#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5v s LEU 55 N 0.00 3.49 0.00 0.99 2.01 -1.26 -5.07 118.68 118.84 1a5v s LEU 55 Ca 0.00 -0.08 -0.03 0.00 0.01 0.00 0.00 54.13 54.03 1a5v s LEU 55 Cb 0.00 -1.88 0.01 0.00 0.01 0.00 0.00 46.19 44.33 1a5v s LEU 55 CO 0.00 0.12 0.16 0.61 1.01 0.00 0.00 176.35 178.24 1a5v n GLY 56 N 3.90 1.80 3.87 -3.19 0.00 -1.26 -5.17 105.19 105.14 1a5v n GLY 56 Ca -0.17 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 1a5v n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5v s PRO 57 N -2.02 3.86 0.44 1.61 0.05 -1.26 -5.05 135.00 132.62 1a5v s PRO 57 Ca 0.03 0.53 -0.23 0.00 0.05 0.00 0.00 61.00 61.38 1a5v s PRO 57 Cb -0.01 -2.41 -0.08 0.00 0.05 0.00 0.00 34.50 32.05 1a5v s PRO 57 CO 0.02 0.04 1.12 -0.51 0.05 0.00 0.00 177.00 177.73 1a5v s LEU 58 N -3.52 4.06 -1.06 -3.56 1.43 -1.26 -4.95 118.68 109.83 1a5v s LEU 58 Ca 0.52 2.21 -0.22 0.00 -1.03 0.00 0.00 54.13 55.61 1a5v s LEU 58 Cb -0.10 -4.22 0.06 0.00 0.03 0.00 0.00 46.19 41.96 1a5v s LEU 58 CO 0.26 -0.75 1.48 -1.10 0.23 0.00 0.00 176.35 176.47 1a5v s GLN 59 N -2.61 3.66 -0.08 1.70 -1.52 -1.26 -4.22 119.66 115.33 1a5v s GLN 59 Ca 0.61 -1.30 0.04 0.00 -1.95 0.00 0.00 55.36 52.75 1a5v s GLN 59 Cb -0.26 -5.36 0.00 0.00 -0.22 0.00 0.00 33.01 27.17 1a5v s GLN 59 CO 0.32 -2.19 -0.19 0.42 -0.25 0.00 0.00 175.29 173.40 1a5v s ILE 60 N 4.72 1.61 0.23 1.08 1.01 -1.26 -0.72 121.20 127.86 1a5v s ILE 60 Ca 0.47 -0.77 0.06 0.00 0.00 0.00 0.00 60.65 60.41 1a5v s ILE 60 Cb 0.00 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1a5v s ILE 60 CO -0.07 0.46 0.20 0.26 0.00 0.00 0.00 174.94 175.79 1a5v s TRP 61 N 0.39 3.17 -0.05 3.97 0.51 -0.62 -1.58 118.94 124.73 1a5v s TRP 61 Ca -0.14 -0.07 0.05 0.00 -2.12 0.00 0.00 56.10 53.82 1a5v s TRP 61 Cb -0.16 -1.45 -0.01 0.00 -0.81 0.00 0.00 33.47 31.04 1a5v s TRP 61 CO 0.06 0.51 -0.21 -0.65 -0.51 0.00 0.00 176.95 176.15 1a5v s GLN 62 N -3.68 2.14 0.00 4.98 -0.21 0.11 -0.54 119.66 122.46 1a5v s GLN 62 Ca 0.33 -0.74 0.05 0.00 0.02 0.00 0.00 55.36 55.01 1a5v s GLN 62 Cb -0.09 -1.83 -0.01 0.00 1.00 0.00 0.00 33.01 32.08 1a5v s GLN 62 CO 0.25 0.30 -0.15 0.99 -2.12 0.00 0.00 175.29 174.56 1a5v s THR 63 N -0.03 1.16 0.20 -0.19 2.01 -0.84 -0.59 115.64 117.35 1a5v s THR 63 Ca -0.04 -0.71 -0.13 0.00 0.31 0.00 0.00 61.69 61.12 1a5v s THR 63 Cb -0.13 -0.98 0.00 0.00 0.01 0.00 0.00 72.50 71.41 1a5v s THR 63 CO 0.03 0.26 0.43 -0.62 -0.69 0.00 0.00 174.62 174.03 1a5v s ASP 64 N -0.51 -0.10 -0.00 3.53 2.15 -0.44 -4.48 116.67 116.81 1a5v s ASP 64 Ca 0.05 -0.76 0.04 0.00 0.43 0.00 0.00 52.55 52.31 1a5v s ASP 64 Cb -0.06 0.53 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 1a5v s ASP 64 CO -0.00 -1.03 -0.10 -0.36 -0.17 0.00 0.00 175.17 173.52 1a5v s PHE 65 N -3.95 2.81 0.01 -5.34 0.08 -1.26 -0.97 117.98 109.37 1a5v s PHE 65 Ca 0.16 -0.08 0.00 0.00 0.12 0.00 0.00 56.93 57.13 1a5v s PHE 65 Cb 0.01 -1.60 -0.01 0.00 -0.57 0.00 0.00 43.02 40.85 1a5v s PHE 65 CO 0.02 0.33 -0.03 -0.08 -0.10 0.00 0.00 175.22 175.36 1a5v s THR 66 N -0.94 0.16 -0.14 0.64 -1.32 -0.65 -4.99 115.64 108.40 1a5v s THR 66 Ca 0.16 -0.59 -0.16 0.00 -1.21 0.00 0.00 61.69 59.89 1a5v s THR 66 Cb -0.11 -0.24 -0.04 0.00 -1.51 0.00 0.00 72.50 70.60 1a5v s THR 66 CO 0.06 -0.27 0.37 -0.22 -2.21 0.00 0.00 174.62 172.35 1a5v s LEU 67 N -0.90 4.26 -0.33 9.08 2.96 -1.26 -1.07 118.68 131.42 1a5v s LEU 67 Ca -0.09 0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 54.46 1a5v s LEU 67 Cb -0.06 -2.51 0.11 0.00 0.50 0.00 0.00 46.19 44.23 1a5v s LEU 67 CO -0.00 0.06 0.15 -0.70 -1.32 0.00 0.00 176.35 174.54 1a5v s GLU 68 N 0.50 0.60 0.61 1.98 2.56 0.32 -4.99 118.70 120.29 1a5v s GLU 68 Ca 0.21 -1.10 0.36 0.00 0.00 0.00 0.00 54.97 54.44 1a5v s GLU 68 Cb -0.14 -1.63 2.01 0.00 2.00 0.00 0.00 34.13 36.37 1a5v s GLU 68 CO 0.07 -1.07 2.27 -1.35 -0.56 0.00 0.00 175.26 174.61 1a5v h PRO 69 N 7.75 0.00 0.00 4.30 0.11 -1.97 -1.38 132.00 140.81 1a5v h PRO 69 Ca -0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.02 1a5v h PRO 69 Cb 0.99 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1a5v h PRO 69 CO 0.42 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.22 1a5v h ARG 70 N 0.00 0.00 -0.49 1.05 3.08 -1.94 -2.25 114.38 113.83 1a5v h ARG 70 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1a5v h ARG 70 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1a5v h ARG 70 CO 0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57 1a5v n MET 71 N -2.67 3.15 -1.86 0.04 2.81 -0.52 -1.11 117.12 116.97 1a5v n MET 71 Ca -0.02 -2.55 -0.37 0.00 -1.81 0.00 0.00 57.70 52.94 1a5v n MET 71 Cb 0.08 -1.62 0.04 0.00 -0.71 0.00 0.00 33.22 31.02 1a5v n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5v s ALA 72 N -1.59 2.65 -0.35 3.04 0.00 -0.85 -2.41 121.76 122.26 1a5v s ALA 72 Ca 0.39 1.21 0.27 0.00 0.00 0.00 0.00 51.96 53.83 1a5v s ALA 72 Cb 0.25 -3.53 0.84 0.00 0.00 0.00 0.00 23.12 20.68 1a5v s ALA 72 CO 0.20 -1.34 1.77 -1.00 0.00 0.00 0.00 175.76 175.39 1a5v h PRO 73 N 1.13 0.00 -3.35 0.00 0.13 -1.95 -3.45 132.00 124.52 1a5v h PRO 73 Ca -0.51 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.84 1a5v h PRO 73 Cb 1.31 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.20 1a5v h PRO 73 CO 0.56 0.00 1.15 0.54 -0.23 0.00 0.00 178.00 180.02 1a5v n ARG 74 N -2.78 4.00 -0.05 0.86 1.74 -1.01 -4.58 116.66 114.83 1a5v n ARG 74 Ca 0.03 -4.18 0.12 0.00 -0.77 0.00 0.00 57.85 53.05 1a5v n ARG 74 Cb 0.39 -2.68 0.36 0.00 -1.02 0.00 0.00 32.46 29.51 1a5v n ARG 74 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1a5v n SER 75 N 2.65 2.07 -4.54 0.55 3.41 -1.17 -4.06 113.62 112.54 1a5v n SER 75 Ca 0.31 -1.72 -0.42 0.00 -0.26 0.00 0.00 58.87 56.77 1a5v n SER 75 Cb 0.36 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.17 1a5v n SER 75 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1a5v s TRP 76 N -1.86 3.11 -0.25 7.33 0.52 -0.46 -0.52 118.94 126.81 1a5v s TRP 76 Ca 0.34 0.08 -0.12 0.00 0.02 0.00 0.00 56.10 56.43 1a5v s TRP 76 Cb 0.20 -3.20 -0.05 0.00 -1.15 0.00 0.00 33.47 29.27 1a5v s TRP 76 CO 0.30 -0.74 0.21 -0.51 0.02 0.00 0.00 176.95 176.24 1a5v s LEU 77 N 2.69 4.08 -0.12 2.99 1.43 -0.23 -0.12 118.68 129.40 1a5v s LEU 77 Ca 0.22 0.12 -0.19 0.00 -1.03 0.00 0.00 54.13 53.25 1a5v s LEU 77 Cb -0.15 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1a5v s LEU 77 CO 0.17 -0.01 0.53 0.00 0.23 0.00 0.00 176.35 177.26 1a5v s ALA 78 N 1.43 3.45 -0.07 4.21 0.00 -0.32 -1.64 121.76 128.82 1a5v s ALA 78 Ca 0.09 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.94 1a5v s ALA 78 Cb -0.15 -2.73 0.01 0.00 0.00 0.00 0.00 23.12 20.25 1a5v s ALA 78 CO 0.08 -0.07 -0.16 0.08 0.00 0.00 0.00 175.76 175.69 1a5v s VAL 79 N 0.78 1.39 -0.10 0.00 1.01 -0.14 -2.11 120.40 121.23 1a5v s VAL 79 Ca 0.28 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1a5v s VAL 79 Cb -0.16 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 35.00 1a5v s VAL 79 CO 0.12 0.41 -0.19 -0.89 0.00 0.00 0.00 175.10 174.55 1a5v s THR 80 N 0.51 1.71 -0.19 3.92 2.01 -0.36 -1.33 115.64 121.91 1a5v s THR 80 Ca -0.14 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.01 1a5v s THR 80 Cb -0.16 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1a5v s THR 80 CO 0.05 0.48 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.77 1a5v s VAL 81 N 0.63 4.04 -0.47 3.82 1.01 0.24 -1.49 120.40 128.18 1a5v s VAL 81 Ca -0.13 -0.29 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1a5v s VAL 81 Cb -0.16 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1a5v s VAL 81 CO 0.04 0.45 1.02 -0.62 0.00 0.00 0.00 175.10 175.99 1a5v s ASP 82 N 0.77 6.56 0.56 3.32 -1.08 -0.44 -0.71 116.67 125.65 1a5v s ASP 82 Ca 0.00 0.27 0.34 0.00 -0.52 0.00 0.00 52.55 52.64 1a5v s ASP 82 Cb -0.14 -2.50 1.61 0.00 -1.46 0.00 0.00 42.92 40.43 1a5v s ASP 82 CO 0.02 -1.14 2.09 0.71 0.52 0.00 0.00 175.17 177.37 1a5v h THR 83 N 6.15 0.23 -0.17 1.71 1.35 -1.62 0.38 112.91 120.93 1a5v h THR 83 Ca -0.24 -0.45 -0.20 0.00 -0.55 0.00 0.00 66.41 64.97 1a5v h THR 83 Cb 1.07 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 1a5v h THR 83 CO 1.07 0.06 -0.71 0.00 -0.25 0.00 0.00 175.52 175.69 1a5v h ALA 84 N 1.94 0.43 -0.00 6.62 0.00 -1.74 -3.35 119.26 123.16 1a5v h ALA 84 Ca -0.00 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1a5v h ALA 84 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a5v h ALA 84 CO 0.01 0.70 -0.22 -1.13 0.00 0.00 0.00 179.25 178.60 1a5v n SER 85 N -3.93 0.57 -0.08 0.00 3.41 -1.04 -4.88 113.62 107.67 1a5v n SER 85 Ca -0.06 -0.79 -0.01 0.00 -0.26 0.00 0.00 58.87 57.75 1a5v n SER 85 Cb 0.70 0.78 -0.00 0.00 -0.26 0.00 0.00 64.21 65.43 1a5v n SER 85 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a5v n SER 86 N -0.80 -5.15 -4.75 4.04 7.64 0.13 -4.99 113.62 109.73 1a5v n SER 86 Ca 0.02 0.03 -0.37 0.00 1.01 0.00 0.00 58.87 59.55 1a5v n SER 86 Cb 0.11 -2.74 0.03 0.00 -1.01 0.00 0.00 64.21 60.60 1a5v n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5v s ALA 87 N -1.36 2.69 -0.10 -0.43 0.00 -1.24 -4.75 121.76 116.58 1a5v s ALA 87 Ca 0.00 1.14 0.03 0.00 0.00 0.00 0.00 51.96 53.14 1a5v s ALA 87 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1a5v s ALA 87 CO 0.00 -1.21 -0.22 0.42 0.00 0.00 0.00 175.76 174.75 1a5v s ILE 88 N -1.45 1.90 -0.10 0.00 1.01 -1.26 -1.33 121.20 119.96 1a5v s ILE 88 Ca 0.74 -0.92 0.03 0.00 0.00 0.00 0.00 60.65 60.50 1a5v s ILE 88 Cb -0.35 -1.66 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 1a5v s ILE 88 CO 0.39 0.52 -0.20 -0.69 0.00 0.00 0.00 174.94 174.96 1a5v s VAL 89 N 0.50 2.40 -0.02 2.92 1.01 -0.56 -4.94 120.40 121.72 1a5v s VAL 89 Ca -0.16 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 60.94 1a5v s VAL 89 Cb -0.17 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.27 1a5v s VAL 89 CO 0.06 0.55 -0.07 0.54 0.00 0.00 0.00 175.10 176.18 1a5v s VAL 90 N 0.20 0.63 0.15 2.92 0.11 -1.26 -1.22 120.40 121.93 1a5v s VAL 90 Ca -0.12 -0.30 0.04 0.00 -2.93 0.00 0.00 61.98 58.67 1a5v s VAL 90 Cb -0.16 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.09 1a5v s VAL 90 CO 0.07 0.19 -0.09 0.42 -3.33 0.00 0.00 175.10 172.36 1a5v s THR 91 N 0.05 1.17 0.06 5.04 -4.23 -0.90 -4.99 115.64 111.84 1a5v s THR 91 Ca -0.00 -2.06 0.08 0.00 -1.18 0.00 0.00 61.69 58.53 1a5v s THR 91 Cb -0.06 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 1a5v s THR 91 CO -0.00 -0.71 -0.21 0.00 -0.54 0.00 0.00 174.62 173.16 1a5v s GLN 92 N -3.76 1.87 0.03 3.99 -2.07 -1.26 -1.17 119.66 117.29 1a5v s GLN 92 Ca 0.18 -1.09 -0.02 0.00 -1.82 0.00 0.00 55.36 52.61 1a5v s GLN 92 Cb 0.03 -2.09 -0.02 0.00 -1.09 0.00 0.00 33.01 29.84 1a5v s GLN 92 CO 0.01 0.51 0.00 -1.01 -1.32 0.00 0.00 175.29 173.49 1a5v s HIS 93 N -0.94 0.30 -0.05 9.60 3.76 0.83 -4.98 115.29 123.81 1a5v s HIS 93 Ca 0.14 -0.63 0.12 0.00 -0.15 0.00 0.00 55.06 54.54 1a5v s HIS 93 Cb -0.10 -0.22 -0.05 0.00 1.11 0.00 0.00 32.58 33.32 1a5v s HIS 93 CO 0.05 -0.27 1.36 0.78 -0.85 0.00 0.00 174.74 175.81 1a5v h GLY 94 N 4.11 0.00 -3.80 -2.22 0.00 -1.84 -1.20 103.07 98.12 1a5v h GLY 94 Ca -0.32 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1a5v h GLY 94 CO 0.48 0.00 -0.56 0.50 0.00 0.00 0.00 176.54 176.96 1a5v s ARG 95 N -2.86 0.60 -1.14 4.80 1.81 -1.26 -4.72 118.95 116.18 1a5v s ARG 95 Ca 0.03 -0.88 -0.12 0.00 -1.72 0.00 0.00 55.73 53.03 1a5v s ARG 95 Cb 0.08 0.23 0.21 0.00 -0.45 0.00 0.00 34.95 35.03 1a5v s ARG 95 CO 0.78 -0.14 1.27 0.08 -0.68 0.00 0.00 175.30 176.60 1a5v s VAL 96 N -2.99 5.42 0.35 3.52 1.01 -1.26 -4.76 120.40 121.70 1a5v s VAL 96 Ca -0.02 -2.89 0.09 0.00 0.00 0.00 0.00 61.98 59.16 1a5v s VAL 96 Cb 0.01 -4.77 -0.06 0.00 0.00 0.00 0.00 36.38 31.57 1a5v s VAL 96 CO -0.06 -1.42 0.03 0.42 0.00 0.00 0.00 175.10 174.06 1a5v s THR 97 N 0.46 2.52 0.26 3.92 -4.23 -1.26 -4.68 115.64 112.64 1a5v s THR 97 Ca 0.37 -1.95 -0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1a5v s THR 97 Cb -0.06 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 71.19 1a5v s THR 97 CO -0.04 -0.16 1.83 0.28 -0.54 0.00 0.00 174.62 175.99 1a5v h SER 98 N 1.76 0.82 -0.19 3.99 0.02 -1.89 -0.68 113.55 117.38 1a5v h SER 98 Ca -0.43 0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.47 1a5v h SER 98 Cb 1.25 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 1a5v h SER 98 CO 0.68 0.47 -0.15 0.58 -1.14 0.00 0.00 176.83 177.28 1a5v h VAL 99 N 0.93 1.25 -0.34 2.27 2.07 -1.96 -1.79 116.25 118.68 1a5v h VAL 99 Ca 0.43 -1.14 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 1a5v h VAL 99 Cb 0.35 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 1a5v h VAL 99 CO -0.23 0.37 0.09 0.00 0.02 0.00 0.00 177.57 177.82 1a5v h ALA 100 N 1.30 0.44 -0.57 1.67 0.00 -1.46 -1.68 119.26 118.96 1a5v h ALA 100 Ca 0.09 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1a5v h ALA 100 Cb 0.57 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1a5v h ALA 100 CO 0.04 0.10 0.27 0.00 0.00 0.00 0.00 179.25 179.66 1a5v h ALA 101 N 0.93 0.74 -0.45 0.00 0.00 -1.01 -1.76 119.26 117.70 1a5v h ALA 101 Ca 0.11 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1a5v h ALA 101 Cb 0.29 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1a5v h ALA 101 CO 0.00 -0.10 0.12 1.96 0.00 0.00 0.00 179.25 181.23 1a5v h GLN 102 N 0.50 0.72 -0.77 0.00 4.20 -1.24 -1.20 115.11 117.33 1a5v h GLN 102 Ca 0.27 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.77 1a5v h GLN 102 Cb 0.23 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 27.88 1a5v h GLN 102 CO -0.22 0.71 0.34 0.45 -0.67 0.00 0.00 178.83 179.44 1a5v h HIS 103 N 0.60 1.12 0.50 2.96 3.86 -1.17 -0.68 115.15 122.34 1a5v h HIS 103 Ca 0.14 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1a5v h HIS 103 Cb 0.31 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1a5v h HIS 103 CO 0.02 0.83 -0.24 1.25 0.86 0.00 0.00 177.93 180.65 1a5v h HIS 104 N 1.10 -0.62 -0.66 2.45 -0.00 -1.06 -2.46 115.15 113.90 1a5v h HIS 104 Ca 0.26 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.63 1a5v h HIS 104 Cb 0.16 0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.74 1a5v h HIS 104 CO 0.02 -0.38 0.44 -1.49 -0.00 0.00 0.00 177.93 176.51 1a5v h TRP 105 N -0.68 0.82 -0.91 5.26 6.55 -1.14 0.17 115.95 126.02 1a5v h TRP 105 Ca -0.07 0.02 0.04 0.00 0.95 0.00 0.00 58.89 59.83 1a5v h TRP 105 Cb 0.52 -0.28 -0.05 0.00 -0.86 0.00 0.00 29.16 28.49 1a5v h TRP 105 CO -0.04 0.51 0.60 0.00 -1.05 0.00 0.00 178.44 178.46 1a5v h ALA 106 N 1.59 1.42 -0.14 1.49 0.00 -0.93 0.16 119.26 122.86 1a5v h ALA 106 Ca 0.24 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1a5v h ALA 106 Cb -0.08 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.38 1a5v h ALA 106 CO -0.05 0.49 -0.23 1.15 0.00 0.00 0.00 179.25 180.60 1a5v h THR 107 N 1.14 1.37 -0.98 0.00 2.02 -0.90 -2.74 112.91 112.82 1a5v h THR 107 Ca 0.36 -1.48 0.01 0.00 0.77 0.00 0.00 66.41 66.07 1a5v h THR 107 Cb 0.01 2.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.38 1a5v h THR 107 CO -0.11 0.44 0.64 0.00 0.37 0.00 0.00 175.52 176.86 1a5v h ALA 108 N 0.56 1.28 -0.60 6.16 0.00 -0.50 -1.92 119.26 124.24 1a5v h ALA 108 Ca 0.01 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1a5v h ALA 108 Cb 0.81 -0.40 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1a5v h ALA 108 CO 0.05 0.66 0.14 0.82 0.00 0.00 0.00 179.25 180.92 1a5v h ILE 109 N 1.34 1.24 -0.18 0.00 2.04 -0.65 0.38 117.51 121.67 1a5v h ILE 109 Ca 0.36 -0.88 -0.07 0.00 1.00 0.00 0.00 64.86 65.27 1a5v h ILE 109 Cb -0.14 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 1a5v h ILE 109 CO -0.08 0.33 -0.18 0.00 0.00 0.00 0.00 178.15 178.23 1a5v h ALA 110 N 1.25 1.35 0.14 1.87 0.00 -1.08 0.22 119.26 123.03 1a5v h ALA 110 Ca 0.19 -0.26 -0.34 0.00 0.00 0.00 0.00 54.91 54.50 1a5v h ALA 110 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1a5v h ALA 110 CO 0.00 0.44 -1.78 0.28 0.00 0.00 0.00 179.25 178.19 1a5v h VAL 111 N 0.29 0.82 0.00 0.00 2.07 -0.63 -3.40 116.25 115.39 1a5v h VAL 111 Ca 0.05 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.17 1a5v h VAL 111 Cb 0.49 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.89 1a5v h VAL 111 CO 0.03 0.83 -1.42 0.18 0.02 0.00 0.00 177.57 177.21 1a5v n LEU 112 N -3.64 0.14 0.00 2.57 4.77 0.13 -5.10 117.00 115.86 1a5v n LEU 112 Ca -0.28 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.59 1a5v n LEU 112 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1a5v n LEU 112 CO 0.45 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1a5v n GLY 113 N 1.63 0.16 3.65 -0.72 0.00 0.78 -4.93 105.19 105.75 1a5v n GLY 113 Ca -0.01 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 1a5v n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5v s ARG 114 N -1.09 4.21 0.76 1.61 3.52 -1.26 -4.41 118.95 122.29 1a5v s ARG 114 Ca 0.00 1.07 -0.12 0.00 -0.13 0.00 0.00 55.73 56.55 1a5v s ARG 114 Cb 0.00 -3.64 0.05 0.00 -1.56 0.00 0.00 34.95 29.79 1a5v s ARG 114 CO 0.00 -0.55 1.13 -1.25 -0.81 0.00 0.00 175.30 173.82 1a5v s PRO 115 N 2.94 2.41 0.06 5.12 0.04 -1.26 -4.99 135.00 139.32 1a5v s PRO 115 Ca 0.38 0.34 -0.13 0.00 0.04 0.00 0.00 61.00 61.63 1a5v s PRO 115 Cb -0.15 -1.98 -0.28 0.00 0.04 0.00 0.00 34.50 32.12 1a5v s PRO 115 CO 0.07 -1.33 1.11 0.87 0.04 0.00 0.00 177.00 177.76 1a5v h LYS 116 N -0.87 0.55 -3.06 4.56 1.79 -1.31 -3.45 116.57 114.78 1a5v h LYS 116 Ca -0.46 -0.77 -0.09 0.00 -2.18 0.00 0.00 60.65 57.14 1a5v h LYS 116 Cb 1.28 0.26 -0.18 0.00 -1.58 0.00 0.00 32.23 32.02 1a5v h LYS 116 CO 0.64 1.35 -0.19 0.00 -1.08 0.00 0.00 179.45 180.17 1a5v s ALA 117 N -2.89 -0.87 -0.11 3.86 0.00 -1.19 -1.70 121.76 118.86 1a5v s ALA 117 Ca -0.08 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.18 1a5v s ALA 117 Cb 0.06 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.42 1a5v s ALA 117 CO 0.92 -0.37 -0.18 0.42 0.00 0.00 0.00 175.76 176.55 1a5v s ILE 118 N -2.05 1.68 -0.21 0.00 1.01 -0.09 -1.59 121.20 119.95 1a5v s ILE 118 Ca -0.08 -0.77 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 1a5v s ILE 118 Cb -0.02 -1.50 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1a5v s ILE 118 CO 0.00 0.48 0.29 -0.54 0.00 0.00 0.00 174.94 175.17 1a5v s LYS 119 N 0.75 4.15 0.34 2.79 1.02 0.29 -0.53 119.74 128.56 1a5v s LYS 119 Ca -0.11 0.01 0.03 0.00 0.02 0.00 0.00 55.97 55.92 1a5v s LYS 119 Cb -0.16 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.59 1a5v s LYS 119 CO 0.02 0.05 0.11 0.95 -0.92 0.00 0.00 175.35 175.56 1a5v s THR 120 N 1.06 0.71 0.00 2.17 -4.23 -0.85 -1.99 115.64 112.49 1a5v s THR 120 Ca 0.14 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1a5v s THR 120 Cb -0.14 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.15 1a5v s THR 120 CO 0.06 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.24 1a5v n ASP 121 N -0.94 0.00 -1.97 3.99 5.68 -1.26 -4.10 116.55 117.94 1a5v n ASP 121 Ca -0.03 -0.74 -0.06 0.00 -0.50 0.00 0.00 54.79 53.46 1a5v n ASP 121 Cb 0.66 0.00 0.29 0.00 -1.14 0.00 0.00 41.12 40.93 1a5v n ASP 121 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1a5v n ASN 122 N -2.22 4.72 -4.54 -1.12 5.03 -1.26 -4.85 115.26 111.01 1a5v n ASN 122 Ca 0.00 -3.16 -0.41 0.00 0.87 0.00 0.00 54.58 51.87 1a5v n ASN 122 Cb 0.00 -0.74 0.01 0.00 -1.02 0.00 0.00 39.78 38.03 1a5v n ASN 122 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1a5v n GLY 123 N -0.13 -0.78 0.25 7.41 0.00 -1.26 -4.76 105.19 105.92 1a5v n GLY 123 Ca 0.40 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 1a5v n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1a5v h SER 124 N 1.13 0.45 -0.03 1.61 4.64 -1.95 -0.90 113.55 118.49 1a5v h SER 124 Ca -0.43 -0.11 0.01 0.00 -0.47 0.00 0.00 61.79 60.79 1a5v h SER 124 Cb 1.37 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1a5v h SER 124 CO 0.54 0.60 0.08 0.00 -0.87 0.00 0.00 176.83 177.17 1a5v n PHE 126 N -3.36 0.40 0.60 0.00 3.72 -0.40 -4.30 117.46 114.12 1a5v n PHE 126 Ca -0.02 0.13 0.08 0.00 -0.05 0.00 0.00 57.45 57.59 1a5v n PHE 126 Cb 0.15 -0.87 0.08 0.00 -0.94 0.00 0.00 39.48 37.90 1a5v n PHE 126 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1a5v n THR 127 N -2.64 0.08 -0.87 4.37 -2.24 -0.89 -4.67 114.28 107.42 1a5v n THR 127 Ca -0.14 -0.54 -0.30 0.00 -2.27 0.00 0.00 64.05 60.80 1a5v n THR 127 Cb 0.83 1.27 0.17 0.00 -2.10 0.00 0.00 70.33 70.49 1a5v n THR 127 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a5v s SER 128 N -1.31 2.83 0.12 3.42 1.04 -0.72 -4.85 113.70 114.24 1a5v s SER 128 Ca 0.20 1.81 -0.16 0.00 0.48 0.00 0.00 55.95 58.28 1a5v s SER 128 Cb 0.14 -2.40 -0.02 0.00 0.10 0.00 0.00 66.02 63.83 1a5v s SER 128 CO 0.20 -3.10 1.61 0.50 0.98 0.00 0.00 173.24 173.44 1a5v h LYS 129 N -1.86 0.61 -0.54 4.02 3.11 -1.95 -1.13 116.57 118.82 1a5v h LYS 129 Ca -0.49 -0.15 0.11 0.00 -2.81 0.00 0.00 60.65 57.30 1a5v h LYS 129 Cb 1.28 -0.08 -0.09 0.00 -1.00 0.00 0.00 32.23 32.35 1a5v h LYS 129 CO 0.48 0.66 0.02 1.03 -2.81 0.00 0.00 179.45 178.83 1a5v h SER 130 N 0.47 -0.19 0.37 4.20 0.87 -1.97 0.35 113.55 117.63 1a5v h SER 130 Ca 0.12 0.13 -0.20 0.00 -1.23 0.00 0.00 61.79 60.61 1a5v h SER 130 Cb 0.33 0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1a5v h SER 130 CO 0.00 -0.07 -0.82 0.74 -0.53 0.00 0.00 176.83 176.15 1a5v h THR 131 N 0.14 1.41 -0.56 2.23 2.02 -1.80 -0.03 112.91 116.32 1a5v h THR 131 Ca 0.28 -2.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.12 1a5v h THR 131 Cb 0.43 2.28 -0.03 0.00 -1.74 0.00 0.00 68.15 69.09 1a5v h THR 131 CO -0.44 0.69 0.33 0.03 0.37 0.00 0.00 175.52 176.50 1a5v h ARG 132 N 0.21 0.77 -0.27 6.66 3.08 -0.79 -1.08 114.38 122.97 1a5v h ARG 132 Ca -0.05 -0.08 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 1a5v h ARG 132 Cb 1.42 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.30 1a5v h ARG 132 CO 0.14 0.57 -0.43 1.49 -1.07 0.00 0.00 179.97 180.67 1a5v h GLU 133 N 0.76 0.68 -0.53 0.04 4.57 -0.71 -2.25 114.58 117.14 1a5v h GLU 133 Ca 0.20 -0.36 -0.02 0.00 -1.18 0.00 0.00 59.36 58.00 1a5v h GLU 133 Cb 0.00 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1a5v h GLU 133 CO -0.04 0.97 0.26 2.35 -1.18 0.00 0.00 179.01 181.37 1a5v h TRP 134 N 0.55 0.76 -0.38 0.92 7.01 -0.59 0.12 115.95 124.34 1a5v h TRP 134 Ca 0.04 -0.04 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 1a5v h TRP 134 Cb 0.96 -0.24 -0.02 0.00 -2.10 0.00 0.00 29.16 27.77 1a5v h TRP 134 CO 0.05 0.59 -0.10 -0.07 -2.79 0.00 0.00 178.44 176.11 1a5v h LEU 135 N 0.71 0.65 -0.49 0.65 3.38 -1.17 -2.81 115.31 116.23 1a5v h LEU 135 Ca 0.18 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1a5v h LEU 135 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1a5v h LEU 135 CO -0.02 0.78 -0.35 0.00 0.09 0.00 0.00 178.44 178.94 1a5v h ALA 136 N 1.28 0.67 -0.91 1.53 0.00 -1.01 -0.69 119.26 120.13 1a5v h ALA 136 Ca 0.11 -0.44 0.13 0.00 0.00 0.00 0.00 54.91 54.71 1a5v h ALA 136 Cb 0.53 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1a5v h ALA 136 CO 0.03 0.67 0.58 -0.09 0.00 0.00 0.00 179.25 180.45 1a5v h ARG 137 N 0.71 0.75 0.00 0.00 2.43 -0.74 -1.92 114.38 115.61 1a5v h ARG 137 Ca 0.07 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1a5v h ARG 137 Cb 0.92 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1a5v h ARG 137 CO 0.09 0.50 -0.44 0.91 -1.51 0.00 0.00 179.97 179.51 1a5v n TRP 138 N -4.57 0.61 -2.07 2.20 7.02 -0.91 -4.95 117.44 114.77 1a5v n TRP 138 Ca 0.17 0.18 -0.03 0.00 -1.02 0.00 0.00 57.50 56.80 1a5v n TRP 138 Cb 0.43 -0.71 -0.00 0.00 -2.42 0.00 0.00 31.31 28.61 1a5v n TRP 138 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1a5v n GLY 139 N 1.34 0.27 3.54 6.99 0.00 -0.38 -5.03 105.19 111.92 1a5v n GLY 139 Ca 0.04 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 1a5v n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5v s ILE 140 N -2.16 4.58 0.42 -0.61 1.01 -0.54 -4.98 121.20 118.92 1a5v s ILE 140 Ca 0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 60.65 60.31 1a5v s ILE 140 Cb -0.00 -3.11 -0.08 0.00 0.01 0.00 0.00 42.46 39.28 1a5v s ILE 140 CO 0.00 0.39 1.16 0.00 0.00 0.00 0.00 174.94 176.49 1a5v s ALA 141 N 1.05 3.10 -0.09 9.38 0.00 -0.69 -4.49 121.76 130.02 1a5v s ALA 141 Ca 0.04 0.93 0.04 0.00 0.00 0.00 0.00 51.96 52.97 1a5v s ALA 141 Cb -0.14 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1a5v s ALA 141 CO 0.03 -0.53 -0.22 -1.58 0.00 0.00 0.00 175.76 173.46 1a5v s HIS 142 N -1.47 2.36 0.30 0.00 2.46 -1.26 -0.91 115.29 116.77 1a5v s HIS 142 Ca 0.59 -0.94 0.05 0.00 0.47 0.00 0.00 55.06 55.22 1a5v s HIS 142 Cb -0.29 -1.59 -0.03 0.00 -0.13 0.00 0.00 32.58 30.53 1a5v s HIS 142 CO 0.37 -0.38 0.22 -0.08 -2.47 0.00 0.00 174.74 172.39 1a5v s THR 143 N 0.37 0.08 0.16 0.89 -1.32 0.31 -4.95 115.64 111.18 1a5v s THR 143 Ca -0.17 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.34 1a5v s THR 143 Cb -0.17 -2.49 -0.01 0.00 -1.51 0.00 0.00 72.50 68.31 1a5v s THR 143 CO 0.08 0.00 0.12 1.07 -2.21 0.00 0.00 174.62 173.68 1a5v n THR 144 N -0.56 0.00 -1.73 5.08 5.66 -1.26 -2.02 114.28 119.45 1a5v n THR 144 Ca 0.05 -1.12 -0.36 0.00 -3.05 0.00 0.00 64.05 59.57 1a5v n THR 144 Cb 0.64 0.53 0.06 0.00 -1.55 0.00 0.00 70.33 70.01 1a5v n THR 144 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1a5v s GLY 145 N -2.08 2.64 0.23 1.09 0.00 -1.26 -4.90 107.32 103.05 1a5v s GLY 145 Ca 0.17 1.03 -0.23 0.00 0.00 0.00 0.00 44.72 45.69 1a5v s GLY 145 CO 0.12 1.44 0.80 -0.26 0.00 0.00 0.00 173.10 175.19 1a5v s ILE 146 N -1.67 4.42 0.00 0.90 -4.36 -1.26 -5.09 121.20 114.13 1a5v s ILE 146 Ca 0.78 1.54 0.00 0.00 -0.26 0.00 0.00 60.65 62.71 1a5v s ILE 146 Cb -0.32 -3.98 0.00 0.00 1.25 0.00 0.00 42.46 39.41 1a5v s ILE 146 CO 0.39 0.28 0.00 -0.81 0.24 0.00 0.00 174.94 175.04 1a5v n PRO 147 N 0.92 1.11 -2.28 0.37 -0.04 -1.26 -4.27 135.00 129.54 1a5v n PRO 147 Ca -0.02 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.42 1a5v n PRO 147 Cb 0.50 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.97 1a5v n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5v n GLY 148 N 1.65 0.43 2.81 0.55 0.00 -1.26 -3.52 105.19 105.85 1a5v n GLY 148 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.51 1a5v n GLY 148 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a5v n ASN 149 N -0.79 -5.64 -4.83 1.61 4.13 -1.26 -4.95 115.26 103.52 1a5v n ASN 149 Ca -0.03 0.17 -0.33 0.00 1.68 0.00 0.00 54.58 56.07 1a5v n ASN 149 Cb 0.52 -3.73 -0.06 0.00 -1.54 0.00 0.00 39.78 34.96 1a5v n ASN 149 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1a5v s SER 150 N -2.27 6.85 0.53 6.41 0.01 -1.23 -5.08 113.70 118.92 1a5v s SER 150 Ca 0.00 1.51 -0.00 0.00 1.31 0.00 0.00 55.95 58.77 1a5v s SER 150 Cb 0.00 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.78 1a5v s SER 150 CO 0.00 -0.31 0.09 0.00 0.41 0.00 0.00 173.24 173.43 1a5v n GLN 151 N -0.59 0.42 0.00 12.44 6.02 -1.26 -4.85 117.38 129.56 1a5v n GLN 151 Ca 0.06 -0.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 1a5v n GLN 151 Cb 0.54 -0.07 0.00 0.00 1.02 0.00 0.00 30.24 31.73 1a5v n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a5v n GLY 152 N 4.32 -2.56 2.81 1.08 0.00 -1.26 -4.58 105.19 105.00 1a5v n GLY 152 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 1a5v n GLY 152 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a5v s GLN 153 N -0.29 0.34 0.11 1.61 1.11 -1.26 -4.42 119.66 116.86 1a5v s GLN 153 Ca 0.00 -0.00 -0.17 0.00 0.01 0.00 0.00 55.36 55.20 1a5v s GLN 153 Cb 0.00 -0.58 -0.05 0.00 -1.01 0.00 0.00 33.01 31.37 1a5v s GLN 153 CO 0.00 -0.98 1.55 0.00 0.01 0.00 0.00 175.29 175.87 1a5v h ALA 154 N 8.23 0.44 -0.44 6.09 0.00 -1.99 -2.63 119.26 128.96 1a5v h ALA 154 Ca -0.13 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.64 1a5v h ALA 154 Cb 1.10 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1a5v h ALA 154 CO 0.31 0.18 0.01 0.52 0.00 0.00 0.00 179.25 180.27 1a5v h MET 155 N 0.37 0.12 0.00 0.00 2.86 -1.99 0.19 114.93 116.48 1a5v h MET 155 Ca 0.09 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 1a5v h MET 155 Cb 0.42 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1a5v h MET 155 CO 0.01 0.08 -0.39 -0.24 1.06 0.00 0.00 176.91 177.44 1a5v h VAL 156 N 0.13 1.26 -0.26 -2.22 3.04 -1.88 -1.52 116.25 114.79 1a5v h VAL 156 Ca 0.22 -1.35 -0.15 0.00 -1.01 0.00 0.00 66.70 64.41 1a5v h VAL 156 Cb 0.31 1.73 -0.01 0.00 -2.01 0.00 0.00 31.29 31.31 1a5v h VAL 156 CO -0.35 0.38 -0.44 -0.33 -1.01 0.00 0.00 177.57 175.82 1a5v h GLU 157 N 0.00 0.66 -0.46 4.17 4.39 -0.89 -1.42 114.58 121.03 1a5v h GLU 157 Ca -0.00 -0.36 -0.03 0.00 0.34 0.00 0.00 59.36 59.30 1a5v h GLU 157 Cb 0.70 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.35 1a5v h GLU 157 CO 0.05 0.97 0.16 -0.09 -1.16 0.00 0.00 179.01 178.94 1a5v h ARG 158 N 0.53 0.71 -0.50 2.33 2.43 -0.71 -2.63 114.38 116.54 1a5v h ARG 158 Ca 0.04 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 1a5v h ARG 158 Cb 0.98 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 1a5v h ARG 158 CO 0.09 0.67 0.32 0.00 -1.51 0.00 0.00 179.97 179.54 1a5v h ALA 159 N 1.01 1.62 -0.30 2.80 0.00 -1.10 -1.68 119.26 121.61 1a5v h ALA 159 Ca 0.15 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1a5v h ALA 159 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1a5v h ALA 159 CO -0.01 0.34 0.20 -0.91 0.00 0.00 0.00 179.25 178.87 1a5v h ASN 160 N 0.68 0.34 0.00 0.00 2.35 -0.90 -0.77 115.58 117.27 1a5v h ASN 160 Ca 0.18 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1a5v h ASN 160 Cb -0.06 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.23 1a5v h ASN 160 CO -0.04 0.25 -0.00 0.03 -1.65 0.00 0.00 177.43 176.02 1a5v h ARG 161 N 0.41 -0.00 -1.00 0.81 3.08 -1.28 -1.63 114.38 114.76 1a5v h ARG 161 Ca 0.11 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.19 1a5v h ARG 161 Cb -0.04 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 1a5v h ARG 161 CO -0.03 0.19 0.66 -0.07 -1.07 0.00 0.00 179.97 179.66 1a5v h LEU 162 N -0.20 1.12 -0.15 3.04 3.38 -1.17 -1.18 115.31 120.16 1a5v h LEU 162 Ca -0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1a5v h LEU 162 Cb 0.20 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1a5v h LEU 162 CO 0.00 0.79 0.06 0.25 0.09 0.00 0.00 178.44 179.63 1a5v h LEU 163 N 1.32 0.20 -1.07 1.67 5.85 -1.06 -0.03 115.31 122.18 1a5v h LEU 163 Ca 0.38 -0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.87 1a5v h LEU 163 Cb -0.08 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1a5v h LEU 163 CO -0.10 0.31 -0.10 0.11 -0.34 0.00 0.00 178.44 178.32 1a5v h LYS 164 N 0.08 0.55 -0.18 1.25 1.57 -1.05 -0.37 116.57 118.42 1a5v h LYS 164 Ca 0.05 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1a5v h LYS 164 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1a5v h LYS 164 CO -0.00 0.65 0.09 -0.44 -0.57 0.00 0.00 179.45 179.17 1a5v h ASP 165 N 0.51 0.24 -0.62 0.86 3.32 -0.99 -2.11 116.42 117.64 1a5v h ASP 165 Ca 0.10 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 1a5v h ASP 165 Cb 0.48 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 1a5v h ASP 165 CO 0.03 0.29 0.23 0.50 -1.72 0.00 0.00 179.24 178.57 1a5v h LYS 166 N 0.16 0.93 -0.50 3.56 1.63 -0.59 -1.24 116.57 120.53 1a5v h LYS 166 Ca 0.06 -0.18 0.01 0.00 -0.85 0.00 0.00 60.65 59.70 1a5v h LYS 166 Cb 0.12 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 1a5v h LYS 166 CO -0.01 0.80 0.31 0.82 -3.45 0.00 0.00 179.45 177.93 1a5v h ILE 167 N 0.86 1.09 -0.33 2.00 2.04 -1.00 -1.77 117.51 120.40 1a5v h ILE 167 Ca 0.20 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.84 1a5v h ILE 167 Cb 0.23 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 1a5v h ILE 167 CO -0.01 0.12 0.20 -0.09 0.00 0.00 0.00 178.15 178.36 1a5v h ARG 168 N 0.63 0.45 -0.51 2.37 2.43 -1.24 0.19 114.38 118.71 1a5v h ARG 168 Ca 0.19 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1a5v h ARG 168 Cb -0.03 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1a5v h ARG 168 CO -0.07 0.34 0.32 0.28 -1.51 0.00 0.00 179.97 179.34 1a5v h VAL 169 N 0.43 1.14 -0.29 0.20 2.07 -1.12 -1.36 116.25 117.33 1a5v h VAL 169 Ca 0.12 -0.30 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 1a5v h VAL 169 Cb 0.01 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1a5v h VAL 169 CO -0.02 0.14 -0.27 -0.07 0.02 0.00 0.00 177.57 177.37 1a5v h LEU 170 N 0.69 0.74 -0.26 2.57 3.38 -1.21 -1.96 115.31 119.25 1a5v h LEU 170 Ca 0.18 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 1a5v h LEU 170 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1a5v h LEU 170 CO -0.04 1.05 0.15 0.00 0.09 0.00 0.00 178.44 179.69 1a5v h ALA 171 N 0.71 0.33 0.00 1.53 0.00 -0.84 -2.02 119.26 118.97 1a5v h ALA 171 Ca 0.05 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1a5v h ALA 171 Cb 0.83 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1a5v h ALA 171 CO 0.07 -0.15 -0.37 0.93 0.00 0.00 0.00 179.25 179.73 1a5v h GLU 172 N 0.32 0.00 -0.24 0.00 5.08 -1.24 0.20 114.58 118.69 1a5v h GLU 172 Ca 0.09 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1a5v h GLU 172 Cb 0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1a5v h GLU 172 CO -0.02 0.37 -0.25 0.78 -1.00 0.00 0.00 179.01 178.89 1a5v h GLY 173 N 1.12 0.49 0.85 -3.84 0.00 -1.01 -1.79 103.07 98.89 1a5v h GLY 173 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 46.93 1a5v h GLY 173 CO 0.05 0.36 -0.00 1.22 0.00 0.00 0.00 176.54 178.16 1a5v n ASP 174 N -4.13 0.22 0.00 0.19 8.00 -0.79 -4.91 116.55 115.13 1a5v n ASP 174 Ca -0.00 -0.98 0.00 0.00 0.71 0.00 0.00 54.79 54.51 1a5v n ASP 174 Cb 0.40 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1a5v n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5v n GLY 175 N 1.06 0.73 3.28 0.44 0.00 -0.67 -5.03 105.19 104.99 1a5v n GLY 175 Ca 0.22 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 1a5v n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a5v s PHE 176 N -2.00 3.33 -0.35 1.61 0.08 -0.00 -4.92 117.98 115.73 1a5v s PHE 176 Ca 0.00 -1.51 0.22 0.00 0.12 0.00 0.00 56.93 55.76 1a5v s PHE 176 Cb 0.00 -3.47 0.21 0.00 -0.57 0.00 0.00 43.02 39.19 1a5v s PHE 176 CO 0.00 -0.96 1.44 0.52 -0.10 0.00 0.00 175.22 176.13 1a5v h MET 177 N 8.63 0.00 0.00 0.44 2.86 -1.91 -3.27 114.93 121.69 1a5v h MET 177 Ca -0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.39 1a5v h MET 177 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.75 1a5v h MET 177 CO 0.91 0.08 0.00 1.63 1.06 0.00 0.00 176.91 180.59 1a5v n LYS 178 N -3.02 0.00 -2.62 1.72 4.76 -1.26 -5.03 118.16 112.71 1a5v n LYS 178 Ca 0.02 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.06 1a5v n LYS 178 Cb 0.57 0.00 -0.05 0.00 -1.84 0.00 0.00 35.03 33.71 1a5v n LYS 178 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1a5v s ARG 179 N 2.59 4.74 0.03 1.97 3.52 -1.26 -4.75 118.95 125.79 1a5v s ARG 179 Ca 0.00 1.63 -0.30 0.00 -0.13 0.00 0.00 55.73 56.93 1a5v s ARG 179 Cb 0.00 -3.25 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 1a5v s ARG 179 CO 0.00 0.34 1.09 0.42 -0.81 0.00 0.00 175.30 176.34 1a5v s ILE 180 N -1.01 4.44 0.18 4.11 1.01 -0.27 -4.97 121.20 124.69 1a5v s ILE 180 Ca 0.43 1.75 -0.32 0.00 0.00 0.00 0.00 60.65 62.51 1a5v s ILE 180 Cb -0.28 -4.12 -0.16 0.00 0.01 0.00 0.00 42.46 37.91 1a5v s ILE 180 CO 0.36 0.14 1.13 -2.65 0.00 0.00 0.00 174.94 173.91 1a5v n PRO 181 N 3.91 1.12 -0.34 2.79 -0.02 -1.26 -4.80 135.00 136.40 1a5v n PRO 181 Ca 0.07 0.40 0.17 0.00 -2.02 0.00 0.00 63.50 62.13 1a5v n PRO 181 Cb 0.49 -1.87 0.39 0.00 -0.02 0.00 0.00 33.50 32.48 1a5v n PRO 181 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1a5v h THR 182 N 2.56 0.57 0.00 3.45 2.02 -1.94 0.24 112.91 119.81 1a5v h THR 182 Ca -0.43 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.55 1a5v h THR 182 Cb 1.35 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1a5v h THR 182 CO 0.69 0.11 0.00 -1.54 0.37 0.00 0.00 175.52 175.15 1a5v n SER 183 N -4.82 0.00 0.00 4.18 3.41 -1.26 -2.45 113.62 112.68 1a5v n SER 183 Ca 0.26 0.50 0.11 0.00 -0.26 0.00 0.00 58.87 59.47 1a5v n SER 183 Cb 0.72 -0.50 -0.09 0.00 -0.26 0.00 0.00 64.21 64.08 1a5v n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a5v n LYS 184 N -1.50 0.30 0.04 4.33 4.01 0.06 -4.66 118.16 120.74 1a5v n LYS 184 Ca 0.05 -0.07 -0.12 0.00 -0.51 0.00 0.00 58.31 57.66 1a5v n LYS 184 Cb 0.26 -1.53 -0.08 0.00 -0.51 0.00 0.00 35.03 33.16 1a5v n LYS 184 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1a5v h GLN 185 N 0.00 -0.04 -0.54 1.97 4.20 -1.35 -2.79 115.11 116.56 1a5v h GLN 185 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1a5v h GLN 185 Cb 0.73 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.44 1a5v h GLN 185 CO 0.00 0.08 0.08 0.78 -0.67 0.00 0.00 178.83 179.10 1a5v h GLY 186 N -0.14 0.64 1.70 3.46 0.00 -1.83 -0.29 103.07 106.60 1a5v h GLY 186 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 1a5v h GLY 186 CO 0.01 -0.11 -0.63 0.83 0.00 0.00 0.00 176.54 176.63 1a5v h GLU 187 N 0.21 0.31 -0.44 4.80 5.08 -1.87 -1.80 114.58 120.86 1a5v h GLU 187 Ca 0.28 -0.22 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1a5v h GLU 187 Cb 0.40 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1a5v h GLU 187 CO -0.39 0.84 -0.22 1.25 -1.00 0.00 0.00 179.01 179.50 1a5v h LEU 188 N 0.22 0.95 -0.45 1.33 6.46 -1.27 0.05 115.31 122.59 1a5v h LEU 188 Ca -0.01 -0.40 -0.03 0.00 -0.12 0.00 0.00 57.88 57.32 1a5v h LEU 188 Cb 1.16 -0.26 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 1a5v h LEU 188 CO 0.10 1.14 0.17 0.25 -0.62 0.00 0.00 178.44 179.49 1a5v h LEU 189 N 0.75 0.63 -1.14 2.25 5.85 -0.99 -0.51 115.31 122.14 1a5v h LEU 189 Ca 0.10 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 1a5v h LEU 189 Cb 0.79 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1a5v h LEU 189 CO 0.06 0.63 0.27 0.00 -0.34 0.00 0.00 178.44 179.06 1a5v h ALA 190 N 1.02 1.33 -0.41 1.25 0.00 -1.24 -1.14 119.26 120.07 1a5v h ALA 190 Ca 0.15 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.80 1a5v h ALA 190 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1a5v h ALA 190 CO -0.01 0.51 -0.21 -0.22 0.00 0.00 0.00 179.25 179.33 1a5v h LYS 191 N 0.86 0.81 -0.56 0.00 3.64 -0.42 -1.50 116.57 119.41 1a5v h LYS 191 Ca 0.21 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1a5v h LYS 191 Cb 0.13 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.88 1a5v h LYS 191 CO -0.02 0.94 0.33 0.00 -2.27 0.00 0.00 179.45 178.43 1a5v h ALA 192 N 1.06 0.71 -0.44 5.00 0.00 -0.67 -2.18 119.26 122.75 1a5v h ALA 192 Ca 0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1a5v h ALA 192 Cb 0.72 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1a5v h ALA 192 CO 0.06 0.21 0.06 1.98 0.00 0.00 0.00 179.25 181.55 1a5v h MET 193 N 0.75 0.74 -0.26 0.00 1.85 -1.05 -1.79 114.93 115.18 1a5v h MET 193 Ca 0.20 -0.21 0.03 0.00 -0.61 0.00 0.00 59.70 59.11 1a5v h MET 193 Cb 0.00 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 31.92 1a5v h MET 193 CO -0.04 0.77 0.08 -0.92 -0.40 0.00 0.00 176.91 176.41 1a5v h TYR 194 N 0.59 0.15 -0.48 1.39 3.20 -1.23 -1.87 116.97 118.73 1a5v h TYR 194 Ca 0.13 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 1a5v h TYR 194 Cb 0.41 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 1a5v h TYR 194 CO 0.03 0.07 0.06 0.00 -1.64 0.00 0.00 178.16 176.68 1a5v h ALA 195 N 1.16 1.22 0.00 1.82 0.00 -1.26 0.26 119.26 122.46 1a5v h ALA 195 Ca 0.11 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1a5v h ALA 195 Cb 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1a5v h ALA 195 CO -0.12 0.53 -0.23 -0.07 0.00 0.00 0.00 179.25 179.35 1a5v h LEU 196 N 0.71 0.00 0.00 0.00 3.38 -1.07 -3.40 115.31 114.93 1a5v h LEU 196 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1a5v h LEU 196 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1a5v h LEU 196 CO 0.01 0.23 -0.69 0.59 0.09 0.00 0.00 178.44 178.67 1a5v n ASN 197 N -3.37 1.37 -4.60 -0.43 3.02 -0.73 -4.90 115.26 105.62 1a5v n ASN 197 Ca 0.00 0.23 -0.36 0.00 -0.03 0.00 0.00 54.58 54.42 1a5v n ASN 197 Cb 0.44 -0.65 -0.10 0.00 -0.61 0.00 0.00 39.78 38.85 1a5v n ASN 197 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1a5v s HIS 198 N -2.34 3.23 -1.28 3.10 0.09 0.86 -5.06 115.29 113.88 1a5v s HIS 198 Ca -0.20 0.03 0.10 0.00 -0.00 0.00 0.00 55.06 54.99 1a5v s HIS 198 Cb 0.03 -2.23 0.08 0.00 -0.00 0.00 0.00 32.58 30.46 1a5v s HIS 198 CO 0.30 -0.04 0.83 1.19 -0.00 0.00 0.00 174.74 177.01