#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 3.59 -0.13 -3.67 1.01 -1.26 -5.04 121.20 115.69 3hi1 s ILE 2 Ca 0.00 1.01 0.01 0.00 0.00 0.00 0.00 60.65 61.66 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 -0.19 -0.13 -0.69 0.00 0.00 0.00 174.94 173.92 3hi1 s VAL 3 N -1.89 1.48 -0.27 2.92 1.01 -1.26 -4.94 120.40 117.46 3hi1 s VAL 3 Ca 0.68 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 3hi1 s VAL 3 Cb -0.19 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.76 3hi1 s VAL 3 CO 0.23 0.44 0.27 -0.76 0.00 0.00 0.00 175.10 175.28 3hi1 s LEU 4 N 1.40 4.05 -0.22 3.92 1.43 -1.26 -1.34 118.68 126.66 3hi1 s LEU 4 Ca 0.02 0.16 -0.04 0.00 -1.03 0.00 0.00 54.13 53.24 3hi1 s LEU 4 Cb -0.13 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 3hi1 s LEU 4 CO -0.08 -0.09 -0.04 -0.89 0.23 0.00 0.00 176.35 175.48 3hi1 s THR 5 N 1.78 3.43 0.67 5.49 2.01 -0.16 -4.04 115.64 124.82 3hi1 s THR 5 Ca 0.11 -0.48 -0.03 0.00 0.31 0.00 0.00 61.69 61.60 3hi1 s THR 5 Cb -0.16 -2.56 0.07 0.00 0.01 0.00 0.00 72.50 69.87 3hi1 s THR 5 CO 0.10 0.42 0.94 -1.10 -0.69 0.00 0.00 174.62 174.29 3hi1 s GLN 6 N 1.41 2.14 -0.00 4.92 -0.21 -1.26 -0.59 119.66 126.06 3hi1 s GLN 6 Ca 0.05 -0.62 -0.00 0.00 0.02 0.00 0.00 55.36 54.81 3hi1 s GLN 6 Cb -0.14 -2.30 -0.00 0.00 1.00 0.00 0.00 33.01 31.57 3hi1 s GLN 6 CO -0.02 -1.15 -0.00 1.03 -2.12 0.00 0.00 175.29 173.02 3hi1 h SER 7 N -0.40 0.00 -3.36 5.90 0.87 -1.42 -3.42 113.55 111.72 3hi1 h SER 7 Ca -0.42 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.49 3hi1 h SER 7 Cb 1.30 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 63.00 3hi1 h SER 7 CO 0.52 0.02 -0.74 -2.16 -0.53 0.00 0.00 176.83 173.94 3hi1 s PRO 8 N -1.03 3.39 0.19 2.24 0.04 -1.26 -4.89 135.00 133.67 3hi1 s PRO 8 Ca -0.00 -0.65 -0.25 0.00 0.04 0.00 0.00 61.00 60.14 3hi1 s PRO 8 Cb 0.00 -2.68 0.06 0.00 0.04 0.00 0.00 34.50 31.92 3hi1 s PRO 8 CO 0.00 0.25 1.52 0.41 0.04 0.00 0.00 177.00 179.22 3hi1 n GLY 9 N 3.43 -2.34 3.26 0.56 0.00 -1.26 -4.43 105.19 104.40 3hi1 n GLY 9 Ca -0.18 1.14 -0.27 0.00 0.00 0.00 0.00 46.02 46.72 3hi1 n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hi1 s THR 10 N -5.67 1.73 -0.04 2.61 2.01 -1.26 -1.48 115.64 113.53 3hi1 s THR 10 Ca -0.13 -1.14 -0.00 0.00 0.31 0.00 0.00 61.69 60.73 3hi1 s THR 10 Cb 0.15 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 71.20 3hi1 s THR 10 CO 0.65 0.30 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.65 3hi1 s LEU 11 N -1.00 0.95 -0.12 4.42 0.20 0.33 -4.94 118.68 118.51 3hi1 s LEU 11 Ca 0.08 -0.04 -0.01 0.00 0.69 0.00 0.00 54.13 54.85 3hi1 s LEU 11 Cb -0.09 -0.30 0.03 0.00 -0.43 0.00 0.00 46.19 45.41 3hi1 s LEU 11 CO 0.01 -0.13 -0.03 -0.55 -0.29 0.00 0.00 176.35 175.36 3hi1 s SER 12 N 1.35 2.25 0.27 3.68 0.15 -1.26 -0.38 113.70 119.75 3hi1 s SER 12 Ca -0.05 -0.39 -0.02 0.00 0.70 0.00 0.00 55.95 56.19 3hi1 s SER 12 Cb -0.13 -0.71 -0.02 0.00 -1.71 0.00 0.00 66.02 63.45 3hi1 s SER 12 CO -0.02 -0.18 0.32 -0.76 1.20 0.00 0.00 173.24 173.79 3hi1 s LEU 13 N 1.79 1.06 0.63 3.45 1.02 -0.57 -4.87 118.68 121.18 3hi1 s LEU 13 Ca 0.03 -1.39 -0.08 0.00 0.02 0.00 0.00 54.13 52.71 3hi1 s LEU 13 Cb -0.14 0.97 0.00 0.00 0.02 0.00 0.00 46.19 47.05 3hi1 s LEU 13 CO -0.07 -1.06 0.97 -0.44 0.02 0.00 0.00 176.35 175.77 3hi1 s SER 14 N -3.19 5.66 0.40 2.29 0.01 -1.26 -0.27 113.70 117.34 3hi1 s SER 14 Ca 0.34 0.95 -0.27 0.00 1.31 0.00 0.00 55.95 58.28 3hi1 s SER 14 Cb 0.03 -1.91 -0.09 0.00 0.21 0.00 0.00 66.02 64.26 3hi1 s SER 14 CO 0.16 -1.10 1.35 0.00 0.41 0.00 0.00 173.24 174.07 3hi1 s ALA 15 N -3.12 3.34 0.00 1.44 0.00 -1.26 -2.88 121.76 119.28 3hi1 s ALA 15 Ca 0.55 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.84 3hi1 s ALA 15 Cb -0.11 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.49 3hi1 s ALA 15 CO 0.48 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.75 3hi1 n GLY 16 N 0.64 3.22 3.79 0.00 0.00 0.15 -4.91 105.19 108.08 3hi1 n GLY 16 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 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 1.66 -0.17 1.61 2.02 -1.14 -4.33 118.70 117.86 3hi1 s GLU 17 Ca 0.00 0.52 -0.10 0.00 0.02 0.00 0.00 54.97 55.41 3hi1 s GLU 17 Cb 0.00 -1.88 -0.05 0.00 0.10 0.00 0.00 34.13 32.30 3hi1 s GLU 17 CO 0.00 -1.89 0.17 0.50 0.02 0.00 0.00 175.26 174.06 3hi1 s ARG 18 N -5.18 4.06 -0.15 1.61 3.52 -1.24 -1.03 118.95 120.54 3hi1 s ARG 18 Ca 0.62 -0.13 -0.04 0.00 -0.13 0.00 0.00 55.73 56.05 3hi1 s ARG 18 Cb -0.15 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.84 3hi1 s ARG 18 CO 0.54 0.39 -0.02 0.00 -0.81 0.00 0.00 175.30 175.40 3hi1 s ALA 19 N 0.09 3.10 -0.22 6.12 0.00 -0.04 -4.98 121.76 125.83 3hi1 s ALA 19 Ca 0.11 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.28 3hi1 s ALA 19 Cb -0.12 -1.59 0.05 0.00 0.00 0.00 0.00 23.12 21.46 3hi1 s ALA 19 CO 0.01 0.27 -0.11 0.99 0.00 0.00 0.00 175.76 176.92 3hi1 s THR 20 N 0.15 1.87 -0.14 0.00 2.01 -1.26 -1.48 115.64 116.79 3hi1 s THR 20 Ca -0.00 -1.23 -0.01 0.00 0.31 0.00 0.00 61.69 60.76 3hi1 s THR 20 Cb -0.13 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 3hi1 s THR 20 CO 0.02 0.13 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.21 3hi1 s LEU 21 N 1.28 2.79 0.32 4.42 1.02 -0.56 -4.86 118.68 123.09 3hi1 s LEU 21 Ca -0.03 -0.31 0.08 0.00 0.02 0.00 0.00 54.13 53.88 3hi1 s LEU 21 Cb -0.17 -1.64 -0.03 0.00 0.02 0.00 0.00 46.19 44.36 3hi1 s LEU 21 CO -0.08 0.15 0.23 -0.94 0.02 0.00 0.00 176.35 175.73 3hi1 s SER 22 N 0.43 5.16 -0.07 2.29 1.04 -1.26 -0.51 113.70 120.78 3hi1 s SER 22 Ca -0.09 -0.52 -0.03 0.00 0.48 0.00 0.00 55.95 55.80 3hi1 s SER 22 Cb -0.16 -0.99 0.04 0.00 0.10 0.00 0.00 66.02 65.01 3hi1 s SER 22 CO 0.05 -0.26 0.14 0.00 0.98 0.00 0.00 173.24 174.15 3hi1 s ARG 24 N 1.84 2.61 0.18 0.00 0.52 0.25 -0.81 118.95 123.53 3hi1 s ARG 24 Ca -0.02 -0.70 -0.13 0.00 -0.52 0.00 0.00 55.73 54.37 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 -0.06 -0.07 0.56 0.00 0.02 0.00 0.00 175.30 175.75 3hi1 s ALA 25 N 0.98 3.57 0.53 2.13 0.00 -0.33 -0.98 121.76 127.64 3hi1 s ALA 25 Ca -0.05 -0.17 0.31 0.00 0.00 0.00 0.00 51.96 52.05 3hi1 s ALA 25 Cb -0.15 -2.50 1.77 0.00 0.00 0.00 0.00 23.12 22.24 3hi1 s ALA 25 CO -0.03 0.47 2.20 0.66 0.00 0.00 0.00 175.76 179.06 3hi1 h SER 26 N 3.17 0.00 -3.05 0.00 4.64 -1.56 -3.45 113.55 113.31 3hi1 h SER 26 Ca -0.48 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.69 3hi1 h SER 26 Cb 1.18 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 3hi1 h SER 26 CO 0.67 0.04 -0.14 0.00 -0.87 0.00 0.00 176.83 176.53 3hi1 n GLN 27 N -3.65 0.56 -3.11 4.77 6.02 -1.26 -4.99 117.38 115.73 3hi1 n GLN 27 Ca -0.02 -1.00 -0.38 0.00 -0.01 0.00 0.00 57.00 55.59 3hi1 n GLN 27 Cb 0.14 0.64 -0.06 0.00 1.02 0.00 0.00 30.24 31.98 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 -1.71 7.17 -0.01 1.08 0.15 -1.26 -4.51 113.70 114.61 3hi1 s SER 27 Ca 0.08 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.19 3hi1 s SER 27 Cb 0.00 -2.43 0.01 0.00 -1.71 0.00 0.00 66.02 61.89 3hi1 s SER 27 CO 0.06 0.15 -0.01 -0.69 1.20 0.00 0.00 173.24 173.96 3hi1 s VAL 28 N -1.29 0.09 0.31 4.45 1.01 0.23 -4.99 120.40 120.20 3hi1 s VAL 28 Ca 0.37 -0.00 -0.29 0.00 0.00 0.00 0.00 61.98 62.06 3hi1 s VAL 28 Cb -0.20 -0.11 -0.10 0.00 0.00 0.00 0.00 36.38 35.98 3hi1 s VAL 28 CO 0.22 0.05 1.17 -0.55 0.00 0.00 0.00 175.10 175.99 3hi1 s SER 29 N 0.23 7.03 0.55 3.32 0.15 -1.26 -3.33 113.70 120.40 3hi1 s SER 29 Ca -0.02 2.41 0.30 0.00 0.70 0.00 0.00 55.95 59.34 3hi1 s SER 29 Cb -0.04 -2.63 1.58 0.00 -1.71 0.00 0.00 66.02 63.22 3hi1 s SER 29 CO -0.01 -0.32 2.11 0.28 1.20 0.00 0.00 173.24 176.50 3hi1 h SER 30 N 3.54 0.00 0.07 5.45 0.02 -1.92 -2.46 113.55 118.24 3hi1 h SER 30 Ca -0.48 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3hi1 h SER 30 Cb 1.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 3hi1 h SER 30 CO 0.66 0.09 -0.02 -0.09 -1.14 0.00 0.00 176.83 176.33 3hi1 h ARG 31 N 0.00 0.00 -0.02 3.45 2.43 -1.92 -2.72 114.38 115.60 3hi1 h ARG 31 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hi1 h ARG 31 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3hi1 h ARG 31 CO 0.01 0.02 -0.10 0.66 -1.51 0.00 0.00 179.97 179.05 3hi1 n TYR 32 N -3.69 0.00 -3.54 2.20 4.02 -0.93 -3.92 117.16 111.31 3hi1 n TYR 32 Ca -0.03 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.50 3hi1 n TYR 32 Cb 0.10 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.36 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 -1.74 4.27 0.11 7.72 2.96 -1.10 -2.92 118.68 127.97 3hi1 s LEU 33 Ca 0.20 0.56 0.02 0.00 -0.22 0.00 0.00 54.13 54.69 3hi1 s LEU 33 Cb 0.16 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 3hi1 s LEU 33 CO 0.30 0.13 -0.07 0.00 -1.32 0.00 0.00 176.35 175.38 3hi1 s ALA 34 N 0.28 1.06 0.07 5.97 0.00 0.76 -0.32 121.76 129.58 3hi1 s ALA 34 Ca 0.18 -1.37 0.09 0.00 0.00 0.00 0.00 51.96 50.85 3hi1 s ALA 34 Cb -0.13 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3hi1 s ALA 34 CO 0.05 -0.21 -0.24 -1.58 0.00 0.00 0.00 175.76 173.78 3hi1 s TRP 35 N -3.57 2.07 0.06 0.00 0.52 0.64 0.67 118.94 119.32 3hi1 s TRP 35 Ca 0.13 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.89 3hi1 s TRP 35 Cb 0.05 -1.20 -0.03 0.00 -1.15 0.00 0.00 33.47 31.14 3hi1 s TRP 35 CO -0.04 0.17 -0.12 0.71 0.02 0.00 0.00 176.95 177.69 3hi1 s TYR 36 N -0.90 1.01 -0.21 -1.98 2.02 0.19 -0.77 117.35 116.71 3hi1 s TYR 36 Ca 0.10 -0.46 -0.02 0.00 -0.37 0.00 0.00 57.07 56.31 3hi1 s TYR 36 Cb -0.10 -0.58 0.00 0.00 -0.40 0.00 0.00 41.96 40.88 3hi1 s TYR 36 CO 0.03 0.01 -0.09 -1.14 -1.57 0.00 0.00 175.55 172.79 3hi1 s GLN 37 N -1.62 3.26 -0.31 -0.62 0.74 -0.39 -1.15 119.66 119.57 3hi1 s GLN 37 Ca -0.04 -0.69 -0.02 0.00 0.05 0.00 0.00 55.36 54.66 3hi1 s GLN 37 Cb -0.10 -2.88 0.05 0.00 1.10 0.00 0.00 33.01 31.18 3hi1 s GLN 37 CO 0.02 -0.20 0.02 -1.14 -0.55 0.00 0.00 175.29 173.43 3hi1 s GLN 38 N 1.42 2.40 0.54 1.67 0.74 0.46 -1.16 119.66 125.73 3hi1 s GLN 38 Ca 0.06 -1.31 -0.16 0.00 0.05 0.00 0.00 55.36 54.00 3hi1 s GLN 38 Cb -0.14 -3.23 -0.07 0.00 1.10 0.00 0.00 33.01 30.68 3hi1 s GLN 38 CO -0.06 -0.66 1.00 0.15 -0.55 0.00 0.00 175.29 175.17 3hi1 s LYS 39 N 1.25 3.79 0.20 1.67 1.02 -1.26 -0.70 119.74 125.70 3hi1 s LYS 39 Ca -0.04 0.99 -0.32 0.00 0.02 0.00 0.00 55.97 56.63 3hi1 s LYS 39 Cb -0.20 -2.11 -0.11 0.00 -0.52 0.00 0.00 37.83 34.89 3hi1 s LYS 39 CO -0.01 -0.41 1.63 -2.14 -0.92 0.00 0.00 175.35 173.50 3hi1 s PRO 40 N -4.15 4.17 0.00 -1.68 0.02 -1.26 -1.99 135.00 130.11 3hi1 s PRO 40 Ca 0.60 2.48 0.00 0.00 0.02 0.00 0.00 61.00 64.09 3hi1 s PRO 40 Cb -0.11 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.30 3hi1 s PRO 40 CO 0.34 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 3hi1 n GLY 41 N 3.65 1.30 3.61 0.52 0.00 -1.26 -5.03 105.19 107.98 3hi1 n GLY 41 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.46 2.06 0.69 1.61 -0.21 -0.84 -5.13 119.66 117.38 3hi1 s GLN 42 Ca 0.00 -1.67 -0.14 0.00 0.02 0.00 0.00 55.36 53.57 3hi1 s GLN 42 Cb 0.00 -1.96 0.02 0.00 1.00 0.00 0.00 33.01 32.07 3hi1 s GLN 42 CO 0.00 0.22 1.12 0.00 -2.12 0.00 0.00 175.29 174.51 3hi1 s ALA 43 N -2.47 2.38 0.69 6.09 0.00 -1.26 -4.66 121.76 122.53 3hi1 s ALA 43 Ca 0.33 0.53 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 3hi1 s ALA 43 Cb -0.02 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3hi1 s ALA 43 CO 0.19 -1.45 1.23 -2.14 0.00 0.00 0.00 175.76 173.59 3hi1 s PRO 44 N -4.23 2.33 -0.07 0.00 0.02 -1.26 -4.64 135.00 127.15 3hi1 s PRO 44 Ca 0.67 1.86 0.05 0.00 0.02 0.00 0.00 61.00 63.60 3hi1 s PRO 44 Cb -0.21 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 3hi1 s PRO 44 CO 0.45 -1.72 -0.23 0.50 -0.33 0.00 0.00 177.00 175.67 3hi1 s ARG 45 N -3.70 2.52 0.12 5.54 3.52 -0.31 -4.94 118.95 121.70 3hi1 s ARG 45 Ca 0.77 -0.83 -0.31 0.00 -0.13 0.00 0.00 55.73 55.23 3hi1 s ARG 45 Cb -0.32 -2.06 -0.09 0.00 -1.56 0.00 0.00 34.95 30.91 3hi1 s ARG 45 CO 0.42 0.29 1.66 -1.17 -0.81 0.00 0.00 175.30 175.69 3hi1 s LEU 46 N 0.05 4.37 -0.14 -0.88 2.96 -1.26 -1.26 118.68 122.52 3hi1 s LEU 46 Ca -0.08 2.59 -0.14 0.00 -0.22 0.00 0.00 54.13 56.28 3hi1 s LEU 46 Cb -0.15 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 3hi1 s LEU 46 CO 0.05 -0.89 -0.28 -0.11 -1.32 0.00 0.00 176.35 173.80 3hi1 n LEU 47 N 4.99 1.74 -3.96 -0.68 7.94 0.05 -4.76 117.00 122.33 3hi1 n LEU 47 Ca 0.15 0.29 -0.20 0.00 -1.11 0.00 0.00 56.01 55.15 3hi1 n LEU 47 Cb 0.39 -0.66 -0.16 0.00 0.53 0.00 0.00 43.42 43.53 3hi1 n LEU 47 CO 0.63 -0.26 -0.43 -0.63 -1.11 0.00 0.00 177.39 175.59 3hi1 s ILE 48 N -2.68 0.68 0.25 1.96 -1.09 -1.02 -1.57 121.20 117.73 3hi1 s ILE 48 Ca -0.24 -0.28 0.11 0.00 -2.23 0.00 0.00 60.65 58.01 3hi1 s ILE 48 Cb 0.04 -0.63 -0.05 0.00 -1.58 0.00 0.00 42.46 40.25 3hi1 s ILE 48 CO 0.35 0.23 -0.19 -0.72 -1.23 0.00 0.00 174.94 173.38 3hi1 s TYR 49 N 0.38 2.11 -1.48 3.97 1.13 0.46 -0.26 117.35 123.67 3hi1 s TYR 49 Ca -0.06 -0.40 -0.12 0.00 -1.41 0.00 0.00 57.07 55.08 3hi1 s TYR 49 Cb -0.10 -0.94 0.06 0.00 -1.10 0.00 0.00 41.96 39.88 3hi1 s TYR 49 CO 0.00 0.60 0.98 0.41 -2.51 0.00 0.00 175.55 175.03 3hi1 n GLY 50 N -0.49 -0.51 5.00 5.49 0.00 -0.76 -0.80 105.19 113.11 3hi1 n GLY 50 Ca -0.06 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -4.62 0.00 -0.41 4.61 0.00 0.56 -3.82 120.51 116.84 3hi1 n ALA 51 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3hi1 n ALA 51 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 2.35 0.94 -4.67 0.00 3.41 -1.23 -3.24 113.62 111.19 3hi1 n SER 52 Ca 0.00 -1.35 -0.40 0.00 -0.26 0.00 0.00 58.87 56.86 3hi1 n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 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 -0.35 6.67 -0.04 4.04 0.01 0.02 -4.45 113.70 119.59 3hi1 s SER 53 Ca 0.00 0.82 -0.30 0.00 1.31 0.00 0.00 55.95 57.78 3hi1 s SER 53 Cb 0.00 -2.33 -0.03 0.00 0.21 0.00 0.00 66.02 63.86 3hi1 s SER 53 CO 0.00 -0.22 1.16 -0.60 0.41 0.00 0.00 173.24 173.98 3hi1 s ARG 54 N 1.69 4.39 0.72 12.44 3.52 -1.26 -0.40 118.95 140.05 3hi1 s ARG 54 Ca 0.28 1.63 -0.16 0.00 -0.13 0.00 0.00 55.73 57.35 3hi1 s ARG 54 Cb -0.16 -3.52 0.03 0.00 -1.56 0.00 0.00 34.95 29.75 3hi1 s ARG 54 CO 0.11 -0.37 1.24 0.00 -0.81 0.00 0.00 175.30 175.47 3hi1 n ALA 55 N 4.89 0.58 -1.76 6.12 0.00 -0.61 -4.90 120.51 124.83 3hi1 n ALA 55 Ca 0.10 -0.15 -0.37 0.00 0.00 0.00 0.00 53.44 53.02 3hi1 n ALA 55 Cb 0.47 -2.29 0.01 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.73 2.82 0.00 0.00 -4.23 -1.26 -2.71 115.64 108.53 3hi1 s THR 56 Ca 0.78 0.59 0.00 0.00 -1.18 0.00 0.00 61.69 61.88 3hi1 s THR 56 Cb -0.34 -3.28 0.00 0.00 1.34 0.00 0.00 72.50 70.22 3hi1 s THR 56 CO 0.45 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.10 3hi1 n GLY 57 N 0.48 2.91 3.70 3.99 0.00 -1.26 -5.00 105.19 110.02 3hi1 n GLY 57 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.82 4.54 0.21 -0.61 -1.09 -1.10 -4.99 121.20 116.35 3hi1 s ILE 58 Ca 0.00 1.83 -0.32 0.00 -2.23 0.00 0.00 60.65 59.93 3hi1 s ILE 58 Cb 0.00 -4.17 -0.14 0.00 -1.58 0.00 0.00 42.46 36.57 3hi1 s ILE 58 CO 0.00 0.10 1.42 -2.65 -1.23 0.00 0.00 174.94 172.58 3hi1 n PRO 59 N 4.27 1.94 0.00 2.79 -0.02 -1.26 -4.87 135.00 137.85 3hi1 n PRO 59 Ca 0.08 0.69 0.07 0.00 -2.02 0.00 0.00 63.50 62.32 3hi1 n PRO 59 Cb 0.49 -2.36 0.40 0.00 -0.02 0.00 0.00 33.50 32.00 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 2.43 0.00 0.00 2.55 5.75 -1.26 -2.33 116.55 123.69 3hi1 n ASP 60 Ca 0.13 -0.86 0.13 0.00 -0.01 0.00 0.00 54.79 54.19 3hi1 n ASP 60 Cb 0.30 0.00 0.79 0.00 -1.03 0.00 0.00 41.12 41.17 3hi1 n ASP 60 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 3hi1 n ARG 61 N -0.83 0.85 -3.98 0.11 1.85 -1.26 -4.65 116.66 108.75 3hi1 n ARG 61 Ca 0.10 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.59 3hi1 n ARG 61 Cb 0.05 -1.49 -0.07 0.00 -1.05 0.00 0.00 32.46 29.89 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 3.44 0.01 2.89 0.08 -0.98 -1.44 117.98 119.97 3hi1 s PHE 62 Ca 0.40 0.38 -0.07 0.00 0.12 0.00 0.00 56.93 57.75 3hi1 s PHE 62 Cb 0.18 -1.95 -0.00 0.00 -0.57 0.00 0.00 43.02 40.68 3hi1 s PHE 62 CO 0.31 0.56 0.13 -1.54 -0.10 0.00 0.00 175.22 174.57 3hi1 s SER 63 N -0.66 0.04 0.22 1.36 1.04 0.05 -4.98 113.70 110.77 3hi1 s SER 63 Ca 0.12 -0.25 0.10 0.00 0.48 0.00 0.00 55.95 56.40 3hi1 s SER 63 Cb -0.12 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 3hi1 s SER 63 CO 0.02 -0.39 -0.10 -0.83 0.98 0.00 0.00 173.24 172.93 3hi1 s GLY 64 N -1.48 1.73 0.23 7.32 0.00 -1.26 -0.61 107.32 113.25 3hi1 s GLY 64 Ca -0.14 -1.59 -0.22 0.00 0.00 0.00 0.00 44.72 42.77 3hi1 s GLY 64 CO 0.01 -1.63 0.86 -1.35 0.00 0.00 0.00 173.10 170.99 3hi1 s SER 65 N -3.12 -0.17 0.00 1.64 1.04 -0.51 -4.46 113.70 108.12 3hi1 s SER 65 Ca 0.27 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.12 3hi1 s SER 65 Cb -0.08 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.66 3hi1 s SER 65 CO 0.16 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.83 3hi1 n GLY 66 N -0.49 0.56 3.82 7.32 0.00 -1.26 -1.10 105.19 114.03 3hi1 n GLY 66 Ca -0.05 -1.91 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.96 -0.05 0.00 1.61 1.04 -0.79 -4.89 113.70 109.65 3hi1 s SER 67 Ca 0.00 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.98 3hi1 s SER 67 Cb 0.00 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.51 3hi1 s SER 67 CO 0.00 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3hi1 n GLY 68 N -0.63 1.71 0.00 7.32 0.00 -1.21 -2.94 105.19 109.45 3hi1 n GLY 68 Ca -0.04 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 0.75 114.28 109.94 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 -0.73 -0.13 0.00 -2.10 0.00 0.00 70.33 67.37 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 -2.51 4.75 0.08 3.42 1.11 -1.15 -1.19 116.67 121.18 3hi1 s ASP 70 Ca 0.00 -0.20 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 0.00 175.17 175.97 3hi1 s PHE 71 N 0.81 1.10 -0.04 4.23 0.40 0.01 -1.88 117.98 122.61 3hi1 s PHE 71 Ca -0.00 -0.54 -0.00 0.00 -0.60 0.00 0.00 56.93 55.79 3hi1 s PHE 71 Cb -0.14 -0.61 0.03 0.00 0.51 0.00 0.00 43.02 42.80 3hi1 s PHE 71 CO 0.02 0.03 0.02 0.99 0.70 0.00 0.00 175.22 176.98 3hi1 s THR 72 N -1.74 0.10 -0.07 0.64 2.01 -0.25 0.05 115.64 116.38 3hi1 s THR 72 Ca 0.00 0.19 -0.16 0.00 0.31 0.00 0.00 61.69 62.03 3hi1 s THR 72 Cb -0.07 -0.25 -0.05 0.00 0.01 0.00 0.00 72.50 72.14 3hi1 s THR 72 CO 0.01 0.16 0.43 -0.22 -0.69 0.00 0.00 174.62 174.31 3hi1 s LEU 73 N 1.41 4.37 -0.05 4.42 2.96 0.34 -1.42 118.68 130.70 3hi1 s LEU 73 Ca -0.04 0.86 0.02 0.00 -0.22 0.00 0.00 54.13 54.74 3hi1 s LEU 73 Cb -0.13 -2.62 0.02 0.00 0.50 0.00 0.00 46.19 43.96 3hi1 s LEU 73 CO -0.03 0.16 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.18 3hi1 s THR 74 N -0.17 0.85 -0.27 3.68 2.01 0.22 -1.49 115.64 120.47 3hi1 s THR 74 Ca 0.24 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.88 3hi1 s THR 74 Cb -0.16 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.56 3hi1 s THR 74 CO 0.11 0.29 0.02 -0.63 -0.69 0.00 0.00 174.62 173.72 3hi1 s ILE 75 N 0.76 3.54 0.02 1.82 1.01 -0.55 -0.77 121.20 127.03 3hi1 s ILE 75 Ca -0.13 -0.78 -0.24 0.00 0.00 0.00 0.00 60.65 59.50 3hi1 s ILE 75 Cb -0.15 -2.80 -0.17 0.00 0.01 0.00 0.00 42.46 39.35 3hi1 s ILE 75 CO 0.02 0.16 1.40 0.77 0.00 0.00 0.00 174.94 177.28 3hi1 h SER 76 N 8.14 0.10 -3.47 3.58 4.64 -1.55 -0.06 113.55 124.94 3hi1 h SER 76 Ca -0.33 -0.37 -0.61 0.00 -0.47 0.00 0.00 61.79 60.01 3hi1 h SER 76 Cb 1.12 -0.03 -0.40 0.00 -0.31 0.00 0.00 62.40 62.79 3hi1 h SER 76 CO 0.59 0.45 -0.74 -0.60 -0.87 0.00 0.00 176.83 175.66 3hi1 s ARG 77 N -4.71 1.18 0.31 4.77 3.52 -1.26 -3.64 118.95 119.12 3hi1 s ARG 77 Ca -0.15 -1.78 -0.29 0.00 -0.13 0.00 0.00 55.73 53.38 3hi1 s ARG 77 Cb 0.04 -2.35 -0.12 0.00 -1.56 0.00 0.00 34.95 30.95 3hi1 s ARG 77 CO 0.69 -1.10 1.40 0.28 -0.81 0.00 0.00 175.30 175.77 3hi1 n VAL 78 N 3.91 1.58 -4.13 7.11 0.31 -0.20 -4.65 118.33 122.26 3hi1 n VAL 78 Ca 0.05 -0.39 -0.23 0.00 -0.01 0.00 0.00 64.34 63.76 3hi1 n VAL 78 Cb 0.37 -1.68 -0.06 0.00 -0.91 0.00 0.00 33.84 31.55 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 -1.32 2.42 0.43 5.55 0.41 -1.26 -0.68 118.70 124.25 3hi1 s GLU 79 Ca 0.60 -1.46 0.09 0.00 -0.41 0.00 0.00 54.97 53.78 3hi1 s GLU 79 Cb -0.56 -2.22 0.93 0.00 -1.78 0.00 0.00 34.13 30.50 3hi1 s GLU 79 CO 0.57 0.19 2.06 -1.35 -0.49 0.00 0.00 175.26 176.24 3hi1 h PRO 80 N 1.60 0.39 -0.70 0.39 0.11 -1.87 -1.84 132.00 130.07 3hi1 h PRO 80 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hi1 h PRO 80 Cb 1.25 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hi1 h PRO 80 CO 0.62 0.29 0.00 -0.85 -0.21 0.00 0.00 178.00 177.85 3hi1 n GLU 81 N -4.46 3.30 0.00 1.05 0.00 -0.81 -3.63 120.64 116.09 3hi1 n GLU 81 Ca 0.01 -2.81 0.04 0.00 0.00 0.00 0.00 57.16 54.40 3hi1 n GLU 81 Cb 0.09 -1.76 0.24 0.00 0.00 0.00 0.00 31.44 30.02 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 1.41 0.00 -4.62 -1.84 8.00 -0.69 -4.78 116.55 114.03 3hi1 n ASP 82 Ca 0.26 -1.70 -0.43 0.00 0.71 0.00 0.00 54.79 53.62 3hi1 n ASP 82 Cb 0.78 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.85 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 1.84 0.12 1.24 5.36 -1.24 -4.90 117.98 118.39 3hi1 s PHE 83 Ca 0.12 0.51 -0.25 0.00 -0.96 0.00 0.00 56.93 56.35 3hi1 s PHE 83 Cb 0.06 -4.06 0.08 0.00 -0.34 0.00 0.00 43.02 38.76 3hi1 s PHE 83 CO 0.09 -3.23 1.07 0.00 -1.46 0.00 0.00 175.22 171.69 3hi1 s ALA 84 N 6.15 -1.80 -0.01 11.12 0.00 -1.23 -4.67 121.76 131.31 3hi1 s ALA 84 Ca 0.79 0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.78 3hi1 s ALA 84 Cb -0.26 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.44 3hi1 s ALA 84 CO 0.32 -1.06 0.25 0.08 0.00 0.00 0.00 175.76 175.36 3hi1 s VAL 85 N -2.72 5.32 -0.13 0.00 1.01 0.12 -1.39 120.40 122.62 3hi1 s VAL 85 Ca 0.16 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.37 3hi1 s VAL 85 Cb -0.00 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.84 3hi1 s VAL 85 CO 0.02 0.42 -0.16 -0.31 0.00 0.00 0.00 175.10 175.06 3hi1 s TYR 86 N -1.24 2.17 -0.09 5.22 1.51 -0.34 -0.40 117.35 124.17 3hi1 s TYR 86 Ca 0.25 -1.10 0.03 0.00 -1.01 0.00 0.00 57.07 55.25 3hi1 s TYR 86 Cb -0.13 -1.55 -0.01 0.00 -0.11 0.00 0.00 41.96 40.15 3hi1 s TYR 86 CO 0.14 -0.56 -0.19 0.71 -1.11 0.00 0.00 175.55 174.54 3hi1 s TYR 87 N 1.08 2.63 0.11 2.71 2.02 -0.30 -0.81 117.35 124.79 3hi1 s TYR 87 Ca -0.04 -0.69 -0.10 0.00 -0.37 0.00 0.00 57.07 55.87 3hi1 s TYR 87 Cb -0.14 -1.71 -0.06 0.00 -0.40 0.00 0.00 41.96 39.64 3hi1 s TYR 87 CO -0.04 -0.21 0.44 0.00 -1.57 0.00 0.00 175.55 174.17 3hi1 s GLN 89 N -2.05 0.34 0.03 0.00 -0.44 0.21 -0.64 119.66 117.11 3hi1 s GLN 89 Ca 0.36 -0.66 -0.03 0.00 -2.50 0.00 0.00 55.36 52.53 3hi1 s GLN 89 Cb -0.14 0.12 -0.02 0.00 -1.64 0.00 0.00 33.01 31.33 3hi1 s GLN 89 CO 0.19 -0.06 0.03 1.14 0.50 0.00 0.00 175.29 177.10 3hi1 s GLN 90 N -1.67 0.51 -0.17 1.67 1.03 -0.31 -0.17 119.66 120.54 3hi1 s GLN 90 Ca -0.14 -0.80 0.01 0.00 0.04 0.00 0.00 55.36 54.47 3hi1 s GLN 90 Cb -0.08 0.19 0.03 0.00 0.03 0.00 0.00 33.01 33.17 3hi1 s GLN 90 CO -0.02 -0.11 -0.14 -0.47 -2.54 0.00 0.00 175.29 172.01 3hi1 s TYR 91 N -2.50 2.38 -0.13 9.60 5.04 -1.15 -0.98 117.35 129.61 3hi1 s TYR 91 Ca -0.06 -1.44 -0.15 0.00 -2.44 0.00 0.00 57.07 52.98 3hi1 s TYR 91 Cb -0.02 -1.68 0.04 0.00 0.35 0.00 0.00 41.96 40.65 3hi1 s TYR 91 CO -0.04 -0.72 0.41 0.34 -1.34 0.00 0.00 175.55 174.19 3hi1 s ASP 92 N 1.41 -0.41 -1.33 4.32 2.15 -0.00 -4.88 116.67 117.93 3hi1 s ASP 92 Ca 0.03 0.73 -0.08 0.00 0.43 0.00 0.00 52.55 53.66 3hi1 s ASP 92 Cb -0.14 0.77 0.01 0.00 -0.30 0.00 0.00 42.92 43.26 3hi1 s ASP 92 CO -0.10 -0.20 1.16 -3.20 -0.17 0.00 0.00 175.17 172.65 3hi1 n ASN 93 N 2.57 -5.88 -0.19 -0.34 5.15 -1.26 -1.49 115.26 113.82 3hi1 n ASN 93 Ca -0.15 -0.54 -0.03 0.00 -0.60 0.00 0.00 54.58 53.27 3hi1 n ASN 93 Cb 0.57 -5.01 -0.01 0.00 -0.53 0.00 0.00 39.78 34.80 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 -3.00 -4.58 -3.95 1.20 7.64 -1.26 -4.97 113.62 104.71 3hi1 n SER 94 Ca -0.02 0.06 -0.17 0.00 1.01 0.00 0.00 58.87 59.75 3hi1 n SER 94 Cb 0.57 -2.30 -0.15 0.00 -1.01 0.00 0.00 64.21 61.32 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 -1.67 0.48 -0.30 0.44 1.01 -0.55 -5.13 120.40 114.67 3hi1 s VAL 95 Ca 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.72 3hi1 s VAL 95 Cb 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 36.38 35.98 3hi1 s VAL 95 CO 0.00 0.15 0.04 0.00 0.00 0.00 0.00 175.10 175.30 3hi1 s THR 97 N 1.36 3.33 0.23 0.00 -4.23 -0.15 -4.96 115.64 111.22 3hi1 s THR 97 Ca -0.02 -1.79 0.11 0.00 -1.18 0.00 0.00 61.69 58.81 3hi1 s THR 97 Cb -0.19 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 70.89 3hi1 s THR 97 CO 0.00 -0.25 -0.16 -0.36 -0.54 0.00 0.00 174.62 173.31 3hi1 s PHE 98 N -2.04 2.42 0.96 3.99 0.40 -1.26 -1.16 117.98 121.29 3hi1 s PHE 98 Ca 0.28 -0.30 -0.14 0.00 -0.60 0.00 0.00 56.93 56.17 3hi1 s PHE 98 Cb -0.08 -1.13 0.17 0.00 0.51 0.00 0.00 43.02 42.50 3hi1 s PHE 98 CO 0.18 0.60 1.17 0.20 0.70 0.00 0.00 175.22 178.06 3hi1 s GLY 99 N -3.14 1.61 0.00 4.36 0.00 0.19 -4.49 107.32 105.84 3hi1 s GLY 99 Ca 0.26 -0.70 0.31 0.00 0.00 0.00 0.00 44.72 44.59 3hi1 s GLY 99 CO 0.14 -0.07 2.06 0.61 0.00 0.00 0.00 173.10 175.84 3hi1 n GLN 100 N -3.89 1.14 0.00 2.90 0.00 -1.26 -4.78 117.38 111.49 3hi1 n GLN 100 Ca 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 57.00 56.80 3hi1 n GLN 100 Cb 0.59 -1.49 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 1.08 0.68 3.01 2.61 0.00 -1.26 -4.99 105.19 106.33 3hi1 n GLY 101 Ca 0.21 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.98 1.56 -0.16 2.61 2.01 0.01 -4.72 115.64 113.95 3hi1 s THR 102 Ca 0.00 -0.63 -0.29 0.00 0.31 0.00 0.00 61.69 61.07 3hi1 s THR 102 Cb 0.00 -1.47 -0.00 0.00 0.01 0.00 0.00 72.50 71.04 3hi1 s THR 102 CO 0.00 0.45 1.03 -0.75 -0.69 0.00 0.00 174.62 174.65 3hi1 s LYS 103 N 1.49 4.34 -0.30 4.92 2.20 -0.55 -1.20 119.74 130.64 3hi1 s LYS 103 Ca 0.05 1.38 -0.11 0.00 -0.36 0.00 0.00 55.97 56.93 3hi1 s LYS 103 Cb -0.13 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 3hi1 s LYS 103 CO -0.11 -0.47 0.19 -1.17 -0.36 0.00 0.00 175.35 173.44 3hi1 s LEU 104 N 2.59 4.14 0.08 5.43 2.96 -0.48 -0.51 118.68 132.88 3hi1 s LEU 104 Ca 0.46 -0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.25 3hi1 s LEU 104 Cb -0.17 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 3hi1 s LEU 104 CO 0.12 -0.11 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.39 3hi1 s GLU 105 N 1.73 2.43 -0.13 1.98 2.02 0.48 -3.54 118.70 123.66 3hi1 s GLU 105 Ca 0.07 -0.87 -0.04 0.00 0.02 0.00 0.00 54.97 54.14 3hi1 s GLU 105 Cb -0.16 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 3hi1 s GLU 105 CO 0.10 0.54 0.02 0.42 0.02 0.00 0.00 175.26 176.37 3hi1 s ILE 106 N -1.23 4.48 0.02 -1.63 -1.09 -1.26 -1.51 121.20 118.99 3hi1 s ILE 106 Ca 0.23 -0.16 -0.11 0.00 -2.23 0.00 0.00 60.65 58.38 3hi1 s ILE 106 Cb -0.11 -2.95 -0.05 0.00 -1.58 0.00 0.00 42.46 37.76 3hi1 s ILE 106 CO 0.15 0.54 0.36 -0.54 -1.23 0.00 0.00 174.94 174.22 3hi1 s LYS 107 N -0.22 3.76 0.30 2.79 1.02 0.63 -4.89 119.74 123.13 3hi1 s LYS 107 Ca 0.06 0.20 -0.04 0.00 0.02 0.00 0.00 55.97 56.21 3hi1 s LYS 107 Cb -0.12 -3.11 0.01 0.00 -0.52 0.00 0.00 37.83 34.10 3hi1 s LYS 107 CO 0.02 0.64 0.45 2.89 -0.92 0.00 0.00 175.35 178.43 3hi1 n ARG 108 N 1.36 0.65 -2.36 1.68 1.85 -1.26 -4.15 116.66 114.43 3hi1 n ARG 108 Ca -0.12 -2.24 -0.33 0.00 -1.00 0.00 0.00 57.85 54.16 3hi1 n ARG 108 Cb 0.53 2.26 -0.02 0.00 -1.05 0.00 0.00 32.46 34.18 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 -2.66 3.86 0.31 8.89 -4.23 -1.26 -4.98 115.64 115.57 3hi1 s THR 109 Ca 0.22 1.03 -0.29 0.00 -1.18 0.00 0.00 61.69 61.47 3hi1 s THR 109 Cb -0.01 -3.45 -0.11 0.00 1.34 0.00 0.00 72.50 70.27 3hi1 s THR 109 CO 0.16 -0.37 1.56 -0.69 -0.54 0.00 0.00 174.62 174.74 3hi1 s VAL 110 N -2.20 2.08 -0.03 2.29 1.01 -1.26 -4.83 120.40 117.46 3hi1 s VAL 110 Ca 0.65 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.72 3hi1 s VAL 110 Cb -0.16 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 33.20 3hi1 s VAL 110 CO 0.27 0.01 -0.04 0.00 0.00 0.00 0.00 175.10 175.34 3hi1 s ALA 111 N -0.32 0.57 0.21 5.51 0.00 0.95 -4.93 121.76 123.74 3hi1 s ALA 111 Ca 0.60 -0.06 -0.24 0.00 0.00 0.00 0.00 51.96 52.27 3hi1 s ALA 111 Cb -0.47 -0.33 -0.08 0.00 0.00 0.00 0.00 23.12 22.24 3hi1 s ALA 111 CO 0.52 0.02 0.79 0.00 0.00 0.00 0.00 175.76 177.09 3hi1 s ALA 112 N 0.67 3.40 0.63 0.00 0.00 -1.26 -0.82 121.76 124.39 3hi1 s ALA 112 Ca -0.08 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.06 3hi1 s ALA 112 Cb -0.12 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3hi1 s ALA 112 CO -0.00 0.29 1.08 -1.25 0.00 0.00 0.00 175.76 175.87 3hi1 s PRO 113 N -1.52 3.07 -0.25 0.00 0.04 -1.26 -4.65 135.00 130.43 3hi1 s PRO 113 Ca 0.40 1.25 -0.10 0.00 0.04 0.00 0.00 61.00 62.59 3hi1 s PRO 113 Cb -0.21 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.29 3hi1 s PRO 113 CO 0.24 -1.01 0.15 -1.12 0.04 0.00 0.00 177.00 175.30 3hi1 s SER 114 N -2.80 5.89 -0.10 6.66 0.01 -0.89 -4.82 113.70 117.65 3hi1 s SER 114 Ca 0.64 0.01 -0.05 0.00 1.31 0.00 0.00 55.95 57.86 3hi1 s SER 114 Cb -0.18 -2.07 -0.04 0.00 0.21 0.00 0.00 66.02 63.95 3hi1 s SER 114 CO 0.40 0.02 0.11 -0.69 0.41 0.00 0.00 173.24 173.49 3hi1 s VAL 115 N 1.35 5.20 0.05 3.43 1.01 -1.26 -1.20 120.40 128.98 3hi1 s VAL 115 Ca 0.07 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.12 3hi1 s VAL 115 Cb -0.15 -3.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 3hi1 s VAL 115 CO 0.07 0.59 -0.06 -0.36 0.00 0.00 0.00 175.10 175.34 3hi1 s PHE 116 N -1.02 0.61 0.06 5.22 0.40 -0.42 -4.98 117.98 117.84 3hi1 s PHE 116 Ca 0.16 -0.65 0.06 0.00 -0.60 0.00 0.00 56.93 55.89 3hi1 s PHE 116 Cb -0.12 -0.38 -0.03 0.00 0.51 0.00 0.00 43.02 43.01 3hi1 s PHE 116 CO 0.05 -0.15 -0.17 -1.50 0.70 0.00 0.00 175.22 174.15 3hi1 s ILE 117 N -2.12 1.36 -0.07 0.64 2.07 -1.26 -0.59 121.20 121.22 3hi1 s ILE 117 Ca -0.05 -1.21 0.01 0.00 -1.41 0.00 0.00 60.65 57.99 3hi1 s ILE 117 Cb -0.05 -1.23 0.02 0.00 0.13 0.00 0.00 42.46 41.33 3hi1 s ILE 117 CO -0.02 -0.01 -0.09 -0.36 -1.91 0.00 0.00 174.94 172.55 3hi1 s PHE 118 N -0.98 1.30 0.58 3.50 0.08 0.58 -4.99 117.98 118.04 3hi1 s PHE 118 Ca 0.03 -0.50 -0.14 0.00 0.12 0.00 0.00 56.93 56.44 3hi1 s PHE 118 Cb -0.09 -1.01 -0.05 0.00 -0.57 0.00 0.00 43.02 41.30 3hi1 s PHE 118 CO 0.02 -0.31 1.02 -2.14 -0.10 0.00 0.00 175.22 173.72 3hi1 s PRO 119 N 0.95 3.58 0.45 0.24 0.02 -1.26 -1.98 135.00 137.00 3hi1 s PRO 119 Ca -0.10 0.97 -0.24 0.00 0.02 0.00 0.00 61.00 61.65 3hi1 s PRO 119 Cb -0.15 -2.08 -0.08 0.00 0.02 0.00 0.00 34.50 32.22 3hi1 s PRO 119 CO 0.00 -0.58 1.30 -1.25 -0.33 0.00 0.00 177.00 176.14 3hi1 s PRO 120 N -4.44 3.73 0.70 5.54 0.04 -1.19 -4.88 135.00 134.51 3hi1 s PRO 120 Ca 0.59 2.11 -0.13 0.00 0.04 0.00 0.00 61.00 63.62 3hi1 s PRO 120 Cb -0.12 -2.57 0.02 0.00 0.04 0.00 0.00 34.50 31.86 3hi1 s PRO 120 CO 0.41 -0.67 1.09 -1.54 0.04 0.00 0.00 177.00 176.33 3hi1 s SER 121 N -0.89 4.95 0.21 6.66 1.04 -1.26 -4.91 113.70 119.49 3hi1 s SER 121 Ca 0.62 1.87 -0.07 0.00 0.48 0.00 0.00 55.95 58.85 3hi1 s SER 121 Cb -0.37 -2.53 0.15 0.00 0.10 0.00 0.00 66.02 63.37 3hi1 s SER 121 CO 0.46 -1.74 1.69 0.44 0.98 0.00 0.00 173.24 175.07 3hi1 h ASP 122 N -0.48 0.99 -0.74 7.02 3.32 -1.99 -2.06 116.42 122.47 3hi1 h ASP 122 Ca -0.45 -0.26 0.17 0.00 0.02 0.00 0.00 57.03 56.51 3hi1 h ASP 122 Cb 1.23 -0.26 -0.12 0.00 0.22 0.00 0.00 39.33 40.40 3hi1 h ASP 122 CO 0.53 1.02 0.12 -0.08 -1.72 0.00 0.00 179.24 179.11 3hi1 h GLU 123 N 0.94 0.19 0.04 3.56 4.81 -2.01 -2.09 114.58 120.03 3hi1 h GLU 123 Ca 0.18 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.15 3hi1 h GLU 123 Cb 0.50 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.85 3hi1 h GLU 123 CO 0.02 0.13 -1.05 0.37 -0.73 0.00 0.00 179.01 177.76 3hi1 h GLN 124 N 0.20 0.43 -0.55 1.92 4.15 -1.80 -3.20 115.11 116.25 3hi1 h GLN 124 Ca 0.42 -0.52 0.03 0.00 0.77 0.00 0.00 58.65 59.35 3hi1 h GLN 124 Cb 0.73 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.55 3hi1 h GLN 124 CO -0.57 1.18 0.36 -0.07 -1.93 0.00 0.00 178.83 177.80 3hi1 h LEU 125 N 0.22 0.55 -1.76 -2.39 3.38 -0.76 0.39 115.31 114.94 3hi1 h LEU 125 Ca -0.11 -0.01 0.23 0.00 0.09 0.00 0.00 57.88 58.08 3hi1 h LEU 125 Cb 1.70 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.27 3hi1 h LEU 125 CO 0.18 0.38 0.61 0.50 0.09 0.00 0.00 178.44 180.20 3hi1 h LYS 126 N 0.64 0.19 0.00 1.13 3.64 -1.39 -1.71 116.57 119.07 3hi1 h LYS 126 Ca 0.22 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3hi1 h LYS 126 Cb 0.08 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3hi1 h LYS 126 CO -0.06 0.12 0.00 0.43 -2.27 0.00 0.00 179.45 177.68 3hi1 n SER 127 N -4.40 0.62 0.00 4.20 7.64 0.14 -4.90 113.62 116.92 3hi1 n SER 127 Ca 0.19 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.64 3hi1 n SER 127 Cb 0.82 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 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 1.06 0.59 3.20 0.23 0.00 -0.64 -5.05 105.19 104.58 3hi1 n GLY 128 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.35 1.28 -0.07 2.61 -4.23 -1.26 -0.91 115.64 110.71 3hi1 s THR 129 Ca 0.00 -1.38 0.03 0.00 -1.18 0.00 0.00 61.69 59.16 3hi1 s THR 129 Cb 0.00 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.64 3hi1 s THR 129 CO 0.00 -0.18 -0.16 0.00 -0.54 0.00 0.00 174.62 173.74 3hi1 s ALA 130 N -1.26 1.52 -0.19 3.99 0.00 0.16 -3.90 121.76 122.09 3hi1 s ALA 130 Ca 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.38 3hi1 s ALA 130 Cb -0.10 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.43 3hi1 s ALA 130 CO 0.03 0.19 -0.19 -1.12 0.00 0.00 0.00 175.76 174.66 3hi1 s SER 131 N 0.47 3.24 -0.10 0.00 0.01 -1.26 -0.62 113.70 115.45 3hi1 s SER 131 Ca -0.14 -0.68 -0.04 0.00 1.31 0.00 0.00 55.95 56.40 3hi1 s SER 131 Cb -0.16 -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 0.00 173.24 173.07 3hi1 s VAL 132 N 1.29 4.90 -0.05 3.43 1.01 0.53 -3.20 120.40 128.31 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 -3.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 3hi1 s VAL 132 CO -0.12 0.60 -0.16 -0.69 0.00 0.00 0.00 175.10 174.72 3hi1 s VAL 133 N -0.97 1.36 -0.15 2.92 1.01 -0.84 -0.75 120.40 122.98 3hi1 s VAL 133 Ca 0.15 -0.67 -0.00 0.00 0.00 0.00 0.00 61.98 61.46 3hi1 s VAL 133 Cb -0.12 -1.18 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3hi1 s VAL 133 CO 0.04 0.40 -0.13 0.00 0.00 0.00 0.00 175.10 175.40 3hi1 s LEU 135 N 0.62 2.93 -0.29 0.00 2.96 0.24 -0.97 118.68 124.17 3hi1 s LEU 135 Ca -0.08 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 3hi1 s LEU 135 Cb -0.16 -1.71 0.01 0.00 0.50 0.00 0.00 46.19 44.83 3hi1 s LEU 135 CO 0.03 0.08 0.07 -0.76 -1.32 0.00 0.00 176.35 174.45 3hi1 s LEU 136 N 0.85 3.80 -0.17 -0.68 1.02 0.97 -1.30 118.68 123.17 3hi1 s LEU 136 Ca -0.02 -0.70 -0.04 0.00 0.02 0.00 0.00 54.13 53.38 3hi1 s LEU 136 Cb -0.15 -1.87 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 3hi1 s LEU 136 CO 0.01 -0.18 -0.02 0.21 0.02 0.00 0.00 176.35 176.39 3hi1 s ASN 137 N 1.49 4.90 -0.47 2.29 3.84 -0.34 -0.49 114.94 126.16 3hi1 s ASN 137 Ca 0.03 -0.12 -0.29 0.00 0.21 0.00 0.00 52.86 52.69 3hi1 s ASN 137 Cb -0.17 -1.81 0.04 0.00 -0.55 0.00 0.00 41.25 38.76 3hi1 s ASN 137 CO 0.02 0.15 0.65 0.59 -2.79 0.00 0.00 177.10 175.72 3hi1 n ASN 138 N 3.64 -6.24 -4.30 -4.21 3.02 -0.95 -2.09 115.26 104.13 3hi1 n ASN 138 Ca -0.17 -0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.22 3hi1 n ASN 138 Cb 0.52 -2.84 -0.10 0.00 -0.61 0.00 0.00 39.78 36.76 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 -1.93 1.47 -0.27 3.10 -0.71 0.17 -4.40 117.98 115.41 3hi1 s PHE 139 Ca 0.32 -1.02 -0.25 0.00 -1.04 0.00 0.00 56.93 54.94 3hi1 s PHE 139 Cb -0.05 -0.85 0.10 0.00 -1.21 0.00 0.00 43.02 41.02 3hi1 s PHE 139 CO 0.84 -0.16 0.93 -0.47 -1.34 0.00 0.00 175.22 175.02 3hi1 s TYR 140 N -3.57 -0.58 0.00 3.49 5.04 0.00 -0.49 117.35 121.24 3hi1 s TYR 140 Ca 0.30 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.33 3hi1 s TYR 140 Cb 0.06 0.33 0.00 0.00 0.35 0.00 0.00 41.96 42.71 3hi1 s TYR 140 CO 0.09 -0.28 0.00 -0.35 -1.34 0.00 0.00 175.55 173.66 3hi1 n PRO 141 N 2.34 0.40 -0.04 4.97 -0.04 -1.26 -0.03 135.00 141.35 3hi1 n PRO 141 Ca -0.13 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.20 3hi1 n PRO 141 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 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 0.73 -6.12 0.54 2.43 -1.99 -3.43 114.38 106.53 3hi1 h ARG 142 Ca 0.00 -0.48 -0.58 0.00 -0.81 0.00 0.00 59.98 58.11 3hi1 h ARG 142 Cb 0.00 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3hi1 h ARG 142 CO 0.00 1.11 1.38 -1.21 -1.51 0.00 0.00 179.97 179.73 3hi1 s GLU 143 N -4.01 3.18 0.26 0.20 8.01 -1.26 -4.93 118.70 120.15 3hi1 s GLU 143 Ca -0.09 1.64 0.02 0.00 0.01 0.00 0.00 54.97 56.55 3hi1 s GLU 143 Cb 0.10 -4.29 -0.04 0.00 -4.31 0.00 0.00 34.13 25.60 3hi1 s GLU 143 CO 0.87 -2.04 0.18 0.00 0.01 0.00 0.00 175.26 174.28 3hi1 s ALA 144 N 7.72 1.56 -0.11 5.21 0.00 -1.26 -4.52 121.76 130.36 3hi1 s ALA 144 Ca 0.88 -1.82 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 3hi1 s ALA 144 Cb -0.26 1.35 0.05 0.00 0.00 0.00 0.00 23.12 24.26 3hi1 s ALA 144 CO 0.33 -0.59 0.23 0.21 0.00 0.00 0.00 175.76 175.95 3hi1 s LYS 145 N -3.88 0.14 0.10 0.00 2.20 -0.47 -5.00 119.74 112.82 3hi1 s LYS 145 Ca 0.39 0.63 0.01 0.00 -0.36 0.00 0.00 55.97 56.64 3hi1 s LYS 145 Cb 0.05 -0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.22 3hi1 s LYS 145 CO 0.18 -0.25 0.24 0.14 -0.36 0.00 0.00 175.35 175.30 3hi1 s VAL 146 N 1.99 5.35 -0.04 4.02 -7.23 -1.26 -0.82 120.40 122.42 3hi1 s VAL 146 Ca -0.02 -0.52 -0.01 0.00 -1.81 0.00 0.00 61.98 59.62 3hi1 s VAL 146 Cb -0.12 -3.67 0.03 0.00 0.56 0.00 0.00 36.38 33.18 3hi1 s VAL 146 CO -0.08 0.04 0.04 -1.58 -0.31 0.00 0.00 175.10 173.21 3hi1 s GLN 147 N -2.82 0.05 -0.13 4.82 2.00 0.13 -4.96 119.66 118.75 3hi1 s GLN 147 Ca 0.35 0.26 -0.14 0.00 -2.00 0.00 0.00 55.36 53.83 3hi1 s GLN 147 Cb -0.12 -0.48 -0.05 0.00 0.80 0.00 0.00 33.01 33.16 3hi1 s GLN 147 CO 0.28 -0.26 0.33 -1.58 -0.50 0.00 0.00 175.29 173.56 3hi1 s TRP 148 N 1.70 3.52 -0.09 1.67 0.52 -1.26 0.53 118.94 125.52 3hi1 s TRP 148 Ca -0.01 0.69 0.02 0.00 0.02 0.00 0.00 56.10 56.82 3hi1 s TRP 148 Cb -0.13 -2.34 0.01 0.00 -1.15 0.00 0.00 33.47 29.87 3hi1 s TRP 148 CO -0.03 0.32 -0.14 0.15 0.02 0.00 0.00 176.95 177.27 3hi1 s LYS 149 N 0.17 2.02 -0.27 4.98 1.02 -0.07 -1.13 119.74 126.45 3hi1 s LYS 149 Ca 0.19 -0.50 -0.02 0.00 0.02 0.00 0.00 55.97 55.65 3hi1 s LYS 149 Cb -0.14 -1.71 0.03 0.00 -0.52 0.00 0.00 37.83 35.49 3hi1 s LYS 149 CO 0.06 -0.03 -0.02 0.08 -0.92 0.00 0.00 175.35 174.51 3hi1 s VAL 150 N 0.89 3.03 -1.45 3.17 1.01 -0.12 -0.70 120.40 126.23 3hi1 s VAL 150 Ca -0.09 -1.11 -0.08 0.00 0.00 0.00 0.00 61.98 60.69 3hi1 s VAL 150 Cb -0.15 -2.61 0.05 0.00 0.00 0.00 0.00 36.38 33.67 3hi1 s VAL 150 CO 0.01 0.08 0.84 0.47 0.00 0.00 0.00 175.10 176.49 3hi1 n ASP 151 N 4.67 -3.17 0.00 3.32 8.00 0.89 -1.36 116.55 128.90 3hi1 n ASP 151 Ca -0.15 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3hi1 n ASP 151 Cb 0.46 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.71 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 -2.92 0.00 -4.68 -2.24 3.02 -1.26 -4.97 115.26 102.21 3hi1 n ASN 152 Ca -0.10 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.04 3hi1 n ASN 152 Cb 0.59 -1.25 -0.04 0.00 -0.61 0.00 0.00 39.78 38.47 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 -2.40 3.44 0.21 5.41 0.00 -0.47 -4.99 121.76 122.96 3hi1 s ALA 153 Ca 0.00 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.79 3hi1 s ALA 153 Cb 0.00 -3.22 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 3hi1 s ALA 153 CO 0.00 -0.52 1.18 -0.51 0.00 0.00 0.00 175.76 175.90 3hi1 s LEU 154 N 1.82 4.47 0.28 0.00 1.02 -1.26 -0.95 118.68 124.06 3hi1 s LEU 154 Ca 0.40 2.24 -0.02 0.00 0.02 0.00 0.00 54.13 56.78 3hi1 s LEU 154 Cb -0.17 -3.61 -0.04 0.00 0.02 0.00 0.00 46.19 42.38 3hi1 s LEU 154 CO 0.15 -0.32 0.50 -1.10 0.02 0.00 0.00 176.35 175.60 3hi1 s GLN 155 N -0.51 3.56 -0.06 1.70 -1.52 -0.28 -4.95 119.66 117.59 3hi1 s GLN 155 Ca 0.51 -0.20 -0.20 0.00 -1.95 0.00 0.00 55.36 53.52 3hi1 s GLN 155 Cb -0.32 -2.71 0.04 0.00 -0.22 0.00 0.00 33.01 29.80 3hi1 s GLN 155 CO 0.38 0.25 0.45 -1.54 -0.25 0.00 0.00 175.29 174.58 3hi1 s SER 156 N -3.41 -0.39 -1.33 5.90 1.04 -1.26 -4.78 113.70 109.46 3hi1 s SER 156 Ca 0.41 0.46 -0.00 0.00 0.48 0.00 0.00 55.95 57.30 3hi1 s SER 156 Cb -0.10 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3hi1 s SER 156 CO 0.31 -0.43 0.01 0.61 0.98 0.00 0.00 173.24 174.72 3hi1 n GLY 157 N 1.50 -0.50 1.47 7.32 0.00 -1.26 -4.80 105.19 108.92 3hi1 n GLY 157 Ca -0.19 0.00 0.04 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 -1.89 0.95 -3.68 1.61 6.94 -1.26 -5.07 115.26 112.86 3hi1 n ASN 158 Ca -0.18 -2.00 -0.14 0.00 -0.02 0.00 0.00 54.58 52.24 3hi1 n ASN 158 Cb 0.64 -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 -1.96 -0.51 0.31 0.53 1.04 -1.26 -1.84 113.70 110.01 3hi1 s SER 159 Ca 0.33 0.86 0.09 0.00 0.48 0.00 0.00 55.95 57.70 3hi1 s SER 159 Cb 0.37 0.88 -0.06 0.00 0.10 0.00 0.00 66.02 67.31 3hi1 s SER 159 CO -0.16 -0.29 -0.10 -1.10 0.98 0.00 0.00 173.24 172.56 3hi1 s GLN 160 N -0.20 1.69 0.10 4.02 -0.21 -0.99 -4.91 119.66 119.16 3hi1 s GLN 160 Ca -0.04 -1.85 -0.03 0.00 0.02 0.00 0.00 55.36 53.46 3hi1 s GLN 160 Cb -0.03 -1.53 -0.03 0.00 1.00 0.00 0.00 33.01 32.42 3hi1 s GLN 160 CO 0.03 0.14 0.08 -1.83 -2.12 0.00 0.00 175.29 171.59 3hi1 s GLU 161 N -3.63 0.85 -0.04 2.91 -1.05 -1.26 0.23 118.70 116.70 3hi1 s GLU 161 Ca 0.31 -1.26 -0.06 0.00 -0.15 0.00 0.00 54.97 53.80 3hi1 s GLU 161 Cb 0.01 0.27 0.01 0.00 -0.44 0.00 0.00 34.13 33.98 3hi1 s GLU 161 CO 0.14 -0.24 0.16 0.45 0.95 0.00 0.00 175.26 176.73 3hi1 s SER 162 N -2.97 -0.11 0.03 0.83 0.15 -0.16 -4.98 113.70 106.49 3hi1 s SER 162 Ca 0.15 0.15 0.07 0.00 0.70 0.00 0.00 55.95 57.02 3hi1 s SER 162 Cb 0.07 0.30 -0.02 0.00 -1.71 0.00 0.00 66.02 64.65 3hi1 s SER 162 CO -0.04 -0.17 -0.20 -0.69 1.20 0.00 0.00 173.24 173.35 3hi1 s VAL 163 N -0.42 1.59 0.72 4.45 1.01 -1.26 -1.21 120.40 125.28 3hi1 s VAL 163 Ca -0.05 -1.09 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 3hi1 s VAL 163 Cb -0.03 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 35.00 3hi1 s VAL 163 CO 0.01 0.24 1.10 0.42 0.00 0.00 0.00 175.10 176.87 3hi1 s THR 164 N -0.72 3.40 0.69 3.92 -4.23 -0.36 -5.00 115.64 113.35 3hi1 s THR 164 Ca 0.07 0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 60.93 3hi1 s THR 164 Cb -0.08 -3.40 0.01 0.00 1.34 0.00 0.00 72.50 70.36 3hi1 s THR 164 CO 0.01 -0.60 1.06 -0.70 -0.54 0.00 0.00 174.62 173.86 3hi1 s GLU 165 N -5.32 2.95 0.34 3.99 2.56 -1.26 -4.61 118.70 117.35 3hi1 s GLU 165 Ca 0.59 0.80 -0.26 0.00 0.00 0.00 0.00 54.97 56.10 3hi1 s GLU 165 Cb -0.12 -2.00 -0.13 0.00 2.00 0.00 0.00 34.13 33.88 3hi1 s GLU 165 CO 0.52 -1.05 0.92 1.04 -0.56 0.00 0.00 175.26 176.14 3hi1 n GLN 166 N -3.07 1.19 -2.10 4.30 6.02 -1.26 -4.72 117.38 117.73 3hi1 n GLN 166 Ca 0.07 0.42 -0.34 0.00 -0.01 0.00 0.00 57.00 57.14 3hi1 n GLN 166 Cb 0.54 -1.82 0.01 0.00 1.02 0.00 0.00 30.24 30.00 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 -0.68 5.58 0.15 1.08 2.15 0.19 -4.82 116.67 120.32 3hi1 s ASP 167 Ca 0.61 2.08 -0.04 0.00 0.43 0.00 0.00 52.55 55.62 3hi1 s ASP 167 Cb -0.65 -2.57 -0.01 0.00 -0.30 0.00 0.00 42.92 39.39 3hi1 s ASP 167 CO 0.59 -1.31 1.38 0.28 -0.17 0.00 0.00 175.17 175.94 3hi1 h SER 168 N 0.80 0.59 0.05 -0.34 0.02 -1.91 -1.97 113.55 110.79 3hi1 h SER 168 Ca -0.49 -0.40 -0.23 0.00 -0.84 0.00 0.00 61.79 59.83 3hi1 h SER 168 Cb 1.25 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.60 3hi1 h SER 168 CO 0.56 1.16 -1.25 0.11 -1.14 0.00 0.00 176.83 176.27 3hi1 h LYS 169 N 0.32 0.10 -0.00 3.45 1.57 -1.93 -2.15 116.57 117.93 3hi1 h LYS 169 Ca -0.04 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3hi1 h LYS 169 Cb 1.38 0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.75 3hi1 h LYS 169 CO 0.14 1.08 -0.05 -0.40 -0.57 0.00 0.00 179.45 179.65 3hi1 n ASP 170 N -4.19 0.92 -1.85 0.86 5.68 -1.26 -4.79 116.55 111.91 3hi1 n ASP 170 Ca -0.28 -0.96 -0.16 0.00 -0.50 0.00 0.00 54.79 52.89 3hi1 n ASP 170 Cb 0.76 0.32 -0.01 0.00 -1.14 0.00 0.00 41.12 41.06 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 -0.21 -4.90 -4.92 -1.12 7.64 -0.74 -4.88 113.62 104.49 3hi1 n SER 171 Ca 0.02 0.01 -0.21 0.00 1.01 0.00 0.00 58.87 59.69 3hi1 n SER 171 Cb 0.08 -4.00 -0.01 0.00 -1.01 0.00 0.00 64.21 59.27 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 -2.81 2.48 0.18 0.44 -4.23 -1.26 -4.38 115.64 106.06 3hi1 s THR 172 Ca 0.00 -1.27 0.07 0.00 -1.18 0.00 0.00 61.69 59.31 3hi1 s THR 172 Cb 0.00 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 3hi1 s THR 172 CO 0.00 0.00 0.00 -0.31 -0.54 0.00 0.00 174.62 173.77 3hi1 s TYR 173 N -2.53 2.85 0.03 3.99 1.51 0.35 -0.63 117.35 122.92 3hi1 s TYR 173 Ca 0.49 -0.13 0.04 0.00 -1.01 0.00 0.00 57.07 56.45 3hi1 s TYR 173 Cb -0.04 -1.38 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 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 1.30 0.03 2.29 0.01 -1.26 0.42 113.70 113.51 3hi1 s SER 174 Ca 0.28 -0.41 0.03 0.00 1.31 0.00 0.00 55.95 57.15 3hi1 s SER 174 Cb -0.09 -0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.05 3hi1 s SER 174 CO 0.19 -0.01 -0.10 -0.22 0.41 0.00 0.00 173.24 173.50 3hi1 s LEU 175 N -1.06 2.17 -0.02 2.44 0.20 0.36 -1.23 118.68 121.55 3hi1 s LEU 175 Ca -0.01 -0.42 0.03 0.00 0.69 0.00 0.00 54.13 54.43 3hi1 s LEU 175 Cb -0.07 -0.37 -0.00 0.00 -0.43 0.00 0.00 46.19 45.31 3hi1 s LEU 175 CO 0.01 -0.05 -0.11 -0.94 -0.29 0.00 0.00 176.35 174.97 3hi1 s SER 176 N -1.09 1.36 0.02 3.68 1.04 -0.35 -0.02 113.70 118.35 3hi1 s SER 176 Ca -0.03 -0.21 0.07 0.00 0.48 0.00 0.00 55.95 56.26 3hi1 s SER 176 Cb -0.07 -0.24 -0.03 0.00 0.10 0.00 0.00 66.02 65.78 3hi1 s SER 176 CO 0.01 0.12 -0.20 -0.55 0.98 0.00 0.00 173.24 173.59 3hi1 s SER 177 N -0.09 3.64 -0.24 7.02 0.15 -0.14 -0.99 113.70 123.05 3hi1 s SER 177 Ca 0.01 -0.43 0.01 0.00 0.70 0.00 0.00 55.95 56.24 3hi1 s SER 177 Cb -0.06 -0.56 0.06 0.00 -1.71 0.00 0.00 66.02 63.75 3hi1 s SER 177 CO 0.00 0.28 -0.04 -0.89 1.20 0.00 0.00 173.24 173.79 3hi1 s THR 178 N -0.85 1.50 -0.09 6.45 2.01 0.13 -0.95 115.64 123.85 3hi1 s THR 178 Ca 0.13 -1.26 -0.30 0.00 0.31 0.00 0.00 61.69 60.57 3hi1 s THR 178 Cb -0.10 -1.81 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 3hi1 s THR 178 CO 0.03 -0.16 1.07 -0.22 -0.69 0.00 0.00 174.62 174.65 3hi1 s LEU 179 N 1.40 4.26 -0.21 4.42 2.96 0.07 -2.34 118.68 129.23 3hi1 s LEU 179 Ca -0.04 1.63 0.02 0.00 -0.22 0.00 0.00 54.13 55.51 3hi1 s LEU 179 Cb -0.19 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 42.98 3hi1 s LEU 179 CO -0.07 -0.49 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.43 3hi1 s THR 180 N 2.04 2.07 0.30 3.68 2.01 -0.76 -0.34 115.64 124.64 3hi1 s THR 180 Ca 0.51 -1.22 0.10 0.00 0.31 0.00 0.00 61.69 61.38 3hi1 s THR 180 Cb -0.20 -2.02 -0.06 0.00 0.01 0.00 0.00 72.50 70.23 3hi1 s THR 180 CO 0.19 0.28 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.52 3hi1 s LEU 181 N 1.22 2.64 0.29 4.42 1.02 0.21 -4.91 118.68 123.57 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 -0.09 -0.15 0.73 -0.94 0.02 0.00 0.00 176.35 175.92 3hi1 s SER 182 N -3.53 6.88 0.31 2.29 1.04 -1.26 0.40 113.70 119.82 3hi1 s SER 182 Ca 0.31 1.34 0.02 0.00 0.48 0.00 0.00 55.95 58.09 3hi1 s SER 182 Cb 0.00 -2.39 0.78 0.00 0.10 0.00 0.00 66.02 64.51 3hi1 s SER 182 CO 0.15 -0.12 1.57 0.50 0.98 0.00 0.00 173.24 176.31 3hi1 h LYS 183 N 2.67 0.00 0.02 4.02 3.64 -1.30 -0.51 116.57 125.11 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 32.97 3hi1 h LYS 183 CO 0.65 0.00 -0.30 0.00 -2.27 0.00 0.00 179.45 177.53 3hi1 h ALA 184 N 2.00 -0.77 -0.52 5.00 0.00 -1.93 -1.44 119.26 121.59 3hi1 h ALA 184 Ca 0.61 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.52 3hi1 h ALA 184 Cb 1.27 0.74 -0.05 0.00 0.00 0.00 0.00 17.79 19.75 3hi1 h ALA 184 CO -0.93 -0.86 0.26 -0.44 0.00 0.00 0.00 179.25 177.28 3hi1 h ASP 185 N -0.39 0.36 -0.74 0.00 3.32 -1.56 -1.67 116.42 115.74 3hi1 h ASP 185 Ca 0.00 0.03 0.12 0.00 0.02 0.00 0.00 57.03 57.21 3hi1 h ASP 185 Cb 0.41 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.88 3hi1 h ASP 185 CO -0.19 0.25 0.49 0.22 -1.72 0.00 0.00 179.24 178.29 3hi1 h TYR 186 N 0.50 0.59 -0.35 4.55 3.20 -0.97 -1.55 116.97 122.94 3hi1 h TYR 186 Ca 0.23 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.12 3hi1 h TYR 186 Cb 0.15 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3hi1 h TYR 186 CO -0.11 0.25 0.00 0.39 -1.64 0.00 0.00 178.16 177.06 3hi1 n GLU 187 N -4.49 1.86 -0.76 1.82 1.02 -0.56 -3.55 120.64 115.99 3hi1 n GLU 187 Ca 0.13 -1.34 -0.00 0.00 -0.02 0.00 0.00 57.16 55.93 3hi1 n GLU 187 Cb 0.43 -1.31 0.20 0.00 -0.02 0.00 0.00 31.44 30.74 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 0.58 1.78 -3.67 3.49 2.85 -0.58 -5.00 118.16 117.61 3hi1 n LYS 188 Ca 0.13 -3.30 -0.15 0.00 -1.05 0.00 0.00 58.31 53.95 3hi1 n LYS 188 Cb 0.32 -1.74 -0.08 0.00 -0.65 0.00 0.00 35.03 32.89 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 -3.27 -0.41 -0.14 5.58 3.76 -1.23 -5.08 115.29 114.50 3hi1 s HIS 189 Ca 0.42 0.76 -0.13 0.00 -0.15 0.00 0.00 55.06 55.96 3hi1 s HIS 189 Cb 0.39 0.22 -0.06 0.00 1.11 0.00 0.00 32.58 34.24 3hi1 s HIS 189 CO -0.04 -0.44 -0.26 1.17 -0.85 0.00 0.00 174.74 174.32 3hi1 n LYS 190 N 1.45 0.41 -2.71 1.40 4.81 -1.26 -4.64 118.16 117.62 3hi1 n LYS 190 Ca -0.19 0.17 -0.43 0.00 -0.87 0.00 0.00 58.31 56.99 3hi1 n LYS 190 Cb 0.56 -1.20 -0.03 0.00 0.02 0.00 0.00 35.03 34.38 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 -2.59 4.41 -0.25 3.15 1.01 -1.26 -1.53 120.40 123.34 3hi1 s VAL 191 Ca -0.24 1.20 -0.07 0.00 0.00 0.00 0.00 61.98 62.87 3hi1 s VAL 191 Cb 0.05 -4.47 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 3hi1 s VAL 191 CO 0.33 -0.76 0.05 -0.31 0.00 0.00 0.00 175.10 174.41 3hi1 s TYR 192 N 3.92 3.07 0.04 5.22 1.51 -0.38 -0.07 117.35 130.66 3hi1 s TYR 192 Ca 0.43 -0.63 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 3hi1 s TYR 192 Cb -0.10 -2.22 -0.02 0.00 -0.11 0.00 0.00 41.96 39.51 3hi1 s TYR 192 CO 0.25 -0.44 -0.11 0.00 -1.11 0.00 0.00 175.55 174.14 3hi1 s ALA 193 N 1.57 0.86 -0.13 3.71 0.00 0.13 -1.06 121.76 126.83 3hi1 s ALA 193 Ca 0.06 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.28 3hi1 s ALA 193 Cb -0.15 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.90 3hi1 s ALA 193 CO 0.02 0.12 -0.13 0.00 0.00 0.00 0.00 175.76 175.76 3hi1 s GLU 195 N 1.39 3.23 -0.17 0.00 2.12 0.19 -1.07 118.70 124.38 3hi1 s GLU 195 Ca 0.02 -0.75 -0.01 0.00 0.36 0.00 0.00 54.97 54.59 3hi1 s GLU 195 Cb -0.13 -2.60 -0.00 0.00 0.26 0.00 0.00 34.13 31.65 3hi1 s GLU 195 CO -0.08 0.06 -0.12 0.08 -0.54 0.00 0.00 175.26 174.65 3hi1 s VAL 196 N 0.71 2.87 -0.17 3.70 1.01 0.61 0.19 120.40 129.32 3hi1 s VAL 196 Ca -0.07 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.18 3hi1 s VAL 196 Cb -0.16 -2.24 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3hi1 s VAL 196 CO 0.01 0.49 -0.02 0.42 0.00 0.00 0.00 175.10 176.01 3hi1 s THR 197 N 0.96 3.97 -0.04 3.92 -4.23 0.00 -1.45 115.64 118.77 3hi1 s THR 197 Ca -0.02 -0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 60.03 3hi1 s THR 197 Cb -0.15 -2.76 0.02 0.00 1.34 0.00 0.00 72.50 70.96 3hi1 s THR 197 CO -0.01 0.47 0.31 -2.28 -0.54 0.00 0.00 174.62 172.57 3hi1 s HIS 198 N 0.54 -0.22 0.55 3.99 2.46 -1.26 -1.37 115.29 119.98 3hi1 s HIS 198 Ca -0.02 0.41 0.27 0.00 0.47 0.00 0.00 55.06 56.19 3hi1 s HIS 198 Cb -0.14 0.10 1.45 0.00 -0.13 0.00 0.00 32.58 33.86 3hi1 s HIS 198 CO 0.02 -0.34 1.98 0.37 -2.47 0.00 0.00 174.74 174.31 3hi1 h GLN 199 N 4.29 0.00 -0.11 2.88 4.15 -1.94 0.99 115.11 125.37 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 -1.60 -0.37 3.14 2.39 0.00 -1.26 -4.70 105.19 102.79 3hi1 n GLY 200 Ca 0.09 -0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.30 2.73 0.58 0.99 1.43 0.34 -4.44 118.68 119.01 3hi1 s LEU 201 Ca 0.20 -0.86 0.28 0.00 -1.03 0.00 0.00 54.13 52.72 3hi1 s LEU 201 Cb 0.10 -1.56 1.69 0.00 0.03 0.00 0.00 46.19 46.46 3hi1 s LEU 201 CO 0.15 -0.08 2.18 0.77 0.23 0.00 0.00 176.35 179.61 3hi1 h SER 202 N 7.93 0.00 -3.43 2.29 4.64 -1.84 -3.42 113.55 119.73 3hi1 h SER 202 Ca -0.36 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 0.58 0.00 -0.38 -0.55 -0.87 0.00 0.00 176.83 175.62 3hi1 s SER 203 N -6.11 -0.38 0.06 4.97 0.15 -1.26 -5.13 113.70 105.99 3hi1 s SER 203 Ca -0.05 0.70 -0.38 0.00 0.70 0.00 0.00 55.95 56.92 3hi1 s SER 203 Cb 0.15 0.61 -0.18 0.00 -1.71 0.00 0.00 66.02 64.90 3hi1 s SER 203 CO 0.57 -0.16 1.27 -2.65 1.20 0.00 0.00 173.24 173.46 3hi1 n PRO 204 N 3.91 0.82 -3.90 5.44 -0.02 -1.26 -4.96 135.00 135.02 3hi1 n PRO 204 Ca -0.21 0.30 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 3hi1 n PRO 204 Cb 0.55 -1.90 -0.07 0.00 -0.02 0.00 0.00 33.50 32.06 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 0.39 5.38 -0.14 -1.45 1.01 -0.53 -4.90 120.40 120.16 3hi1 s VAL 205 Ca 0.87 0.17 0.00 0.00 0.00 0.00 0.00 61.98 63.01 3hi1 s VAL 205 Cb -1.05 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.00 3hi1 s VAL 205 CO 0.50 0.59 -0.13 -0.89 0.00 0.00 0.00 175.10 175.16 3hi1 s THR 206 N -0.77 1.49 0.10 3.92 2.01 -1.26 -0.28 115.64 120.85 3hi1 s THR 206 Ca 0.13 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.59 3hi1 s THR 206 Cb -0.12 -1.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 3hi1 s THR 206 CO 0.03 0.45 0.06 -0.54 -0.69 0.00 0.00 174.62 173.92 3hi1 s LYS 207 N 1.47 2.76 0.21 4.92 -0.14 -0.23 -4.94 119.74 123.79 3hi1 s LYS 207 Ca 0.04 -0.78 -0.21 0.00 -1.36 0.00 0.00 55.97 53.66 3hi1 s LYS 207 Cb -0.13 -2.64 0.07 0.00 -1.68 0.00 0.00 37.83 33.45 3hi1 s LYS 207 CO -0.10 0.54 1.02 -1.54 -0.76 0.00 0.00 175.35 174.52 3hi1 s SER 208 N -2.48 0.02 0.27 2.83 1.04 -1.26 0.41 113.70 114.52 3hi1 s SER 208 Ca 0.28 -0.74 -0.21 0.00 0.48 0.00 0.00 55.95 55.77 3hi1 s SER 208 Cb -0.12 0.53 0.05 0.00 0.10 0.00 0.00 66.02 66.58 3hi1 s SER 208 CO 0.21 -1.07 0.83 0.72 0.98 0.00 0.00 173.24 174.92 3hi1 s PHE 209 N -2.11 -0.06 -0.09 5.02 -0.12 -0.23 -5.00 117.98 115.41 3hi1 s PHE 209 Ca 0.22 -0.43 0.03 0.00 -0.05 0.00 0.00 56.93 56.70 3hi1 s PHE 209 Cb -0.03 0.73 -0.02 0.00 -0.63 0.00 0.00 43.02 43.07 3hi1 s PHE 209 CO 0.06 -1.20 -0.16 -0.80 -0.05 0.00 0.00 175.22 173.06 3hi1 s ASN 210 N -3.03 3.78 0.34 1.98 0.01 -1.18 -1.24 114.94 115.60 3hi1 s ASN 210 Ca 0.14 -0.33 -0.28 0.00 -0.71 0.00 0.00 52.86 51.67 3hi1 s ASN 210 Cb -0.04 -1.20 -0.10 0.00 0.41 0.00 0.00 41.25 40.31 3hi1 s ASN 210 CO 0.07 0.24 1.28 -0.60 -1.51 0.00 0.00 177.10 176.57 3hi1 s ARG 211 N -0.10 4.31 0.00 -0.60 3.52 -0.58 -2.68 118.95 122.82 3hi1 s ARG 211 Ca -0.03 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 57.71 3hi1 s ARG 211 Cb -0.14 -3.01 0.00 0.00 -1.56 0.00 0.00 34.95 30.24 3hi1 s ARG 211 CO 0.04 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 174.74 3hi1 n GLY 212 N 0.81 2.24 0.00 8.12 0.00 -1.26 -4.95 105.19 110.15 3hi1 n GLY 212 Ca 0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.85 0.00 1.61 1.02 -1.09 -5.31 120.64 117.72 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 0.56 0.00 -0.02 0.00 0.00 31.44 31.98 3hi1 n GLU 213 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31