#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s78 s ILE 2 N 0.00 4.42 -0.12 5.18 -1.09 -1.26 -5.04 121.20 123.28 1s78 s ILE 2 Ca 0.00 1.96 -0.01 0.00 -2.23 0.00 0.00 60.65 60.36 1s78 s ILE 2 Cb 0.00 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 36.61 1s78 s ILE 2 CO 0.00 0.28 -0.07 -1.10 -1.23 0.00 0.00 174.94 172.81 1s78 s GLN 3 N 0.15 3.33 -0.26 2.79 -1.52 -1.26 -4.84 119.66 118.05 1s78 s GLN 3 Ca 0.49 -0.57 -0.08 0.00 -1.95 0.00 0.00 55.36 53.25 1s78 s GLN 3 Cb -0.24 -2.75 -0.03 0.00 -0.22 0.00 0.00 33.01 29.76 1s78 s GLN 3 CO 0.30 0.36 0.10 -1.64 -0.25 0.00 0.00 175.29 174.16 1s78 s MET 4 N 0.02 3.72 -0.25 2.91 -1.94 -1.26 -1.29 119.30 121.20 1s78 s MET 4 Ca -0.01 -0.44 -0.04 0.00 -1.71 0.00 0.00 55.69 53.49 1s78 s MET 4 Cb -0.14 -3.41 0.01 0.00 2.01 0.00 0.00 34.83 33.30 1s78 s MET 4 CO 0.03 -0.19 -0.02 0.99 -0.01 0.00 0.00 175.02 175.82 1s78 s THR 5 N 1.65 3.29 -0.04 2.05 2.01 -0.49 -4.02 115.64 120.09 1s78 s THR 5 Ca 0.06 -0.77 -0.10 0.00 0.31 0.00 0.00 61.69 61.20 1s78 s THR 5 Cb -0.15 -2.62 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 1s78 s THR 5 CO 0.05 0.25 0.28 -1.10 -0.69 0.00 0.00 174.62 173.41 1s78 s GLN 6 N 1.42 3.66 -0.00 4.92 -0.21 -1.26 -0.45 119.66 127.73 1s78 s GLN 6 Ca 0.03 0.09 -0.02 0.00 0.02 0.00 0.00 55.36 55.48 1s78 s GLN 6 Cb -0.16 -3.16 -0.00 0.00 1.00 0.00 0.00 33.01 30.68 1s78 s GLN 6 CO -0.03 0.71 0.03 -1.54 -2.12 0.00 0.00 175.29 172.34 1s78 s SER 7 N -1.24 0.04 1.06 5.90 1.04 -0.18 -4.31 113.70 116.01 1s78 s SER 7 Ca 0.22 -0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.38 1s78 s SER 7 Cb -0.14 0.10 0.22 0.00 0.10 0.00 0.00 66.02 66.30 1s78 s SER 7 CO 0.11 -0.13 1.16 -2.16 0.98 0.00 0.00 173.24 173.19 1s78 s PRO 8 N -0.55 -0.06 0.05 4.02 0.04 -1.26 -0.96 135.00 136.29 1s78 s PRO 8 Ca -0.06 0.03 -0.19 0.00 0.04 0.00 0.00 61.00 60.81 1s78 s PRO 8 Cb -0.04 -1.72 -0.13 0.00 0.04 0.00 0.00 34.50 32.65 1s78 s PRO 8 CO -0.00 -2.96 1.38 1.03 0.04 0.00 0.00 177.00 176.49 1s78 h SER 9 N -2.04 0.43 -4.12 6.66 0.87 -1.82 -3.43 113.55 110.10 1s78 h SER 9 Ca -0.48 -0.45 -0.36 0.00 -1.23 0.00 0.00 61.79 59.27 1s78 h SER 9 Cb 1.30 -0.12 -0.17 0.00 -0.44 0.00 0.00 62.40 62.97 1s78 h SER 9 CO 0.45 0.79 -0.74 -0.94 -0.53 0.00 0.00 176.83 175.86 1s78 s SER 10 N -6.14 1.77 -0.07 6.23 1.04 -1.26 -1.63 113.70 113.64 1s78 s SER 10 Ca -0.14 -0.86 -0.14 0.00 0.48 0.00 0.00 55.95 55.29 1s78 s SER 10 Cb 0.06 -0.03 0.03 0.00 0.10 0.00 0.00 66.02 66.18 1s78 s SER 10 CO 0.76 -0.23 0.33 -0.22 0.98 0.00 0.00 173.24 174.86 1s78 s LEU 11 N -2.64 0.76 -0.27 2.42 2.96 0.55 -4.89 118.68 117.57 1s78 s LEU 11 Ca 0.10 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.39 1s78 s LEU 11 Cb -0.02 1.24 0.05 0.00 0.50 0.00 0.00 46.19 47.96 1s78 s LEU 11 CO 0.01 -0.29 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.13 1s78 s SER 12 N -0.61 4.54 0.26 3.68 0.15 -1.26 -0.74 113.70 119.72 1s78 s SER 12 Ca -0.07 -1.26 0.08 0.00 0.70 0.00 0.00 55.95 55.39 1s78 s SER 12 Cb -0.04 -1.62 -0.05 0.00 -1.71 0.00 0.00 66.02 62.60 1s78 s SER 12 CO 0.03 -0.20 -0.10 0.00 1.20 0.00 0.00 173.24 174.17 1s78 s ALA 13 N 1.19 2.33 0.36 5.45 0.00 -0.06 -4.77 121.76 126.26 1s78 s ALA 13 Ca -0.06 -1.84 0.07 0.00 0.00 0.00 0.00 51.96 50.13 1s78 s ALA 13 Cb -0.19 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.98 1s78 s ALA 13 CO -0.04 0.01 0.47 -1.12 0.00 0.00 0.00 175.76 175.08 1s78 s SER 14 N -3.42 5.76 0.24 0.00 0.01 -1.26 -0.56 113.70 114.46 1s78 s SER 14 Ca 0.28 -0.31 -0.31 0.00 1.31 0.00 0.00 55.95 56.91 1s78 s SER 14 Cb 0.02 -1.02 -0.12 0.00 0.21 0.00 0.00 66.02 65.11 1s78 s SER 14 CO 0.11 -0.52 1.66 -0.69 0.41 0.00 0.00 173.24 174.21 1s78 s VAL 15 N -2.25 2.08 0.00 3.43 1.01 -1.26 -2.63 120.40 120.77 1s78 s VAL 15 Ca 0.47 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1s78 s VAL 15 Cb -0.09 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1s78 s VAL 15 CO 0.31 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.03 1s78 n GLY 16 N 3.20 1.03 3.79 4.51 0.00 -0.01 -4.94 105.19 112.79 1s78 n GLY 16 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1s78 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s78 s ASP 17 N -1.80 5.76 0.20 1.61 -0.00 -1.08 -4.34 116.67 117.02 1s78 s ASP 17 Ca 0.00 1.91 -0.25 0.00 -0.00 0.00 0.00 52.55 54.22 1s78 s ASP 17 Cb 0.00 -2.55 -0.08 0.00 -0.00 0.00 0.00 42.92 40.29 1s78 s ASP 17 CO 0.00 -1.19 0.80 -0.60 -0.00 0.00 0.00 175.17 174.19 1s78 s ARG 18 N -3.83 4.53 -0.08 8.23 3.52 -1.25 0.11 118.95 130.19 1s78 s ARG 18 Ca 0.66 1.15 -0.01 0.00 -0.13 0.00 0.00 55.73 57.40 1s78 s ARG 18 Cb -0.18 -3.12 0.03 0.00 -1.56 0.00 0.00 34.95 30.11 1s78 s ARG 18 CO 0.33 0.49 -0.02 0.08 -0.81 0.00 0.00 175.30 175.38 1s78 s VAL 19 N -1.29 0.53 -0.12 7.11 1.01 -0.66 -4.95 120.40 122.03 1s78 s VAL 19 Ca 0.40 0.00 0.03 0.00 0.00 0.00 0.00 61.98 62.41 1s78 s VAL 19 Cb -0.21 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.53 1s78 s VAL 19 CO 0.25 0.28 -0.22 -0.89 0.00 0.00 0.00 175.10 174.52 1s78 s THR 20 N 1.75 2.01 -0.08 3.92 2.01 -1.26 -0.41 115.64 123.58 1s78 s THR 20 Ca 0.02 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.09 1s78 s THR 20 Cb -0.13 -1.76 -0.02 0.00 0.01 0.00 0.00 72.50 70.61 1s78 s THR 20 CO -0.05 0.54 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.63 1s78 s ILE 21 N 0.61 2.80 0.09 1.82 1.01 0.79 -4.81 121.20 123.51 1s78 s ILE 21 Ca -0.13 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.72 1s78 s ILE 21 Cb -0.17 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 1s78 s ILE 21 CO 0.03 0.56 0.27 -0.89 0.00 0.00 0.00 174.94 174.91 1s78 s THR 22 N -0.25 5.32 -0.04 2.92 2.01 -0.13 -0.83 115.64 124.64 1s78 s THR 22 Ca 0.01 -0.26 -0.02 0.00 0.31 0.00 0.00 61.69 61.73 1s78 s THR 22 Cb -0.13 -3.63 0.03 0.00 0.01 0.00 0.00 72.50 68.78 1s78 s THR 22 CO 0.03 0.10 0.04 0.00 -0.69 0.00 0.00 174.62 174.10 1s78 s LYS 24 N 2.00 2.63 0.26 0.00 2.20 0.40 -1.09 119.74 126.15 1s78 s LYS 24 Ca 0.03 -1.14 -0.29 0.00 -0.36 0.00 0.00 55.97 54.21 1s78 s LYS 24 Cb -0.12 -3.21 -0.09 0.00 -1.51 0.00 0.00 37.83 32.90 1s78 s LYS 24 CO -0.03 -0.56 1.13 0.00 -0.36 0.00 0.00 175.35 175.53 1s78 s ALA 25 N 1.32 3.42 -1.08 3.13 0.00 -0.28 -1.40 121.76 126.86 1s78 s ALA 25 Ca -0.03 0.93 0.20 0.00 0.00 0.00 0.00 51.96 53.06 1s78 s ALA 25 Cb -0.19 -3.35 0.87 0.00 0.00 0.00 0.00 23.12 20.45 1s78 s ALA 25 CO -0.01 -0.24 1.63 -1.13 0.00 0.00 0.00 175.76 176.01 1s78 n SER 26 N 1.43 0.00 -3.64 0.00 3.41 -0.41 -4.80 113.62 109.61 1s78 n SER 26 Ca 0.00 0.40 -0.10 0.00 -0.26 0.00 0.00 58.87 58.91 1s78 n SER 26 Cb 0.45 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.87 1s78 n SER 26 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1s78 s GLN 27 N -2.92 0.72 -0.32 4.33 0.74 -1.26 -4.99 119.66 115.96 1s78 s GLN 27 Ca 0.11 1.03 -0.39 0.00 0.05 0.00 0.00 55.36 56.16 1s78 s GLN 27 Cb 0.13 0.26 -0.14 0.00 1.10 0.00 0.00 33.01 34.36 1s78 s GLN 27 CO 0.35 -0.11 1.94 -3.47 -0.55 0.00 0.00 175.29 173.44 1s78 n ASP 28 N 3.36 2.17 -2.28 6.67 2.03 -1.26 -4.83 116.55 122.41 1s78 n ASP 28 Ca -0.17 0.82 -0.22 0.00 0.52 0.00 0.00 54.79 55.74 1s78 n ASP 28 Cb 0.57 -1.16 0.02 0.00 -0.72 0.00 0.00 41.12 39.82 1s78 n ASP 28 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1s78 n VAL 29 N 5.66 2.27 0.00 5.18 0.24 0.01 -5.01 118.33 126.68 1s78 n VAL 29 Ca 0.34 -4.25 0.00 0.00 -2.04 0.00 0.00 64.34 58.39 1s78 n VAL 29 Cb 0.15 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 1s78 n VAL 29 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1s78 n SER 30 N -0.59 0.00 -0.23 -1.34 3.41 -1.26 -0.77 113.62 112.84 1s78 n SER 30 Ca 0.37 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 59.07 1s78 n SER 30 Cb 0.85 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.96 1s78 n SER 30 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1s78 n ILE 31 N 0.00 1.98 -0.85 -1.33 -5.35 -1.26 -0.58 119.36 111.97 1s78 n ILE 31 Ca 0.00 -2.36 -0.09 0.00 -0.27 0.00 0.00 62.75 60.04 1s78 n ILE 31 Cb 0.00 -0.24 -0.12 0.00 -1.74 0.00 0.00 39.64 37.53 1s78 n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s78 n GLY 32 N -1.31 2.80 3.31 3.28 0.00 0.05 -2.75 105.19 110.57 1s78 n GLY 32 Ca 0.17 -0.88 -0.32 0.00 0.00 0.00 0.00 46.02 44.99 1s78 n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s78 s VAL 33 N 0.84 2.26 0.36 1.61 1.01 -1.26 0.32 120.40 125.55 1s78 s VAL 33 Ca 0.49 -1.00 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1s78 s VAL 33 Cb 0.23 -1.83 -0.06 0.00 0.00 0.00 0.00 36.38 34.72 1s78 s VAL 33 CO 0.00 0.57 0.05 0.00 0.00 0.00 0.00 175.10 175.72 1s78 s ALA 34 N -0.25 3.28 -0.05 5.51 0.00 0.50 0.17 121.76 130.92 1s78 s ALA 34 Ca -0.01 -2.04 0.02 0.00 0.00 0.00 0.00 51.96 49.94 1s78 s ALA 34 Cb -0.13 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.70 1s78 s ALA 34 CO 0.03 -0.01 -0.09 -1.58 0.00 0.00 0.00 175.76 174.11 1s78 s TRP 35 N -2.56 1.13 0.16 0.00 0.52 0.13 -1.36 118.94 116.95 1s78 s TRP 35 Ca 0.36 -0.36 0.11 0.00 0.02 0.00 0.00 56.10 56.23 1s78 s TRP 35 Cb 0.02 -0.85 -0.04 0.00 -1.15 0.00 0.00 33.47 31.44 1s78 s TRP 35 CO 0.20 -0.20 -0.25 0.71 0.02 0.00 0.00 176.95 177.43 1s78 s TYR 36 N 0.59 2.32 -0.05 -1.98 2.02 0.12 -0.69 117.35 119.67 1s78 s TYR 36 Ca -0.11 -0.36 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 1s78 s TYR 36 Cb -0.13 -1.21 -0.02 0.00 -0.40 0.00 0.00 41.96 40.20 1s78 s TYR 36 CO 0.02 0.41 -0.16 -1.14 -1.57 0.00 0.00 175.55 173.11 1s78 s GLN 37 N -2.34 2.55 -0.07 -0.62 0.74 -0.10 -0.75 119.66 119.05 1s78 s GLN 37 Ca 0.17 -0.73 -0.05 0.00 0.05 0.00 0.00 55.36 54.80 1s78 s GLN 37 Cb -0.09 -2.35 0.03 0.00 1.10 0.00 0.00 33.01 31.69 1s78 s GLN 37 CO 0.08 0.56 0.19 -1.14 -0.55 0.00 0.00 175.29 174.43 1s78 s GLN 38 N -0.58 0.18 0.15 1.67 0.74 0.21 -0.30 119.66 121.74 1s78 s GLN 38 Ca 0.08 0.33 0.08 0.00 0.05 0.00 0.00 55.36 55.91 1s78 s GLN 38 Cb -0.11 -0.00 -0.04 0.00 1.10 0.00 0.00 33.01 33.95 1s78 s GLN 38 CO 0.01 -0.08 -0.10 0.15 -0.55 0.00 0.00 175.29 174.71 1s78 s LYS 39 N 0.57 2.05 0.06 1.67 1.02 -1.26 -0.20 119.74 123.65 1s78 s LYS 39 Ca -0.04 -1.19 -0.36 0.00 0.02 0.00 0.00 55.97 54.40 1s78 s LYS 39 Cb -0.05 -2.19 -0.15 0.00 -0.52 0.00 0.00 37.83 34.91 1s78 s LYS 39 CO -0.03 0.46 1.53 -2.30 -0.92 0.00 0.00 175.35 174.09 1s78 n PRO 40 N 0.29 1.65 0.00 -1.68 -0.02 -1.26 -0.77 135.00 133.22 1s78 n PRO 40 Ca -0.12 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1s78 n PRO 40 Cb 0.54 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 1s78 n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s78 n GLY 41 N 3.24 2.78 3.95 -1.23 0.00 -1.26 -5.01 105.19 107.66 1s78 n GLY 41 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1s78 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s78 s LYS 42 N -0.07 1.89 0.33 1.61 -0.14 0.05 -5.11 119.74 118.31 1s78 s LYS 42 Ca 0.00 -0.54 0.04 0.00 -1.36 0.00 0.00 55.97 54.11 1s78 s LYS 42 Cb 0.00 -2.20 -0.02 0.00 -1.68 0.00 0.00 37.83 33.93 1s78 s LYS 42 CO 0.00 -1.39 0.49 0.00 -0.76 0.00 0.00 175.35 173.69 1s78 s ALA 43 N -3.26 3.98 0.53 5.17 0.00 -1.26 -4.67 121.76 122.24 1s78 s ALA 43 Ca 0.63 -1.24 -0.22 0.00 0.00 0.00 0.00 51.96 51.14 1s78 s ALA 43 Cb -0.08 -1.85 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 1s78 s ALA 43 CO 0.45 -0.02 1.31 -2.14 0.00 0.00 0.00 175.76 175.36 1s78 s PRO 44 N -4.21 3.28 -0.06 0.00 0.02 -1.26 -4.62 135.00 128.15 1s78 s PRO 44 Ca 0.42 2.12 0.04 0.00 0.02 0.00 0.00 61.00 63.59 1s78 s PRO 44 Cb -0.09 -2.28 -0.02 0.00 0.02 0.00 0.00 34.50 32.12 1s78 s PRO 44 CO 0.33 -1.04 -0.16 0.15 -0.33 0.00 0.00 177.00 175.95 1s78 s LYS 45 N -2.87 2.57 0.02 5.54 1.02 0.59 -4.95 119.74 121.67 1s78 s LYS 45 Ca 0.70 -0.73 -0.29 0.00 0.02 0.00 0.00 55.97 55.67 1s78 s LYS 45 Cb -0.37 -2.37 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1s78 s LYS 45 CO 0.44 0.56 0.93 -1.17 -0.92 0.00 0.00 175.35 175.19 1s78 s LEU 46 N -0.56 4.40 -0.05 3.17 2.96 -1.26 -0.93 118.68 126.41 1s78 s LEU 46 Ca 0.08 1.62 -0.03 0.00 -0.22 0.00 0.00 54.13 55.58 1s78 s LEU 46 Cb -0.11 -3.50 -0.03 0.00 0.50 0.00 0.00 46.19 43.05 1s78 s LEU 46 CO 0.01 -0.18 -0.08 0.18 -1.32 0.00 0.00 176.35 174.96 1s78 n LEU 47 N 3.57 0.53 -4.19 -0.68 4.77 0.14 -4.78 117.00 116.36 1s78 n LEU 47 Ca 0.04 0.09 -0.27 0.00 -0.03 0.00 0.00 56.01 55.84 1s78 n LEU 47 Cb 0.51 -0.21 -0.16 0.00 -2.33 0.00 0.00 43.42 41.23 1s78 n LEU 47 CO 0.51 0.05 -0.52 -0.63 -1.33 0.00 0.00 177.39 175.47 1s78 s ILE 48 N -2.12 1.56 0.23 -0.08 -1.09 -1.08 -1.41 121.20 117.20 1s78 s ILE 48 Ca -0.09 -0.83 0.04 0.00 -2.23 0.00 0.00 60.65 57.55 1s78 s ILE 48 Cb 0.03 -1.30 -0.05 0.00 -1.58 0.00 0.00 42.46 39.56 1s78 s ILE 48 CO 0.11 0.44 -0.02 -0.72 -1.23 0.00 0.00 174.94 173.52 1s78 s TYR 49 N -0.35 1.59 -1.44 3.97 1.13 -0.33 0.17 117.35 122.09 1s78 s TYR 49 Ca 0.05 -0.88 -0.13 0.00 -1.41 0.00 0.00 57.07 54.69 1s78 s TYR 49 Cb -0.09 -0.91 0.10 0.00 -1.10 0.00 0.00 41.96 39.96 1s78 s TYR 49 CO 0.00 0.01 0.64 0.43 -2.51 0.00 0.00 175.55 174.12 1s78 n SER 50 N -0.42 -3.69 0.00 -0.18 7.64 -1.01 -1.74 113.62 114.22 1s78 n SER 50 Ca -0.05 -0.63 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1s78 n SER 50 Cb 0.64 -3.03 0.00 0.00 -1.01 0.00 0.00 64.21 60.81 1s78 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1s78 n ALA 51 N -3.93 0.00 -1.81 -0.43 0.00 0.45 -4.24 120.51 110.55 1s78 n ALA 51 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1s78 n ALA 51 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.92 1s78 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1s78 n SER 52 N 0.00 0.00 -4.20 0.00 3.41 -1.15 -2.31 113.62 109.36 1s78 n SER 52 Ca 0.00 -1.00 -0.32 0.00 -0.26 0.00 0.00 58.87 57.29 1s78 n SER 52 Cb 0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 63.78 1s78 n SER 52 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1s78 s TYR 53 N 0.00 2.62 0.14 7.33 4.12 -0.71 -4.58 117.35 126.26 1s78 s TYR 53 Ca 0.00 -1.16 -0.30 0.00 0.02 0.00 0.00 57.07 55.62 1s78 s TYR 53 Cb 0.00 -1.76 -0.07 0.00 -1.52 0.00 0.00 41.96 38.61 1s78 s TYR 53 CO 0.00 -0.50 1.22 1.03 0.02 0.00 0.00 175.55 177.32 1s78 s ARG 54 N 0.55 4.45 0.78 -0.62 0.52 -1.26 -1.19 118.95 122.18 1s78 s ARG 54 Ca -0.14 1.87 -0.11 0.00 -0.52 0.00 0.00 55.73 56.83 1s78 s ARG 54 Cb -0.17 -3.27 0.06 0.00 0.52 0.00 0.00 34.95 32.09 1s78 s ARG 54 CO 0.04 -0.18 1.09 -0.47 0.02 0.00 0.00 175.30 175.80 1s78 s TYR 55 N 0.41 2.59 -0.08 -0.53 5.04 -0.50 -4.88 117.35 119.40 1s78 s TYR 55 Ca 0.56 1.50 -0.38 0.00 -2.44 0.00 0.00 57.07 56.31 1s78 s TYR 55 Cb -0.32 -3.05 -0.16 0.00 0.35 0.00 0.00 41.96 38.78 1s78 s TYR 55 CO 0.34 -1.82 1.54 2.41 -1.34 0.00 0.00 175.55 176.67 1s78 n THR 56 N -3.54 0.15 0.00 4.34 -1.04 -1.26 -2.29 114.28 110.64 1s78 n THR 56 Ca 0.09 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1s78 n THR 56 Cb 0.53 -1.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1s78 n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1s78 n GLY 57 N 3.32 2.92 3.68 3.41 0.00 -1.26 -4.97 105.19 112.30 1s78 n GLY 57 Ca 0.22 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.76 1s78 n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s78 n VAL 58 N -2.00 0.47 -1.52 1.61 0.31 -0.97 -4.91 118.33 111.32 1s78 n VAL 58 Ca 0.00 -0.08 -0.40 0.00 -0.01 0.00 0.00 64.34 63.85 1s78 n VAL 58 Cb 0.00 -1.81 0.02 0.00 -0.91 0.00 0.00 33.84 31.14 1s78 n VAL 58 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1s78 n PRO 59 N 6.02 0.79 0.26 5.55 -0.04 -1.26 -4.89 135.00 141.43 1s78 n PRO 59 Ca 0.21 0.29 0.09 0.00 -0.04 0.00 0.00 63.50 64.06 1s78 n PRO 59 Cb 0.29 -1.79 0.67 0.00 -0.04 0.00 0.00 33.50 32.63 1s78 n PRO 59 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1s78 h SER 60 N 0.77 0.00 -0.02 3.54 4.64 -2.01 -2.64 113.55 117.84 1s78 h SER 60 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1s78 h SER 60 Cb 1.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1s78 h SER 60 CO 0.51 0.02 0.02 0.08 -0.87 0.00 0.00 176.83 176.58 1s78 h ARG 61 N 0.00 0.00 -6.37 4.77 0.11 -1.93 -3.41 114.38 107.54 1s78 h ARG 61 Ca -0.00 0.00 -0.55 0.00 0.10 0.00 0.00 59.98 59.53 1s78 h ARG 61 Cb 0.03 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 1s78 h ARG 61 CO 0.00 0.00 0.62 -0.06 0.10 0.00 0.00 179.97 180.63 1s78 s PHE 62 N -4.73 3.32 -0.03 4.08 0.08 -1.00 -1.74 117.98 117.96 1s78 s PHE 62 Ca -0.05 1.30 -0.02 0.00 0.12 0.00 0.00 56.93 58.28 1s78 s PHE 62 Cb 0.16 -3.39 0.01 0.00 -0.57 0.00 0.00 43.02 39.23 1s78 s PHE 62 CO 0.58 -1.15 0.07 -1.54 -0.10 0.00 0.00 175.22 173.08 1s78 s SER 63 N 1.30 -0.06 0.01 1.36 1.04 -1.01 -4.93 113.70 111.40 1s78 s SER 63 Ca 0.56 0.14 0.05 0.00 0.48 0.00 0.00 55.95 57.17 1s78 s SER 63 Cb -0.26 0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 1s78 s SER 63 CO 0.25 -0.04 -0.12 -0.83 0.98 0.00 0.00 173.24 173.48 1s78 s GLY 64 N 0.19 1.65 0.24 7.32 0.00 -1.26 -1.06 107.32 114.40 1s78 s GLY 64 Ca -0.01 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.64 1s78 s GLY 64 CO -0.01 -0.93 0.21 -1.35 0.00 0.00 0.00 173.10 171.03 1s78 s SER 65 N -1.28 0.53 0.00 1.64 1.04 -0.30 -3.94 113.70 111.38 1s78 s SER 65 Ca 0.15 -1.45 0.00 0.00 0.48 0.00 0.00 55.95 55.13 1s78 s SER 65 Cb -0.11 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1s78 s SER 65 CO 0.05 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.95 1s78 n GLY 66 N -0.38 0.22 3.50 7.32 0.00 -1.26 -2.55 105.19 112.04 1s78 n GLY 66 Ca 0.03 -1.80 -0.17 0.00 0.00 0.00 0.00 46.02 44.08 1s78 n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1s78 s SER 67 N -1.73 -0.64 0.00 1.61 0.15 -1.24 -4.87 113.70 106.99 1s78 s SER 67 Ca 0.00 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.24 1s78 s SER 67 Cb 0.00 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 1s78 s SER 67 CO 0.00 -0.67 0.00 0.61 1.20 0.00 0.00 173.24 174.38 1s78 n GLY 68 N 0.71 0.99 0.61 9.45 0.00 0.26 -4.28 105.19 112.92 1s78 n GLY 68 Ca -0.19 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.17 1s78 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1s78 n THR 69 N 0.00 0.37 -3.12 2.61 -2.24 -1.26 -0.81 114.28 109.83 1s78 n THR 69 Ca 0.00 -0.11 -0.40 0.00 -2.27 0.00 0.00 64.05 61.27 1s78 n THR 69 Cb 0.00 -1.39 -0.06 0.00 -2.10 0.00 0.00 70.33 66.78 1s78 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1s78 s ASP 70 N -5.38 6.61 0.11 3.42 1.01 -1.26 -1.13 116.67 120.06 1s78 s ASP 70 Ca -0.09 0.75 0.08 0.00 0.71 0.00 0.00 52.55 53.99 1s78 s ASP 70 Cb 0.03 -2.34 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 1s78 s ASP 70 CO 0.13 -0.33 -0.19 -0.36 0.21 0.00 0.00 175.17 174.63 1s78 s PHE 71 N 2.25 1.68 -0.07 4.23 0.40 -0.25 -3.58 117.98 122.65 1s78 s PHE 71 Ca 0.27 -0.44 -0.04 0.00 -0.60 0.00 0.00 56.93 56.12 1s78 s PHE 71 Cb -0.16 -0.91 0.03 0.00 0.51 0.00 0.00 43.02 42.50 1s78 s PHE 71 CO 0.09 0.20 0.15 0.99 0.70 0.00 0.00 175.22 177.35 1s78 s THR 72 N -1.37 -0.03 -0.13 0.64 2.01 -1.06 -0.29 115.64 115.41 1s78 s THR 72 Ca 0.07 0.12 -0.01 0.00 0.31 0.00 0.00 61.69 62.17 1s78 s THR 72 Cb -0.09 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.15 1s78 s THR 72 CO 0.04 0.05 -0.08 -0.22 -0.69 0.00 0.00 174.62 173.72 1s78 s LEU 73 N 0.84 3.01 -0.17 4.42 2.96 -0.01 -1.15 118.68 128.58 1s78 s LEU 73 Ca -0.06 -0.20 -0.02 0.00 -0.22 0.00 0.00 54.13 53.64 1s78 s LEU 73 Cb -0.08 -1.70 0.05 0.00 0.50 0.00 0.00 46.19 44.96 1s78 s LEU 73 CO -0.04 0.20 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.29 1s78 s THR 74 N 0.18 0.79 -0.49 3.68 2.01 -0.22 -0.15 115.64 121.43 1s78 s THR 74 Ca -0.04 -0.55 -0.23 0.00 0.31 0.00 0.00 61.69 61.18 1s78 s THR 74 Cb -0.14 -1.12 0.04 0.00 0.01 0.00 0.00 72.50 71.28 1s78 s THR 74 CO 0.04 -0.03 0.80 -0.63 -0.69 0.00 0.00 174.62 174.11 1s78 s ILE 75 N 1.76 4.62 0.24 1.82 1.01 0.45 -2.41 121.20 128.69 1s78 s ILE 75 Ca -0.00 0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.82 1s78 s ILE 75 Cb -0.16 -4.38 0.21 0.00 0.01 0.00 0.00 42.46 38.14 1s78 s ILE 75 CO -0.07 -0.85 1.77 0.77 0.00 0.00 0.00 174.94 176.56 1s78 h SER 76 N 9.08 0.47 -2.44 3.58 4.64 -1.62 -1.77 113.55 125.49 1s78 h SER 76 Ca -0.26 0.08 -0.20 0.00 -0.47 0.00 0.00 61.79 60.94 1s78 h SER 76 Cb 1.08 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.86 1s78 h SER 76 CO 1.00 0.23 -0.51 -0.55 -0.87 0.00 0.00 176.83 176.13 1s78 s SER 77 N -5.46 0.46 0.41 4.97 0.15 -1.26 -3.78 113.70 109.19 1s78 s SER 77 Ca -0.12 0.36 -0.25 0.00 0.70 0.00 0.00 55.95 56.64 1s78 s SER 77 Cb 0.20 0.86 -0.11 0.00 -1.71 0.00 0.00 66.02 65.26 1s78 s SER 77 CO 0.77 -0.28 1.05 -0.11 1.20 0.00 0.00 173.24 175.88 1s78 n LEU 78 N 5.35 2.77 -4.15 3.45 7.94 0.30 -4.73 117.00 127.93 1s78 n LEU 78 Ca -0.06 1.06 -0.20 0.00 -1.11 0.00 0.00 56.01 55.71 1s78 n LEU 78 Cb 0.50 -1.37 -0.13 0.00 0.53 0.00 0.00 43.42 42.95 1s78 n LEU 78 CO 0.04 -1.34 -0.47 -1.58 -1.11 0.00 0.00 177.39 172.94 1s78 s GLN 79 N -2.00 0.92 0.34 1.96 2.00 -1.26 -0.83 119.66 120.78 1s78 s GLN 79 Ca 0.62 -0.81 0.13 0.00 -2.00 0.00 0.00 55.36 53.30 1s78 s GLN 79 Cb -0.56 -0.94 1.07 0.00 0.80 0.00 0.00 33.01 33.38 1s78 s GLN 79 CO 0.57 0.23 1.62 -1.35 -0.50 0.00 0.00 175.29 175.86 1s78 h PRO 80 N 4.78 0.15 -0.03 1.67 0.11 -1.99 0.24 132.00 136.94 1s78 h PRO 80 Ca -0.39 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.66 1s78 h PRO 80 Cb 1.18 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1s78 h PRO 80 CO 0.43 0.10 -0.25 1.05 -0.21 0.00 0.00 178.00 179.12 1s78 h GLU 81 N 0.16 0.05 -0.06 1.05 4.11 -2.03 -3.24 114.58 114.61 1s78 h GLU 81 Ca 0.73 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 60.16 1s78 h GLU 81 Cb 1.71 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.96 1s78 h GLU 81 CO -0.71 0.30 0.14 -0.44 0.07 0.00 0.00 179.01 178.36 1s78 h ASP 82 N 0.04 0.00 -2.14 3.06 3.32 -0.93 -3.41 116.42 116.36 1s78 h ASP 82 Ca 0.01 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 1s78 h ASP 82 Cb 0.47 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1s78 h ASP 82 CO 0.03 0.00 1.45 -0.36 -1.72 0.00 0.00 179.24 178.64 1s78 s PHE 83 N -4.36 1.34 0.00 4.55 0.40 -1.23 -4.76 117.98 113.92 1s78 s PHE 83 Ca -0.05 0.67 0.00 0.00 -0.60 0.00 0.00 56.93 56.95 1s78 s PHE 83 Cb 0.13 -3.95 0.00 0.00 0.51 0.00 0.00 43.02 39.71 1s78 s PHE 83 CO 0.45 -3.59 0.00 0.00 0.70 0.00 0.00 175.22 172.78 1s78 n ALA 84 N 11.76 0.00 -2.77 5.36 0.00 -1.06 -4.98 120.51 128.81 1s78 n ALA 84 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.38 1s78 n ALA 84 Cb 0.47 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.81 1s78 n ALA 84 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1s78 s THR 85 N -2.23 4.13 -0.18 0.00 2.01 0.72 -0.29 115.64 119.80 1s78 s THR 85 Ca 0.00 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.69 1s78 s THR 85 Cb 0.00 -2.77 0.00 0.00 0.01 0.00 0.00 72.50 69.74 1s78 s THR 85 CO 0.00 0.55 -0.12 -0.31 -0.69 0.00 0.00 174.62 174.05 1s78 s TYR 86 N -0.33 2.85 0.08 4.92 1.51 0.25 0.67 117.35 127.30 1s78 s TYR 86 Ca 0.06 -1.11 0.04 0.00 -1.01 0.00 0.00 57.07 55.05 1s78 s TYR 86 Cb -0.12 -1.97 -0.04 0.00 -0.11 0.00 0.00 41.96 39.72 1s78 s TYR 86 CO 0.02 -0.56 0.02 0.71 -1.11 0.00 0.00 175.55 174.63 1s78 s TYR 87 N 1.12 3.04 0.25 2.71 2.02 0.07 -1.33 117.35 125.23 1s78 s TYR 87 Ca 0.01 0.00 0.08 0.00 -0.37 0.00 0.00 57.07 56.79 1s78 s TYR 87 Cb -0.14 -1.56 -0.04 0.00 -0.40 0.00 0.00 41.96 39.81 1s78 s TYR 87 CO -0.04 0.49 0.07 0.00 -1.57 0.00 0.00 175.55 174.50 1s78 s GLN 89 N -3.66 0.45 0.02 0.00 0.74 -0.47 0.10 119.66 116.84 1s78 s GLN 89 Ca 0.32 0.76 -0.17 0.00 0.05 0.00 0.00 55.36 56.32 1s78 s GLN 89 Cb -0.07 0.07 -0.06 0.00 1.10 0.00 0.00 33.01 34.05 1s78 s GLN 89 CO 0.22 -0.13 0.48 1.14 -0.55 0.00 0.00 175.29 176.45 1s78 s GLN 90 N 1.05 4.06 0.00 1.67 1.03 -0.98 -0.37 119.66 126.12 1s78 s GLN 90 Ca -0.07 0.54 0.00 0.00 0.04 0.00 0.00 55.36 55.88 1s78 s GLN 90 Cb -0.07 -3.25 0.00 0.00 0.03 0.00 0.00 33.01 29.73 1s78 s GLN 90 CO -0.09 0.62 0.43 2.48 -2.54 0.00 0.00 175.29 176.20 1s78 n TYR 91 N 1.95 0.00 -0.04 9.60 0.18 0.15 -3.20 117.16 125.80 1s78 n TYR 91 Ca -0.12 -0.02 0.04 0.00 1.88 0.00 0.00 57.90 59.69 1s78 n TYR 91 Cb 0.52 -0.00 0.41 0.00 -0.38 0.00 0.00 39.34 39.88 1s78 n TYR 91 CO 0.00 0.00 0.00 -0.92 -2.08 0.00 0.00 176.86 173.86 1s78 h TYR 92 N 0.00 0.56 -3.81 -3.48 3.20 -1.84 -3.43 116.97 108.16 1s78 h TYR 92 Ca 0.00 0.01 -0.27 0.00 3.14 0.00 0.00 58.73 61.61 1s78 h TYR 92 Cb 0.11 -0.19 -0.28 0.00 1.54 0.00 0.00 36.73 37.91 1s78 h TYR 92 CO 0.00 0.35 -0.73 0.42 -1.64 0.00 0.00 178.16 176.55 1s78 s ILE 93 N -5.53 0.18 0.33 1.81 -1.09 -1.26 -5.07 121.20 110.57 1s78 s ILE 93 Ca -0.09 -0.12 -0.26 0.00 -2.23 0.00 0.00 60.65 57.95 1s78 s ILE 93 Cb 0.18 -0.16 -0.09 0.00 -1.58 0.00 0.00 42.46 40.80 1s78 s ILE 93 CO 0.74 0.04 1.01 -0.47 -1.23 0.00 0.00 174.94 175.02 1s78 s TYR 94 N -0.09 3.56 0.38 3.97 6.14 -1.26 -3.67 117.35 126.38 1s78 s TYR 94 Ca 0.01 1.73 -0.21 0.00 0.64 0.00 0.00 57.07 59.24 1s78 s TYR 94 Cb -0.01 -3.06 -0.10 0.00 0.42 0.00 0.00 41.96 39.21 1s78 s TYR 94 CO -0.00 -0.18 0.91 -2.14 0.64 0.00 0.00 175.55 174.78 1s78 s PRO 95 N -2.02 4.27 0.06 4.97 0.02 -1.26 -4.97 135.00 136.07 1s78 s PRO 95 Ca 0.51 1.08 -0.31 0.00 0.02 0.00 0.00 61.00 62.30 1s78 s PRO 95 Cb -0.23 -2.38 -0.06 0.00 0.02 0.00 0.00 34.50 31.85 1s78 s PRO 95 CO 0.29 0.08 1.32 0.71 -0.33 0.00 0.00 177.00 179.07 1s78 s TYR 96 N -2.01 3.20 0.02 6.54 1.51 -1.24 -4.78 117.35 120.59 1s78 s TYR 96 Ca 0.58 1.04 0.05 0.00 -1.01 0.00 0.00 57.07 57.72 1s78 s TYR 96 Cb -0.11 -3.58 -0.02 0.00 -0.11 0.00 0.00 41.96 38.14 1s78 s TYR 96 CO 0.16 -2.00 -0.14 0.95 -1.11 0.00 0.00 175.55 173.41 1s78 s THR 97 N 1.49 1.13 0.15 -0.71 -4.23 -1.19 -5.05 115.64 107.23 1s78 s THR 97 Ca 0.62 -0.83 0.05 0.00 -1.18 0.00 0.00 61.69 60.35 1s78 s THR 97 Cb -0.32 -0.99 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 1s78 s THR 97 CO 0.28 0.15 0.10 -0.36 -0.54 0.00 0.00 174.62 174.26 1s78 s PHE 98 N -0.61 3.10 0.83 3.99 0.40 -1.26 -2.32 117.98 122.11 1s78 s PHE 98 Ca 0.04 -0.02 -0.11 0.00 -0.60 0.00 0.00 56.93 56.23 1s78 s PHE 98 Cb -0.07 -1.51 0.09 0.00 0.51 0.00 0.00 43.02 42.04 1s78 s PHE 98 CO 0.00 0.52 1.09 0.20 0.70 0.00 0.00 175.22 177.73 1s78 s GLY 99 N -2.94 1.65 0.11 4.36 0.00 0.29 -4.60 107.32 106.18 1s78 s GLY 99 Ca 0.30 0.11 0.26 0.00 0.00 0.00 0.00 44.72 45.39 1s78 s GLY 99 CO 0.22 0.53 1.81 0.61 0.00 0.00 0.00 173.10 176.27 1s78 n GLN 100 N -3.69 0.13 0.00 2.90 0.00 -1.26 -4.70 117.38 110.76 1s78 n GLN 100 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 57.00 57.23 1s78 n GLN 100 Cb 0.54 -1.66 0.00 0.00 0.00 0.00 0.00 30.24 29.12 1s78 n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1s78 n GLY 101 N 1.16 2.52 2.87 2.61 0.00 -1.26 -5.06 105.19 108.03 1s78 n GLY 101 Ca 0.06 -1.84 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 1s78 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s78 s THR 102 N -2.52 0.82 -0.34 2.61 2.01 -0.44 -4.64 115.64 113.14 1s78 s THR 102 Ca 0.00 -0.17 -0.22 0.00 0.31 0.00 0.00 61.69 61.61 1s78 s THR 102 Cb 0.00 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.64 1s78 s THR 102 CO 0.00 0.33 0.71 -0.54 -0.69 0.00 0.00 174.62 174.43 1s78 s LYS 103 N 1.67 3.81 -0.20 4.92 1.02 -0.64 -0.58 119.74 129.74 1s78 s LYS 103 Ca 0.03 0.30 -0.17 0.00 0.02 0.00 0.00 55.97 56.15 1s78 s LYS 103 Cb -0.13 -3.77 -0.04 0.00 -0.52 0.00 0.00 37.83 33.37 1s78 s LYS 103 CO -0.06 -0.72 0.46 0.08 -0.92 0.00 0.00 175.35 174.18 1s78 s VAL 104 N 2.86 5.15 0.03 3.17 1.01 0.60 -0.33 120.40 132.90 1s78 s VAL 104 Ca 0.28 0.83 0.06 0.00 0.00 0.00 0.00 61.98 63.15 1s78 s VAL 104 Cb -0.14 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.43 1s78 s VAL 104 CO 0.14 0.22 -0.17 -0.70 0.00 0.00 0.00 175.10 174.60 1s78 s GLU 105 N 1.44 1.15 -0.21 2.72 -6.30 0.08 -2.56 118.70 115.03 1s78 s GLU 105 Ca 0.22 -0.77 -0.29 0.00 -2.50 0.00 0.00 54.97 51.62 1s78 s GLU 105 Cb -0.15 -1.19 0.00 0.00 0.00 0.00 0.00 34.13 32.80 1s78 s GLU 105 CO 0.09 0.30 1.10 -1.50 0.02 0.00 0.00 175.26 175.27 1s78 s ILE 106 N -0.73 4.58 0.15 -3.70 2.07 -1.25 -0.88 121.20 121.43 1s78 s ILE 106 Ca 0.04 1.91 -0.21 0.00 -1.41 0.00 0.00 60.65 60.98 1s78 s ILE 106 Cb -0.08 -4.23 -0.08 0.00 0.13 0.00 0.00 42.46 38.21 1s78 s ILE 106 CO 0.01 -0.16 0.69 -0.75 -1.91 0.00 0.00 174.94 172.81 1s78 s LYS 107 N 3.24 4.34 0.31 3.50 2.20 0.27 -4.88 119.74 128.72 1s78 s LYS 107 Ca 0.47 0.91 0.07 0.00 -0.36 0.00 0.00 55.97 57.06 1s78 s LYS 107 Cb -0.17 -3.13 -0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1s78 s LYS 107 CO 0.08 0.54 0.27 2.89 -0.36 0.00 0.00 175.35 178.78 1s78 n ARG 108 N 1.34 0.40 -2.24 4.03 1.85 -1.26 -4.63 116.66 116.14 1s78 n ARG 108 Ca -0.06 -3.06 -0.39 0.00 -1.00 0.00 0.00 57.85 53.34 1s78 n ARG 108 Cb 0.50 2.53 -0.02 0.00 -1.05 0.00 0.00 32.46 34.43 1s78 n ARG 108 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1s78 s THR 109 N -3.23 3.03 0.25 8.89 2.01 -1.26 -4.96 115.64 120.37 1s78 s THR 109 Ca 0.36 0.90 -0.31 0.00 0.31 0.00 0.00 61.69 62.96 1s78 s THR 109 Cb 0.02 -3.52 -0.11 0.00 0.01 0.00 0.00 72.50 68.89 1s78 s THR 109 CO 0.26 0.12 1.62 -0.69 -0.69 0.00 0.00 174.62 175.23 1s78 s VAL 110 N -1.34 2.17 0.35 3.82 1.01 -1.26 -4.91 120.40 120.25 1s78 s VAL 110 Ca 0.55 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.69 1s78 s VAL 110 Cb -0.33 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 32.95 1s78 s VAL 110 CO 0.42 0.02 0.08 0.00 0.00 0.00 0.00 175.10 175.62 1s78 n ALA 111 N 2.94 0.42 -2.89 5.51 0.00 -0.96 -4.99 120.51 120.55 1s78 n ALA 111 Ca 0.11 -1.71 -0.12 0.00 0.00 0.00 0.00 53.44 51.73 1s78 n ALA 111 Cb 0.37 1.08 -0.14 0.00 0.00 0.00 0.00 19.45 20.76 1s78 n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s78 s ALA 112 N -2.83 0.02 0.42 0.00 0.00 -1.26 -4.10 121.76 114.01 1s78 s ALA 112 Ca 0.11 -0.08 -0.22 0.00 0.00 0.00 0.00 51.96 51.77 1s78 s ALA 112 Cb 0.01 0.02 -0.11 0.00 0.00 0.00 0.00 23.12 23.04 1s78 s ALA 112 CO 0.08 -0.02 0.96 -1.25 0.00 0.00 0.00 175.76 175.53 1s78 s PRO 113 N -0.21 4.24 -1.13 0.00 0.04 -1.26 -4.66 135.00 132.02 1s78 s PRO 113 Ca -0.02 1.19 -0.08 0.00 0.04 0.00 0.00 61.00 62.13 1s78 s PRO 113 Cb -0.01 -2.27 0.27 0.00 0.04 0.00 0.00 34.50 32.52 1s78 s PRO 113 CO -0.00 -0.03 1.31 -1.13 0.04 0.00 0.00 177.00 177.19 1s78 n SER 114 N -0.48 5.76 -4.53 6.66 3.41 -0.97 -4.84 113.62 118.63 1s78 n SER 114 Ca 0.06 -3.15 -0.50 0.00 -0.26 0.00 0.00 58.87 55.02 1s78 n SER 114 Cb 0.53 -1.37 -0.04 0.00 -0.26 0.00 0.00 64.21 63.07 1s78 n SER 114 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1s78 n VAL 115 N 2.48 1.04 -4.62 -3.33 0.31 -1.26 -4.31 118.33 108.64 1s78 n VAL 115 Ca 0.27 -0.26 -0.29 0.00 -0.01 0.00 0.00 64.34 64.05 1s78 n VAL 115 Cb 0.37 -0.51 -0.07 0.00 -0.91 0.00 0.00 33.84 32.72 1s78 n VAL 115 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1s78 s PHE 116 N -0.39 1.77 -0.27 3.52 0.08 -0.82 -4.92 117.98 116.95 1s78 s PHE 116 Ca 0.74 -1.24 -0.24 0.00 0.12 0.00 0.00 56.93 56.30 1s78 s PHE 116 Cb -0.94 -1.29 0.07 0.00 -0.57 0.00 0.00 43.02 40.30 1s78 s PHE 116 CO 0.54 -0.18 0.73 -1.50 -0.10 0.00 0.00 175.22 174.71 1s78 s ILE 117 N -3.08 0.00 -0.02 0.64 2.07 -1.26 -4.12 121.20 115.43 1s78 s ILE 117 Ca 0.14 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.40 1s78 s ILE 117 Cb 0.01 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.60 1s78 s ILE 117 CO 0.10 0.00 -0.06 -0.36 -1.91 0.00 0.00 174.94 172.71 1s78 s PHE 118 N 0.49 0.71 0.27 3.50 0.08 -1.26 -5.00 117.98 116.77 1s78 s PHE 118 Ca -0.01 -0.17 -0.08 0.00 0.12 0.00 0.00 56.93 56.80 1s78 s PHE 118 Cb -0.05 -0.54 -0.06 0.00 -0.57 0.00 0.00 43.02 41.80 1s78 s PHE 118 CO -0.01 -0.10 0.57 -1.25 -0.10 0.00 0.00 175.22 174.33 1s78 s PRO 119 N 0.34 3.73 0.40 0.24 0.04 -1.26 -2.99 135.00 135.50 1s78 s PRO 119 Ca -0.04 0.18 -0.27 0.00 0.04 0.00 0.00 61.00 60.90 1s78 s PRO 119 Cb -0.09 -2.63 -0.10 0.00 0.04 0.00 0.00 34.50 31.73 1s78 s PRO 119 CO 0.00 0.25 1.41 -1.25 0.04 0.00 0.00 177.00 177.45 1s78 s PRO 120 N -3.20 3.96 0.92 0.56 0.04 -1.24 -4.99 135.00 131.06 1s78 s PRO 120 Ca 0.46 2.41 -0.12 0.00 0.04 0.00 0.00 61.00 63.79 1s78 s PRO 120 Cb -0.11 -2.83 0.14 0.00 0.04 0.00 0.00 34.50 31.74 1s78 s PRO 120 CO 0.26 -0.59 1.09 -1.54 0.04 0.00 0.00 177.00 176.26 1s78 s SER 121 N -0.41 3.23 0.44 6.66 1.04 -1.26 -4.91 113.70 118.48 1s78 s SER 121 Ca 0.56 1.53 0.15 0.00 0.48 0.00 0.00 55.95 58.67 1s78 s SER 121 Cb -0.43 -2.20 0.98 0.00 0.10 0.00 0.00 66.02 64.47 1s78 s SER 121 CO 0.57 -2.80 1.96 0.44 0.98 0.00 0.00 173.24 174.39 1s78 h ASP 122 N -1.66 0.00 1.38 7.02 5.19 -2.02 -2.69 116.42 123.64 1s78 h ASP 122 Ca -0.50 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1s78 h ASP 122 Cb 1.29 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1s78 h ASP 122 CO 0.53 0.22 -0.11 -0.62 -3.12 0.00 0.00 179.24 176.14 1s78 n GLU 123 N -4.20 0.28 -0.04 3.56 4.71 -1.26 -3.96 120.64 119.73 1s78 n GLU 123 Ca -0.02 0.20 -0.06 0.00 -0.01 0.00 0.00 57.16 57.27 1s78 n GLU 123 Cb 0.28 -1.79 -0.14 0.00 -1.01 0.00 0.00 31.44 28.78 1s78 n GLU 123 CO 0.00 0.00 0.00 0.94 0.09 0.00 0.00 177.13 178.16 1s78 n GLN 124 N -2.26 0.65 0.03 3.49 7.27 -1.02 -4.42 117.38 121.12 1s78 n GLN 124 Ca 0.05 0.14 0.07 0.00 0.07 0.00 0.00 57.00 57.33 1s78 n GLN 124 Cb 0.44 -1.68 0.29 0.00 2.41 0.00 0.00 30.24 31.69 1s78 n GLN 124 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1s78 n LEU 125 N -2.86 0.12 -1.33 1.69 4.77 -1.20 -2.18 117.00 116.02 1s78 n LEU 125 Ca -0.21 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 56.43 1s78 n LEU 125 Cb 1.02 -0.53 0.31 0.00 -2.33 0.00 0.00 43.42 41.89 1s78 n LEU 125 CO 0.44 -0.37 0.76 2.29 -1.33 0.00 0.00 177.39 179.18 1s78 n LYS 126 N -1.64 2.69 -0.02 3.23 2.85 -1.26 -4.61 118.16 119.40 1s78 n LYS 126 Ca 0.02 -2.61 -0.00 0.00 -1.05 0.00 0.00 58.31 54.68 1s78 n LYS 126 Cb 0.14 -1.56 -0.00 0.00 -0.65 0.00 0.00 35.03 32.96 1s78 n LYS 126 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1s78 h SER 127 N 4.37 -0.00 0.00 -5.58 0.02 -1.72 -3.49 113.55 107.14 1s78 h SER 127 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1s78 h SER 127 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1s78 h SER 127 CO 0.00 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.50 1s78 n GLY 128 N 1.88 0.04 3.20 -3.77 0.00 -1.26 -5.12 105.19 100.17 1s78 n GLY 128 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1s78 n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s78 s THR 129 N 0.00 0.00 0.03 2.61 -4.23 -1.26 -2.48 115.64 110.30 1s78 s THR 129 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.49 1s78 s THR 129 Cb 0.00 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.32 1s78 s THR 129 CO 0.00 0.00 0.02 0.00 -0.54 0.00 0.00 174.62 174.10 1s78 s ALA 130 N -4.13 0.06 -0.05 3.99 0.00 0.14 -4.66 121.76 117.11 1s78 s ALA 130 Ca 0.39 -0.59 -0.00 0.00 0.00 0.00 0.00 51.96 51.75 1s78 s ALA 130 Cb 0.07 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.40 1s78 s ALA 130 CO 0.13 -0.23 -0.01 -1.12 0.00 0.00 0.00 175.76 174.53 1s78 s SER 131 N -1.79 1.07 -0.07 0.00 0.01 -1.26 -1.71 113.70 109.94 1s78 s SER 131 Ca -0.10 -0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.13 1s78 s SER 131 Cb -0.05 -0.37 -0.00 0.00 0.21 0.00 0.00 66.02 65.80 1s78 s SER 131 CO -0.03 -0.13 -0.22 -0.69 0.41 0.00 0.00 173.24 172.59 1s78 s VAL 132 N 1.40 1.85 0.59 3.43 1.01 -0.15 -3.61 120.40 124.92 1s78 s VAL 132 Ca -0.04 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.11 1s78 s VAL 132 Cb -0.13 -1.59 0.09 0.00 0.00 0.00 0.00 36.38 34.75 1s78 s VAL 132 CO -0.03 0.51 0.74 -0.69 0.00 0.00 0.00 175.10 175.64 1s78 s VAL 133 N 0.18 1.89 0.00 2.92 1.01 -1.16 -0.88 120.40 124.35 1s78 s VAL 133 Ca -0.11 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.76 1s78 s VAL 133 Cb -0.15 -2.00 0.00 0.00 0.00 0.00 0.00 36.38 34.22 1s78 s VAL 133 CO 0.06 0.00 0.41 0.00 0.00 0.00 0.00 175.10 175.57 1s78 n LEU 135 N 0.00 0.17 -4.62 0.00 7.94 -1.26 -4.30 117.00 114.93 1s78 n LEU 135 Ca 0.00 0.14 -0.41 0.00 -1.11 0.00 0.00 56.01 54.63 1s78 n LEU 135 Cb 0.53 -0.29 -0.05 0.00 0.53 0.00 0.00 43.42 44.13 1s78 n LEU 135 CO 0.00 -0.24 0.51 -0.76 -1.11 0.00 0.00 177.39 175.79 1s78 s LEU 136 N 2.33 4.08 -0.15 -1.96 1.02 -0.80 -1.94 118.68 121.27 1s78 s LEU 136 Ca 0.40 0.75 -0.02 0.00 0.02 0.00 0.00 54.13 55.28 1s78 s LEU 136 Cb -0.44 -2.99 -0.02 0.00 0.02 0.00 0.00 46.19 42.76 1s78 s LEU 136 CO 0.19 -0.48 -0.09 0.21 0.02 0.00 0.00 176.35 176.19 1s78 s ASN 137 N 1.50 4.30 -0.41 2.29 2.47 -1.26 -1.08 114.94 122.74 1s78 s ASN 137 Ca 0.30 -0.27 -0.18 0.00 0.42 0.00 0.00 52.86 53.13 1s78 s ASN 137 Cb -0.15 -1.68 0.02 0.00 -1.45 0.00 0.00 41.25 37.99 1s78 s ASN 137 CO 0.10 0.15 0.54 0.59 -3.72 0.00 0.00 177.10 174.75 1s78 n ASN 138 N 3.64 -7.54 -4.07 -4.21 4.13 -0.98 -2.28 115.26 103.95 1s78 n ASN 138 Ca -0.18 0.51 -0.08 0.00 1.68 0.00 0.00 54.58 56.51 1s78 n ASN 138 Cb 0.52 -4.70 -0.09 0.00 -1.54 0.00 0.00 39.78 33.97 1s78 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1s78 s PHE 139 N -2.29 0.56 -0.18 3.10 -0.71 -1.03 -4.18 117.98 113.24 1s78 s PHE 139 Ca 0.24 -1.03 -0.17 0.00 -1.04 0.00 0.00 56.93 54.93 1s78 s PHE 139 Cb -0.06 -0.35 0.05 0.00 -1.21 0.00 0.00 43.02 41.45 1s78 s PHE 139 CO 0.77 -0.47 0.49 -0.47 -1.34 0.00 0.00 175.22 174.20 1s78 s TYR 140 N -3.95 -0.55 0.00 3.49 6.14 -1.26 -1.13 117.35 120.09 1s78 s TYR 140 Ca 0.13 1.32 0.00 0.00 0.64 0.00 0.00 57.07 59.15 1s78 s TYR 140 Cb 0.07 0.19 0.00 0.00 0.42 0.00 0.00 41.96 42.64 1s78 s TYR 140 CO -0.06 -0.26 0.00 -2.30 0.64 0.00 0.00 175.55 173.57 1s78 n PRO 141 N 2.90 0.66 0.13 4.97 -0.02 -1.26 -2.25 135.00 140.13 1s78 n PRO 141 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 1s78 n PRO 141 Cb 0.57 0.00 0.30 0.00 -0.02 0.00 0.00 33.50 34.34 1s78 n PRO 141 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1s78 h ARG 142 N 0.00 0.14 -6.03 -0.52 2.43 -2.01 -3.44 114.38 104.94 1s78 h ARG 142 Ca 0.00 -0.06 -0.61 0.00 -0.81 0.00 0.00 59.98 58.50 1s78 h ARG 142 Cb 0.00 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.54 1s78 h ARG 142 CO 0.00 0.49 1.43 0.39 -1.51 0.00 0.00 179.97 180.77 1s78 n GLU 143 N -4.08 1.76 -3.66 0.20 4.71 -1.26 -4.94 120.64 113.37 1s78 n GLU 143 Ca -0.01 0.51 -0.07 0.00 -0.01 0.00 0.00 57.16 57.57 1s78 n GLU 143 Cb 0.43 -2.95 -0.08 0.00 -1.01 0.00 0.00 31.44 27.83 1s78 n GLU 143 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1s78 s ALA 144 N 7.49 -1.44 -0.00 0.62 0.00 -1.26 -4.47 121.76 122.69 1s78 s ALA 144 Ca 1.02 1.87 -0.21 0.00 0.00 0.00 0.00 51.96 54.65 1s78 s ALA 144 Cb -0.53 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.24 1s78 s ALA 144 CO 0.41 -0.55 0.60 0.15 0.00 0.00 0.00 175.76 176.38 1s78 s LYS 145 N 2.06 4.33 -0.04 0.00 1.02 -1.13 -5.00 119.74 120.97 1s78 s LYS 145 Ca -0.07 0.75 -0.00 0.00 0.02 0.00 0.00 55.97 56.67 1s78 s LYS 145 Cb -0.09 -3.34 0.03 0.00 -0.52 0.00 0.00 37.83 33.90 1s78 s LYS 145 CO -0.16 0.36 -0.01 0.08 -0.92 0.00 0.00 175.35 174.71 1s78 s VAL 146 N -0.18 0.29 -0.07 3.17 1.01 -1.26 -2.39 120.40 120.96 1s78 s VAL 146 Ca 0.31 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.34 1s78 s VAL 146 Cb -0.18 -0.39 0.04 0.00 0.00 0.00 0.00 36.38 35.85 1s78 s VAL 146 CO 0.17 0.19 0.14 0.00 0.00 0.00 0.00 175.10 175.61 1s78 s GLN 147 N 1.31 0.02 0.54 2.72 1.03 -1.24 -5.07 119.66 118.96 1s78 s GLN 147 Ca -0.05 0.49 -0.17 0.00 0.04 0.00 0.00 55.36 55.67 1s78 s GLN 147 Cb -0.13 -0.29 -0.06 0.00 0.03 0.00 0.00 33.01 32.55 1s78 s GLN 147 CO -0.02 -0.29 1.02 -1.58 -2.54 0.00 0.00 175.29 171.89 1s78 s TRP 148 N 2.07 3.17 -0.19 9.60 0.52 -1.26 -3.44 118.94 129.42 1s78 s TRP 148 Ca 0.01 1.51 -0.04 0.00 0.02 0.00 0.00 56.10 57.60 1s78 s TRP 148 Cb -0.12 -2.93 0.08 0.00 -1.15 0.00 0.00 33.47 29.35 1s78 s TRP 148 CO -0.05 -0.76 0.18 -1.59 0.02 0.00 0.00 176.95 174.75 1s78 s LYS 149 N -3.90 0.14 -0.27 4.98 -2.85 -1.12 -0.61 119.74 116.11 1s78 s LYS 149 Ca 0.62 0.16 -0.26 0.00 -1.00 0.00 0.00 55.97 55.49 1s78 s LYS 149 Cb -0.14 -1.30 0.00 0.00 -2.06 0.00 0.00 37.83 34.33 1s78 s LYS 149 CO 0.31 -0.63 0.91 0.08 0.10 0.00 0.00 175.35 176.12 1s78 s VAL 150 N 2.27 4.73 0.00 1.79 1.01 -0.44 -3.60 120.40 126.17 1s78 s VAL 150 Ca 0.05 1.59 0.00 0.00 0.00 0.00 0.00 61.98 63.62 1s78 s VAL 150 Cb -0.16 -4.22 0.00 0.00 0.00 0.00 0.00 36.38 32.00 1s78 s VAL 150 CO -0.11 -0.22 0.00 0.47 0.00 0.00 0.00 175.10 175.24 1s78 n ASP 151 N 6.29 0.00 -0.08 3.32 8.00 -0.88 -2.68 116.55 130.51 1s78 n ASP 151 Ca 0.08 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.47 1s78 n ASP 151 Cb 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1s78 n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s78 n ASN 152 N 1.79 1.85 -4.89 -2.24 4.13 -1.26 -5.04 115.26 109.60 1s78 n ASN 152 Ca 0.00 0.31 -0.30 0.00 1.68 0.00 0.00 54.58 56.28 1s78 n ASN 152 Cb 0.00 -0.71 -0.03 0.00 -1.54 0.00 0.00 39.78 37.50 1s78 n ASN 152 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1s78 s ALA 153 N -2.78 3.42 0.87 5.41 0.00 -1.09 -5.01 121.76 122.57 1s78 s ALA 153 Ca -0.27 -0.32 -0.13 0.00 0.00 0.00 0.00 51.96 51.24 1s78 s ALA 153 Cb 0.05 -2.60 0.12 0.00 0.00 0.00 0.00 23.12 20.69 1s78 s ALA 153 CO 0.40 0.01 1.19 -0.51 0.00 0.00 0.00 175.76 176.85 1s78 s LEU 154 N -3.88 2.36 0.05 0.00 1.02 -1.26 -1.33 118.68 115.63 1s78 s LEU 154 Ca 0.49 0.75 0.01 0.00 0.02 0.00 0.00 54.13 55.39 1s78 s LEU 154 Cb -0.10 -3.10 -0.03 0.00 0.02 0.00 0.00 46.19 42.97 1s78 s LEU 154 CO 0.32 -2.26 -0.05 -1.10 0.02 0.00 0.00 176.35 173.29 1s78 s GLN 155 N -5.55 0.53 -0.22 1.70 -1.52 0.22 -4.78 119.66 110.04 1s78 s GLN 155 Ca 0.65 -0.93 -0.08 0.00 -1.95 0.00 0.00 55.36 53.05 1s78 s GLN 155 Cb -0.11 -0.02 0.10 0.00 -0.22 0.00 0.00 33.01 32.76 1s78 s GLN 155 CO 0.51 -0.04 0.47 -1.54 -0.25 0.00 0.00 175.29 174.44 1s78 s SER 156 N -2.14 -0.46 0.00 5.90 1.04 -1.26 -4.29 113.70 112.49 1s78 s SER 156 Ca -0.04 1.11 0.00 0.00 0.48 0.00 0.00 55.95 57.50 1s78 s SER 156 Cb -0.03 1.48 0.00 0.00 0.10 0.00 0.00 66.02 67.58 1s78 s SER 156 CO -0.04 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1s78 n GLY 157 N 5.29 1.67 0.00 7.32 0.00 -1.26 -5.00 105.19 113.22 1s78 n GLY 157 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1s78 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1s78 n ASN 158 N 0.00 0.05 -4.68 1.61 6.94 -1.26 -5.08 115.26 112.84 1s78 n ASN 158 Ca 0.00 -0.28 -0.32 0.00 -0.02 0.00 0.00 54.58 53.96 1s78 n ASN 158 Cb 0.00 0.26 -0.09 0.00 -2.36 0.00 0.00 39.78 37.60 1s78 n ASN 158 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 1s78 s SER 159 N -0.26 5.07 -0.03 0.53 0.01 -1.26 -3.58 113.70 114.17 1s78 s SER 159 Ca 0.00 -0.08 0.04 0.00 1.31 0.00 0.00 55.95 57.23 1s78 s SER 159 Cb 0.00 -1.28 -0.00 0.00 0.21 0.00 0.00 66.02 64.95 1s78 s SER 159 CO 0.00 0.24 -0.16 -1.10 0.41 0.00 0.00 173.24 172.63 1s78 s GLN 160 N -1.84 1.55 0.38 12.44 -0.21 -1.24 -5.00 119.66 125.75 1s78 s GLN 160 Ca 0.22 -0.55 -0.15 0.00 0.02 0.00 0.00 55.36 54.90 1s78 s GLN 160 Cb -0.12 -1.39 -0.09 0.00 1.00 0.00 0.00 33.01 32.42 1s78 s GLN 160 CO 0.13 0.24 0.81 -1.21 -2.12 0.00 0.00 175.29 173.15 1s78 s GLU 161 N -0.02 3.98 -0.11 2.91 2.02 -1.26 -2.99 118.70 123.23 1s78 s GLU 161 Ca -0.02 0.73 -0.04 0.00 0.02 0.00 0.00 54.97 55.66 1s78 s GLU 161 Cb -0.10 -2.34 0.05 0.00 0.10 0.00 0.00 34.13 31.84 1s78 s GLU 161 CO 0.01 0.03 0.22 0.45 0.02 0.00 0.00 175.26 176.00 1s78 s SER 162 N -2.56 0.33 -0.05 -0.19 0.15 -1.16 -4.97 113.70 105.25 1s78 s SER 162 Ca 0.55 0.49 0.06 0.00 0.70 0.00 0.00 55.95 57.75 1s78 s SER 162 Cb -0.10 0.50 -0.01 0.00 -1.71 0.00 0.00 66.02 64.70 1s78 s SER 162 CO 0.22 -0.22 -0.23 -0.69 1.20 0.00 0.00 173.24 173.51 1s78 s VAL 163 N 2.11 1.88 0.89 4.45 1.01 -1.26 -1.60 120.40 127.88 1s78 s VAL 163 Ca -0.01 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 60.89 1s78 s VAL 163 Cb -0.12 -1.60 0.13 0.00 0.00 0.00 0.00 36.38 34.79 1s78 s VAL 163 CO -0.08 0.53 1.10 0.42 0.00 0.00 0.00 175.10 177.07 1s78 s THR 164 N -0.13 2.68 0.66 3.92 -4.23 -0.94 -4.98 115.64 112.62 1s78 s THR 164 Ca -0.03 0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.57 1s78 s THR 164 Cb -0.13 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.12 1s78 s THR 164 CO 0.03 -0.29 1.07 -1.61 -0.54 0.00 0.00 174.62 173.28 1s78 s GLU 165 N -4.83 3.02 0.16 3.99 0.41 -1.26 -4.66 118.70 115.52 1s78 s GLU 165 Ca 0.64 1.12 -0.33 0.00 -0.41 0.00 0.00 54.97 55.99 1s78 s GLU 165 Cb -0.19 -2.00 -0.16 0.00 -1.78 0.00 0.00 34.13 30.00 1s78 s GLU 165 CO 0.58 -1.04 1.11 0.94 -0.49 0.00 0.00 175.26 176.35 1s78 n GLN 166 N -2.64 0.97 -1.84 1.61 -0.06 -1.26 -4.82 117.38 109.35 1s78 n GLN 166 Ca 0.08 0.35 -0.41 0.00 -2.00 0.00 0.00 57.00 55.02 1s78 n GLN 166 Cb 0.53 -1.81 -0.01 0.00 -4.06 0.00 0.00 30.24 24.89 1s78 n GLN 166 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 1s78 s ASP 167 N -0.06 6.40 0.33 1.69 2.15 -0.28 -4.90 116.67 122.00 1s78 s ASP 167 Ca 0.74 2.99 0.10 0.00 0.43 0.00 0.00 52.55 56.81 1s78 s ASP 167 Cb -0.90 -2.66 0.59 0.00 -0.30 0.00 0.00 42.92 39.65 1s78 s ASP 167 CO 0.53 -0.84 1.76 0.28 -0.17 0.00 0.00 175.17 176.73 1s78 h SER 168 N 3.36 0.10 0.00 -0.34 0.02 -1.92 -2.73 113.55 112.04 1s78 h SER 168 Ca -0.50 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 1s78 h SER 168 Cb 1.23 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1s78 h SER 168 CO 0.67 0.50 -0.21 1.17 -1.14 0.00 0.00 176.83 177.81 1s78 n LYS 169 N -4.05 0.12 -0.24 3.45 4.81 -1.26 -4.73 118.16 116.26 1s78 n LYS 169 Ca -0.02 0.10 0.09 0.00 -0.87 0.00 0.00 58.31 57.61 1s78 n LYS 169 Cb 0.45 -0.77 0.24 0.00 0.02 0.00 0.00 35.03 34.97 1s78 n LYS 169 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 1s78 n ASP 170 N -2.93 2.69 -4.00 3.14 5.68 -1.26 -4.97 116.55 114.90 1s78 n ASP 170 Ca -0.03 -1.98 -0.32 0.00 -0.50 0.00 0.00 54.79 51.96 1s78 n ASP 170 Cb 0.11 -0.32 0.01 0.00 -1.14 0.00 0.00 41.12 39.78 1s78 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1s78 n SER 171 N 0.97 -4.17 -4.76 -1.12 7.64 -1.03 -4.93 113.62 106.23 1s78 n SER 171 Ca 0.17 -0.85 -0.28 0.00 1.01 0.00 0.00 58.87 58.92 1s78 n SER 171 Cb 0.43 -3.55 -0.07 0.00 -1.01 0.00 0.00 64.21 60.02 1s78 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1s78 s THR 172 N -3.33 1.74 0.14 0.44 -4.23 -1.26 -4.67 115.64 104.48 1s78 s THR 172 Ca 0.65 -1.81 0.02 0.00 -1.18 0.00 0.00 61.69 59.37 1s78 s THR 172 Cb -0.34 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 70.97 1s78 s THR 172 CO 0.86 0.00 0.15 -1.22 -0.54 0.00 0.00 174.62 173.87 1s78 n TYR 173 N -1.31 -1.92 -3.57 3.99 4.02 -0.28 -1.12 117.16 116.96 1s78 n TYR 173 Ca -0.08 -0.57 -0.16 0.00 -0.01 0.00 0.00 57.90 57.09 1s78 n TYR 173 Cb 0.66 -0.12 -0.06 0.00 -0.02 0.00 0.00 39.34 39.79 1s78 n TYR 173 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 1s78 s SER 174 N -1.86 -0.67 0.33 7.72 0.01 -1.26 -2.32 113.70 115.65 1s78 s SER 174 Ca 0.11 1.00 0.09 0.00 1.31 0.00 0.00 55.95 58.46 1s78 s SER 174 Cb -0.01 0.91 -0.06 0.00 0.21 0.00 0.00 66.02 67.07 1s78 s SER 174 CO 0.07 -0.43 -0.08 -0.22 0.41 0.00 0.00 173.24 172.99 1s78 s LEU 175 N -0.49 2.67 -0.29 2.44 0.20 -0.24 -2.21 118.68 120.75 1s78 s LEU 175 Ca -0.05 -1.20 0.03 0.00 0.69 0.00 0.00 54.13 53.60 1s78 s LEU 175 Cb -0.02 -0.90 0.17 0.00 -0.43 0.00 0.00 46.19 45.01 1s78 s LEU 175 CO 0.05 -0.25 0.47 -0.94 -0.29 0.00 0.00 176.35 175.39 1s78 s SER 176 N -3.57 -0.27 -1.06 3.68 1.04 -0.63 -1.91 113.70 110.98 1s78 s SER 176 Ca 0.32 -0.20 -0.20 0.00 0.48 0.00 0.00 55.95 56.35 1s78 s SER 176 Cb 0.03 1.41 0.10 0.00 0.10 0.00 0.00 66.02 67.65 1s78 s SER 176 CO 0.15 -0.34 1.39 -0.55 0.98 0.00 0.00 173.24 174.88 1s78 s SER 177 N 2.64 6.68 -0.35 7.02 0.15 -1.26 -3.00 113.70 125.57 1s78 s SER 177 Ca 0.10 -2.02 -0.29 0.00 0.70 0.00 0.00 55.95 54.44 1s78 s SER 177 Cb -0.12 -2.49 -0.01 0.00 -1.71 0.00 0.00 66.02 61.69 1s78 s SER 177 CO -0.29 -1.21 1.63 -0.89 1.20 0.00 0.00 173.24 173.68 1s78 s THR 178 N 3.66 3.67 -0.25 6.45 2.01 -1.16 -4.10 115.64 125.91 1s78 s THR 178 Ca 0.43 0.69 -0.18 0.00 0.31 0.00 0.00 61.69 62.94 1s78 s THR 178 Cb -0.01 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1s78 s THR 178 CO -0.05 -0.54 0.50 -0.22 -0.69 0.00 0.00 174.62 173.62 1s78 s LEU 179 N 6.13 4.06 -0.10 4.42 0.20 -0.06 -3.62 118.68 129.71 1s78 s LEU 179 Ca 0.72 0.52 0.03 0.00 0.69 0.00 0.00 54.13 56.09 1s78 s LEU 179 Cb -0.19 -2.65 -0.01 0.00 -0.43 0.00 0.00 46.19 42.91 1s78 s LEU 179 CO 0.33 -0.26 -0.20 -0.89 -0.29 0.00 0.00 176.35 175.03 1s78 s THR 180 N 2.20 2.40 0.27 3.68 2.01 -1.23 -0.98 115.64 123.98 1s78 s THR 180 Ca 0.21 -0.91 -0.13 0.00 0.31 0.00 0.00 61.69 61.17 1s78 s THR 180 Cb -0.16 -1.94 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1s78 s THR 180 CO 0.09 0.55 0.53 -0.76 -0.69 0.00 0.00 174.62 174.34 1s78 s LEU 181 N 0.19 0.30 0.50 4.42 1.43 -0.69 -4.90 118.68 119.93 1s78 s LEU 181 Ca -0.12 -0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 51.84 1s78 s LEU 181 Cb -0.16 1.93 -0.08 0.00 0.03 0.00 0.00 46.19 47.90 1s78 s LEU 181 CO 0.07 -1.22 0.97 -0.94 0.23 0.00 0.00 176.35 175.45 1s78 s SER 182 N -3.03 6.65 0.27 2.29 1.04 -1.26 0.25 113.70 119.90 1s78 s SER 182 Ca 0.21 1.55 -0.02 0.00 0.48 0.00 0.00 55.95 58.17 1s78 s SER 182 Cb -0.02 -2.50 0.35 0.00 0.10 0.00 0.00 66.02 63.95 1s78 s SER 182 CO 0.10 -0.55 1.81 0.50 0.98 0.00 0.00 173.24 176.08 1s78 h LYS 183 N 1.03 0.90 -0.11 4.02 3.11 -1.75 -1.17 116.57 122.60 1s78 h LYS 183 Ca -0.47 -0.18 -0.03 0.00 -2.81 0.00 0.00 60.65 57.16 1s78 h LYS 183 Cb 1.18 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 32.27 1s78 h LYS 183 CO 0.62 0.79 -0.08 0.00 -2.81 0.00 0.00 179.45 177.97 1s78 h ALA 184 N 1.31 1.67 -0.00 5.00 0.00 -1.94 -0.97 119.26 124.32 1s78 h ALA 184 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1s78 h ALA 184 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1s78 h ALA 184 CO -0.00 0.25 -0.36 -0.25 0.00 0.00 0.00 179.25 178.89 1s78 n ASP 185 N -4.35 0.54 0.00 0.00 9.92 -0.95 -4.17 116.55 117.54 1s78 n ASP 185 Ca -0.01 -0.32 -0.20 0.00 -0.53 0.00 0.00 54.79 53.73 1s78 n ASP 185 Cb 0.21 0.11 -0.14 0.00 -0.64 0.00 0.00 41.12 40.66 1s78 n ASP 185 CO 0.00 0.00 0.00 0.22 0.13 0.00 0.00 177.20 177.55 1s78 h TYR 186 N 0.29 0.37 -0.04 1.24 3.20 0.04 -3.36 116.97 118.73 1s78 h TYR 186 Ca 0.00 -0.27 -0.10 0.00 3.14 0.00 0.00 58.73 61.50 1s78 h TYR 186 Cb 0.49 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 1s78 h TYR 186 CO 0.00 1.39 -0.13 -1.91 -1.64 0.00 0.00 178.16 175.87 1s78 n GLU 187 N -4.13 1.45 0.00 1.82 2.13 -0.82 -3.43 120.64 117.66 1s78 n GLU 187 Ca -0.20 -0.49 0.00 0.00 0.66 0.00 0.00 57.16 57.13 1s78 n GLU 187 Cb 0.80 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 31.07 1s78 n GLU 187 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1s78 n LYS 188 N 1.84 0.11 -3.97 5.31 4.76 -1.26 -5.06 118.16 119.89 1s78 n LYS 188 Ca 0.19 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.51 1s78 n LYS 188 Cb 0.67 -0.01 -0.13 0.00 -1.84 0.00 0.00 35.03 33.72 1s78 n LYS 188 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1s78 s HIS 189 N 0.00 0.22 0.00 2.13 3.76 -1.22 -5.12 115.29 115.06 1s78 s HIS 189 Ca 0.00 -0.21 0.00 0.00 -0.15 0.00 0.00 55.06 54.70 1s78 s HIS 189 Cb 0.00 -0.14 0.00 0.00 1.11 0.00 0.00 32.58 33.55 1s78 s HIS 189 CO 0.00 -0.06 0.03 1.17 -0.85 0.00 0.00 174.74 175.02 1s78 n LYS 190 N 2.49 0.00 -4.17 1.40 4.81 -1.26 -4.91 118.16 116.52 1s78 n LYS 190 Ca -0.17 0.48 -0.34 0.00 -0.87 0.00 0.00 58.31 57.42 1s78 n LYS 190 Cb 0.58 -0.99 -0.15 0.00 0.02 0.00 0.00 35.03 34.49 1s78 n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1s78 s VAL 191 N -1.01 2.82 0.09 3.15 1.01 -1.26 -3.82 120.40 121.38 1s78 s VAL 191 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1s78 s VAL 191 Cb 0.00 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1s78 s VAL 191 CO 0.00 0.48 0.21 -0.31 0.00 0.00 0.00 175.10 175.48 1s78 s TYR 192 N 1.19 3.46 -0.29 5.22 1.51 -1.26 -2.08 117.35 125.09 1s78 s TYR 192 Ca 0.02 0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 56.05 1s78 s TYR 192 Cb -0.14 -1.71 0.15 0.00 -0.11 0.00 0.00 41.96 40.15 1s78 s TYR 192 CO -0.05 0.56 1.13 0.00 -1.11 0.00 0.00 175.55 176.09 1s78 s ALA 193 N -1.56 -2.18 0.10 3.71 0.00 -1.24 -4.39 121.76 116.21 1s78 s ALA 193 Ca 0.34 1.93 0.02 0.00 0.00 0.00 0.00 51.96 54.25 1s78 s ALA 193 Cb -0.12 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 1s78 s ALA 193 CO 0.27 -0.24 0.21 0.00 0.00 0.00 0.00 175.76 176.00 1s78 s GLU 195 N -2.80 2.87 -0.28 0.00 2.02 -1.22 -4.42 118.70 114.86 1s78 s GLU 195 Ca 0.34 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.65 1s78 s GLU 195 Cb -0.12 -2.49 0.06 0.00 0.10 0.00 0.00 34.13 31.67 1s78 s GLU 195 CO 0.27 0.47 -0.05 0.08 0.02 0.00 0.00 175.26 176.05 1s78 s VAL 196 N -0.32 2.60 -0.19 2.63 1.01 -1.14 -3.73 120.40 121.27 1s78 s VAL 196 Ca 0.03 -1.52 -0.15 0.00 0.00 0.00 0.00 61.98 60.34 1s78 s VAL 196 Cb -0.13 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 1s78 s VAL 196 CO 0.03 -0.08 0.34 -0.89 0.00 0.00 0.00 175.10 174.50 1s78 s THR 197 N 1.18 5.25 -0.09 3.92 2.01 -1.01 -3.62 115.64 123.28 1s78 s THR 197 Ca -0.07 0.61 -0.05 0.00 0.31 0.00 0.00 61.69 62.49 1s78 s THR 197 Cb -0.20 -3.68 0.04 0.00 0.01 0.00 0.00 72.50 68.67 1s78 s THR 197 CO -0.03 0.31 0.22 -2.28 -0.69 0.00 0.00 174.62 172.15 1s78 s HIS 198 N 0.95 -0.28 0.64 4.92 5.04 -1.26 -2.83 115.29 122.47 1s78 s HIS 198 Ca 0.17 0.69 0.15 0.00 -1.54 0.00 0.00 55.06 54.54 1s78 s HIS 198 Cb -0.14 0.03 0.70 0.00 0.04 0.00 0.00 32.58 33.21 1s78 s HIS 198 CO 0.06 -0.20 1.35 0.37 -2.34 0.00 0.00 174.74 173.98 1s78 h GLN 199 N 6.93 0.00 0.09 2.88 -0.00 -1.93 0.28 115.11 123.35 1s78 h GLN 199 Ca -0.38 0.00 -0.35 0.00 -0.00 0.00 0.00 58.65 57.92 1s78 h GLN 199 Cb 1.16 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.61 1s78 h GLN 199 CO 0.38 0.00 -1.98 0.41 0.00 0.00 0.00 178.83 177.64 1s78 n GLY 200 N -1.50 -0.64 3.77 2.39 0.00 -1.26 -4.91 105.19 103.03 1s78 n GLY 200 Ca 0.06 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1s78 n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s78 s LEU 201 N -6.78 4.14 -0.02 0.99 1.43 0.99 -4.92 118.68 114.51 1s78 s LEU 201 Ca -0.19 2.41 0.09 0.00 -1.03 0.00 0.00 54.13 55.41 1s78 s LEU 201 Cb 0.07 -4.06 -0.23 0.00 0.03 0.00 0.00 46.19 42.00 1s78 s LEU 201 CO 0.77 -0.80 0.75 -1.28 0.23 0.00 0.00 176.35 176.02 1s78 h SER 202 N 2.46 0.06 -3.71 2.29 0.87 -1.91 -3.43 113.55 110.16 1s78 h SER 202 Ca -0.49 -0.10 -0.49 0.00 -1.23 0.00 0.00 61.79 59.47 1s78 h SER 202 Cb 1.24 -0.02 -0.32 0.00 -0.44 0.00 0.00 62.40 62.87 1s78 h SER 202 CO 0.62 1.09 -0.81 -0.44 -0.53 0.00 0.00 176.83 176.76 1s78 s SER 203 N -6.32 1.66 -0.40 6.23 0.01 -1.26 -5.09 113.70 108.53 1s78 s SER 203 Ca -0.05 -0.27 -0.27 0.00 1.31 0.00 0.00 55.95 56.67 1s78 s SER 203 Cb 0.08 -0.56 -0.06 0.00 0.21 0.00 0.00 66.02 65.69 1s78 s SER 203 CO 0.82 0.08 2.33 -2.16 0.41 0.00 0.00 173.24 174.72 1s78 s PRO 204 N 0.31 2.45 0.65 12.44 0.04 -1.26 -4.93 135.00 144.70 1s78 s PRO 204 Ca -0.07 1.59 -0.03 0.00 0.04 0.00 0.00 61.00 62.53 1s78 s PRO 204 Cb -0.12 -4.51 0.06 0.00 0.04 0.00 0.00 34.50 29.97 1s78 s PRO 204 CO 0.02 -2.88 0.92 0.14 0.04 0.00 0.00 177.00 175.24 1s78 s VAL 205 N 10.84 2.42 0.04 -0.36 -7.23 -1.24 -4.69 120.40 120.17 1s78 s VAL 205 Ca 0.98 -0.46 0.02 0.00 -1.81 0.00 0.00 61.98 60.71 1s78 s VAL 205 Cb -0.22 -2.96 -0.02 0.00 0.56 0.00 0.00 36.38 33.74 1s78 s VAL 205 CO 0.29 0.00 -0.07 -0.89 -0.31 0.00 0.00 175.10 174.11 1s78 s THR 206 N -3.05 0.51 -0.06 5.32 2.01 -1.26 -2.86 115.64 116.24 1s78 s THR 206 Ca 0.60 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1s78 s THR 206 Cb -0.10 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 71.85 1s78 s THR 206 CO 0.42 -0.34 -0.13 -0.54 -0.69 0.00 0.00 174.62 173.35 1s78 s LYS 207 N -1.43 1.73 0.28 4.92 -0.14 -1.26 -5.10 119.74 118.73 1s78 s LYS 207 Ca -0.09 -0.44 -0.09 0.00 -1.36 0.00 0.00 55.97 53.99 1s78 s LYS 207 Cb -0.09 -1.43 -0.07 0.00 -1.68 0.00 0.00 37.83 34.56 1s78 s LYS 207 CO 0.00 0.05 0.59 -1.54 -0.76 0.00 0.00 175.35 173.69 1s78 s SER 208 N 0.59 6.57 -0.17 2.83 1.04 -1.26 -4.75 113.70 118.56 1s78 s SER 208 Ca -0.14 0.91 -0.14 0.00 0.48 0.00 0.00 55.95 57.06 1s78 s SER 208 Cb -0.15 -2.23 0.05 0.00 0.10 0.00 0.00 66.02 63.79 1s78 s SER 208 CO 0.04 -0.16 0.44 0.12 0.98 0.00 0.00 173.24 174.65 1s78 s PHE 209 N -1.98 -0.50 -0.12 5.02 5.36 -1.26 -4.95 117.98 119.56 1s78 s PHE 209 Ca 0.47 1.20 0.02 0.00 -0.96 0.00 0.00 56.93 57.66 1s78 s PHE 209 Cb -0.11 0.18 -0.01 0.00 -0.34 0.00 0.00 43.02 42.75 1s78 s PHE 209 CO 0.25 -0.25 -0.18 1.21 -1.46 0.00 0.00 175.22 174.79 1s78 s ASN 210 N 0.41 3.63 0.45 6.13 3.84 -1.26 -4.33 114.94 123.81 1s78 s ASN 210 Ca -0.01 -0.42 0.25 0.00 0.21 0.00 0.00 52.86 52.88 1s78 s ASN 210 Cb -0.04 -1.53 0.56 0.00 -0.55 0.00 0.00 41.25 39.69 1s78 s ASN 210 CO -0.01 0.16 1.68 -0.09 -2.79 0.00 0.00 177.10 176.05 1s78 h ARG 211 N 6.71 0.00 -0.05 0.43 2.43 -1.94 -3.34 114.38 118.61 1s78 h ARG 211 Ca -0.23 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.79 1s78 h ARG 211 Cb 1.22 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1s78 h ARG 211 CO 0.52 0.04 -0.63 0.78 -1.51 0.00 0.00 179.97 179.18 1s78 h GLY 212 N 3.49 0.22 -5.86 2.80 0.00 -1.95 -3.38 103.07 98.39 1s78 h GLY 212 Ca -0.00 -0.28 -0.49 0.00 0.00 0.00 0.00 47.33 46.56 1s78 h GLY 212 CO 0.01 0.25 -1.04 -2.21 0.00 0.00 0.00 176.54 173.54 1s78 n GLU 213 N -3.84 0.80 0.00 4.80 4.07 -1.25 -5.30 120.64 119.91 1s78 n GLU 213 Ca -0.02 -3.06 0.00 0.00 -0.06 0.00 0.00 57.16 54.02 1s78 n GLU 213 Cb 0.63 -1.35 0.00 0.00 -0.06 0.00 0.00 31.44 30.66 1s78 n GLU 213 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07