#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hi1 s ILE 2 N 0.00 3.40 -0.14 -3.67 1.01 -1.26 -5.04 121.20 115.50 3hi1 s ILE 2 Ca 0.00 0.94 0.01 0.00 0.00 0.00 0.00 60.65 61.60 3hi1 s ILE 2 Cb 0.00 -3.42 0.02 0.00 0.01 0.00 0.00 42.46 39.07 3hi1 s ILE 2 CO 0.00 -0.12 -0.15 -0.69 0.00 0.00 0.00 174.94 173.98 3hi1 s VAL 3 N -1.76 1.57 -0.26 2.92 1.01 -1.26 -4.94 120.40 117.68 3hi1 s VAL 3 Ca 0.67 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 3hi1 s VAL 3 Cb -0.23 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 3hi1 s VAL 3 CO 0.27 0.46 0.26 -0.76 0.00 0.00 0.00 175.10 175.32 3hi1 s LEU 4 N 1.36 4.05 -0.22 3.92 1.43 -1.26 -1.35 118.68 126.61 3hi1 s LEU 4 Ca 0.02 0.14 -0.04 0.00 -1.03 0.00 0.00 54.13 53.23 3hi1 s LEU 4 Cb -0.13 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 3hi1 s LEU 4 CO -0.09 -0.07 -0.04 -0.89 0.23 0.00 0.00 176.35 175.49 3hi1 s THR 5 N 1.69 3.37 0.75 5.49 2.01 -0.11 -4.09 115.64 124.75 3hi1 s THR 5 Ca 0.10 -0.49 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 3hi1 s THR 5 Cb -0.15 -2.53 0.14 0.00 0.01 0.00 0.00 72.50 69.96 3hi1 s THR 5 CO 0.09 0.43 1.04 -1.10 -0.69 0.00 0.00 174.62 174.39 3hi1 s GLN 6 N 1.45 1.53 0.00 4.92 -0.21 -1.26 -0.53 119.66 125.56 3hi1 s GLN 6 Ca 0.05 -1.02 0.00 0.00 0.02 0.00 0.00 55.36 54.41 3hi1 s GLN 6 Cb -0.14 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.60 3hi1 s GLN 6 CO -0.03 -1.58 0.00 0.45 -2.12 0.00 0.00 175.29 172.01 3hi1 n SER 7 N -2.96 0.00 -4.46 5.90 2.88 -0.51 -4.72 113.62 109.75 3hi1 n SER 7 Ca 0.15 0.21 -0.33 0.00 -1.33 0.00 0.00 58.87 57.57 3hi1 n SER 7 Cb 0.60 -0.23 -0.13 0.00 -0.75 0.00 0.00 64.21 63.70 3hi1 n SER 7 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3hi1 s PRO 8 N -0.46 2.65 0.14 -1.46 0.04 -1.26 -4.89 135.00 129.76 3hi1 s PRO 8 Ca 0.00 -0.69 -0.24 0.00 0.04 0.00 0.00 61.00 60.10 3hi1 s PRO 8 Cb 0.00 -2.42 0.01 0.00 0.04 0.00 0.00 34.50 32.13 3hi1 s PRO 8 CO 0.00 0.56 1.62 0.78 0.04 0.00 0.00 177.00 179.99 3hi1 h GLY 9 N 5.57 -0.31 -4.46 0.56 0.00 -1.87 -3.41 103.07 99.14 3hi1 h GLY 9 Ca -0.43 0.36 -0.65 0.00 0.00 0.00 0.00 47.33 46.61 3hi1 h GLY 9 CO 0.51 -0.21 -0.87 -1.59 0.00 0.00 0.00 176.54 174.38 3hi1 s THR 10 N -6.03 1.93 -0.05 4.70 2.01 -1.26 -1.70 115.64 115.24 3hi1 s THR 10 Ca -0.15 -1.23 -0.00 0.00 0.31 0.00 0.00 61.69 60.61 3hi1 s THR 10 Cb 0.11 -1.64 0.03 0.00 0.01 0.00 0.00 72.50 71.01 3hi1 s THR 10 CO 0.67 0.36 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.74 3hi1 s LEU 11 N -1.05 0.93 -0.13 4.42 0.20 0.28 -4.94 118.68 118.39 3hi1 s LEU 11 Ca 0.10 -0.05 -0.01 0.00 0.69 0.00 0.00 54.13 54.85 3hi1 s LEU 11 Cb -0.09 -0.32 0.04 0.00 -0.43 0.00 0.00 46.19 45.38 3hi1 s LEU 11 CO 0.01 -0.13 -0.02 -0.55 -0.29 0.00 0.00 176.35 175.37 3hi1 s SER 12 N 1.39 2.28 0.28 3.68 0.15 -1.26 -0.45 113.70 119.77 3hi1 s SER 12 Ca -0.04 -0.42 -0.01 0.00 0.70 0.00 0.00 55.95 56.17 3hi1 s SER 12 Cb -0.13 -0.67 -0.02 0.00 -1.71 0.00 0.00 66.02 63.48 3hi1 s SER 12 CO -0.02 -0.20 0.32 -0.76 1.20 0.00 0.00 173.24 173.78 3hi1 s LEU 13 N 1.81 1.12 0.63 3.45 1.02 -0.70 -4.88 118.68 121.12 3hi1 s LEU 13 Ca 0.03 -1.43 -0.08 0.00 0.02 0.00 0.00 54.13 52.67 3hi1 s LEU 13 Cb -0.14 0.95 0.01 0.00 0.02 0.00 0.00 46.19 47.03 3hi1 s LEU 13 CO -0.07 -1.07 0.96 -0.44 0.02 0.00 0.00 176.35 175.75 3hi1 s SER 14 N -3.21 5.56 0.38 2.29 0.01 -1.26 -0.29 113.70 117.18 3hi1 s SER 14 Ca 0.34 0.86 -0.27 0.00 1.31 0.00 0.00 55.95 58.19 3hi1 s SER 14 Cb 0.03 -1.79 -0.10 0.00 0.21 0.00 0.00 66.02 64.37 3hi1 s SER 14 CO 0.17 -1.14 1.34 0.00 0.41 0.00 0.00 173.24 174.03 3hi1 s ALA 15 N -3.11 3.39 0.00 1.44 0.00 -1.26 -2.86 121.76 119.36 3hi1 s ALA 15 Ca 0.55 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.83 3hi1 s ALA 15 Cb -0.11 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3hi1 s ALA 15 CO 0.47 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.81 3hi1 n GLY 16 N 0.67 3.23 3.80 0.00 0.00 0.14 -4.91 105.19 108.11 3hi1 n GLY 16 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3hi1 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hi1 s GLU 17 N -0.50 1.82 -0.18 1.61 2.02 -1.14 -4.34 118.70 117.99 3hi1 s GLU 17 Ca 0.00 0.56 -0.11 0.00 0.02 0.00 0.00 54.97 55.44 3hi1 s GLU 17 Cb 0.00 -1.89 -0.05 0.00 0.10 0.00 0.00 34.13 32.29 3hi1 s GLU 17 CO 0.00 -1.79 0.18 0.50 0.02 0.00 0.00 175.26 174.17 3hi1 s ARG 18 N -5.18 4.16 -0.14 1.61 3.52 -1.24 -1.11 118.95 120.57 3hi1 s ARG 18 Ca 0.62 -0.12 -0.04 0.00 -0.13 0.00 0.00 55.73 56.06 3hi1 s ARG 18 Cb -0.15 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.81 3hi1 s ARG 18 CO 0.54 0.32 0.00 0.00 -0.81 0.00 0.00 175.30 175.35 3hi1 s ALA 19 N 0.29 3.21 -0.21 6.12 0.00 0.01 -4.98 121.76 126.20 3hi1 s ALA 19 Ca 0.11 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.29 3hi1 s ALA 19 Cb -0.12 -1.64 0.05 0.00 0.00 0.00 0.00 23.12 21.41 3hi1 s ALA 19 CO 0.00 0.32 -0.09 0.99 0.00 0.00 0.00 175.76 176.98 3hi1 s THR 20 N -0.02 1.67 -0.14 0.00 2.01 -1.26 -1.51 115.64 116.38 3hi1 s THR 20 Ca 0.03 -1.11 -0.00 0.00 0.31 0.00 0.00 61.69 60.92 3hi1 s THR 20 Cb -0.13 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 3hi1 s THR 20 CO 0.02 0.10 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.16 3hi1 s LEU 21 N 1.37 2.67 0.32 4.42 1.02 -0.55 -4.87 118.68 123.07 3hi1 s LEU 21 Ca -0.03 -0.36 0.07 0.00 0.02 0.00 0.00 54.13 53.83 3hi1 s LEU 21 Cb -0.17 -1.61 -0.03 0.00 0.02 0.00 0.00 46.19 44.40 3hi1 s LEU 21 CO -0.07 0.14 0.26 -0.94 0.02 0.00 0.00 176.35 175.75 3hi1 s SER 22 N 0.52 5.26 -0.07 2.29 1.04 -1.26 -0.40 113.70 121.08 3hi1 s SER 22 Ca -0.09 -0.49 -0.03 0.00 0.48 0.00 0.00 55.95 55.83 3hi1 s SER 22 Cb -0.16 -1.01 0.04 0.00 0.10 0.00 0.00 66.02 64.99 3hi1 s SER 22 CO 0.04 -0.30 0.13 0.00 0.98 0.00 0.00 173.24 174.09 3hi1 s ARG 24 N 1.86 2.64 0.17 0.00 0.52 0.31 -0.89 118.95 123.55 3hi1 s ARG 24 Ca -0.01 -0.71 -0.13 0.00 -0.52 0.00 0.00 55.73 54.36 3hi1 s ARG 24 Cb -0.12 -2.18 -0.07 0.00 0.52 0.00 0.00 34.95 33.10 3hi1 s ARG 24 CO -0.05 -0.04 0.54 0.00 0.02 0.00 0.00 175.30 175.77 3hi1 s ALA 25 N 0.90 3.58 0.53 2.13 0.00 -0.33 -0.94 121.76 127.63 3hi1 s ALA 25 Ca -0.07 -0.18 0.30 0.00 0.00 0.00 0.00 51.96 52.02 3hi1 s ALA 25 Cb -0.15 -2.49 1.73 0.00 0.00 0.00 0.00 23.12 22.21 3hi1 s ALA 25 CO -0.02 0.47 2.20 0.66 0.00 0.00 0.00 175.76 179.07 3hi1 h SER 26 N 3.28 0.00 -2.93 0.00 4.64 -1.56 -3.45 113.55 113.53 3hi1 h SER 26 Ca -0.48 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.71 3hi1 h SER 26 Cb 1.19 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.25 3hi1 h SER 26 CO 0.67 0.04 -0.11 0.00 -0.87 0.00 0.00 176.83 176.56 3hi1 n GLN 27 N -3.72 0.62 -3.10 4.77 6.02 -1.26 -4.99 117.38 115.73 3hi1 n GLN 27 Ca -0.03 -0.81 -0.38 0.00 -0.01 0.00 0.00 57.00 55.77 3hi1 n GLN 27 Cb 0.14 0.51 -0.06 0.00 1.02 0.00 0.00 30.24 31.84 3hi1 n GLN 27 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3hi1 s SER 27 N -1.58 7.21 -0.00 1.08 0.15 -1.26 -4.50 113.70 114.80 3hi1 s SER 27 Ca 0.06 1.48 0.01 0.00 0.70 0.00 0.00 55.95 58.20 3hi1 s SER 27 Cb 0.00 -2.44 -0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3hi1 s SER 27 CO 0.04 0.18 -0.02 -0.69 1.20 0.00 0.00 173.24 173.95 3hi1 s VAL 28 N -1.23 0.19 0.32 4.45 1.01 0.27 -4.99 120.40 120.41 3hi1 s VAL 28 Ca 0.36 -0.10 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 3hi1 s VAL 28 Cb -0.20 -0.16 -0.09 0.00 0.00 0.00 0.00 36.38 35.92 3hi1 s VAL 28 CO 0.23 0.05 1.12 -0.55 0.00 0.00 0.00 175.10 175.95 3hi1 s SER 29 N -0.05 7.04 0.47 3.32 0.15 -1.26 -3.29 113.70 120.08 3hi1 s SER 29 Ca 0.01 2.28 0.22 0.00 0.70 0.00 0.00 55.95 59.16 3hi1 s SER 29 Cb -0.01 -2.62 1.19 0.00 -1.71 0.00 0.00 66.02 62.87 3hi1 s SER 29 CO -0.00 -0.31 1.99 0.28 1.20 0.00 0.00 173.24 176.40 3hi1 h SER 30 N 3.40 0.00 -0.38 5.45 0.02 -1.92 -2.57 113.55 117.54 3hi1 h SER 30 Ca -0.47 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.59 3hi1 h SER 30 Cb 1.22 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 3hi1 h SER 30 CO 0.65 0.19 0.32 0.03 -1.14 0.00 0.00 176.83 176.88 3hi1 h ARG 31 N 0.00 0.00 -0.02 3.45 3.08 -1.92 -2.72 114.38 116.25 3hi1 h ARG 31 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hi1 h ARG 31 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 3hi1 h ARG 31 CO 0.02 0.00 -0.21 0.66 -1.07 0.00 0.00 179.97 179.38 3hi1 n TYR 32 N -4.13 0.00 -3.47 3.04 4.02 -0.97 -3.85 117.16 111.81 3hi1 n TYR 32 Ca 0.06 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.58 3hi1 n TYR 32 Cb 0.50 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.75 3hi1 n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3hi1 s LEU 33 N -2.03 4.23 0.10 7.72 2.96 -1.10 -2.89 118.68 127.68 3hi1 s LEU 33 Ca 0.21 0.57 0.03 0.00 -0.22 0.00 0.00 54.13 54.71 3hi1 s LEU 33 Cb 0.17 -2.46 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 3hi1 s LEU 33 CO 0.38 0.05 -0.08 0.00 -1.32 0.00 0.00 176.35 175.38 3hi1 s ALA 34 N 0.64 1.05 0.10 5.97 0.00 0.96 -0.34 121.76 130.14 3hi1 s ALA 34 Ca 0.19 -1.27 0.10 0.00 0.00 0.00 0.00 51.96 50.98 3hi1 s ALA 34 Cb -0.14 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3hi1 s ALA 34 CO 0.06 -0.14 -0.26 -1.58 0.00 0.00 0.00 175.76 173.84 3hi1 s TRP 35 N -3.02 2.26 0.04 0.00 0.52 0.60 0.79 118.94 120.13 3hi1 s TRP 35 Ca 0.09 -0.39 0.03 0.00 0.02 0.00 0.00 56.10 55.85 3hi1 s TRP 35 Cb 0.01 -1.27 -0.02 0.00 -1.15 0.00 0.00 33.47 31.04 3hi1 s TRP 35 CO -0.02 0.25 -0.10 0.71 0.02 0.00 0.00 176.95 177.81 3hi1 s TYR 36 N -0.97 0.89 -0.20 -1.98 2.02 0.17 -0.82 117.35 116.45 3hi1 s TYR 36 Ca 0.12 -0.41 -0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3hi1 s TYR 36 Cb -0.10 -0.52 -0.00 0.00 -0.40 0.00 0.00 41.96 40.94 3hi1 s TYR 36 CO 0.04 -0.02 -0.09 -1.14 -1.57 0.00 0.00 175.55 172.78 3hi1 s GLN 37 N -1.36 3.29 -0.32 -0.62 0.74 -0.38 -1.08 119.66 119.92 3hi1 s GLN 37 Ca -0.04 -0.68 -0.02 0.00 0.05 0.00 0.00 55.36 54.67 3hi1 s GLN 37 Cb -0.09 -2.86 0.06 0.00 1.10 0.00 0.00 33.01 31.22 3hi1 s GLN 37 CO 0.01 -0.16 0.04 -1.14 -0.55 0.00 0.00 175.29 173.49 3hi1 s GLN 38 N 1.31 2.35 0.56 1.67 0.74 0.31 -1.08 119.66 125.51 3hi1 s GLN 38 Ca 0.04 -1.36 -0.16 0.00 0.05 0.00 0.00 55.36 53.93 3hi1 s GLN 38 Cb -0.14 -3.25 -0.06 0.00 1.10 0.00 0.00 33.01 30.66 3hi1 s GLN 38 CO -0.05 -0.70 1.02 0.15 -0.55 0.00 0.00 175.29 175.16 3hi1 s LYS 39 N 1.23 3.65 0.21 1.67 1.02 -1.26 -0.88 119.74 125.38 3hi1 s LYS 39 Ca -0.03 1.04 -0.31 0.00 0.02 0.00 0.00 55.97 56.69 3hi1 s LYS 39 Cb -0.20 -2.09 -0.11 0.00 -0.52 0.00 0.00 37.83 34.91 3hi1 s LYS 39 CO -0.02 -0.53 1.61 -2.14 -0.92 0.00 0.00 175.35 173.36 3hi1 s PRO 40 N -4.18 4.18 0.00 -1.68 0.02 -1.26 -2.00 135.00 130.07 3hi1 s PRO 40 Ca 0.60 2.47 0.00 0.00 0.02 0.00 0.00 61.00 64.09 3hi1 s PRO 40 Cb -0.12 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3hi1 s PRO 40 CO 0.36 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.80 3hi1 n GLY 41 N 3.45 1.18 3.58 0.52 0.00 -1.26 -5.03 105.19 107.64 3hi1 n GLY 41 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 3hi1 n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hi1 s GLN 42 N -0.35 1.95 0.69 1.61 -0.21 -0.85 -5.13 119.66 117.37 3hi1 s GLN 42 Ca 0.00 -1.77 -0.14 0.00 0.02 0.00 0.00 55.36 53.47 3hi1 s GLN 42 Cb 0.00 -1.86 0.01 0.00 1.00 0.00 0.00 33.01 32.16 3hi1 s GLN 42 CO 0.00 0.20 1.11 0.00 -2.12 0.00 0.00 175.29 174.48 3hi1 s ALA 43 N -2.52 2.41 0.68 6.09 0.00 -1.26 -4.68 121.76 122.48 3hi1 s ALA 43 Ca 0.33 0.48 -0.17 0.00 0.00 0.00 0.00 51.96 52.61 3hi1 s ALA 43 Cb -0.01 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.81 3hi1 s ALA 43 CO 0.18 -1.40 1.22 -2.14 0.00 0.00 0.00 175.76 173.62 3hi1 s PRO 44 N -4.29 2.46 -0.05 0.00 0.02 -1.26 -4.63 135.00 127.25 3hi1 s PRO 44 Ca 0.66 1.83 0.06 0.00 0.02 0.00 0.00 61.00 63.56 3hi1 s PRO 44 Cb -0.20 -1.86 -0.01 0.00 0.02 0.00 0.00 34.50 32.45 3hi1 s PRO 44 CO 0.45 -1.60 -0.23 0.50 -0.33 0.00 0.00 177.00 175.78 3hi1 s ARG 45 N -3.66 2.36 0.09 5.54 3.52 -0.24 -4.94 118.95 121.62 3hi1 s ARG 45 Ca 0.77 -0.85 -0.31 0.00 -0.13 0.00 0.00 55.73 55.21 3hi1 s ARG 45 Cb -0.31 -2.03 -0.08 0.00 -1.56 0.00 0.00 34.95 30.97 3hi1 s ARG 45 CO 0.41 0.37 1.56 -1.17 -0.81 0.00 0.00 175.30 175.65 3hi1 s LEU 46 N -0.16 4.36 -0.12 -0.88 2.96 -1.26 -1.25 118.68 122.32 3hi1 s LEU 46 Ca -0.03 2.44 -0.13 0.00 -0.22 0.00 0.00 54.13 56.19 3hi1 s LEU 46 Cb -0.13 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.94 3hi1 s LEU 46 CO 0.03 -0.82 -0.27 -0.11 -1.32 0.00 0.00 176.35 173.87 3hi1 n LEU 47 N 4.95 1.71 -4.01 -0.68 7.94 -0.00 -4.75 117.00 122.16 3hi1 n LEU 47 Ca 0.14 0.28 -0.21 0.00 -1.11 0.00 0.00 56.01 55.12 3hi1 n LEU 47 Cb 0.41 -0.64 -0.15 0.00 0.53 0.00 0.00 43.42 43.56 3hi1 n LEU 47 CO 0.61 -0.29 -0.44 -0.63 -1.11 0.00 0.00 177.39 175.53 3hi1 s ILE 48 N -2.65 0.81 0.23 1.96 -1.09 -1.04 -1.76 121.20 117.65 3hi1 s ILE 48 Ca -0.23 -0.38 0.10 0.00 -2.23 0.00 0.00 60.65 57.91 3hi1 s ILE 48 Cb 0.04 -0.72 -0.05 0.00 -1.58 0.00 0.00 42.46 40.15 3hi1 s ILE 48 CO 0.33 0.25 -0.18 -0.72 -1.23 0.00 0.00 174.94 173.40 3hi1 s TYR 49 N 0.19 1.98 -1.46 3.97 1.13 0.52 -0.29 117.35 123.40 3hi1 s TYR 49 Ca -0.03 -0.45 -0.09 0.00 -1.41 0.00 0.00 57.07 55.08 3hi1 s TYR 49 Cb -0.09 -0.91 0.04 0.00 -1.10 0.00 0.00 41.96 39.90 3hi1 s TYR 49 CO 0.01 0.50 0.90 0.41 -2.51 0.00 0.00 175.55 174.85 3hi1 n GLY 50 N -0.32 -0.52 5.00 5.49 0.00 -0.84 -0.89 105.19 113.11 3hi1 n GLY 50 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3hi1 n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hi1 n ALA 51 N -4.37 0.00 -0.50 4.61 0.00 0.54 -3.85 120.51 116.94 3hi1 n ALA 51 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hi1 n ALA 51 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3hi1 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hi1 n SER 52 N 2.15 0.66 -4.65 0.00 3.41 -1.23 -3.12 113.62 110.84 3hi1 n SER 52 Ca 0.00 -1.16 -0.41 0.00 -0.26 0.00 0.00 58.87 57.04 3hi1 n SER 52 Cb 0.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 63.90 3hi1 n SER 52 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hi1 s SER 53 N -0.16 6.72 -0.05 4.04 0.01 -0.07 -4.43 113.70 119.76 3hi1 s SER 53 Ca 0.00 0.88 -0.30 0.00 1.31 0.00 0.00 55.95 57.84 3hi1 s SER 53 Cb 0.00 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.82 3hi1 s SER 53 CO 0.00 -0.36 1.25 -0.60 0.41 0.00 0.00 173.24 173.94 3hi1 s ARG 54 N 2.25 4.33 0.67 12.44 3.52 -1.26 -0.35 118.95 140.55 3hi1 s ARG 54 Ca 0.30 1.74 -0.17 0.00 -0.13 0.00 0.00 55.73 57.47 3hi1 s ARG 54 Cb -0.16 -3.57 -0.01 0.00 -1.56 0.00 0.00 34.95 29.66 3hi1 s ARG 54 CO 0.10 -0.48 1.13 0.00 -0.81 0.00 0.00 175.30 175.23 3hi1 n ALA 55 N 5.29 0.52 -1.76 6.12 0.00 -0.72 -4.90 120.51 125.05 3hi1 n ALA 55 Ca 0.12 -0.07 -0.37 0.00 0.00 0.00 0.00 53.44 53.12 3hi1 n ALA 55 Cb 0.46 -2.22 0.02 0.00 0.00 0.00 0.00 19.45 17.70 3hi1 n ALA 55 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hi1 s THR 56 N -1.57 2.70 0.00 0.00 -4.23 -1.26 -2.65 115.64 108.64 3hi1 s THR 56 Ca 0.79 0.49 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 3hi1 s THR 56 Cb -0.37 -3.23 0.00 0.00 1.34 0.00 0.00 72.50 70.24 3hi1 s THR 56 CO 0.45 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 3hi1 n GLY 57 N 0.52 2.96 3.70 3.99 0.00 -1.26 -4.99 105.19 110.10 3hi1 n GLY 57 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 3hi1 n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hi1 s ILE 58 N -1.92 4.47 0.22 -0.61 -1.09 -1.08 -4.99 121.20 116.20 3hi1 s ILE 58 Ca 0.00 1.77 -0.32 0.00 -2.23 0.00 0.00 60.65 59.87 3hi1 s ILE 58 Cb 0.00 -4.14 -0.14 0.00 -1.58 0.00 0.00 42.46 36.60 3hi1 s ILE 58 CO 0.00 0.08 1.35 -2.65 -1.23 0.00 0.00 174.94 172.48 3hi1 n PRO 59 N 4.46 1.81 0.00 2.79 -0.02 -1.26 -4.87 135.00 137.90 3hi1 n PRO 59 Ca 0.09 0.64 0.08 0.00 -2.02 0.00 0.00 63.50 62.29 3hi1 n PRO 59 Cb 0.48 -2.26 0.47 0.00 -0.02 0.00 0.00 33.50 32.17 3hi1 n PRO 59 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hi1 n ASP 60 N 2.15 0.00 0.00 2.55 5.68 -1.26 -2.40 116.55 123.27 3hi1 n ASP 60 Ca 0.13 -0.85 0.12 0.00 -0.50 0.00 0.00 54.79 53.69 3hi1 n ASP 60 Cb 0.30 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.01 3hi1 n ASP 60 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3hi1 n ARG 61 N -0.87 0.85 -4.01 0.11 1.85 -1.26 -4.65 116.66 108.68 3hi1 n ARG 61 Ca 0.12 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.61 3hi1 n ARG 61 Cb 0.05 -1.45 -0.07 0.00 -1.05 0.00 0.00 32.46 29.94 3hi1 n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3hi1 s PHE 62 N -2.00 3.43 0.01 2.89 0.08 -1.01 -1.50 117.98 119.88 3hi1 s PHE 62 Ca 0.37 0.37 -0.09 0.00 0.12 0.00 0.00 56.93 57.71 3hi1 s PHE 62 Cb 0.17 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 3hi1 s PHE 62 CO 0.29 0.57 0.17 -1.54 -0.10 0.00 0.00 175.22 174.61 3hi1 s SER 63 N -0.73 0.01 0.23 1.36 1.04 -0.13 -4.98 113.70 110.49 3hi1 s SER 63 Ca 0.13 -0.22 0.10 0.00 0.48 0.00 0.00 55.95 56.44 3hi1 s SER 63 Cb -0.12 0.24 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 3hi1 s SER 63 CO 0.03 -0.43 -0.10 -0.83 0.98 0.00 0.00 173.24 172.88 3hi1 s GLY 64 N -1.57 1.74 0.22 7.32 0.00 -1.26 -0.72 107.32 113.04 3hi1 s GLY 64 Ca -0.12 -1.64 -0.22 0.00 0.00 0.00 0.00 44.72 42.73 3hi1 s GLY 64 CO 0.01 -1.70 0.90 -1.35 0.00 0.00 0.00 173.10 170.96 3hi1 s SER 65 N -3.25 -0.14 0.00 1.64 1.04 -0.56 -4.48 113.70 107.95 3hi1 s SER 65 Ca 0.28 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3hi1 s SER 65 Cb -0.07 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.64 3hi1 s SER 65 CO 0.16 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.88 3hi1 n GLY 66 N -0.52 0.39 3.84 7.32 0.00 -1.26 -1.14 105.19 113.82 3hi1 n GLY 66 Ca -0.05 -1.87 -0.02 0.00 0.00 0.00 0.00 46.02 44.07 3hi1 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hi1 s SER 67 N -1.30 -0.04 0.00 1.61 1.04 -0.75 -4.89 113.70 109.37 3hi1 s SER 67 Ca 0.00 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3hi1 s SER 67 Cb 0.00 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3hi1 s SER 67 CO 0.00 -0.83 0.00 0.61 0.98 0.00 0.00 173.24 174.00 3hi1 n GLY 68 N -0.65 1.66 0.00 7.32 0.00 -1.21 -2.83 105.19 109.48 3hi1 n GLY 68 Ca -0.04 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3hi1 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hi1 n THR 69 N 0.00 0.00 -4.19 2.61 -2.24 -1.26 0.95 114.28 110.15 3hi1 n THR 69 Ca 0.00 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.44 3hi1 n THR 69 Cb 0.00 -0.76 -0.13 0.00 -2.10 0.00 0.00 70.33 67.35 3hi1 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3hi1 s ASP 70 N -2.64 4.77 0.08 3.42 1.11 -1.13 -1.19 116.67 121.09 3hi1 s ASP 70 Ca 0.00 -0.19 0.04 0.00 0.18 0.00 0.00 52.55 52.58 3hi1 s ASP 70 Cb 0.00 -1.80 -0.03 0.00 1.07 0.00 0.00 42.92 42.16 3hi1 s ASP 70 CO 0.00 0.10 -0.12 -0.36 1.18 0.00 0.00 175.17 175.96 3hi1 s PHE 71 N 0.80 1.11 -0.04 4.23 0.40 -0.07 -1.81 117.98 122.61 3hi1 s PHE 71 Ca -0.00 -0.51 -0.00 0.00 -0.60 0.00 0.00 56.93 55.81 3hi1 s PHE 71 Cb -0.14 -0.62 0.03 0.00 0.51 0.00 0.00 43.02 42.79 3hi1 s PHE 71 CO 0.02 0.03 0.01 0.99 0.70 0.00 0.00 175.22 176.97 3hi1 s THR 72 N -1.59 0.14 -0.08 0.64 2.01 -0.29 0.12 115.64 116.59 3hi1 s THR 72 Ca -0.01 0.15 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 3hi1 s THR 72 Cb -0.08 -0.27 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 3hi1 s THR 72 CO 0.02 0.16 0.38 -0.22 -0.69 0.00 0.00 174.62 174.26 3hi1 s LEU 73 N 1.31 4.35 -0.05 4.42 2.96 0.46 -1.49 118.68 130.64 3hi1 s LEU 73 Ca -0.06 0.77 0.02 0.00 -0.22 0.00 0.00 54.13 54.64 3hi1 s LEU 73 Cb -0.13 -2.52 0.02 0.00 0.50 0.00 0.00 46.19 44.05 3hi1 s LEU 73 CO -0.02 0.18 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.22 3hi1 s THR 74 N -0.20 0.81 -0.28 3.68 2.01 0.10 -1.48 115.64 120.29 3hi1 s THR 74 Ca 0.22 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.88 3hi1 s THR 74 Cb -0.15 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.59 3hi1 s THR 74 CO 0.09 0.29 0.03 -0.63 -0.69 0.00 0.00 174.62 173.71 3hi1 s ILE 75 N 0.80 3.60 0.02 1.82 1.01 -0.57 -0.96 121.20 126.93 3hi1 s ILE 75 Ca -0.13 -0.81 -0.24 0.00 0.00 0.00 0.00 60.65 59.47 3hi1 s ILE 75 Cb -0.15 -2.85 -0.17 0.00 0.01 0.00 0.00 42.46 39.30 3hi1 s ILE 75 CO 0.02 0.11 1.42 0.77 0.00 0.00 0.00 174.94 177.26 3hi1 h SER 76 N 8.16 0.09 -3.43 3.58 4.64 -1.56 0.06 113.55 125.09 3hi1 h SER 76 Ca -0.32 -0.35 -0.61 0.00 -0.47 0.00 0.00 61.79 60.05 3hi1 h SER 76 Cb 1.12 -0.03 -0.40 0.00 -0.31 0.00 0.00 62.40 62.78 3hi1 h SER 76 CO 0.59 0.42 -0.74 -0.60 -0.87 0.00 0.00 176.83 175.63 3hi1 s ARG 77 N -4.81 1.14 0.32 4.77 3.52 -1.26 -3.66 118.95 118.98 3hi1 s ARG 77 Ca -0.15 -1.74 -0.29 0.00 -0.13 0.00 0.00 55.73 53.42 3hi1 s ARG 77 Cb 0.04 -2.30 -0.12 0.00 -1.56 0.00 0.00 34.95 31.00 3hi1 s ARG 77 CO 0.69 -1.10 1.41 0.28 -0.81 0.00 0.00 175.30 175.77 3hi1 n VAL 78 N 3.95 1.65 -4.15 7.11 0.31 -0.27 -4.66 118.33 122.28 3hi1 n VAL 78 Ca 0.05 -0.41 -0.23 0.00 -0.01 0.00 0.00 64.34 63.74 3hi1 n VAL 78 Cb 0.37 -1.71 -0.06 0.00 -0.91 0.00 0.00 33.84 31.52 3hi1 n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3hi1 s GLU 79 N -1.44 2.39 0.40 5.55 0.41 -1.26 -0.68 118.70 124.07 3hi1 s GLU 79 Ca 0.59 -1.48 0.07 0.00 -0.41 0.00 0.00 54.97 53.74 3hi1 s GLU 79 Cb -0.55 -2.20 0.84 0.00 -1.78 0.00 0.00 34.13 30.44 3hi1 s GLU 79 CO 0.58 0.20 2.03 -1.35 -0.49 0.00 0.00 175.26 176.23 3hi1 h PRO 80 N 1.63 0.50 -0.69 0.39 0.11 -1.87 -2.03 132.00 130.05 3hi1 h PRO 80 Ca -0.44 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hi1 h PRO 80 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3hi1 h PRO 80 CO 0.62 0.37 0.00 -0.85 -0.21 0.00 0.00 178.00 177.93 3hi1 n GLU 81 N -4.44 2.77 0.00 1.05 0.00 -0.75 -3.60 120.64 115.67 3hi1 n GLU 81 Ca 0.02 -2.52 0.06 0.00 0.00 0.00 0.00 57.16 54.72 3hi1 n GLU 81 Cb 0.09 -1.59 0.35 0.00 0.00 0.00 0.00 31.44 30.29 3hi1 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3hi1 n ASP 82 N 1.44 0.00 -4.61 -1.84 8.00 -0.76 -4.76 116.55 114.02 3hi1 n ASP 82 Ca 0.23 -1.45 -0.43 0.00 0.71 0.00 0.00 54.79 53.86 3hi1 n ASP 82 Cb 0.63 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.70 3hi1 n ASP 82 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3hi1 s PHE 83 N -2.00 1.70 0.13 1.24 5.36 -1.24 -4.90 117.98 118.27 3hi1 s PHE 83 Ca 0.18 0.51 -0.25 0.00 -0.96 0.00 0.00 56.93 56.41 3hi1 s PHE 83 Cb 0.08 -4.06 0.08 0.00 -0.34 0.00 0.00 43.02 38.78 3hi1 s PHE 83 CO 0.14 -3.38 1.06 0.00 -1.46 0.00 0.00 175.22 171.58 3hi1 s ALA 84 N 6.66 -1.78 -0.02 11.12 0.00 -1.23 -4.67 121.76 131.84 3hi1 s ALA 84 Ca 0.83 0.06 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 3hi1 s ALA 84 Cb -0.27 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.45 3hi1 s ALA 84 CO 0.34 -1.06 0.23 0.08 0.00 0.00 0.00 175.76 175.34 3hi1 s VAL 85 N -2.69 5.37 -0.14 0.00 1.01 -0.06 -1.24 120.40 122.65 3hi1 s VAL 85 Ca 0.17 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.29 3hi1 s VAL 85 Cb -0.01 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 32.86 3hi1 s VAL 85 CO 0.02 0.42 -0.16 -0.31 0.00 0.00 0.00 175.10 175.07 3hi1 s TYR 86 N -1.24 2.22 -0.10 5.22 1.51 -0.27 -0.53 117.35 124.16 3hi1 s TYR 86 Ca 0.25 -1.18 0.01 0.00 -1.01 0.00 0.00 57.07 55.14 3hi1 s TYR 86 Cb -0.13 -1.60 -0.02 0.00 -0.11 0.00 0.00 41.96 40.11 3hi1 s TYR 86 CO 0.14 -0.61 -0.15 0.71 -1.11 0.00 0.00 175.55 174.53 3hi1 s TYR 87 N 1.22 2.75 0.12 2.71 2.02 -0.24 -1.13 117.35 124.79 3hi1 s TYR 87 Ca -0.00 -0.56 -0.09 0.00 -0.37 0.00 0.00 57.07 56.05 3hi1 s TYR 87 Cb -0.14 -1.77 -0.06 0.00 -0.40 0.00 0.00 41.96 39.59 3hi1 s TYR 87 CO -0.07 -0.13 0.43 0.00 -1.57 0.00 0.00 175.55 174.22 3hi1 s GLN 89 N -2.16 0.36 0.04 0.00 -0.44 0.24 -0.82 119.66 116.87 3hi1 s GLN 89 Ca 0.37 -0.60 -0.04 0.00 -2.50 0.00 0.00 55.36 52.59 3hi1 s GLN 89 Cb -0.13 0.14 -0.02 0.00 -1.64 0.00 0.00 33.01 31.35 3hi1 s GLN 89 CO 0.20 -0.07 0.05 1.14 0.50 0.00 0.00 175.29 177.11 3hi1 s GLN 90 N -1.58 0.55 -0.15 1.67 1.03 -0.38 -0.03 119.66 120.77 3hi1 s GLN 90 Ca -0.15 -0.84 0.00 0.00 0.04 0.00 0.00 55.36 54.42 3hi1 s GLN 90 Cb -0.09 0.21 0.02 0.00 0.03 0.00 0.00 33.01 33.18 3hi1 s GLN 90 CO -0.01 -0.12 -0.14 -0.47 -2.54 0.00 0.00 175.29 172.00 3hi1 s TYR 91 N -2.72 2.24 -0.13 9.60 5.04 -1.14 -1.04 117.35 129.20 3hi1 s TYR 91 Ca -0.04 -1.28 -0.16 0.00 -2.44 0.00 0.00 57.07 53.15 3hi1 s TYR 91 Cb -0.01 -1.63 0.04 0.00 0.35 0.00 0.00 41.96 40.72 3hi1 s TYR 91 CO -0.05 -0.69 0.43 0.34 -1.34 0.00 0.00 175.55 174.24 3hi1 s ASP 92 N 1.46 -0.43 -1.36 4.32 2.15 -0.07 -4.87 116.67 117.89 3hi1 s ASP 92 Ca 0.05 0.74 -0.08 0.00 0.43 0.00 0.00 52.55 53.68 3hi1 s ASP 92 Cb -0.13 0.78 0.02 0.00 -0.30 0.00 0.00 42.92 43.28 3hi1 s ASP 92 CO -0.11 -0.24 1.12 -3.20 -0.17 0.00 0.00 175.17 172.58 3hi1 n ASN 93 N 2.44 -5.41 -0.33 -0.34 5.15 -1.26 -1.32 115.26 114.18 3hi1 n ASN 93 Ca -0.15 -0.59 -0.04 0.00 -0.60 0.00 0.00 54.58 53.19 3hi1 n ASN 93 Cb 0.57 -4.87 -0.02 0.00 -0.53 0.00 0.00 39.78 34.93 3hi1 n ASN 93 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3hi1 n SER 94 N -3.01 -4.70 -3.96 1.20 7.64 -1.26 -4.97 113.62 104.55 3hi1 n SER 94 Ca -0.04 0.11 -0.17 0.00 1.01 0.00 0.00 58.87 59.78 3hi1 n SER 94 Cb 0.57 -2.59 -0.15 0.00 -1.01 0.00 0.00 64.21 61.04 3hi1 n SER 94 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3hi1 s VAL 95 N -1.77 0.48 -0.28 0.44 1.01 -0.44 -5.13 120.40 114.72 3hi1 s VAL 95 Ca 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 3hi1 s VAL 95 Cb 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 35.99 3hi1 s VAL 95 CO 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 175.10 175.23 3hi1 s THR 97 N 1.33 3.18 0.25 0.00 -4.23 -0.20 -4.96 115.64 111.00 3hi1 s THR 97 Ca -0.01 -1.90 0.11 0.00 -1.18 0.00 0.00 61.69 58.71 3hi1 s THR 97 Cb -0.18 -2.65 -0.05 0.00 1.34 0.00 0.00 72.50 70.97 3hi1 s THR 97 CO -0.02 -0.28 -0.19 -0.36 -0.54 0.00 0.00 174.62 173.23 3hi1 s PHE 98 N -2.12 2.35 0.94 3.99 0.40 -1.26 -1.25 117.98 121.02 3hi1 s PHE 98 Ca 0.29 -0.32 -0.14 0.00 -0.60 0.00 0.00 56.93 56.16 3hi1 s PHE 98 Cb -0.07 -1.07 0.16 0.00 0.51 0.00 0.00 43.02 42.55 3hi1 s PHE 98 CO 0.17 0.64 1.17 0.20 0.70 0.00 0.00 175.22 178.10 3hi1 s GLY 99 N -3.24 1.61 0.00 4.36 0.00 -0.00 -4.50 107.32 105.54 3hi1 s GLY 99 Ca 0.27 -0.70 0.25 0.00 0.00 0.00 0.00 44.72 44.55 3hi1 s GLY 99 CO 0.14 -0.08 1.85 -1.06 0.00 0.00 0.00 173.10 173.95 3hi1 n GLN 100 N -3.82 0.37 0.00 2.90 3.00 -1.26 -4.79 117.38 113.78 3hi1 n GLN 100 Ca 0.09 0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.12 3hi1 n GLN 100 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.34 3hi1 n GLN 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hi1 n GLY 101 N 0.86 0.38 3.00 1.08 0.00 -1.26 -4.99 105.19 104.26 3hi1 n GLY 101 Ca 0.12 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.11 3hi1 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hi1 s THR 102 N -2.93 1.47 -0.16 2.61 2.01 -0.29 -4.80 115.64 113.56 3hi1 s THR 102 Ca 0.00 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.14 3hi1 s THR 102 Cb 0.00 -1.40 -0.00 0.00 0.01 0.00 0.00 72.50 71.11 3hi1 s THR 102 CO 0.00 0.44 1.04 -0.75 -0.69 0.00 0.00 174.62 174.66 3hi1 s LYS 103 N 1.52 4.34 -0.29 4.92 2.20 -0.69 -1.12 119.74 130.62 3hi1 s LYS 103 Ca 0.05 1.40 -0.12 0.00 -0.36 0.00 0.00 55.97 56.94 3hi1 s LYS 103 Cb -0.13 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 3hi1 s LYS 103 CO -0.10 -0.48 0.22 -1.17 -0.36 0.00 0.00 175.35 173.46 3hi1 s LEU 104 N 2.63 4.11 0.06 5.43 2.96 -0.37 -0.56 118.68 132.95 3hi1 s LEU 104 Ca 0.47 -0.05 0.05 0.00 -0.22 0.00 0.00 54.13 54.37 3hi1 s LEU 104 Cb -0.17 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 3hi1 s LEU 104 CO 0.12 -0.10 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.38 3hi1 s GLU 105 N 1.79 2.38 -0.14 1.98 2.02 0.40 -3.56 118.70 123.58 3hi1 s GLU 105 Ca 0.08 -0.87 -0.05 0.00 0.02 0.00 0.00 54.97 54.14 3hi1 s GLU 105 Cb -0.16 -2.43 -0.04 0.00 0.10 0.00 0.00 34.13 31.60 3hi1 s GLU 105 CO 0.11 0.55 0.05 0.42 0.02 0.00 0.00 175.26 176.41 3hi1 s ILE 106 N -1.16 4.73 -0.01 -1.63 -1.09 -1.26 -1.73 121.20 119.05 3hi1 s ILE 106 Ca 0.21 -0.07 -0.10 0.00 -2.23 0.00 0.00 60.65 58.45 3hi1 s ILE 106 Cb -0.11 -3.07 -0.05 0.00 -1.58 0.00 0.00 42.46 37.65 3hi1 s ILE 106 CO 0.13 0.54 0.32 -0.54 -1.23 0.00 0.00 174.94 174.15 3hi1 s LYS 107 N -0.28 3.71 0.29 2.79 1.02 0.60 -4.89 119.74 122.98 3hi1 s LYS 107 Ca 0.08 0.14 -0.03 0.00 0.02 0.00 0.00 55.97 56.18 3hi1 s LYS 107 Cb -0.12 -3.14 0.01 0.00 -0.52 0.00 0.00 37.83 34.06 3hi1 s LYS 107 CO 0.02 0.68 0.43 2.89 -0.92 0.00 0.00 175.35 178.45 3hi1 n ARG 108 N 1.53 0.63 -2.44 1.68 1.85 -1.26 -4.12 116.66 114.53 3hi1 n ARG 108 Ca -0.14 -2.19 -0.33 0.00 -1.00 0.00 0.00 57.85 54.19 3hi1 n ARG 108 Cb 0.53 2.19 -0.03 0.00 -1.05 0.00 0.00 32.46 34.11 3hi1 n ARG 108 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3hi1 s THR 109 N -2.67 3.93 0.32 8.89 -4.23 -1.26 -4.98 115.64 115.63 3hi1 s THR 109 Ca 0.22 1.10 -0.29 0.00 -1.18 0.00 0.00 61.69 61.54 3hi1 s THR 109 Cb -0.01 -3.47 -0.11 0.00 1.34 0.00 0.00 72.50 70.24 3hi1 s THR 109 CO 0.16 -0.36 1.57 -0.69 -0.54 0.00 0.00 174.62 174.76 3hi1 s VAL 110 N -2.18 2.04 -0.04 2.29 1.01 -1.26 -4.83 120.40 117.44 3hi1 s VAL 110 Ca 0.65 0.04 0.01 0.00 0.00 0.00 0.00 61.98 62.68 3hi1 s VAL 110 Cb -0.15 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.23 3hi1 s VAL 110 CO 0.24 0.01 -0.04 0.00 0.00 0.00 0.00 175.10 175.31 3hi1 s ALA 111 N -0.31 0.62 0.19 5.51 0.00 0.11 -4.93 121.76 122.96 3hi1 s ALA 111 Ca 0.60 -0.06 -0.25 0.00 0.00 0.00 0.00 51.96 52.25 3hi1 s ALA 111 Cb -0.48 -0.36 -0.08 0.00 0.00 0.00 0.00 23.12 22.20 3hi1 s ALA 111 CO 0.52 0.01 0.81 0.00 0.00 0.00 0.00 175.76 177.10 3hi1 s ALA 112 N 0.74 3.42 0.65 0.00 0.00 -1.26 -0.63 121.76 124.68 3hi1 s ALA 112 Ca -0.10 0.39 -0.14 0.00 0.00 0.00 0.00 51.96 52.11 3hi1 s ALA 112 Cb -0.13 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 3hi1 s ALA 112 CO 0.00 0.28 1.08 -1.25 0.00 0.00 0.00 175.76 175.87 3hi1 s PRO 113 N -1.29 2.97 -0.25 0.00 0.04 -1.26 -4.65 135.00 130.55 3hi1 s PRO 113 Ca 0.38 1.24 -0.10 0.00 0.04 0.00 0.00 61.00 62.57 3hi1 s PRO 113 Cb -0.23 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 3hi1 s PRO 113 CO 0.26 -1.10 0.14 -1.12 0.04 0.00 0.00 177.00 175.23 3hi1 s SER 114 N -2.89 5.79 -0.12 6.66 0.01 -0.84 -4.82 113.70 117.49 3hi1 s SER 114 Ca 0.64 -0.02 -0.07 0.00 1.31 0.00 0.00 55.95 57.81 3hi1 s SER 114 Cb -0.18 -2.05 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 3hi1 s SER 114 CO 0.43 0.01 0.14 -0.69 0.41 0.00 0.00 173.24 173.53 3hi1 s VAL 115 N 1.40 5.50 0.03 3.43 1.01 -1.26 -1.34 120.40 129.18 3hi1 s VAL 115 Ca 0.07 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.25 3hi1 s VAL 115 Cb -0.15 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 3hi1 s VAL 115 CO 0.07 0.61 -0.05 -0.36 0.00 0.00 0.00 175.10 175.37 3hi1 s PHE 116 N -1.04 0.46 0.05 5.22 0.40 -0.55 -4.99 117.98 117.53 3hi1 s PHE 116 Ca 0.15 -0.54 0.07 0.00 -0.60 0.00 0.00 56.93 56.01 3hi1 s PHE 116 Cb -0.12 -0.29 -0.03 0.00 0.51 0.00 0.00 43.02 43.09 3hi1 s PHE 116 CO 0.04 -0.15 -0.19 -1.50 0.70 0.00 0.00 175.22 174.12 3hi1 s ILE 117 N -1.52 1.55 -0.08 0.64 2.07 -1.26 -0.48 121.20 122.11 3hi1 s ILE 117 Ca -0.12 -1.18 0.01 0.00 -1.41 0.00 0.00 60.65 57.95 3hi1 s ILE 117 Cb -0.09 -1.36 0.02 0.00 0.13 0.00 0.00 42.46 41.15 3hi1 s ILE 117 CO -0.01 0.14 -0.11 -0.36 -1.91 0.00 0.00 174.94 172.69 3hi1 s PHE 118 N -0.84 1.51 0.59 3.50 0.08 0.81 -4.99 117.98 118.63 3hi1 s PHE 118 Ca 0.06 -0.64 -0.14 0.00 0.12 0.00 0.00 56.93 56.33 3hi1 s PHE 118 Cb -0.09 -1.15 -0.04 0.00 -0.57 0.00 0.00 43.02 41.17 3hi1 s PHE 118 CO 0.02 -0.37 1.03 -2.14 -0.10 0.00 0.00 175.22 173.66 3hi1 s PRO 119 N 1.02 3.52 0.45 0.24 0.02 -1.26 -1.95 135.00 137.04 3hi1 s PRO 119 Ca -0.08 1.00 -0.25 0.00 0.02 0.00 0.00 61.00 61.70 3hi1 s PRO 119 Cb -0.15 -2.07 -0.08 0.00 0.02 0.00 0.00 34.50 32.23 3hi1 s PRO 119 CO -0.01 -0.63 1.30 -1.25 -0.33 0.00 0.00 177.00 176.08 3hi1 s PRO 120 N -4.42 3.74 0.68 5.54 0.04 -1.19 -4.88 135.00 134.51 3hi1 s PRO 120 Ca 0.60 2.13 -0.14 0.00 0.04 0.00 0.00 61.00 63.63 3hi1 s PRO 120 Cb -0.13 -2.58 0.01 0.00 0.04 0.00 0.00 34.50 31.84 3hi1 s PRO 120 CO 0.41 -0.67 1.09 -1.54 0.04 0.00 0.00 177.00 176.32 3hi1 s SER 121 N -0.87 5.12 0.20 6.66 1.04 -1.26 -4.90 113.70 119.69 3hi1 s SER 121 Ca 0.61 1.88 -0.09 0.00 0.48 0.00 0.00 55.95 58.84 3hi1 s SER 121 Cb -0.37 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.34 3hi1 s SER 121 CO 0.47 -1.62 1.76 0.44 0.98 0.00 0.00 173.24 175.26 3hi1 h ASP 122 N -0.25 1.03 -0.74 7.02 3.32 -1.99 -1.83 116.42 122.98 3hi1 h ASP 122 Ca -0.46 -0.18 0.17 0.00 0.02 0.00 0.00 57.03 56.58 3hi1 h ASP 122 Cb 1.23 -0.27 -0.12 0.00 0.22 0.00 0.00 39.33 40.39 3hi1 h ASP 122 CO 0.54 0.94 0.05 -0.08 -1.72 0.00 0.00 179.24 178.97 3hi1 h GLU 123 N 1.07 0.13 0.04 3.56 4.81 -2.01 -2.12 114.58 120.06 3hi1 h GLU 123 Ca 0.24 -0.01 -0.26 0.00 -0.13 0.00 0.00 59.36 59.21 3hi1 h GLU 123 Cb 0.24 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.61 3hi1 h GLU 123 CO -0.02 0.09 -1.08 0.37 -0.73 0.00 0.00 179.01 177.65 3hi1 h GLN 124 N 0.14 0.52 -0.65 1.92 4.15 -1.80 -3.19 115.11 116.20 3hi1 h GLN 124 Ca 0.41 -0.62 0.08 0.00 0.77 0.00 0.00 58.65 59.29 3hi1 h GLN 124 Cb 0.72 0.19 -0.04 0.00 0.21 0.00 0.00 27.48 28.56 3hi1 h GLN 124 CO -0.62 1.24 0.43 -0.07 -1.93 0.00 0.00 178.83 177.88 3hi1 h LEU 125 N 0.27 0.50 -1.86 -2.39 3.38 -0.83 0.45 115.31 114.82 3hi1 h LEU 125 Ca -0.13 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.05 3hi1 h LEU 125 Cb 1.73 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.35 3hi1 h LEU 125 CO 0.20 0.31 0.53 0.50 0.09 0.00 0.00 178.44 180.07 3hi1 h LYS 126 N 0.57 0.12 0.00 1.13 3.64 -1.39 -1.84 116.57 118.79 3hi1 h LYS 126 Ca 0.29 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3hi1 h LYS 126 Cb 0.40 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 3hi1 h LYS 126 CO -0.09 0.08 0.00 0.43 -2.27 0.00 0.00 179.45 177.60 3hi1 n SER 127 N -4.37 0.45 0.00 4.20 7.64 0.16 -4.90 113.62 116.79 3hi1 n SER 127 Ca 0.15 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.58 3hi1 n SER 127 Cb 0.75 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 3hi1 n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hi1 n GLY 128 N 1.25 0.62 3.19 0.23 0.00 -0.69 -5.05 105.19 104.74 3hi1 n GLY 128 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 3hi1 n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hi1 s THR 129 N -2.43 1.20 -0.07 2.61 -4.23 -1.26 -0.87 115.64 110.59 3hi1 s THR 129 Ca 0.00 -1.36 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 3hi1 s THR 129 Cb 0.00 -1.16 0.01 0.00 1.34 0.00 0.00 72.50 72.69 3hi1 s THR 129 CO 0.00 -0.22 -0.17 0.00 -0.54 0.00 0.00 174.62 173.70 3hi1 s ALA 130 N -1.31 1.59 -0.18 3.99 0.00 0.19 -3.88 121.76 122.16 3hi1 s ALA 130 Ca -0.00 -0.64 0.01 0.00 0.00 0.00 0.00 51.96 51.33 3hi1 s ALA 130 Cb -0.10 -0.62 0.02 0.00 0.00 0.00 0.00 23.12 22.42 3hi1 s ALA 130 CO 0.03 0.20 -0.19 -1.12 0.00 0.00 0.00 175.76 174.68 3hi1 s SER 131 N 0.42 3.20 -0.10 0.00 0.01 -1.26 -0.54 113.70 115.43 3hi1 s SER 131 Ca -0.13 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 56.46 3hi1 s SER 131 Cb -0.15 -1.49 -0.04 0.00 0.21 0.00 0.00 66.02 64.55 3hi1 s SER 131 CO 0.05 0.01 0.07 -0.69 0.41 0.00 0.00 173.24 173.08 3hi1 s VAL 132 N 1.25 4.86 -0.04 3.43 1.01 0.63 -3.16 120.40 128.37 3hi1 s VAL 132 Ca 0.04 -0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.02 3hi1 s VAL 132 Cb -0.13 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 3hi1 s VAL 132 CO -0.11 0.61 -0.16 -0.69 0.00 0.00 0.00 175.10 174.75 3hi1 s VAL 133 N -0.94 1.35 -0.13 2.92 1.01 -0.82 -0.76 120.40 123.03 3hi1 s VAL 133 Ca 0.14 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3hi1 s VAL 133 Cb -0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 3hi1 s VAL 133 CO 0.03 0.39 -0.16 0.00 0.00 0.00 0.00 175.10 175.36 3hi1 s LEU 135 N 0.52 2.98 -0.27 0.00 2.96 0.37 -1.02 118.68 124.22 3hi1 s LEU 135 Ca -0.10 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 3hi1 s LEU 135 Cb -0.16 -1.72 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3hi1 s LEU 135 CO 0.04 0.09 0.05 -0.76 -1.32 0.00 0.00 176.35 174.46 3hi1 s LEU 136 N 0.81 3.60 -0.15 -0.68 1.02 0.16 -1.48 118.68 121.96 3hi1 s LEU 136 Ca -0.02 -0.60 -0.04 0.00 0.02 0.00 0.00 54.13 53.49 3hi1 s LEU 136 Cb -0.15 -1.85 -0.03 0.00 0.02 0.00 0.00 46.19 44.18 3hi1 s LEU 136 CO 0.01 -0.14 -0.03 0.21 0.02 0.00 0.00 176.35 176.43 3hi1 s ASN 137 N 1.50 4.88 -0.49 2.29 3.84 -0.45 -0.18 114.94 126.34 3hi1 s ASN 137 Ca 0.03 -0.10 -0.30 0.00 0.21 0.00 0.00 52.86 52.70 3hi1 s ASN 137 Cb -0.16 -1.78 0.04 0.00 -0.55 0.00 0.00 41.25 38.80 3hi1 s ASN 137 CO 0.01 0.18 0.65 0.59 -2.79 0.00 0.00 177.10 175.74 3hi1 n ASN 138 N 3.46 -6.00 -4.31 -4.21 3.02 -0.92 -1.99 115.26 104.31 3hi1 n ASN 138 Ca -0.17 -0.09 -0.16 0.00 -0.03 0.00 0.00 54.58 54.12 3hi1 n ASN 138 Cb 0.52 -2.51 -0.10 0.00 -0.61 0.00 0.00 39.78 37.08 3hi1 n ASN 138 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 3hi1 s PHE 139 N -1.88 1.50 -0.27 3.10 -0.71 0.15 -4.38 117.98 115.48 3hi1 s PHE 139 Ca 0.31 -0.99 -0.25 0.00 -1.04 0.00 0.00 56.93 54.96 3hi1 s PHE 139 Cb -0.04 -0.87 0.10 0.00 -1.21 0.00 0.00 43.02 40.99 3hi1 s PHE 139 CO 0.85 -0.12 0.87 -0.47 -1.34 0.00 0.00 175.22 175.01 3hi1 s TYR 140 N -3.52 -0.63 0.00 3.49 5.04 0.20 -0.48 117.35 121.45 3hi1 s TYR 140 Ca 0.29 1.52 0.00 0.00 -2.44 0.00 0.00 57.07 56.45 3hi1 s TYR 140 Cb 0.06 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.69 3hi1 s TYR 140 CO 0.09 -0.32 0.00 -0.35 -1.34 0.00 0.00 175.55 173.63 3hi1 n PRO 141 N 2.38 0.48 -0.05 4.97 -0.04 -1.26 0.10 135.00 141.57 3hi1 n PRO 141 Ca -0.13 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.19 3hi1 n PRO 141 Cb 0.55 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.00 3hi1 n PRO 141 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3hi1 h ARG 142 N 0.00 0.77 -6.03 0.54 2.43 -1.99 -3.43 114.38 106.67 3hi1 h ARG 142 Ca 0.00 -0.50 -0.55 0.00 -0.81 0.00 0.00 59.98 58.12 3hi1 h ARG 142 Cb 0.00 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3hi1 h ARG 142 CO 0.00 1.13 1.42 -1.21 -1.51 0.00 0.00 179.97 179.80 3hi1 s GLU 143 N -4.05 2.97 0.28 0.20 8.01 -1.26 -4.93 118.70 119.92 3hi1 s GLU 143 Ca -0.10 1.53 0.03 0.00 0.01 0.00 0.00 54.97 56.45 3hi1 s GLU 143 Cb 0.10 -4.35 -0.04 0.00 -4.31 0.00 0.00 34.13 25.54 3hi1 s GLU 143 CO 0.88 -2.29 0.17 0.00 0.01 0.00 0.00 175.26 174.03 3hi1 s ALA 144 N 8.55 1.71 -0.12 5.21 0.00 -1.26 -4.51 121.76 131.33 3hi1 s ALA 144 Ca 0.88 -1.81 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 3hi1 s ALA 144 Cb -0.24 1.28 0.06 0.00 0.00 0.00 0.00 23.12 24.22 3hi1 s ALA 144 CO 0.31 -0.56 0.25 0.21 0.00 0.00 0.00 175.76 175.97 3hi1 s LYS 145 N -3.85 0.15 0.13 0.00 2.20 -0.50 -5.01 119.74 112.87 3hi1 s LYS 145 Ca 0.38 0.66 0.00 0.00 -0.36 0.00 0.00 55.97 56.65 3hi1 s LYS 145 Cb 0.05 -0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 3hi1 s LYS 145 CO 0.18 -0.25 0.29 0.14 -0.36 0.00 0.00 175.35 175.35 3hi1 s VAL 146 N 2.05 5.31 -0.04 4.02 -7.23 -1.26 -0.93 120.40 122.32 3hi1 s VAL 146 Ca -0.02 -0.43 -0.02 0.00 -1.81 0.00 0.00 61.98 59.71 3hi1 s VAL 146 Cb -0.12 -3.69 0.03 0.00 0.56 0.00 0.00 36.38 33.17 3hi1 s VAL 146 CO -0.08 -0.01 0.05 -1.58 -0.31 0.00 0.00 175.10 173.17 3hi1 s GLN 147 N -2.92 -0.05 -0.11 4.82 2.00 0.17 -4.97 119.66 118.60 3hi1 s GLN 147 Ca 0.36 0.33 -0.16 0.00 -2.00 0.00 0.00 55.36 53.90 3hi1 s GLN 147 Cb -0.12 -0.46 -0.05 0.00 0.80 0.00 0.00 33.01 33.18 3hi1 s GLN 147 CO 0.28 -0.29 0.38 -1.58 -0.50 0.00 0.00 175.29 173.58 3hi1 s TRP 148 N 1.91 3.53 -0.11 1.67 0.52 -1.26 0.34 118.94 125.54 3hi1 s TRP 148 Ca 0.02 0.78 0.01 0.00 0.02 0.00 0.00 56.10 56.93 3hi1 s TRP 148 Cb -0.12 -2.40 0.02 0.00 -1.15 0.00 0.00 33.47 29.81 3hi1 s TRP 148 CO -0.03 0.30 -0.13 0.15 0.02 0.00 0.00 176.95 177.26 3hi1 s LYS 149 N 0.21 1.99 -0.29 4.98 1.02 -0.15 -1.29 119.74 126.20 3hi1 s LYS 149 Ca 0.21 -0.47 -0.05 0.00 0.02 0.00 0.00 55.97 55.69 3hi1 s LYS 149 Cb -0.14 -1.78 0.03 0.00 -0.52 0.00 0.00 37.83 35.42 3hi1 s LYS 149 CO 0.08 -0.12 0.04 0.08 -0.92 0.00 0.00 175.35 174.51 3hi1 s VAL 150 N 1.17 3.53 -1.46 3.17 1.01 -0.11 -0.84 120.40 126.87 3hi1 s VAL 150 Ca -0.04 -0.97 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 3hi1 s VAL 150 Cb -0.14 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.41 3hi1 s VAL 150 CO -0.04 0.02 0.88 0.47 0.00 0.00 0.00 175.10 176.43 3hi1 n ASP 151 N 4.77 -3.52 0.00 3.32 8.00 0.80 -1.23 116.55 128.70 3hi1 n ASP 151 Ca -0.14 -0.80 0.00 0.00 0.71 0.00 0.00 54.79 54.56 3hi1 n ASP 151 Cb 0.46 -3.92 0.00 0.00 -0.02 0.00 0.00 41.12 37.65 3hi1 n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hi1 n ASN 152 N -2.91 0.00 -4.67 -2.24 3.02 -1.26 -4.97 115.26 102.22 3hi1 n ASN 152 Ca -0.08 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.06 3hi1 n ASN 152 Cb 0.58 -1.10 -0.04 0.00 -0.61 0.00 0.00 39.78 38.61 3hi1 n ASN 152 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hi1 s ALA 153 N -2.53 3.50 0.21 5.41 0.00 -0.36 -4.99 121.76 123.00 3hi1 s ALA 153 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 3hi1 s ALA 153 Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 3hi1 s ALA 153 CO 0.00 -0.63 1.20 -0.51 0.00 0.00 0.00 175.76 175.81 3hi1 s LEU 154 N 2.10 4.46 0.32 0.00 1.02 -1.26 -0.94 118.68 124.39 3hi1 s LEU 154 Ca 0.40 2.29 -0.00 0.00 0.02 0.00 0.00 54.13 56.83 3hi1 s LEU 154 Cb -0.17 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.39 3hi1 s LEU 154 CO 0.13 -0.35 0.52 -1.10 0.02 0.00 0.00 176.35 175.57 3hi1 s GLN 155 N -0.56 3.51 -0.09 1.70 -1.52 -0.41 -4.95 119.66 117.34 3hi1 s GLN 155 Ca 0.51 -0.30 -0.24 0.00 -1.95 0.00 0.00 55.36 53.38 3hi1 s GLN 155 Cb -0.33 -2.69 0.06 0.00 -0.22 0.00 0.00 33.01 29.82 3hi1 s GLN 155 CO 0.39 0.20 0.57 -1.54 -0.25 0.00 0.00 175.29 174.65 3hi1 s SER 156 N -3.81 -0.54 -1.41 5.90 1.04 -1.26 -4.80 113.70 108.83 3hi1 s SER 156 Ca 0.40 0.69 0.00 0.00 0.48 0.00 0.00 55.95 57.52 3hi1 s SER 156 Cb -0.10 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3hi1 s SER 156 CO 0.34 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.71 3hi1 n GLY 157 N 1.49 -0.28 1.28 7.32 0.00 -1.26 -4.80 105.19 108.93 3hi1 n GLY 157 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.87 3hi1 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3hi1 n ASN 158 N -1.78 0.83 -3.67 1.61 6.94 -1.26 -5.07 115.26 112.85 3hi1 n ASN 158 Ca -0.19 -2.04 -0.14 0.00 -0.02 0.00 0.00 54.58 52.19 3hi1 n ASN 158 Cb 0.63 -0.29 -0.08 0.00 -2.36 0.00 0.00 39.78 37.68 3hi1 n ASN 158 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 3hi1 s SER 159 N -1.83 -0.54 0.27 0.53 1.04 -1.26 -1.95 113.70 109.96 3hi1 s SER 159 Ca 0.27 0.94 0.10 0.00 0.48 0.00 0.00 55.95 57.74 3hi1 s SER 159 Cb 0.31 0.95 -0.05 0.00 0.10 0.00 0.00 66.02 67.33 3hi1 s SER 159 CO -0.13 -0.28 -0.15 -1.10 0.98 0.00 0.00 173.24 172.56 3hi1 s GLN 160 N -0.10 1.60 0.09 4.02 -0.21 -0.97 -4.91 119.66 119.17 3hi1 s GLN 160 Ca -0.03 -1.76 -0.01 0.00 0.02 0.00 0.00 55.36 53.58 3hi1 s GLN 160 Cb -0.03 -1.52 -0.04 0.00 1.00 0.00 0.00 33.01 32.41 3hi1 s GLN 160 CO 0.02 0.22 0.00 -1.83 -2.12 0.00 0.00 175.29 171.59 3hi1 s GLU 161 N -3.59 0.75 -0.04 2.91 -1.05 -1.26 0.36 118.70 116.78 3hi1 s GLU 161 Ca 0.29 -1.32 -0.05 0.00 -0.15 0.00 0.00 54.97 53.74 3hi1 s GLU 161 Cb -0.02 0.21 0.01 0.00 -0.44 0.00 0.00 34.13 33.89 3hi1 s GLU 161 CO 0.13 -0.17 0.13 0.45 0.95 0.00 0.00 175.26 176.75 3hi1 s SER 162 N -2.98 -0.10 0.03 0.83 0.15 -0.19 -4.99 113.70 106.45 3hi1 s SER 162 Ca 0.14 0.16 0.08 0.00 0.70 0.00 0.00 55.95 57.03 3hi1 s SER 162 Cb 0.08 0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 64.63 3hi1 s SER 162 CO -0.05 -0.12 -0.22 -0.69 1.20 0.00 0.00 173.24 173.36 3hi1 s VAL 163 N -0.26 1.80 0.72 4.45 1.01 -1.26 -1.48 120.40 125.38 3hi1 s VAL 163 Ca -0.03 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.64 3hi1 s VAL 163 Cb -0.03 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.83 3hi1 s VAL 163 CO 0.00 0.31 1.08 0.42 0.00 0.00 0.00 175.10 176.92 3hi1 s THR 164 N -0.74 3.60 0.68 3.92 -4.23 -0.40 -5.00 115.64 113.48 3hi1 s THR 164 Ca 0.09 0.52 -0.11 0.00 -1.18 0.00 0.00 61.69 61.01 3hi1 s THR 164 Cb -0.09 -3.42 -0.00 0.00 1.34 0.00 0.00 72.50 70.33 3hi1 s THR 164 CO 0.01 -0.68 1.06 -0.70 -0.54 0.00 0.00 174.62 173.77 3hi1 s GLU 165 N -5.25 3.06 0.35 3.99 2.56 -1.26 -4.61 118.70 117.55 3hi1 s GLU 165 Ca 0.58 0.79 -0.25 0.00 0.00 0.00 0.00 54.97 56.09 3hi1 s GLU 165 Cb -0.12 -2.02 -0.13 0.00 2.00 0.00 0.00 34.13 33.86 3hi1 s GLU 165 CO 0.53 -0.97 0.86 1.04 -0.56 0.00 0.00 175.26 176.16 3hi1 n GLN 166 N -3.02 1.06 -2.08 4.30 6.02 -1.26 -4.74 117.38 117.66 3hi1 n GLN 166 Ca 0.07 0.38 -0.34 0.00 -0.01 0.00 0.00 57.00 57.10 3hi1 n GLN 166 Cb 0.54 -1.76 0.01 0.00 1.02 0.00 0.00 30.24 30.06 3hi1 n GLN 166 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3hi1 s ASP 167 N -0.74 5.63 0.13 1.08 2.15 -0.01 -4.82 116.67 120.10 3hi1 s ASP 167 Ca 0.61 1.99 -0.06 0.00 0.43 0.00 0.00 52.55 55.53 3hi1 s ASP 167 Cb -0.65 -2.56 -0.07 0.00 -0.30 0.00 0.00 42.92 39.35 3hi1 s ASP 167 CO 0.58 -1.27 1.34 0.28 -0.17 0.00 0.00 175.17 175.93 3hi1 h SER 168 N 0.68 0.63 0.05 -0.34 0.02 -1.91 -2.13 113.55 110.55 3hi1 h SER 168 Ca -0.48 -0.46 -0.22 0.00 -0.84 0.00 0.00 61.79 59.79 3hi1 h SER 168 Cb 1.24 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.57 3hi1 h SER 168 CO 0.56 1.24 -1.19 0.11 -1.14 0.00 0.00 176.83 176.41 3hi1 h LYS 169 N 0.32 0.10 -0.00 3.45 1.57 -1.93 -1.99 116.57 118.08 3hi1 h LYS 169 Ca -0.06 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3hi1 h LYS 169 Cb 1.47 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.84 3hi1 h LYS 169 CO 0.15 1.08 -0.05 -0.40 -0.57 0.00 0.00 179.45 179.67 3hi1 n ASP 170 N -4.22 1.02 -2.14 0.86 5.68 -1.26 -4.80 116.55 111.69 3hi1 n ASP 170 Ca -0.27 -1.01 -0.18 0.00 -0.50 0.00 0.00 54.79 52.83 3hi1 n ASP 170 Cb 0.75 0.28 -0.00 0.00 -1.14 0.00 0.00 41.12 41.01 3hi1 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hi1 n SER 171 N -0.14 -5.28 -4.92 -1.12 7.64 -0.80 -4.88 113.62 104.12 3hi1 n SER 171 Ca 0.02 -0.05 -0.21 0.00 1.01 0.00 0.00 58.87 59.63 3hi1 n SER 171 Cb 0.09 -4.32 -0.01 0.00 -1.01 0.00 0.00 64.21 58.97 3hi1 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hi1 s THR 172 N -2.93 2.38 0.18 0.44 -4.23 -1.26 -4.37 115.64 105.85 3hi1 s THR 172 Ca 0.04 -1.28 0.08 0.00 -1.18 0.00 0.00 61.69 59.35 3hi1 s THR 172 Cb -0.02 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 71.12 3hi1 s THR 172 CO 0.05 0.00 -0.02 -0.31 -0.54 0.00 0.00 174.62 173.80 3hi1 s TYR 173 N -2.56 2.80 0.02 3.99 1.51 0.37 -0.83 117.35 122.65 3hi1 s TYR 173 Ca 0.48 -0.16 0.04 0.00 -1.01 0.00 0.00 57.07 56.42 3hi1 s TYR 173 Cb -0.04 -1.35 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 3hi1 s TYR 173 CO 0.29 0.52 -0.11 -1.12 -1.11 0.00 0.00 175.55 174.02 3hi1 s SER 174 N -2.97 1.27 0.03 2.29 0.01 -1.26 0.29 113.70 113.35 3hi1 s SER 174 Ca 0.27 -0.37 0.03 0.00 1.31 0.00 0.00 55.95 57.20 3hi1 s SER 174 Cb -0.09 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.04 3hi1 s SER 174 CO 0.18 0.01 -0.09 -0.22 0.41 0.00 0.00 173.24 173.53 3hi1 s LEU 175 N -0.89 2.16 -0.03 2.44 0.20 0.75 -1.27 118.68 122.04 3hi1 s LEU 175 Ca -0.00 -0.39 0.02 0.00 0.69 0.00 0.00 54.13 54.45 3hi1 s LEU 175 Cb -0.07 -0.36 0.01 0.00 -0.43 0.00 0.00 46.19 45.34 3hi1 s LEU 175 CO 0.01 -0.04 -0.09 -0.94 -0.29 0.00 0.00 176.35 174.99 3hi1 s SER 176 N -1.01 1.26 0.00 3.68 1.04 -0.55 0.37 113.70 118.50 3hi1 s SER 176 Ca -0.02 -0.20 0.06 0.00 0.48 0.00 0.00 55.95 56.27 3hi1 s SER 176 Cb -0.07 -0.38 -0.03 0.00 0.10 0.00 0.00 66.02 65.64 3hi1 s SER 176 CO 0.01 0.06 -0.17 -0.55 0.98 0.00 0.00 173.24 173.56 3hi1 s SER 177 N 0.28 3.87 -0.25 7.02 0.15 -0.18 -1.03 113.70 123.56 3hi1 s SER 177 Ca -0.05 -0.33 0.01 0.00 0.70 0.00 0.00 55.95 56.28 3hi1 s SER 177 Cb -0.10 -0.70 0.06 0.00 -1.71 0.00 0.00 66.02 63.58 3hi1 s SER 177 CO 0.01 0.29 -0.06 -0.89 1.20 0.00 0.00 173.24 173.79 3hi1 s THR 178 N -0.84 1.70 -0.16 6.45 2.01 0.16 -0.99 115.64 123.96 3hi1 s THR 178 Ca 0.13 -1.38 -0.28 0.00 0.31 0.00 0.00 61.69 60.46 3hi1 s THR 178 Cb -0.11 -1.95 -0.00 0.00 0.01 0.00 0.00 72.50 70.45 3hi1 s THR 178 CO 0.03 -0.13 0.98 -0.22 -0.69 0.00 0.00 174.62 174.60 3hi1 s LEU 179 N 1.31 4.18 -0.22 4.42 2.96 0.06 -2.30 118.68 129.08 3hi1 s LEU 179 Ca -0.05 1.40 0.01 0.00 -0.22 0.00 0.00 54.13 55.27 3hi1 s LEU 179 Cb -0.19 -3.48 0.03 0.00 0.50 0.00 0.00 46.19 43.05 3hi1 s LEU 179 CO -0.07 -0.52 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.42 3hi1 s THR 180 N 2.46 2.27 0.30 3.68 2.01 -0.82 -0.27 115.64 125.27 3hi1 s THR 180 Ca 0.45 -1.20 0.10 0.00 0.31 0.00 0.00 61.69 61.35 3hi1 s THR 180 Cb -0.17 -2.13 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 3hi1 s THR 180 CO 0.13 0.27 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.44 3hi1 s LEU 181 N 1.23 2.63 0.27 4.42 1.02 0.30 -4.90 118.68 123.65 3hi1 s LEU 181 Ca -0.01 -1.13 -0.17 0.00 0.02 0.00 0.00 54.13 52.84 3hi1 s LEU 181 Cb -0.16 -0.95 -0.09 0.00 0.02 0.00 0.00 46.19 45.01 3hi1 s LEU 181 CO -0.08 -0.14 0.73 -0.94 0.02 0.00 0.00 176.35 175.93 3hi1 s SER 182 N -3.53 6.92 0.33 2.29 1.04 -1.26 0.55 113.70 120.04 3hi1 s SER 182 Ca 0.30 1.35 0.07 0.00 0.48 0.00 0.00 55.95 58.16 3hi1 s SER 182 Cb -0.00 -2.40 0.93 0.00 0.10 0.00 0.00 66.02 64.66 3hi1 s SER 182 CO 0.14 -0.08 1.57 0.50 0.98 0.00 0.00 173.24 176.36 3hi1 h LYS 183 N 2.87 0.01 0.08 4.02 3.64 -1.28 0.00 116.57 125.91 3hi1 h LYS 183 Ca -0.48 -0.00 0.01 0.00 -1.27 0.00 0.00 60.65 58.91 3hi1 h LYS 183 Cb 1.18 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.98 3hi1 h LYS 183 CO 0.65 0.01 -0.29 0.00 -2.27 0.00 0.00 179.45 177.55 3hi1 h ALA 184 N 1.99 -0.81 -0.55 5.00 0.00 -1.93 -1.79 119.26 121.18 3hi1 h ALA 184 Ca 0.67 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.56 3hi1 h ALA 184 Cb 1.53 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 19.97 3hi1 h ALA 184 CO -0.88 -0.88 0.29 -0.44 0.00 0.00 0.00 179.25 177.35 3hi1 h ASP 185 N -0.42 0.44 -0.73 0.00 3.32 -1.45 -1.85 116.42 115.73 3hi1 h ASP 185 Ca -0.01 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.19 3hi1 h ASP 185 Cb 0.42 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.86 3hi1 h ASP 185 CO -0.15 0.30 0.49 0.22 -1.72 0.00 0.00 179.24 178.38 3hi1 h TYR 186 N 0.57 0.55 -0.38 4.55 3.20 -1.02 -1.70 116.97 122.75 3hi1 h TYR 186 Ca 0.24 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hi1 h TYR 186 Cb 0.12 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.21 3hi1 h TYR 186 CO -0.09 0.23 0.00 0.39 -1.64 0.00 0.00 178.16 177.05 3hi1 n GLU 187 N -4.49 1.90 -0.65 1.82 1.02 -0.69 -3.59 120.64 115.97 3hi1 n GLU 187 Ca 0.13 -1.40 0.02 0.00 -0.02 0.00 0.00 57.16 55.90 3hi1 n GLU 187 Cb 0.45 -1.31 0.20 0.00 -0.02 0.00 0.00 31.44 30.76 3hi1 n GLU 187 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 3hi1 n LYS 188 N 0.63 1.71 -3.70 3.49 2.85 -0.64 -5.00 118.16 117.51 3hi1 n LYS 188 Ca 0.13 -3.20 -0.14 0.00 -1.05 0.00 0.00 58.31 54.05 3hi1 n LYS 188 Cb 0.33 -1.70 -0.08 0.00 -0.65 0.00 0.00 35.03 32.93 3hi1 n LYS 188 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 3hi1 s HIS 189 N -3.21 -0.38 -0.15 5.58 3.76 -1.24 -5.09 115.29 114.57 3hi1 s HIS 189 Ca 0.40 0.77 -0.14 0.00 -0.15 0.00 0.00 55.06 55.94 3hi1 s HIS 189 Cb 0.38 0.18 -0.06 0.00 1.11 0.00 0.00 32.58 34.19 3hi1 s HIS 189 CO -0.03 -0.38 -0.29 1.17 -0.85 0.00 0.00 174.74 174.36 3hi1 n LYS 190 N 1.77 0.44 -2.65 1.40 4.81 -1.26 -4.64 118.16 118.03 3hi1 n LYS 190 Ca -0.18 0.18 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 3hi1 n LYS 190 Cb 0.56 -1.27 -0.02 0.00 0.02 0.00 0.00 35.03 34.32 3hi1 n LYS 190 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3hi1 s VAL 191 N -2.69 4.32 -0.28 3.15 1.01 -1.26 -1.63 120.40 123.02 3hi1 s VAL 191 Ca -0.25 1.25 -0.07 0.00 0.00 0.00 0.00 61.98 62.91 3hi1 s VAL 191 Cb 0.05 -4.53 -0.00 0.00 0.00 0.00 0.00 36.38 31.90 3hi1 s VAL 191 CO 0.36 -0.86 0.08 -0.31 0.00 0.00 0.00 175.10 174.38 3hi1 s TYR 192 N 4.14 3.13 0.04 5.22 1.51 -0.43 -0.14 117.35 130.82 3hi1 s TYR 192 Ca 0.45 -0.79 0.05 0.00 -1.01 0.00 0.00 57.07 55.77 3hi1 s TYR 192 Cb -0.09 -2.26 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 3hi1 s TYR 192 CO 0.27 -0.51 -0.16 0.00 -1.11 0.00 0.00 175.55 174.04 3hi1 s ALA 193 N 1.54 1.33 -0.15 3.71 0.00 -0.02 -1.14 121.76 127.04 3hi1 s ALA 193 Ca 0.04 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3hi1 s ALA 193 Cb -0.17 -0.23 0.02 0.00 0.00 0.00 0.00 23.12 22.74 3hi1 s ALA 193 CO 0.03 0.27 -0.16 0.00 0.00 0.00 0.00 175.76 175.90 3hi1 s GLU 195 N 1.34 3.33 -0.16 0.00 2.12 0.15 -0.79 118.70 124.70 3hi1 s GLU 195 Ca 0.02 -0.70 0.00 0.00 0.36 0.00 0.00 54.97 54.66 3hi1 s GLU 195 Cb -0.13 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.60 3hi1 s GLU 195 CO -0.09 0.12 -0.16 0.08 -0.54 0.00 0.00 175.26 174.67 3hi1 s VAL 196 N 0.59 2.60 -0.18 3.70 1.01 0.77 0.44 120.40 129.33 3hi1 s VAL 196 Ca -0.08 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 3hi1 s VAL 196 Cb -0.16 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 3hi1 s VAL 196 CO 0.03 0.52 -0.01 0.42 0.00 0.00 0.00 175.10 176.05 3hi1 s THR 197 N 0.87 3.98 -0.03 3.92 -4.23 -0.11 -1.54 115.64 118.49 3hi1 s THR 197 Ca -0.04 -0.32 -0.12 0.00 -1.18 0.00 0.00 61.69 60.03 3hi1 s THR 197 Cb -0.15 -2.77 0.02 0.00 1.34 0.00 0.00 72.50 70.94 3hi1 s THR 197 CO -0.01 0.46 0.27 -2.28 -0.54 0.00 0.00 174.62 172.52 3hi1 s HIS 198 N 0.67 -0.17 0.55 3.99 2.46 -1.26 -1.40 115.29 120.13 3hi1 s HIS 198 Ca -0.01 0.31 0.27 0.00 0.47 0.00 0.00 55.06 56.10 3hi1 s HIS 198 Cb -0.14 0.07 1.46 0.00 -0.13 0.00 0.00 32.58 33.84 3hi1 s HIS 198 CO 0.02 -0.32 1.99 0.37 -2.47 0.00 0.00 174.74 174.33 3hi1 h GLN 199 N 4.36 0.00 -0.08 2.88 4.15 -1.94 0.12 115.11 124.61 3hi1 h GLN 199 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.13 3hi1 h GLN 199 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 3hi1 h GLN 199 CO 0.38 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.69 3hi1 n GLY 200 N -1.58 -0.50 3.16 2.39 0.00 -1.26 -4.70 105.19 102.70 3hi1 n GLY 200 Ca 0.09 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 3hi1 n GLY 200 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hi1 s LEU 201 N -1.41 2.77 0.59 0.99 1.43 0.41 -4.46 118.68 118.99 3hi1 s LEU 201 Ca 0.23 -0.82 0.29 0.00 -1.03 0.00 0.00 54.13 52.80 3hi1 s LEU 201 Cb 0.12 -1.58 1.71 0.00 0.03 0.00 0.00 46.19 46.47 3hi1 s LEU 201 CO 0.18 -0.07 2.17 0.77 0.23 0.00 0.00 176.35 179.63 3hi1 h SER 202 N 7.95 0.00 -3.40 2.29 4.64 -1.84 -3.42 113.55 119.78 3hi1 h SER 202 Ca -0.37 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.80 3hi1 h SER 202 Cb 1.11 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.93 3hi1 h SER 202 CO 0.59 0.00 -0.36 -0.55 -0.87 0.00 0.00 176.83 175.63 3hi1 s SER 203 N -6.01 -0.40 0.07 4.97 0.15 -1.26 -5.13 113.70 106.08 3hi1 s SER 203 Ca -0.05 0.72 -0.37 0.00 0.70 0.00 0.00 55.95 56.95 3hi1 s SER 203 Cb 0.15 0.63 -0.18 0.00 -1.71 0.00 0.00 66.02 64.92 3hi1 s SER 203 CO 0.55 -0.17 1.25 -2.65 1.20 0.00 0.00 173.24 173.42 3hi1 n PRO 204 N 3.95 0.81 -3.98 5.44 -0.02 -1.26 -4.96 135.00 134.98 3hi1 n PRO 204 Ca -0.22 0.29 -0.36 0.00 -2.02 0.00 0.00 63.50 61.19 3hi1 n PRO 204 Cb 0.55 -1.88 -0.07 0.00 -0.02 0.00 0.00 33.50 32.08 3hi1 n PRO 204 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hi1 s VAL 205 N 0.30 5.19 -0.14 -1.45 1.01 -0.59 -4.91 120.40 119.80 3hi1 s VAL 205 Ca 0.86 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.93 3hi1 s VAL 205 Cb -1.04 -3.26 0.02 0.00 0.00 0.00 0.00 36.38 32.10 3hi1 s VAL 205 CO 0.50 0.59 -0.14 -0.89 0.00 0.00 0.00 175.10 175.15 3hi1 s THR 206 N -0.75 1.57 0.09 3.92 2.01 -1.26 -0.16 115.64 121.06 3hi1 s THR 206 Ca 0.13 -0.64 0.04 0.00 0.31 0.00 0.00 61.69 61.53 3hi1 s THR 206 Cb -0.12 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.88 3hi1 s THR 206 CO 0.03 0.46 0.02 -0.54 -0.69 0.00 0.00 174.62 173.90 3hi1 s LYS 207 N 1.41 2.65 0.21 4.92 -0.14 0.03 -4.94 119.74 123.88 3hi1 s LYS 207 Ca 0.03 -0.80 -0.21 0.00 -1.36 0.00 0.00 55.97 53.63 3hi1 s LYS 207 Cb -0.13 -2.59 0.07 0.00 -1.68 0.00 0.00 37.83 33.50 3hi1 s LYS 207 CO -0.09 0.54 1.01 -1.54 -0.76 0.00 0.00 175.35 174.51 3hi1 s SER 208 N -2.36 0.00 0.30 2.83 1.04 -1.26 0.85 113.70 115.10 3hi1 s SER 208 Ca 0.27 -0.73 -0.19 0.00 0.48 0.00 0.00 55.95 55.77 3hi1 s SER 208 Cb -0.12 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.59 3hi1 s SER 208 CO 0.19 -1.08 0.81 0.72 0.98 0.00 0.00 173.24 174.86 3hi1 s PHE 209 N -2.19 -0.02 -0.08 5.02 -0.12 -0.29 -5.00 117.98 115.30 3hi1 s PHE 209 Ca 0.21 -0.52 0.03 0.00 -0.05 0.00 0.00 56.93 56.60 3hi1 s PHE 209 Cb -0.03 0.76 -0.02 0.00 -0.63 0.00 0.00 43.02 43.11 3hi1 s PHE 209 CO 0.06 -1.31 -0.18 -0.80 -0.05 0.00 0.00 175.22 172.94 3hi1 s ASN 210 N -3.04 3.67 0.34 1.98 0.01 -1.17 -1.31 114.94 115.42 3hi1 s ASN 210 Ca 0.14 -0.36 -0.28 0.00 -0.71 0.00 0.00 52.86 51.66 3hi1 s ASN 210 Cb -0.05 -1.12 -0.10 0.00 0.41 0.00 0.00 41.25 40.40 3hi1 s ASN 210 CO 0.08 0.25 1.24 -0.60 -1.51 0.00 0.00 177.10 176.56 3hi1 s ARG 211 N -0.15 4.32 0.00 -0.60 3.52 -0.64 -2.71 118.95 122.68 3hi1 s ARG 211 Ca -0.02 2.06 0.00 0.00 -0.13 0.00 0.00 55.73 57.64 3hi1 s ARG 211 Cb -0.14 -2.99 0.00 0.00 -1.56 0.00 0.00 34.95 30.26 3hi1 s ARG 211 CO 0.04 -0.16 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 3hi1 n GLY 212 N 0.83 2.22 0.00 8.12 0.00 -1.26 -4.95 105.19 110.16 3hi1 n GLY 212 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3hi1 n GLY 212 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hi1 n GLU 213 N 0.00 0.82 0.00 1.61 1.02 -1.10 -5.31 120.64 117.68 3hi1 n GLU 213 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3hi1 n GLU 213 Cb 0.00 0.00 0.57 0.00 -0.02 0.00 0.00 31.44 31.99 3hi1 n GLU 213 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31