#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a5w n LEU 55 N 0.00 0.14 0.00 0.99 -0.00 -1.26 -4.56 117.00 112.31 1a5w n LEU 55 Ca 0.00 0.37 -0.08 0.00 -0.00 0.00 0.00 56.01 56.30 1a5w n LEU 55 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 1a5w n LEU 55 CO 0.00 -0.42 0.03 0.61 -0.00 0.00 0.00 177.39 177.61 1a5w n GLY 56 N -1.26 2.85 3.87 1.47 0.00 -1.26 -5.14 105.19 105.73 1a5w n GLY 56 Ca -0.00 -2.21 -0.31 0.00 0.00 0.00 0.00 46.02 43.51 1a5w n GLY 56 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1a5w s PRO 57 N -2.72 3.81 0.76 1.61 0.05 -1.26 -5.07 135.00 132.19 1a5w s PRO 57 Ca 0.11 0.49 -0.12 0.00 0.05 0.00 0.00 61.00 61.53 1a5w s PRO 57 Cb -0.01 -2.41 0.05 0.00 0.05 0.00 0.00 34.50 32.19 1a5w s PRO 57 CO 0.07 0.00 1.11 -0.51 0.05 0.00 0.00 177.00 177.72 1a5w s LEU 58 N -3.69 3.11 -1.02 -3.56 1.43 -1.26 -4.93 118.68 108.76 1a5w s LEU 58 Ca 0.51 1.93 -0.19 0.00 -1.03 0.00 0.00 54.13 55.35 1a5w s LEU 58 Cb -0.10 -4.54 0.10 0.00 0.03 0.00 0.00 46.19 41.68 1a5w s LEU 58 CO 0.29 -2.07 1.32 -1.58 0.23 0.00 0.00 176.35 174.54 1a5w s GLN 59 N -4.64 3.68 -0.07 1.70 -0.44 -1.26 -4.37 119.66 114.26 1a5w s GLN 59 Ca 0.64 -1.67 0.03 0.00 -2.50 0.00 0.00 55.36 51.87 1a5w s GLN 59 Cb -0.19 -5.13 0.00 0.00 -1.64 0.00 0.00 33.01 26.05 1a5w s GLN 59 CO 0.52 -1.95 -0.18 0.42 0.50 0.00 0.00 175.29 174.60 1a5w s ILE 60 N 3.43 1.57 0.20 -2.34 1.01 -1.26 -0.55 121.20 123.26 1a5w s ILE 60 Ca 0.40 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.37 1a5w s ILE 60 Cb -0.02 -1.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.03 1a5w s ILE 60 CO -0.07 0.45 0.11 0.26 0.00 0.00 0.00 174.94 175.69 1a5w s TRP 61 N 0.40 3.03 -0.09 3.97 0.51 -0.67 -1.72 118.94 124.37 1a5w s TRP 61 Ca -0.14 -0.08 0.04 0.00 -2.12 0.00 0.00 56.10 53.80 1a5w s TRP 61 Cb -0.16 -1.43 -0.00 0.00 -0.81 0.00 0.00 33.47 31.07 1a5w s TRP 61 CO 0.05 0.53 -0.24 -0.65 -0.51 0.00 0.00 176.95 176.14 1a5w s GLN 62 N -3.29 2.89 -0.01 4.98 -0.21 -0.22 -0.37 119.66 123.43 1a5w s GLN 62 Ca 0.31 -0.86 0.04 0.00 0.02 0.00 0.00 55.36 54.87 1a5w s GLN 62 Cb -0.09 -2.23 -0.01 0.00 1.00 0.00 0.00 33.01 31.68 1a5w s GLN 62 CO 0.22 0.21 -0.14 0.99 -2.12 0.00 0.00 175.29 174.45 1a5w s THR 63 N 0.26 1.13 0.33 -0.19 2.01 -0.93 -0.30 115.64 117.96 1a5w s THR 63 Ca -0.16 -0.61 -0.06 0.00 0.31 0.00 0.00 61.69 61.17 1a5w s THR 63 Cb -0.17 -0.95 0.01 0.00 0.01 0.00 0.00 72.50 71.40 1a5w s THR 63 CO 0.08 0.32 0.52 1.51 -0.69 0.00 0.00 174.62 176.36 1a5w s ASP 64 N -0.30 0.59 0.00 3.53 1.47 -0.20 -4.58 116.67 117.19 1a5w s ASP 64 Ca 0.05 -1.34 0.05 0.00 1.18 0.00 0.00 52.55 52.49 1a5w s ASP 64 Cb -0.06 0.68 -0.03 0.00 -0.34 0.00 0.00 42.92 43.17 1a5w s ASP 64 CO -0.00 -1.32 -0.14 -0.36 0.68 0.00 0.00 175.17 174.03 1a5w s PHE 65 N -3.12 2.70 0.01 2.11 0.40 -1.26 -0.44 117.98 118.38 1a5w s PHE 65 Ca 0.27 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.45 1a5w s PHE 65 Cb -0.01 -1.56 -0.01 0.00 0.51 0.00 0.00 43.02 41.95 1a5w s PHE 65 CO 0.17 0.27 -0.04 -0.08 0.70 0.00 0.00 175.22 176.24 1a5w s THR 66 N -0.89 0.28 -0.13 0.64 -1.32 0.04 -4.98 115.64 109.28 1a5w s THR 66 Ca 0.14 -0.44 -0.19 0.00 -1.21 0.00 0.00 61.69 59.99 1a5w s THR 66 Cb -0.11 -0.30 -0.04 0.00 -1.51 0.00 0.00 72.50 70.55 1a5w s THR 66 CO 0.05 -0.11 0.52 -0.22 -2.21 0.00 0.00 174.62 172.65 1a5w s LEU 67 N -0.59 4.25 -0.39 9.08 2.96 -1.26 -0.99 118.68 131.73 1a5w s LEU 67 Ca -0.04 0.84 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 1a5w s LEU 67 Cb -0.04 -2.76 0.13 0.00 0.50 0.00 0.00 46.19 44.02 1a5w s LEU 67 CO -0.00 -0.06 0.21 -0.70 -1.32 0.00 0.00 176.35 174.48 1a5w s GLU 68 N 0.90 0.95 0.66 1.98 2.56 0.51 -4.98 118.70 121.28 1a5w s GLU 68 Ca 0.27 -1.65 0.41 0.00 0.00 0.00 0.00 54.97 54.00 1a5w s GLU 68 Cb -0.16 -1.91 2.24 0.00 2.00 0.00 0.00 34.13 36.31 1a5w s GLU 68 CO 0.11 -1.16 2.30 -1.35 -0.56 0.00 0.00 175.26 174.60 1a5w h PRO 69 N 6.98 0.00 0.00 4.30 0.11 -1.97 0.67 132.00 142.09 1a5w h PRO 69 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1a5w h PRO 69 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1a5w h PRO 69 CO 0.40 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.73 1a5w n ARG 70 N -3.17 0.16 -0.34 1.05 1.74 -1.26 -2.05 116.66 112.78 1a5w n ARG 70 Ca -0.03 0.49 0.08 0.00 -0.77 0.00 0.00 57.85 57.62 1a5w n ARG 70 Cb 0.12 -1.87 0.24 0.00 -1.02 0.00 0.00 32.46 29.94 1a5w n ARG 70 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1a5w n MET 71 N -2.18 3.03 -1.79 5.56 2.81 0.23 -1.13 117.12 123.64 1a5w n MET 71 Ca 0.01 -2.45 -0.38 0.00 -1.81 0.00 0.00 57.70 53.07 1a5w n MET 71 Cb 0.15 -1.53 0.05 0.00 -0.71 0.00 0.00 33.22 31.18 1a5w n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1a5w s ALA 72 N -1.43 2.68 -0.42 3.04 0.00 -0.87 -2.26 121.76 122.50 1a5w s ALA 72 Ca 0.37 1.27 0.26 0.00 0.00 0.00 0.00 51.96 53.86 1a5w s ALA 72 Cb 0.22 -3.55 0.92 0.00 0.00 0.00 0.00 23.12 20.70 1a5w s ALA 72 CO 0.20 -1.42 1.77 -1.00 0.00 0.00 0.00 175.76 175.32 1a5w h PRO 73 N 1.17 0.00 -2.86 0.00 0.13 -1.95 -3.46 132.00 125.03 1a5w h PRO 73 Ca -0.51 0.00 -0.81 0.00 -0.87 0.00 0.00 66.00 63.81 1a5w h PRO 73 Cb 1.31 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.17 1a5w h PRO 73 CO 0.56 0.00 0.89 0.54 -0.23 0.00 0.00 178.00 179.76 1a5w n ARG 74 N -2.56 4.57 -0.03 0.86 1.74 -0.96 -4.62 116.66 115.66 1a5w n ARG 74 Ca 0.03 -4.52 0.13 0.00 -0.77 0.00 0.00 57.85 52.72 1a5w n ARG 74 Cb 0.35 -2.53 0.37 0.00 -1.02 0.00 0.00 32.46 29.63 1a5w n ARG 74 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1a5w n SER 75 N 1.27 2.05 -4.55 0.55 3.41 -1.16 -4.03 113.62 111.16 1a5w n SER 75 Ca 0.29 -1.70 -0.43 0.00 -0.26 0.00 0.00 58.87 56.78 1a5w n SER 75 Cb 0.32 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.18 1a5w n SER 75 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1a5w s TRP 76 N -1.93 3.04 -0.27 7.33 0.52 -0.33 -0.36 118.94 126.94 1a5w s TRP 76 Ca 0.35 0.19 -0.18 0.00 0.02 0.00 0.00 56.10 56.48 1a5w s TRP 76 Cb 0.20 -3.50 -0.03 0.00 -1.15 0.00 0.00 33.47 28.99 1a5w s TRP 76 CO 0.31 -0.89 0.50 -0.51 0.02 0.00 0.00 176.95 176.39 1a5w s LEU 77 N 3.10 4.07 -0.12 2.99 1.43 -0.16 -0.38 118.68 129.61 1a5w s LEU 77 Ca 0.28 0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 53.61 1a5w s LEU 77 Cb -0.13 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.43 1a5w s LEU 77 CO 0.20 -0.29 0.69 0.00 0.23 0.00 0.00 176.35 177.18 1a5w s ALA 78 N 2.29 3.42 -0.08 4.21 0.00 -0.47 -0.78 121.76 130.36 1a5w s ALA 78 Ca 0.20 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.19 1a5w s ALA 78 Cb -0.16 -2.98 0.01 0.00 0.00 0.00 0.00 23.12 19.99 1a5w s ALA 78 CO 0.10 -0.29 -0.18 0.08 0.00 0.00 0.00 175.76 175.47 1a5w s VAL 79 N 1.26 1.55 -0.12 0.00 1.01 0.41 -2.13 120.40 122.40 1a5w s VAL 79 Ca 0.35 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.61 1a5w s VAL 79 Cb -0.17 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.86 1a5w s VAL 79 CO 0.15 0.45 -0.15 -0.89 0.00 0.00 0.00 175.10 174.65 1a5w s THR 80 N 0.43 1.52 -0.18 3.92 2.01 -0.47 -1.03 115.64 121.84 1a5w s THR 80 Ca -0.15 -0.65 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 1a5w s THR 80 Cb -0.16 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 1a5w s THR 80 CO 0.06 0.45 0.09 -0.69 -0.69 0.00 0.00 174.62 173.83 1a5w s VAL 81 N 1.06 5.08 -0.55 3.82 1.01 0.59 -1.53 120.40 129.88 1a5w s VAL 81 Ca -0.05 0.07 -0.22 0.00 0.00 0.00 0.00 61.98 61.78 1a5w s VAL 81 Cb -0.15 -3.29 0.05 0.00 0.00 0.00 0.00 36.38 33.00 1a5w s VAL 81 CO -0.03 0.47 0.81 -0.62 0.00 0.00 0.00 175.10 175.73 1a5w s ASP 82 N 0.19 6.27 0.61 3.32 -1.08 -0.08 -1.05 116.67 124.85 1a5w s ASP 82 Ca 0.06 -0.69 0.40 0.00 -0.52 0.00 0.00 52.55 51.81 1a5w s ASP 82 Cb -0.12 -2.37 2.12 0.00 -1.46 0.00 0.00 42.92 41.09 1a5w s ASP 82 CO -0.00 -1.11 2.23 0.71 0.52 0.00 0.00 175.17 177.51 1a5w h THR 83 N 5.95 0.00 0.00 1.71 1.35 -1.65 0.78 112.91 121.04 1a5w h THR 83 Ca -0.27 -0.09 -0.12 0.00 -0.55 0.00 0.00 66.41 65.38 1a5w h THR 83 Cb 1.08 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 1a5w h THR 83 CO 1.05 0.00 -0.55 0.00 -0.25 0.00 0.00 175.52 175.77 1a5w h ALA 84 N 2.01 0.70 0.00 6.62 0.00 -1.76 -3.36 119.26 123.46 1a5w h ALA 84 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1a5w h ALA 84 Cb 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1a5w h ALA 84 CO 0.00 0.68 -0.32 -1.13 0.00 0.00 0.00 179.25 178.49 1a5w n SER 85 N -3.31 1.59 -0.13 0.00 3.41 -0.84 -4.88 113.62 109.46 1a5w n SER 85 Ca 0.01 -0.26 -0.02 0.00 -0.26 0.00 0.00 58.87 58.35 1a5w n SER 85 Cb 0.72 0.84 -0.01 0.00 -0.26 0.00 0.00 64.21 65.49 1a5w n SER 85 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1a5w n SER 86 N -0.99 -4.87 -4.77 4.04 7.64 0.26 -4.99 113.62 109.95 1a5w n SER 86 Ca 0.00 0.04 -0.37 0.00 1.01 0.00 0.00 58.87 59.55 1a5w n SER 86 Cb 0.00 -2.52 0.00 0.00 -1.01 0.00 0.00 64.21 60.68 1a5w n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a5w s ALA 87 N -1.50 2.96 -0.11 -0.43 0.00 -1.22 -4.71 121.76 116.75 1a5w s ALA 87 Ca 0.00 1.03 0.03 0.00 0.00 0.00 0.00 51.96 53.02 1a5w s ALA 87 Cb 0.00 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 1a5w s ALA 87 CO 0.00 -0.80 -0.21 0.42 0.00 0.00 0.00 175.76 175.17 1a5w s ILE 88 N -1.48 2.29 -0.09 0.00 1.01 -1.26 -0.90 121.20 120.77 1a5w s ILE 88 Ca 0.64 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1a5w s ILE 88 Cb -0.31 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 1a5w s ILE 88 CO 0.38 0.55 -0.19 -0.69 0.00 0.00 0.00 174.94 174.99 1a5w s VAL 89 N 0.34 2.58 -0.01 2.92 1.01 -0.58 -4.93 120.40 121.73 1a5w s VAL 89 Ca -0.17 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 60.97 1a5w s VAL 89 Cb -0.18 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.19 1a5w s VAL 89 CO 0.08 0.56 -0.04 0.54 0.00 0.00 0.00 175.10 176.24 1a5w s VAL 90 N 0.03 0.38 0.19 2.92 0.11 -1.26 -1.37 120.40 121.40 1a5w s VAL 90 Ca -0.07 -0.15 0.05 0.00 -2.93 0.00 0.00 61.98 58.88 1a5w s VAL 90 Cb -0.15 -0.36 -0.05 0.00 -1.53 0.00 0.00 36.38 34.30 1a5w s VAL 90 CO 0.05 0.13 -0.08 0.42 -3.33 0.00 0.00 175.10 172.29 1a5w s THR 91 N 0.21 1.27 -0.08 5.04 -4.23 -0.91 -5.00 115.64 111.94 1a5w s THR 91 Ca -0.02 -2.09 -0.01 0.00 -1.18 0.00 0.00 61.69 58.39 1a5w s THR 91 Cb -0.06 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.68 1a5w s THR 91 CO -0.00 -0.56 -0.02 -1.10 -0.54 0.00 0.00 174.62 172.39 1a5w s GLN 92 N -3.76 2.94 -0.00 3.99 -0.21 -1.26 -1.37 119.66 119.98 1a5w s GLN 92 Ca 0.22 -0.46 -0.04 0.00 0.02 0.00 0.00 55.36 55.10 1a5w s GLN 92 Cb 0.03 -2.73 -0.00 0.00 1.00 0.00 0.00 33.01 31.31 1a5w s GLN 92 CO 0.05 0.67 0.08 -1.01 -2.12 0.00 0.00 175.29 172.95 1a5w s HIS 93 N -0.79 0.07 -0.14 0.91 3.76 0.49 -4.99 115.29 114.61 1a5w s HIS 93 Ca 0.12 -0.16 0.15 0.00 -0.15 0.00 0.00 55.06 55.02 1a5w s HIS 93 Cb -0.11 -0.07 0.06 0.00 1.11 0.00 0.00 32.58 33.56 1a5w s HIS 93 CO 0.02 -0.20 1.44 0.78 -0.85 0.00 0.00 174.74 175.93 1a5w h GLY 94 N 4.81 0.00 -4.16 -2.22 0.00 -1.84 -0.85 103.07 98.81 1a5w h GLY 94 Ca -0.30 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1a5w h GLY 94 CO 0.42 0.00 -0.26 0.50 0.00 0.00 0.00 176.54 177.20 1a5w s ARG 95 N -2.95 0.74 -0.83 4.80 0.52 -1.26 -4.70 118.95 115.27 1a5w s ARG 95 Ca 0.04 -0.35 -0.18 0.00 -0.52 0.00 0.00 55.73 54.72 1a5w s ARG 95 Cb 0.08 0.33 0.14 0.00 0.52 0.00 0.00 34.95 36.01 1a5w s ARG 95 CO 0.75 -0.22 0.97 0.08 0.02 0.00 0.00 175.30 176.90 1a5w s VAL 96 N -1.94 4.89 0.40 3.52 1.01 -1.26 -4.74 120.40 122.28 1a5w s VAL 96 Ca -0.09 -1.57 0.04 0.00 0.00 0.00 0.00 61.98 60.36 1a5w s VAL 96 Cb -0.03 -4.66 -0.05 0.00 0.00 0.00 0.00 36.38 31.64 1a5w s VAL 96 CO 0.01 -1.34 0.06 0.42 0.00 0.00 0.00 175.10 174.24 1a5w s THR 97 N 2.27 1.17 0.22 3.92 -4.23 -1.26 -4.83 115.64 112.90 1a5w s THR 97 Ca 0.25 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.67 1a5w s THR 97 Cb -0.10 -2.59 0.18 0.00 1.34 0.00 0.00 72.50 71.33 1a5w s THR 97 CO -0.05 0.00 1.88 0.28 -0.54 0.00 0.00 174.62 176.19 1a5w h SER 98 N 1.81 0.95 -0.17 3.99 0.02 -1.90 -2.26 113.55 115.99 1a5w h SER 98 Ca -0.41 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.38 1a5w h SER 98 Cb 1.27 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1a5w h SER 98 CO 0.69 0.71 -0.29 0.58 -1.14 0.00 0.00 176.83 177.38 1a5w h VAL 99 N 1.11 1.28 -0.44 2.27 2.07 -1.96 -1.31 116.25 119.27 1a5w h VAL 99 Ca 0.30 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.40 1a5w h VAL 99 Cb -0.09 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1a5w h VAL 99 CO -0.06 0.46 0.26 0.00 0.02 0.00 0.00 177.57 178.25 1a5w h ALA 100 N 1.11 0.56 -0.48 1.67 0.00 -1.77 -0.38 119.26 119.96 1a5w h ALA 100 Ca 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1a5w h ALA 100 Cb 0.79 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1a5w h ALA 100 CO 0.06 0.05 0.30 0.00 0.00 0.00 0.00 179.25 179.67 1a5w h ALA 101 N 1.12 0.62 -0.46 0.00 0.00 -0.99 -0.10 119.26 119.44 1a5w h ALA 101 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1a5w h ALA 101 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1a5w h ALA 101 CO -0.03 0.01 0.21 1.96 0.00 0.00 0.00 179.25 181.40 1a5w h GLN 102 N 0.60 0.67 -0.70 0.00 4.20 -1.15 -0.28 115.11 118.46 1a5w h GLN 102 Ca 0.19 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1a5w h GLN 102 Cb -0.02 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1a5w h GLN 102 CO -0.07 0.58 0.33 0.45 -0.67 0.00 0.00 178.83 179.45 1a5w h HIS 103 N 0.60 0.99 -0.10 2.96 3.86 -0.82 -0.60 115.15 122.04 1a5w h HIS 103 Ca 0.16 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1a5w h HIS 103 Cb 0.14 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 28.29 1a5w h HIS 103 CO -0.01 0.73 0.02 1.25 0.86 0.00 0.00 177.93 180.78 1a5w h HIS 104 N 0.99 0.16 -0.06 2.45 -0.00 -0.43 -2.49 115.15 115.78 1a5w h HIS 104 Ca 0.24 -0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.51 1a5w h HIS 104 Cb 0.11 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1a5w h HIS 104 CO 0.01 0.34 -0.33 -1.49 -0.00 0.00 0.00 177.93 176.46 1a5w h TRP 105 N -0.06 0.12 -0.69 5.26 6.55 -0.87 -0.80 115.95 125.46 1a5w h TRP 105 Ca 0.03 -0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.85 1a5w h TRP 105 Cb 0.26 -0.03 -0.03 0.00 -0.86 0.00 0.00 29.16 28.49 1a5w h TRP 105 CO 0.01 0.43 0.46 0.00 -1.05 0.00 0.00 178.44 178.28 1a5w h ALA 106 N 1.57 0.88 -0.21 1.49 0.00 -0.87 0.59 119.26 122.71 1a5w h ALA 106 Ca 0.01 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1a5w h ALA 106 Cb 0.63 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1a5w h ALA 106 CO 0.05 0.31 -0.03 1.15 0.00 0.00 0.00 179.25 180.72 1a5w h THR 107 N 0.94 1.27 -0.56 0.00 2.02 -0.97 -2.81 112.91 112.81 1a5w h THR 107 Ca 0.25 -0.97 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 1a5w h THR 107 Cb -0.10 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.76 1a5w h THR 107 CO -0.05 0.30 0.25 0.00 0.37 0.00 0.00 175.52 176.38 1a5w h ALA 108 N 0.77 1.39 -0.69 6.16 0.00 -0.85 -1.81 119.26 124.22 1a5w h ALA 108 Ca 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1a5w h ALA 108 Cb 0.46 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1a5w h ALA 108 CO 0.02 0.47 0.21 0.82 0.00 0.00 0.00 179.25 180.77 1a5w h ILE 109 N 0.79 1.25 -0.00 0.00 2.04 -0.83 0.68 117.51 121.44 1a5w h ILE 109 Ca 0.19 -0.87 -0.08 0.00 1.00 0.00 0.00 64.86 65.10 1a5w h ILE 109 Cb 0.12 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 1a5w h ILE 109 CO -0.02 0.34 -0.39 0.00 0.00 0.00 0.00 178.15 178.08 1a5w h ALA 110 N 1.21 1.35 0.10 1.87 0.00 -1.14 0.11 119.26 122.76 1a5w h ALA 110 Ca 0.22 -0.36 -0.35 0.00 0.00 0.00 0.00 54.91 54.43 1a5w h ALA 110 Cb 0.29 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1a5w h ALA 110 CO -0.01 0.49 -1.95 0.28 0.00 0.00 0.00 179.25 178.07 1a5w n VAL 111 N -4.07 1.75 0.03 0.00 0.31 -0.74 -4.61 118.33 111.00 1a5w n VAL 111 Ca -0.02 -0.68 0.05 0.00 -0.01 0.00 0.00 64.34 63.68 1a5w n VAL 111 Cb 0.42 -1.60 -0.08 0.00 -0.91 0.00 0.00 33.84 31.67 1a5w n VAL 111 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1a5w n LEU 112 N -3.40 0.03 0.00 7.52 4.77 0.23 -5.09 117.00 121.06 1a5w n LEU 112 Ca -0.29 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 1a5w n LEU 112 Cb 1.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.14 1a5w n LEU 112 CO 0.43 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 1a5w n GLY 113 N 1.84 1.10 3.65 -0.72 0.00 0.02 -4.92 105.19 106.16 1a5w n GLY 113 Ca -0.02 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 1a5w n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1a5w s ARG 114 N -1.90 4.20 0.81 1.61 3.52 -1.26 -4.39 118.95 121.54 1a5w s ARG 114 Ca 0.00 1.35 -0.12 0.00 -0.13 0.00 0.00 55.73 56.83 1a5w s ARG 114 Cb 0.00 -3.69 0.08 0.00 -1.56 0.00 0.00 34.95 29.78 1a5w s ARG 114 CO 0.00 -0.72 1.17 -1.25 -0.81 0.00 0.00 175.30 173.69 1a5w s PRO 115 N 3.38 1.95 0.03 5.12 0.04 -1.26 -4.99 135.00 139.27 1a5w s PRO 115 Ca 0.46 0.17 -0.08 0.00 0.04 0.00 0.00 61.00 61.60 1a5w s PRO 115 Cb -0.16 -1.94 -0.31 0.00 0.04 0.00 0.00 34.50 32.13 1a5w s PRO 115 CO 0.10 -1.62 0.97 0.87 0.04 0.00 0.00 177.00 177.36 1a5w h LYS 116 N -1.07 0.37 -3.28 4.56 1.79 -1.20 -3.45 116.57 114.28 1a5w h LYS 116 Ca -0.46 -0.63 -0.09 0.00 -2.18 0.00 0.00 60.65 57.29 1a5w h LYS 116 Cb 1.32 0.23 -0.16 0.00 -1.58 0.00 0.00 32.23 32.04 1a5w h LYS 116 CO 0.65 1.28 -0.21 0.00 -1.08 0.00 0.00 179.45 180.09 1a5w s ALA 117 N -2.62 -0.75 -0.06 3.86 0.00 -1.15 -1.51 121.76 119.54 1a5w s ALA 117 Ca -0.08 0.03 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1a5w s ALA 117 Cb 0.06 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1a5w s ALA 117 CO 0.89 -0.45 -0.16 0.42 0.00 0.00 0.00 175.76 176.46 1a5w s ILE 118 N -2.71 1.39 -0.21 0.00 1.01 -0.48 -1.66 121.20 118.54 1a5w s ILE 118 Ca -0.04 -0.67 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 1a5w s ILE 118 Cb -0.00 -1.22 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 1a5w s ILE 118 CO -0.04 0.41 0.03 -0.75 0.00 0.00 0.00 174.94 174.58 1a5w s LYS 119 N 0.27 3.66 0.17 2.79 2.20 0.50 -0.69 119.74 128.63 1a5w s LYS 119 Ca -0.09 -0.49 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1a5w s LYS 119 Cb -0.13 -3.16 -0.01 0.00 -1.51 0.00 0.00 37.83 33.01 1a5w s LYS 119 CO 0.03 -0.02 0.08 0.25 -0.36 0.00 0.00 175.35 175.33 1a5w n THR 120 N 4.37 0.00 -2.44 3.43 -2.24 -1.03 -2.19 114.28 114.19 1a5w n THR 120 Ca -0.17 -1.03 0.00 0.00 -2.27 0.00 0.00 64.05 60.58 1a5w n THR 120 Cb 0.52 0.41 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1a5w n THR 120 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1a5w n ASP 121 N -2.00 0.00 -1.44 3.42 5.68 -1.26 -4.18 116.55 116.77 1a5w n ASP 121 Ca -0.01 -0.90 -0.09 0.00 -0.50 0.00 0.00 54.79 53.30 1a5w n ASP 121 Cb 0.26 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.31 1a5w n ASP 121 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1a5w n ASN 122 N -2.70 3.26 -4.75 -1.12 5.15 -1.26 -4.82 115.26 109.03 1a5w n ASN 122 Ca 0.00 -2.58 -0.37 0.00 -0.60 0.00 0.00 54.58 51.03 1a5w n ASN 122 Cb 0.00 -0.62 0.04 0.00 -0.53 0.00 0.00 39.78 38.67 1a5w n ASN 122 CO 0.00 0.00 0.00 -0.83 1.40 0.00 0.00 177.26 177.83 1a5w s GLY 123 N 0.16 2.82 0.23 8.20 0.00 -1.26 -4.78 107.32 112.69 1a5w s GLY 123 Ca 0.21 1.15 -0.06 0.00 0.00 0.00 0.00 44.72 46.01 1a5w s GLY 123 CO 0.04 1.59 1.82 1.48 0.00 0.00 0.00 173.10 178.03 1a5w h SER 124 N 0.98 1.07 0.10 1.64 4.64 -1.95 0.29 113.55 120.33 1a5w h SER 124 Ca -0.51 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 60.68 1a5w h SER 124 Cb 1.31 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1a5w h SER 124 CO 0.55 0.91 -0.01 0.00 -0.87 0.00 0.00 176.83 177.41 1a5w n PHE 126 N -3.43 0.27 0.03 0.00 3.72 -0.12 -4.41 117.46 113.53 1a5w n PHE 126 Ca -0.03 0.08 0.03 0.00 -0.05 0.00 0.00 57.45 57.49 1a5w n PHE 126 Cb 0.11 -0.62 0.07 0.00 -0.94 0.00 0.00 39.48 38.09 1a5w n PHE 126 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1a5w n THR 127 N -2.37 0.64 -1.15 4.37 -2.24 -0.10 -4.66 114.28 108.78 1a5w n THR 127 Ca -0.03 -0.82 -0.30 0.00 -2.27 0.00 0.00 64.05 60.64 1a5w n THR 127 Cb 0.56 0.73 0.15 0.00 -2.10 0.00 0.00 70.33 69.67 1a5w n THR 127 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1a5w s SER 128 N -0.83 3.24 0.22 3.42 1.04 -0.56 -4.81 113.70 115.41 1a5w s SER 128 Ca 0.11 1.49 -0.03 0.00 0.48 0.00 0.00 55.95 58.01 1a5w s SER 128 Cb 0.06 -2.16 0.21 0.00 0.10 0.00 0.00 66.02 64.23 1a5w s SER 128 CO 0.09 -2.79 1.61 0.50 0.98 0.00 0.00 173.24 173.63 1a5w h LYS 129 N -1.65 0.67 0.07 4.02 3.64 -1.95 -0.53 116.57 120.83 1a5w h LYS 129 Ca -0.50 -0.30 0.02 0.00 -1.27 0.00 0.00 60.65 58.59 1a5w h LYS 129 Cb 1.29 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 1a5w h LYS 129 CO 0.54 0.90 -0.17 1.03 -2.27 0.00 0.00 179.45 179.48 1a5w h SER 130 N 0.57 -0.48 0.12 4.20 0.87 -1.97 0.39 113.55 117.25 1a5w h SER 130 Ca 0.07 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.56 1a5w h SER 130 Cb 0.81 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 1a5w h SER 130 CO 0.07 -0.24 -0.46 0.74 -0.53 0.00 0.00 176.83 176.41 1a5w h THR 131 N -0.31 1.32 -0.82 2.23 2.02 -1.79 -1.23 112.91 114.33 1a5w h THR 131 Ca 0.03 -1.65 -0.02 0.00 0.77 0.00 0.00 66.41 65.54 1a5w h THR 131 Cb 0.35 1.69 -0.04 0.00 -1.74 0.00 0.00 68.15 68.41 1a5w h THR 131 CO -0.12 0.50 0.42 0.03 0.37 0.00 0.00 175.52 176.72 1a5w h ARG 132 N 0.33 1.17 -0.30 6.66 3.08 -0.47 -2.36 114.38 122.49 1a5w h ARG 132 Ca 0.02 -0.16 -0.18 0.00 0.07 0.00 0.00 59.98 59.73 1a5w h ARG 132 Cb 0.93 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1a5w h ARG 132 CO 0.08 0.88 -0.53 1.49 -1.07 0.00 0.00 179.97 180.82 1a5w h GLU 133 N 1.15 0.89 -0.40 0.04 4.57 -0.51 -2.43 114.58 117.90 1a5w h GLU 133 Ca 0.28 -0.56 0.02 0.00 -1.18 0.00 0.00 59.36 57.93 1a5w h GLU 133 Cb 0.09 0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 28.71 1a5w h GLU 133 CO -0.04 1.19 0.23 2.35 -1.18 0.00 0.00 179.01 181.56 1a5w h TRP 134 N 0.69 0.43 -0.57 0.92 7.01 -1.03 0.12 115.95 123.52 1a5w h TRP 134 Ca 0.02 0.01 -0.07 0.00 2.11 0.00 0.00 58.89 60.97 1a5w h TRP 134 Cb 1.14 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 28.04 1a5w h TRP 134 CO 0.07 0.25 0.09 -0.07 -2.79 0.00 0.00 178.44 175.99 1a5w h LEU 135 N 0.47 0.87 -0.62 0.65 3.38 -1.43 -2.37 115.31 116.26 1a5w h LEU 135 Ca 0.16 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1a5w h LEU 135 Cb 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1a5w h LEU 135 CO -0.08 0.88 0.24 0.00 0.09 0.00 0.00 178.44 179.57 1a5w h ALA 136 N 1.23 0.80 -0.88 1.53 0.00 -1.18 0.16 119.26 120.92 1a5w h ALA 136 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1a5w h ALA 136 Cb 0.39 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1a5w h ALA 136 CO 0.01 0.42 0.56 -0.09 0.00 0.00 0.00 179.25 180.15 1a5w h ARG 137 N 0.86 1.17 0.00 0.00 2.43 -0.70 -2.01 114.38 116.14 1a5w h ARG 137 Ca 0.21 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1a5w h ARG 137 Cb 0.21 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 1a5w h ARG 137 CO -0.02 0.79 -0.19 0.91 -1.51 0.00 0.00 179.97 179.96 1a5w n TRP 138 N -4.38 0.46 -2.20 2.20 7.02 -0.91 -4.96 117.44 114.66 1a5w n TRP 138 Ca 0.10 0.13 -0.04 0.00 -1.02 0.00 0.00 57.50 56.67 1a5w n TRP 138 Cb 0.04 -0.66 0.00 0.00 -2.42 0.00 0.00 31.31 28.27 1a5w n TRP 138 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1a5w n GLY 139 N 1.40 0.29 3.52 6.99 0.00 -0.25 -5.03 105.19 112.11 1a5w n GLY 139 Ca 0.06 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1a5w n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a5w s ILE 140 N -2.37 4.23 0.42 -0.61 1.01 -0.12 -4.96 121.20 118.80 1a5w s ILE 140 Ca 0.02 -0.22 -0.24 0.00 0.00 0.00 0.00 60.65 60.21 1a5w s ILE 140 Cb -0.01 -2.90 -0.08 0.00 0.01 0.00 0.00 42.46 39.48 1a5w s ILE 140 CO 0.03 0.45 1.12 0.00 0.00 0.00 0.00 174.94 176.54 1a5w s ALA 141 N 0.67 3.07 -0.12 9.38 0.00 -0.57 -4.49 121.76 129.71 1a5w s ALA 141 Ca 0.01 0.85 0.03 0.00 0.00 0.00 0.00 51.96 52.85 1a5w s ALA 141 Cb -0.14 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.64 1a5w s ALA 141 CO 0.02 -0.44 -0.21 -1.58 0.00 0.00 0.00 175.76 173.54 1a5w s HIS 142 N -1.55 2.64 0.41 0.00 2.46 -1.26 -1.38 115.29 116.61 1a5w s HIS 142 Ca 0.59 -1.07 0.04 0.00 0.47 0.00 0.00 55.06 55.10 1a5w s HIS 142 Cb -0.27 -1.77 -0.02 0.00 -0.13 0.00 0.00 32.58 30.39 1a5w s HIS 142 CO 0.33 -0.45 0.15 -0.08 -2.47 0.00 0.00 174.74 172.22 1a5w s THR 143 N 0.50 0.52 0.27 0.89 -1.32 0.13 -4.96 115.64 111.66 1a5w s THR 143 Ca -0.14 -2.00 0.03 0.00 -1.21 0.00 0.00 61.69 58.37 1a5w s THR 143 Cb -0.17 -2.34 -0.04 0.00 -1.51 0.00 0.00 72.50 68.44 1a5w s THR 143 CO 0.05 0.00 0.18 0.28 -2.21 0.00 0.00 174.62 172.92 1a5w s THR 144 N -3.23 0.13 0.78 5.08 -1.32 -1.26 -2.45 115.64 113.37 1a5w s THR 144 Ca 0.25 -2.00 -0.14 0.00 -1.21 0.00 0.00 61.69 58.59 1a5w s THR 144 Cb 0.02 -2.51 0.06 0.00 -1.51 0.00 0.00 72.50 68.56 1a5w s THR 144 CO 0.16 0.00 1.13 0.61 -2.21 0.00 0.00 174.62 174.31 1a5w n GLY 145 N -0.47 -0.11 2.02 6.08 0.00 -1.26 -4.92 105.19 106.53 1a5w n GLY 145 Ca 0.03 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.49 1a5w n GLY 145 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1a5w n ILE 146 N -3.00 0.00 -1.42 -0.61 -5.35 -1.26 -5.08 119.36 102.64 1a5w n ILE 146 Ca 0.13 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.86 1a5w n ILE 146 Cb 0.50 -1.26 0.00 0.00 -1.74 0.00 0.00 39.64 37.14 1a5w n ILE 146 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1a5w n PRO 147 N -2.07 1.92 -1.98 6.28 -0.04 -1.26 -4.63 135.00 133.21 1a5w n PRO 147 Ca 0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 1a5w n PRO 147 Cb 0.31 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 1a5w n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1a5w n GLY 148 N 5.00 0.52 2.41 0.55 0.00 -1.26 -3.64 105.19 108.77 1a5w n GLY 148 Ca 0.00 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 1a5w n GLY 148 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1a5w n ASN 149 N -0.59 -4.51 -4.82 1.61 4.13 -1.26 -4.93 115.26 104.88 1a5w n ASN 149 Ca 0.00 0.32 -0.33 0.00 1.68 0.00 0.00 54.58 56.25 1a5w n ASN 149 Cb 0.48 -3.74 -0.06 0.00 -1.54 0.00 0.00 39.78 34.92 1a5w n ASN 149 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1a5w s SER 150 N -2.23 6.87 0.13 6.41 0.01 -1.24 -5.08 113.70 118.57 1a5w s SER 150 Ca 0.00 1.68 0.00 0.00 1.31 0.00 0.00 55.95 58.94 1a5w s SER 150 Cb 0.00 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.69 1a5w s SER 150 CO 0.00 -0.41 0.00 0.00 0.41 0.00 0.00 173.24 173.24 1a5w n GLN 151 N -0.81 1.70 0.00 12.44 6.02 -1.26 -4.91 117.38 130.55 1a5w n GLN 151 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1a5w n GLN 151 Cb 0.54 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.80 1a5w n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1a5w n GLY 152 N 5.00 -2.68 3.12 1.08 0.00 -1.26 -4.56 105.19 105.89 1a5w n GLY 152 Ca 0.00 0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.13 1a5w n GLY 152 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1a5w s GLN 153 N -2.35 0.31 0.26 1.61 0.00 -1.26 -4.27 119.66 113.96 1a5w s GLN 153 Ca 0.00 0.23 -0.03 0.00 -0.00 0.00 0.00 55.36 55.56 1a5w s GLN 153 Cb 0.00 0.12 0.38 0.00 0.00 0.00 0.00 33.01 33.51 1a5w s GLN 153 CO 0.00 -0.56 1.89 0.00 0.00 0.00 0.00 175.29 176.62 1a5w h ALA 154 N 7.34 1.38 -0.54 2.60 0.00 -1.99 -2.87 119.26 125.17 1a5w h ALA 154 Ca -0.06 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1a5w h ALA 154 Cb 1.18 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1a5w h ALA 154 CO -0.01 0.48 0.25 0.52 0.00 0.00 0.00 179.25 180.49 1a5w h MET 155 N 1.21 0.45 0.00 0.00 2.86 -1.99 0.15 114.93 117.61 1a5w h MET 155 Ca 0.42 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.97 1a5w h MET 155 Cb 0.12 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1a5w h MET 155 CO -0.16 0.30 -0.31 -0.24 1.06 0.00 0.00 176.91 177.56 1a5w h VAL 156 N 0.47 0.74 -0.14 -2.22 3.04 -1.85 -1.87 116.25 114.42 1a5w h VAL 156 Ca 0.25 -1.36 -0.19 0.00 -1.01 0.00 0.00 66.70 64.39 1a5w h VAL 156 Cb 0.22 1.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1a5w h VAL 156 CO -0.21 0.30 -0.70 -0.33 -1.01 0.00 0.00 177.57 175.62 1a5w h GLU 157 N 0.00 0.61 -0.37 4.17 3.07 -0.95 -1.14 114.58 119.97 1a5w h GLU 157 Ca -0.00 -0.46 -0.02 0.00 -0.50 0.00 0.00 59.36 58.38 1a5w h GLU 157 Cb 0.84 0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 1a5w h GLU 157 CO 0.04 1.08 0.17 0.00 -1.40 0.00 0.00 179.01 178.90 1a5w h ARG 158 N 0.43 0.53 -0.96 2.33 3.08 -0.54 -3.00 114.38 116.25 1a5w h ARG 158 Ca -0.03 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.01 1a5w h ARG 158 Cb 1.29 -0.09 -0.07 0.00 0.08 0.00 0.00 29.97 31.18 1a5w h ARG 158 CO 0.13 0.49 0.61 0.00 -1.07 0.00 0.00 179.97 180.13 1a5w h ALA 159 N 1.02 1.35 -0.39 0.04 0.00 -1.09 -0.32 119.26 119.87 1a5w h ALA 159 Ca 0.12 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.10 1a5w h ALA 159 Cb 0.14 -0.27 -0.08 0.00 0.00 0.00 0.00 17.79 17.59 1a5w h ALA 159 CO -0.01 0.36 -0.11 -0.91 0.00 0.00 0.00 179.25 178.57 1a5w h ASN 160 N 1.09 -0.40 0.11 0.00 2.35 -1.08 -0.24 115.58 117.40 1a5w h ASN 160 Ca 0.43 0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 56.29 1a5w h ASN 160 Cb 0.22 0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1a5w h ASN 160 CO -0.19 -0.14 -0.05 -0.09 -1.65 0.00 0.00 177.43 175.30 1a5w h ARG 161 N -0.02 -0.14 -0.98 0.81 2.43 -1.24 -1.31 114.38 113.93 1a5w h ARG 161 Ca 0.19 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 1a5w h ARG 161 Cb 0.31 0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.82 1a5w h ARG 161 CO -0.41 0.15 0.63 -0.07 -1.51 0.00 0.00 179.97 178.76 1a5w h LEU 162 N -0.44 1.00 -0.21 3.80 3.38 -0.96 -0.69 115.31 121.19 1a5w h LEU 162 Ca -0.01 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1a5w h LEU 162 Cb 0.36 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1a5w h LEU 162 CO 0.02 0.63 0.07 0.25 0.09 0.00 0.00 178.44 179.51 1a5w h LEU 163 N 1.13 0.31 -1.03 1.67 5.85 -0.95 -1.50 115.31 120.78 1a5w h LEU 163 Ca 0.42 -0.19 -0.08 0.00 0.84 0.00 0.00 57.88 58.87 1a5w h LEU 163 Cb 0.19 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1a5w h LEU 163 CO -0.17 0.42 -0.17 0.11 -0.34 0.00 0.00 178.44 178.29 1a5w h LYS 164 N 0.18 0.49 -0.46 1.25 1.57 -0.72 -2.13 116.57 116.75 1a5w h LYS 164 Ca 0.07 -0.16 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1a5w h LYS 164 Cb 0.21 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1a5w h LYS 164 CO -0.00 0.65 -0.17 -0.44 -0.57 0.00 0.00 179.45 178.92 1a5w h ASP 165 N 0.45 0.95 -0.41 0.86 3.32 -1.00 -1.95 116.42 118.64 1a5w h ASP 165 Ca 0.08 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.72 1a5w h ASP 165 Cb 0.56 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 1a5w h ASP 165 CO 0.04 1.12 0.14 0.50 -1.72 0.00 0.00 179.24 179.31 1a5w h LYS 166 N 0.77 0.62 -0.44 3.56 1.63 -1.09 0.66 116.57 122.29 1a5w h LYS 166 Ca 0.11 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.79 1a5w h LYS 166 Cb 0.73 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.24 1a5w h LYS 166 CO 0.06 0.61 0.28 0.82 -3.45 0.00 0.00 179.45 177.76 1a5w h ILE 167 N 0.51 1.09 0.05 2.00 2.04 -1.32 -0.47 117.51 121.42 1a5w h ILE 167 Ca 0.13 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.80 1a5w h ILE 167 Cb 0.23 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1a5w h ILE 167 CO -0.01 0.10 -0.03 -0.09 0.00 0.00 0.00 178.15 178.13 1a5w h ARG 168 N 0.56 -0.07 -0.28 2.37 2.43 -1.05 0.70 114.38 119.05 1a5w h ARG 168 Ca 0.17 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.38 1a5w h ARG 168 Cb -0.04 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.50 1a5w h ARG 168 CO -0.05 -0.05 0.06 0.28 -1.51 0.00 0.00 179.97 178.70 1a5w h VAL 169 N -0.08 0.88 -0.64 0.20 2.07 -0.67 -1.95 116.25 116.06 1a5w h VAL 169 Ca -0.00 -0.06 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 1a5w h VAL 169 Cb 0.06 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 1a5w h VAL 169 CO 0.01 0.03 0.16 -0.07 0.02 0.00 0.00 177.57 177.72 1a5w h LEU 170 N 0.16 0.96 -0.23 2.57 3.38 -0.93 -2.13 115.31 119.10 1a5w h LEU 170 Ca 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1a5w h LEU 170 Cb 0.13 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1a5w h LEU 170 CO -0.16 0.94 0.05 0.00 0.09 0.00 0.00 178.44 179.36 1a5w h ALA 171 N 1.06 0.30 -0.35 1.53 0.00 -0.59 -2.25 119.26 118.96 1a5w h ALA 171 Ca 0.20 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1a5w h ALA 171 Cb 0.35 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1a5w h ALA 171 CO 0.00 -0.05 -0.10 0.93 0.00 0.00 0.00 179.25 180.04 1a5w h GLU 172 N 0.19 0.60 -0.25 0.00 5.08 -1.23 0.13 114.58 119.10 1a5w h GLU 172 Ca 0.07 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1a5w h GLU 172 Cb 0.28 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1a5w h GLU 172 CO 0.00 0.69 0.14 0.78 -1.00 0.00 0.00 179.01 179.63 1a5w h GLY 173 N 0.94 0.36 0.11 -3.84 0.00 -1.13 0.55 103.07 100.06 1a5w h GLY 173 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.29 1a5w h GLY 173 CO 0.03 0.14 -0.07 1.22 0.00 0.00 0.00 176.54 177.86 1a5w n ASP 174 N -4.47 1.02 0.00 0.19 8.00 -0.71 -4.92 116.55 115.66 1a5w n ASP 174 Ca 0.01 -1.15 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1a5w n ASP 174 Cb 0.09 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1a5w n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a5w n GLY 175 N 1.20 0.82 3.41 0.44 0.00 0.19 -5.03 105.19 106.22 1a5w n GLY 175 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1a5w n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a5w s PHE 176 N -2.11 3.16 -0.24 1.61 0.08 0.37 -4.89 117.98 115.96 1a5w s PHE 176 Ca 0.00 -0.77 0.21 0.00 0.12 0.00 0.00 56.93 56.50 1a5w s PHE 176 Cb 0.00 -3.35 0.03 0.00 -0.57 0.00 0.00 43.02 39.12 1a5w s PHE 176 CO 0.00 -0.91 1.10 0.52 -0.10 0.00 0.00 175.22 175.83 1a5w h MET 177 N 8.87 0.00 0.00 0.44 2.86 -1.90 -3.03 114.93 122.18 1a5w h MET 177 Ca -0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.36 1a5w h MET 177 Cb 1.10 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 1a5w h MET 177 CO 0.92 0.07 0.00 1.63 1.06 0.00 0.00 176.91 180.60 1a5w n LYS 178 N -2.80 0.00 -1.98 1.72 4.76 -1.26 -5.02 118.16 113.57 1a5w n LYS 178 Ca -0.01 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.03 1a5w n LYS 178 Cb 0.61 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.79 1a5w n LYS 178 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1a5w s ARG 179 N 3.89 3.99 -0.01 1.97 3.52 -1.26 -4.83 118.95 126.22 1a5w s ARG 179 Ca 0.00 2.26 -0.30 0.00 -0.13 0.00 0.00 55.73 57.57 1a5w s ARG 179 Cb 0.00 -2.81 -0.03 0.00 -1.56 0.00 0.00 34.95 30.55 1a5w s ARG 179 CO 0.00 -0.51 1.01 0.42 -0.81 0.00 0.00 175.30 175.40 1a5w s ILE 180 N -1.22 4.78 0.23 4.11 1.01 -0.28 -4.95 121.20 124.88 1a5w s ILE 180 Ca 0.56 2.00 -0.30 0.00 0.00 0.00 0.00 60.65 62.91 1a5w s ILE 180 Cb -0.40 -4.28 -0.15 0.00 0.01 0.00 0.00 42.46 37.63 1a5w s ILE 180 CO 0.53 0.13 1.02 -2.65 0.00 0.00 0.00 174.94 173.97 1a5w n PRO 181 N 4.08 1.11 -0.30 2.79 -0.02 -1.26 -4.77 135.00 136.63 1a5w n PRO 181 Ca 0.07 0.39 0.11 0.00 -2.02 0.00 0.00 63.50 62.05 1a5w n PRO 181 Cb 0.50 -1.78 0.33 0.00 -0.02 0.00 0.00 33.50 32.53 1a5w n PRO 181 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1a5w h THR 182 N 2.18 0.85 0.00 3.45 2.02 -1.94 -0.97 112.91 118.50 1a5w h THR 182 Ca -0.40 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.51 1a5w h THR 182 Cb 1.35 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 1a5w h THR 182 CO 0.64 0.14 0.00 -1.54 0.37 0.00 0.00 175.52 175.14 1a5w n SER 183 N -4.59 0.52 0.01 4.18 3.41 -1.26 -2.82 113.62 113.07 1a5w n SER 183 Ca 0.18 0.61 0.11 0.00 -0.26 0.00 0.00 58.87 59.51 1a5w n SER 183 Cb 0.44 -0.73 -0.13 0.00 -0.26 0.00 0.00 64.21 63.54 1a5w n SER 183 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1a5w n LYS 184 N -2.05 0.62 -0.15 4.33 4.01 -0.38 -4.64 118.16 119.89 1a5w n LYS 184 Ca 0.03 -0.12 -0.05 0.00 -0.51 0.00 0.00 58.31 57.66 1a5w n LYS 184 Cb 0.25 -1.58 0.04 0.00 -0.51 0.00 0.00 35.03 33.23 1a5w n LYS 184 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1a5w h GLN 185 N 0.00 0.46 -0.46 1.97 4.20 -1.36 -2.33 115.11 117.60 1a5w h GLN 185 Ca 0.00 -0.03 0.04 0.00 0.06 0.00 0.00 58.65 58.72 1a5w h GLN 185 Cb 0.98 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.61 1a5w h GLN 185 CO 0.00 0.31 0.23 0.78 -0.67 0.00 0.00 178.83 179.48 1a5w h GLY 186 N 0.48 0.63 1.64 3.46 0.00 -1.82 0.89 103.07 108.35 1a5w h GLY 186 Ca 0.20 -0.16 -0.16 0.00 0.00 0.00 0.00 47.33 47.21 1a5w h GLY 186 CO -0.14 0.11 -0.63 0.83 0.00 0.00 0.00 176.54 176.71 1a5w h GLU 187 N 0.46 0.37 -0.40 4.80 5.08 -1.83 -1.86 114.58 121.19 1a5w h GLU 187 Ca 0.20 -0.26 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1a5w h GLU 187 Cb 0.10 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1a5w h GLU 187 CO -0.14 0.88 -0.33 1.25 -1.00 0.00 0.00 179.01 179.68 1a5w h LEU 188 N 0.27 0.96 -0.49 1.33 6.46 -1.21 -0.95 115.31 121.68 1a5w h LEU 188 Ca -0.01 -0.41 -0.02 0.00 -0.12 0.00 0.00 57.88 57.32 1a5w h LEU 188 Cb 1.17 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.81 1a5w h LEU 188 CO 0.11 1.20 0.22 0.25 -0.62 0.00 0.00 178.44 179.60 1a5w h LEU 189 N 0.77 0.66 -0.87 2.25 5.85 -0.68 -1.25 115.31 122.04 1a5w h LEU 189 Ca 0.08 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1a5w h LEU 189 Cb 0.90 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1a5w h LEU 189 CO 0.08 0.62 0.49 0.00 -0.34 0.00 0.00 178.44 179.28 1a5w h ALA 190 N 1.07 1.11 -0.76 1.25 0.00 -1.25 -1.18 119.26 119.50 1a5w h ALA 190 Ca 0.17 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1a5w h ALA 190 Cb 0.14 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1a5w h ALA 190 CO -0.02 0.61 0.26 -0.22 0.00 0.00 0.00 179.25 179.88 1a5w h LYS 191 N 1.21 1.17 -0.59 0.00 3.64 -0.94 -0.63 116.57 120.43 1a5w h LYS 191 Ca 0.31 -0.24 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1a5w h LYS 191 Cb 0.01 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 1a5w h LYS 191 CO -0.05 0.98 -0.00 0.00 -2.27 0.00 0.00 179.45 178.10 1a5w h ALA 192 N 1.14 0.89 -0.15 5.00 0.00 -0.91 -1.44 119.26 123.78 1a5w h ALA 192 Ca 0.25 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1a5w h ALA 192 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1a5w h ALA 192 CO -0.01 0.66 0.04 1.98 0.00 0.00 0.00 179.25 181.92 1a5w h MET 193 N 0.94 0.24 -0.36 0.00 1.85 -1.03 -1.33 114.93 115.24 1a5w h MET 193 Ca 0.17 -0.05 0.05 0.00 -0.61 0.00 0.00 59.70 59.26 1a5w h MET 193 Cb 0.54 -0.03 -0.05 0.00 0.43 0.00 0.00 31.60 32.49 1a5w h MET 193 CO 0.03 0.38 0.06 -0.92 -0.40 0.00 0.00 176.91 176.06 1a5w h TYR 194 N 0.06 0.10 -0.10 1.39 3.20 -1.04 -2.03 116.97 118.55 1a5w h TYR 194 Ca 0.05 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.96 1a5w h TYR 194 Cb 0.24 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 1a5w h TYR 194 CO 0.00 0.01 -0.00 0.00 -1.64 0.00 0.00 178.16 176.53 1a5w h ALA 195 N 1.27 0.08 -0.68 1.82 0.00 -1.13 -2.84 119.26 117.79 1a5w h ALA 195 Ca 0.17 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1a5w h ALA 195 Cb 0.20 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1a5w h ALA 195 CO -0.23 -0.47 0.45 -0.07 0.00 0.00 0.00 179.25 178.93 1a5w h LEU 196 N 0.03 0.74 0.00 0.00 3.38 -1.16 0.71 115.31 119.01 1a5w h LEU 196 Ca 0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1a5w h LEU 196 Cb 0.05 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1a5w h LEU 196 CO -0.08 0.52 0.00 0.59 0.09 0.00 0.00 178.44 179.56 1a5w n ASN 197 N -4.45 0.00 0.00 -0.43 3.02 -0.77 -4.86 115.26 107.77 1a5w n ASN 197 Ca 0.08 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.90 1a5w n ASN 197 Cb 0.09 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.26 1a5w n ASN 197 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1a5w n HIS 198 N -0.61 0.00 0.31 3.10 8.25 0.24 -5.06 115.22 121.45 1a5w n HIS 198 Ca 0.05 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.54 1a5w n HIS 198 Cb 0.02 0.00 0.15 0.00 1.12 0.00 0.00 29.99 31.28 1a5w n HIS 198 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95