.36 120.00 3hct n ILE 72 Ca 0.02 0.03 0.11 0.00 0.56 0.00 0.00 62.75 63.47 3hct n ILE 72 Cb 0.17 -2.15 -0.06 0.00 -0.75 0.00 0.00 39.64 36.85 3hct n ILE 72 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3hct n LEU 74 N -1.93 -0.82 -4.76 0.00 4.77 0.24 -4.92 117.00 109.58 3hct n LEU 74 Ca 0.01 0.28 -0.24 0.00 -0.03 0.00 0.00 56.01 56.03 3hct n LEU 74 Cb 0.44 -1.81 -0.07 0.00 -2.33 0.00 0.00 43.42 39.66 3hct n LEU 74 CO 0.42 -0.60 -0.13 -0.04 -1.33 0.00 0.00 177.39 175.71 3hct s MET 75 N -2.95 2.26 0.25 3.23 -1.94 -1.26 -4.76 119.30 114.14 3hct s MET 75 Ca 0.00 -1.82 -0.30 0.00 -1.71 0.00 0.00 55.69 51.86 3hct s MET 75 Cb 0.00 -2.03 -0.11 0.00 2.01 0.00 0.00 34.83 34.71 3hct s MET 75 CO 0.00 -0.14 1.51 0.00 -0.01 0.00 0.00 175.02 176.38 3hct s ALA 76 N -2.59 3.69 -0.20 3.03 0.00 -1.15 -0.89 121.76 123.66 3hct s ALA 76 Ca 0.41 1.42 -0.39 0.00 0.00 0.00 0.00 51.96 53.41 3hct s ALA 76 Cb 0.03 -3.60 -0.15 0.00 0.00 0.00 0.00 23.12 19.40 3hct s ALA 76 CO 0.23 -0.83 1.70 1.28 0.00 0.00 0.00 175.76 178.14 3hct n LEU 77 N 2.50 2.43 -4.38 0.00 4.77 -0.76 -0.56 117.00 120.99 3hct n LEU 77 Ca 0.08 1.07 -0.36 0.00 -0.03 0.00 0.00 56.01 56.77 3hct n LEU 77 Cb 0.39 -1.18 -0.13 0.00 -2.33 0.00 0.00 43.42 40.17 3hct n LEU 77 CO 0.62 -0.47 -0.31 -0.60 -1.33 0.00 0.00 177.39 175.31 3hct s ARG 78 N 3.14 3.44 -1.11 3.23 3.52 -1.26 -4.44 118.95 125.47 3hct s ARG 78 Ca 0.95 -0.61 -0.07 0.00 -0.13 0.00 0.00 55.73 55.87 3hct s ARG 78 Cb -1.00 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.09 3hct s ARG 78 CO 0.61 -0.26 0.89 -1.91 -0.81 0.00 0.00 175.30 173.82 3hct n GLU 79 N 4.88 -2.89 -1.65 5.12 4.07 -1.26 -2.93 120.64 125.97 3hct n GLU 79 Ca -0.16 0.78 -0.45 0.00 -0.06 0.00 0.00 57.16 57.26 3hct n GLU 79 Cb 0.50 -5.49 -0.02 0.00 -0.06 0.00 0.00 31.44 26.37 3hct n GLU 79 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hct n ALA 80 N -3.60 0.59 -2.37 4.31 0.00 -1.26 -2.33 120.51 115.85 3hct n ALA 80 Ca -0.12 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.57 3hct n ALA 80 Cb 0.63 -2.18 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 3hct n ALA 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hct s VAL 81 N -0.50 1.10 0.14 0.00 -7.23 -0.38 -1.38 120.40 112.16 3hct s VAL 81 Ca 0.64 -1.85 0.06 0.00 -1.81 0.00 0.00 61.98 59.02 3hct s VAL 81 Cb -0.67 -1.62 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 3hct s VAL 81 CO 0.55 -0.63 -0.13 -1.58 -0.31 0.00 0.00 175.10 173.00 3hct s GLN 82 N -3.23 1.07 0.33 4.82 0.74 0.28 -1.63 119.66 122.03 3hct s GLN 82 Ca 0.11 -1.32 0.07 0.00 0.05 0.00 0.00 55.36 54.27 3hct s GLN 82 Cb -0.01 -0.88 -0.02 0.00 1.10 0.00 0.00 33.01 33.20 3hct s GLN 82 CO 0.01 0.16 0.31 0.95 -0.55 0.00 0.00 175.29 176.17 3hct s THR 83 N -2.46 3.67 0.56 -0.34 -4.23 0.55 -2.18 115.64 111.21 3hct s THR 83 Ca 0.12 -1.32 0.24 0.00 -1.18 0.00 0.00 61.69 59.55 3hct s THR 83 Cb -0.03 -3.23 0.32 0.00 1.34 0.00 0.00 72.50 70.90 3hct s THR 83 CO 0.03 -0.18 2.17 -0.65 -0.54 0.00 0.00 174.62 175.45 3hct h PRO 84 N 1.21 0.00 -0.16 3.99 0.11 -1.91 -0.04 132.00 135.21 3hct h PRO 84 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3hct h PRO 84 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3hct h PRO 84 CO 0.58 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.37 3hct n GLY 86 N 0.70 0.59 3.91 0.00 0.00 -0.03 -5.06 105.19 105.30 3hct n GLY 86 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 3hct n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hct s HIS 87 N -2.09 3.53 0.04 1.61 3.76 -1.26 -4.80 115.29 116.08 3hct s HIS 87 Ca 0.00 0.35 0.05 0.00 -0.15 0.00 0.00 55.06 55.31 3hct s HIS 87 Cb 0.00 -1.83 -0.04 0.00 1.11 0.00 0.00 32.58 31.82 3hct s HIS 87 CO 0.00 0.59 -0.08 1.03 -0.85 0.00 0.00 174.74 175.43 3hct s ARG 88 N -2.28 2.38 0.23 1.40 0.52 -1.26 -0.33 118.95 119.61 3hct s ARG 88 Ca 0.33 -0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 54.54 3hct s ARG 88 Cb -0.13 -2.41 0.01 0.00 0.52 0.00 0.00 34.95 32.94 3hct s ARG 88 CO 0.24 0.56 0.51 -0.06 0.02 0.00 0.00 175.30 176.57 3hct s PHE 89 N -1.07 0.17 0.36 -0.53 0.40 -0.65 -4.45 117.98 112.22 3hct s PHE 89 Ca 0.19 -0.55 -0.26 0.00 -0.60 0.00 0.00 56.93 55.71 3hct s PHE 89 Cb -0.11 0.29 -0.09 0.00 0.51 0.00 0.00 43.02 43.62 3hct s PHE 89 CO 0.10 -0.99 1.10 0.00 0.70 0.00 0.00 175.22 176.13 3hct h LYS 91 N 2.92 -0.11 -0.53 0.00 3.64 -1.34 -1.91 116.57 119.24 3hct h LYS 91 Ca -0.48 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 58.86 3hct h LYS 91 Cb 1.22 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 3hct h LYS 91 CO 0.64 -0.07 0.14 0.00 -2.27 0.00 0.00 179.45 177.89 3hct h ALA 92 N 1.03 1.25 -0.17 5.00 0.00 -1.87 -2.27 119.26 122.24 3hct h ALA 92 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3hct h ALA 92 Cb 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3hct h ALA 92 CO -0.25 0.52 -0.03 0.00 0.00 0.00 0.00 179.25 179.49 3hct h ILE 94 N 0.03 1.29 -0.27 0.00 6.09 -1.29 0.92 117.51 124.29 3hct h ILE 94 Ca 0.04 -1.45 -0.02 0.00 -1.37 0.00 0.00 64.86 62.06 3hct h ILE 94 Cb 0.45 1.54 -0.01 0.00 0.47 0.00 0.00 36.82 39.27 3hct h ILE 94 CO 0.01 0.45 0.09 0.40 -3.07 0.00 0.00 178.15 176.03 3hct h ILE 95 N 0.35 1.20 -0.20 2.19 2.04 -1.39 0.64 117.51 122.34 3hct h ILE 95 Ca 0.04 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3hct h ILE 95 Cb 0.80 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3hct h ILE 95 CO 0.06 0.21 0.13 0.50 0.00 0.00 0.00 178.15 179.05 3hct h LYS 96 N 0.28 0.27 -0.64 2.37 3.64 -0.94 -0.95 116.57 120.59 3hct h LYS 96 Ca 0.09 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 3hct h LYS 96 Cb 0.23 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.94 3hct h LYS 96 CO -0.00 0.18 0.36 1.03 -2.27 0.00 0.00 179.45 178.75 3hct h SER 97 N 0.28 0.55 -0.67 4.20 0.87 -0.57 0.17 113.55 118.37 3hct h SER 97 Ca 0.07 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 3hct h SER 97 Cb -0.03 -0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 3hct h SER 97 CO -0.02 0.37 0.44 0.40 -0.53 0.00 0.00 176.83 177.49 3hct h ILE 98 N 0.68 1.15 -0.04 2.23 2.04 -0.45 0.72 117.51 123.83 3hct h ILE 98 Ca 0.28 -0.30 -0.19 0.00 1.00 0.00 0.00 64.86 65.65 3hct h ILE 98 Cb 0.14 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3hct h ILE 98 CO -0.16 0.16 -0.77 -0.09 0.00 0.00 0.00 178.15 177.29 3hct h ARG 99 N 0.88 0.32 0.00 2.37 2.43 -0.40 -2.43 114.38 117.55 3hct h ARG 99 Ca 0.25 -0.28 -0.25 0.00 -0.81 0.00 0.00 59.98 58.89 3hct h ARG 99 Cb -0.07 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 3hct h ARG 99 CO -0.07 0.94 -2.18 -0.25 -1.51 0.00 0.00 179.97 176.90 3hct n ASP 100 N -3.78 0.41 -0.30 -3.80 8.00 0.52 -4.58 116.55 113.02 3hct n ASP 100 Ca -0.04 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.52 3hct n ASP 100 Cb 0.73 1.21 0.00 0.00 -0.02 0.00 0.00 41.12 43.05 3hct n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hct n ALA 101 N -2.56 2.93 0.00 2.24 0.00 0.25 -5.06 120.51 118.31 3hct n ALA 101 Ca -0.23 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3hct n ALA 101 Cb 0.95 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3hct n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hct n GLY 102 N 0.97 2.49 2.73 0.00 0.00 -0.92 -4.83 105.19 105.64 3hct n GLY 102 Ca 0.05 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 3hct n GLY 102 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3hct n HIS 103 N 0.70 3.40 -3.79 1.61 8.25 -1.23 -3.97 115.22 120.19 3hct n HIS 103 Ca 0.00 -2.93 -0.12 0.00 -0.26 0.00 0.00 57.72 54.42 3hct n HIS 103 Cb 0.00 -2.51 -0.08 0.00 1.12 0.00 0.00 29.99 28.51 3hct n HIS 103 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3hct s LYS 104 N 3.24 0.71 -0.19 -0.41 1.02 -1.25 -0.91 119.74 121.96 3hct s LYS 104 Ca 0.49 -0.42 -0.29 0.00 0.02 0.00 0.00 55.97 55.76 3hct s LYS 104 Cb 0.14 0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 37.75 3hct s LYS 104 CO -0.08 -0.21 1.19 0.00 -0.92 0.00 0.00 175.35 175.34 3hct h PRO 106 N 7.98 0.00 -0.02 0.00 0.13 -1.95 0.45 132.00 138.60 3hct h PRO 106 Ca -0.24 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 3hct h PRO 106 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3hct h PRO 106 CO 0.97 0.00 -0.18 0.28 -0.23 0.00 0.00 178.00 178.84 3hct h VAL 107 N 0.00 1.51 -0.01 1.56 2.07 -1.98 -3.39 116.25 116.02 3hct h VAL 107 Ca 0.01 -1.77 0.00 0.00 0.82 0.00 0.00 66.70 65.77 3hct h VAL 107 Cb 0.10 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.47 3hct h VAL 107 CO -0.00 0.48 0.00 -0.90 0.02 0.00 0.00 177.57 177.17 3hct n ASP 108 N -4.57 1.41 -0.99 0.57 5.68 -1.15 -5.01 116.55 112.49 3hct n ASP 108 Ca -0.09 -1.37 -0.13 0.00 -0.50 0.00 0.00 54.79 52.70 3hct n ASP 108 Cb 0.45 -0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.37 3hct n ASP 108 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3hct n ASN 109 N -0.14 -4.60 -4.78 -1.12 3.02 0.16 -4.98 115.26 102.82 3hct n ASN 109 Ca 0.00 0.32 -0.36 0.00 -0.03 0.00 0.00 54.58 54.51 3hct n ASN 109 Cb 0.10 -3.23 -0.03 0.00 -0.61 0.00 0.00 39.78 36.01 3hct n ASN 109 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hct s GLU 110 N -3.07 3.95 0.29 3.52 0.41 -1.25 -4.65 118.70 117.89 3hct s GLU 110 Ca 0.00 1.54 -0.30 0.00 -0.41 0.00 0.00 54.97 55.80 3hct s GLU 110 Cb 0.00 -2.38 -0.12 0.00 -1.78 0.00 0.00 34.13 29.85 3hct s GLU 110 CO 0.00 -0.33 1.52 1.51 -0.49 0.00 0.00 175.26 177.46 3hct n ILE 111 N -0.44 1.13 -3.78 -1.63 3.06 -1.26 0.03 119.36 116.47 3hct n ILE 111 Ca 0.07 -0.28 -0.18 0.00 -2.50 0.00 0.00 62.75 59.86 3hct n ILE 111 Cb 0.50 -1.81 -0.17 0.00 0.54 0.00 0.00 39.64 38.71 3hct n ILE 111 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3hct s LEU 112 N -0.46 0.74 0.12 9.51 2.96 -0.08 -4.69 118.68 126.78 3hct s LEU 112 Ca 0.64 0.02 0.07 0.00 -0.22 0.00 0.00 54.13 54.65 3hct s LEU 112 Cb -0.54 -0.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.94 3hct s LEU 112 CO 0.51 -0.17 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.51 3hct s LEU 113 N 1.51 3.04 0.29 -0.68 1.43 -1.26 -3.79 118.68 119.21 3hct s LEU 113 Ca -0.03 -0.42 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3hct s LEU 113 Cb -0.13 -1.81 0.51 0.00 0.03 0.00 0.00 46.19 44.80 3hct s LEU 113 CO -0.03 0.16 1.88 -0.08 0.23 0.00 0.00 176.35 178.51 3hct h GLU 114 N 3.47 1.02 0.00 1.70 4.81 -1.99 -0.70 114.58 122.89 3hct h GLU 114 Ca -0.49 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3hct h GLU 114 Cb 1.17 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.32 3hct h GLU 114 CO 0.52 0.68 0.00 0.27 -0.73 0.00 0.00 179.01 179.75 3hct n ASN 115 N -4.53 0.00 -0.42 1.04 0.23 -1.26 -2.06 115.26 108.26 3hct n ASN 115 Ca 0.16 0.23 0.11 0.00 -0.53 0.00 0.00 54.58 54.55 3hct n ASN 115 Cb 0.25 -0.36 0.08 0.00 -2.08 0.00 0.00 39.78 37.67 3hct n ASN 115 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hct n GLN 116 N -1.36 1.08 -2.64 -3.83 6.02 -0.27 -4.90 117.38 111.48 3hct n GLN 116 Ca 0.05 -0.85 -0.41 0.00 -0.01 0.00 0.00 57.00 55.78 3hct n GLN 116 Cb 0.12 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.86 3hct n GLN 116 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3hct s LEU 117 N -2.51 4.45 0.05 1.08 1.43 -0.87 -4.28 118.68 118.02 3hct s LEU 117 Ca 0.19 1.85 0.04 0.00 -1.03 0.00 0.00 54.13 55.18 3hct s LEU 117 Cb 0.18 -3.59 -0.02 0.00 0.03 0.00 0.00 46.19 42.79 3hct s LEU 117 CO 0.57 -0.20 -0.11 0.72 0.23 0.00 0.00 176.35 177.57 3hct s PHE 118 N 0.34 0.93 0.47 0.29 -0.71 -0.93 -4.96 117.98 113.40 3hct s PHE 118 Ca 0.50 -0.42 -0.24 0.00 -1.04 0.00 0.00 56.93 55.74 3hct s PHE 118 Cb -0.25 -0.54 -0.08 0.00 -1.21 0.00 0.00 43.02 40.93 3hct s PHE 118 CO 0.30 -0.01 1.28 -2.30 -1.34 0.00 0.00 175.22 173.15 3hct n PRO 119 N 1.65 1.83 -3.34 1.99 -0.02 -1.26 -0.56 135.00 135.29 3hct n PRO 119 Ca -0.20 0.66 -0.27 0.00 -2.02 0.00 0.00 63.50 61.67 3hct n PRO 119 Cb 0.55 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.52 3hct n PRO 119 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3hct n ASP 120 N -0.17 3.74 0.24 2.55 -0.08 -0.48 -4.70 116.55 117.66 3hct n ASP 120 Ca 0.08 -3.45 0.17 0.00 -1.51 0.00 0.00 54.79 50.08 3hct n ASP 120 Cb 0.41 -0.65 0.88 0.00 2.34 0.00 0.00 41.12 44.10 3hct n ASP 120 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 3hct h ASN 121 N 3.98 0.00 -0.03 1.67 2.35 -1.93 -0.52 115.58 121.10 3hct h ASN 121 Ca 0.18 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3hct h ASN 121 Cb 0.65 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.02 3hct h ASN 121 CO 0.82 0.00 -0.01 -0.26 -1.65 0.00 0.00 177.43 176.33 3hct h PHE 122 N 0.00 0.07 -0.48 1.19 0.05 -1.97 -0.07 116.94 115.74 3hct h PHE 122 Ca 0.06 -0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.77 3hct h PHE 122 Cb 0.38 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.30 3hct h PHE 122 CO 0.00 0.44 0.05 0.00 -0.18 0.00 0.00 178.31 178.62 3hct h ALA 123 N 0.62 0.64 -0.61 2.45 0.00 -1.76 -1.99 119.26 118.60 3hct h ALA 123 Ca 0.01 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.74 3hct h ALA 123 Cb 0.42 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3hct h ALA 123 CO 0.00 0.39 0.29 -0.22 0.00 0.00 0.00 179.25 179.72 3hct h LYS 124 N 0.67 0.51 -0.30 0.00 3.64 -1.07 0.31 116.57 120.33 3hct h LYS 124 Ca 0.14 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3hct h LYS 124 Cb 0.44 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.13 3hct h LYS 124 CO 0.02 0.34 0.16 -0.09 -2.27 0.00 0.00 179.45 177.60 3hct h ARG 125 N 0.53 0.43 -0.16 1.90 2.43 -0.76 -1.95 114.38 116.81 3hct h ARG 125 Ca 0.29 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.40 3hct h ARG 125 Cb 0.27 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3hct h ARG 125 CO -0.23 0.39 0.09 0.93 -1.51 0.00 0.00 179.97 179.63 3hct h GLU 126 N 0.36 0.21 -0.37 0.20 5.08 -0.75 -2.81 114.58 116.50 3hct h GLU 126 Ca 0.11 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3hct h GLU 126 Cb 0.09 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 3hct h GLU 126 CO -0.01 0.21 0.18 0.82 -1.00 0.00 0.00 179.01 179.21 3hct h ILE 127 N 0.16 0.97 0.00 3.13 2.04 -0.88 -1.62 117.51 121.31 3hct h ILE 127 Ca 0.06 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.79 3hct h ILE 127 Cb 0.06 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.70 3hct h ILE 127 CO -0.01 0.07 0.00 -0.07 0.00 0.00 0.00 178.15 178.14 3hct h LEU 128 N 0.37 0.00 -2.08 1.44 3.38 -1.24 -1.44 115.31 115.74 3hct h LEU 128 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hct h LEU 128 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hct h LEU 128 CO -0.12 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.21 3hct n SER 129 N -2.89 3.15 -4.79 -0.43 7.64 -0.63 -1.86 113.62 113.81 3hct n SER 129 Ca -0.02 -1.96 -0.36 0.00 1.01 0.00 0.00 58.87 57.54 3hct n SER 129 Cb 0.10 -0.15 -0.05 0.00 -1.01 0.00 0.00 64.21 63.10 3hct n SER 129 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hct s LEU 130 N -1.68 4.12 0.09 -3.43 1.43 -0.54 -4.76 118.68 113.91 3hct s LEU 130 Ca 0.35 1.94 -0.30 0.00 -1.03 0.00 0.00 54.13 55.09 3hct s LEU 130 Cb 0.22 -4.24 -0.06 0.00 0.03 0.00 0.00 46.19 42.14 3hct s LEU 130 CO 0.31 -0.42 1.04 -0.04 0.23 0.00 0.00 176.35 177.47 3hct s MET 131 N -2.58 4.60 0.24 1.70 -1.94 -1.26 -0.38 119.30 119.69 3hct s MET 131 Ca 0.58 1.56 0.05 0.00 -1.71 0.00 0.00 55.69 56.17 3hct s MET 131 Cb -0.19 -3.37 -0.05 0.00 2.01 0.00 0.00 34.83 33.23 3hct s MET 131 CO 0.24 0.05 -0.04 0.08 -0.01 0.00 0.00 175.02 175.33 3hct s VAL 132 N 0.33 1.34 0.12 -6.03 1.01 0.97 -1.45 120.40 116.69 3hct s VAL 132 Ca 0.50 -2.08 0.10 0.00 0.00 0.00 0.00 61.98 60.50 3hct s VAL 132 Cb -0.25 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3hct s VAL 132 CO 0.31 -0.38 -0.20 -0.54 0.00 0.00 0.00 175.10 174.29 3hct s LYS 133 N -3.78 1.68 0.24 2.72 1.02 -1.09 -1.02 119.74 119.51 3hct s LYS 133 Ca 0.27 -1.23 -0.31 0.00 0.02 0.00 0.00 55.97 54.72 3hct s LYS 133 Cb 0.04 -2.05 -0.13 0.00 -0.52 0.00 0.00 37.83 35.17 3hct s LYS 133 CO 0.09 0.47 1.48 0.00 -0.92 0.00 0.00 175.35 176.47 3hct n PRO 135 N 2.29 1.97 0.00 0.00 -0.04 -1.26 -4.75 135.00 133.21 3hct n PRO 135 Ca 0.12 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.50 3hct n PRO 135 Cb 0.32 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.70 3hct n PRO 135 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3hct n ASN 136 N 2.89 0.00 -4.72 3.54 2.85 -1.26 -5.16 115.26 113.41 3hct n ASN 136 Ca 0.42 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.54 3hct n ASN 136 Cb 0.62 0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.73 3hct n ASN 136 CO 0.00 0.00 0.00 -1.83 -2.11 0.00 0.00 177.26 173.32 3hct s GLU 137 N -0.79 2.15 0.00 1.20 -1.05 -1.26 -3.92 118.70 115.03 3hct s GLU 137 Ca 0.00 1.85 0.00 0.00 -0.15 0.00 0.00 54.97 56.67 3hct s GLU 137 Cb 0.00 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 31.87 3hct s GLU 137 CO 0.00 -1.85 0.00 0.41 0.95 0.00 0.00 175.26 174.77 3hct n GLY 138 N 0.56 2.95 3.83 -3.83 0.00 -1.26 -5.07 105.19 102.37 3hct n GLY 138 Ca 0.14 -0.84 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 3hct n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hct n LEU 140 N -0.56 0.27 -4.77 0.00 7.94 -1.26 -4.89 117.00 113.74 3hct n LEU 140 Ca 0.06 -0.63 -0.37 0.00 -1.11 0.00 0.00 56.01 53.96 3hct n LEU 140 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3hct n LEU 140 CO 0.38 0.07 0.83 -1.00 -1.11 0.00 0.00 177.39 176.56 3hct s HIS 141 N -0.75 2.75 0.00 1.96 3.76 -1.26 -4.98 115.29 116.77 3hct s HIS 141 Ca 0.00 1.52 0.04 0.00 -0.15 0.00 0.00 55.06 56.48 3hct s HIS 141 Cb 0.00 -3.40 -0.01 0.00 1.11 0.00 0.00 32.58 30.28 3hct s HIS 141 CO 0.01 -1.68 -0.13 0.15 -0.85 0.00 0.00 174.74 172.24 3hct s LYS 142 N -2.90 0.98 0.16 1.40 1.02 -1.26 -3.60 119.74 115.53 3hct s LYS 142 Ca 0.67 -0.52 -0.07 0.00 0.02 0.00 0.00 55.97 56.07 3hct s LYS 142 Cb -0.28 -0.95 -0.01 0.00 -0.52 0.00 0.00 37.83 36.06 3hct s LYS 142 CO 0.34 0.25 0.24 0.00 -0.92 0.00 0.00 175.35 175.26 3hct s MET 143 N -0.51 1.12 0.34 1.68 0.23 -0.18 -4.90 119.30 117.07 3hct s MET 143 Ca 0.04 -1.23 -0.29 0.00 -1.03 0.00 0.00 55.69 53.18 3hct s MET 143 Cb -0.06 0.35 -0.11 0.00 -1.53 0.00 0.00 34.83 33.49 3hct s MET 143 CO -0.00 -0.40 1.46 -1.21 -2.03 0.00 0.00 175.02 172.84 3hct s GLU 144 N -3.99 4.18 0.37 3.16 2.02 -1.26 -0.02 118.70 123.17 3hct s GLU 144 Ca 0.19 2.47 0.20 0.00 0.02 0.00 0.00 54.97 57.84 3hct s GLU 144 Cb 0.04 -3.02 1.25 0.00 0.10 0.00 0.00 34.13 32.50 3hct s GLU 144 CO 0.01 -0.46 1.63 1.25 0.02 0.00 0.00 175.26 177.70 3hct h LEU 145 N 3.63 0.39 -0.53 1.80 5.85 -0.67 0.97 115.31 126.75 3hct h LEU 145 Ca -0.49 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.43 3hct h LEU 145 Cb 1.23 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.44 3hct h LEU 145 CO 0.69 -0.25 0.00 -2.11 -0.34 0.00 0.00 178.44 176.42 3hct n ARG 146 N -5.05 0.13 -0.21 1.25 1.85 -0.78 -2.42 116.66 111.43 3hct n ARG 146 Ca 0.35 0.39 0.07 0.00 -1.00 0.00 0.00 57.85 57.66 3hct n ARG 146 Cb 1.18 -1.76 0.19 0.00 -1.05 0.00 0.00 32.46 31.01 3hct n ARG 146 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 3hct n HIS 147 N -2.00 0.56 0.01 2.89 8.25 0.34 -4.50 115.22 120.76 3hct n HIS 147 Ca 0.02 -0.50 -0.13 0.00 -0.26 0.00 0.00 57.72 56.85 3hct n HIS 147 Cb 0.19 -0.02 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 3hct n HIS 147 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3hct h LEU 148 N 2.45 0.73 -0.30 2.41 5.85 -1.37 -3.28 115.31 121.80 3hct h LEU 148 Ca 0.00 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.32 3hct h LEU 148 Cb 0.78 -0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.52 3hct h LEU 148 CO 0.00 1.24 -0.31 -0.08 -0.34 0.00 0.00 178.44 178.94 3hct h GLU 149 N 0.43 -0.28 0.00 1.25 4.57 -1.79 0.68 114.58 119.44 3hct h GLU 149 Ca -0.03 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3hct h GLU 149 Cb 1.32 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.98 3hct h GLU 149 CO 0.14 -0.19 0.00 -3.47 -1.18 0.00 0.00 179.01 174.31 3hct n ASP 150 N -5.41 0.00 -0.64 1.04 2.03 -1.24 -0.78 116.55 111.56 3hct n ASP 150 Ca -0.00 -0.38 0.02 0.00 0.52 0.00 0.00 54.79 54.95 3hct n ASP 150 Cb 0.33 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.75 3hct n ASP 150 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 3hct n HIS 151 N -0.69 0.00 -0.10 -0.67 -0.00 0.22 -4.53 115.22 109.46 3hct n HIS 151 Ca 0.02 -0.19 -0.13 0.00 0.46 0.00 0.00 57.72 57.88 3hct n HIS 151 Cb 0.01 -0.08 -0.04 0.00 -0.12 0.00 0.00 29.99 29.76 3hct n HIS 151 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 3hct n GLN 152 N -0.05 0.53 -0.21 1.57 -0.06 0.04 -4.64 117.38 114.55 3hct n GLN 152 Ca 0.03 0.28 0.07 0.00 -2.00 0.00 0.00 57.00 55.38 3hct n GLN 152 Cb 0.77 -1.50 0.16 0.00 -4.06 0.00 0.00 30.24 25.62 3hct n GLN 152 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3hct n ALA 153 N -4.25 2.46 -1.61 1.69 0.00 -1.26 -4.66 120.51 112.88 3hct n ALA 153 Ca -0.21 -1.93 -0.37 0.00 0.00 0.00 0.00 53.44 50.93 3hct n ALA 153 Cb 0.56 -0.45 0.06 0.00 0.00 0.00 0.00 19.45 19.62 3hct n ALA 153 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3hct n HIS 154 N -0.54 3.07 -1.26 0.00 -0.00 -1.26 -4.88 115.22 110.34 3hct n HIS 154 Ca 0.14 -2.66 0.00 0.00 -0.00 0.00 0.00 57.72 55.20 3hct n HIS 154 Cb 0.62 -1.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.29 3hct n HIS 154 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hct n GLU 156 N 0.00 0.00 0.00 0.00 1.02 -1.26 -5.18 120.64 115.22 3hct n GLU 156 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 3hct n GLU 156 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 3hct n GLU 156 CO 0.00 0.00 0.00 1.97 1.18 0.00 0.00 177.13 180.28