#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hi1 s VAL 2 N 0.00 4.08 -0.04 5.09 1.01 -1.26 -4.32 120.40 124.95 3hi1 s VAL 2 Ca 0.00 1.49 0.02 0.00 0.00 0.00 0.00 61.98 63.49 3hi1 s VAL 2 Cb 0.00 -3.95 0.01 0.00 0.00 0.00 0.00 36.38 32.44 3hi1 s VAL 2 CO 0.00 0.11 -0.09 -1.10 0.00 0.00 0.00 175.10 174.01 3hi1 s GLN 3 N 1.15 1.15 0.11 2.72 -0.21 0.13 -4.85 119.66 119.86 3hi1 s GLN 3 Ca 0.58 -0.31 0.04 0.00 0.02 0.00 0.00 55.36 55.69 3hi1 s GLN 3 Cb -0.29 -1.04 -0.04 0.00 1.00 0.00 0.00 33.01 32.64 3hi1 s GLN 3 CO 0.29 0.06 0.09 -0.51 -2.12 0.00 0.00 175.29 173.10 3hi1 s LEU 4 N 0.44 3.78 -0.29 2.90 1.43 -1.26 -1.21 118.68 124.47 3hi1 s LEU 4 Ca -0.08 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3hi1 s LEU 4 Cb -0.12 -2.44 0.14 0.00 0.03 0.00 0.00 46.19 43.80 3hi1 s LEU 4 CO 0.01 0.14 0.32 -1.58 0.23 0.00 0.00 176.35 175.48 3hi1 s GLN 5 N -2.60 0.34 0.97 1.70 2.00 -0.45 -4.43 119.66 117.20 3hi1 s GLN 5 Ca 0.30 -0.07 -0.13 0.00 -2.00 0.00 0.00 55.36 53.46 3hi1 s GLN 5 Cb -0.11 -0.57 0.17 0.00 0.80 0.00 0.00 33.01 33.30 3hi1 s GLN 5 CO 0.22 -1.03 1.12 -1.83 -0.50 0.00 0.00 175.29 173.28 3hi1 s GLU 6 N 2.41 0.65 -0.29 1.67 1.03 -1.26 -0.93 118.70 121.98 3hi1 s GLU 6 Ca 0.09 0.33 -0.26 0.00 0.03 0.00 0.00 54.97 55.16 3hi1 s GLU 6 Cb -0.14 -1.78 0.19 0.00 -0.80 0.00 0.00 34.13 31.61 3hi1 s GLU 6 CO -0.32 -2.54 1.42 -1.54 -1.33 0.00 0.00 175.26 170.96 3hi1 s SER 7 N -3.82 -0.04 0.00 0.83 1.04 -0.40 -4.89 113.70 106.42 3hi1 s SER 7 Ca 0.65 0.07 0.00 0.00 0.48 0.00 0.00 55.95 57.15 3hi1 s SER 7 Cb -0.16 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.03 3hi1 s SER 7 CO 0.55 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 175.36 3hi1 n GLY 8 N 1.24 0.54 3.68 7.32 0.00 -1.26 -1.49 105.19 115.22 3hi1 n GLY 8 Ca -0.07 -1.49 -0.45 0.00 0.00 0.00 0.00 46.02 44.01 3hi1 n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hi1 n PRO 9 N -1.36 2.38 0.09 1.61 -0.04 -1.26 -4.88 135.00 131.54 3hi1 n PRO 9 Ca 0.00 0.86 -0.01 0.00 -0.04 0.00 0.00 63.50 64.32 3hi1 n PRO 9 Cb 0.00 -2.69 0.28 0.00 -0.04 0.00 0.00 33.50 31.05 3hi1 n PRO 9 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3hi1 h GLY 10 N 7.34 0.29 -4.81 0.55 0.00 -1.95 -3.45 103.07 101.05 3hi1 h GLY 10 Ca -0.46 -0.23 -0.69 0.00 0.00 0.00 0.00 47.33 45.95 3hi1 h GLY 10 CO 0.92 0.21 -0.84 -2.27 0.00 0.00 0.00 176.54 174.56 3hi1 s LEU 11 N -8.50 2.30 -0.03 3.11 2.96 -1.26 0.55 118.68 117.81 3hi1 s LEU 11 Ca -0.05 -0.38 -0.01 0.00 -0.22 0.00 0.00 54.13 53.47 3hi1 s LEU 11 Cb 0.14 -1.43 0.03 0.00 0.50 0.00 0.00 46.19 45.44 3hi1 s LEU 11 CO 0.76 0.31 0.05 -0.69 -1.32 0.00 0.00 176.35 175.46 3hi1 s VAL 12 N -0.53 -0.07 0.48 1.68 1.01 0.70 -4.92 120.40 118.76 3hi1 s VAL 12 Ca 0.07 0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.08 3hi1 s VAL 12 Cb -0.11 -0.11 -0.08 0.00 0.00 0.00 0.00 36.38 36.08 3hi1 s VAL 12 CO 0.01 0.10 1.07 -0.54 0.00 0.00 0.00 175.10 175.73 3hi1 s LYS 13 N 1.21 3.76 0.44 2.72 1.02 -1.25 -0.50 119.74 127.15 3hi1 s LYS 13 Ca -0.08 1.47 -0.23 0.00 0.02 0.00 0.00 55.97 57.15 3hi1 s LYS 13 Cb -0.13 -2.17 -0.10 0.00 -0.52 0.00 0.00 37.83 34.91 3hi1 s LYS 13 CO -0.03 -0.48 0.89 -2.30 -0.92 0.00 0.00 175.35 172.50 3hi1 n PRO 14 N -0.86 1.10 0.00 -1.68 -0.02 -1.26 -1.97 135.00 130.31 3hi1 n PRO 14 Ca 0.09 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3hi1 n PRO 14 Cb 0.51 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 3hi1 n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hi1 n SER 15 N 0.56 0.00 -4.26 2.55 3.41 0.13 -4.89 113.62 111.13 3hi1 n SER 15 Ca 0.10 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.42 3hi1 n SER 15 Cb 0.40 -0.14 0.17 0.00 -0.26 0.00 0.00 64.21 64.38 3hi1 n SER 15 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hi1 s GLU 16 N 0.00 0.68 0.23 4.33 2.02 -0.83 -3.60 118.70 121.52 3hi1 s GLU 16 Ca 0.00 -0.25 0.07 0.00 0.02 0.00 0.00 54.97 54.82 3hi1 s GLU 16 Cb 0.00 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.36 3hi1 s GLU 16 CO 0.00 -2.41 0.10 0.95 0.02 0.00 0.00 175.26 173.91 3hi1 s THR 17 N -3.71 4.07 -0.12 3.63 -4.23 -1.26 -0.69 115.64 113.33 3hi1 s THR 17 Ca 0.71 -1.48 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 3hi1 s THR 17 Cb -0.06 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 3hi1 s THR 17 CO 0.53 -0.27 0.04 -0.22 -0.54 0.00 0.00 174.62 174.15 3hi1 s LEU 18 N -3.50 3.75 -0.06 4.79 2.96 0.17 -4.91 118.68 121.88 3hi1 s LEU 18 Ca 0.31 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.42 3hi1 s LEU 18 Cb -0.08 -1.89 0.01 0.00 0.50 0.00 0.00 46.19 44.72 3hi1 s LEU 18 CO 0.22 0.32 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.99 3hi1 s SER 19 N -0.52 1.97 0.14 3.68 0.01 -1.26 -0.81 113.70 116.91 3hi1 s SER 19 Ca 0.10 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.06 3hi1 s SER 19 Cb -0.12 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.25 3hi1 s SER 19 CO 0.02 0.07 -0.07 -0.76 0.41 0.00 0.00 173.24 172.91 3hi1 s LEU 20 N 0.47 2.47 -0.05 2.44 1.43 -0.83 -4.24 118.68 120.36 3hi1 s LEU 20 Ca -0.12 -1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 51.92 3hi1 s LEU 20 Cb -0.15 -0.22 0.04 0.00 0.03 0.00 0.00 46.19 45.89 3hi1 s LEU 20 CO 0.04 -0.41 0.10 -0.89 0.23 0.00 0.00 176.35 175.42 3hi1 s THR 21 N -3.47 -0.10 -0.13 5.49 2.01 -0.55 -1.14 115.64 117.76 3hi1 s THR 21 Ca 0.16 0.26 -0.08 0.00 0.31 0.00 0.00 61.69 62.34 3hi1 s THR 21 Cb 0.04 -0.19 -0.04 0.00 0.01 0.00 0.00 72.50 72.32 3hi1 s THR 21 CO -0.01 0.11 0.15 0.00 -0.69 0.00 0.00 174.62 174.18 3hi1 s THR 23 N -0.81 1.95 -0.03 0.00 2.01 -0.10 -2.05 115.64 116.60 3hi1 s THR 23 Ca 0.14 -0.94 -0.08 0.00 0.31 0.00 0.00 61.69 61.12 3hi1 s THR 23 Cb -0.12 -1.71 -0.05 0.00 0.01 0.00 0.00 72.50 70.64 3hi1 s THR 23 CO 0.03 0.53 0.25 -0.69 -0.69 0.00 0.00 174.62 174.06 3hi1 s VAL 24 N 0.54 5.33 0.01 3.82 1.01 -0.99 -1.34 120.40 128.78 3hi1 s VAL 24 Ca -0.14 0.28 -0.10 0.00 0.00 0.00 0.00 61.98 62.02 3hi1 s VAL 24 Cb -0.17 -3.54 0.01 0.00 0.00 0.00 0.00 36.38 32.68 3hi1 s VAL 24 CO 0.05 0.48 0.19 -0.94 0.00 0.00 0.00 175.10 174.88 3hi1 s SER 25 N -1.39 -0.02 0.00 3.32 1.04 -0.35 -4.84 113.70 111.45 3hi1 s SER 25 Ca 0.23 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.48 3hi1 s SER 25 Cb -0.13 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3hi1 s SER 25 CO 0.12 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.52 3hi1 n GLY 26 N 1.23 3.09 0.00 7.32 0.00 -1.26 0.19 105.19 115.77 3hi1 n GLY 26 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3hi1 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hi1 n GLY 27 N -1.54 5.50 2.88 -0.02 0.00 -1.26 -4.44 105.19 106.31 3hi1 n GLY 27 Ca 0.00 -1.49 -0.12 0.00 0.00 0.00 0.00 46.02 44.41 3hi1 n GLY 27 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hi1 s SER 28 N 1.00 -0.01 0.37 1.61 0.15 -1.26 -5.01 113.70 110.55 3hi1 s SER 28 Ca 0.00 0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.72 3hi1 s SER 28 Cb 0.00 0.03 0.71 0.00 -1.71 0.00 0.00 66.02 65.05 3hi1 s SER 28 CO 0.00 -0.01 2.03 0.40 1.20 0.00 0.00 173.24 176.85 3hi1 h ILE 29 N 5.19 1.14 -1.40 6.45 2.04 -1.92 -3.44 117.51 125.57 3hi1 h ILE 29 Ca -0.25 -0.26 -0.71 0.00 1.00 0.00 0.00 64.86 64.64 3hi1 h ILE 29 Cb 1.20 0.32 0.07 0.00 -0.74 0.00 0.00 36.82 37.67 3hi1 h ILE 29 CO 0.50 0.14 0.08 -1.20 0.00 0.00 0.00 178.15 177.67 3hi1 n SER 30 N -4.45 0.44 0.00 1.72 7.64 -1.26 -1.97 113.62 115.75 3hi1 n SER 30 Ca 0.05 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.08 3hi1 n SER 30 Cb 0.05 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 3hi1 n SER 30 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hi1 n SER 31 N 1.89 0.00 -4.65 6.43 7.64 -1.26 -5.00 113.62 118.67 3hi1 n SER 31 Ca 0.18 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.81 3hi1 n SER 31 Cb 0.18 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.30 3hi1 n SER 31 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 3hi1 s HIS 32 N -2.39 2.57 0.08 1.43 4.02 -0.83 -4.47 115.29 115.70 3hi1 s HIS 32 Ca 0.00 -0.44 0.01 0.00 1.02 0.00 0.00 55.06 55.65 3hi1 s HIS 32 Cb 0.00 -1.54 -0.04 0.00 -1.02 0.00 0.00 32.58 29.98 3hi1 s HIS 32 CO 0.00 0.44 0.21 0.71 1.02 0.00 0.00 174.74 177.12 3hi1 s TYR 33 N -2.52 3.46 -0.03 1.40 1.51 -1.26 -2.07 117.35 117.86 3hi1 s TYR 33 Ca 0.35 0.19 -0.01 0.00 -1.01 0.00 0.00 57.07 56.60 3hi1 s TYR 33 Cb 0.00 -1.72 0.03 0.00 -0.11 0.00 0.00 41.96 40.16 3hi1 s TYR 33 CO 0.20 0.56 0.04 -1.58 -1.11 0.00 0.00 175.55 173.67 3hi1 s TRP 34 N -1.55 0.03 0.16 2.71 0.52 -0.52 -0.71 118.94 119.58 3hi1 s TRP 34 Ca 0.34 0.18 0.09 0.00 0.02 0.00 0.00 56.10 56.73 3hi1 s TRP 34 Cb -0.12 -0.30 -0.04 0.00 -1.15 0.00 0.00 33.47 31.85 3hi1 s TRP 34 CO 0.27 -0.12 -0.16 -1.12 0.02 0.00 0.00 176.95 175.85 3hi1 s SER 35 N 1.40 3.97 -0.06 2.95 0.01 0.17 -0.80 113.70 121.33 3hi1 s SER 35 Ca -0.05 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.62 3hi1 s SER 35 Cb -0.13 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.50 3hi1 s SER 35 CO -0.03 0.14 -0.10 0.26 0.41 0.00 0.00 173.24 173.91 3hi1 s TRP 36 N -1.46 2.83 0.01 2.43 0.52 -0.75 -0.95 118.94 121.56 3hi1 s TRP 36 Ca 0.21 -0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.28 3hi1 s TRP 36 Cb -0.09 -1.67 -0.01 0.00 -1.15 0.00 0.00 33.47 30.55 3hi1 s TRP 36 CO 0.12 0.27 -0.03 0.42 0.02 0.00 0.00 176.95 177.74 3hi1 s ILE 37 N -0.78 0.25 0.13 2.03 1.09 0.21 -1.00 121.20 123.13 3hi1 s ILE 37 Ca 0.12 -0.34 0.07 0.00 -1.10 0.00 0.00 60.65 59.40 3hi1 s ILE 37 Cb -0.11 -0.25 -0.04 0.00 -1.06 0.00 0.00 42.46 41.00 3hi1 s ILE 37 CO 0.01 -0.06 -0.15 0.00 -0.10 0.00 0.00 174.94 174.63 3hi1 s ARG 38 N -0.43 1.08 -0.05 2.79 1.70 -0.03 0.19 118.95 124.22 3hi1 s ARG 38 Ca -0.02 -1.27 -0.02 0.00 -0.47 0.00 0.00 55.73 53.95 3hi1 s ARG 38 Cb -0.03 -1.02 0.03 0.00 -0.57 0.00 0.00 34.95 33.35 3hi1 s ARG 38 CO -0.00 0.20 0.04 -1.14 -1.08 0.00 0.00 175.30 173.32 3hi1 s GLN 39 N -2.65 0.14 0.51 3.89 0.74 0.21 -0.46 119.66 122.04 3hi1 s GLN 39 Ca 0.10 0.27 -0.18 0.00 0.05 0.00 0.00 55.36 55.60 3hi1 s GLN 39 Cb -0.05 -0.62 -0.08 0.00 1.10 0.00 0.00 33.01 33.36 3hi1 s GLN 39 CO 0.04 -0.30 1.01 -1.12 -0.55 0.00 0.00 175.29 174.37 3hi1 s SER 40 N 1.97 6.40 -0.05 6.67 0.01 -1.26 -0.85 113.70 126.59 3hi1 s SER 40 Ca 0.03 1.76 -0.37 0.00 1.31 0.00 0.00 55.95 58.68 3hi1 s SER 40 Cb -0.12 -2.54 -0.16 0.00 0.21 0.00 0.00 66.02 63.41 3hi1 s SER 40 CO -0.04 -0.74 1.56 -2.65 0.41 0.00 0.00 173.24 171.78 3hi1 n PRO 41 N -1.31 1.34 0.00 12.44 -0.02 -1.26 -0.60 135.00 145.59 3hi1 n PRO 41 Ca 0.08 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 3hi1 n PRO 41 Cb 0.53 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3hi1 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hi1 n GLY 42 N 3.37 2.05 1.47 -1.23 0.00 -1.26 -4.95 105.19 104.64 3hi1 n GLY 42 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.13 3hi1 n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hi1 n LYS 43 N -1.58 -0.43 -1.59 1.61 4.76 0.23 -5.10 118.16 116.06 3hi1 n LYS 43 Ca 0.00 -0.80 -0.07 0.00 -2.87 0.00 0.00 58.31 54.57 3hi1 n LYS 43 Cb 0.00 -0.50 0.03 0.00 -1.84 0.00 0.00 35.03 32.72 3hi1 n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hi1 n GLY 44 N 1.72 1.64 3.78 0.72 0.00 -1.26 -4.69 105.19 107.10 3hi1 n GLY 44 Ca 0.06 -2.12 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 3hi1 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hi1 s LEU 45 N 0.00 4.51 -0.14 0.99 1.43 -1.26 -4.02 118.68 120.19 3hi1 s LEU 45 Ca 0.22 1.41 -0.00 0.00 -1.03 0.00 0.00 54.13 54.72 3hi1 s LEU 45 Cb -0.02 -3.11 0.03 0.00 0.03 0.00 0.00 46.19 43.13 3hi1 s LEU 45 CO 0.14 0.16 -0.07 -1.58 0.23 0.00 0.00 176.35 175.23 3hi1 s GLN 46 N -0.71 1.54 0.15 1.70 0.74 0.39 -5.00 119.66 118.46 3hi1 s GLN 46 Ca 0.34 -0.38 -0.31 0.00 0.05 0.00 0.00 55.36 55.06 3hi1 s GLN 46 Cb -0.21 -1.79 -0.08 0.00 1.10 0.00 0.00 33.01 32.03 3hi1 s GLN 46 CO 0.22 -0.33 1.38 -0.46 -0.55 0.00 0.00 175.29 175.54 3hi1 s TRP 47 N 1.66 3.23 -0.22 1.67 -0.00 -1.26 -0.85 118.94 123.17 3hi1 s TRP 47 Ca 0.03 1.02 -0.05 0.00 -0.00 0.00 0.00 56.10 57.10 3hi1 s TRP 47 Cb -0.14 -3.68 -0.19 0.00 -0.00 0.00 0.00 33.47 29.47 3hi1 s TRP 47 CO -0.08 -2.30 -0.06 -0.89 -0.00 0.00 0.00 176.95 173.61 3hi1 n ILE 48 N 3.50 1.58 0.00 5.86 5.41 -0.17 -4.69 119.36 130.85 3hi1 n ILE 48 Ca 0.10 -0.51 0.00 0.00 1.00 0.00 0.00 62.75 63.34 3hi1 n ILE 48 Cb 0.42 -1.64 0.00 0.00 -0.71 0.00 0.00 39.64 37.71 3hi1 n ILE 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hi1 n GLY 49 N 1.94 -0.45 3.28 7.39 0.00 -1.21 -0.44 105.19 115.70 3hi1 n GLY 49 Ca -0.43 -1.30 -0.14 0.00 0.00 0.00 0.00 46.02 44.15 3hi1 n GLY 49 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hi1 s TYR 50 N -1.98 1.23 -0.01 1.61 1.13 -0.15 -1.80 117.35 117.37 3hi1 s TYR 50 Ca 0.00 -1.38 0.01 0.00 -1.41 0.00 0.00 57.07 54.28 3hi1 s TYR 50 Cb 0.00 -0.49 0.00 0.00 -1.10 0.00 0.00 41.96 40.37 3hi1 s TYR 50 CO 0.00 -0.77 -0.02 -1.50 -2.51 0.00 0.00 175.55 170.75 3hi1 s ILE 51 N -3.88 0.19 0.33 -3.49 2.07 0.02 -1.55 121.20 114.89 3hi1 s ILE 51 Ca 0.37 -0.07 -0.21 0.00 -1.41 0.00 0.00 60.65 59.32 3hi1 s ILE 51 Cb 0.05 -0.19 -0.10 0.00 0.13 0.00 0.00 42.46 42.35 3hi1 s ILE 51 CO 0.16 0.07 0.87 -0.47 -1.91 0.00 0.00 174.94 173.66 3hi1 s TYR 52 N 0.13 3.52 0.39 3.50 5.04 0.72 -1.43 117.35 129.22 3hi1 s TYR 52 Ca -0.01 1.56 0.14 0.00 -2.44 0.00 0.00 57.07 56.32 3hi1 s TYR 52 Cb -0.03 -2.77 0.98 0.00 0.35 0.00 0.00 41.96 40.48 3hi1 s TYR 52 CO -0.00 0.12 1.87 0.10 -1.34 0.00 0.00 175.55 176.30 3hi1 h TYR 53 N 2.70 0.64 -1.02 4.97 -0.00 -1.68 0.50 116.97 123.08 3hi1 h TYR 53 Ca -0.48 0.02 0.27 0.00 0.00 0.00 0.00 58.73 58.54 3hi1 h TYR 53 Cb 1.19 -0.20 -0.12 0.00 0.00 0.00 0.00 36.73 37.59 3hi1 h TYR 53 CO 0.62 0.20 0.62 1.03 -0.00 0.00 0.00 178.16 180.63 3hi1 h SER 54 N 0.51 0.58 0.00 0.10 0.87 -1.92 -3.46 113.55 110.23 3hi1 h SER 54 Ca 0.45 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 3hi1 h SER 54 Cb 0.96 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 3hi1 h SER 54 CO -0.19 0.05 0.00 0.61 -0.53 0.00 0.00 176.83 176.77 3hi1 n GLY 55 N -1.35 1.78 3.77 5.77 0.00 0.17 -5.11 105.19 110.22 3hi1 n GLY 55 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 3hi1 n GLY 55 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hi1 s SER 56 N -1.30 6.67 0.41 1.61 1.04 -1.26 -4.74 113.70 116.13 3hi1 s SER 56 Ca 0.00 2.65 0.05 0.00 0.48 0.00 0.00 55.95 59.14 3hi1 s SER 56 Cb 0.00 -2.64 -0.06 0.00 0.10 0.00 0.00 66.02 63.41 3hi1 s SER 56 CO 0.00 -0.60 0.02 0.42 0.98 0.00 0.00 173.24 174.06 3hi1 s THR 57 N -1.18 1.62 -0.28 2.02 -4.23 -1.26 -0.20 115.64 112.13 3hi1 s THR 57 Ca 0.51 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.98 3hi1 s THR 57 Cb -0.39 -2.78 0.15 0.00 1.34 0.00 0.00 72.50 70.83 3hi1 s THR 57 CO 0.51 0.00 0.55 0.21 -0.54 0.00 0.00 174.62 175.35 3hi1 s ASN 58 N -3.69 -0.88 0.17 3.99 2.47 -0.60 -4.98 114.94 111.42 3hi1 s ASN 58 Ca 0.30 0.91 0.04 0.00 0.42 0.00 0.00 52.86 54.53 3hi1 s ASN 58 Cb 0.08 1.89 -0.04 0.00 -1.45 0.00 0.00 41.25 41.74 3hi1 s ASN 58 CO 0.15 -0.26 0.21 -0.31 -3.72 0.00 0.00 177.10 173.17 3hi1 s TYR 59 N 2.78 3.28 0.18 0.43 4.12 -1.26 -0.98 117.35 125.89 3hi1 s TYR 59 Ca 0.11 0.02 -0.30 0.00 0.02 0.00 0.00 57.07 56.92 3hi1 s TYR 59 Cb -0.14 -1.56 -0.09 0.00 -1.52 0.00 0.00 41.96 38.65 3hi1 s TYR 59 CO -0.19 0.51 1.34 0.45 0.02 0.00 0.00 175.55 177.69 3hi1 s SER 60 N -3.27 6.86 0.22 2.29 0.15 0.42 -4.85 113.70 115.53 3hi1 s SER 60 Ca 0.33 2.40 -0.07 0.00 0.70 0.00 0.00 55.95 59.30 3hi1 s SER 60 Cb -0.10 -2.60 0.34 0.00 -1.71 0.00 0.00 66.02 61.95 3hi1 s SER 60 CO 0.26 -0.58 1.76 1.55 1.20 0.00 0.00 173.24 177.43 3hi1 h PRO 61 N 5.79 0.51 0.00 5.44 0.13 -1.95 0.76 132.00 142.68 3hi1 h PRO 61 Ca -0.44 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3hi1 h PRO 61 Cb 1.21 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3hi1 h PRO 61 CO 0.80 0.33 0.00 -1.13 -0.23 0.00 0.00 178.00 177.78 3hi1 n SER 62 N -4.92 0.00 0.00 1.44 3.41 -1.26 -2.62 113.62 109.66 3hi1 n SER 62 Ca 0.11 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 3hi1 n SER 62 Cb 0.30 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.10 3hi1 n SER 62 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hi1 n LEU 63 N -1.14 0.00 -0.29 1.04 4.77 -0.13 -4.88 117.00 116.37 3hi1 n LEU 63 Ca 0.10 -0.14 0.04 0.00 -0.03 0.00 0.00 56.01 55.98 3hi1 n LEU 63 Cb 0.09 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.28 3hi1 n LEU 63 CO 0.10 0.00 0.51 1.17 -1.33 0.00 0.00 177.39 177.85 3hi1 n LYS 64 N -0.95 -0.09 0.22 3.23 4.81 0.07 -0.23 118.16 125.22 3hi1 n LYS 64 Ca 0.00 1.23 0.18 0.00 -0.87 0.00 0.00 58.31 58.85 3hi1 n LYS 64 Cb 0.00 -1.84 0.85 0.00 0.02 0.00 0.00 35.03 34.06 3hi1 n LYS 64 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hi1 h SER 65 N 0.00 0.00 -0.00 3.14 4.64 -1.88 -2.95 113.55 116.49 3hi1 h SER 65 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3hi1 h SER 65 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3hi1 h SER 65 CO -0.81 0.00 -0.09 0.54 -0.87 0.00 0.00 176.83 175.60 3hi1 n ARG 66 N -3.64 1.86 -4.00 4.77 1.74 0.68 -5.01 116.66 113.07 3hi1 n ARG 66 Ca 0.02 -0.53 -0.36 0.00 -0.77 0.00 0.00 57.85 56.20 3hi1 n ARG 66 Cb 0.35 -0.98 -0.07 0.00 -1.02 0.00 0.00 32.46 30.74 3hi1 n ARG 66 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3hi1 s VAL 67 N -0.87 5.23 -0.06 1.55 1.01 -1.12 -1.88 120.40 124.26 3hi1 s VAL 67 Ca 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.13 3hi1 s VAL 67 Cb 0.05 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.19 3hi1 s VAL 67 CO 0.13 0.62 -0.00 -0.89 0.00 0.00 0.00 175.10 174.95 3hi1 s THR 68 N -0.99 0.34 -0.24 3.92 2.01 -0.57 -4.99 115.64 115.12 3hi1 s THR 68 Ca 0.15 0.09 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 3hi1 s THR 68 Cb -0.12 -0.46 0.02 0.00 0.01 0.00 0.00 72.50 71.95 3hi1 s THR 68 CO 0.04 0.23 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.48 3hi1 s ILE 69 N 1.58 2.81 0.35 1.82 1.01 -1.26 -0.44 121.20 127.07 3hi1 s ILE 69 Ca -0.01 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 59.73 3hi1 s ILE 69 Cb -0.13 -2.40 -0.03 0.00 0.01 0.00 0.00 42.46 39.91 3hi1 s ILE 69 CO -0.03 0.25 0.27 -0.94 0.00 0.00 0.00 174.94 174.49 3hi1 s SER 70 N 1.33 5.14 0.02 3.58 1.04 -0.87 -4.94 113.70 119.01 3hi1 s SER 70 Ca 0.01 -0.58 0.03 0.00 0.48 0.00 0.00 55.95 55.88 3hi1 s SER 70 Cb -0.16 -0.88 -0.01 0.00 0.10 0.00 0.00 66.02 65.07 3hi1 s SER 70 CO -0.05 -0.38 -0.08 0.54 0.98 0.00 0.00 173.24 174.24 3hi1 s VAL 71 N -2.35 0.62 -0.48 5.02 0.11 -1.26 -0.88 120.40 121.18 3hi1 s VAL 71 Ca 0.41 -0.69 0.04 0.00 -2.93 0.00 0.00 61.98 58.81 3hi1 s VAL 71 Cb -0.05 -0.59 0.17 0.00 -1.53 0.00 0.00 36.38 34.37 3hi1 s VAL 71 CO 0.26 -0.07 0.36 -0.70 -3.33 0.00 0.00 175.10 171.62 3hi1 s GLU 72 N -0.85 1.29 0.44 1.54 2.56 0.15 -4.98 118.70 118.86 3hi1 s GLU 72 Ca -0.02 -2.36 0.10 0.00 0.00 0.00 0.00 54.97 52.69 3hi1 s GLU 72 Cb -0.06 -1.97 0.99 0.00 2.00 0.00 0.00 34.13 35.09 3hi1 s GLU 72 CO 0.00 -1.34 2.08 1.79 -0.56 0.00 0.00 175.26 177.23 3hi1 h THR 73 N 4.64 1.06 -0.80 -1.70 1.35 -1.93 -0.86 112.91 114.67 3hi1 h THR 73 Ca 0.20 -0.14 0.15 0.00 -0.55 0.00 0.00 66.41 66.08 3hi1 h THR 73 Cb 0.88 0.63 -0.10 0.00 -1.73 0.00 0.00 68.15 67.82 3hi1 h THR 73 CO 0.46 0.07 0.35 0.00 -0.25 0.00 0.00 175.52 176.15 3hi1 h ALA 74 N 1.81 1.17 -0.18 6.62 0.00 -1.93 -1.19 119.26 125.55 3hi1 h ALA 74 Ca 0.12 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hi1 h ALA 74 Cb 0.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3hi1 h ALA 74 CO -0.03 -0.20 0.00 1.63 0.00 0.00 0.00 179.25 180.66 3hi1 n LYS 75 N -4.97 2.23 -3.09 0.00 5.02 -0.78 -5.00 118.16 111.57 3hi1 n LYS 75 Ca 0.16 -2.00 -0.13 0.00 -2.02 0.00 0.00 58.31 54.32 3hi1 n LYS 75 Cb 0.45 -1.45 0.06 0.00 -0.02 0.00 0.00 35.03 34.08 3hi1 n LYS 75 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3hi1 n ASN 76 N 1.31 -2.62 -3.75 4.39 5.15 -0.40 -4.91 115.26 114.42 3hi1 n ASN 76 Ca 0.15 -0.44 -0.10 0.00 -0.60 0.00 0.00 54.58 53.59 3hi1 n ASN 76 Cb 0.57 -3.87 -0.06 0.00 -0.53 0.00 0.00 39.78 35.88 3hi1 n ASN 76 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hi1 s GLN 77 N -5.17 0.91 0.23 1.20 -2.07 -1.03 -2.34 119.66 111.39 3hi1 s GLN 77 Ca 0.08 -0.76 0.04 0.00 -1.82 0.00 0.00 55.36 52.90 3hi1 s GLN 77 Cb -0.04 0.39 -0.05 0.00 -1.09 0.00 0.00 33.01 32.22 3hi1 s GLN 77 CO 0.53 -0.32 -0.01 -0.59 -1.32 0.00 0.00 175.29 173.58 3hi1 s PHE 78 N -3.51 1.56 0.05 9.60 -0.12 -0.87 -0.68 117.98 124.00 3hi1 s PHE 78 Ca 0.02 -0.90 -0.01 0.00 -0.05 0.00 0.00 56.93 55.99 3hi1 s PHE 78 Cb 0.02 -0.89 -0.04 0.00 -0.63 0.00 0.00 43.02 41.48 3hi1 s PHE 78 CO -0.09 -0.01 -0.03 -1.12 -0.05 0.00 0.00 175.22 173.91 3hi1 s SER 79 N -3.30 0.46 0.14 1.98 0.01 -0.06 -0.43 113.70 112.50 3hi1 s SER 79 Ca 0.28 -0.89 0.09 0.00 1.31 0.00 0.00 55.95 56.73 3hi1 s SER 79 Cb 0.05 0.18 -0.04 0.00 0.21 0.00 0.00 66.02 66.42 3hi1 s SER 79 CO 0.08 -0.53 -0.15 -0.22 0.41 0.00 0.00 173.24 172.83 3hi1 s LEU 80 N -2.62 2.81 -0.09 2.44 2.96 -0.29 -2.05 118.68 121.84 3hi1 s LEU 80 Ca 0.02 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 3hi1 s LEU 80 Cb 0.04 -1.59 0.05 0.00 0.50 0.00 0.00 46.19 45.18 3hi1 s LEU 80 CO -0.08 0.15 0.11 -0.75 -1.32 0.00 0.00 176.35 174.47 3hi1 s LYS 81 N -2.37 0.00 -0.13 1.98 2.47 0.42 -1.97 119.74 120.15 3hi1 s LYS 81 Ca 0.20 0.35 0.02 0.00 -1.56 0.00 0.00 55.97 54.98 3hi1 s LYS 81 Cb -0.10 -0.71 0.01 0.00 -1.46 0.00 0.00 37.83 35.58 3hi1 s LYS 81 CO 0.12 -0.41 -0.18 -1.17 0.16 0.00 0.00 175.35 173.88 3hi1 s LEU 82 N 2.22 1.87 0.07 5.43 2.96 0.01 -1.52 118.68 129.72 3hi1 s LEU 82 Ca 0.04 -0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 53.30 3hi1 s LEU 82 Cb -0.13 -1.24 -0.06 0.00 0.50 0.00 0.00 46.19 45.26 3hi1 s LEU 82 CO -0.06 0.03 0.48 -0.89 -1.32 0.00 0.00 176.35 174.59 3hi1 s THR 82 N 1.00 4.93 -1.00 3.68 2.01 -0.79 0.43 115.64 125.89 3hi1 s THR 82 Ca -0.05 0.86 -0.00 0.00 0.31 0.00 0.00 61.69 62.81 3hi1 s THR 82 Cb -0.15 -3.75 0.00 0.00 0.01 0.00 0.00 72.50 68.61 3hi1 s THR 82 CO -0.03 0.44 0.84 -1.20 -0.69 0.00 0.00 174.62 173.98 3hi1 n SER 82 N 1.39 -2.09 -4.70 3.53 7.64 -1.18 -4.90 113.62 113.31 3hi1 n SER 82 Ca -0.10 -0.52 -0.43 0.00 1.01 0.00 0.00 58.87 58.83 3hi1 n SER 82 Cb 0.52 -4.36 -0.02 0.00 -1.01 0.00 0.00 64.21 59.34 3hi1 n SER 82 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 3hi1 n MET 82 N -3.62 2.24 -4.26 1.43 0.00 0.13 -4.52 117.12 108.53 3hi1 n MET 82 Ca -0.24 0.79 -0.14 0.00 0.00 0.00 0.00 57.70 58.11 3hi1 n MET 82 Cb 0.64 -2.46 -0.10 0.00 0.00 0.00 0.00 33.22 31.30 3hi1 n MET 82 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3hi1 s THR 83 N -0.37 0.42 0.39 2.03 -4.23 -1.26 0.23 115.64 112.85 3hi1 s THR 83 Ca 0.63 -1.99 0.20 0.00 -1.18 0.00 0.00 61.69 59.35 3hi1 s THR 83 Cb -0.59 -2.42 0.40 0.00 1.34 0.00 0.00 72.50 71.23 3hi1 s THR 83 CO 0.53 -0.17 1.73 0.00 -0.54 0.00 0.00 174.62 176.18 3hi1 h ALA 84 N 2.56 2.27 0.00 3.99 0.00 -1.95 1.35 119.26 127.48 3hi1 h ALA 84 Ca -0.37 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3hi1 h ALA 84 Cb 1.23 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3hi1 h ALA 84 CO 0.59 -0.74 0.00 0.00 0.00 0.00 0.00 179.25 179.11 3hi1 n ALA 85 N -2.46 1.23 1.13 0.00 0.00 -1.26 -0.95 120.51 118.20 3hi1 n ALA 85 Ca 0.28 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.92 3hi1 n ALA 85 Cb 0.98 -1.21 0.19 0.00 0.00 0.00 0.00 19.45 19.41 3hi1 n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3hi1 n ASP 86 N -1.89 2.23 -4.66 0.00 8.00 0.46 -4.90 116.55 115.79 3hi1 n ASP 86 Ca 0.00 -1.65 -0.42 0.00 0.71 0.00 0.00 54.79 53.43 3hi1 n ASP 86 Cb 0.08 0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.28 3hi1 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3hi1 s THR 87 N -2.17 3.51 0.12 -3.53 2.01 -0.13 -4.92 115.64 110.54 3hi1 s THR 87 Ca 0.27 0.63 -0.26 0.00 0.31 0.00 0.00 61.69 62.64 3hi1 s THR 87 Cb 0.20 -3.40 0.08 0.00 0.01 0.00 0.00 72.50 69.38 3hi1 s THR 87 CO 0.40 -0.05 1.03 0.00 -0.69 0.00 0.00 174.62 175.31 3hi1 s ALA 88 N 4.07 -1.78 -0.09 7.40 0.00 -0.91 -4.52 121.76 125.93 3hi1 s ALA 88 Ca 0.75 0.25 -0.24 0.00 0.00 0.00 0.00 51.96 52.73 3hi1 s ALA 88 Cb -0.34 0.58 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 3hi1 s ALA 88 CO 0.31 -1.05 0.72 0.08 0.00 0.00 0.00 175.76 175.82 3hi1 s VAL 89 N -3.09 5.02 -0.19 0.00 1.01 -0.03 -0.85 120.40 122.26 3hi1 s VAL 89 Ca 0.13 1.46 -0.05 0.00 0.00 0.00 0.00 61.98 63.52 3hi1 s VAL 89 Cb 0.00 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.30 3hi1 s VAL 89 CO 0.01 0.21 0.01 -0.31 0.00 0.00 0.00 175.10 175.02 3hi1 s TYR 90 N 1.09 3.08 -0.00 5.22 1.51 0.11 -0.62 117.35 127.73 3hi1 s TYR 90 Ca 0.37 -0.32 0.03 0.00 -1.01 0.00 0.00 57.07 56.15 3hi1 s TYR 90 Cb -0.17 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.57 3hi1 s TYR 90 CO 0.17 -0.13 -0.09 0.71 -1.11 0.00 0.00 175.55 175.10 3hi1 s TYR 91 N 0.80 2.84 0.09 2.71 1.51 0.52 -1.26 117.35 124.55 3hi1 s TYR 91 Ca 0.01 -0.07 0.01 0.00 -1.01 0.00 0.00 57.07 56.01 3hi1 s TYR 91 Cb -0.14 -1.60 -0.04 0.00 -0.11 0.00 0.00 41.96 40.07 3hi1 s TYR 91 CO 0.02 0.34 0.21 0.00 -1.11 0.00 0.00 175.55 175.01 3hi1 s ALA 93 N -1.56 -1.66 0.34 0.00 0.00 -0.13 -0.71 121.76 118.05 3hi1 s ALA 93 Ca 0.34 1.14 -0.23 0.00 0.00 0.00 0.00 51.96 53.22 3hi1 s ALA 93 Cb -0.12 0.09 -0.10 0.00 0.00 0.00 0.00 23.12 22.99 3hi1 s ALA 93 CO 0.27 -0.40 0.90 0.50 0.00 0.00 0.00 175.76 177.03 3hi1 s ARG 94 N -1.46 4.38 0.00 0.00 3.52 0.82 0.42 118.95 126.62 3hi1 s ARG 94 Ca -0.10 1.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.65 3hi1 s ARG 94 Cb -0.00 -2.58 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 3hi1 s ARG 94 CO 0.07 0.19 0.00 0.41 -0.81 0.00 0.00 175.30 175.16 3hi1 n GLY 95 N 0.13 -1.70 0.11 8.12 0.00 0.11 -1.02 105.19 110.94 3hi1 n GLY 95 Ca 0.03 -2.04 0.12 0.00 0.00 0.00 0.00 46.02 44.14 3hi1 n GLY 95 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hi1 h PRO 96 N 0.13 0.00 -6.68 1.61 0.13 -1.86 -3.19 132.00 122.14 3hi1 h PRO 96 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 3hi1 h PRO 96 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hi1 h PRO 96 CO 0.00 0.00 0.43 0.08 -0.23 0.00 0.00 178.00 178.28 3hi1 s VAL 97 N -3.16 3.97 0.69 1.56 1.01 -1.26 -1.08 120.40 122.13 3hi1 s VAL 97 Ca 0.08 1.77 -0.13 0.00 0.00 0.00 0.00 61.98 63.70 3hi1 s VAL 97 Cb 0.11 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.38 3hi1 s VAL 97 CO 0.66 0.34 1.08 -2.16 0.00 0.00 0.00 175.10 175.02 3hi1 s PRO 98 N -0.60 2.74 0.13 2.72 0.04 -1.25 -4.38 135.00 134.40 3hi1 s PRO 98 Ca 0.47 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.50 3hi1 s PRO 98 Cb -0.28 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.29 3hi1 s PRO 98 CO 0.34 -1.27 1.73 0.00 0.04 0.00 0.00 177.00 177.84 3hi1 h ALA 99 N -0.47 0.24 -2.40 8.56 0.00 -1.90 -3.43 119.26 119.86 3hi1 h ALA 99 Ca -0.45 0.05 -0.56 0.00 0.00 0.00 0.00 54.91 53.95 3hi1 h ALA 99 Cb 1.23 0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 3hi1 h ALA 99 CO 0.54 -0.38 -0.61 0.14 0.00 0.00 0.00 179.25 178.94 3hi1 s VAL 100 N -6.18 3.84 0.54 0.00 -7.23 -1.26 -4.97 120.40 105.14 3hi1 s VAL 100 Ca -0.13 -1.61 0.25 0.00 -1.81 0.00 0.00 61.98 58.68 3hi1 s VAL 100 Cb 0.10 -3.02 0.31 0.00 0.56 0.00 0.00 36.38 34.33 3hi1 s VAL 100 CO 0.69 -0.28 2.18 2.19 -0.31 0.00 0.00 175.10 179.57 3hi1 h PHE 100 N 2.02 0.00 -0.65 2.82 -5.15 -2.03 -0.78 116.94 113.18 3hi1 h PHE 100 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 3hi1 h PHE 100 Cb 1.23 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.40 3hi1 h PHE 100 CO 0.63 0.03 0.00 2.48 -2.00 0.00 0.00 178.31 179.45 3hi1 n TYR 100 N -4.02 1.34 -0.69 6.09 0.18 -1.26 -4.93 117.16 113.86 3hi1 n TYR 100 Ca -0.03 -0.55 0.00 0.00 1.88 0.00 0.00 57.90 59.20 3hi1 n TYR 100 Cb 0.12 -0.19 0.00 0.00 -0.38 0.00 0.00 39.34 38.89 3hi1 n TYR 100 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3hi1 n GLY 100 N 1.24 -1.11 3.68 -7.48 0.00 -0.30 -5.07 105.19 96.15 3hi1 n GLY 100 Ca 0.25 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 3hi1 n GLY 100 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hi1 s ASP 100 N -1.03 5.10 -0.39 1.61 1.01 -1.26 -4.89 116.67 116.82 3hi1 s ASP 100 Ca 0.00 -0.01 -0.19 0.00 0.71 0.00 0.00 52.55 53.06 3hi1 s ASP 100 Cb 0.00 -1.33 0.01 0.00 1.01 0.00 0.00 42.92 42.61 3hi1 s ASP 100 CO 0.00 0.28 0.54 -0.31 0.21 0.00 0.00 175.17 175.89 3hi1 s TYR 100 N -1.09 3.14 -0.20 4.23 1.51 -1.26 -3.77 117.35 119.91 3hi1 s TYR 100 Ca 0.19 -0.00 -0.33 0.00 -1.01 0.00 0.00 57.07 55.92 3hi1 s TYR 100 Cb -0.11 -3.06 0.15 0.00 -0.11 0.00 0.00 41.96 38.83 3hi1 s TYR 100 CO 0.10 -0.68 1.21 -0.98 -1.11 0.00 0.00 175.55 174.09 3hi1 s ARG 100 N 2.48 0.30 -0.44 -0.62 3.03 -0.24 -5.02 118.95 118.44 3hi1 s ARG 100 Ca 0.19 -0.05 -0.20 0.00 2.03 0.00 0.00 55.73 57.70 3hi1 s ARG 100 Cb -0.15 0.14 0.03 0.00 -1.03 0.00 0.00 34.95 33.93 3hi1 s ARG 100 CO 0.15 -0.12 0.60 -0.51 -1.13 0.00 0.00 175.30 174.30 3hi1 s LEU 100 N -1.78 4.61 0.00 -1.89 1.43 -1.26 -4.32 118.68 115.47 3hi1 s LEU 100 Ca 0.08 -0.45 0.02 0.00 -1.03 0.00 0.00 54.13 52.74 3hi1 s LEU 100 Cb -0.01 -2.64 -0.01 0.00 0.03 0.00 0.00 46.19 43.56 3hi1 s LEU 100 CO -0.05 -0.75 0.33 -0.67 0.23 0.00 0.00 176.35 175.44 3hi1 n ASP 101 N 6.14 -0.90 -0.03 2.29 2.03 -0.19 -4.80 116.55 121.09 3hi1 n ASP 101 Ca -0.03 -2.67 -0.00 0.00 0.52 0.00 0.00 54.79 52.61 3hi1 n ASP 101 Cb 0.48 1.81 -0.00 0.00 -0.72 0.00 0.00 41.12 42.68 3hi1 n ASP 101 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3hi1 n PRO 102 N -0.50 0.00 -2.51 -0.67 -0.02 -1.26 -0.13 135.00 129.91 3hi1 n PRO 102 Ca 0.03 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.27 3hi1 n PRO 102 Cb 0.49 -0.01 0.11 0.00 -0.02 0.00 0.00 33.50 34.07 3hi1 n PRO 102 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hi1 s TRP 103 N -0.01 1.77 0.00 6.00 0.52 -1.26 -2.61 118.94 123.36 3hi1 s TRP 103 Ca 0.01 -0.16 0.00 0.00 0.02 0.00 0.00 56.10 55.96 3hi1 s TRP 103 Cb -0.01 -3.08 0.00 0.00 -1.15 0.00 0.00 33.47 29.24 3hi1 s TRP 103 CO 0.00 -1.70 0.00 0.41 0.02 0.00 0.00 176.95 175.69 3hi1 n GLY 104 N -2.87 0.79 0.09 0.98 0.00 0.11 -4.12 105.19 100.17 3hi1 n GLY 104 Ca 0.14 -1.91 -0.04 0.00 0.00 0.00 0.00 46.02 44.21 3hi1 n GLY 104 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hi1 n GLN 105 N -0.49 0.64 0.00 1.61 1.13 -1.26 -4.94 117.38 114.07 3hi1 n GLN 105 Ca 0.00 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 3hi1 n GLN 105 Cb 0.00 -1.73 0.00 0.00 0.11 0.00 0.00 30.24 28.62 3hi1 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hi1 n GLY 106 N 1.50 1.12 3.23 1.08 0.00 -1.26 -5.01 105.19 105.84 3hi1 n GLY 106 Ca -0.16 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 3hi1 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hi1 s THR 107 N -2.20 1.81 -0.32 2.61 2.01 -0.39 -4.89 115.64 114.28 3hi1 s THR 107 Ca 0.00 -0.94 -0.24 0.00 0.31 0.00 0.00 61.69 60.82 3hi1 s THR 107 Cb 0.00 -1.53 0.00 0.00 0.01 0.00 0.00 72.50 70.98 3hi1 s THR 107 CO 0.00 0.51 0.83 -0.22 -0.69 0.00 0.00 174.62 175.05 3hi1 s LEU 108 N -0.19 4.07 -0.15 4.42 2.96 -1.26 0.05 118.68 128.58 3hi1 s LEU 108 Ca -0.01 0.67 -0.05 0.00 -0.22 0.00 0.00 54.13 54.52 3hi1 s LEU 108 Cb -0.12 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 3hi1 s LEU 108 CO 0.02 -0.68 0.01 -0.69 -1.32 0.00 0.00 176.35 173.69 3hi1 s VAL 109 N 3.09 4.30 -0.12 1.68 1.01 -0.03 -4.57 120.40 125.76 3hi1 s VAL 109 Ca 0.34 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3hi1 s VAL 109 Cb -0.14 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3hi1 s VAL 109 CO 0.14 0.50 -0.18 -0.89 0.00 0.00 0.00 175.10 174.67 3hi1 s THR 110 N 0.11 2.58 -0.40 3.92 2.01 0.19 -2.14 115.64 121.91 3hi1 s THR 110 Ca 0.02 -0.82 -0.20 0.00 0.31 0.00 0.00 61.69 61.00 3hi1 s THR 110 Cb -0.13 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.34 3hi1 s THR 110 CO 0.02 0.54 0.59 -0.69 -0.69 0.00 0.00 174.62 174.39 3hi1 s VAL 111 N 0.45 4.90 -0.14 3.82 1.01 -1.25 -0.22 120.40 128.98 3hi1 s VAL 111 Ca -0.13 0.21 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 3hi1 s VAL 111 Cb -0.17 -4.11 0.09 0.00 0.00 0.00 0.00 36.38 32.19 3hi1 s VAL 111 CO 0.05 -0.44 0.82 -0.55 0.00 0.00 0.00 175.10 174.98 3hi1 s SER 112 N 1.89 -0.56 0.26 3.32 0.15 0.35 -4.69 113.70 114.42 3hi1 s SER 112 Ca 0.21 0.73 0.23 0.00 0.70 0.00 0.00 55.95 57.83 3hi1 s SER 112 Cb -0.15 0.62 0.28 0.00 -1.71 0.00 0.00 66.02 65.06 3hi1 s SER 112 CO 0.16 -0.43 1.37 0.77 1.20 0.00 0.00 173.24 176.31 3hi1 h SER 113 N 3.25 0.00 -3.86 5.45 4.64 -1.94 -3.32 113.55 117.77 3hi1 h SER 113 Ca -0.25 -0.05 -0.54 0.00 -0.47 0.00 0.00 61.79 60.49 3hi1 h SER 113 Cb 1.15 0.00 0.19 0.00 -0.31 0.00 0.00 62.40 63.43 3hi1 h SER 113 CO 0.29 0.02 0.05 0.00 -0.87 0.00 0.00 176.83 176.33 3hi1 n ALA 114 N -2.03 -0.66 -2.14 5.18 0.00 -1.26 -4.99 120.51 114.60 3hi1 n ALA 114 Ca 0.03 -0.33 -0.29 0.00 0.00 0.00 0.00 53.44 52.84 3hi1 n ALA 114 Cb 0.51 -2.10 -0.00 0.00 0.00 0.00 0.00 19.45 17.85 3hi1 n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hi1 s SER 115 N -1.93 6.29 0.36 0.00 0.01 -1.26 -5.04 113.70 112.12 3hi1 s SER 115 Ca 0.70 1.10 -0.27 0.00 1.31 0.00 0.00 55.95 58.79 3hi1 s SER 115 Cb -0.30 -2.32 -0.09 0.00 0.21 0.00 0.00 66.02 63.52 3hi1 s SER 115 CO 0.54 -0.64 1.13 -0.89 0.41 0.00 0.00 173.24 173.79 3hi1 s THR 116 N -2.83 3.36 -0.06 1.44 2.01 -1.26 -4.68 115.64 113.63 3hi1 s THR 116 Ca 0.50 1.21 -0.02 0.00 0.31 0.00 0.00 61.69 63.68 3hi1 s THR 116 Cb -0.10 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.74 3hi1 s THR 116 CO 0.46 0.17 0.13 -0.75 -0.69 0.00 0.00 174.62 173.94 3hi1 s LYS 117 N -2.03 0.07 0.54 4.92 2.20 0.19 -4.95 119.74 120.69 3hi1 s LYS 117 Ca 0.52 0.36 -0.19 0.00 -0.36 0.00 0.00 55.97 56.30 3hi1 s LYS 117 Cb -0.30 -0.19 -0.06 0.00 -1.51 0.00 0.00 37.83 35.77 3hi1 s LYS 117 CO 0.38 -0.17 1.08 0.20 -0.36 0.00 0.00 175.35 176.48 3hi1 s GLY 118 N 1.21 2.47 0.67 5.54 0.00 -1.26 -1.14 107.32 114.80 3hi1 s GLY 118 Ca -0.09 0.65 -0.11 0.00 0.00 0.00 0.00 44.72 45.17 3hi1 s GLY 118 CO -0.06 0.99 1.05 2.56 0.00 0.00 0.00 173.10 177.64 3hi1 s PRO 119 N -3.45 3.16 -0.13 2.90 0.04 -1.26 -4.48 135.00 131.77 3hi1 s PRO 119 Ca 0.69 0.92 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 3hi1 s PRO 119 Cb -0.19 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 3hi1 s PRO 119 CO 0.27 -0.92 -0.12 -1.12 0.04 0.00 0.00 177.00 175.15 3hi1 s SER 120 N -3.82 4.12 -0.14 6.66 0.01 0.35 -4.93 113.70 115.96 3hi1 s SER 120 Ca 0.58 -0.29 -0.03 0.00 1.31 0.00 0.00 55.95 57.52 3hi1 s SER 120 Cb -0.13 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 64.50 3hi1 s SER 120 CO 0.53 0.18 -0.03 -0.69 0.41 0.00 0.00 173.24 173.64 3hi1 s VAL 121 N 0.25 3.98 0.05 3.43 1.01 -1.26 -0.40 120.40 127.46 3hi1 s VAL 121 Ca -0.08 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.61 3hi1 s VAL 121 Cb -0.15 -2.72 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 3hi1 s VAL 121 CO 0.05 0.52 -0.15 -0.36 0.00 0.00 0.00 175.10 175.16 3hi1 s PHE 122 N 0.05 1.30 0.40 5.22 0.40 0.11 -4.96 117.98 120.49 3hi1 s PHE 122 Ca 0.01 -0.38 -0.23 0.00 -0.60 0.00 0.00 56.93 55.72 3hi1 s PHE 122 Cb -0.13 -0.76 -0.10 0.00 0.51 0.00 0.00 43.02 42.54 3hi1 s PHE 122 CO 0.03 0.05 0.97 -1.25 0.70 0.00 0.00 175.22 175.72 3hi1 s PRO 123 N -1.32 4.27 -0.83 0.24 0.04 -1.26 0.79 135.00 136.93 3hi1 s PRO 123 Ca 0.01 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.26 3hi1 s PRO 123 Cb -0.09 -2.40 0.21 0.00 0.04 0.00 0.00 34.50 32.26 3hi1 s PRO 123 CO 0.02 -0.01 0.73 -0.51 0.04 0.00 0.00 177.00 177.27 3hi1 s LEU 124 N -2.81 5.90 0.30 -3.56 1.43 0.12 -4.75 118.68 115.31 3hi1 s LEU 124 Ca 0.59 -3.19 -0.30 0.00 -1.03 0.00 0.00 54.13 50.20 3hi1 s LEU 124 Cb -0.15 -2.02 -0.11 0.00 0.03 0.00 0.00 46.19 43.94 3hi1 s LEU 124 CO 0.19 -0.35 1.55 0.00 0.23 0.00 0.00 176.35 177.97 3hi1 s ALA 125 N -0.57 3.70 0.37 4.21 0.00 -1.26 -2.24 121.76 125.97 3hi1 s ALA 125 Ca 0.22 1.53 -0.26 0.00 0.00 0.00 0.00 51.96 53.45 3hi1 s ALA 125 Cb -0.12 -3.62 -0.09 0.00 0.00 0.00 0.00 23.12 19.28 3hi1 s ALA 125 CO -0.08 -0.95 1.19 -2.14 0.00 0.00 0.00 175.76 173.78 3hi1 s PRO 126 N -0.73 4.18 0.13 0.00 0.02 -1.26 -4.92 135.00 132.41 3hi1 s PRO 126 Ca 0.61 1.92 -0.28 0.00 0.02 0.00 0.00 61.00 63.27 3hi1 s PRO 126 Cb -0.46 -2.82 -0.06 0.00 0.02 0.00 0.00 34.50 31.17 3hi1 s PRO 126 CO 0.49 -0.24 0.90 -1.12 -0.33 0.00 0.00 177.00 176.70 3hi1 s SER 127 N -0.96 7.45 0.23 2.53 0.01 -1.26 -4.61 113.70 117.09 3hi1 s SER 127 Ca 0.54 1.73 0.25 0.00 1.31 0.00 0.00 55.95 59.78 3hi1 s SER 127 Cb -0.33 -2.56 0.89 0.00 0.21 0.00 0.00 66.02 64.23 3hi1 s SER 127 CO 0.42 0.02 1.75 -1.54 0.41 0.00 0.00 173.24 174.30 3hi1 n SER 128 N 2.44 0.74 -0.08 2.44 3.41 -1.26 -3.61 113.62 117.71 3hi1 n SER 128 Ca -0.00 0.61 -0.12 0.00 -0.26 0.00 0.00 58.87 59.10 3hi1 n SER 128 Cb 0.49 -0.79 -0.08 0.00 -0.26 0.00 0.00 64.21 63.56 3hi1 n SER 128 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3hi1 h LYS 129 N 0.00 0.00 -0.03 4.33 3.64 -2.01 -3.39 116.57 119.11 3hi1 h LYS 129 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hi1 h LYS 129 Cb 0.58 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3hi1 h LYS 129 CO 0.00 0.66 -0.02 -1.13 -2.27 0.00 0.00 179.45 176.69 3hi1 n SER 130 N -4.59 -0.04 -3.10 4.20 3.41 -1.24 -3.18 113.62 109.09 3hi1 n SER 130 Ca -0.14 0.97 -0.17 0.00 -0.26 0.00 0.00 58.87 59.26 3hi1 n SER 130 Cb 0.42 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 63.89 3hi1 n SER 130 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hi1 n THR 131 N -3.02 -0.24 1.11 6.66 -1.04 -1.26 -4.96 114.28 111.52 3hi1 n THR 131 Ca 0.00 -3.86 0.02 0.00 -2.04 0.00 0.00 64.05 58.17 3hi1 n THR 131 Cb 0.01 -0.24 0.11 0.00 -1.82 0.00 0.00 70.33 68.39 3hi1 n THR 131 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hi1 n SER 132 N 0.58 0.00 -3.99 8.00 3.41 -1.19 -3.50 113.62 116.92 3hi1 n SER 132 Ca 0.21 -0.99 -0.32 0.00 -0.26 0.00 0.00 58.87 57.51 3hi1 n SER 132 Cb 0.64 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.47 3hi1 n SER 132 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3hi1 s GLY 133 N -1.56 2.56 0.00 5.00 0.00 -1.26 -4.87 107.32 107.19 3hi1 s GLY 133 Ca 0.06 -3.38 0.00 0.00 0.00 0.00 0.00 44.72 41.39 3hi1 s GLY 133 CO 0.04 1.05 0.00 0.61 0.00 0.00 0.00 173.10 174.81 3hi1 n GLY 134 N 3.01 0.89 3.20 0.20 0.00 -1.23 -5.07 105.19 106.19 3hi1 n GLY 134 Ca 0.09 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 3hi1 n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hi1 s THR 135 N 0.00 1.35 0.43 2.61 -4.23 -1.23 -1.18 115.64 113.39 3hi1 s THR 135 Ca 0.00 -1.23 0.05 0.00 -1.18 0.00 0.00 61.69 59.33 3hi1 s THR 135 Cb 0.00 -1.23 -0.06 0.00 1.34 0.00 0.00 72.50 72.55 3hi1 s THR 135 CO 0.00 -0.03 0.01 0.00 -0.54 0.00 0.00 174.62 174.06 3hi1 s ALA 136 N -1.01 3.38 0.01 3.99 0.00 0.88 -4.47 121.76 124.54 3hi1 s ALA 136 Ca 0.03 -1.81 0.05 0.00 0.00 0.00 0.00 51.96 50.23 3hi1 s ALA 136 Cb -0.09 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 3hi1 s ALA 136 CO 0.02 -0.10 -0.15 0.00 0.00 0.00 0.00 175.76 175.53 3hi1 s ALA 137 N -2.78 1.22 0.30 0.00 0.00 -1.26 -0.53 121.76 118.72 3hi1 s ALA 137 Ca 0.28 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 3hi1 s ALA 137 Cb 0.08 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 3hi1 s ALA 137 CO 0.14 0.27 0.43 -0.48 0.00 0.00 0.00 175.76 176.12 3hi1 s LEU 138 N -0.68 0.89 0.00 0.00 2.34 -0.86 -4.29 118.68 116.08 3hi1 s LEU 138 Ca 0.04 -1.35 0.00 0.00 0.06 0.00 0.00 54.13 52.88 3hi1 s LEU 138 Cb -0.07 1.38 0.00 0.00 -0.56 0.00 0.00 46.19 46.95 3hi1 s LEU 138 CO 0.00 -1.20 0.00 0.61 -1.06 0.00 0.00 176.35 174.70 3hi1 n GLY 139 N -0.49 0.65 3.17 -3.48 0.00 -0.95 -1.42 105.19 102.68 3hi1 n GLY 139 Ca 0.01 -0.74 -0.28 0.00 0.00 0.00 0.00 46.02 45.00 3hi1 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hi1 s LEU 141 N 0.04 4.88 -0.38 0.00 2.96 0.24 -1.20 118.68 125.22 3hi1 s LEU 141 Ca -0.06 -0.69 -0.16 0.00 -0.22 0.00 0.00 54.13 53.00 3hi1 s LEU 141 Cb -0.13 -2.24 0.00 0.00 0.50 0.00 0.00 46.19 44.33 3hi1 s LEU 141 CO 0.03 -0.44 0.41 -0.69 -1.32 0.00 0.00 176.35 174.34 3hi1 s VAL 142 N 1.85 5.12 0.05 1.68 1.01 0.47 -0.71 120.40 129.85 3hi1 s VAL 142 Ca 0.08 -0.09 0.08 0.00 0.00 0.00 0.00 61.98 62.05 3hi1 s VAL 142 Cb -0.18 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 3hi1 s VAL 142 CO 0.11 -0.24 -0.23 -0.75 0.00 0.00 0.00 175.10 173.99 3hi1 s LYS 143 N 2.11 1.54 -0.86 2.72 2.20 0.47 -1.03 119.74 126.89 3hi1 s LYS 143 Ca 0.13 -1.02 -0.03 0.00 -0.36 0.00 0.00 55.97 54.69 3hi1 s LYS 143 Cb -0.17 -1.69 -0.03 0.00 -1.51 0.00 0.00 37.83 34.43 3hi1 s LYS 143 CO 0.13 0.43 0.78 -0.25 -0.36 0.00 0.00 175.35 176.08 3hi1 n ASP 144 N 1.78 -7.10 -4.19 1.43 8.00 -0.49 -0.50 116.55 115.48 3hi1 n ASP 144 Ca -0.17 -0.37 -0.13 0.00 0.71 0.00 0.00 54.79 54.84 3hi1 n ASP 144 Cb 0.53 -5.14 -0.10 0.00 -0.02 0.00 0.00 41.12 36.39 3hi1 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3hi1 s TYR 145 N -3.18 1.04 -0.26 1.24 1.13 -0.91 -4.31 117.35 112.11 3hi1 s TYR 145 Ca 0.21 -0.79 -0.26 0.00 -1.41 0.00 0.00 57.07 54.82 3hi1 s TYR 145 Cb -0.03 -0.57 0.08 0.00 -1.10 0.00 0.00 41.96 40.35 3hi1 s TYR 145 CO 0.72 -0.04 0.80 0.12 -2.51 0.00 0.00 175.55 174.64 3hi1 s PHE 146 N -3.20 -0.69 0.00 -3.49 5.36 -0.29 -0.30 117.98 115.36 3hi1 s PHE 146 Ca 0.11 1.66 0.00 0.00 -0.96 0.00 0.00 56.93 57.74 3hi1 s PHE 146 Cb 0.02 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 3hi1 s PHE 146 CO -0.02 -0.36 0.00 -0.35 -1.46 0.00 0.00 175.22 173.03 3hi1 n PRO 147 N 2.41 1.57 -2.03 10.12 -0.04 -1.26 0.57 135.00 146.34 3hi1 n PRO 147 Ca -0.14 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.03 3hi1 n PRO 147 Cb 0.55 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.04 3hi1 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hi1 s GLU 148 N 0.34 3.13 0.54 0.54 2.02 -1.26 -4.79 118.70 119.23 3hi1 s GLU 148 Ca 0.00 0.44 0.07 0.00 0.02 0.00 0.00 54.97 55.50 3hi1 s GLU 148 Cb 0.00 -2.11 0.05 0.00 0.10 0.00 0.00 34.13 32.17 3hi1 s GLU 148 CO 0.00 -0.78 0.53 -1.25 0.02 0.00 0.00 175.26 173.78 3hi1 s PRO 149 N -5.20 2.29 0.35 0.39 0.04 -1.26 -4.90 135.00 126.71 3hi1 s PRO 149 Ca 0.56 -1.86 0.09 0.00 0.04 0.00 0.00 61.00 59.83 3hi1 s PRO 149 Cb -0.11 -2.30 -0.06 0.00 0.04 0.00 0.00 34.50 32.07 3hi1 s PRO 149 CO 0.51 -0.67 -0.07 0.14 0.04 0.00 0.00 177.00 176.95 3hi1 s VAL 150 N -2.72 2.28 -0.07 -0.36 -7.23 -1.26 -4.48 120.40 106.57 3hi1 s VAL 150 Ca 0.44 -2.16 -0.03 0.00 -1.81 0.00 0.00 61.98 58.42 3hi1 s VAL 150 Cb -0.03 -2.69 0.04 0.00 0.56 0.00 0.00 36.38 34.25 3hi1 s VAL 150 CO 0.27 -0.19 0.13 0.42 -0.31 0.00 0.00 175.10 175.42 3hi1 s THR 151 N -2.60 -0.20 0.09 5.32 -4.23 -0.42 -4.97 115.64 108.63 3hi1 s THR 151 Ca 0.33 0.37 0.02 0.00 -1.18 0.00 0.00 61.69 61.22 3hi1 s THR 151 Cb 0.03 -0.25 -0.04 0.00 1.34 0.00 0.00 72.50 73.58 3hi1 s THR 151 CO 0.17 0.15 0.17 -0.69 -0.54 0.00 0.00 174.62 173.88 3hi1 s VAL 152 N 2.18 5.01 0.21 2.29 1.01 -1.26 -1.11 120.40 128.73 3hi1 s VAL 152 Ca 0.03 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3hi1 s VAL 152 Cb -0.12 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.78 3hi1 s VAL 152 CO -0.05 0.09 0.28 -0.94 0.00 0.00 0.00 175.10 174.48 3hi1 s SER 153 N -2.60 0.05 -0.07 3.32 1.04 -0.48 -4.93 113.70 110.04 3hi1 s SER 153 Ca 0.33 -1.13 0.04 0.00 0.48 0.00 0.00 55.95 55.67 3hi1 s SER 153 Cb -0.12 0.46 -0.00 0.00 0.10 0.00 0.00 66.02 66.46 3hi1 s SER 153 CO 0.26 -0.95 -0.20 0.26 0.98 0.00 0.00 173.24 173.58 3hi1 s TRP 154 N -4.07 2.11 -1.53 5.02 0.52 -1.26 0.66 118.94 120.39 3hi1 s TRP 154 Ca 0.29 -0.72 -0.08 0.00 0.02 0.00 0.00 56.10 55.61 3hi1 s TRP 154 Cb 0.04 -1.42 0.07 0.00 -1.15 0.00 0.00 33.47 31.00 3hi1 s TRP 154 CO 0.09 -0.27 0.57 0.09 0.02 0.00 0.00 176.95 177.45 3hi1 n ASN 155 N 3.31 -1.65 -2.61 2.95 3.02 0.17 0.09 115.26 120.53 3hi1 n ASN 155 Ca -0.19 -1.01 -0.21 0.00 -0.03 0.00 0.00 54.58 53.14 3hi1 n ASN 155 Cb 0.52 -2.93 0.01 0.00 -0.61 0.00 0.00 39.78 36.78 3hi1 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hi1 n SER 156 N -2.85 -5.97 0.00 6.41 7.64 -1.26 -2.31 113.62 115.28 3hi1 n SER 156 Ca -0.14 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.61 3hi1 n SER 156 Cb 0.60 -4.90 0.00 0.00 -1.01 0.00 0.00 64.21 58.91 3hi1 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hi1 n GLY 157 N -1.23 0.51 0.17 0.23 0.00 0.11 -4.90 105.19 100.09 3hi1 n GLY 157 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 3hi1 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hi1 h ALA 158 N 0.00 -0.34 -2.15 4.61 0.00 -1.19 -3.40 119.26 116.79 3hi1 h ALA 158 Ca 0.00 -0.16 -0.59 0.00 0.00 0.00 0.00 54.91 54.16 3hi1 h ALA 158 Cb 0.07 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.90 3hi1 h ALA 158 CO 0.00 -0.56 0.59 -1.17 0.00 0.00 0.00 179.25 178.11 3hi1 s LEU 159 N -9.67 4.05 0.00 0.00 2.96 -1.11 -4.88 118.68 110.03 3hi1 s LEU 159 Ca -0.15 0.96 0.00 0.00 -0.22 0.00 0.00 54.13 54.72 3hi1 s LEU 159 Cb 0.03 -3.30 0.00 0.00 0.50 0.00 0.00 46.19 43.42 3hi1 s LEU 159 CO 0.60 -0.67 0.00 0.35 -1.32 0.00 0.00 176.35 175.31 3hi1 n THR 160 N 5.52 0.00 -2.95 3.68 -2.24 -1.26 -4.06 114.28 112.97 3hi1 n THR 160 Ca 0.08 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.49 3hi1 n THR 160 Cb 0.47 -0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 3hi1 n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3hi1 s SER 161 N -3.76 7.19 0.00 3.42 1.04 -1.26 -3.28 113.70 117.05 3hi1 s SER 161 Ca 0.00 1.61 0.00 0.00 0.48 0.00 0.00 55.95 58.04 3hi1 s SER 161 Cb 0.00 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.63 3hi1 s SER 161 CO 0.00 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.81 3hi1 n GLY 162 N 0.64 0.86 3.76 7.32 0.00 -1.26 -4.82 105.19 111.68 3hi1 n GLY 162 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3hi1 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hi1 s VAL 163 N -3.04 4.98 -0.10 1.61 1.01 -1.20 -2.45 120.40 121.20 3hi1 s VAL 163 Ca 0.00 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.17 3hi1 s VAL 163 Cb 0.00 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3hi1 s VAL 163 CO 0.00 0.40 -0.12 -1.00 0.00 0.00 0.00 175.10 174.38 3hi1 s HIS 164 N -0.01 1.66 -0.19 5.22 3.76 0.24 -4.97 115.29 120.99 3hi1 s HIS 164 Ca 0.30 -0.75 -0.03 0.00 -0.15 0.00 0.00 55.06 54.43 3hi1 s HIS 164 Cb -0.17 -1.25 -0.02 0.00 1.11 0.00 0.00 32.58 32.25 3hi1 s HIS 164 CO 0.16 -0.43 -0.05 0.99 -0.85 0.00 0.00 174.74 174.56 3hi1 s THR 165 N 1.10 3.54 0.30 1.30 2.01 -1.26 0.45 115.64 123.08 3hi1 s THR 165 Ca -0.06 -0.46 -0.16 0.00 0.31 0.00 0.00 61.69 61.32 3hi1 s THR 165 Cb -0.14 -2.58 -0.09 0.00 0.01 0.00 0.00 72.50 69.70 3hi1 s THR 165 CO -0.02 0.45 0.74 -0.36 -0.69 0.00 0.00 174.62 174.74 3hi1 s PHE 166 N 0.97 3.45 0.37 4.92 0.08 -0.53 -5.00 117.98 122.23 3hi1 s PHE 166 Ca -0.00 1.28 -0.25 0.00 0.12 0.00 0.00 56.93 58.07 3hi1 s PHE 166 Cb -0.15 -2.57 -0.12 0.00 -0.57 0.00 0.00 43.02 39.61 3hi1 s PHE 166 CO 0.01 0.16 0.89 -2.30 -0.10 0.00 0.00 175.22 173.88 3hi1 n PRO 167 N -0.05 1.14 -1.69 0.24 -0.02 -1.26 -4.56 135.00 128.79 3hi1 n PRO 167 Ca 0.02 0.40 -0.33 0.00 -2.02 0.00 0.00 63.50 61.58 3hi1 n PRO 167 Cb 0.53 -1.82 0.05 0.00 -0.02 0.00 0.00 33.50 32.24 3hi1 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hi1 s ALA 168 N -1.23 2.43 0.06 3.55 0.00 -1.26 -4.80 121.76 120.51 3hi1 s ALA 168 Ca 0.62 0.53 0.09 0.00 0.00 0.00 0.00 51.96 53.19 3hi1 s ALA 168 Cb -0.63 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.14 3hi1 s ALA 168 CO 0.58 -1.35 -0.25 0.14 0.00 0.00 0.00 175.76 174.87 3hi1 s VAL 169 N -2.39 2.07 -0.35 0.00 -7.23 -0.53 -4.93 120.40 107.04 3hi1 s VAL 169 Ca 0.67 -1.43 -0.21 0.00 -1.81 0.00 0.00 61.98 59.19 3hi1 s VAL 169 Cb -0.20 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 34.95 3hi1 s VAL 169 CO 0.43 0.28 0.69 -0.22 -0.31 0.00 0.00 175.10 175.98 3hi1 s LEU 170 N -1.39 4.20 0.37 1.32 2.96 -1.26 -1.57 118.68 123.31 3hi1 s LEU 170 Ca 0.11 0.25 -0.24 0.00 -0.22 0.00 0.00 54.13 54.03 3hi1 s LEU 170 Cb -0.10 -2.88 -0.10 0.00 0.50 0.00 0.00 46.19 43.61 3hi1 s LEU 170 CO 0.03 -0.64 0.95 -1.10 -1.32 0.00 0.00 176.35 174.27 3hi1 s GLN 171 N 2.85 4.42 0.39 1.98 -0.21 0.24 -4.89 119.66 124.44 3hi1 s GLN 171 Ca 0.27 1.25 0.14 0.00 0.02 0.00 0.00 55.36 57.04 3hi1 s GLN 171 Cb -0.14 -2.53 0.76 0.00 1.00 0.00 0.00 33.01 32.10 3hi1 s GLN 171 CO 0.15 0.13 1.33 0.66 -2.12 0.00 0.00 175.29 175.45 3hi1 h SER 172 N 2.61 0.00 0.71 5.90 4.64 -1.96 0.95 113.55 126.40 3hi1 h SER 172 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3hi1 h SER 172 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3hi1 h SER 172 CO 0.63 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 3hi1 n SER 173 N -2.18 0.00 0.00 4.97 3.41 -1.26 -4.86 113.62 113.70 3hi1 n SER 173 Ca -0.01 0.47 0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3hi1 n SER 173 Cb 0.40 -0.49 0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3hi1 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hi1 n GLY 174 N 0.68 0.72 3.55 5.00 0.00 0.33 -5.05 105.19 110.42 3hi1 n GLY 174 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3hi1 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hi1 s LEU 175 N 0.00 2.96 0.61 0.99 1.43 -1.22 -4.90 118.68 118.55 3hi1 s LEU 175 Ca 0.00 -0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3hi1 s LEU 175 Cb 0.00 -1.76 -0.00 0.00 0.03 0.00 0.00 46.19 44.46 3hi1 s LEU 175 CO 0.00 0.20 0.95 -0.31 0.23 0.00 0.00 176.35 177.42 3hi1 s TYR 176 N -1.15 3.35 -0.28 0.29 1.51 0.60 -0.59 117.35 121.07 3hi1 s TYR 176 Ca 0.20 0.83 -0.17 0.00 -1.01 0.00 0.00 57.07 56.92 3hi1 s TYR 176 Cb -0.11 -2.77 0.09 0.00 -0.11 0.00 0.00 41.96 39.07 3hi1 s TYR 176 CO 0.12 -0.84 0.76 0.45 -1.11 0.00 0.00 175.55 174.93 3hi1 s SER 177 N -4.28 -0.83 0.19 2.29 0.15 -0.61 -1.39 113.70 109.22 3hi1 s SER 177 Ca 0.54 1.35 -0.01 0.00 0.70 0.00 0.00 55.95 58.53 3hi1 s SER 177 Cb -0.11 1.34 -0.04 0.00 -1.71 0.00 0.00 66.02 65.51 3hi1 s SER 177 CO 0.48 -0.22 0.12 -1.48 1.20 0.00 0.00 173.24 173.34 3hi1 s LEU 178 N 1.44 1.25 0.06 3.45 0.05 -0.19 -1.45 118.68 123.28 3hi1 s LEU 178 Ca -0.09 -1.34 0.06 0.00 0.05 0.00 0.00 54.13 52.80 3hi1 s LEU 178 Cb -0.05 0.40 -0.03 0.00 -2.05 0.00 0.00 46.19 44.46 3hi1 s LEU 178 CO -0.17 -0.83 -0.15 -0.94 -0.55 0.00 0.00 176.35 173.71 3hi1 s SER 179 N -3.14 1.84 -0.04 1.48 1.04 -1.26 -0.40 113.70 113.22 3hi1 s SER 179 Ca 0.36 -0.56 0.06 0.00 0.48 0.00 0.00 55.95 56.29 3hi1 s SER 179 Cb 0.07 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.09 3hi1 s SER 179 CO 0.10 -0.00 -0.22 -0.55 0.98 0.00 0.00 173.24 173.55 3hi1 s SER 180 N -1.49 2.67 0.14 7.02 0.15 -0.34 -1.46 113.70 120.39 3hi1 s SER 180 Ca 0.01 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.26 3hi1 s SER 180 Cb -0.09 -0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 63.55 3hi1 s SER 180 CO 0.02 0.22 -0.07 0.68 1.20 0.00 0.00 173.24 175.29 3hi1 s VAL 181 N -0.19 0.97 0.03 4.45 -7.23 0.17 -0.08 120.40 118.52 3hi1 s VAL 181 Ca -0.01 -2.01 -0.11 0.00 -1.81 0.00 0.00 61.98 58.03 3hi1 s VAL 181 Cb -0.12 -1.87 0.01 0.00 0.56 0.00 0.00 36.38 34.96 3hi1 s VAL 181 CO 0.02 -0.72 0.24 0.54 -0.31 0.00 0.00 175.10 174.87 3hi1 s VAL 182 N -3.46 0.09 -0.03 1.32 0.11 -0.50 0.79 120.40 118.72 3hi1 s VAL 182 Ca 0.17 -0.72 0.04 0.00 -2.93 0.00 0.00 61.98 58.54 3hi1 s VAL 182 Cb 0.04 -0.80 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 3hi1 s VAL 182 CO 0.00 -0.40 -0.15 0.42 -3.33 0.00 0.00 175.10 171.64 3hi1 s THR 183 N -2.16 3.01 -0.04 5.04 -4.23 -1.03 -2.04 115.64 114.19 3hi1 s THR 183 Ca -0.08 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.50 3hi1 s THR 183 Cb -0.03 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.63 3hi1 s THR 183 CO -0.01 0.53 0.25 0.68 -0.54 0.00 0.00 174.62 175.54 3hi1 s VAL 184 N -0.78 0.04 0.19 2.29 -7.23 0.31 -4.84 120.40 110.38 3hi1 s VAL 184 Ca 0.12 -0.34 -0.33 0.00 -1.81 0.00 0.00 61.98 59.62 3hi1 s VAL 184 Cb -0.11 -0.48 -0.14 0.00 0.56 0.00 0.00 36.38 36.21 3hi1 s VAL 184 CO 0.02 -0.19 1.48 -0.81 -0.31 0.00 0.00 175.10 175.29 3hi1 n PRO 185 N 1.96 2.00 -0.33 4.82 -0.04 -1.26 -0.09 135.00 142.07 3hi1 n PRO 185 Ca -0.18 0.72 0.02 0.00 -0.04 0.00 0.00 63.50 64.01 3hi1 n PRO 185 Cb 0.57 -2.42 0.16 0.00 -0.04 0.00 0.00 33.50 31.76 3hi1 n PRO 185 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3hi1 h SER 186 N 5.05 0.89 -1.07 3.54 0.02 -1.46 -1.20 113.55 119.33 3hi1 h SER 186 Ca -0.45 0.02 0.33 0.00 -0.84 0.00 0.00 61.79 60.85 3hi1 h SER 186 Cb 1.27 -0.17 -0.13 0.00 0.14 0.00 0.00 62.40 63.51 3hi1 h SER 186 CO 0.82 0.56 0.64 0.77 -1.14 0.00 0.00 176.83 178.48 3hi1 h SER 187 N 1.02 0.47 1.14 3.07 4.64 -1.90 -0.50 113.55 121.49 3hi1 h SER 187 Ca 0.40 0.16 -0.03 0.00 -0.47 0.00 0.00 61.79 61.85 3hi1 h SER 187 Cb 0.20 0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3hi1 h SER 187 CO -0.18 -0.09 -0.16 0.77 -0.87 0.00 0.00 176.83 176.30 3hi1 h SER 188 N 0.31 0.00 -1.05 4.97 4.64 -1.58 -3.30 113.55 117.54 3hi1 h SER 188 Ca 0.72 0.00 0.28 0.00 -0.47 0.00 0.00 61.79 62.33 3hi1 h SER 188 Cb 1.78 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.76 3hi1 h SER 188 CO -0.51 0.16 0.65 -0.07 -0.87 0.00 0.00 176.83 176.18 3hi1 h LEU 189 N 0.00 0.51 -0.22 5.97 3.38 -1.17 -0.29 115.31 123.48 3hi1 h LEU 189 Ca -0.00 0.12 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 3hi1 h LEU 189 Cb 0.77 0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 3hi1 h LEU 189 CO 0.02 0.03 -0.90 1.23 0.09 0.00 0.00 178.44 178.92 3hi1 h GLY 190 N 0.41 0.42 0.00 0.83 0.00 -1.76 -3.40 103.07 99.58 3hi1 h GLY 190 Ca 0.65 -0.72 -0.34 0.00 0.00 0.00 0.00 47.33 46.93 3hi1 h GLY 190 CO -0.41 0.63 -2.11 -1.30 0.00 0.00 0.00 176.54 173.36 3hi1 n THR 191 N -3.75 1.52 -2.22 4.70 -2.24 -0.85 -4.98 114.28 106.47 3hi1 n THR 191 Ca -0.06 -0.24 -0.40 0.00 -2.27 0.00 0.00 64.05 61.08 3hi1 n THR 191 Cb 0.81 -2.01 -0.03 0.00 -2.10 0.00 0.00 70.33 67.00 3hi1 n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3hi1 s GLN 192 N -2.61 4.38 -0.06 -0.78 2.00 -0.18 -5.04 119.66 117.38 3hi1 s GLN 192 Ca -0.36 2.07 0.00 0.00 -2.00 0.00 0.00 55.36 55.08 3hi1 s GLN 192 Cb 0.12 -3.05 -0.03 0.00 0.80 0.00 0.00 33.01 30.85 3hi1 s GLN 192 CO 0.47 -0.11 -0.04 -0.08 -0.50 0.00 0.00 175.29 175.03 3hi1 s THR 193 N -1.18 3.96 -0.15 -0.34 -1.32 -1.26 -4.72 115.64 110.63 3hi1 s THR 193 Ca 0.49 -0.46 0.01 0.00 -1.21 0.00 0.00 61.69 60.52 3hi1 s THR 193 Cb -0.37 -2.67 0.02 0.00 -1.51 0.00 0.00 72.50 67.97 3hi1 s THR 193 CO 0.48 0.54 -0.17 -0.31 -2.21 0.00 0.00 174.62 172.96 3hi1 s TYR 194 N -0.90 2.35 -0.09 9.09 1.51 -1.26 -4.95 117.35 123.11 3hi1 s TYR 194 Ca 0.14 -1.30 0.01 0.00 -1.01 0.00 0.00 57.07 54.91 3hi1 s TYR 194 Cb -0.11 -1.68 0.02 0.00 -0.11 0.00 0.00 41.96 40.07 3hi1 s TYR 194 CO 0.04 -0.67 -0.12 0.42 -1.11 0.00 0.00 175.55 174.11 3hi1 s ILE 195 N 1.29 1.19 0.12 2.71 1.09 -1.26 -0.57 121.20 125.77 3hi1 s ILE 195 Ca 0.02 -0.47 -0.12 0.00 -1.10 0.00 0.00 60.65 58.98 3hi1 s ILE 195 Cb -0.13 -1.12 -0.06 0.00 -1.06 0.00 0.00 42.46 40.09 3hi1 s ILE 195 CO -0.09 0.38 0.48 0.00 -0.10 0.00 0.00 174.94 175.60 3hi1 s ASN 197 N -1.76 4.92 -0.21 0.00 -0.87 0.21 -2.30 114.94 114.94 3hi1 s ASN 197 Ca 0.36 -1.43 -0.09 0.00 -1.57 0.00 0.00 52.86 50.13 3hi1 s ASN 197 Cb -0.14 -1.72 -0.05 0.00 -0.02 0.00 0.00 41.25 39.32 3hi1 s ASN 197 CO 0.19 -0.30 0.12 -0.69 -2.57 0.00 0.00 177.10 173.84 3hi1 s VAL 198 N 1.22 5.17 -0.11 1.60 1.01 0.12 -1.38 120.40 128.02 3hi1 s VAL 198 Ca -0.03 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.09 3hi1 s VAL 198 Cb -0.20 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.80 3hi1 s VAL 198 CO -0.02 0.41 -0.20 0.20 0.00 0.00 0.00 175.10 175.49 3hi1 s ASN 199 N 0.65 3.45 -0.52 3.32 0.01 -0.27 -0.57 114.94 121.02 3hi1 s ASN 199 Ca 0.06 -0.46 0.04 0.00 -0.71 0.00 0.00 52.86 51.79 3hi1 s ASN 199 Cb -0.12 -1.44 0.16 0.00 0.41 0.00 0.00 41.25 40.25 3hi1 s ASN 199 CO 0.01 0.17 0.36 -2.28 -1.51 0.00 0.00 177.10 173.85 3hi1 s HIS 200 N 0.30 2.25 0.19 2.20 5.65 -0.14 -1.30 115.29 124.45 3hi1 s HIS 200 Ca -0.15 -2.71 -0.15 0.00 0.25 0.00 0.00 55.06 52.31 3hi1 s HIS 200 Cb -0.17 -1.87 0.18 0.00 -1.18 0.00 0.00 32.58 29.53 3hi1 s HIS 200 CO 0.07 -0.72 1.64 0.87 -0.65 0.00 0.00 174.74 175.96 3hi1 h LYS 201 N 5.95 -0.01 -1.32 2.88 1.79 -1.78 -1.45 116.57 122.63 3hi1 h LYS 201 Ca 0.13 0.00 0.38 0.00 -2.18 0.00 0.00 60.65 58.98 3hi1 h LYS 201 Cb 0.86 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.45 3hi1 h LYS 201 CO 0.53 -0.00 0.93 -1.35 -1.08 0.00 0.00 179.45 178.47 3hi1 h PRO 202 N -0.01 0.07 -0.25 3.15 0.11 -1.92 0.22 132.00 133.37 3hi1 h PRO 202 Ca 0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3hi1 h PRO 202 Cb 0.40 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3hi1 h PRO 202 CO -0.56 0.04 0.00 -1.13 -0.21 0.00 0.00 178.00 176.15 3hi1 n SER 203 N -4.26 2.61 -2.37 -2.05 3.41 -0.60 -4.96 113.62 105.41 3hi1 n SER 203 Ca 0.30 -1.86 -0.19 0.00 -0.26 0.00 0.00 58.87 56.85 3hi1 n SER 203 Cb 1.35 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 65.14 3hi1 n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3hi1 n ASN 204 N 0.47 -5.55 -4.69 4.04 3.02 0.78 -4.92 115.26 108.41 3hi1 n ASN 204 Ca 0.10 -0.11 -0.35 0.00 -0.03 0.00 0.00 54.58 54.19 3hi1 n ASN 204 Cb 0.37 -4.52 -0.09 0.00 -0.61 0.00 0.00 39.78 34.94 3hi1 n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hi1 s THR 205 N -3.01 4.91 -0.09 3.41 2.01 -0.97 -5.01 115.64 116.90 3hi1 s THR 205 Ca 0.10 0.00 -0.01 0.00 0.31 0.00 0.00 61.69 62.09 3hi1 s THR 205 Cb -0.04 -3.19 0.03 0.00 0.01 0.00 0.00 72.50 69.31 3hi1 s THR 205 CO 0.12 0.50 -0.03 -0.75 -0.69 0.00 0.00 174.62 173.78 3hi1 s LYS 206 N -0.02 0.94 -0.03 4.92 2.20 -1.26 -0.96 119.74 125.54 3hi1 s LYS 206 Ca 0.07 -0.04 0.06 0.00 -0.36 0.00 0.00 55.97 55.70 3hi1 s LYS 206 Cb -0.12 -1.23 -0.01 0.00 -1.51 0.00 0.00 37.83 34.96 3hi1 s LYS 206 CO 0.01 -0.30 -0.20 0.08 -0.36 0.00 0.00 175.35 174.58 3hi1 s VAL 207 N 1.87 1.60 -0.27 4.02 1.01 0.27 -4.98 120.40 123.93 3hi1 s VAL 207 Ca 0.05 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.20 3hi1 s VAL 207 Cb -0.12 -1.34 0.07 0.00 0.00 0.00 0.00 36.38 34.98 3hi1 s VAL 207 CO -0.06 0.45 -0.05 -1.81 0.00 0.00 0.00 175.10 173.64 3hi1 s ASP 208 N -0.34 4.28 -0.18 3.32 -0.00 -1.26 0.11 116.67 122.59 3hi1 s ASP 208 Ca 0.04 -1.49 -0.07 0.00 -0.00 0.00 0.00 52.55 51.04 3hi1 s ASP 208 Cb -0.09 -1.39 -0.04 0.00 -0.00 0.00 0.00 42.92 41.40 3hi1 s ASP 208 CO 0.00 -0.26 0.06 -0.75 -0.00 0.00 0.00 175.17 174.22 3hi1 s LYS 209 N 1.20 3.95 -0.19 8.23 2.47 -0.97 -4.96 119.74 129.46 3hi1 s LYS 209 Ca -0.03 -0.36 -0.27 0.00 -1.56 0.00 0.00 55.97 53.75 3hi1 s LYS 209 Cb -0.19 -3.20 -0.01 0.00 -1.46 0.00 0.00 37.83 32.97 3hi1 s LYS 209 CO -0.07 0.26 0.92 0.21 0.16 0.00 0.00 175.35 176.82 3hi1 s LYS 210 N 0.41 4.29 -0.18 4.03 2.20 -1.26 -2.00 119.74 127.22 3hi1 s LYS 210 Ca 0.03 1.16 -0.07 0.00 -0.36 0.00 0.00 55.97 56.72 3hi1 s LYS 210 Cb -0.13 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 3hi1 s LYS 210 CO 0.01 -0.45 0.07 0.08 -0.36 0.00 0.00 175.35 174.70 3hi1 s VAL 211 N 2.55 4.86 0.18 4.02 1.01 0.27 -4.89 120.40 128.40 3hi1 s VAL 211 Ca 0.41 -0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 3hi1 s VAL 211 Cb -0.16 -3.18 0.04 0.00 0.00 0.00 0.00 36.38 33.07 3hi1 s VAL 211 CO 0.11 0.47 0.53 -1.83 0.00 0.00 0.00 175.10 174.38 3hi1 s GLU 212 N 0.27 1.34 0.21 2.72 -1.05 -1.26 -4.19 118.70 116.74 3hi1 s GLU 212 Ca 0.04 -0.78 -0.30 0.00 -0.15 0.00 0.00 54.97 53.78 3hi1 s GLU 212 Cb -0.12 0.53 -0.10 0.00 -0.44 0.00 0.00 34.13 34.00 3hi1 s GLU 212 CO 0.00 -0.57 1.43 -2.14 0.95 0.00 0.00 175.26 174.93 3hi1 s PRO 213 N -3.84 4.28 -0.22 -4.83 0.02 -1.26 -4.50 135.00 124.65 3hi1 s PRO 213 Ca 0.07 2.25 -0.21 0.00 0.02 0.00 0.00 61.00 63.12 3hi1 s PRO 213 Cb -0.01 -3.15 -0.02 0.00 0.02 0.00 0.00 34.50 31.34 3hi1 s PRO 213 CO -0.05 -0.42 0.65 -1.59 -0.33 0.00 0.00 177.00 175.25 3hi1 s LYS 214 N 0.07 4.18 0.00 5.54 -2.85 -1.26 -5.04 119.74 120.38 3hi1 s LYS 214 Ca 0.61 0.63 0.00 0.00 -1.00 0.00 0.00 55.97 56.21 3hi1 s LYS 214 Cb -0.41 -3.61 0.00 0.00 -2.06 0.00 0.00 37.83 31.76 3hi1 s LYS 214 CO 0.39 -0.32 0.00 -1.13 0.10 0.00 0.00 175.35 174.39