#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nyy s ILE 2 N 0.00 4.37 -0.14 6.31 1.01 -1.26 -4.97 121.20 126.53 2nyy s ILE 2 Ca 0.00 1.67 -0.12 0.00 0.00 0.00 0.00 60.65 62.20 2nyy s ILE 2 Cb 0.00 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 2nyy s ILE 2 CO 0.00 -0.09 0.25 -0.69 0.00 0.00 0.00 174.94 174.41 2nyy s VAL 3 N 2.96 5.33 -0.37 2.92 1.01 -1.26 -4.77 120.40 126.21 2nyy s VAL 3 Ca 0.53 0.46 -0.03 0.00 0.00 0.00 0.00 61.98 62.93 2nyy s VAL 3 Cb -0.21 -3.57 0.08 0.00 0.00 0.00 0.00 36.38 32.68 2nyy s VAL 3 CO 0.16 0.46 0.14 -0.76 0.00 0.00 0.00 175.10 175.10 2nyy s LEU 4 N -0.02 4.77 -0.24 3.92 1.43 -1.26 -0.79 118.68 126.49 2nyy s LEU 4 Ca 0.16 -1.71 -0.19 0.00 -1.03 0.00 0.00 54.13 51.36 2nyy s LEU 4 Cb -0.13 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 2nyy s LEU 4 CO 0.04 -0.44 0.56 -0.89 0.23 0.00 0.00 176.35 175.84 2nyy s THR 5 N 1.21 5.05 -0.10 5.49 2.01 0.32 -4.20 115.64 125.42 2nyy s THR 5 Ca 0.03 0.99 -0.02 0.00 0.31 0.00 0.00 61.69 63.00 2nyy s THR 5 Cb -0.22 -3.87 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2nyy s THR 5 CO -0.02 0.09 -0.02 -1.58 -0.69 0.00 0.00 174.62 172.40 2nyy s GLN 6 N 2.21 3.09 -0.02 4.92 0.74 -1.26 -0.88 119.66 128.46 2nyy s GLN 6 Ca 0.24 -0.45 -0.29 0.00 0.05 0.00 0.00 55.36 54.90 2nyy s GLN 6 Cb -0.16 -2.79 0.07 0.00 1.10 0.00 0.00 33.01 31.24 2nyy s GLN 6 CO 0.09 0.60 0.69 -1.54 -0.55 0.00 0.00 175.29 174.58 2nyy s SER 7 N -0.61 -0.62 0.67 6.67 1.04 -0.06 -4.51 113.70 116.29 2nyy s SER 7 Ca 0.10 0.56 -0.12 0.00 0.48 0.00 0.00 55.95 56.97 2nyy s SER 7 Cb -0.12 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.54 2nyy s SER 7 CO 0.02 -0.66 1.06 -2.16 0.98 0.00 0.00 173.24 172.48 2nyy s PRO 8 N -1.68 2.99 0.16 4.02 0.04 -1.26 -1.27 135.00 138.00 2nyy s PRO 8 Ca -0.08 1.03 -0.07 0.00 0.04 0.00 0.00 61.00 61.92 2nyy s PRO 8 Cb -0.00 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.57 2nyy s PRO 8 CO 0.05 -1.06 1.47 0.00 0.04 0.00 0.00 177.00 177.49 2nyy h ALA 9 N -0.46 0.60 -2.54 8.56 0.00 -1.86 -3.43 119.26 120.14 2nyy h ALA 9 Ca -0.44 -0.51 -0.43 0.00 0.00 0.00 0.00 54.91 53.53 2nyy h ALA 9 Cb 1.21 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.76 2nyy h ALA 9 CO 0.57 0.68 -0.75 0.95 0.00 0.00 0.00 179.25 180.70 2nyy s THR 10 N -4.08 1.52 -0.27 0.00 -4.23 -1.26 -1.65 115.64 105.66 2nyy s THR 10 Ca -0.09 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.35 2nyy s THR 10 Cb 0.11 -1.81 0.12 0.00 1.34 0.00 0.00 72.50 72.26 2nyy s THR 10 CO 0.86 -0.52 0.59 -0.22 -0.54 0.00 0.00 174.62 174.79 2nyy s LEU 11 N -2.91 -1.02 -0.10 4.79 2.96 -0.35 -4.86 118.68 117.19 2nyy s LEU 11 Ca 0.16 1.42 0.03 0.00 -0.22 0.00 0.00 54.13 55.51 2nyy s LEU 11 Cb -0.02 2.06 0.01 0.00 0.50 0.00 0.00 46.19 48.73 2nyy s LEU 11 CO 0.04 -0.22 -0.18 -0.94 -1.32 0.00 0.00 176.35 173.73 2nyy s SER 12 N 2.82 2.51 -0.14 3.68 1.04 -1.26 0.26 113.70 122.62 2nyy s SER 12 Ca -0.04 -0.45 -0.20 0.00 0.48 0.00 0.00 55.95 55.74 2nyy s SER 12 Cb -0.12 -1.14 0.05 0.00 0.10 0.00 0.00 66.02 64.91 2nyy s SER 12 CO -0.17 0.07 0.52 -0.76 0.98 0.00 0.00 173.24 173.88 2nyy s LEU 13 N 0.68 0.01 0.46 2.42 1.02 -0.92 -4.89 118.68 117.46 2nyy s LEU 13 Ca -0.13 0.82 -0.18 0.00 0.02 0.00 0.00 54.13 54.66 2nyy s LEU 13 Cb -0.16 1.86 -0.09 0.00 0.02 0.00 0.00 46.19 47.82 2nyy s LEU 13 CO 0.03 -0.32 0.94 -0.44 0.02 0.00 0.00 176.35 176.59 2nyy s SER 14 N -0.31 6.75 0.66 2.29 0.01 -1.26 -1.11 113.70 120.72 2nyy s SER 14 Ca -0.05 1.57 -0.17 0.00 1.31 0.00 0.00 55.95 58.61 2nyy s SER 14 Cb -0.03 -2.50 -0.02 0.00 0.21 0.00 0.00 66.02 63.67 2nyy s SER 14 CO 0.03 -0.47 0.95 -2.65 0.41 0.00 0.00 173.24 171.51 2nyy n PRO 15 N -1.13 0.71 -0.77 12.44 -0.02 -1.26 -2.37 135.00 142.59 2nyy n PRO 15 Ca 0.06 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2nyy n PRO 15 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2nyy n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nyy n GLY 16 N 1.24 0.95 3.97 -1.23 0.00 0.88 -4.87 105.19 106.13 2nyy n GLY 16 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 2nyy n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nyy s GLU 17 N -0.21 2.46 -0.12 1.61 2.02 -1.00 -4.55 118.70 118.91 2nyy s GLU 17 Ca 0.00 -0.78 -0.17 0.00 0.02 0.00 0.00 54.97 54.04 2nyy s GLU 17 Cb 0.00 -2.46 -0.04 0.00 0.10 0.00 0.00 34.13 31.73 2nyy s GLU 17 CO 0.00 -0.80 0.42 0.50 0.02 0.00 0.00 175.26 175.41 2nyy s ARG 18 N -4.82 4.29 -0.18 1.61 3.52 -1.26 -1.24 118.95 120.87 2nyy s ARG 18 Ca 0.58 0.35 -0.05 0.00 -0.13 0.00 0.00 55.73 56.48 2nyy s ARG 18 Cb -0.10 -3.42 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 2nyy s ARG 18 CO 0.39 0.22 0.01 0.00 -0.81 0.00 0.00 175.30 175.10 2nyy s ALA 19 N 0.46 3.13 -0.29 6.12 0.00 -0.69 -4.96 121.76 125.53 2nyy s ALA 19 Ca 0.23 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2nyy s ALA 19 Cb -0.15 -1.74 0.09 0.00 0.00 0.00 0.00 23.12 21.32 2nyy s ALA 19 CO 0.09 0.07 0.04 0.99 0.00 0.00 0.00 175.76 176.95 2nyy s THR 20 N 0.61 1.47 0.14 0.00 2.01 -1.26 0.53 115.64 119.13 2nyy s THR 20 Ca -0.00 -1.61 -0.06 0.00 0.31 0.00 0.00 61.69 60.32 2nyy s THR 20 Cb -0.14 -1.99 -0.06 0.00 0.01 0.00 0.00 72.50 70.32 2nyy s THR 20 CO 0.02 -0.48 0.40 -0.63 -0.69 0.00 0.00 174.62 173.24 2nyy s ILE 21 N 1.35 5.13 -0.03 1.82 1.01 0.46 -4.72 121.20 126.21 2nyy s ILE 21 Ca 0.06 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.88 2nyy s ILE 21 Cb -0.18 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.69 2nyy s ILE 21 CO -0.14 0.08 -0.00 -0.55 0.00 0.00 0.00 174.94 174.33 2nyy s SER 22 N -2.27 0.44 0.14 3.58 0.15 -0.39 -0.71 113.70 114.64 2nyy s SER 22 Ca 0.40 -0.03 0.11 0.00 0.70 0.00 0.00 55.95 57.12 2nyy s SER 22 Cb -0.12 -0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 63.92 2nyy s SER 22 CO 0.23 -0.09 -0.26 0.00 1.20 0.00 0.00 173.24 174.32 2nyy s ARG 24 N -2.18 0.13 0.07 0.00 3.52 -0.06 -1.70 118.95 118.73 2nyy s ARG 24 Ca 0.16 0.69 -0.19 0.00 -0.13 0.00 0.00 55.73 56.25 2nyy s ARG 24 Cb -0.10 -0.09 -0.07 0.00 -1.56 0.00 0.00 34.95 33.14 2nyy s ARG 24 CO 0.07 -0.27 0.56 0.00 -0.81 0.00 0.00 175.30 174.85 2nyy s ALA 25 N 2.26 3.59 0.06 6.12 0.00 0.32 -0.52 121.76 133.58 2nyy s ALA 25 Ca 0.00 0.02 -0.21 0.00 0.00 0.00 0.00 51.96 51.77 2nyy s ALA 25 Cb -0.12 -2.62 -0.12 0.00 0.00 0.00 0.00 23.12 20.26 2nyy s ALA 25 CO -0.08 0.41 1.49 0.66 0.00 0.00 0.00 175.76 178.23 2nyy h SER 26 N 4.49 0.25 -1.58 0.00 4.64 -1.29 -3.45 113.55 116.62 2nyy h SER 26 Ca -0.50 -0.31 -0.54 0.00 -0.47 0.00 0.00 61.79 59.97 2nyy h SER 26 Cb 1.21 -0.07 -0.07 0.00 -0.31 0.00 0.00 62.40 63.17 2nyy h SER 26 CO 0.63 0.50 -0.46 -1.61 -0.87 0.00 0.00 176.83 175.03 2nyy s GLU 27 N -4.97 2.32 0.60 4.77 2.02 -1.26 -5.01 118.70 117.17 2nyy s GLU 27 Ca -0.14 -1.75 -0.18 0.00 0.02 0.00 0.00 54.97 52.92 2nyy s GLU 27 Cb 0.06 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.15 2nyy s GLU 27 CO 0.71 -0.14 1.21 0.45 0.02 0.00 0.00 175.26 177.52 2nyy s SER 28 N -3.97 5.10 -0.03 -0.19 0.15 -1.26 -4.77 113.70 108.72 2nyy s SER 28 Ca 0.43 2.40 0.09 0.00 0.70 0.00 0.00 55.95 59.57 2nyy s SER 28 Cb 0.02 -2.60 0.24 0.00 -1.71 0.00 0.00 66.02 61.97 2nyy s SER 28 CO 0.24 -1.65 1.19 0.52 1.20 0.00 0.00 173.24 174.74 2nyy n VAL 29 N -1.68 1.22 -4.05 4.45 0.31 -0.14 -4.99 118.33 113.45 2nyy n VAL 29 Ca 0.14 -1.19 -0.35 0.00 -0.01 0.00 0.00 64.34 62.92 2nyy n VAL 29 Cb 0.50 0.36 -0.07 0.00 -0.91 0.00 0.00 33.84 33.71 2nyy n VAL 29 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2nyy s ASP 30 N -1.24 5.96 -0.01 4.52 1.01 -1.26 -2.34 116.67 123.31 2nyy s ASP 30 Ca 0.19 0.31 -0.29 0.00 0.71 0.00 0.00 52.55 53.47 2nyy s ASP 30 Cb 0.12 -1.82 0.08 0.00 1.01 0.00 0.00 42.92 42.31 2nyy s ASP 30 CO 0.09 0.35 0.70 -0.94 0.21 0.00 0.00 175.17 175.58 2nyy s SER 31 N -1.27 -0.60 -1.50 0.27 1.04 -0.39 -4.96 113.70 106.29 2nyy s SER 31 Ca 0.18 0.49 -0.12 0.00 0.48 0.00 0.00 55.95 56.98 2nyy s SER 31 Cb -0.12 0.53 0.07 0.00 0.10 0.00 0.00 66.02 66.60 2nyy s SER 31 CO 0.08 -0.67 0.98 -1.22 0.98 0.00 0.00 173.24 173.38 2nyy n TYR 32 N 0.54 -2.32 -1.52 5.02 4.02 -1.26 -1.49 117.16 120.16 2nyy n TYR 32 Ca -0.17 0.91 -0.12 0.00 -0.01 0.00 0.00 57.90 58.51 2nyy n TYR 32 Cb 0.59 -4.09 -0.04 0.00 -0.02 0.00 0.00 39.34 35.78 2nyy n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2nyy n GLY 33 N -1.71 0.98 3.20 2.72 0.00 -1.26 -5.00 105.19 104.12 2nyy n GLY 33 Ca 0.01 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.44 2nyy n GLY 33 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nyy s HIS 34 N -2.46 1.03 -0.22 1.61 3.76 -0.55 -5.13 115.29 113.33 2nyy s HIS 34 Ca 0.00 -0.83 0.01 0.00 -0.15 0.00 0.00 55.06 54.09 2nyy s HIS 34 Cb 0.00 -0.56 0.03 0.00 1.11 0.00 0.00 32.58 33.16 2nyy s HIS 34 CO 0.00 -0.05 -0.15 -1.12 -0.85 0.00 0.00 174.74 172.57 2nyy s SER 35 N -3.01 3.77 -0.80 1.40 0.01 -1.26 -1.26 113.70 112.55 2nyy s SER 35 Ca 0.13 -0.94 -0.04 0.00 1.31 0.00 0.00 55.95 56.40 2nyy s SER 35 Cb 0.03 -1.53 0.11 0.00 0.21 0.00 0.00 66.02 64.84 2nyy s SER 35 CO -0.02 -0.09 2.56 0.49 0.41 0.00 0.00 173.24 176.60 2nyy n PHE 36 N 4.56 2.06 -3.51 2.43 3.01 -0.99 -3.31 117.46 121.71 2nyy n PHE 36 Ca -0.18 -2.29 -0.37 0.00 1.01 0.00 0.00 57.45 55.62 2nyy n PHE 36 Cb 0.47 -1.52 -0.08 0.00 -0.01 0.00 0.00 39.48 38.34 2nyy n PHE 36 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 2nyy s MET 37 N -1.74 4.19 0.16 -1.08 1.75 -1.26 0.93 119.30 122.24 2nyy s MET 37 Ca 0.56 0.05 0.09 0.00 -1.25 0.00 0.00 55.69 55.14 2nyy s MET 37 Cb 0.31 -3.49 -0.04 0.00 2.84 0.00 0.00 34.83 34.45 2nyy s MET 37 CO -0.18 0.10 -0.11 -0.65 -0.65 0.00 0.00 175.02 173.52 2nyy s GLN 38 N 0.91 2.01 -0.07 4.11 1.11 0.12 -1.01 119.66 126.85 2nyy s GLN 38 Ca 0.15 -1.22 0.05 0.00 0.01 0.00 0.00 55.36 54.36 2nyy s GLN 38 Cb -0.14 -2.17 -0.01 0.00 -1.01 0.00 0.00 33.01 29.68 2nyy s GLN 38 CO 0.05 0.45 -0.22 -1.58 0.01 0.00 0.00 175.29 174.01 2nyy s TRP 39 N -1.53 2.53 0.12 0.91 0.52 -0.17 -0.46 118.94 120.87 2nyy s TRP 39 Ca 0.23 -0.66 0.10 0.00 0.02 0.00 0.00 56.10 55.79 2nyy s TRP 39 Cb -0.09 -1.64 -0.04 0.00 -1.15 0.00 0.00 33.47 30.55 2nyy s TRP 39 CO 0.14 -0.18 -0.25 0.71 0.02 0.00 0.00 176.95 177.39 2nyy s TYR 40 N -0.14 2.14 -0.13 -1.98 1.51 0.20 -1.04 117.35 117.91 2nyy s TYR 40 Ca -0.03 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 2nyy s TYR 40 Cb -0.14 -1.16 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 2nyy s TYR 40 CO 0.04 0.29 -0.20 -1.14 -1.11 0.00 0.00 175.55 173.43 2nyy s GLN 41 N -2.01 3.12 -0.11 -0.62 0.74 -0.53 -0.31 119.66 119.94 2nyy s GLN 41 Ca 0.11 -0.82 0.04 0.00 0.05 0.00 0.00 55.36 54.74 2nyy s GLN 41 Cb -0.10 -2.46 0.00 0.00 1.10 0.00 0.00 33.01 31.55 2nyy s GLN 41 CO 0.05 0.08 -0.23 -1.14 -0.55 0.00 0.00 175.29 173.51 2nyy s GLN 42 N 0.60 3.01 0.22 1.67 0.74 -0.71 -0.96 119.66 124.24 2nyy s GLN 42 Ca -0.11 -0.86 0.05 0.00 0.05 0.00 0.00 55.36 54.48 2nyy s GLN 42 Cb -0.16 -2.32 -0.03 0.00 1.10 0.00 0.00 33.01 31.60 2nyy s GLN 42 CO 0.03 0.12 0.34 0.15 -0.55 0.00 0.00 175.29 175.38 2nyy s LYS 43 N 0.49 3.43 0.15 1.67 1.02 -1.26 -2.03 119.74 123.20 2nyy s LYS 43 Ca -0.15 -0.74 -0.31 0.00 0.02 0.00 0.00 55.97 54.79 2nyy s LYS 43 Cb -0.17 -2.90 -0.10 0.00 -0.52 0.00 0.00 37.83 34.14 2nyy s LYS 43 CO 0.06 0.45 1.71 -1.25 -0.92 0.00 0.00 175.35 175.39 2nyy s PRO 44 N -3.84 4.16 0.00 -1.68 0.04 -1.26 -2.16 135.00 130.26 2nyy s PRO 44 Ca 0.34 2.50 0.00 0.00 0.04 0.00 0.00 61.00 63.88 2nyy s PRO 44 Cb -0.09 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.10 2nyy s PRO 44 CO 0.29 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 176.99 2nyy n GLY 45 N 4.01 0.50 3.26 0.56 0.00 -1.26 -5.05 105.19 107.21 2nyy n GLY 45 Ca 0.16 -0.31 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 2nyy n GLY 45 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2nyy s GLN 46 N -0.62 1.06 0.48 1.61 -0.21 -0.92 -5.13 119.66 115.94 2nyy s GLN 46 Ca 0.00 -1.27 -0.21 0.00 0.02 0.00 0.00 55.36 53.90 2nyy s GLN 46 Cb 0.00 -0.96 -0.08 0.00 1.00 0.00 0.00 33.01 32.98 2nyy s GLN 46 CO 0.00 0.18 1.09 0.00 -2.12 0.00 0.00 175.29 174.44 2nyy s ALA 47 N -2.16 2.87 0.68 6.09 0.00 -1.26 -4.56 121.76 123.42 2nyy s ALA 47 Ca 0.10 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 52.63 2nyy s ALA 47 Cb -0.05 -3.31 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 2nyy s ALA 47 CO 0.03 -0.48 0.95 -2.30 0.00 0.00 0.00 175.76 173.96 2nyy n PRO 48 N -0.85 0.63 -4.41 0.00 -0.02 -1.26 -4.79 135.00 124.30 2nyy n PRO 48 Ca 0.09 0.27 -0.30 0.00 -2.02 0.00 0.00 63.50 61.53 2nyy n PRO 48 Cb 0.51 -2.19 -0.17 0.00 -0.02 0.00 0.00 33.50 31.63 2nyy n PRO 48 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2nyy s ARG 49 N -3.13 2.53 0.20 -0.52 3.52 -0.13 -4.94 118.95 116.48 2nyy s ARG 49 Ca 0.74 -0.67 -0.31 0.00 -0.13 0.00 0.00 55.73 55.36 2nyy s ARG 49 Cb -0.37 -2.15 -0.10 0.00 -1.56 0.00 0.00 34.95 30.78 2nyy s ARG 49 CO 0.49 -0.09 1.52 -1.17 -0.81 0.00 0.00 175.30 175.24 2nyy s LEU 50 N 1.06 4.37 -0.16 -0.88 2.96 -1.26 -1.46 118.68 123.31 2nyy s LEU 50 Ca -0.04 2.64 -0.08 0.00 -0.22 0.00 0.00 54.13 56.43 2nyy s LEU 50 Cb -0.15 -3.60 -0.07 0.00 0.50 0.00 0.00 46.19 42.87 2nyy s LEU 50 CO -0.04 -0.78 -0.21 0.18 -1.32 0.00 0.00 176.35 174.17 2nyy n LEU 51 N 3.37 1.16 -3.88 -0.68 4.77 -0.20 -4.88 117.00 116.66 2nyy n LEU 51 Ca 0.11 0.20 -0.11 0.00 -0.03 0.00 0.00 56.01 56.18 2nyy n LEU 51 Cb 0.39 -0.48 -0.12 0.00 -2.33 0.00 0.00 43.42 40.88 2nyy n LEU 51 CO 0.61 0.30 -0.25 -0.63 -1.33 0.00 0.00 177.39 176.09 2nyy s ILE 52 N -2.31 0.05 0.04 -0.08 1.01 -1.10 -1.59 121.20 117.21 2nyy s ILE 52 Ca -0.23 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.04 2nyy s ILE 52 Cb 0.08 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 42.28 2nyy s ILE 52 CO 0.28 -0.21 -0.04 -0.72 0.00 0.00 0.00 174.94 174.25 2nyy s TYR 53 N -0.67 0.46 -1.28 3.97 -0.85 -0.15 -1.00 117.35 117.83 2nyy s TYR 53 Ca -0.07 -0.65 -0.02 0.00 -0.52 0.00 0.00 57.07 55.80 2nyy s TYR 53 Cb -0.05 -0.30 0.00 0.00 0.38 0.00 0.00 41.96 41.99 2nyy s TYR 53 CO 0.00 -0.19 0.04 0.54 -1.52 0.00 0.00 175.55 174.42 2nyy n ARG 54 N 1.17 -0.91 0.00 -3.49 1.74 -1.11 -1.63 116.66 112.42 2nyy n ARG 54 Ca -0.21 0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.94 2nyy n ARG 54 Cb 0.56 -2.93 0.00 0.00 -1.02 0.00 0.00 32.46 29.07 2nyy n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nyy n ALA 55 N -4.04 0.00 -1.00 7.54 0.00 -0.18 -4.01 120.51 118.81 2nyy n ALA 55 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2nyy n ALA 55 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2nyy n ALA 55 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2nyy n SER 56 N 0.38 0.00 -4.64 0.00 3.41 -1.20 -1.77 113.62 109.80 2nyy n SER 56 Ca 0.00 -0.14 -0.39 0.00 -0.26 0.00 0.00 58.87 58.08 2nyy n SER 56 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2nyy n SER 56 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2nyy s ASN 57 N 0.00 6.45 0.20 4.04 -0.87 -0.65 -4.56 114.94 119.56 2nyy s ASN 57 Ca 0.00 0.54 -0.30 0.00 -1.57 0.00 0.00 52.86 51.53 2nyy s ASN 57 Cb 0.00 -2.27 -0.08 0.00 -0.02 0.00 0.00 41.25 38.88 2nyy s ASN 57 CO 0.00 -0.20 1.02 -0.22 -2.57 0.00 0.00 177.10 175.13 2nyy s LEU 58 N 1.88 4.55 0.06 0.60 2.96 -1.26 -0.98 118.68 126.50 2nyy s LEU 58 Ca 0.21 2.02 -0.30 0.00 -0.22 0.00 0.00 54.13 55.84 2nyy s LEU 58 Cb -0.15 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 42.88 2nyy s LEU 58 CO 0.09 -0.06 1.11 -0.70 -1.32 0.00 0.00 176.35 175.48 2nyy s GLU 59 N -0.73 4.50 0.30 1.98 2.56 -0.62 -4.92 118.70 121.76 2nyy s GLU 59 Ca 0.45 1.65 -0.29 0.00 0.00 0.00 0.00 54.97 56.79 2nyy s GLU 59 Cb -0.28 -3.37 -0.13 0.00 2.00 0.00 0.00 34.13 32.35 2nyy s GLU 59 CO 0.34 -0.13 1.16 -2.30 -0.56 0.00 0.00 175.26 173.77 2nyy n PRO 60 N 3.63 1.70 -0.10 4.30 -0.02 -1.26 -1.91 135.00 141.34 2nyy n PRO 60 Ca 0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2nyy n PRO 60 Cb 0.48 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2nyy n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nyy n GLY 61 N 1.19 1.05 3.68 -1.23 0.00 -1.26 -5.05 105.19 103.57 2nyy n GLY 61 Ca 0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 2nyy n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nyy s ILE 62 N -2.49 4.63 0.85 -0.61 -1.09 -0.80 -5.09 121.20 116.59 2nyy s ILE 62 Ca 0.00 -0.11 -0.11 0.00 -2.23 0.00 0.00 60.65 58.20 2nyy s ILE 62 Cb 0.00 -3.02 0.10 0.00 -1.58 0.00 0.00 42.46 37.97 2nyy s ILE 62 CO 0.00 0.54 1.09 -2.16 -1.23 0.00 0.00 174.94 173.19 2nyy s PRO 63 N -0.32 1.61 0.47 2.79 0.04 -1.26 -4.85 135.00 133.48 2nyy s PRO 63 Ca 0.08 0.92 0.22 0.00 0.04 0.00 0.00 61.00 62.26 2nyy s PRO 63 Cb -0.12 -1.84 1.20 0.00 0.04 0.00 0.00 34.50 33.77 2nyy s PRO 63 CO 0.02 -2.02 1.99 0.00 0.04 0.00 0.00 177.00 177.03 2nyy h ALA 64 N -1.39 1.36 -0.04 8.56 0.00 -1.98 -3.12 119.26 122.64 2nyy h ALA 64 Ca -0.47 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.28 2nyy h ALA 64 Cb 1.27 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2nyy h ALA 64 CO 0.54 0.23 0.24 0.07 0.00 0.00 0.00 179.25 180.33 2nyy h ARG 65 N 0.00 0.00 -5.81 0.00 0.11 -1.95 -3.39 114.38 103.34 2nyy h ARG 65 Ca -0.00 0.00 -0.59 0.00 0.10 0.00 0.00 59.98 59.49 2nyy h ARG 65 Cb 0.42 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.42 2nyy h ARG 65 CO 0.02 0.00 0.28 -0.06 0.10 0.00 0.00 179.97 180.32 2nyy s PHE 66 N -4.19 3.39 0.15 4.08 0.40 -1.18 0.13 117.98 120.75 2nyy s PHE 66 Ca -0.04 1.11 0.04 0.00 -0.60 0.00 0.00 56.93 57.44 2nyy s PHE 66 Cb 0.11 -2.93 -0.04 0.00 0.51 0.00 0.00 43.02 40.67 2nyy s PHE 66 CO 0.35 -0.23 -0.10 -1.54 0.70 0.00 0.00 175.22 174.41 2nyy s SER 67 N 1.19 1.77 0.05 1.36 1.04 -1.07 -4.93 113.70 113.11 2nyy s SER 67 Ca 0.34 -1.02 0.03 0.00 0.48 0.00 0.00 55.95 55.78 2nyy s SER 67 Cb -0.16 -0.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.93 2nyy s SER 67 CO 0.11 -0.34 -0.09 -0.83 0.98 0.00 0.00 173.24 173.07 2nyy s GLY 68 N -3.17 0.58 0.34 7.32 0.00 -1.26 -2.53 107.32 108.60 2nyy s GLY 68 Ca 0.17 -0.79 -0.11 0.00 0.00 0.00 0.00 44.72 43.99 2nyy s GLY 68 CO 0.01 -0.83 0.63 -1.35 0.00 0.00 0.00 173.10 171.55 2nyy s SER 69 N -1.54 0.29 0.00 1.64 1.04 -0.57 -4.22 113.70 110.34 2nyy s SER 69 Ca -0.08 -1.18 0.00 0.00 0.48 0.00 0.00 55.95 55.17 2nyy s SER 69 Cb -0.10 0.73 0.00 0.00 0.10 0.00 0.00 66.02 66.76 2nyy s SER 69 CO 0.01 -1.44 0.00 0.61 0.98 0.00 0.00 173.24 173.40 2nyy n GLY 70 N -0.51 0.68 3.54 7.32 0.00 -1.26 -1.11 105.19 113.84 2nyy n GLY 70 Ca -0.04 -2.17 -0.08 0.00 0.00 0.00 0.00 46.02 43.73 2nyy n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2nyy s SER 71 N 0.00 -0.33 0.00 1.61 1.04 -0.98 -4.89 113.70 110.15 2nyy s SER 71 Ca 0.00 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.56 2nyy s SER 71 Cb 0.00 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.44 2nyy s SER 71 CO 0.00 -0.47 0.00 0.61 0.98 0.00 0.00 173.24 174.36 2nyy n GLY 72 N 0.10 1.99 0.00 7.32 0.00 -1.26 -2.86 105.19 110.49 2nyy n GLY 72 Ca -0.08 -0.16 0.01 0.00 0.00 0.00 0.00 46.02 45.79 2nyy n GLY 72 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2nyy n THR 73 N 0.00 0.00 -3.98 2.61 -2.24 -1.26 -0.97 114.28 108.44 2nyy n THR 73 Ca 0.00 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 61.02 2nyy n THR 73 Cb 0.00 1.00 -0.16 0.00 -2.10 0.00 0.00 70.33 69.07 2nyy n THR 73 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2nyy s ASP 74 N -1.09 3.04 0.17 3.42 1.01 -1.14 -0.52 116.67 121.56 2nyy s ASP 74 Ca 0.01 -0.71 0.08 0.00 0.71 0.00 0.00 52.55 52.64 2nyy s ASP 74 Cb 0.01 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.75 2nyy s ASP 74 CO 0.06 -0.13 -0.17 -0.36 0.21 0.00 0.00 175.17 174.79 2nyy s PHE 75 N 1.48 1.74 -0.10 4.23 0.40 -0.69 -2.32 117.98 122.71 2nyy s PHE 75 Ca 0.01 -0.51 -0.04 0.00 -0.60 0.00 0.00 56.93 55.79 2nyy s PHE 75 Cb -0.15 -0.85 0.05 0.00 0.51 0.00 0.00 43.02 42.58 2nyy s PHE 75 CO -0.09 0.32 0.22 -0.08 0.70 0.00 0.00 175.22 176.29 2nyy s THR 76 N -2.32 -0.18 -0.25 0.64 -1.32 -0.27 -0.54 115.64 111.40 2nyy s THR 76 Ca 0.17 0.22 -0.10 0.00 -1.21 0.00 0.00 61.69 60.77 2nyy s THR 76 Cb -0.04 -0.36 -0.04 0.00 -1.51 0.00 0.00 72.50 70.54 2nyy s THR 76 CO 0.06 0.09 0.14 -0.22 -2.21 0.00 0.00 174.62 172.49 2nyy s LEU 77 N 1.72 3.90 -0.02 9.08 2.96 0.11 -1.51 118.68 134.92 2nyy s LEU 77 Ca -0.05 -0.01 0.04 0.00 -0.22 0.00 0.00 54.13 53.89 2nyy s LEU 77 Cb -0.11 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2nyy s LEU 77 CO -0.08 0.01 -0.11 0.42 -1.32 0.00 0.00 176.35 175.27 2nyy s THR 78 N 1.36 3.31 -0.35 3.68 -4.23 -1.05 -0.41 115.64 117.95 2nyy s THR 78 Ca 0.07 -0.77 -0.10 0.00 -1.18 0.00 0.00 61.69 59.71 2nyy s THR 78 Cb -0.15 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.35 2nyy s THR 78 CO 0.06 0.50 0.17 -0.63 -0.54 0.00 0.00 174.62 174.18 2nyy s ILE 79 N -0.85 4.44 0.12 2.99 1.01 0.19 -2.58 121.20 126.51 2nyy s ILE 79 Ca 0.14 -0.78 -0.20 0.00 0.00 0.00 0.00 60.65 59.81 2nyy s ILE 79 Cb -0.11 -3.42 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 2nyy s ILE 79 CO 0.03 -0.13 1.74 0.77 0.00 0.00 0.00 174.94 177.35 2nyy h SER 80 N 8.37 0.02 -2.08 3.58 4.64 -0.60 -1.84 113.55 125.65 2nyy h SER 80 Ca -0.27 0.02 -0.38 0.00 -0.47 0.00 0.00 61.79 60.69 2nyy h SER 80 Cb 1.11 0.03 -0.33 0.00 -0.31 0.00 0.00 62.40 62.91 2nyy h SER 80 CO 0.64 0.03 -0.69 -0.94 -0.87 0.00 0.00 176.83 175.00 2nyy s SER 81 N -5.26 1.51 0.27 4.97 1.04 -1.25 -4.02 113.70 110.96 2nyy s SER 81 Ca -0.13 -1.43 -0.22 0.00 0.48 0.00 0.00 55.95 54.65 2nyy s SER 81 Cb 0.09 0.44 -0.14 0.00 0.10 0.00 0.00 66.02 66.50 2nyy s SER 81 CO 0.68 -0.30 0.26 0.18 0.98 0.00 0.00 173.24 175.04 2nyy n LEU 82 N 4.50 -1.88 -4.78 2.42 4.77 -0.38 -4.39 117.00 117.27 2nyy n LEU 82 Ca 0.08 0.86 -0.22 0.00 -0.03 0.00 0.00 56.01 56.69 2nyy n LEU 82 Cb 0.45 -0.81 -0.05 0.00 -2.33 0.00 0.00 43.42 40.67 2nyy n LEU 82 CO 0.07 -3.24 -0.14 -1.61 -1.33 0.00 0.00 177.39 171.14 2nyy s GLU 83 N -0.89 2.46 0.29 3.23 0.41 -1.26 -0.08 118.70 122.86 2nyy s GLU 83 Ca 0.55 -1.51 0.26 0.00 -0.41 0.00 0.00 54.97 53.85 2nyy s GLU 83 Cb -0.69 -2.25 0.93 0.00 -1.78 0.00 0.00 34.13 30.34 2nyy s GLU 83 CO 0.53 0.05 1.76 -1.35 -0.49 0.00 0.00 175.26 175.76 2nyy h PRO 84 N 1.40 0.00 0.00 0.39 0.11 -1.96 -2.87 132.00 129.06 2nyy h PRO 84 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2nyy h PRO 84 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2nyy h PRO 84 CO 0.62 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.56 2nyy n GLU 85 N -2.42 0.42 -0.36 1.05 0.00 -1.26 -3.61 120.64 114.45 2nyy n GLU 85 Ca 0.03 0.05 0.10 0.00 0.00 0.00 0.00 57.16 57.33 2nyy n GLU 85 Cb 0.33 -1.50 0.28 0.00 0.00 0.00 0.00 31.44 30.55 2nyy n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2nyy n ASP 86 N -1.10 3.82 -4.66 -1.84 8.00 -1.08 -4.87 116.55 114.81 2nyy n ASP 86 Ca 0.11 -2.11 -0.42 0.00 0.71 0.00 0.00 54.79 53.07 2nyy n ASP 86 Cb 0.08 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 2nyy n ASP 86 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2nyy s PHE 87 N -1.21 1.57 0.23 1.24 -0.12 -1.24 -4.82 117.98 113.62 2nyy s PHE 87 Ca 0.42 -0.23 -0.23 0.00 -0.05 0.00 0.00 56.93 56.84 2nyy s PHE 87 Cb 0.23 -4.15 0.04 0.00 -0.63 0.00 0.00 43.02 38.52 2nyy s PHE 87 CO 0.26 -5.02 0.81 0.00 -0.05 0.00 0.00 175.22 171.22 2nyy s ALA 88 N 4.15 -1.40 -0.29 1.99 0.00 -1.06 -4.87 121.76 120.28 2nyy s ALA 88 Ca 0.83 -0.11 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 2nyy s ALA 88 Cb -0.40 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 2nyy s ALA 88 CO 0.38 -1.03 0.24 0.08 0.00 0.00 0.00 175.76 175.43 2nyy s VAL 89 N -3.66 5.27 -0.14 0.00 1.01 -0.86 -1.32 120.40 120.69 2nyy s VAL 89 Ca 0.11 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 2nyy s VAL 89 Cb -0.04 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 2nyy s VAL 89 CO 0.04 0.19 0.24 -0.31 0.00 0.00 0.00 175.10 175.26 2nyy s TYR 90 N 1.84 3.52 -0.07 5.22 1.51 0.13 -1.74 117.35 127.75 2nyy s TYR 90 Ca 0.09 0.57 0.04 0.00 -1.01 0.00 0.00 57.07 56.76 2nyy s TYR 90 Cb -0.16 -2.20 -0.00 0.00 -0.11 0.00 0.00 41.96 39.49 2nyy s TYR 90 CO 0.11 0.42 -0.21 0.71 -1.11 0.00 0.00 175.55 175.47 2nyy s TYR 91 N -0.11 2.16 0.37 2.71 1.51 0.58 -1.54 117.35 123.03 2nyy s TYR 91 Ca 0.15 -0.77 -0.15 0.00 -1.01 0.00 0.00 57.07 55.29 2nyy s TYR 91 Cb -0.13 -1.46 -0.09 0.00 -0.11 0.00 0.00 41.96 40.18 2nyy s TYR 91 CO 0.04 -0.30 0.79 0.00 -1.11 0.00 0.00 175.55 174.97 2nyy s GLN 93 N -3.25 0.19 0.35 0.00 -0.44 0.40 -0.37 119.66 116.55 2nyy s GLN 93 Ca 0.55 0.65 -0.16 0.00 -2.50 0.00 0.00 55.36 53.90 2nyy s GLN 93 Cb -0.10 -0.07 -0.09 0.00 -1.64 0.00 0.00 33.01 31.11 2nyy s GLN 93 CO 0.20 -0.22 0.79 1.14 0.50 0.00 0.00 175.29 177.71 2nyy s GLN 94 N 1.79 4.05 -0.04 1.67 -2.07 -0.78 0.13 119.66 124.40 2nyy s GLN 94 Ca -0.05 0.77 0.06 0.00 -1.82 0.00 0.00 55.36 54.32 2nyy s GLN 94 Cb -0.11 -2.37 0.09 0.00 -1.09 0.00 0.00 33.01 29.53 2nyy s GLN 94 CO -0.09 0.10 0.95 0.41 -1.32 0.00 0.00 175.29 175.34 2nyy n GLY 95 N -0.48 1.79 0.07 2.60 0.00 0.26 -3.92 105.19 105.51 2nyy n GLY 95 Ca 0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.58 2nyy n GLY 95 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2nyy h ASN 96 N 0.00 -0.03 -5.17 1.61 -1.24 -1.82 -3.47 115.58 105.46 2nyy h ASN 96 Ca 0.00 -0.52 -0.09 0.00 0.71 0.00 0.00 56.30 56.41 2nyy h ASN 96 Cb 0.97 0.01 -0.14 0.00 0.73 0.00 0.00 38.32 39.89 2nyy h ASN 96 CO 0.00 0.51 -0.33 -1.83 -1.29 0.00 0.00 177.43 174.49 2nyy s GLU 97 N -3.96 0.92 0.22 6.67 -1.05 -1.26 -5.03 118.70 115.21 2nyy s GLU 97 Ca -0.16 -0.97 -0.30 0.00 -0.15 0.00 0.00 54.97 53.39 2nyy s GLU 97 Cb 0.01 0.36 -0.08 0.00 -0.44 0.00 0.00 34.13 33.98 2nyy s GLU 97 CO 0.65 -0.31 1.08 0.08 0.95 0.00 0.00 175.26 177.71 2nyy s VAL 98 N -3.87 3.75 0.00 1.83 1.01 -1.26 -3.24 120.40 118.61 2nyy s VAL 98 Ca 0.07 1.63 -0.30 0.00 0.00 0.00 0.00 61.98 63.37 2nyy s VAL 98 Cb 0.04 -4.04 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 2nyy s VAL 98 CO -0.09 0.33 1.39 -2.84 0.00 0.00 0.00 175.10 173.89 2nyy s PRO 99 N -0.87 4.29 0.21 2.72 0.02 -1.26 -4.82 135.00 135.28 2nyy s PRO 99 Ca 0.46 1.95 -0.30 0.00 0.02 0.00 0.00 61.00 63.14 2nyy s PRO 99 Cb -0.30 -3.56 -0.09 0.00 0.02 0.00 0.00 34.50 30.57 2nyy s PRO 99 CO 0.37 -0.57 1.28 -0.06 -0.33 0.00 0.00 177.00 177.69 2nyy s PHE 100 N 2.36 3.29 0.09 6.54 0.08 -1.20 -4.56 117.98 124.58 2nyy s PHE 100 Ca 0.63 1.29 0.03 0.00 0.12 0.00 0.00 56.93 59.01 2nyy s PHE 100 Cb -0.31 -3.56 -0.04 0.00 -0.57 0.00 0.00 43.02 38.54 2nyy s PHE 100 CO 0.26 -1.69 -0.09 0.95 -0.10 0.00 0.00 175.22 174.56 2nyy s THR 101 N -0.04 0.81 0.19 0.64 -4.23 -1.25 -5.02 115.64 106.73 2nyy s THR 101 Ca 0.55 -1.69 0.10 0.00 -1.18 0.00 0.00 61.69 59.47 2nyy s THR 101 Cb -0.36 -1.39 -0.04 0.00 1.34 0.00 0.00 72.50 72.05 2nyy s THR 101 CO 0.39 -0.65 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.31 2nyy s PHE 102 N -2.75 2.52 0.95 3.99 0.40 -1.26 -1.87 117.98 119.95 2nyy s PHE 102 Ca 0.06 -0.27 -0.12 0.00 -0.60 0.00 0.00 56.93 56.00 2nyy s PHE 102 Cb -0.01 -1.23 0.16 0.00 0.51 0.00 0.00 43.02 42.45 2nyy s PHE 102 CO -0.02 0.51 1.09 0.20 0.70 0.00 0.00 175.22 177.71 2nyy s GLY 103 N -2.79 1.59 0.00 4.36 0.00 0.50 -4.58 107.32 106.40 2nyy s GLY 103 Ca 0.24 -0.18 0.30 0.00 0.00 0.00 0.00 44.72 45.08 2nyy s GLY 103 CO 0.13 0.37 2.06 0.61 0.00 0.00 0.00 173.10 176.27 2nyy n GLN 104 N -4.07 0.51 0.00 2.90 0.00 -1.26 -4.83 117.38 110.63 2nyy n GLN 104 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 57.00 57.04 2nyy n GLN 104 Cb 0.56 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.30 2nyy n GLN 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nyy n GLY 105 N 1.25 2.41 2.75 2.61 0.00 -1.26 -5.07 105.19 107.88 2nyy n GLY 105 Ca 0.15 -1.72 -0.21 0.00 0.00 0.00 0.00 46.02 44.24 2nyy n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nyy s THR 106 N -1.88 0.18 -0.63 2.61 2.01 -0.59 -4.76 115.64 112.57 2nyy s THR 106 Ca 0.00 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.03 2nyy s THR 106 Cb 0.00 -0.36 0.12 0.00 0.01 0.00 0.00 72.50 72.27 2nyy s THR 106 CO 0.00 0.21 0.72 -0.54 -0.69 0.00 0.00 174.62 174.32 2nyy s LYS 107 N 1.84 3.13 -0.29 4.92 1.02 -0.66 -0.69 119.74 129.01 2nyy s LYS 107 Ca 0.02 -1.50 -0.29 0.00 0.02 0.00 0.00 55.97 54.22 2nyy s LYS 107 Cb -0.12 -4.33 -0.01 0.00 -0.52 0.00 0.00 37.83 32.85 2nyy s LYS 107 CO -0.04 -1.52 1.41 0.08 -0.92 0.00 0.00 175.35 174.37 2nyy s VAL 108 N 2.35 3.98 -0.03 3.17 1.01 -0.44 -1.21 120.40 129.24 2nyy s VAL 108 Ca 0.13 1.09 -0.05 0.00 0.00 0.00 0.00 61.98 63.15 2nyy s VAL 108 Cb -0.22 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2nyy s VAL 108 CO 0.03 -0.45 0.20 -0.70 0.00 0.00 0.00 175.10 174.18 2nyy s GLU 109 N 4.41 3.48 -0.00 2.72 2.12 0.14 -2.56 118.70 129.01 2nyy s GLU 109 Ca 0.61 -0.21 -0.09 0.00 0.36 0.00 0.00 54.97 55.64 2nyy s GLU 109 Cb -0.19 -3.11 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 2nyy s GLU 109 CO 0.26 0.69 0.30 0.42 -0.54 0.00 0.00 175.26 176.39 2nyy s ILE 110 N -1.25 5.25 0.06 -3.70 -1.09 -1.26 -2.17 121.20 117.04 2nyy s ILE 110 Ca 0.25 0.36 -0.09 0.00 -2.23 0.00 0.00 60.65 58.93 2nyy s ILE 110 Cb -0.13 -3.58 -0.06 0.00 -1.58 0.00 0.00 42.46 37.12 2nyy s ILE 110 CO 0.15 0.44 0.37 -0.54 -1.23 0.00 0.00 174.94 174.13 2nyy s LYS 111 N -1.52 3.72 0.29 2.79 1.02 -0.27 -4.80 119.74 120.98 2nyy s LYS 111 Ca 0.25 0.12 0.04 0.00 0.02 0.00 0.00 55.97 56.40 2nyy s LYS 111 Cb -0.14 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 2nyy s LYS 111 CO 0.14 0.58 0.19 -0.98 -0.92 0.00 0.00 175.35 174.36 2nyy s ARG 112 N -1.87 1.56 1.39 1.68 1.70 -1.26 -4.43 118.95 117.72 2nyy s ARG 112 Ca 0.32 -1.89 -0.23 0.00 -0.47 0.00 0.00 55.73 53.47 2nyy s ARG 112 Cb -0.14 0.12 0.35 0.00 -0.57 0.00 0.00 34.95 34.72 2nyy s ARG 112 CO 0.18 -0.50 0.97 0.95 -1.08 0.00 0.00 175.30 175.81 2nyy s THR 113 N -3.68 1.25 0.22 4.99 -4.23 -1.26 -4.95 115.64 107.99 2nyy s THR 113 Ca 0.38 0.00 -0.25 0.00 -1.18 0.00 0.00 61.69 60.64 2nyy s THR 113 Cb 0.05 -2.16 -0.09 0.00 1.34 0.00 0.00 72.50 71.64 2nyy s THR 113 CO 0.19 0.00 0.82 -0.69 -0.54 0.00 0.00 174.62 174.40 2nyy s VAL 114 N -2.43 4.35 -0.04 2.29 1.01 -1.26 -4.78 120.40 119.54 2nyy s VAL 114 Ca 0.69 1.67 0.02 0.00 0.00 0.00 0.00 61.98 64.36 2nyy s VAL 114 Cb -0.12 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2nyy s VAL 114 CO 0.57 0.36 -0.09 0.00 0.00 0.00 0.00 175.10 175.94 2nyy s ALA 115 N -1.35 0.93 0.05 5.51 0.00 0.00 -4.94 121.76 121.97 2nyy s ALA 115 Ca 0.41 -0.28 -0.29 0.00 0.00 0.00 0.00 51.96 51.79 2nyy s ALA 115 Cb -0.21 -0.41 -0.04 0.00 0.00 0.00 0.00 23.12 22.45 2nyy s ALA 115 CO 0.25 0.10 0.95 0.00 0.00 0.00 0.00 175.76 177.06 2nyy s ALA 116 N 0.50 3.22 0.66 0.00 0.00 -1.26 -2.46 121.76 122.41 2nyy s ALA 116 Ca -0.09 0.52 -0.16 0.00 0.00 0.00 0.00 51.96 52.24 2nyy s ALA 116 Cb -0.12 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2nyy s ALA 116 CO 0.01 -0.12 1.16 -1.25 0.00 0.00 0.00 175.76 175.57 2nyy s PRO 117 N 0.49 2.64 -0.26 0.00 0.04 -1.26 -4.59 135.00 132.07 2nyy s PRO 117 Ca 0.48 1.62 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 2nyy s PRO 117 Cb -0.22 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2nyy s PRO 117 CO 0.28 -1.42 0.13 -1.12 0.04 0.00 0.00 177.00 174.92 2nyy s SER 118 N -2.14 5.60 -0.03 6.66 0.01 -0.92 -4.88 113.70 117.99 2nyy s SER 118 Ca 0.72 -0.10 -0.20 0.00 1.31 0.00 0.00 55.95 57.68 2nyy s SER 118 Cb -0.26 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 2nyy s SER 118 CO 0.40 -0.04 0.59 -0.69 0.41 0.00 0.00 173.24 173.91 2nyy s VAL 119 N 1.65 4.97 0.03 3.43 1.01 -1.26 -0.97 120.40 129.26 2nyy s VAL 119 Ca 0.07 1.22 0.05 0.00 0.00 0.00 0.00 61.98 63.32 2nyy s VAL 119 Cb -0.15 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 2nyy s VAL 119 CO 0.07 0.39 -0.16 -0.36 0.00 0.00 0.00 175.10 175.04 2nyy s PHE 120 N 0.01 1.38 -0.06 5.22 0.40 0.27 -4.98 117.98 120.23 2nyy s PHE 120 Ca 0.31 -0.34 0.04 0.00 -0.60 0.00 0.00 56.93 56.33 2nyy s PHE 120 Cb -0.18 -0.83 0.00 0.00 0.51 0.00 0.00 43.02 42.53 2nyy s PHE 120 CO 0.16 0.04 -0.18 -1.50 0.70 0.00 0.00 175.22 174.44 2nyy s ILE 121 N -0.77 1.55 -0.11 0.64 1.10 -1.26 -1.03 121.20 121.32 2nyy s ILE 121 Ca 0.04 -0.76 -0.01 0.00 -0.51 0.00 0.00 60.65 59.41 2nyy s ILE 121 Cb -0.08 -1.35 0.03 0.00 0.15 0.00 0.00 42.46 41.21 2nyy s ILE 121 CO 0.01 0.45 -0.07 -0.36 -2.11 0.00 0.00 174.94 172.86 2nyy s PHE 122 N 0.23 1.40 0.58 3.50 0.40 -0.23 -5.03 117.98 118.83 2nyy s PHE 122 Ca -0.09 -0.69 -0.13 0.00 -0.60 0.00 0.00 56.93 55.42 2nyy s PHE 122 Cb -0.14 -1.19 -0.05 0.00 0.51 0.00 0.00 43.02 42.15 2nyy s PHE 122 CO 0.04 -0.50 1.00 -1.25 0.70 0.00 0.00 175.22 175.21 2nyy s PRO 123 N 1.74 3.72 0.34 0.24 0.05 -1.26 -1.76 135.00 138.07 2nyy s PRO 123 Ca 0.05 0.80 -0.28 0.00 0.05 0.00 0.00 61.00 61.61 2nyy s PRO 123 Cb -0.13 -2.11 -0.12 0.00 0.05 0.00 0.00 34.50 32.19 2nyy s PRO 123 CO -0.08 -0.45 1.43 -2.30 0.05 0.00 0.00 177.00 175.66 2nyy n PRO 124 N -2.31 2.46 -0.91 0.56 -0.02 -1.20 -4.89 135.00 128.69 2nyy n PRO 124 Ca 0.06 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 62.08 2nyy n PRO 124 Cb 0.54 -2.55 0.14 0.00 -0.02 0.00 0.00 33.50 31.62 2nyy n PRO 124 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2nyy s SER 125 N -0.07 3.32 0.03 2.55 1.04 -1.26 -4.94 113.70 114.36 2nyy s SER 125 Ca 0.56 2.22 -0.26 0.00 0.48 0.00 0.00 55.95 58.95 2nyy s SER 125 Cb -0.52 -2.57 -0.17 0.00 0.10 0.00 0.00 66.02 62.86 2nyy s SER 125 CO 0.60 -2.84 1.35 0.44 0.98 0.00 0.00 173.24 173.77 2nyy h ASP 126 N -1.44 -0.39 -0.83 7.02 5.19 -2.01 -3.06 116.42 120.90 2nyy h ASP 126 Ca -0.44 -0.13 0.25 0.00 -0.62 0.00 0.00 57.03 56.09 2nyy h ASP 126 Cb 1.27 0.10 -0.15 0.00 0.18 0.00 0.00 39.33 40.73 2nyy h ASP 126 CO 0.44 -0.08 0.10 -0.62 -3.12 0.00 0.00 179.24 175.96 2nyy n GLU 127 N -5.18 -0.06 -0.18 3.56 4.71 -1.26 -0.42 120.64 121.80 2nyy n GLU 127 Ca -0.10 1.23 -0.10 0.00 -0.01 0.00 0.00 57.16 58.18 2nyy n GLU 127 Cb 0.26 -2.00 0.01 0.00 -1.01 0.00 0.00 31.44 28.70 2nyy n GLU 127 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 2nyy h GLN 128 N 0.00 1.02 -0.24 3.49 4.15 -1.87 -3.14 115.11 118.51 2nyy h GLN 128 Ca 0.55 -0.38 0.01 0.00 0.77 0.00 0.00 58.65 59.60 2nyy h GLN 128 Cb 1.21 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 2nyy h GLN 128 CO -0.76 1.06 0.14 -0.07 -1.93 0.00 0.00 178.83 177.27 2nyy h LEU 129 N 0.89 0.22 -2.29 -2.39 3.38 -0.64 -2.37 115.31 112.11 2nyy h LEU 129 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2nyy h LEU 129 Cb 0.67 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2nyy h LEU 129 CO 0.05 0.16 0.24 0.11 0.09 0.00 0.00 178.44 179.09 2nyy h LYS 130 N 0.28 0.00 0.00 1.13 1.57 -1.44 0.65 116.57 118.77 2nyy h LYS 130 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2nyy h LYS 130 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2nyy h LYS 130 CO -0.05 0.00 -0.27 0.66 -0.57 0.00 0.00 179.45 179.22 2nyy h SER 131 N 0.00 0.00 0.00 0.86 4.64 -1.46 -3.48 113.55 114.11 2nyy h SER 131 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2nyy h SER 131 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2nyy h SER 131 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2nyy n GLY 132 N 1.13 1.18 3.11 -0.77 0.00 0.23 -5.08 105.19 104.99 2nyy n GLY 132 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2nyy n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nyy s THR 133 N -2.00 0.39 -0.06 2.61 -4.23 -1.25 -2.06 115.64 109.04 2nyy s THR 133 Ca 0.00 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 2nyy s THR 133 Cb 0.00 -1.48 0.02 0.00 1.34 0.00 0.00 72.50 72.38 2nyy s THR 133 CO 0.00 -0.91 -0.10 0.00 -0.54 0.00 0.00 174.62 173.07 2nyy s ALA 134 N -3.60 1.13 -0.19 3.99 0.00 -0.13 -3.79 121.76 119.16 2nyy s ALA 134 Ca 0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.68 2nyy s ALA 134 Cb 0.05 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.63 2nyy s ALA 134 CO -0.07 0.05 -0.14 -1.12 0.00 0.00 0.00 175.76 174.48 2nyy s SER 135 N 0.79 3.61 -0.16 0.00 0.01 -1.26 -1.16 113.70 115.53 2nyy s SER 135 Ca -0.13 -0.54 -0.03 0.00 1.31 0.00 0.00 55.95 56.57 2nyy s SER 135 Cb -0.15 -1.58 -0.02 0.00 0.21 0.00 0.00 66.02 64.47 2nyy s SER 135 CO 0.02 0.00 -0.05 -0.69 0.41 0.00 0.00 173.24 172.93 2nyy s VAL 136 N 1.31 3.70 0.01 3.43 1.01 -0.43 -3.26 120.40 126.17 2nyy s VAL 136 Ca 0.04 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.67 2nyy s VAL 136 Cb -0.14 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 2nyy s VAL 136 CO -0.08 0.49 -0.19 -0.69 0.00 0.00 0.00 175.10 174.63 2nyy s VAL 137 N 0.51 2.73 -0.28 2.92 1.01 -0.72 -1.54 120.40 125.03 2nyy s VAL 137 Ca -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.87 2nyy s VAL 137 Cb -0.15 -2.10 0.08 0.00 0.00 0.00 0.00 36.38 34.22 2nyy s VAL 137 CO 0.03 0.44 0.04 0.00 0.00 0.00 0.00 175.10 175.60 2nyy s LEU 139 N 1.48 4.11 -0.35 0.00 2.96 -0.20 -1.46 118.68 125.22 2nyy s LEU 139 Ca 0.04 0.37 -0.11 0.00 -0.22 0.00 0.00 54.13 54.21 2nyy s LEU 139 Cb -0.18 -2.41 0.01 0.00 0.50 0.00 0.00 46.19 44.11 2nyy s LEU 139 CO -0.15 -0.08 0.20 -0.76 -1.32 0.00 0.00 176.35 174.24 2nyy s LEU 140 N 1.50 4.48 -0.24 -0.68 1.02 0.39 -0.56 118.68 124.58 2nyy s LEU 140 Ca 0.16 -0.70 -0.05 0.00 0.02 0.00 0.00 54.13 53.55 2nyy s LEU 140 Cb -0.15 -2.05 -0.02 0.00 0.02 0.00 0.00 46.19 44.00 2nyy s LEU 140 CO 0.08 -0.29 0.01 0.21 0.02 0.00 0.00 176.35 176.38 2nyy s ASN 141 N 1.62 4.70 -0.49 2.29 2.47 -0.14 -0.95 114.94 124.44 2nyy s ASN 141 Ca 0.04 -0.34 -0.01 0.00 0.42 0.00 0.00 52.86 52.97 2nyy s ASN 141 Cb -0.18 -1.82 -0.02 0.00 -1.45 0.00 0.00 41.25 37.78 2nyy s ASN 141 CO 0.07 -0.04 0.44 0.59 -3.72 0.00 0.00 177.10 174.45 2nyy n ASN 142 N 4.85 -4.94 -4.36 -4.21 3.02 -0.94 -2.18 115.26 106.51 2nyy n ASN 142 Ca -0.17 -0.20 -0.18 0.00 -0.03 0.00 0.00 54.58 54.00 2nyy n ASN 142 Cb 0.51 -3.28 -0.10 0.00 -0.61 0.00 0.00 39.78 36.30 2nyy n ASN 142 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2nyy s PHE 143 N -3.10 1.66 -0.26 3.10 -0.12 0.32 -4.51 117.98 115.07 2nyy s PHE 143 Ca 0.11 -0.94 -0.25 0.00 -0.05 0.00 0.00 56.93 55.80 2nyy s PHE 143 Cb -0.01 -0.99 0.09 0.00 -0.63 0.00 0.00 43.02 41.47 2nyy s PHE 143 CO 0.41 -0.04 0.83 -0.47 -0.05 0.00 0.00 175.22 175.91 2nyy s TYR 144 N -3.40 -0.66 0.73 3.49 5.04 -1.03 -0.41 117.35 121.10 2nyy s TYR 144 Ca 0.31 1.60 -0.12 0.00 -2.44 0.00 0.00 57.07 56.41 2nyy s TYR 144 Cb 0.06 0.31 0.18 0.00 0.35 0.00 0.00 41.96 42.86 2nyy s TYR 144 CO 0.11 -0.34 0.81 -0.35 -1.34 0.00 0.00 175.55 174.45 2nyy n PRO 145 N 2.41 -1.62 0.15 4.97 -0.04 -1.26 -0.82 135.00 138.79 2nyy n PRO 145 Ca -0.14 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 2nyy n PRO 145 Cb 0.55 -1.00 0.21 0.00 -0.04 0.00 0.00 33.50 33.22 2nyy n PRO 145 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2nyy h ARG 146 N 0.00 0.00 -6.63 0.54 2.43 -1.99 -3.45 114.38 105.28 2nyy h ARG 146 Ca -0.28 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.37 2nyy h ARG 146 Cb 0.81 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 30.42 2nyy h ARG 146 CO 0.19 0.56 0.95 -2.00 -1.51 0.00 0.00 179.97 178.16 2nyy s GLU 147 N -3.64 4.17 -0.27 0.20 2.56 -1.26 -4.96 118.70 115.49 2nyy s GLU 147 Ca -0.01 2.49 -0.17 0.00 0.00 0.00 0.00 54.97 57.27 2nyy s GLU 147 Cb 0.12 -3.11 0.08 0.00 2.00 0.00 0.00 34.13 33.22 2nyy s GLU 147 CO 0.75 -0.68 0.67 0.00 -0.56 0.00 0.00 175.26 175.44 2nyy s ALA 148 N 1.15 -1.78 -0.26 6.30 0.00 -1.26 -4.74 121.76 121.17 2nyy s ALA 148 Ca 0.72 2.25 -0.12 0.00 0.00 0.00 0.00 51.96 54.82 2nyy s ALA 148 Cb -0.47 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.28 2nyy s ALA 148 CO 0.32 -0.36 0.21 0.21 0.00 0.00 0.00 175.76 176.14 2nyy s LYS 149 N 1.32 4.00 -0.38 0.00 2.20 -0.95 -4.98 119.74 120.95 2nyy s LYS 149 Ca -0.08 -0.23 -0.00 0.00 -0.36 0.00 0.00 55.97 55.30 2nyy s LYS 149 Cb -0.05 -3.62 0.10 0.00 -1.51 0.00 0.00 37.83 32.75 2nyy s LYS 149 CO -0.14 -0.12 0.14 0.54 -0.36 0.00 0.00 175.35 175.41 2nyy s VAL 150 N 1.58 2.92 -0.13 4.02 0.11 -1.26 -0.92 120.40 126.71 2nyy s VAL 150 Ca 0.09 -2.12 -0.15 0.00 -2.93 0.00 0.00 61.98 56.87 2nyy s VAL 150 Cb -0.15 -3.03 -0.05 0.00 -1.53 0.00 0.00 36.38 31.62 2nyy s VAL 150 CO 0.09 -0.63 0.36 -1.10 -3.33 0.00 0.00 175.10 170.49 2nyy s GLN 151 N 1.06 4.24 -0.07 1.54 -0.21 0.02 -4.92 119.66 121.31 2nyy s GLN 151 Ca 0.08 0.23 -0.19 0.00 0.02 0.00 0.00 55.36 55.50 2nyy s GLN 151 Cb -0.21 -3.41 -0.05 0.00 1.00 0.00 0.00 33.01 30.34 2nyy s GLN 151 CO -0.05 0.26 0.53 -1.58 -2.12 0.00 0.00 175.29 172.33 2nyy s TRP 152 N 0.36 3.58 -0.01 0.91 0.52 -1.26 -0.29 118.94 122.75 2nyy s TRP 152 Ca 0.20 1.02 0.04 0.00 0.02 0.00 0.00 56.10 57.38 2nyy s TRP 152 Cb -0.14 -2.57 -0.01 0.00 -1.15 0.00 0.00 33.47 29.60 2nyy s TRP 152 CO 0.07 0.25 -0.12 0.15 0.02 0.00 0.00 176.95 177.32 2nyy s LYS 153 N 0.28 0.96 -0.20 4.98 1.02 -0.34 -2.23 119.74 124.22 2nyy s LYS 153 Ca 0.29 -0.42 -0.03 0.00 0.02 0.00 0.00 55.97 55.82 2nyy s LYS 153 Cb -0.16 -0.93 0.07 0.00 -0.52 0.00 0.00 37.83 36.28 2nyy s LYS 153 CO 0.13 0.25 0.06 0.08 -0.92 0.00 0.00 175.35 174.96 2nyy s VAL 154 N -0.28 0.30 -1.32 3.17 1.01 -1.14 -1.63 120.40 120.51 2nyy s VAL 154 Ca 0.05 -0.49 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2nyy s VAL 154 Cb -0.05 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.43 2nyy s VAL 154 CO -0.00 -0.30 1.04 0.47 0.00 0.00 0.00 175.10 176.31 2nyy n ASP 155 N 5.13 -4.07 -2.85 3.32 8.00 -0.69 -2.10 116.55 123.28 2nyy n ASP 155 Ca -0.08 -0.63 -0.06 0.00 0.71 0.00 0.00 54.79 54.73 2nyy n ASP 155 Cb 0.47 -4.82 -0.02 0.00 -0.02 0.00 0.00 41.12 36.74 2nyy n ASP 155 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2nyy n ASN 156 N -3.04 0.16 -4.35 -2.24 0.23 -1.26 -4.93 115.26 99.83 2nyy n ASN 156 Ca -0.13 -0.24 -0.40 0.00 -0.53 0.00 0.00 54.58 53.29 2nyy n ASN 156 Cb 0.61 -0.30 -0.11 0.00 -2.08 0.00 0.00 39.78 37.90 2nyy n ASN 156 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2nyy s ALA 157 N -3.28 3.21 -0.18 -2.53 0.00 -0.89 -5.07 121.76 113.02 2nyy s ALA 157 Ca 0.00 -1.71 -0.29 0.00 0.00 0.00 0.00 51.96 49.96 2nyy s ALA 157 Cb -0.00 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.58 2nyy s ALA 157 CO 0.19 -1.36 1.69 -1.17 0.00 0.00 0.00 175.76 175.11 2nyy s LEU 158 N 1.52 3.95 0.35 0.00 0.20 -1.26 -2.89 118.68 120.53 2nyy s LEU 158 Ca 0.01 1.78 -0.09 0.00 0.69 0.00 0.00 54.13 56.51 2nyy s LEU 158 Cb -0.19 -3.53 -0.06 0.00 -0.43 0.00 0.00 46.19 41.97 2nyy s LEU 158 CO 0.06 -1.26 0.69 -1.10 -0.29 0.00 0.00 176.35 174.45 2nyy s GLN 159 N 4.71 3.77 -0.08 1.98 1.11 -0.95 -5.04 119.66 125.16 2nyy s GLN 159 Ca 0.75 0.35 -0.16 0.00 0.01 0.00 0.00 55.36 56.31 2nyy s GLN 159 Cb -0.28 -2.49 0.04 0.00 -1.01 0.00 0.00 33.01 29.27 2nyy s GLN 159 CO 0.30 0.09 0.39 -1.54 0.01 0.00 0.00 175.29 174.54 2nyy s SER 160 N -2.97 -0.34 -2.05 5.90 1.04 -1.26 -4.63 113.70 109.39 2nyy s SER 160 Ca 0.49 0.47 0.00 0.00 0.48 0.00 0.00 55.95 57.39 2nyy s SER 160 Cb -0.10 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.58 2nyy s SER 160 CO 0.28 -0.34 0.00 0.61 0.98 0.00 0.00 173.24 174.78 2nyy n GLY 161 N 1.90 1.84 0.95 7.32 0.00 -1.26 -4.80 105.19 111.14 2nyy n GLY 161 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 2nyy n GLY 161 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2nyy n ASN 162 N -1.27 1.40 -3.62 1.61 6.94 -1.26 -5.03 115.26 114.03 2nyy n ASN 162 Ca -0.19 -3.06 -0.16 0.00 -0.02 0.00 0.00 54.58 51.15 2nyy n ASN 162 Cb 0.65 -0.43 -0.07 0.00 -2.36 0.00 0.00 39.78 37.58 2nyy n ASN 162 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2nyy s SER 163 N -2.67 -0.54 0.11 0.53 1.04 -1.26 -2.26 113.70 108.65 2nyy s SER 163 Ca 0.35 0.71 0.08 0.00 0.48 0.00 0.00 55.95 57.57 2nyy s SER 163 Cb 0.37 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 67.14 2nyy s SER 163 CO -0.11 -0.46 -0.19 -1.10 0.98 0.00 0.00 173.24 172.37 2nyy s GLN 164 N -0.79 1.10 0.25 4.02 -0.21 -1.02 -4.92 119.66 118.09 2nyy s GLN 164 Ca -0.08 -1.19 0.08 0.00 0.02 0.00 0.00 55.36 54.18 2nyy s GLN 164 Cb -0.02 -1.24 -0.04 0.00 1.00 0.00 0.00 33.01 32.71 2nyy s GLN 164 CO 0.06 0.27 0.11 -1.21 -2.12 0.00 0.00 175.29 172.40 2nyy s GLU 165 N -2.16 2.66 -0.12 2.91 2.02 -1.26 -1.18 118.70 121.56 2nyy s GLU 165 Ca 0.07 -1.18 -0.14 0.00 0.02 0.00 0.00 54.97 53.74 2nyy s GLU 165 Cb -0.08 -2.41 0.04 0.00 0.10 0.00 0.00 34.13 31.77 2nyy s GLU 165 CO 0.04 0.39 0.38 0.45 0.02 0.00 0.00 175.26 176.54 2nyy s SER 166 N -3.70 -0.37 -0.04 -0.19 0.15 -0.50 -5.00 113.70 104.05 2nyy s SER 166 Ca 0.32 0.67 0.04 0.00 0.70 0.00 0.00 55.95 57.68 2nyy s SER 166 Cb -0.07 0.71 -0.00 0.00 -1.71 0.00 0.00 66.02 64.94 2nyy s SER 166 CO 0.23 -0.19 -0.17 -0.69 1.20 0.00 0.00 173.24 173.62 2nyy s VAL 167 N -0.05 1.41 1.07 4.45 1.01 -1.26 -1.78 120.40 125.25 2nyy s VAL 167 Ca -0.02 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 2nyy s VAL 167 Cb -0.03 -1.21 0.23 0.00 0.00 0.00 0.00 36.38 35.37 2nyy s VAL 167 CO 0.01 0.41 1.07 0.42 0.00 0.00 0.00 175.10 177.01 2nyy s THR 168 N -0.04 2.02 0.66 3.92 -4.23 -0.47 -5.00 115.64 112.50 2nyy s THR 168 Ca -0.02 0.01 -0.02 0.00 -1.18 0.00 0.00 61.69 60.47 2nyy s THR 168 Cb -0.11 -2.34 0.07 0.00 1.34 0.00 0.00 72.50 71.46 2nyy s THR 168 CO 0.02 -0.01 0.93 -1.61 -0.54 0.00 0.00 174.62 173.40 2nyy s GLU 169 N -4.78 2.15 0.34 3.99 2.02 -1.26 -4.62 118.70 116.54 2nyy s GLU 169 Ca 0.67 -0.67 -0.27 0.00 0.02 0.00 0.00 54.97 54.72 2nyy s GLU 169 Cb -0.21 -2.32 -0.13 0.00 0.10 0.00 0.00 34.13 31.57 2nyy s GLU 169 CO 0.60 -1.12 1.03 1.04 0.02 0.00 0.00 175.26 176.83 2nyy n GLN 170 N -2.70 1.42 -2.41 1.61 6.02 -1.26 -4.68 117.38 115.38 2nyy n GLN 170 Ca 0.10 0.50 -0.34 0.00 -0.01 0.00 0.00 57.00 57.26 2nyy n GLN 170 Cb 0.60 -1.96 0.01 0.00 1.02 0.00 0.00 30.24 29.91 2nyy n GLN 170 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 2nyy n ASP 171 N 0.94 6.05 -4.05 1.08 5.75 -0.55 -4.89 116.55 120.89 2nyy n ASP 171 Ca 0.09 -3.75 -0.27 0.00 -0.01 0.00 0.00 54.79 50.86 2nyy n ASP 171 Cb 0.35 -0.80 -0.11 0.00 -1.03 0.00 0.00 41.12 39.53 2nyy n ASP 171 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2nyy n SER 172 N -0.39 0.93 0.00 -1.12 3.41 -1.26 -3.47 113.62 111.73 2nyy n SER 172 Ca 0.44 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.69 2nyy n SER 172 Cb 0.40 -1.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.29 2nyy n SER 172 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2nyy n LYS 173 N 7.72 0.00 -1.57 4.33 2.85 -1.26 -4.88 118.16 125.35 2nyy n LYS 173 Ca 0.40 0.05 -0.40 0.00 -1.05 0.00 0.00 58.31 57.32 2nyy n LYS 173 Cb 0.44 -0.43 0.03 0.00 -0.65 0.00 0.00 35.03 34.42 2nyy n LYS 173 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2nyy n ASP 174 N -2.12 0.52 -1.71 -5.58 8.00 -1.23 -4.94 116.55 109.50 2nyy n ASP 174 Ca 0.00 0.90 -0.12 0.00 0.71 0.00 0.00 54.79 56.28 2nyy n ASP 174 Cb 0.00 -1.31 0.04 0.00 -0.02 0.00 0.00 41.12 39.83 2nyy n ASP 174 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2nyy n SER 175 N 0.18 5.41 -4.91 -2.24 7.64 -1.26 -3.45 113.62 114.98 2nyy n SER 175 Ca 0.11 -2.83 -0.27 0.00 1.01 0.00 0.00 58.87 56.89 2nyy n SER 175 Cb 0.43 -0.95 -0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2nyy n SER 175 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2nyy s THR 176 N -1.64 4.93 0.26 0.44 -1.32 -1.26 -4.52 115.64 112.52 2nyy s THR 176 Ca 0.23 0.15 0.09 0.00 -1.21 0.00 0.00 61.69 60.95 2nyy s THR 176 Cb 0.19 -3.86 -0.04 0.00 -1.51 0.00 0.00 72.50 67.27 2nyy s THR 176 CO 0.01 -0.81 0.02 -0.31 -2.21 0.00 0.00 174.62 171.32 2nyy s TYR 177 N -2.68 2.75 0.13 9.09 1.51 0.45 -1.48 117.35 127.12 2nyy s TYR 177 Ca 0.47 -0.20 0.04 0.00 -1.01 0.00 0.00 57.07 56.36 2nyy s TYR 177 Cb -0.10 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.48 2nyy s TYR 177 CO 0.44 0.60 -0.10 -1.12 -1.11 0.00 0.00 175.55 174.26 2nyy s SER 178 N -3.65 1.67 -0.07 2.29 0.01 -1.26 -0.52 113.70 112.17 2nyy s SER 178 Ca 0.31 -0.95 -0.05 0.00 1.31 0.00 0.00 55.95 56.57 2nyy s SER 178 Cb -0.07 -0.00 0.03 0.00 0.21 0.00 0.00 66.02 66.19 2nyy s SER 178 CO 0.20 -0.32 0.17 -0.22 0.41 0.00 0.00 173.24 173.49 2nyy s LEU 179 N -2.95 1.05 -0.07 2.44 0.20 -0.12 -1.36 118.68 117.87 2nyy s LEU 179 Ca 0.13 0.35 -0.04 0.00 0.69 0.00 0.00 54.13 55.27 2nyy s LEU 179 Cb 0.01 0.54 -0.04 0.00 -0.43 0.00 0.00 46.19 46.27 2nyy s LEU 179 CO 0.00 -0.10 0.10 -0.94 -0.29 0.00 0.00 176.35 175.12 2nyy s SER 180 N 0.54 5.92 -0.08 3.68 1.04 -0.73 -0.46 113.70 123.61 2nyy s SER 180 Ca -0.04 0.30 0.04 0.00 0.48 0.00 0.00 55.95 56.73 2nyy s SER 180 Cb -0.05 -1.80 -0.00 0.00 0.10 0.00 0.00 66.02 64.26 2nyy s SER 180 CO -0.03 0.35 -0.21 -0.55 0.98 0.00 0.00 173.24 173.78 2nyy s SER 181 N -1.27 2.75 -0.24 7.02 0.15 -0.54 -1.41 113.70 120.17 2nyy s SER 181 Ca 0.18 -0.48 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 2nyy s SER 181 Cb -0.12 -1.11 0.07 0.00 -1.71 0.00 0.00 66.02 63.16 2nyy s SER 181 CO 0.08 0.15 0.03 0.28 1.20 0.00 0.00 173.24 174.98 2nyy s THR 182 N 0.26 0.96 -0.26 6.45 -1.32 -0.33 -0.73 115.64 120.68 2nyy s THR 182 Ca -0.13 -1.04 -0.23 0.00 -1.21 0.00 0.00 61.69 59.07 2nyy s THR 182 Cb -0.16 -1.48 -0.01 0.00 -1.51 0.00 0.00 72.50 69.35 2nyy s THR 182 CO 0.06 -0.32 0.78 -0.22 -2.21 0.00 0.00 174.62 172.71 2nyy s LEU 183 N 1.63 4.08 -0.14 9.08 2.96 -0.59 -2.44 118.68 133.26 2nyy s LEU 183 Ca 0.01 0.88 -0.02 0.00 -0.22 0.00 0.00 54.13 54.78 2nyy s LEU 183 Cb -0.18 -3.09 -0.02 0.00 0.50 0.00 0.00 46.19 43.40 2nyy s LEU 183 CO -0.12 -0.51 -0.07 0.42 -1.32 0.00 0.00 176.35 174.75 2nyy s THR 184 N 2.80 3.65 0.23 3.68 -4.23 -0.96 -1.31 115.64 119.50 2nyy s THR 184 Ca 0.32 -0.45 0.06 0.00 -1.18 0.00 0.00 61.69 60.45 2nyy s THR 184 Cb -0.15 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 2nyy s THR 184 CO 0.09 0.51 -0.09 -0.76 -0.54 0.00 0.00 174.62 173.83 2nyy s LEU 185 N 0.26 2.48 0.83 4.79 1.43 -0.31 -4.85 118.68 123.31 2nyy s LEU 185 Ca -0.05 -1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 51.83 2nyy s LEU 185 Cb -0.14 -0.57 0.09 0.00 0.03 0.00 0.00 46.19 45.59 2nyy s LEU 185 CO 0.04 -0.29 1.09 -0.94 0.23 0.00 0.00 176.35 176.47 2nyy s SER 186 N -3.34 4.11 0.23 2.29 1.04 -1.26 -0.96 113.70 115.80 2nyy s SER 186 Ca 0.25 1.44 -0.08 0.00 0.48 0.00 0.00 55.95 58.04 2nyy s SER 186 Cb 0.02 -2.15 0.22 0.00 0.10 0.00 0.00 66.02 64.20 2nyy s SER 186 CO 0.08 -2.23 1.89 0.50 0.98 0.00 0.00 173.24 174.46 2nyy h LYS 187 N -1.27 1.09 -0.74 4.02 3.64 -1.71 -2.72 116.57 118.88 2nyy h LYS 187 Ca -0.48 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2nyy h LYS 187 Cb 1.27 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 2nyy h LYS 187 CO 0.56 0.72 0.45 0.00 -2.27 0.00 0.00 179.45 178.92 2nyy h ALA 188 N 1.33 0.94 -0.17 5.00 0.00 -1.93 -2.67 119.26 121.77 2nyy h ALA 188 Ca 0.32 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.02 2nyy h ALA 188 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 2nyy h ALA 188 CO -0.08 0.41 -0.46 -0.44 0.00 0.00 0.00 179.25 178.67 2nyy h ASP 189 N 1.01 0.46 -0.26 0.00 3.32 -1.90 -3.03 116.42 116.03 2nyy h ASP 189 Ca 0.27 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 2nyy h ASP 189 Cb -0.05 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2nyy h ASP 189 CO -0.05 0.86 -0.13 0.22 -1.72 0.00 0.00 179.24 178.42 2nyy h TYR 190 N 0.35 0.62 -0.36 4.55 3.20 -1.31 -3.25 116.97 120.77 2nyy h TYR 190 Ca 0.02 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2nyy h TYR 190 Cb 0.95 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.07 2nyy h TYR 190 CO 0.03 0.80 0.00 -0.85 -1.64 0.00 0.00 178.16 176.50 2nyy n GLU 191 N -4.47 1.94 -1.30 1.82 0.28 -1.02 -2.97 120.64 114.92 2nyy n GLU 191 Ca -0.04 -1.45 -0.25 0.00 -0.16 0.00 0.00 57.16 55.26 2nyy n GLU 191 Cb 0.35 -1.35 0.12 0.00 1.43 0.00 0.00 31.44 32.00 2nyy n GLU 191 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 2nyy n LYS 192 N 0.67 2.53 -3.70 3.44 2.85 -1.15 -4.95 118.16 117.86 2nyy n LYS 192 Ca 0.15 -3.31 -0.14 0.00 -1.05 0.00 0.00 58.31 53.96 2nyy n LYS 192 Cb 0.36 -2.17 -0.09 0.00 -0.65 0.00 0.00 35.03 32.48 2nyy n LYS 192 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2nyy s HIS 193 N -3.54 -0.50 -0.00 5.58 3.76 -1.16 -5.06 115.29 114.37 2nyy s HIS 193 Ca 0.57 1.17 -0.00 0.00 -0.15 0.00 0.00 55.06 56.64 2nyy s HIS 193 Cb 0.47 0.19 -0.00 0.00 1.11 0.00 0.00 32.58 34.35 2nyy s HIS 193 CO 0.03 -0.30 -0.01 1.17 -0.85 0.00 0.00 174.74 174.79 2nyy n LYS 194 N 2.49 0.01 -3.36 1.40 3.00 -1.26 -4.90 118.16 115.55 2nyy n LYS 194 Ca -0.15 0.17 -0.38 0.00 -0.00 0.00 0.00 58.31 57.95 2nyy n LYS 194 Cb 0.57 -0.69 -0.07 0.00 0.00 0.00 0.00 35.03 34.84 2nyy n LYS 194 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2nyy s VAL 195 N -1.04 5.19 -0.11 3.15 1.01 -1.26 -3.72 120.40 123.62 2nyy s VAL 195 Ca -0.01 0.80 0.02 0.00 0.00 0.00 0.00 61.98 62.79 2nyy s VAL 195 Cb 0.00 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2nyy s VAL 195 CO 0.01 0.27 -0.17 -0.31 0.00 0.00 0.00 175.10 174.90 2nyy s TYR 196 N 1.11 2.71 -0.09 5.22 1.51 -0.30 -1.70 117.35 125.81 2nyy s TYR 196 Ca 0.21 -0.67 -0.10 0.00 -1.01 0.00 0.00 57.07 55.51 2nyy s TYR 196 Cb -0.15 -1.76 0.02 0.00 -0.11 0.00 0.00 41.96 39.96 2nyy s TYR 196 CO 0.08 -0.20 0.26 0.00 -1.11 0.00 0.00 175.55 174.59 2nyy s ALA 197 N 0.15 -0.65 -0.12 3.71 0.00 -0.65 -0.36 121.76 123.84 2nyy s ALA 197 Ca -0.09 0.66 0.03 0.00 0.00 0.00 0.00 51.96 52.56 2nyy s ALA 197 Cb -0.15 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.61 2nyy s ALA 197 CO 0.05 -0.14 -0.22 0.00 0.00 0.00 0.00 175.76 175.45 2nyy s GLU 199 N 0.65 3.39 -0.06 0.00 2.12 0.60 -2.30 118.70 123.10 2nyy s GLU 199 Ca -0.11 -0.40 0.06 0.00 0.36 0.00 0.00 54.97 54.87 2nyy s GLU 199 Cb -0.16 -2.94 -0.01 0.00 0.26 0.00 0.00 34.13 31.28 2nyy s GLU 199 CO 0.02 0.51 -0.25 0.08 -0.54 0.00 0.00 175.26 175.08 2nyy s VAL 200 N -0.34 2.04 -0.02 3.70 1.01 -0.24 -0.80 120.40 125.76 2nyy s VAL 200 Ca 0.07 -1.05 0.04 0.00 0.00 0.00 0.00 61.98 61.04 2nyy s VAL 200 Cb -0.12 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 2nyy s VAL 200 CO 0.02 0.57 -0.12 -0.89 0.00 0.00 0.00 175.10 174.68 2nyy s THR 201 N -0.08 3.26 -0.23 3.92 2.01 -0.10 -2.65 115.64 121.76 2nyy s THR 201 Ca -0.06 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 2nyy s THR 201 Cb -0.14 -2.34 0.16 0.00 0.01 0.00 0.00 72.50 70.19 2nyy s THR 201 CO 0.05 0.49 1.20 -2.28 -0.69 0.00 0.00 174.62 173.39 2nyy s HIS 202 N -0.85 -0.19 0.37 4.92 5.04 -1.26 -2.24 115.29 121.08 2nyy s HIS 202 Ca 0.14 0.33 0.07 0.00 -1.54 0.00 0.00 55.06 54.06 2nyy s HIS 202 Cb -0.11 0.47 0.78 0.00 0.04 0.00 0.00 32.58 33.77 2nyy s HIS 202 CO 0.03 -0.17 1.95 1.96 -2.34 0.00 0.00 174.74 176.17 2nyy h GLN 203 N 2.33 0.69 0.00 2.88 4.20 -1.93 -1.39 115.11 121.89 2nyy h GLN 203 Ca -0.13 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.54 2nyy h GLN 203 Cb 1.18 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.80 2nyy h GLN 203 CO 0.26 0.46 0.00 0.41 -0.67 0.00 0.00 178.83 179.28 2nyy n GLY 204 N -1.45 -0.97 3.42 3.46 0.00 -1.26 -4.66 105.19 103.72 2nyy n GLY 204 Ca 0.11 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2nyy n GLY 204 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2nyy s LEU 205 N -2.65 3.23 0.19 0.99 1.43 -0.52 -4.69 118.68 116.66 2nyy s LEU 205 Ca 0.17 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.90 2nyy s LEU 205 Cb 0.13 -1.83 0.12 0.00 0.03 0.00 0.00 46.19 44.63 2nyy s LEU 205 CO 0.31 0.02 1.85 0.77 0.23 0.00 0.00 176.35 179.52 2nyy h SER 206 N 7.84 0.69 -4.72 2.29 4.64 -1.83 -3.44 113.55 119.02 2nyy h SER 206 Ca -0.38 -0.01 -0.29 0.00 -0.47 0.00 0.00 61.79 60.64 2nyy h SER 206 Cb 1.17 -0.16 -0.21 0.00 -0.31 0.00 0.00 62.40 62.88 2nyy h SER 206 CO 0.60 0.49 -0.74 -0.94 -0.87 0.00 0.00 176.83 175.37 2nyy s SER 207 N -5.74 0.91 0.10 4.97 1.04 -1.26 -5.12 113.70 108.60 2nyy s SER 207 Ca -0.13 -0.54 -0.36 0.00 0.48 0.00 0.00 55.95 55.40 2nyy s SER 207 Cb 0.14 0.03 -0.17 0.00 0.10 0.00 0.00 66.02 66.11 2nyy s SER 207 CO 0.76 -0.19 1.21 -2.65 0.98 0.00 0.00 173.24 173.35 2nyy n PRO 208 N 1.50 0.90 -4.43 4.02 -0.02 -1.26 -5.00 135.00 130.72 2nyy n PRO 208 Ca -0.22 0.32 -0.34 0.00 -2.02 0.00 0.00 63.50 61.24 2nyy n PRO 208 Cb 0.55 -1.88 -0.10 0.00 -0.02 0.00 0.00 33.50 32.05 2nyy n PRO 208 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2nyy s VAL 209 N 0.15 4.05 -0.02 -1.45 -7.23 -1.09 -4.92 120.40 109.90 2nyy s VAL 209 Ca 0.82 -0.44 0.07 0.00 -1.81 0.00 0.00 61.98 60.61 2nyy s VAL 209 Cb -0.98 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 33.22 2nyy s VAL 209 CO 0.50 0.53 -0.24 0.42 -0.31 0.00 0.00 175.10 176.01 2nyy s THR 210 N -0.92 1.85 -0.02 5.32 -4.23 -1.26 -1.07 115.64 115.30 2nyy s THR 210 Ca 0.15 -1.01 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 2nyy s THR 210 Cb -0.11 -1.54 -0.03 0.00 1.34 0.00 0.00 72.50 72.16 2nyy s THR 210 CO 0.04 0.52 -0.05 -0.54 -0.54 0.00 0.00 174.62 174.05 2nyy s LYS 211 N -0.56 2.66 0.04 3.99 -0.14 -0.97 -4.98 119.74 119.78 2nyy s LYS 211 Ca 0.09 -0.64 -0.01 0.00 -1.36 0.00 0.00 55.97 54.05 2nyy s LYS 211 Cb -0.09 -2.57 -0.03 0.00 -1.68 0.00 0.00 37.83 33.46 2nyy s LYS 211 CO -0.01 0.63 -0.03 -1.12 -0.76 0.00 0.00 175.35 174.06 2nyy s SER 212 N -1.24 0.39 0.25 2.83 0.01 -1.26 -1.63 113.70 113.04 2nyy s SER 212 Ca 0.16 -0.80 0.01 0.00 1.31 0.00 0.00 55.95 56.63 2nyy s SER 212 Cb -0.11 0.16 -0.04 0.00 0.21 0.00 0.00 66.02 66.24 2nyy s SER 212 CO 0.06 -0.49 0.14 0.72 0.41 0.00 0.00 173.24 174.08 2nyy s PHE 213 N -2.97 1.39 0.12 2.43 -0.12 0.52 -4.98 117.98 114.36 2nyy s PHE 213 Ca -0.02 -1.36 0.03 0.00 -0.05 0.00 0.00 56.93 55.54 2nyy s PHE 213 Cb 0.01 -0.71 -0.04 0.00 -0.63 0.00 0.00 43.02 41.65 2nyy s PHE 213 CO -0.07 -0.56 -0.09 0.54 -0.05 0.00 0.00 175.22 174.99 2nyy s ASN 214 N -3.26 1.46 -0.52 1.98 2.20 -1.26 -1.15 114.94 114.39 2nyy s ASN 214 Ca 0.38 -0.96 -0.27 0.00 -0.94 0.00 0.00 52.86 51.07 2nyy s ASN 214 Cb 0.06 0.03 -0.04 0.00 -2.00 0.00 0.00 41.25 39.31 2nyy s ASN 214 CO 0.15 -0.37 2.04 -0.13 -2.94 0.00 0.00 177.10 175.85 2nyy s ARG 215 N -3.56 2.57 0.00 3.55 0.52 -1.24 -5.04 118.95 115.74 2nyy s ARG 215 Ca 0.12 1.03 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 2nyy s ARG 215 Cb 0.02 -4.43 0.00 0.00 0.52 0.00 0.00 34.95 31.07 2nyy s ARG 215 CO -0.02 -2.77 0.00 0.41 0.02 0.00 0.00 175.30 172.94