#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y6h s VAL 2 N 0.00 4.75 0.29 0.44 1.01 -1.26 -4.38 120.40 121.24 1y6h s VAL 2 Ca 0.00 2.00 0.07 0.00 0.00 0.00 0.00 61.98 64.06 1y6h s VAL 2 Cb 0.00 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1y6h s VAL 2 CO 0.00 0.04 0.23 -0.13 0.00 0.00 0.00 175.10 175.23 1y6h s ARG 3 N 1.82 2.81 0.14 2.72 0.52 -1.26 -4.97 118.95 120.74 1y6h s ARG 3 Ca 0.50 -1.17 -0.30 0.00 -0.52 0.00 0.00 55.73 54.23 1y6h s ARG 3 Cb -0.19 -2.51 -0.08 0.00 0.52 0.00 0.00 34.95 32.69 1y6h s ARG 3 CO 0.20 0.27 1.28 0.21 0.02 0.00 0.00 175.30 177.29 1y6h s LYS 4 N -3.90 4.40 -0.23 3.54 2.36 -1.26 -4.90 119.74 119.75 1y6h s LYS 4 Ca 0.36 1.95 -0.18 0.00 -2.55 0.00 0.00 55.97 55.55 1y6h s LYS 4 Cb -0.07 -3.25 -0.03 0.00 -1.05 0.00 0.00 37.83 33.43 1y6h s LYS 4 CO 0.25 -0.26 0.50 0.42 1.55 0.00 0.00 175.35 177.81 1y6h s ILE 5 N 0.55 5.10 0.29 5.43 1.01 -1.26 -4.44 121.20 127.88 1y6h s ILE 5 Ca 0.58 0.87 -0.29 0.00 0.00 0.00 0.00 60.65 61.81 1y6h s ILE 5 Cb -0.34 -3.81 -0.10 0.00 0.01 0.00 0.00 42.46 38.22 1y6h s ILE 5 CO 0.34 0.14 1.26 -0.76 0.00 0.00 0.00 174.94 175.91 1y6h s LEU 6 N 1.96 4.46 0.29 2.97 1.43 0.15 -4.96 118.68 124.97 1y6h s LEU 6 Ca 0.22 2.53 0.04 0.00 -1.03 0.00 0.00 54.13 55.88 1y6h s LEU 6 Cb -0.15 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 1y6h s LEU 6 CO 0.09 -0.44 0.44 -0.13 0.23 0.00 0.00 176.35 176.54 1y6h s ARG 7 N -1.37 3.40 0.22 1.70 0.52 -1.26 -4.39 118.95 117.77 1y6h s ARG 7 Ca 0.49 -0.66 -0.32 0.00 -0.52 0.00 0.00 55.73 54.73 1y6h s ARG 7 Cb -0.37 -2.81 -0.14 0.00 0.52 0.00 0.00 34.95 32.15 1y6h s ARG 7 CO 0.47 0.28 1.38 -0.12 0.02 0.00 0.00 175.30 177.34 1y6h n MET 8 N -1.57 1.90 0.00 3.54 0.00 0.13 -1.86 117.12 119.27 1y6h n MET 8 Ca -0.06 0.68 0.00 0.00 -0.00 0.00 0.00 57.70 58.31 1y6h n MET 8 Cb 0.57 -2.32 0.00 0.00 0.00 0.00 0.00 33.22 31.47 1y6h n MET 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1y6h n GLY 9 N 2.22 1.19 3.66 -5.12 0.00 -1.26 -5.06 105.19 100.82 1y6h n GLY 9 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 1y6h n GLY 9 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y6h s ASP 10 N -1.20 6.99 0.49 1.61 -1.08 -0.78 -4.92 116.67 117.79 1y6h s ASP 10 Ca 0.00 1.50 0.30 0.00 -0.52 0.00 0.00 52.55 53.83 1y6h s ASP 10 Cb 0.00 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.31 1y6h s ASP 10 CO 0.00 -0.75 1.81 -0.65 0.52 0.00 0.00 175.17 176.10 1y6h h PRO 11 N 7.94 0.13 -0.89 4.34 0.11 -1.98 -1.79 132.00 139.86 1y6h h PRO 11 Ca -0.23 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.94 1y6h h PRO 11 Cb 1.08 -0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.10 1y6h h PRO 11 CO 0.98 0.08 0.55 0.82 -0.21 0.00 0.00 178.00 180.23 1y6h h ILE 12 N 0.13 1.03 0.00 4.15 1.08 -1.94 -0.57 117.51 121.38 1y6h h ILE 12 Ca 0.55 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.68 1y6h h ILE 12 Cb 1.91 -0.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.62 1y6h h ILE 12 CO -0.10 0.18 0.00 0.18 -0.69 0.00 0.00 178.15 177.72 1y6h n LEU 13 N -4.61 0.56 -0.73 1.44 4.32 -0.67 -1.29 117.00 116.01 1y6h n LEU 13 Ca 0.13 0.76 0.07 0.00 -0.02 0.00 0.00 56.01 56.95 1y6h n LEU 13 Cb 0.20 -0.83 0.16 0.00 -1.62 0.00 0.00 43.42 41.33 1y6h n LEU 13 CO 0.30 -0.95 0.62 0.54 -1.22 0.00 0.00 177.39 176.68 1y6h n ARG 14 N -2.25 2.40 -2.48 3.23 3.00 -0.23 -4.08 116.66 116.25 1y6h n ARG 14 Ca -0.01 -1.98 -0.23 0.00 -0.01 0.00 0.00 57.85 55.61 1y6h n ARG 14 Cb 0.04 -1.32 0.05 0.00 0.00 0.00 0.00 32.46 31.23 1y6h n ARG 14 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1y6h s LYS 15 N -1.03 2.45 -0.05 5.56 -0.14 -0.41 -4.56 119.74 121.56 1y6h s LYS 15 Ca 0.26 -0.53 -0.16 0.00 -1.36 0.00 0.00 55.97 54.18 1y6h s LYS 15 Cb 0.14 -2.36 -0.05 0.00 -1.68 0.00 0.00 37.83 33.88 1y6h s LYS 15 CO 0.19 -0.89 0.42 0.42 -0.76 0.00 0.00 175.35 174.72 1y6h s ILE 16 N -2.95 5.09 0.12 2.17 -1.09 -1.26 -2.47 121.20 120.81 1y6h s ILE 16 Ca 0.58 0.84 -0.15 0.00 -2.23 0.00 0.00 60.65 59.69 1y6h s ILE 16 Cb -0.10 -3.73 -0.07 0.00 -1.58 0.00 0.00 42.46 36.97 1y6h s ILE 16 CO 0.41 0.49 0.54 -0.44 -1.23 0.00 0.00 174.94 174.72 1y6h s SER 17 N -0.47 6.88 0.24 3.58 0.01 0.03 -4.90 113.70 119.07 1y6h s SER 17 Ca 0.24 1.11 -0.09 0.00 1.31 0.00 0.00 55.95 58.51 1y6h s SER 17 Cb -0.16 -2.30 -0.07 0.00 0.21 0.00 0.00 66.02 63.70 1y6h s SER 17 CO 0.12 0.16 0.55 -1.61 0.41 0.00 0.00 173.24 172.87 1y6h s GLU 18 N -1.71 3.79 0.91 12.44 2.02 -0.09 -4.56 118.70 131.50 1y6h s GLU 18 Ca 0.35 0.26 -0.10 0.00 0.02 0.00 0.00 54.97 55.50 1y6h s GLU 18 Cb -0.16 -2.64 0.14 0.00 0.10 0.00 0.00 34.13 31.57 1y6h s GLU 18 CO 0.19 0.30 1.15 -2.14 0.02 0.00 0.00 175.26 174.78 1y6h s PRO 19 N -2.88 1.04 -0.05 0.39 0.02 -1.26 0.22 135.00 132.48 1y6h s PRO 19 Ca 0.47 1.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.04 1y6h s PRO 19 Cb -0.11 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.64 1y6h s PRO 19 CO 0.22 -2.62 0.04 0.08 -0.33 0.00 0.00 177.00 174.39 1y6h s VAL 20 N -2.63 4.54 0.50 3.83 1.01 -1.26 -4.69 120.40 121.70 1y6h s VAL 20 Ca 0.67 -0.31 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 1y6h s VAL 20 Cb -0.23 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 1y6h s VAL 20 CO 0.58 0.49 0.77 0.42 0.00 0.00 0.00 175.10 177.36 1y6h s THR 21 N -1.03 4.13 0.32 3.92 -4.23 -1.26 -4.92 115.64 112.57 1y6h s THR 21 Ca 0.17 -0.16 0.05 0.00 -1.18 0.00 0.00 61.69 60.58 1y6h s THR 21 Cb -0.12 -3.57 0.10 0.00 1.34 0.00 0.00 72.50 70.25 1y6h s THR 21 CO 0.07 -0.51 1.79 -0.33 -0.54 0.00 0.00 174.62 175.11 1y6h h GLU 22 N 0.17 0.40 -0.32 3.99 5.08 -2.00 -2.37 114.58 119.52 1y6h h GLU 22 Ca -0.46 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 57.64 1y6h h GLU 22 Cb 1.24 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1y6h h GLU 22 CO 0.60 0.58 -0.32 -0.44 -1.00 0.00 0.00 179.01 178.43 1y6h h ASP 23 N 0.37 0.85 -0.99 1.42 3.32 -2.02 -3.22 116.42 116.15 1y6h h ASP 23 Ca 0.06 -0.47 0.13 0.00 0.02 0.00 0.00 57.03 56.78 1y6h h ASP 23 Cb 0.55 -0.24 -0.09 0.00 0.22 0.00 0.00 39.33 39.78 1y6h h ASP 23 CO 0.04 1.14 0.62 -0.08 -1.72 0.00 0.00 179.24 179.24 1y6h h GLU 24 N 0.56 0.90 0.00 3.56 4.81 -1.82 -0.95 114.58 121.65 1y6h h GLU 24 Ca 0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1y6h h GLU 24 Cb 0.91 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1y6h h GLU 24 CO 0.08 0.59 0.00 0.44 -0.73 0.00 0.00 179.01 179.39 1y6h n ILE 25 N -4.63 0.94 0.84 2.32 -5.35 -1.04 -1.48 119.36 110.96 1y6h n ILE 25 Ca 0.19 0.23 0.09 0.00 -0.27 0.00 0.00 62.75 63.00 1y6h n ILE 25 Cb 0.40 -1.08 -0.04 0.00 -1.74 0.00 0.00 39.64 37.18 1y6h n ILE 25 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1y6h n GLN 26 N -1.34 1.33 -2.40 6.28 6.02 -0.36 -4.77 117.38 122.14 1y6h n GLN 26 Ca 0.04 -0.53 -0.34 0.00 -0.01 0.00 0.00 57.00 56.16 1y6h n GLN 26 Cb 0.08 -1.35 -0.02 0.00 1.02 0.00 0.00 30.24 29.97 1y6h n GLN 26 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1y6h s THR 27 N -2.37 3.71 0.33 5.09 -4.23 -0.55 -4.94 115.64 112.69 1y6h s THR 27 Ca 0.12 1.01 0.07 0.00 -1.18 0.00 0.00 61.69 61.71 1y6h s THR 27 Cb 0.14 -3.41 0.10 0.00 1.34 0.00 0.00 72.50 70.67 1y6h s THR 27 CO 0.58 -0.29 1.80 0.07 -0.54 0.00 0.00 174.62 176.25 1y6h h LYS 28 N 1.26 0.27 -0.21 3.99 2.10 -1.94 -2.41 116.57 119.64 1y6h h LYS 28 Ca -0.49 -0.09 0.02 0.00 -2.00 0.00 0.00 60.65 58.09 1y6h h LYS 28 Cb 1.23 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 32.51 1y6h h LYS 28 CO 0.58 0.52 0.05 0.93 -2.00 0.00 0.00 179.45 179.53 1y6h h GLU 29 N 0.25 0.13 -0.29 0.07 3.07 -1.92 0.86 114.58 116.75 1y6h h GLU 29 Ca 0.04 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1y6h h GLU 29 Cb 0.59 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.46 1y6h h GLU 29 CO 0.04 0.09 0.18 0.35 -1.40 0.00 0.00 179.01 178.27 1y6h h PHE 30 N 0.14 0.35 -0.58 4.33 3.57 -1.71 -1.25 116.94 121.78 1y6h h PHE 30 Ca 0.09 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 1y6h h PHE 30 Cb 0.08 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.68 1y6h h PHE 30 CO -0.14 0.21 0.18 0.87 -2.23 0.00 0.00 178.31 177.20 1y6h h LYS 31 N 0.38 0.87 -0.59 1.11 1.57 -1.07 0.11 116.57 118.95 1y6h h LYS 31 Ca 0.11 -0.16 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 1y6h h LYS 31 Cb -0.03 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1y6h h LYS 31 CO -0.04 0.76 0.11 0.87 -0.57 0.00 0.00 179.45 180.59 1y6h h LYS 32 N 0.85 0.93 -0.36 3.15 1.57 -0.45 -0.23 116.57 122.02 1y6h h LYS 32 Ca 0.19 -0.22 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1y6h h LYS 32 Cb 0.25 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1y6h h LYS 32 CO -0.01 0.85 -0.08 1.25 -0.57 0.00 0.00 179.45 180.89 1y6h h LEU 33 N 0.88 0.70 0.02 2.94 5.85 -0.47 -0.53 115.31 124.72 1y6h h LEU 33 Ca 0.19 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1y6h h LEU 33 Cb 0.36 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1y6h h LEU 33 CO 0.00 0.90 -0.01 0.40 -0.34 0.00 0.00 178.44 179.39 1y6h h ILE 34 N 0.49 0.99 -0.56 4.05 1.08 -0.41 0.25 117.51 123.40 1y6h h ILE 34 Ca 0.09 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.56 1y6h h ILE 34 Cb 0.59 1.01 -0.04 0.00 -3.07 0.00 0.00 36.82 35.31 1y6h h ILE 34 CO 0.03 0.01 0.33 0.03 -0.69 0.00 0.00 178.15 177.86 1y6h h ARG 35 N -0.05 0.62 -0.71 2.37 -0.00 -0.99 -0.94 114.38 114.69 1y6h h ARG 35 Ca -0.00 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.98 59.41 1y6h h ARG 35 Cb 0.04 -0.14 -0.03 0.00 0.00 0.00 0.00 29.97 29.84 1y6h h ARG 35 CO 0.01 0.41 0.32 -0.44 0.00 0.00 0.00 179.97 180.27 1y6h h ASP 36 N 0.64 0.92 -0.51 7.04 5.19 -0.63 0.23 116.42 129.31 1y6h h ASP 36 Ca 0.23 -0.11 -0.10 0.00 -0.62 0.00 0.00 57.03 56.43 1y6h h ASP 36 Cb 0.06 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.31 1y6h h ASP 36 CO -0.12 0.79 -0.07 0.24 -3.12 0.00 0.00 179.24 176.97 1y6h h MET 37 N 1.01 0.97 -0.26 3.56 2.86 0.22 -0.25 114.93 123.04 1y6h h MET 37 Ca 0.24 -0.33 -0.12 0.00 -2.06 0.00 0.00 59.70 57.43 1y6h h MET 37 Cb 0.13 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.71 1y6h h MET 37 CO -0.03 1.00 -0.32 0.74 1.06 0.00 0.00 176.91 179.36 1y6h h PHE 38 N 0.88 0.82 -0.17 -0.22 -1.00 -0.74 0.49 116.94 117.00 1y6h h PHE 38 Ca 0.15 -0.26 0.04 0.00 2.81 0.00 0.00 57.97 60.70 1y6h h PHE 38 Cb 0.61 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 1y6h h PHE 38 CO 0.04 1.01 -0.05 -0.44 -1.61 0.00 0.00 178.31 177.26 1y6h h ASP 39 N 0.40 -0.18 -0.21 2.17 3.32 -0.82 0.79 116.42 121.88 1y6h h ASP 39 Ca 0.03 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 1y6h h ASP 39 Cb 0.90 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1y6h h ASP 39 CO 0.08 -0.07 0.13 0.74 -1.72 0.00 0.00 179.24 178.40 1y6h h THR 40 N -0.01 1.08 -0.30 0.35 2.02 -0.97 0.14 112.91 115.22 1y6h h THR 40 Ca 0.09 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1y6h h THR 40 Cb 0.14 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1y6h h THR 40 CO -0.18 0.07 0.19 -0.03 0.37 0.00 0.00 175.52 175.94 1y6h h MET 41 N 0.26 0.40 -0.17 6.66 1.85 -0.57 -1.34 114.93 122.01 1y6h h MET 41 Ca 0.07 -0.03 -0.02 0.00 -0.61 0.00 0.00 59.70 59.11 1y6h h MET 41 Cb 0.01 -0.09 -0.01 0.00 0.43 0.00 0.00 31.60 31.94 1y6h h MET 41 CO -0.01 0.28 0.02 0.00 -0.40 0.00 0.00 176.91 176.80 1y6h h ARG 42 N 0.40 0.29 -0.17 0.39 3.08 -0.67 0.13 114.38 117.82 1y6h h ARG 42 Ca 0.11 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1y6h h ARG 42 Cb -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1y6h h ARG 42 CO -0.02 0.47 0.12 1.25 -1.07 0.00 0.00 179.97 180.71 1y6h h HIS 43 N 0.07 0.12 -0.01 3.04 2.76 -0.61 0.67 115.15 121.19 1y6h h HIS 43 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1y6h h HIS 43 Cb 0.32 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.24 1y6h h HIS 43 CO 0.02 0.07 -0.10 0.00 -1.30 0.00 0.00 177.93 176.62 1y6h n ALA 44 N -2.54 2.78 -3.22 5.26 0.00 -0.52 -4.94 120.51 117.34 1y6h n ALA 44 Ca 0.00 -0.41 -0.21 0.00 0.00 0.00 0.00 53.44 52.82 1y6h n ALA 44 Cb 0.16 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.49 1y6h n ALA 44 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1y6h n GLU 45 N -0.24 -5.89 -2.58 0.00 1.02 0.23 -5.00 120.64 108.17 1y6h n GLU 45 Ca 0.16 0.81 -0.22 0.00 -0.02 0.00 0.00 57.16 57.90 1y6h n GLU 45 Cb 0.34 -5.60 0.05 0.00 -0.02 0.00 0.00 31.44 26.21 1y6h n GLU 45 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1y6h s GLY 46 N -2.99 1.81 0.00 0.62 0.00 0.33 -4.47 107.32 102.61 1y6h s GLY 46 Ca 0.40 -1.32 0.11 0.00 0.00 0.00 0.00 44.72 43.92 1y6h s GLY 46 CO 0.50 -1.00 0.54 3.33 0.00 0.00 0.00 173.10 176.48 1y6h n VAL 47 N -2.46 0.00 -3.46 1.40 0.24 -1.26 -4.71 118.33 108.08 1y6h n VAL 47 Ca 0.09 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 1y6h n VAL 47 Cb 0.60 1.04 -0.02 0.00 -1.47 0.00 0.00 33.84 33.99 1y6h n VAL 47 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1y6h s GLY 48 N -1.92 -0.56 -0.26 7.63 0.00 -1.26 -1.07 107.32 109.88 1y6h s GLY 48 Ca 0.06 0.63 -0.17 0.00 0.00 0.00 0.00 44.72 45.24 1y6h s GLY 48 CO 0.42 0.21 0.65 -2.27 0.00 0.00 0.00 173.10 172.10 1y6h s LEU 49 N -2.67 -0.75 -0.01 0.66 2.96 0.00 -4.92 118.68 113.95 1y6h s LEU 49 Ca 0.03 1.40 0.01 0.00 -0.22 0.00 0.00 54.13 55.34 1y6h s LEU 49 Cb -0.01 2.23 -0.04 0.00 0.50 0.00 0.00 46.19 48.87 1y6h s LEU 49 CO -0.11 -0.23 0.02 0.00 -1.32 0.00 0.00 176.35 174.71 1y6h s ALA 50 N 1.33 3.36 0.28 5.97 0.00 -1.26 -1.26 121.76 130.18 1y6h s ALA 50 Ca -0.08 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 50.98 1y6h s ALA 50 Cb -0.05 -1.41 0.65 0.00 0.00 0.00 0.00 23.12 22.31 1y6h s ALA 50 CO -0.15 0.65 1.71 0.00 0.00 0.00 0.00 175.76 177.98 1y6h h ALA 51 N 4.35 1.36 -0.18 0.00 0.00 -1.25 0.72 119.26 124.26 1y6h h ALA 51 Ca -0.49 0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.61 1y6h h ALA 51 Cb 1.18 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1y6h h ALA 51 CO 0.58 -0.27 0.14 -1.00 0.00 0.00 0.00 179.25 178.71 1y6h h PRO 52 N 0.45 0.00 0.00 0.00 0.13 -1.00 -0.21 132.00 131.37 1y6h h PRO 52 Ca 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.65 1y6h h PRO 52 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1y6h h PRO 52 CO -0.48 0.00 0.00 1.96 -0.23 0.00 0.00 178.00 179.25 1y6h h GLN 53 N 0.00 0.00 -0.17 0.86 4.20 -1.13 0.13 115.11 119.00 1y6h h GLN 53 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1y6h h GLN 53 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 1y6h h GLN 53 CO -0.00 0.00 0.00 0.44 -0.67 0.00 0.00 178.83 178.60 1y6h n ILE 54 N -2.98 1.75 -0.39 2.54 -5.35 -0.23 0.30 119.36 114.99 1y6h n ILE 54 Ca -0.02 -1.68 0.00 0.00 -0.27 0.00 0.00 62.75 60.78 1y6h n ILE 54 Cb 0.11 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.02 1y6h n ILE 54 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1y6h n GLY 55 N -0.55 0.73 3.41 3.28 0.00 0.46 -4.90 105.19 107.62 1y6h n GLY 55 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1y6h n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y6h s ILE 56 N -2.52 4.53 -1.46 -0.61 -1.09 -0.39 -4.91 121.20 114.75 1y6h s ILE 56 Ca 0.00 -0.56 -0.10 0.00 -2.23 0.00 0.00 60.65 57.76 1y6h s ILE 56 Cb 0.00 -3.37 0.03 0.00 -1.58 0.00 0.00 42.46 37.55 1y6h s ILE 56 CO 0.00 -0.01 2.43 0.18 -1.23 0.00 0.00 174.94 176.31 1y6h n LEU 57 N 4.97 7.65 -4.17 2.97 4.77 -1.26 -0.47 117.00 131.45 1y6h n LEU 57 Ca -0.13 -4.43 -0.21 0.00 -0.03 0.00 0.00 56.01 51.21 1y6h n LEU 57 Cb 0.48 -1.55 -0.13 0.00 -2.33 0.00 0.00 43.42 39.89 1y6h n LEU 57 CO 0.34 1.63 -0.48 -0.54 -1.33 0.00 0.00 177.39 177.01 1y6h s LYS 58 N 1.64 1.03 -0.97 3.23 -0.14 -1.26 -0.91 119.74 122.36 1y6h s LYS 58 Ca 0.54 -0.82 -0.16 0.00 -1.36 0.00 0.00 55.97 54.16 1y6h s LYS 58 Cb 0.15 -1.07 -0.10 0.00 -1.68 0.00 0.00 37.83 35.13 1y6h s LYS 58 CO -0.06 0.27 2.07 1.04 -0.76 0.00 0.00 175.35 177.90 1y6h n GLN 59 N 1.82 1.98 -4.51 1.68 6.02 0.13 -4.42 117.38 120.09 1y6h n GLN 59 Ca -0.18 -1.92 -0.30 0.00 -0.01 0.00 0.00 57.00 54.59 1y6h n GLN 59 Cb 0.54 -2.88 -0.17 0.00 1.02 0.00 0.00 30.24 28.76 1y6h n GLN 59 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1y6h s ILE 60 N 4.19 1.75 -0.03 5.09 1.01 -1.26 -1.14 121.20 130.81 1y6h s ILE 60 Ca 0.52 -0.79 0.02 0.00 0.00 0.00 0.00 60.65 60.41 1y6h s ILE 60 Cb 0.14 -1.58 0.01 0.00 0.01 0.00 0.00 42.46 41.04 1y6h s ILE 60 CO 0.04 0.49 -0.09 -0.69 0.00 0.00 0.00 174.94 174.69 1y6h s VAL 61 N 0.95 0.80 -0.02 2.92 1.01 0.29 -0.95 120.40 125.40 1y6h s VAL 61 Ca -0.06 -0.34 0.07 0.00 0.00 0.00 0.00 61.98 61.65 1y6h s VAL 61 Cb -0.15 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1y6h s VAL 61 CO -0.03 0.26 -0.22 0.68 0.00 0.00 0.00 175.10 175.79 1y6h s VAL 62 N 0.37 2.38 0.22 2.92 -7.23 -0.39 0.01 120.40 118.69 1y6h s VAL 62 Ca -0.06 -1.04 0.01 0.00 -1.81 0.00 0.00 61.98 59.08 1y6h s VAL 62 Cb -0.11 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 1y6h s VAL 62 CO 0.01 0.55 0.09 0.68 -0.31 0.00 0.00 175.10 176.12 1y6h s VAL 63 N -0.68 0.42 0.00 1.32 -7.23 -0.98 -0.82 120.40 112.43 1y6h s VAL 63 Ca 0.11 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1y6h s VAL 63 Cb -0.10 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.34 1y6h s VAL 63 CO 0.00 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 1y6h n GLY 64 N -0.37 4.22 3.20 2.32 0.00 -0.23 -2.18 105.19 112.15 1y6h n GLY 64 Ca -0.01 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 1y6h n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y6h s SER 65 N 0.00 -0.39 -0.24 1.61 1.04 0.18 -4.42 113.70 111.48 1y6h s SER 65 Ca 0.00 0.72 0.02 0.00 0.48 0.00 0.00 55.95 57.17 1y6h s SER 65 Cb 0.00 0.66 0.05 0.00 0.10 0.00 0.00 66.02 66.83 1y6h s SER 65 CO 0.00 -0.16 -0.11 -0.70 0.98 0.00 0.00 173.24 173.26 1y6h s GLU 66 N 0.85 2.19 -1.36 4.02 2.56 -1.26 -1.33 118.70 124.37 1y6h s GLU 66 Ca -0.05 -1.17 -0.01 0.00 0.00 0.00 0.00 54.97 53.74 1y6h s GLU 66 Cb -0.06 -2.74 -0.00 0.00 2.00 0.00 0.00 34.13 33.32 1y6h s GLU 66 CO -0.06 -0.52 0.53 -0.25 -0.56 0.00 0.00 175.26 174.40 1y6h n ASP 67 N 4.52 -0.86 -4.70 -1.70 8.00 -1.26 -4.82 116.55 115.73 1y6h n ASP 67 Ca -0.15 -0.95 -0.44 0.00 0.71 0.00 0.00 54.79 53.97 1y6h n ASP 67 Cb 0.44 -3.39 -0.03 0.00 -0.02 0.00 0.00 41.12 38.12 1y6h n ASP 67 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1y6h n ASN 68 N -2.99 3.47 0.05 -2.24 2.85 -1.26 -4.91 115.26 110.23 1y6h n ASN 68 Ca -0.30 1.09 -0.03 0.00 -0.11 0.00 0.00 54.58 55.24 1y6h n ASN 68 Cb 0.68 -1.50 -0.08 0.00 1.24 0.00 0.00 39.78 40.12 1y6h n ASN 68 CO 0.00 0.00 0.00 1.05 -2.11 0.00 0.00 177.26 176.20 1y6h h GLU 69 N 5.79 0.00 0.00 1.20 -0.00 -1.87 -3.20 114.58 116.49 1y6h h GLU 69 Ca -0.45 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 58.86 1y6h h GLU 69 Cb 1.23 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.98 1y6h h GLU 69 CO 0.88 0.53 -0.25 0.00 -0.00 0.00 0.00 179.01 180.17 1y6h h ARG 70 N 0.00 0.00 -2.02 1.06 3.08 -1.91 -3.34 114.38 111.25 1y6h h ARG 70 Ca -0.12 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.37 1y6h h ARG 70 Cb 1.67 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 31.33 1y6h h ARG 70 CO 0.08 0.25 -1.06 0.66 -1.07 0.00 0.00 179.97 178.83 1y6h n TYR 71 N -3.32 0.13 0.02 3.04 4.02 -1.25 -5.02 117.16 114.79 1y6h n TYR 71 Ca 0.01 -3.64 0.21 0.00 -0.01 0.00 0.00 57.90 54.46 1y6h n TYR 71 Cb 0.49 -0.38 0.56 0.00 -0.02 0.00 0.00 39.34 39.99 1y6h n TYR 71 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1y6h h PRO 72 N 3.95 0.00 -0.00 -0.72 0.13 -1.68 -2.37 132.00 131.30 1y6h h PRO 72 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1y6h h PRO 72 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1y6h h PRO 72 CO 0.51 0.00 -0.83 0.41 -0.23 0.00 0.00 178.00 177.86 1y6h n GLY 73 N -1.55 -0.71 3.84 1.56 0.00 -1.26 -5.00 105.19 102.07 1y6h n GLY 73 Ca 0.12 -0.60 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 1y6h n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1y6h s THR 74 N -2.85 4.36 0.40 2.61 -4.23 -0.90 -5.06 115.64 109.98 1y6h s THR 74 Ca 0.11 1.05 -0.22 0.00 -1.18 0.00 0.00 61.69 61.45 1y6h s THR 74 Cb 0.17 -3.64 -0.10 0.00 1.34 0.00 0.00 72.50 70.26 1y6h s THR 74 CO 0.78 -0.73 0.96 -2.16 -0.54 0.00 0.00 174.62 172.93 1y6h s PRO 75 N -4.30 4.29 0.57 3.99 0.04 -1.26 -4.87 135.00 133.47 1y6h s PRO 75 Ca 0.59 1.21 -0.20 0.00 0.04 0.00 0.00 61.00 62.64 1y6h s PRO 75 Cb -0.12 -2.36 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 1y6h s PRO 75 CO 0.37 0.02 1.31 -0.51 0.04 0.00 0.00 177.00 178.23 1y6h s ASP 76 N -1.98 5.14 -0.17 6.66 1.01 -1.26 -4.96 116.67 121.10 1y6h s ASP 76 Ca 0.59 2.64 0.01 0.00 0.71 0.00 0.00 52.55 56.50 1y6h s ASP 76 Cb -0.13 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.20 1y6h s ASP 76 CO 0.17 -1.65 -0.17 -0.69 0.21 0.00 0.00 175.17 173.04 1y6h s VAL 77 N -1.39 1.87 0.37 -1.27 1.01 -0.44 -4.92 120.40 115.63 1y6h s VAL 77 Ca 0.75 -0.87 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 1y6h s VAL 77 Cb -0.37 -1.74 -0.10 0.00 0.00 0.00 0.00 36.38 34.17 1y6h s VAL 77 CO 0.42 0.46 1.41 -2.16 0.00 0.00 0.00 175.10 175.24 1y6h s PRO 78 N 1.36 4.15 0.18 2.72 0.04 -1.26 0.51 135.00 142.69 1y6h s PRO 78 Ca 0.04 2.41 -0.30 0.00 0.04 0.00 0.00 61.00 63.19 1y6h s PRO 78 Cb -0.13 -2.96 -0.09 0.00 0.04 0.00 0.00 34.50 31.36 1y6h s PRO 78 CO -0.12 -0.44 1.32 -1.21 0.04 0.00 0.00 177.00 176.60 1y6h s GLU 79 N -2.04 4.38 0.15 4.56 2.02 -1.25 -4.19 118.70 122.32 1y6h s GLU 79 Ca 0.52 2.06 -0.17 0.00 0.02 0.00 0.00 54.97 57.40 1y6h s GLU 79 Cb -0.43 -3.21 0.03 0.00 0.10 0.00 0.00 34.13 30.62 1y6h s GLU 79 CO 0.58 -0.29 0.45 -0.98 0.02 0.00 0.00 175.26 175.04 1y6h s ARG 80 N 0.11 1.19 -0.18 1.61 1.70 -0.93 -4.96 118.95 117.50 1y6h s ARG 80 Ca 0.58 -0.77 -0.07 0.00 -0.47 0.00 0.00 55.73 55.00 1y6h s ARG 80 Cb -0.36 0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 34.47 1y6h s ARG 80 CO 0.37 -0.48 0.05 0.42 -1.08 0.00 0.00 175.30 174.57 1y6h s ILE 81 N -3.83 4.65 -0.22 4.99 1.09 -1.26 -2.31 121.20 124.30 1y6h s ILE 81 Ca 0.06 -0.09 0.02 0.00 -1.10 0.00 0.00 60.65 59.54 1y6h s ILE 81 Cb 0.01 -3.09 0.04 0.00 -1.06 0.00 0.00 42.46 38.36 1y6h s ILE 81 CO -0.08 0.47 -0.14 -0.63 -0.10 0.00 0.00 174.94 174.45 1y6h s ILE 82 N 0.36 2.04 0.05 2.92 1.01 0.10 -4.39 121.20 123.29 1y6h s ILE 82 Ca 0.02 -1.26 0.06 0.00 0.00 0.00 0.00 60.65 59.47 1y6h s ILE 82 Cb -0.13 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1y6h s ILE 82 CO 0.01 0.23 -0.15 -0.76 0.00 0.00 0.00 174.94 174.26 1y6h s LEU 83 N 1.22 2.78 -1.59 2.97 1.43 0.39 -0.54 118.68 125.34 1y6h s LEU 83 Ca -0.02 -0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 52.62 1y6h s LEU 83 Cb -0.17 -1.62 0.08 0.00 0.03 0.00 0.00 46.19 44.51 1y6h s LEU 83 CO -0.09 0.24 0.41 0.59 0.23 0.00 0.00 176.35 177.74 1y6h n ASN 84 N 1.38 -0.91 -4.77 2.29 5.03 -0.29 -1.49 115.26 116.51 1y6h n ASN 84 Ca -0.16 -1.12 -0.36 0.00 0.87 0.00 0.00 54.58 53.81 1y6h n ASN 84 Cb 0.52 -2.34 0.00 0.00 -1.02 0.00 0.00 39.78 36.95 1y6h n ASN 84 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1y6h s PRO 85 N -7.00 3.50 -0.07 3.52 0.04 -1.26 -4.53 135.00 129.21 1y6h s PRO 85 Ca 0.31 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 63.07 1y6h s PRO 85 Cb -0.17 -2.20 0.03 0.00 0.04 0.00 0.00 34.50 32.20 1y6h s PRO 85 CO 0.95 -0.76 0.02 0.08 0.04 0.00 0.00 177.00 177.33 1y6h s VAL 86 N -1.63 0.28 -0.11 -0.36 1.01 0.33 -4.96 120.40 114.96 1y6h s VAL 86 Ca 0.69 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1y6h s VAL 86 Cb -0.27 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1y6h s VAL 86 CO 0.32 0.22 -0.11 -0.63 0.00 0.00 0.00 175.10 174.90 1y6h s ILE 87 N 2.01 3.25 -0.12 2.22 1.01 -1.26 -0.93 121.20 127.37 1y6h s ILE 87 Ca 0.05 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1y6h s ILE 87 Cb -0.12 -2.35 0.02 0.00 0.01 0.00 0.00 42.46 40.02 1y6h s ILE 87 CO -0.05 0.54 -0.11 -0.89 0.00 0.00 0.00 174.94 174.44 1y6h s THR 88 N -0.04 1.27 0.43 2.92 2.01 0.04 -4.96 115.64 117.30 1y6h s THR 88 Ca -0.02 -0.45 -0.25 0.00 0.31 0.00 0.00 61.69 61.27 1y6h s THR 88 Cb -0.14 -1.22 -0.08 0.00 0.01 0.00 0.00 72.50 71.07 1y6h s THR 88 CO 0.04 0.41 1.34 -2.84 -0.69 0.00 0.00 174.62 172.87 1y6h s PRO 89 N 1.48 3.83 0.00 4.92 0.02 -1.26 -0.37 135.00 143.62 1y6h s PRO 89 Ca 0.02 2.24 0.14 0.00 0.02 0.00 0.00 61.00 63.42 1y6h s PRO 89 Cb -0.13 -2.69 -0.08 0.00 0.02 0.00 0.00 34.50 31.62 1y6h s PRO 89 CO -0.07 -0.63 0.68 1.28 -0.33 0.00 0.00 177.00 177.92 1y6h n LEU 90 N -0.04 1.05 -3.90 -5.54 4.77 -0.04 -4.82 117.00 108.48 1y6h n LEU 90 Ca 0.04 -0.63 -0.09 0.00 -0.03 0.00 0.00 56.01 55.31 1y6h n LEU 90 Cb 0.43 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1y6h n LEU 90 CO 0.56 0.22 -0.07 0.28 -1.33 0.00 0.00 177.39 177.05 1y6h s THR 91 N -2.03 0.12 -0.58 -5.08 -1.32 -1.21 -5.01 115.64 100.53 1y6h s THR 91 Ca 0.08 -1.26 0.23 0.00 -1.21 0.00 0.00 61.69 59.53 1y6h s THR 91 Cb 0.11 -1.53 -0.14 0.00 -1.51 0.00 0.00 72.50 69.43 1y6h s THR 91 CO 0.47 -0.52 0.96 0.29 -2.21 0.00 0.00 174.62 173.60 1y6h n LYS 92 N -0.12 0.31 -2.05 7.08 4.76 -1.26 -4.77 118.16 122.11 1y6h n LYS 92 Ca -0.12 -0.02 -0.41 0.00 -2.87 0.00 0.00 58.31 54.89 1y6h n LYS 92 Cb 0.63 -1.58 -0.02 0.00 -1.84 0.00 0.00 35.03 32.21 1y6h n LYS 92 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1y6h s ASP 93 N -3.94 6.70 0.16 4.39 1.01 -1.26 -4.87 116.67 118.85 1y6h s ASP 93 Ca 0.03 2.69 0.05 0.00 0.71 0.00 0.00 52.55 56.02 1y6h s ASP 93 Cb 0.14 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1y6h s ASP 93 CO 0.82 -0.63 -0.11 0.42 0.21 0.00 0.00 175.17 175.88 1y6h s THR 94 N -0.56 1.27 -0.11 -1.27 -4.23 -1.26 -1.17 115.64 108.31 1y6h s THR 94 Ca 0.54 -2.07 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 1y6h s THR 94 Cb -0.41 -1.86 0.01 0.00 1.34 0.00 0.00 72.50 71.58 1y6h s THR 94 CO 0.48 -0.70 -0.18 -0.44 -0.54 0.00 0.00 174.62 173.24 1y6h s SER 95 N -3.15 2.65 0.51 3.99 0.01 -1.08 -4.83 113.70 111.79 1y6h s SER 95 Ca 0.17 -0.48 -0.18 0.00 1.31 0.00 0.00 55.95 56.78 1y6h s SER 95 Cb 0.02 -1.20 -0.08 0.00 0.21 0.00 0.00 66.02 64.96 1y6h s SER 95 CO 0.02 0.06 0.99 -0.83 0.41 0.00 0.00 173.24 173.89 1y6h s GLY 96 N 0.81 2.17 -0.27 3.44 0.00 -1.26 -3.50 107.32 108.71 1y6h s GLY 96 Ca -0.09 0.29 -0.20 0.00 0.00 0.00 0.00 44.72 44.72 1y6h s GLY 96 CO 0.01 0.58 0.70 -0.12 0.00 0.00 0.00 173.10 174.26 1y6h s PHE 97 N -2.46 -0.94 -1.07 1.90 5.36 -0.10 -4.96 117.98 115.71 1y6h s PHE 97 Ca 0.61 2.03 -0.22 0.00 -0.96 0.00 0.00 56.93 58.39 1y6h s PHE 97 Cb -0.11 0.47 0.03 0.00 -0.34 0.00 0.00 43.02 43.07 1y6h s PHE 97 CO 0.28 -0.46 1.60 -1.58 -1.46 0.00 0.00 175.22 173.60 1y6h s TRP 98 N 1.08 2.46 0.56 10.12 0.52 -1.26 -0.94 118.94 131.48 1y6h s TRP 98 Ca -0.06 -0.75 -0.16 0.00 0.02 0.00 0.00 56.10 55.16 1y6h s TRP 98 Cb -0.05 -4.59 -0.06 0.00 -1.15 0.00 0.00 33.47 27.62 1y6h s TRP 98 CO -0.11 -1.85 1.02 -1.21 0.02 0.00 0.00 176.95 174.82 1y6h s GLU 99 N 5.16 3.67 0.32 4.98 2.02 0.66 -4.66 118.70 130.85 1y6h s GLU 99 Ca 0.52 1.02 0.03 0.00 0.02 0.00 0.00 54.97 56.56 1y6h s GLU 99 Cb -0.00 -2.09 -0.05 0.00 0.10 0.00 0.00 34.13 32.09 1y6h s GLU 99 CO -0.04 -0.51 0.10 0.20 0.02 0.00 0.00 175.26 175.04 1y6h s GLY 100 N -3.11 2.07 -0.18 -1.39 0.00 -1.26 -0.73 107.32 102.72 1y6h s GLY 100 Ca 0.60 -1.78 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 1y6h s GLY 100 CO 0.36 -1.70 0.44 0.00 0.00 0.00 0.00 173.10 172.20 1y6h h LEU 102 N 6.46 0.00 -0.98 0.00 3.38 -1.97 0.41 115.31 122.62 1y6h h LEU 102 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1y6h h LEU 102 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1y6h h LEU 102 CO 0.26 0.00 -0.16 -1.20 0.09 0.00 0.00 178.44 177.43 1y6h n SER 103 N -3.07 1.68 -3.15 -0.43 7.64 -1.26 -4.18 113.62 110.85 1y6h n SER 103 Ca -0.03 -1.39 -0.23 0.00 1.01 0.00 0.00 58.87 58.23 1y6h n SER 103 Cb 0.13 0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 1y6h n SER 103 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1y6h n VAL 104 N 0.07 1.10 -1.72 0.44 0.31 0.14 0.22 118.33 118.90 1y6h n VAL 104 Ca 0.14 -4.88 -0.43 0.00 -0.01 0.00 0.00 64.34 59.17 1y6h n VAL 104 Cb 0.41 -1.22 -0.01 0.00 -0.91 0.00 0.00 33.84 32.11 1y6h n VAL 104 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1y6h n PRO 105 N 0.43 2.32 -1.00 5.55 -0.04 -1.20 -3.20 135.00 137.87 1y6h n PRO 105 Ca 0.27 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.55 1y6h n PRO 105 Cb 0.51 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1y6h n PRO 105 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y6h n GLY 106 N 1.25 0.49 3.31 0.55 0.00 -1.26 -5.03 105.19 104.50 1y6h n GLY 106 Ca 0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.92 1y6h n GLY 106 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1y6h s MET 107 N -0.09 1.29 -0.03 1.61 -1.94 -1.19 -0.93 119.30 118.02 1y6h s MET 107 Ca 0.00 -1.65 -0.12 0.00 -1.71 0.00 0.00 55.69 52.22 1y6h s MET 107 Cb 0.00 -0.52 0.02 0.00 2.01 0.00 0.00 34.83 36.34 1y6h s MET 107 CO 0.00 -0.11 0.25 1.03 -0.01 0.00 0.00 175.02 176.18 1y6h s ARG 108 N -3.88 0.55 -0.05 2.03 3.00 -0.77 -4.51 118.95 115.32 1y6h s ARG 108 Ca 0.28 -0.15 -0.10 0.00 0.00 0.00 0.00 55.73 55.76 1y6h s ARG 108 Cb 0.06 0.24 0.02 0.00 0.00 0.00 0.00 34.95 35.27 1y6h s ARG 108 CO 0.08 -0.14 0.24 0.20 0.00 0.00 0.00 175.30 175.68 1y6h s GLY 109 N -1.07 -0.12 -0.16 -3.53 0.00 0.09 -2.08 107.32 100.46 1y6h s GLY 109 Ca -0.11 0.38 -0.29 0.00 0.00 0.00 0.00 44.72 44.69 1y6h s GLY 109 CO 0.03 0.24 1.07 -0.47 0.00 0.00 0.00 173.10 173.96 1y6h s TYR 110 N -0.68 3.34 -0.03 1.90 5.04 -0.65 -0.24 117.35 126.03 1y6h s TYR 110 Ca -0.08 1.44 0.04 0.00 -2.44 0.00 0.00 57.07 56.03 1y6h s TYR 110 Cb -0.04 -3.28 -0.00 0.00 0.35 0.00 0.00 41.96 38.99 1y6h s TYR 110 CO 0.02 -0.59 -0.13 0.08 -1.34 0.00 0.00 175.55 173.58 1y6h s VAL 111 N 2.68 1.08 -0.28 3.14 1.01 -0.12 -1.23 120.40 126.69 1y6h s VAL 111 Ca 0.48 -0.54 -0.02 0.00 0.00 0.00 0.00 61.98 61.90 1y6h s VAL 111 Cb -0.18 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.30 1y6h s VAL 111 CO 0.13 0.32 -0.02 -1.61 0.00 0.00 0.00 175.10 173.92 1y6h s GLU 112 N 0.04 2.60 0.22 2.72 2.02 -1.26 -0.93 118.70 124.11 1y6h s GLU 112 Ca -0.02 -1.15 0.10 0.00 0.02 0.00 0.00 54.97 53.93 1y6h s GLU 112 Cb -0.09 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 1y6h s GLU 112 CO 0.01 -0.54 -0.15 1.03 0.02 0.00 0.00 175.26 175.63 1y6h s ARG 113 N 1.29 1.84 0.22 1.61 0.52 -1.23 -4.90 118.95 118.30 1y6h s ARG 113 Ca -0.03 -1.49 -0.32 0.00 -0.52 0.00 0.00 55.73 53.38 1y6h s ARG 113 Cb -0.19 -1.97 -0.14 0.00 0.52 0.00 0.00 34.95 33.17 1y6h s ARG 113 CO -0.02 0.39 1.34 -2.30 0.02 0.00 0.00 175.30 174.73 1y6h n PRO 114 N -0.19 1.78 -0.24 3.54 -0.02 -1.26 -2.63 135.00 135.98 1y6h n PRO 114 Ca -0.09 0.63 0.06 0.00 -2.02 0.00 0.00 63.50 62.08 1y6h n PRO 114 Cb 0.57 -2.25 0.18 0.00 -0.02 0.00 0.00 33.50 31.99 1y6h n PRO 114 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1y6h n ASN 115 N 2.14 2.32 -3.62 2.55 0.23 -0.32 -4.71 115.26 113.86 1y6h n ASN 115 Ca 0.13 -2.08 -0.11 0.00 -0.53 0.00 0.00 54.58 51.99 1y6h n ASN 115 Cb 0.29 -0.31 -0.11 0.00 -2.08 0.00 0.00 39.78 37.57 1y6h n ASN 115 CO 0.00 0.00 0.00 -1.58 -0.93 0.00 0.00 177.26 174.75 1y6h s GLN 116 N -1.55 0.25 0.17 -3.83 0.74 -1.26 -2.67 119.66 111.51 1y6h s GLN 116 Ca 0.27 0.84 0.01 0.00 0.05 0.00 0.00 55.36 56.52 1y6h s GLN 116 Cb 0.15 0.04 -0.05 0.00 1.10 0.00 0.00 33.01 34.25 1y6h s GLN 116 CO 0.16 -0.32 0.02 0.96 -0.55 0.00 0.00 175.29 175.56 1y6h s ILE 117 N 2.52 0.56 -0.16 -2.34 -4.36 0.10 -0.86 121.20 116.66 1y6h s ILE 117 Ca 0.01 -1.97 -0.03 0.00 -0.26 0.00 0.00 60.65 58.41 1y6h s ILE 117 Cb -0.13 -2.15 -0.02 0.00 1.25 0.00 0.00 42.46 41.41 1y6h s ILE 117 CO -0.11 -0.43 -0.07 -0.60 0.24 0.00 0.00 174.94 173.97 1y6h s ARG 118 N -3.95 3.53 -0.05 0.37 3.52 0.50 -0.05 118.95 122.81 1y6h s ARG 118 Ca 0.25 -0.59 0.04 0.00 -0.13 0.00 0.00 55.73 55.30 1y6h s ARG 118 Cb 0.06 -2.85 0.00 0.00 -1.56 0.00 0.00 34.95 30.60 1y6h s ARG 118 CO 0.04 0.14 -0.16 1.41 -0.81 0.00 0.00 175.30 175.92 1y6h s MET 119 N 0.60 1.83 -0.09 5.12 1.75 -0.17 -0.78 119.30 127.56 1y6h s MET 119 Ca -0.04 -0.57 0.03 0.00 -1.25 0.00 0.00 55.69 53.85 1y6h s MET 119 Cb -0.15 -1.55 -0.01 0.00 2.84 0.00 0.00 34.83 35.96 1y6h s MET 119 CO 0.03 0.19 -0.18 -0.65 -0.65 0.00 0.00 175.02 173.75 1y6h s GLN 120 N 0.21 2.90 0.25 4.11 -0.21 -0.11 -1.63 119.66 125.18 1y6h s GLN 120 Ca -0.07 -0.78 -0.20 0.00 0.02 0.00 0.00 55.36 54.33 1y6h s GLN 120 Cb -0.13 -2.40 0.06 0.00 1.00 0.00 0.00 33.01 31.55 1y6h s GLN 120 CO 0.03 0.35 0.91 1.67 -2.12 0.00 0.00 175.29 176.14 1y6h s TRP 121 N -0.05 0.03 -0.01 0.91 -2.14 -0.43 -0.51 118.94 116.74 1y6h s TRP 121 Ca -0.05 -0.51 0.04 0.00 2.66 0.00 0.00 56.10 58.24 1y6h s TRP 121 Cb -0.14 0.74 -0.01 0.00 -3.10 0.00 0.00 33.47 30.95 1y6h s TRP 121 CO 0.04 -1.15 -0.14 1.41 -2.66 0.00 0.00 176.95 174.45 1y6h s MET 122 N -2.57 1.11 0.50 3.25 -2.45 -0.55 0.29 119.30 118.88 1y6h s MET 122 Ca 0.17 -0.50 0.02 0.00 -1.25 0.00 0.00 55.69 54.13 1y6h s MET 122 Cb -0.04 -1.08 0.10 0.00 1.25 0.00 0.00 34.83 35.07 1y6h s MET 122 CO 0.07 0.29 0.69 -0.40 1.05 0.00 0.00 175.02 176.73 1y6h n ASP 123 N 2.71 1.16 0.03 1.11 5.68 -0.59 -0.46 116.55 126.20 1y6h n ASP 123 Ca -0.14 -1.93 0.06 0.00 -0.50 0.00 0.00 54.79 52.28 1y6h n ASP 123 Cb 0.55 -0.43 0.29 0.00 -1.14 0.00 0.00 41.12 40.39 1y6h n ASP 123 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1y6h n GLU 124 N -2.23 0.04 -0.02 0.11 -0.00 -1.26 -1.60 120.64 115.68 1y6h n GLU 124 Ca 0.12 0.37 0.13 0.00 -0.00 0.00 0.00 57.16 57.78 1y6h n GLU 124 Cb 0.44 -1.60 0.31 0.00 -0.00 0.00 0.00 31.44 30.59 1y6h n GLU 124 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1y6h n LYS 125 N -1.69 2.01 -0.58 3.44 5.02 -1.26 -4.79 118.16 120.32 1y6h n LYS 125 Ca 0.02 -1.48 0.00 0.00 -2.02 0.00 0.00 58.31 54.83 1y6h n LYS 125 Cb 0.13 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1y6h n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y6h n GLY 126 N 1.27 0.91 3.77 0.72 0.00 -0.63 -5.02 105.19 106.21 1y6h n GLY 126 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 1y6h n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1y6h s ASN 127 N -3.02 6.59 -0.13 1.61 0.01 -1.26 -4.77 114.94 113.97 1y6h s ASN 127 Ca 0.00 2.75 -0.05 0.00 -0.71 0.00 0.00 52.86 54.85 1y6h s ASN 127 Cb 0.00 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1y6h s ASN 127 CO 0.00 -0.67 0.07 -1.10 -1.51 0.00 0.00 177.10 173.89 1y6h s GLN 128 N -1.95 3.46 0.10 -0.60 -1.52 -1.26 -1.54 119.66 116.34 1y6h s GLN 128 Ca 0.51 -0.29 0.07 0.00 -1.95 0.00 0.00 55.36 53.70 1y6h s GLN 128 Cb -0.41 -3.07 -0.03 0.00 -0.22 0.00 0.00 33.01 29.28 1y6h s GLN 128 CO 0.54 0.60 -0.17 -0.06 -0.25 0.00 0.00 175.29 175.95 1y6h s PHE 129 N -0.55 1.48 -0.39 0.91 0.40 0.15 -4.98 117.98 115.00 1y6h s PHE 129 Ca 0.11 -0.46 0.04 0.00 -0.60 0.00 0.00 56.93 56.02 1y6h s PHE 129 Cb -0.12 -0.81 0.16 0.00 0.51 0.00 0.00 43.02 42.77 1y6h s PHE 129 CO 0.02 0.14 0.44 0.34 0.70 0.00 0.00 175.22 176.86 1y6h s ASP 130 N -1.96 0.51 0.32 1.36 -1.08 -1.25 -1.32 116.67 113.24 1y6h s ASP 130 Ca 0.04 -1.50 0.07 0.00 -0.52 0.00 0.00 52.55 50.64 1y6h s ASP 130 Cb -0.09 0.87 -0.06 0.00 -1.46 0.00 0.00 42.92 42.18 1y6h s ASP 130 CO 0.03 -0.23 -0.05 -1.61 0.52 0.00 0.00 175.17 173.83 1y6h s GLU 131 N 1.42 1.69 -0.31 4.34 0.41 -0.64 -4.96 118.70 120.65 1y6h s GLU 131 Ca 0.18 -1.88 -0.12 0.00 -0.41 0.00 0.00 54.97 52.74 1y6h s GLU 131 Cb -0.12 -1.36 -0.03 0.00 -1.78 0.00 0.00 34.13 30.84 1y6h s GLU 131 CO -0.04 0.04 0.21 0.99 -0.49 0.00 0.00 175.26 175.98 1y6h s THR 132 N -2.87 5.25 0.03 3.63 2.01 -1.26 -1.00 115.64 121.42 1y6h s THR 132 Ca 0.32 -0.04 0.03 0.00 0.31 0.00 0.00 61.69 62.30 1y6h s THR 132 Cb 0.04 -3.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1y6h s THR 132 CO 0.14 0.12 0.01 -0.63 -0.69 0.00 0.00 174.62 173.58 1y6h s ILE 133 N 1.73 4.18 0.31 1.82 -1.09 0.92 -4.96 121.20 124.12 1y6h s ILE 133 Ca 0.06 -0.73 0.01 0.00 -2.23 0.00 0.00 60.65 57.76 1y6h s ILE 133 Cb -0.17 -2.92 -0.00 0.00 -1.58 0.00 0.00 42.46 37.79 1y6h s ILE 133 CO 0.10 0.27 0.39 -0.90 -1.23 0.00 0.00 174.94 173.57 1y6h n ASP 134 N 1.03 -1.06 0.00 3.58 3.85 -1.26 -0.72 116.55 121.97 1y6h n ASP 134 Ca -0.13 -2.77 0.00 0.00 -0.71 0.00 0.00 54.79 51.19 1y6h n ASP 134 Cb 0.52 2.06 0.00 0.00 -1.35 0.00 0.00 41.12 42.36 1y6h n ASP 134 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1y6h n GLY 135 N -0.53 1.78 0.20 6.12 0.00 -1.09 -2.62 105.19 109.04 1y6h n GLY 135 Ca 0.02 -0.49 -0.05 0.00 0.00 0.00 0.00 46.02 45.51 1y6h n GLY 135 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1y6h h TYR 136 N 0.00 0.41 -0.61 1.61 3.20 -1.99 -1.83 116.97 117.77 1y6h h TYR 136 Ca 0.00 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1y6h h TYR 136 Cb 0.00 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 1y6h h TYR 136 CO 0.00 0.19 0.40 0.87 -1.64 0.00 0.00 178.16 177.98 1y6h h LYS 137 N 0.45 0.66 -0.85 1.82 1.57 -1.96 -0.38 116.57 117.87 1y6h h LYS 137 Ca 0.21 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1y6h h LYS 137 Cb 0.15 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.27 1y6h h LYS 137 CO -0.17 0.44 0.48 0.00 -0.57 0.00 0.00 179.45 179.63 1y6h h ALA 138 N 1.65 1.09 -0.12 3.86 0.00 -1.09 0.19 119.26 124.85 1y6h h ALA 138 Ca 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1y6h h ALA 138 Cb 0.13 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1y6h h ALA 138 CO -0.07 0.59 -0.04 0.82 0.00 0.00 0.00 179.25 180.55 1y6h h ILE 139 N 1.19 1.31 -0.28 0.00 2.04 -0.90 -1.80 117.51 119.06 1y6h h ILE 139 Ca 0.30 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1y6h h ILE 139 Cb 0.01 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 1y6h h ILE 139 CO -0.05 0.30 0.19 0.58 0.00 0.00 0.00 178.15 179.16 1y6h h VAL 140 N -0.10 1.07 -0.47 1.67 2.07 -0.91 -0.21 116.25 119.37 1y6h h VAL 140 Ca 0.03 -0.13 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 1y6h h VAL 140 Cb 0.49 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1y6h h VAL 140 CO 0.01 0.07 0.27 1.88 0.02 0.00 0.00 177.57 179.83 1y6h h TYR 141 N 0.38 0.64 -0.54 1.57 0.99 -0.62 0.86 116.97 120.25 1y6h h TYR 141 Ca 0.10 -0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 1y6h h TYR 141 Cb -0.04 -0.21 -0.02 0.00 1.00 0.00 0.00 36.73 37.46 1y6h h TYR 141 CO -0.06 0.46 0.15 1.96 -0.00 0.00 0.00 178.16 180.67 1y6h h GLN 142 N 0.63 0.85 -0.17 4.88 4.20 -1.15 0.12 115.11 124.48 1y6h h GLN 142 Ca 0.17 -0.20 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1y6h h GLN 142 Cb 0.02 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.66 1y6h h GLN 142 CO -0.03 0.80 0.00 1.25 -0.67 0.00 0.00 178.83 180.18 1y6h h HIS 143 N 0.76 -0.00 -0.16 2.96 2.76 -0.64 0.21 115.15 121.04 1y6h h HIS 143 Ca 0.17 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1y6h h HIS 143 Cb 0.32 0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 1y6h h HIS 143 CO 0.02 -0.02 0.06 0.93 -1.30 0.00 0.00 177.93 177.62 1y6h h GLU 144 N 0.06 0.24 -0.30 5.26 4.39 -0.58 -2.92 114.58 120.72 1y6h h GLU 144 Ca 0.08 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1y6h h GLU 144 Cb 0.09 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1y6h h GLU 144 CO -0.13 0.34 0.04 0.00 -1.16 0.00 0.00 179.01 178.10 1y6h h ASP 146 N 0.44 0.91 -0.80 0.00 3.45 -0.76 0.11 116.42 119.77 1y6h h ASP 146 Ca 0.10 0.05 0.10 0.00 0.43 0.00 0.00 57.03 57.71 1y6h h ASP 146 Cb 0.23 -0.13 -0.06 0.00 -0.56 0.00 0.00 39.33 38.81 1y6h h ASP 146 CO 0.00 0.47 0.52 0.45 -1.57 0.00 0.00 179.24 179.12 1y6h h HIS 147 N 0.97 0.78 0.00 4.55 3.86 -1.11 0.21 115.15 124.42 1y6h h HIS 147 Ca 0.51 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.74 1y6h h HIS 147 Cb 0.53 -0.25 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1y6h h HIS 147 CO -0.00 0.36 0.00 -0.07 0.86 0.00 0.00 177.93 179.08 1y6h h LEU 148 N 0.73 0.00 -2.75 2.43 3.38 -0.81 -1.79 115.31 116.50 1y6h h LEU 148 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1y6h h LEU 148 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1y6h h LEU 148 CO -0.14 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.39 1y6h n GLN 149 N -2.92 2.73 -2.16 1.13 1.13 0.31 -0.79 117.38 116.80 1y6h n GLN 149 Ca 0.01 -2.45 -0.08 0.00 -1.94 0.00 0.00 57.00 52.53 1y6h n GLN 149 Cb 0.27 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 29.14 1y6h n GLN 149 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1y6h n GLY 150 N 1.31 0.02 3.37 1.08 0.00 -0.67 -4.72 105.19 105.57 1y6h n GLY 150 Ca 0.20 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 1y6h n GLY 150 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y6h s ILE 151 N -2.42 2.82 0.24 -0.61 1.01 0.48 -4.35 121.20 118.37 1y6h s ILE 151 Ca 0.00 -0.77 0.08 0.00 0.00 0.00 0.00 60.65 59.96 1y6h s ILE 151 Cb -0.00 -2.14 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 1y6h s ILE 151 CO 0.00 0.55 0.08 -0.76 0.00 0.00 0.00 174.94 174.81 1y6h s LEU 152 N 0.01 3.48 0.57 2.97 1.43 -1.26 -2.79 118.68 123.09 1y6h s LEU 152 Ca -0.05 -0.43 0.31 0.00 -1.03 0.00 0.00 54.13 52.93 1y6h s LEU 152 Cb -0.15 -2.03 1.73 0.00 0.03 0.00 0.00 46.19 45.78 1y6h s LEU 152 CO 0.05 0.00 2.19 0.10 0.23 0.00 0.00 176.35 178.92 1y6h h TYR 153 N 1.89 0.00 0.00 0.29 -0.00 -1.95 -0.07 116.97 117.13 1y6h h TYR 153 Ca -0.46 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.26 1y6h h TYR 153 Cb 1.24 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.97 1y6h h TYR 153 CO 0.62 0.05 -0.02 -0.39 -0.00 0.00 0.00 178.16 178.42 1y6h h VAL 154 N 0.00 0.13 0.00 -0.90 -1.51 -1.98 0.26 116.25 112.25 1y6h h VAL 154 Ca -0.00 -0.21 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 1y6h h VAL 154 Cb 0.16 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1y6h h VAL 154 CO 0.01 0.02 0.00 0.44 -1.23 0.00 0.00 177.57 176.81 1y6h h ASP 155 N 0.00 0.00 -0.10 4.19 3.45 -1.40 -3.23 116.42 119.33 1y6h h ASP 155 Ca -0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1y6h h ASP 155 Cb 0.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1y6h h ASP 155 CO 0.00 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.21 1y6h n ARG 156 N -2.64 2.21 -1.67 3.56 1.74 0.88 -5.04 116.66 115.70 1y6h n ARG 156 Ca 0.03 -2.34 -0.45 0.00 -0.77 0.00 0.00 57.85 54.33 1y6h n ARG 156 Cb 0.38 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 1y6h n ARG 156 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1y6h n LEU 157 N -0.81 3.16 -0.30 0.55 4.77 -0.91 -4.51 117.00 118.95 1y6h n LEU 157 Ca 0.13 1.14 -0.05 0.00 -0.03 0.00 0.00 56.01 57.20 1y6h n LEU 157 Cb 0.59 -1.44 0.07 0.00 -2.33 0.00 0.00 43.42 40.31 1y6h n LEU 157 CO 0.05 -0.45 1.13 0.50 -1.33 0.00 0.00 177.39 177.29 1y6h h LYS 158 N 4.33 1.17 -1.93 3.23 3.64 -1.51 -3.43 116.57 122.08 1y6h h LYS 158 Ca -0.45 -0.15 0.04 0.00 -1.27 0.00 0.00 60.65 58.82 1y6h h LYS 158 Cb 1.27 -0.22 -0.22 0.00 -0.41 0.00 0.00 32.23 32.66 1y6h h LYS 158 CO 0.77 0.88 0.03 0.34 -2.27 0.00 0.00 179.45 179.20 1y6h s ASP 159 N -6.20 -0.93 0.56 4.20 2.15 -1.26 -5.02 116.67 110.17 1y6h s ASP 159 Ca -0.13 1.44 0.30 0.00 0.43 0.00 0.00 52.55 54.59 1y6h s ASP 159 Cb 0.16 1.55 1.62 0.00 -0.30 0.00 0.00 42.92 45.94 1y6h s ASP 159 CO 0.82 -0.22 1.89 0.71 -0.17 0.00 0.00 175.17 178.20 1y6h h THR 160 N 5.20 0.00 0.00 1.71 1.35 -1.96 0.38 112.91 119.59 1y6h h THR 160 Ca -0.27 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 65.54 1y6h h THR 160 Cb 1.20 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 1y6h h THR 160 CO 0.15 0.00 -0.21 0.11 -0.25 0.00 0.00 175.52 175.32 1y6h h LYS 161 N 0.00 0.00 -2.77 4.72 1.57 -1.99 -3.26 116.57 114.84 1y6h h LYS 161 Ca 0.00 0.00 -0.79 0.00 -1.87 0.00 0.00 60.65 57.99 1y6h h LYS 161 Cb 0.40 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.42 1y6h h LYS 161 CO 0.00 0.21 0.71 1.28 -0.57 0.00 0.00 179.45 181.09 1y6h n LEU 162 N -3.31 6.37 -3.63 2.94 4.77 0.13 -4.88 117.00 119.39 1y6h n LEU 162 Ca 0.01 -5.26 -0.11 0.00 -0.03 0.00 0.00 56.01 50.62 1y6h n LEU 162 Cb 0.46 -1.21 -0.07 0.00 -2.33 0.00 0.00 43.42 40.28 1y6h n LEU 162 CO 0.34 1.78 0.65 0.12 -1.33 0.00 0.00 177.39 178.95 1y6h s PHE 163 N -3.01 -0.56 -1.43 -1.77 5.36 -1.23 -1.63 117.98 113.71 1y6h s PHE 163 Ca 0.33 1.35 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 1y6h s PHE 163 Cb 0.08 0.34 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 1y6h s PHE 163 CO 0.07 -0.27 0.00 0.41 -1.46 0.00 0.00 175.22 173.96 1y6h n GLY 164 N 2.30 -1.28 3.76 13.12 0.00 -0.88 -5.02 105.19 117.18 1y6h n GLY 164 Ca -0.13 -0.92 -0.40 0.00 0.00 0.00 0.00 46.02 44.57 1y6h n GLY 164 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y6h s PHE 165 N -3.00 3.76 0.29 1.61 0.40 -1.26 -1.85 117.98 117.93 1y6h s PHE 165 Ca 0.00 1.45 0.03 0.00 -0.60 0.00 0.00 56.93 57.81 1y6h s PHE 165 Cb 0.00 -2.75 0.70 0.00 0.51 0.00 0.00 43.02 41.48 1y6h s PHE 165 CO 0.00 0.35 1.71 -0.91 0.70 0.00 0.00 175.22 177.07 1y6h h ASN 166 N 5.34 0.37 -0.78 1.36 2.35 -1.33 0.45 115.58 123.34 1y6h h ASN 166 Ca -0.45 0.14 0.03 0.00 -0.55 0.00 0.00 56.30 55.48 1y6h h ASN 166 Cb 1.21 0.11 -0.05 0.00 0.05 0.00 0.00 38.32 39.64 1y6h h ASN 166 CO 0.69 0.04 0.49 -0.08 -1.65 0.00 0.00 177.43 176.92 1y6h h GLU 167 N 0.44 0.93 0.16 0.81 4.81 -1.94 0.28 114.58 120.07 1y6h h GLU 167 Ca 0.55 -0.06 -0.30 0.00 -0.13 0.00 0.00 59.36 59.42 1y6h h GLU 167 Cb 1.00 -0.21 0.02 0.00 0.63 0.00 0.00 28.75 30.20 1y6h h GLU 167 CO -0.50 0.61 -1.29 1.79 -0.73 0.00 0.00 179.01 178.89 1y6h h THR 168 N 0.96 1.35 0.00 0.32 1.35 -1.74 -2.93 112.91 112.22 1y6h h THR 168 Ca 0.31 -2.70 -0.03 0.00 -0.55 0.00 0.00 66.41 63.44 1y6h h THR 168 Cb 0.02 2.85 -0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1y6h h THR 168 CO -0.12 0.81 -0.12 -0.07 -0.25 0.00 0.00 175.52 175.77 1y6h h LEU 169 N 0.18 0.00 0.06 3.87 3.38 -0.51 0.27 115.31 122.55 1y6h h LEU 169 Ca -0.19 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.54 1y6h h LEU 169 Cb 1.98 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.71 1y6h h LEU 169 CO 0.23 0.12 -1.17 0.44 0.09 0.00 0.00 178.44 178.16 1y6h h ASP 170 N 0.00 0.19 0.26 -0.43 3.32 -0.45 -3.35 116.42 115.96 1y6h h ASP 170 Ca -0.00 -0.21 -0.34 0.00 0.02 0.00 0.00 57.03 56.50 1y6h h ASP 170 Cb 0.30 -0.06 0.04 0.00 0.22 0.00 0.00 39.33 39.83 1y6h h ASP 170 CO 0.02 1.17 -1.50 0.28 -1.72 0.00 0.00 179.24 177.49 1y6h h SER 171 N 0.03 0.84 -2.21 6.45 0.02 -1.14 -3.47 113.55 114.07 1y6h h SER 171 Ca -0.09 -0.91 -0.54 0.00 -0.84 0.00 0.00 61.79 59.41 1y6h h SER 171 Cb 1.88 -0.27 -0.08 0.00 0.14 0.00 0.00 62.40 64.07 1y6h h SER 171 CO 0.16 1.72 -0.60 -0.94 -1.14 0.00 0.00 176.83 176.03 1y6h s SER 172 N -7.58 4.96 -0.19 3.07 1.04 0.86 -5.10 113.70 110.75 1y6h s SER 172 Ca -0.09 -0.48 -0.02 0.00 0.48 0.00 0.00 55.95 55.84 1y6h s SER 172 Cb 0.04 -1.08 -0.00 0.00 0.10 0.00 0.00 66.02 65.08 1y6h s SER 172 CO 0.94 -0.01 -0.09 -2.28 0.98 0.00 0.00 173.24 172.78 1y6h s HIS 173 N -2.24 2.89 -0.27 5.02 2.46 -1.26 -4.66 115.29 117.22 1y6h s HIS 173 Ca 0.32 -1.01 -0.11 0.00 0.47 0.00 0.00 55.06 54.72 1y6h s HIS 173 Cb -0.07 -2.01 -0.05 0.00 -0.13 0.00 0.00 32.58 30.32 1y6h s HIS 173 CO 0.22 -0.53 0.21 -0.80 -2.47 0.00 0.00 174.74 171.37 1y6h s ASN 174 N 1.19 6.06 -0.03 9.88 0.01 -1.26 -5.05 114.94 125.74 1y6h s ASN 174 Ca 0.02 0.04 -0.30 0.00 -0.71 0.00 0.00 52.86 51.91 1y6h s ASN 174 Cb -0.14 -2.13 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 1y6h s ASN 174 CO -0.03 -0.05 1.34 -0.69 -1.51 0.00 0.00 177.10 176.15 1y6h s VAL 175 N 1.72 3.92 0.07 1.60 1.01 -1.26 -5.01 120.40 122.45 1y6h s VAL 175 Ca 0.08 1.26 -0.19 0.00 0.00 0.00 0.00 61.98 63.13 1y6h s VAL 175 Cb -0.16 -3.81 -0.07 0.00 0.00 0.00 0.00 36.38 32.34 1y6h s VAL 175 CO 0.10 -0.01 0.57 -0.76 0.00 0.00 0.00 175.10 175.00 1y6h s LEU 176 N 2.47 4.52 0.00 3.92 1.43 -1.26 -5.13 118.68 124.63 1y6h s LEU 176 Ca 0.61 1.26 0.20 0.00 -1.03 0.00 0.00 54.13 55.17 1y6h s LEU 176 Cb -0.29 -2.90 1.20 0.00 0.03 0.00 0.00 46.19 44.24 1y6h s LEU 176 CO 0.24 0.26 1.59 0.47 0.23 0.00 0.00 176.35 179.14