#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hs0 s SER 13 N -3.87 6.14 -1.33 0.00 1.04 -1.16 -4.92 113.70 109.61 3hs0 s SER 13 Ca 0.33 -0.36 -0.15 0.00 0.48 0.00 0.00 55.95 56.25 3hs0 s SER 13 Cb -0.08 -2.56 -0.01 0.00 0.10 0.00 0.00 66.02 63.47 3hs0 s SER 13 CO 0.26 -1.83 2.23 0.18 0.98 0.00 0.00 173.24 175.05 3hs0 n LEU 14 N 9.45 6.45 -4.17 2.42 4.77 -1.26 -4.88 117.00 129.79 3hs0 n LEU 14 Ca 0.04 -3.89 -0.20 0.00 -0.03 0.00 0.00 56.01 51.94 3hs0 n LEU 14 Cb 0.49 -1.53 -0.13 0.00 -2.33 0.00 0.00 43.42 39.92 3hs0 n LEU 14 CO 0.71 0.90 -0.47 -1.61 -1.33 0.00 0.00 177.39 175.59 3hs0 s GLU 15 N 3.46 0.91 -1.20 3.23 2.02 -1.26 -4.71 118.70 121.16 3hs0 s GLU 15 Ca 0.51 -0.87 -0.01 0.00 0.02 0.00 0.00 54.97 54.61 3hs0 s GLU 15 Cb 0.14 -0.95 0.00 0.00 0.10 0.00 0.00 34.13 33.43 3hs0 s GLU 15 CO -0.05 0.22 0.18 0.41 0.02 0.00 0.00 175.26 176.05 3hs0 n GLY 16 N 1.59 -0.21 0.00 -1.39 0.00 -1.26 -4.91 105.19 99.01 3hs0 n GLY 16 Ca -0.19 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.69 3hs0 n GLY 16 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hs0 n VAL 17 N -4.07 0.00 -1.73 1.61 0.24 -1.26 -4.99 118.33 108.13 3hs0 n VAL 17 Ca -0.14 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 61.48 3hs0 n VAL 17 Cb 0.61 0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 33.49 3hs0 n VAL 17 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3hs0 n GLU 18 N -1.73 2.61 -3.39 7.34 0.00 -1.26 -4.97 120.64 119.24 3hs0 n GLU 18 Ca -0.00 0.93 -0.41 0.00 0.00 0.00 0.00 57.16 57.67 3hs0 n GLU 18 Cb 0.33 -2.70 -0.09 0.00 0.00 0.00 0.00 31.44 28.98 3hs0 n GLU 18 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.13 178.09 3hs0 s ILE 19 N 0.01 5.16 -0.57 3.84 -4.36 -1.26 -4.63 121.20 119.38 3hs0 s ILE 19 Ca 0.65 -0.08 -0.27 0.00 -0.26 0.00 0.00 60.65 60.69 3hs0 s ILE 19 Cb -0.52 -3.87 -0.09 0.00 1.25 0.00 0.00 42.46 39.23 3hs0 s ILE 19 CO 0.48 -0.17 2.46 1.17 0.24 0.00 0.00 174.94 179.13 3hs0 n LYS 20 N 5.41 0.87 0.00 0.37 4.81 -0.77 -1.29 118.16 127.55 3hs0 n LYS 20 Ca -0.09 -0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.34 3hs0 n LYS 20 Cb 0.49 -3.14 0.00 0.00 0.02 0.00 0.00 35.03 32.40 3hs0 n LYS 20 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hs0 n GLY 21 N 6.09 1.23 0.00 3.14 0.00 -1.26 -2.25 105.19 112.15 3hs0 n GLY 21 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 3hs0 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs0 n GLY 22 N -0.57 4.04 3.75 -0.02 0.00 -0.41 -4.76 105.19 107.22 3hs0 n GLY 22 Ca 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 3hs0 n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hs0 s SER 23 N 1.68 -0.16 0.23 1.61 1.04 -1.12 -4.73 113.70 112.24 3hs0 s SER 23 Ca 0.00 -0.77 0.01 0.00 0.48 0.00 0.00 55.95 55.66 3hs0 s SER 23 Cb 0.00 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.76 3hs0 s SER 23 CO 0.00 -1.28 0.17 0.72 0.98 0.00 0.00 173.24 173.83 3hs0 s PHE 24 N -3.87 1.27 -0.03 5.02 -0.71 -1.26 -1.68 117.98 116.72 3hs0 s PHE 24 Ca 0.16 -1.43 -0.09 0.00 -1.04 0.00 0.00 56.93 54.53 3hs0 s PHE 24 Cb -0.04 -0.58 0.01 0.00 -1.21 0.00 0.00 43.02 41.21 3hs0 s PHE 24 CO 0.08 -0.70 0.19 1.03 -1.34 0.00 0.00 175.22 174.48 3hs0 s ARG 25 N -3.99 0.44 0.33 1.99 0.52 -0.80 -4.93 118.95 112.49 3hs0 s ARG 25 Ca 0.39 -0.13 -0.11 0.00 -0.52 0.00 0.00 55.73 55.36 3hs0 s ARG 25 Cb 0.06 0.19 -0.07 0.00 0.52 0.00 0.00 34.95 35.65 3hs0 s ARG 25 CO 0.15 -0.10 0.69 -0.51 0.02 0.00 0.00 175.30 175.55 3hs0 s LEU 26 N -0.87 4.00 0.22 2.53 1.43 -1.26 -0.84 118.68 123.89 3hs0 s LEU 26 Ca -0.10 1.08 -0.17 0.00 -1.03 0.00 0.00 54.13 53.92 3hs0 s LEU 26 Cb -0.05 -3.91 0.02 0.00 0.03 0.00 0.00 46.19 42.28 3hs0 s LEU 26 CO 0.02 -0.25 0.54 -0.76 0.23 0.00 0.00 176.35 176.13 3hs0 s LEU 27 N -3.35 0.10 -1.20 1.79 1.43 -0.91 -4.93 118.68 111.61 3hs0 s LEU 27 Ca 0.50 -0.63 0.00 0.00 -1.03 0.00 0.00 54.13 52.98 3hs0 s LEU 27 Cb -0.10 2.13 0.00 0.00 0.03 0.00 0.00 46.19 48.25 3hs0 s LEU 27 CO 0.25 -1.13 0.00 0.00 0.23 0.00 0.00 176.35 175.70 3hs0 n GLN 28 N -0.37 -1.66 -2.51 1.70 6.02 -1.26 -2.66 117.38 116.63 3hs0 n GLN 28 Ca -0.07 0.86 -0.03 0.00 -0.01 0.00 0.00 57.00 57.75 3hs0 n GLN 28 Cb 0.62 -5.20 0.01 0.00 1.02 0.00 0.00 30.24 26.69 3hs0 n GLN 28 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3hs0 n GLU 29 N -0.95 -1.12 -1.50 -1.09 1.02 -1.26 -4.18 120.64 111.56 3hs0 n GLU 29 Ca -0.11 0.12 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 3hs0 n GLU 29 Cb 0.56 -3.00 0.00 0.00 -0.02 0.00 0.00 31.44 28.98 3hs0 n GLU 29 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hs0 n GLY 30 N -0.82 0.73 0.00 0.62 0.00 -1.09 -4.79 105.19 99.84 3hs0 n GLY 30 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3hs0 n GLY 30 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hs0 n GLN 31 N -1.10 0.46 -3.38 1.61 1.13 -1.21 -3.88 117.38 111.02 3hs0 n GLN 31 Ca 0.00 -0.38 0.02 0.00 -1.94 0.00 0.00 57.00 54.70 3hs0 n GLN 31 Cb 0.36 -0.87 -0.05 0.00 0.11 0.00 0.00 30.24 29.80 3hs0 n GLN 31 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hs0 s ALA 32 N -0.17 -2.87 0.25 -1.58 0.00 -1.23 -3.49 121.76 112.68 3hs0 s ALA 32 Ca 0.00 1.96 0.06 0.00 0.00 0.00 0.00 51.96 53.99 3hs0 s ALA 32 Cb 0.00 -2.10 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 3hs0 s ALA 32 CO 0.00 -0.80 0.25 -0.48 0.00 0.00 0.00 175.76 174.73 3hs0 s LEU 33 N 1.98 3.95 -0.09 0.00 0.05 -1.24 -2.13 118.68 121.20 3hs0 s LEU 33 Ca -0.03 -0.17 0.03 0.00 0.05 0.00 0.00 54.13 54.02 3hs0 s LEU 33 Cb -0.03 -2.49 -0.01 0.00 -2.05 0.00 0.00 46.19 41.60 3hs0 s LEU 33 CO -0.16 -0.06 -0.20 -0.70 -0.55 0.00 0.00 176.35 174.69 3hs0 s GLU 34 N -3.89 2.94 -0.62 1.48 2.12 -0.02 -4.15 118.70 116.56 3hs0 s GLU 34 Ca 0.34 -0.80 -0.23 0.00 0.36 0.00 0.00 54.97 54.64 3hs0 s GLU 34 Cb -0.08 -2.37 0.06 0.00 0.26 0.00 0.00 34.13 32.00 3hs0 s GLU 34 CO 0.26 0.31 0.94 0.71 -0.54 0.00 0.00 175.26 176.93 3hs0 s TYR 35 N 0.06 2.73 -0.25 5.30 2.02 -0.45 -1.91 117.35 124.85 3hs0 s TYR 35 Ca -0.08 -0.40 -0.19 0.00 -0.37 0.00 0.00 57.07 56.04 3hs0 s TYR 35 Cb -0.15 -4.18 -0.03 0.00 -0.40 0.00 0.00 41.96 37.20 3hs0 s TYR 35 CO 0.05 -1.53 0.55 0.08 -1.57 0.00 0.00 175.55 173.13 3hs0 s VAL 36 N 3.94 5.06 0.26 0.71 1.01 -0.68 -4.85 120.40 125.85 3hs0 s VAL 36 Ca 0.24 0.96 0.10 0.00 0.00 0.00 0.00 61.98 63.29 3hs0 s VAL 36 Cb -0.16 -3.86 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 3hs0 s VAL 36 CO 0.13 0.09 -0.09 0.00 0.00 0.00 0.00 175.10 175.23 3hs0 s PRO 38 N -3.51 2.25 0.57 0.00 0.02 -1.26 -4.93 135.00 128.13 3hs0 s PRO 38 Ca 0.30 1.62 -0.20 0.00 0.02 0.00 0.00 61.00 62.73 3hs0 s PRO 38 Cb -0.06 -1.86 -0.05 0.00 0.02 0.00 0.00 34.50 32.55 3hs0 s PRO 38 CO 0.17 -1.72 1.19 -1.13 -0.33 0.00 0.00 177.00 175.18 3hs0 n SER 39 N -2.78 1.85 -0.09 2.53 3.41 -1.26 -2.20 113.62 115.09 3hs0 n SER 39 Ca 0.12 0.91 -0.01 0.00 -0.26 0.00 0.00 58.87 59.63 3hs0 n SER 39 Cb 0.51 -1.49 -0.00 0.00 -0.26 0.00 0.00 64.21 62.96 3hs0 n SER 39 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hs0 n GLY 40 N 0.99 0.50 3.15 5.00 0.00 -1.25 -5.02 105.19 108.57 3hs0 n GLY 40 Ca 0.12 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 3hs0 n GLY 40 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hs0 s PHE 41 N -1.98 0.21 -0.05 1.61 0.08 -0.93 -1.95 117.98 114.97 3hs0 s PHE 41 Ca 0.00 -0.58 -0.04 0.00 0.12 0.00 0.00 56.93 56.43 3hs0 s PHE 41 Cb 0.00 -0.13 0.02 0.00 -0.57 0.00 0.00 43.02 42.34 3hs0 s PHE 41 CO 0.00 -0.44 0.12 1.52 -0.10 0.00 0.00 175.22 176.32 3hs0 s TYR 42 N -3.25 -0.14 0.62 0.36 1.13 -0.58 -4.70 117.35 110.80 3hs0 s TYR 42 Ca 0.00 0.37 -0.19 0.00 -1.41 0.00 0.00 57.07 55.84 3hs0 s TYR 42 Cb 0.02 -0.01 -0.02 0.00 -1.10 0.00 0.00 41.96 40.86 3hs0 s TYR 42 CO -0.08 -0.10 1.31 -2.14 -2.51 0.00 0.00 175.55 172.03 3hs0 s PRO 43 N 0.47 2.69 0.00 -3.49 0.02 -1.26 -2.47 135.00 130.96 3hs0 s PRO 43 Ca -0.03 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.08 3hs0 s PRO 43 Cb -0.05 -1.93 0.00 0.00 0.02 0.00 0.00 34.50 32.54 3hs0 s PRO 43 CO -0.02 -1.50 0.00 0.98 -0.33 0.00 0.00 177.00 176.13 3hs0 n TYR 44 N -1.71 0.00 -1.67 6.54 4.19 -0.97 -4.67 117.16 118.87 3hs0 n TYR 44 Ca 0.15 0.00 -0.30 0.00 3.31 0.00 0.00 57.90 61.06 3hs0 n TYR 44 Cb 0.47 0.00 0.07 0.00 0.49 0.00 0.00 39.34 40.37 3hs0 n TYR 44 CO 0.00 0.00 0.00 -2.14 0.91 0.00 0.00 176.86 175.63 3hs0 s PRO 45 N 0.00 2.47 0.00 2.98 0.02 -1.26 -4.82 135.00 134.39 3hs0 s PRO 45 Ca 0.00 0.62 0.00 0.00 0.02 0.00 0.00 61.00 61.64 3hs0 s PRO 45 Cb 0.00 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.56 3hs0 s PRO 45 CO 0.00 -1.35 0.00 0.28 -0.33 0.00 0.00 177.00 175.60 3hs0 n VAL 46 N -3.24 0.00 0.25 3.83 0.31 -1.26 -4.80 118.33 113.42 3hs0 n VAL 46 Ca 0.07 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.56 3hs0 n VAL 46 Cb 0.56 0.00 0.87 0.00 -0.91 0.00 0.00 33.84 34.37 3hs0 n VAL 46 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 3hs0 h GLN 47 N 0.00 0.00 -2.19 5.55 7.50 -1.88 -3.37 115.11 120.73 3hs0 h GLN 47 Ca 0.00 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.57 3hs0 h GLN 47 Cb 0.00 0.00 -0.39 0.00 0.05 0.00 0.00 27.48 27.14 3hs0 h GLN 47 CO 0.00 0.00 -0.96 0.25 -1.50 0.00 0.00 178.83 176.62 3hs0 n THR 48 N -3.79 -0.20 -1.52 -0.54 -2.24 -1.26 -1.34 114.28 103.39 3hs0 n THR 48 Ca -0.00 -4.11 -0.40 0.00 -2.27 0.00 0.00 64.05 57.26 3hs0 n THR 48 Cb 0.22 -1.92 0.02 0.00 -2.10 0.00 0.00 70.33 66.55 3hs0 n THR 48 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hs0 n ARG 49 N 1.70 0.79 -2.60 -0.78 1.74 -1.26 -4.78 116.66 111.47 3hs0 n ARG 49 Ca 0.24 0.29 -0.13 0.00 -0.77 0.00 0.00 57.85 57.49 3hs0 n ARG 49 Cb 0.49 -1.78 0.01 0.00 -1.02 0.00 0.00 32.46 30.16 3hs0 n ARG 49 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3hs0 n THR 50 N -1.12 0.00 -4.96 0.55 -2.24 -1.26 -3.61 114.28 101.64 3hs0 n THR 50 Ca 0.11 -1.16 -0.30 0.00 -2.27 0.00 0.00 64.05 60.43 3hs0 n THR 50 Cb 0.43 -0.36 -0.15 0.00 -2.10 0.00 0.00 70.33 68.15 3hs0 n THR 50 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hs0 s ARG 52 N -1.14 2.23 -0.15 0.00 1.81 -1.26 -5.03 118.95 115.41 3hs0 s ARG 52 Ca 0.11 -2.09 0.13 0.00 -1.72 0.00 0.00 55.73 52.16 3hs0 s ARG 52 Cb -0.10 -2.05 0.64 0.00 -0.45 0.00 0.00 34.95 32.99 3hs0 s ARG 52 CO 0.02 -0.67 1.51 -1.13 -0.68 0.00 0.00 175.30 174.34 3hs0 n SER 53 N -1.79 4.52 0.01 0.23 3.41 -1.26 -3.75 113.62 115.00 3hs0 n SER 53 Ca -0.03 -2.59 0.04 0.00 -0.26 0.00 0.00 58.87 56.03 3hs0 n SER 53 Cb 0.65 -0.60 -0.11 0.00 -0.26 0.00 0.00 64.21 63.89 3hs0 n SER 53 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hs0 n THR 54 N 0.68 0.72 0.00 6.66 -2.24 -1.26 -4.99 114.28 113.85 3hs0 n THR 54 Ca 0.22 -0.63 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 3hs0 n THR 54 Cb 0.91 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3hs0 n THR 54 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hs0 n GLY 55 N 1.37 2.29 1.83 3.38 0.00 -1.25 -5.06 105.19 107.74 3hs0 n GLY 55 Ca -0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 3hs0 n GLY 55 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hs0 n SER 56 N 0.00 -1.10 -3.07 1.61 3.41 -1.26 -2.97 113.62 110.24 3hs0 n SER 56 Ca 0.00 -0.95 -0.25 0.00 -0.26 0.00 0.00 58.87 57.40 3hs0 n SER 56 Cb 0.00 -0.51 -0.05 0.00 -0.26 0.00 0.00 64.21 63.39 3hs0 n SER 56 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 3hs0 n TRP 57 N -3.48 3.19 -0.80 7.33 7.02 -1.26 -4.06 117.44 125.38 3hs0 n TRP 57 Ca 0.08 -3.98 0.00 0.00 -1.02 0.00 0.00 57.50 52.58 3hs0 n TRP 57 Cb 0.30 -0.48 0.00 0.00 -2.42 0.00 0.00 31.31 28.70 3hs0 n TRP 57 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3hs0 n SER 58 N 0.08 -0.39 -4.21 -0.99 3.41 -1.26 -4.78 113.62 105.48 3hs0 n SER 58 Ca 0.29 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.67 3hs0 n SER 58 Cb 0.44 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.26 3hs0 n SER 58 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hs0 s THR 59 N 0.00 1.45 0.02 6.66 -4.23 -1.26 -5.11 115.64 113.18 3hs0 s THR 59 Ca 0.00 -1.18 -0.30 0.00 -1.18 0.00 0.00 61.69 59.03 3hs0 s THR 59 Cb 0.00 -1.29 -0.06 0.00 1.34 0.00 0.00 72.50 72.49 3hs0 s THR 59 CO 0.00 0.08 1.44 -0.76 -0.54 0.00 0.00 174.62 174.84 3hs0 s LEU 60 N -1.29 4.33 -0.21 4.79 1.43 -1.26 -4.94 118.68 121.52 3hs0 s LEU 60 Ca 0.05 2.19 -0.04 0.00 -1.03 0.00 0.00 54.13 55.30 3hs0 s LEU 60 Cb -0.09 -3.56 0.07 0.00 0.03 0.00 0.00 46.19 42.64 3hs0 s LEU 60 CO 0.02 -0.73 0.08 -0.54 0.23 0.00 0.00 176.35 175.40 3hs0 s LYS 61 N 2.28 0.34 0.00 1.70 -0.14 -1.26 0.29 119.74 122.94 3hs0 s LYS 61 Ca 0.65 -0.37 0.00 0.00 -1.36 0.00 0.00 55.97 54.89 3hs0 s LYS 61 Cb -0.33 -1.81 0.00 0.00 -1.68 0.00 0.00 37.83 34.01 3hs0 s LYS 61 CO 0.28 -0.76 0.42 0.25 -0.76 0.00 0.00 175.35 174.78 3hs0 n THR 62 N 5.16 0.19 -0.69 2.17 -2.24 -1.22 -4.71 114.28 112.94 3hs0 n THR 62 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3hs0 n THR 62 Cb 0.46 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 3hs0 n THR 62 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hs0 n GLN 63 N 0.32 0.00 0.00 -0.78 10.64 -1.26 -4.53 117.38 121.77 3hs0 n GLN 63 Ca 0.00 0.00 0.16 0.00 -1.83 0.00 0.00 57.00 55.33 3hs0 n GLN 63 Cb 0.21 -3.12 0.87 0.00 -0.86 0.00 0.00 30.24 27.34 3hs0 n GLN 63 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3hs0 n ASP 64 N 0.00 0.21 -2.31 2.61 8.00 -1.26 -4.90 116.55 118.90 3hs0 n ASP 64 Ca 0.00 -1.00 -0.14 0.00 0.71 0.00 0.00 54.79 54.36 3hs0 n ASP 64 Cb 0.00 -0.02 -0.01 0.00 -0.02 0.00 0.00 41.12 41.07 3hs0 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hs0 n GLN 65 N -0.86 -2.01 -2.57 -1.24 6.02 -1.26 -4.97 117.38 110.48 3hs0 n GLN 65 Ca 0.22 0.71 -0.40 0.00 -0.01 0.00 0.00 57.00 57.52 3hs0 n GLN 65 Cb 0.15 -5.28 -0.05 0.00 1.02 0.00 0.00 30.24 26.09 3hs0 n GLN 65 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3hs0 s LYS 66 N -4.82 4.66 -0.07 -1.09 1.02 -1.26 -4.91 119.74 113.27 3hs0 s LYS 66 Ca 0.00 1.67 -0.30 0.00 0.02 0.00 0.00 55.97 57.36 3hs0 s LYS 66 Cb 0.00 -3.14 -0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3hs0 s LYS 66 CO 0.00 0.27 1.42 0.99 -0.92 0.00 0.00 175.35 177.11 3hs0 s THR 67 N -1.23 3.86 0.18 2.17 2.01 -1.25 -3.45 115.64 117.93 3hs0 s THR 67 Ca 0.45 1.14 0.02 0.00 0.31 0.00 0.00 61.69 63.60 3hs0 s THR 67 Cb -0.29 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 3hs0 s THR 67 CO 0.37 -0.06 0.33 -0.69 -0.69 0.00 0.00 174.62 173.88 3hs0 s VAL 68 N 3.16 5.27 -2.08 3.82 1.01 0.14 -4.98 120.40 126.75 3hs0 s VAL 68 Ca 0.63 -0.60 0.18 0.00 0.00 0.00 0.00 61.98 62.19 3hs0 s VAL 68 Cb -0.29 -3.75 0.11 0.00 0.00 0.00 0.00 36.38 32.45 3hs0 s VAL 68 CO 0.24 -0.15 1.02 0.54 0.00 0.00 0.00 175.10 176.75 3hs0 n ARG 69 N -0.69 1.52 -3.61 2.72 1.74 -1.26 -4.40 116.66 112.67 3hs0 n ARG 69 Ca -0.06 -1.40 -0.08 0.00 -0.77 0.00 0.00 57.85 55.54 3hs0 n ARG 69 Cb 0.54 -1.33 -0.06 0.00 -1.02 0.00 0.00 32.46 30.59 3hs0 n ARG 69 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3hs0 s LYS 70 N -1.60 0.43 -0.15 5.56 2.47 -1.26 -5.15 119.74 120.03 3hs0 s LYS 70 Ca 0.19 0.21 -0.07 0.00 -1.56 0.00 0.00 55.97 54.74 3hs0 s LYS 70 Cb 0.15 0.20 -0.04 0.00 -1.46 0.00 0.00 37.83 36.68 3hs0 s LYS 70 CO 0.27 -0.11 0.08 0.00 0.16 0.00 0.00 175.35 175.75 3hs0 s ALA 71 N -0.71 3.56 0.13 3.13 0.00 -1.26 -4.89 121.76 121.72 3hs0 s ALA 71 Ca 0.02 -0.72 -0.13 0.00 0.00 0.00 0.00 51.96 51.13 3hs0 s ALA 71 Cb -0.02 -1.89 0.02 0.00 0.00 0.00 0.00 23.12 21.23 3hs0 s ALA 71 CO -0.03 0.37 0.35 -1.83 0.00 0.00 0.00 175.76 174.62 3hs0 s GLU 72 N -0.25 1.07 -0.76 0.00 -1.05 -1.26 -1.85 118.70 114.60 3hs0 s GLU 72 Ca 0.09 -0.86 -0.17 0.00 -0.15 0.00 0.00 54.97 53.88 3hs0 s GLU 72 Cb -0.12 0.43 0.15 0.00 -0.44 0.00 0.00 34.13 34.16 3hs0 s GLU 72 CO 0.01 -0.40 0.83 0.00 0.95 0.00 0.00 175.26 176.65 3hs0 s ARG 74 N 1.70 3.44 0.45 0.00 0.52 -1.03 -4.74 118.95 119.29 3hs0 s ARG 74 Ca 0.19 0.33 -0.23 0.00 -0.52 0.00 0.00 55.73 55.49 3hs0 s ARG 74 Cb -0.14 -2.27 -0.08 0.00 0.52 0.00 0.00 34.95 32.99 3hs0 s ARG 74 CO -0.04 -0.41 1.18 0.00 0.02 0.00 0.00 175.30 176.05 3hs0 s ALA 75 N -2.92 3.01 0.16 2.13 0.00 -1.26 -1.53 121.76 121.35 3hs0 s ALA 75 Ca 0.51 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 53.15 3hs0 s ALA 75 Cb -0.11 -3.39 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 3hs0 s ALA 75 CO 0.48 -0.67 0.90 0.42 0.00 0.00 0.00 175.76 176.88 3hs0 s ILE 76 N -1.50 4.34 -0.04 0.00 1.01 -0.82 -4.82 121.20 119.36 3hs0 s ILE 76 Ca 0.62 1.96 0.07 0.00 0.00 0.00 0.00 60.65 63.30 3hs0 s ILE 76 Cb -0.30 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 37.89 3hs0 s ILE 76 CO 0.36 0.43 -0.25 -1.00 0.00 0.00 0.00 174.94 174.48 3hs0 s HIS 77 N -0.66 2.38 0.26 3.97 3.76 -1.26 -3.98 115.29 119.76 3hs0 s HIS 77 Ca 0.42 -0.62 -0.24 0.00 -0.15 0.00 0.00 55.06 54.46 3hs0 s HIS 77 Cb -0.24 -1.55 -0.09 0.00 1.11 0.00 0.00 32.58 31.81 3hs0 s HIS 77 CO 0.29 -0.15 0.85 0.00 -0.85 0.00 0.00 174.74 174.88 3hs0 s PRO 79 N -1.81 4.40 0.38 0.00 0.02 -1.26 -1.69 135.00 135.03 3hs0 s PRO 79 Ca 0.45 2.13 -0.26 0.00 0.02 0.00 0.00 61.00 63.34 3hs0 s PRO 79 Cb -0.19 -3.12 -0.09 0.00 0.02 0.00 0.00 34.50 31.12 3hs0 s PRO 79 CO 0.24 -0.16 1.13 0.50 -0.33 0.00 0.00 177.00 178.38 3hs0 s ARG 80 N -1.22 4.18 0.20 5.54 3.52 -1.26 -4.70 118.95 125.20 3hs0 s ARG 80 Ca 0.51 1.76 -0.31 0.00 -0.13 0.00 0.00 55.73 57.56 3hs0 s ARG 80 Cb -0.38 -2.73 -0.10 0.00 -1.56 0.00 0.00 34.95 30.18 3hs0 s ARG 80 CO 0.47 -0.19 1.49 -2.14 -0.81 0.00 0.00 175.30 174.12 3hs0 s PRO 81 N -2.21 4.25 0.25 5.12 0.02 -1.26 -4.22 135.00 136.95 3hs0 s PRO 81 Ca 0.55 2.31 0.23 0.00 0.02 0.00 0.00 61.00 64.12 3hs0 s PRO 81 Cb -0.29 -3.14 0.26 0.00 0.02 0.00 0.00 34.50 31.35 3hs0 s PRO 81 CO 0.37 -0.50 1.34 0.45 -0.33 0.00 0.00 177.00 178.33 3hs0 h HIS 82 N 5.90 0.00 -1.50 6.54 3.86 -1.92 -3.47 115.15 124.55 3hs0 h HIS 82 Ca -0.44 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 58.89 3hs0 h HIS 82 Cb 1.21 0.00 -0.23 0.00 1.06 0.00 0.00 27.41 29.45 3hs0 h HIS 82 CO 0.62 0.00 0.64 0.34 0.86 0.00 0.00 177.93 180.40 3hs0 s ASP 83 N -5.23 -0.29 -0.32 2.45 2.15 -1.26 -5.09 116.67 109.09 3hs0 s ASP 83 Ca 0.04 0.28 0.02 0.00 0.43 0.00 0.00 52.55 53.32 3hs0 s ASP 83 Cb 0.10 0.24 0.15 0.00 -0.30 0.00 0.00 42.92 43.11 3hs0 s ASP 83 CO 0.72 -0.29 0.36 0.12 -0.17 0.00 0.00 175.17 175.91 3hs0 s PHE 84 N -1.31 -0.60 0.31 -5.34 5.36 -1.26 -4.91 117.98 110.23 3hs0 s PHE 84 Ca 0.02 -0.23 -0.29 0.00 -0.96 0.00 0.00 56.93 55.46 3hs0 s PHE 84 Cb -0.01 -0.34 -0.11 0.00 -0.34 0.00 0.00 43.02 42.23 3hs0 s PHE 84 CO -0.01 -0.96 1.49 -1.21 -1.46 0.00 0.00 175.22 173.06 3hs0 s GLU 85 N 2.10 4.18 -0.96 10.12 2.02 -1.26 -3.55 118.70 131.35 3hs0 s GLU 85 Ca 0.12 2.47 0.00 0.00 0.02 0.00 0.00 54.97 57.58 3hs0 s GLU 85 Cb -0.14 -3.03 0.00 0.00 0.10 0.00 0.00 34.13 31.06 3hs0 s GLU 85 CO -0.22 -0.50 0.00 0.09 0.02 0.00 0.00 175.26 174.65 3hs0 n ASN 86 N 1.53 -3.71 -3.35 -0.19 3.02 -1.26 -4.31 115.26 106.98 3hs0 n ASN 86 Ca 0.05 0.07 0.01 0.00 -0.03 0.00 0.00 54.58 54.67 3hs0 n ASN 86 Cb 0.39 -2.71 0.01 0.00 -0.61 0.00 0.00 39.78 36.86 3hs0 n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hs0 n GLY 87 N -1.21 0.39 3.39 7.41 0.00 -1.23 -0.70 105.19 113.23 3hs0 n GLY 87 Ca -0.12 -1.05 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 3hs0 n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hs0 s GLU 88 N -2.02 1.43 0.10 1.61 0.41 -0.31 -4.87 118.70 115.05 3hs0 s GLU 88 Ca 0.25 -1.59 0.06 0.00 -0.41 0.00 0.00 54.97 53.27 3hs0 s GLU 88 Cb -0.01 -1.42 -0.03 0.00 -1.78 0.00 0.00 34.13 30.88 3hs0 s GLU 88 CO 0.01 0.27 -0.14 1.52 -0.49 0.00 0.00 175.26 176.42 3hs0 s TYR 89 N -2.50 1.32 -0.04 1.61 1.13 -1.26 -1.45 117.35 116.16 3hs0 s TYR 89 Ca 0.23 -0.51 0.00 0.00 -1.41 0.00 0.00 57.07 55.38 3hs0 s TYR 89 Cb -0.04 -0.72 0.03 0.00 -1.10 0.00 0.00 41.96 40.13 3hs0 s TYR 89 CO 0.09 0.10 -0.01 -0.46 -2.51 0.00 0.00 175.55 172.77 3hs0 s TRP 90 N -1.73 0.43 0.59 -3.49 -0.00 -0.69 -4.43 118.94 109.63 3hs0 s TRP 90 Ca 0.04 -0.05 0.01 0.00 -0.00 0.00 0.00 56.10 56.09 3hs0 s TRP 90 Cb -0.07 -0.51 0.05 0.00 -0.00 0.00 0.00 33.47 32.94 3hs0 s TRP 90 CO 0.03 -0.17 0.82 -2.14 -0.00 0.00 0.00 176.95 175.49 3hs0 s PRO 91 N 1.15 2.40 -0.45 5.86 0.02 -1.26 -0.43 135.00 142.29 3hs0 s PRO 91 Ca -0.08 -0.80 -0.12 0.00 0.02 0.00 0.00 61.00 60.02 3hs0 s PRO 91 Cb -0.13 -2.44 0.08 0.00 0.02 0.00 0.00 34.50 32.02 3hs0 s PRO 91 CO -0.02 -0.85 0.33 1.03 -0.33 0.00 0.00 177.00 177.16 3hs0 s ARG 92 N -4.85 2.76 0.26 5.54 0.52 -1.26 -4.93 118.95 116.98 3hs0 s ARG 92 Ca 0.59 -1.46 0.11 0.00 -0.52 0.00 0.00 55.73 54.44 3hs0 s ARG 92 Cb -0.10 -3.96 -0.05 0.00 0.52 0.00 0.00 34.95 31.37 3hs0 s ARG 92 CO 0.40 -1.02 -0.11 -1.12 0.02 0.00 0.00 175.30 173.46 3hs0 s SER 93 N 2.44 4.05 0.21 0.23 0.01 -1.26 -5.04 113.70 114.33 3hs0 s SER 93 Ca 0.04 -0.81 -0.10 0.00 1.31 0.00 0.00 55.95 56.39 3hs0 s SER 93 Cb -0.24 -0.57 0.27 0.00 0.21 0.00 0.00 66.02 65.69 3hs0 s SER 93 CO 0.04 0.04 1.74 -0.65 0.41 0.00 0.00 173.24 174.81 3hs0 h PRO 94 N 2.25 0.37 -3.78 12.44 0.11 -2.00 -3.46 132.00 137.93 3hs0 h PRO 94 Ca -0.43 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.46 3hs0 h PRO 94 Cb 1.25 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 3hs0 h PRO 94 CO 0.59 0.24 -0.05 1.52 -0.21 0.00 0.00 178.00 180.10 3hs0 s TYR 95 N -6.10 0.79 -0.01 0.65 1.13 -1.26 -4.52 117.35 108.03 3hs0 s TYR 95 Ca -0.13 -1.15 0.05 0.00 -1.41 0.00 0.00 57.07 54.43 3hs0 s TYR 95 Cb 0.17 0.20 -0.01 0.00 -1.10 0.00 0.00 41.96 41.22 3hs0 s TYR 95 CO 0.74 -1.28 -0.17 0.71 -2.51 0.00 0.00 175.55 173.04 3hs0 s TYR 96 N -2.80 1.55 0.66 -3.49 2.02 -0.68 -4.94 117.35 109.67 3hs0 s TYR 96 Ca 0.26 -0.30 -0.10 0.00 -0.37 0.00 0.00 57.07 56.57 3hs0 s TYR 96 Cb -0.02 -0.99 0.01 0.00 -0.40 0.00 0.00 41.96 40.56 3hs0 s TYR 96 CO 0.18 -0.02 1.03 -0.80 -1.57 0.00 0.00 175.55 174.37 3hs0 s ASN 97 N -0.48 5.53 0.17 2.29 0.01 -1.26 -0.98 114.94 120.22 3hs0 s ASN 97 Ca 0.06 1.00 -0.32 0.00 -0.71 0.00 0.00 52.86 52.89 3hs0 s ASN 97 Cb -0.07 -1.88 -0.12 0.00 0.41 0.00 0.00 41.25 39.59 3hs0 s ASN 97 CO -0.00 -1.23 1.72 0.52 -1.51 0.00 0.00 177.10 176.60 3hs0 n VAL 98 N -2.85 0.10 -1.06 1.60 0.31 -1.26 -1.90 118.33 113.27 3hs0 n VAL 98 Ca 0.06 -0.02 -0.02 0.00 -0.01 0.00 0.00 64.34 64.35 3hs0 n VAL 98 Cb 0.57 -1.91 -0.01 0.00 -0.91 0.00 0.00 33.84 31.59 3hs0 n VAL 98 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3hs0 n SER 99 N 4.29 -3.91 -4.77 4.52 3.41 0.75 -4.99 113.62 112.93 3hs0 n SER 99 Ca 0.17 0.05 -0.39 0.00 -0.26 0.00 0.00 58.87 58.44 3hs0 n SER 99 Cb 0.34 -1.59 -0.04 0.00 -0.26 0.00 0.00 64.21 62.66 3hs0 n SER 99 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hs0 s ASP 100 N -2.28 7.00 0.04 4.04 1.11 -0.80 -4.77 116.67 121.01 3hs0 s ASP 100 Ca 0.00 2.25 0.03 0.00 0.18 0.00 0.00 52.55 55.01 3hs0 s ASP 100 Cb 0.00 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 3hs0 s ASP 100 CO 0.00 -0.33 -0.03 -0.70 1.18 0.00 0.00 175.17 175.29 3hs0 s GLU 101 N -1.85 2.59 0.02 8.23 2.12 -1.26 -1.08 118.70 127.47 3hs0 s GLU 101 Ca 0.50 -0.75 0.02 0.00 0.36 0.00 0.00 54.97 55.10 3hs0 s GLU 101 Cb -0.30 -2.55 -0.01 0.00 0.26 0.00 0.00 34.13 31.53 3hs0 s GLU 101 CO 0.38 0.58 -0.08 -1.50 -0.54 0.00 0.00 175.26 174.10 3hs0 s ILE 102 N -1.15 0.59 0.14 -3.70 2.07 -0.42 -4.55 121.20 114.18 3hs0 s ILE 102 Ca 0.21 -0.63 0.09 0.00 -1.41 0.00 0.00 60.65 58.91 3hs0 s ILE 102 Cb -0.11 -0.55 -0.04 0.00 0.13 0.00 0.00 42.46 41.88 3hs0 s ILE 102 CO 0.13 -0.05 -0.20 -0.44 -1.91 0.00 0.00 174.94 172.47 3hs0 s SER 103 N -0.74 2.67 -0.02 4.50 0.01 0.43 -1.37 113.70 119.18 3hs0 s SER 103 Ca -0.02 -0.78 0.07 0.00 1.31 0.00 0.00 55.95 56.53 3hs0 s SER 103 Cb -0.06 -0.16 -0.02 0.00 0.21 0.00 0.00 66.02 66.00 3hs0 s SER 103 CO 0.00 0.02 -0.22 -0.36 0.41 0.00 0.00 173.24 173.09 3hs0 s PHE 104 N -1.60 1.96 -0.01 2.43 0.08 -0.27 -1.70 117.98 118.88 3hs0 s PHE 104 Ca 0.12 -0.38 0.00 0.00 0.12 0.00 0.00 56.93 56.79 3hs0 s PHE 104 Cb -0.08 -1.26 0.01 0.00 -0.57 0.00 0.00 43.02 41.12 3hs0 s PHE 104 CO 0.06 -0.04 0.00 -1.01 -0.10 0.00 0.00 175.22 174.13 3hs0 s HIS 105 N -0.50 0.09 0.04 0.36 3.76 -0.53 -4.89 115.29 113.63 3hs0 s HIS 105 Ca 0.08 0.02 -0.11 0.00 -0.15 0.00 0.00 55.06 54.91 3hs0 s HIS 105 Cb -0.09 -0.14 -0.06 0.00 1.11 0.00 0.00 32.58 33.41 3hs0 s HIS 105 CO -0.01 -0.04 0.38 0.00 -0.85 0.00 0.00 174.74 174.22 3hs0 s TYR 107 N -1.28 1.91 0.10 0.00 2.02 0.12 -4.89 117.35 115.33 3hs0 s TYR 107 Ca 0.29 1.60 -0.32 0.00 -0.37 0.00 0.00 57.07 58.27 3hs0 s TYR 107 Cb -0.15 -3.57 -0.12 0.00 -0.40 0.00 0.00 41.96 37.73 3hs0 s TYR 107 CO 0.16 -2.88 1.78 -0.25 -1.57 0.00 0.00 175.55 172.79 3hs0 n ASP 108 N -2.76 3.74 0.00 2.29 8.00 -1.26 -1.80 116.55 124.76 3hs0 n ASP 108 Ca 0.14 1.01 0.00 0.00 0.71 0.00 0.00 54.79 56.65 3hs0 n ASP 108 Cb 0.50 -1.49 0.00 0.00 -0.02 0.00 0.00 41.12 40.10 3hs0 n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hs0 n GLY 109 N 4.07 0.72 3.35 0.44 0.00 -1.26 -5.08 105.19 107.43 3hs0 n GLY 109 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 3hs0 n GLY 109 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hs0 s TYR 110 N -2.00 2.35 0.01 1.61 2.02 -0.75 -4.62 117.35 115.97 3hs0 s TYR 110 Ca 0.00 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 3hs0 s TYR 110 Cb 0.00 -1.41 -0.04 0.00 -0.40 0.00 0.00 41.96 40.11 3hs0 s TYR 110 CO 0.00 0.12 -0.04 0.99 -1.57 0.00 0.00 175.55 175.05 3hs0 s THR 111 N -0.79 3.86 -0.10 -0.71 2.01 0.97 -4.71 115.64 116.16 3hs0 s THR 111 Ca 0.12 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.22 3hs0 s THR 111 Cb -0.10 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.65 3hs0 s THR 111 CO 0.02 0.36 0.41 -0.22 -0.69 0.00 0.00 174.62 174.49 3hs0 s LEU 112 N -1.56 4.31 0.17 4.42 0.20 -1.26 -2.04 118.68 122.92 3hs0 s LEU 112 Ca 0.19 0.76 0.07 0.00 0.69 0.00 0.00 54.13 55.84 3hs0 s LEU 112 Cb -0.11 -2.58 -0.04 0.00 -0.43 0.00 0.00 46.19 43.03 3hs0 s LEU 112 CO 0.09 0.10 -0.02 -0.13 -0.29 0.00 0.00 176.35 176.11 3hs0 s ARG 113 N 0.19 2.36 2.13 1.98 0.52 -0.27 -4.99 118.95 120.86 3hs0 s ARG 113 Ca 0.23 -1.12 0.00 0.00 -0.52 0.00 0.00 55.73 54.32 3hs0 s ARG 113 Cb -0.15 -2.34 0.00 0.00 0.52 0.00 0.00 34.95 32.99 3hs0 s ARG 113 CO 0.09 0.46 0.00 0.41 0.02 0.00 0.00 175.30 176.28 3hs0 n GLY 114 N -0.06 -1.34 3.57 -3.53 0.00 -1.26 -2.07 105.19 100.51 3hs0 n GLY 114 Ca -0.10 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.21 3hs0 n GLY 114 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hs0 s SER 115 N -4.00 6.53 0.10 1.61 0.01 -0.96 -4.92 113.70 112.07 3hs0 s SER 115 Ca 0.00 0.20 -0.15 0.00 1.31 0.00 0.00 55.95 57.30 3hs0 s SER 115 Cb 0.00 -2.46 -0.07 0.00 0.21 0.00 0.00 66.02 63.70 3hs0 s SER 115 CO 0.00 -1.03 1.46 0.00 0.41 0.00 0.00 173.24 174.08 3hs0 h ALA 116 N 9.00 0.44 -3.30 1.44 0.00 -1.88 -3.41 119.26 121.54 3hs0 h ALA 116 Ca -0.24 -0.34 -0.64 0.00 0.00 0.00 0.00 54.91 53.69 3hs0 h ALA 116 Cb 1.08 -0.10 -0.24 0.00 0.00 0.00 0.00 17.79 18.52 3hs0 h ALA 116 CO 1.02 0.35 -0.71 -0.80 0.00 0.00 0.00 179.25 179.12 3hs0 s ASN 117 N -6.37 4.48 0.13 0.00 0.01 -1.26 -1.12 114.94 110.81 3hs0 s ASN 117 Ca -0.13 -0.21 0.08 0.00 -0.71 0.00 0.00 52.86 51.89 3hs0 s ASN 117 Cb 0.09 -1.71 -0.04 0.00 0.41 0.00 0.00 41.25 39.99 3hs0 s ASN 117 CO 0.81 0.16 -0.19 -0.13 -1.51 0.00 0.00 177.10 176.24 3hs0 s ARG 118 N 0.39 1.17 -0.01 -0.60 0.52 -0.47 -4.87 118.95 115.08 3hs0 s ARG 118 Ca -0.07 -1.27 0.06 0.00 -0.52 0.00 0.00 55.73 53.93 3hs0 s ARG 118 Cb -0.15 -1.28 -0.01 0.00 0.52 0.00 0.00 34.95 34.03 3hs0 s ARG 118 CO 0.04 0.27 -0.18 0.99 0.02 0.00 0.00 175.30 176.44 3hs0 s THR 119 N -1.69 1.41 -0.35 0.02 2.01 -1.26 -1.30 115.64 114.48 3hs0 s THR 119 Ca 0.11 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 3hs0 s THR 119 Cb -0.07 -1.18 -0.00 0.00 0.01 0.00 0.00 72.50 71.25 3hs0 s THR 119 CO 0.05 0.38 1.57 0.00 -0.69 0.00 0.00 174.62 175.93 3hs0 s GLN 121 N 5.14 2.83 0.00 0.00 -0.21 -0.97 -0.18 119.66 126.27 3hs0 s GLN 121 Ca 0.69 0.09 0.11 0.00 0.02 0.00 0.00 55.36 56.27 3hs0 s GLN 121 Cb -0.18 -2.20 0.56 0.00 1.00 0.00 0.00 33.01 32.19 3hs0 s GLN 121 CO 0.32 -0.84 1.28 0.28 -2.12 0.00 0.00 175.29 174.21 3hs0 n VAL 122 N -2.73 0.81 0.71 1.09 0.31 -1.26 -2.06 118.33 115.20 3hs0 n VAL 122 Ca 0.05 0.20 0.08 0.00 -0.01 0.00 0.00 64.34 64.67 3hs0 n VAL 122 Cb 0.58 -1.01 -0.10 0.00 -0.91 0.00 0.00 33.84 32.39 3hs0 n VAL 122 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 3hs0 n ASN 123 N -1.32 0.82 0.00 4.52 6.94 -1.26 -3.78 115.26 121.18 3hs0 n ASN 123 Ca 0.05 -0.80 0.00 0.00 -0.02 0.00 0.00 54.58 53.81 3hs0 n ASN 123 Cb 0.10 1.09 0.00 0.00 -2.36 0.00 0.00 39.78 38.61 3hs0 n ASN 123 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hs0 n GLY 124 N 1.41 0.60 3.90 4.83 0.00 -0.88 -4.74 105.19 110.31 3hs0 n GLY 124 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3hs0 n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hs0 s ARG 125 N -0.77 3.57 0.29 1.61 1.81 -1.26 -4.49 118.95 119.71 3hs0 s ARG 125 Ca 0.00 -0.15 -0.27 0.00 -1.72 0.00 0.00 55.73 53.59 3hs0 s ARG 125 Cb 0.00 -2.99 -0.10 0.00 -0.45 0.00 0.00 34.95 31.41 3hs0 s ARG 125 CO 0.00 0.58 0.94 -1.58 -0.68 0.00 0.00 175.30 174.56 3hs0 s TRP 126 N -1.46 3.80 1.10 -0.53 0.52 -1.26 -2.29 118.94 118.83 3hs0 s TRP 126 Ca 0.34 1.83 -0.16 0.00 0.02 0.00 0.00 56.10 58.13 3hs0 s TRP 126 Cb -0.13 -2.94 0.24 0.00 -1.15 0.00 0.00 33.47 29.49 3hs0 s TRP 126 CO 0.21 0.31 1.11 -1.54 0.02 0.00 0.00 176.95 177.06 3hs0 s SER 127 N -1.45 1.76 0.99 2.95 1.04 -0.13 -4.83 113.70 114.03 3hs0 s SER 127 Ca 0.47 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.78 3hs0 s SER 127 Cb -0.21 -1.33 0.00 0.00 0.10 0.00 0.00 66.02 64.58 3hs0 s SER 127 CO 0.27 -3.63 0.00 0.61 0.98 0.00 0.00 173.24 171.46 3hs0 n GLY 128 N -1.08 1.18 3.29 7.32 0.00 -1.26 -4.55 105.19 110.09 3hs0 n GLY 128 Ca 0.09 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 3hs0 n GLY 128 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hs0 s GLN 129 N 0.00 1.20 0.05 1.61 1.11 -1.26 -5.01 119.66 117.36 3hs0 s GLN 129 Ca 0.00 -1.56 -0.37 0.00 0.01 0.00 0.00 55.36 53.44 3hs0 s GLN 129 Cb 0.00 -0.65 -0.17 0.00 -1.01 0.00 0.00 33.01 31.17 3hs0 s GLN 129 CO 0.00 0.01 1.32 2.41 0.01 0.00 0.00 175.29 179.04 3hs0 n THR 130 N -0.30 0.01 -3.07 -0.19 -1.04 -1.26 -2.26 114.28 106.17 3hs0 n THR 130 Ca -0.08 -0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.54 3hs0 n THR 130 Cb 0.62 -0.72 -0.05 0.00 -1.82 0.00 0.00 70.33 68.36 3hs0 n THR 130 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hs0 s ALA 131 N 0.56 3.44 -0.04 2.41 0.00 -1.26 -4.19 121.76 122.67 3hs0 s ALA 131 Ca 0.86 0.20 0.00 0.00 0.00 0.00 0.00 51.96 53.03 3hs0 s ALA 131 Cb -1.01 -2.89 0.03 0.00 0.00 0.00 0.00 23.12 19.25 3hs0 s ALA 131 CO 0.49 0.16 -0.01 0.42 0.00 0.00 0.00 175.76 176.83 3hs0 s ILE 132 N -0.38 0.29 -0.40 0.00 1.01 -0.88 -4.58 121.20 116.26 3hs0 s ILE 132 Ca 0.35 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.95 3hs0 s ILE 132 Cb -0.20 -0.38 0.05 0.00 0.01 0.00 0.00 42.46 41.93 3hs0 s ILE 132 CO 0.22 0.19 0.24 0.00 0.00 0.00 0.00 174.94 175.58 3hs0 s ASP 134 N 1.83 0.85 0.00 0.00 2.15 -0.87 -4.71 116.67 115.92 3hs0 s ASP 134 Ca 0.02 -1.23 0.00 0.00 0.43 0.00 0.00 52.55 51.78 3hs0 s ASP 134 Cb -0.21 0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.61 3hs0 s ASP 134 CO 0.05 -0.66 0.50 -0.46 -0.17 0.00 0.00 175.17 174.43 3hs0 n ASN 135 N -0.22 0.86 0.00 -0.34 6.94 -1.26 -0.02 115.26 121.22 3hs0 n ASN 135 Ca -0.05 -1.23 0.00 0.00 -0.02 0.00 0.00 54.58 53.29 3hs0 n ASN 135 Cb 0.64 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.06 3hs0 n ASN 135 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hs0 n GLY 136 N -0.11 0.44 0.27 4.83 0.00 -1.26 -4.83 105.19 104.53 3hs0 n GLY 136 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3hs0 n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hs0 h ALA 137 N 0.00 1.25 -2.45 4.61 0.00 -1.94 -3.44 119.26 117.29 3hs0 h ALA 137 Ca 0.00 -0.08 -0.48 0.00 0.00 0.00 0.00 54.91 54.35 3hs0 h ALA 137 Cb 0.19 -0.01 0.12 0.00 0.00 0.00 0.00 17.79 18.09 3hs0 h ALA 137 CO 0.00 0.11 0.32 0.20 0.00 0.00 0.00 179.25 179.88 3hs0 s GLY 138 N -4.18 1.60 0.10 0.00 0.00 -1.26 -4.97 107.32 98.61 3hs0 s GLY 138 Ca -0.03 -0.35 0.04 0.00 0.00 0.00 0.00 44.72 44.38 3hs0 s GLY 138 CO 0.56 0.14 1.22 -1.82 0.00 0.00 0.00 173.10 173.20 3hs0 h TYR 139 N -1.28 0.13 -2.82 1.90 3.20 -1.85 -3.44 116.97 112.82 3hs0 h TYR 139 Ca -0.49 -0.10 -0.62 0.00 3.14 0.00 0.00 58.73 60.67 3hs0 h TYR 139 Cb 1.30 -0.01 -0.14 0.00 1.54 0.00 0.00 36.73 39.42 3hs0 h TYR 139 CO 0.39 1.08 -0.73 0.00 -1.64 0.00 0.00 178.16 177.26 3hs0 s SER 141 N -3.02 4.52 0.03 0.00 1.04 -1.26 -4.91 113.70 110.11 3hs0 s SER 141 Ca 0.26 2.07 -0.30 0.00 0.48 0.00 0.00 55.95 58.46 3hs0 s SER 141 Cb -0.08 -2.56 -0.09 0.00 0.10 0.00 0.00 66.02 63.40 3hs0 s SER 141 CO 0.15 -2.03 1.96 0.21 0.98 0.00 0.00 173.24 174.52 3hs0 s ASN 142 N -2.62 6.43 0.02 7.02 3.84 -1.26 -4.85 114.94 123.51 3hs0 s ASN 142 Ca 0.68 2.63 0.19 0.00 0.21 0.00 0.00 52.86 56.57 3hs0 s ASN 142 Cb -0.22 -2.53 0.82 0.00 -0.55 0.00 0.00 41.25 38.77 3hs0 s ASN 142 CO 0.47 -1.08 1.62 -2.65 -2.79 0.00 0.00 177.10 172.67 3hs0 n PRO 143 N 7.57 0.01 0.00 0.43 -0.02 -1.26 -4.99 135.00 136.75 3hs0 n PRO 143 Ca 0.20 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 3hs0 n PRO 143 Cb 0.41 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3hs0 n PRO 143 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hs0 n GLY 144 N 0.46 -1.23 2.71 -1.23 0.00 -1.26 -4.88 105.19 99.75 3hs0 n GLY 144 Ca 0.04 -1.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 3hs0 n GLY 144 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hs0 s ILE 145 N -1.65 0.87 0.09 -0.61 1.01 -1.26 -5.01 121.20 114.65 3hs0 s ILE 145 Ca 0.00 -1.53 -0.34 0.00 0.00 0.00 0.00 60.65 58.78 3hs0 s ILE 145 Cb 0.00 -1.66 -0.13 0.00 0.01 0.00 0.00 42.46 40.68 3hs0 s ILE 145 CO 0.00 -0.72 1.69 -2.65 0.00 0.00 0.00 174.94 173.26 3hs0 n PRO 146 N 4.66 2.24 -1.69 2.79 -0.02 -1.26 -4.79 135.00 136.93 3hs0 n PRO 146 Ca -0.00 0.81 -0.53 0.00 -2.02 0.00 0.00 63.50 61.76 3hs0 n PRO 146 Cb 0.41 -2.62 -0.06 0.00 -0.02 0.00 0.00 33.50 31.21 3hs0 n PRO 146 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3hs0 n ILE 147 N 4.04 0.41 0.00 4.25 5.41 -1.26 -1.27 119.36 130.93 3hs0 n ILE 147 Ca 0.19 -0.07 0.00 0.00 1.00 0.00 0.00 62.75 63.86 3hs0 n ILE 147 Cb 0.30 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 3hs0 n ILE 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hs0 n GLY 148 N 4.21 2.07 3.94 7.39 0.00 -1.26 -4.72 105.19 116.82 3hs0 n GLY 148 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 3hs0 n GLY 148 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hs0 s THR 149 N -1.85 3.11 -0.04 2.61 -4.23 -0.40 -4.34 115.64 110.51 3hs0 s THR 149 Ca 0.00 -1.16 0.06 0.00 -1.18 0.00 0.00 61.69 59.41 3hs0 s THR 149 Cb 0.00 -3.08 -0.01 0.00 1.34 0.00 0.00 72.50 70.75 3hs0 s THR 149 CO 0.00 -0.05 -0.23 -0.13 -0.54 0.00 0.00 174.62 173.68 3hs0 s ARG 150 N -4.21 2.18 -0.07 3.99 0.52 -0.61 -4.44 118.95 116.30 3hs0 s ARG 150 Ca 0.50 -0.82 0.05 0.00 -0.52 0.00 0.00 55.73 54.93 3hs0 s ARG 150 Cb -0.07 -1.93 -0.01 0.00 0.52 0.00 0.00 34.95 33.46 3hs0 s ARG 150 CO 0.30 0.39 -0.22 0.21 0.02 0.00 0.00 175.30 176.01 3hs0 s LYS 151 N -0.25 2.73 -0.29 3.54 2.20 -1.26 -2.07 119.74 124.34 3hs0 s LYS 151 Ca 0.01 -0.85 0.02 0.00 -0.36 0.00 0.00 55.97 54.79 3hs0 s LYS 151 Cb -0.12 -2.27 0.07 0.00 -1.51 0.00 0.00 37.83 34.00 3hs0 s LYS 151 CO 0.02 0.36 -0.04 0.08 -0.36 0.00 0.00 175.35 175.41 3hs0 s VAL 152 N -0.09 2.46 0.00 4.02 1.01 -0.15 -4.98 120.40 122.66 3hs0 s VAL 152 Ca -0.05 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.21 3hs0 s VAL 152 Cb -0.14 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.72 3hs0 s VAL 152 CO 0.04 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.56 3hs0 n GLY 153 N 4.46 4.32 0.00 4.51 0.00 -1.26 -1.93 105.19 115.29 3hs0 n GLY 153 Ca -0.10 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3hs0 n GLY 153 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hs0 n SER 154 N 0.00 0.00 -4.57 1.61 3.41 -1.26 -4.93 113.62 107.88 3hs0 n SER 154 Ca 0.00 -1.00 -0.37 0.00 -0.26 0.00 0.00 58.87 57.24 3hs0 n SER 154 Cb 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.84 3hs0 n SER 154 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3hs0 s GLN 155 N 0.00 3.89 -0.55 4.33 -1.52 -1.26 -5.00 119.66 119.56 3hs0 s GLN 155 Ca 0.00 -0.35 0.03 0.00 -1.95 0.00 0.00 55.36 53.08 3hs0 s GLN 155 Cb 0.00 -3.55 0.42 0.00 -0.22 0.00 0.00 33.01 29.65 3hs0 s GLN 155 CO 0.00 -0.14 1.51 0.66 -0.25 0.00 0.00 175.29 177.07 3hs0 n TYR 156 N 4.89 3.13 -2.24 0.91 4.01 -1.26 -4.68 117.16 121.93 3hs0 n TYR 156 Ca -0.15 -2.70 -0.27 0.00 -0.16 0.00 0.00 57.90 54.63 3hs0 n TYR 156 Cb 0.52 -0.64 0.13 0.00 -0.31 0.00 0.00 39.34 39.04 3hs0 n TYR 156 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 3hs0 s ARG 157 N -3.74 1.42 0.18 -0.72 0.52 -1.26 -2.68 118.95 112.66 3hs0 s ARG 157 Ca 0.52 -0.62 -0.31 0.00 -0.52 0.00 0.00 55.73 54.80 3hs0 s ARG 157 Cb 0.43 -2.10 -0.10 0.00 0.52 0.00 0.00 34.95 33.69 3hs0 s ARG 157 CO -0.17 -1.76 1.58 -1.17 0.02 0.00 0.00 175.30 173.79 3hs0 s LEU 158 N -5.46 4.37 -0.99 2.53 2.96 -1.26 -2.04 118.68 118.79 3hs0 s LEU 158 Ca 0.68 2.66 0.00 0.00 -0.22 0.00 0.00 54.13 57.24 3hs0 s LEU 158 Cb -0.06 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 43.03 3hs0 s LEU 158 CO 0.48 -0.83 0.00 -0.62 -1.32 0.00 0.00 176.35 174.05 3hs0 n GLU 159 N 3.81 -0.78 -3.41 1.98 -0.58 0.21 -5.00 120.64 116.87 3hs0 n GLU 159 Ca 0.13 0.80 -0.38 0.00 -0.42 0.00 0.00 57.16 57.29 3hs0 n GLU 159 Cb 0.38 -4.73 -0.06 0.00 -0.57 0.00 0.00 31.44 26.47 3hs0 n GLU 159 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hs0 s ASP 160 N -2.77 6.82 0.17 1.62 1.01 -0.87 -4.77 116.67 117.88 3hs0 s ASP 160 Ca 0.00 0.97 0.08 0.00 0.71 0.00 0.00 52.55 54.31 3hs0 s ASP 160 Cb 0.00 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.61 3hs0 s ASP 160 CO 0.00 0.23 -0.03 -0.44 0.21 0.00 0.00 175.17 175.14 3hs0 s SER 161 N -0.62 4.62 0.07 0.27 0.01 -1.26 -0.69 113.70 116.11 3hs0 s SER 161 Ca 0.25 -0.43 0.07 0.00 1.31 0.00 0.00 55.95 57.15 3hs0 s SER 161 Cb -0.17 -0.93 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 3hs0 s SER 161 CO 0.13 0.10 -0.19 0.68 0.41 0.00 0.00 173.24 174.37 3hs0 s VAL 162 N -1.66 1.57 0.08 3.43 -7.23 0.01 -4.78 120.40 111.81 3hs0 s VAL 162 Ca 0.26 -1.36 0.10 0.00 -1.81 0.00 0.00 61.98 59.17 3hs0 s VAL 162 Cb -0.09 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 3hs0 s VAL 162 CO 0.17 0.01 -0.26 0.42 -0.31 0.00 0.00 175.10 175.13 3hs0 s THR 163 N -1.03 2.15 0.12 5.32 -4.23 -0.81 -1.31 115.64 115.84 3hs0 s THR 163 Ca 0.05 -1.52 0.10 0.00 -1.18 0.00 0.00 61.69 59.15 3hs0 s THR 163 Cb -0.09 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 3hs0 s THR 163 CO 0.03 0.25 -0.26 -0.31 -0.54 0.00 0.00 174.62 173.79 3hs0 s TYR 164 N -0.90 2.24 0.31 3.99 2.02 -0.50 -0.98 117.35 123.53 3hs0 s TYR 164 Ca 0.12 -0.39 -0.05 0.00 -0.37 0.00 0.00 57.07 56.39 3hs0 s TYR 164 Cb -0.10 -1.23 -0.00 0.00 -0.40 0.00 0.00 41.96 40.23 3hs0 s TYR 164 CO 0.03 0.30 0.46 -3.38 -1.57 0.00 0.00 175.55 171.39 3hs0 s HIS 165 N -1.04 0.90 0.16 2.71 -3.43 -0.88 -4.80 115.29 108.90 3hs0 s HIS 165 Ca 0.13 -1.17 0.09 0.00 -0.80 0.00 0.00 55.06 53.31 3hs0 s HIS 165 Cb -0.10 -0.04 -0.04 0.00 -1.43 0.00 0.00 32.58 30.97 3hs0 s HIS 165 CO 0.05 -1.08 -0.18 0.00 -2.00 0.00 0.00 174.74 171.53 3hs0 n SER 167 N 0.31 2.78 -4.63 0.00 7.64 -1.26 -4.79 113.62 113.67 3hs0 n SER 167 Ca -0.13 0.93 -0.54 0.00 1.01 0.00 0.00 58.87 60.14 3hs0 n SER 167 Cb 0.57 -1.25 -0.06 0.00 -1.01 0.00 0.00 64.21 62.45 3hs0 n SER 167 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hs0 n ARG 168 N 6.36 1.18 0.00 1.43 1.74 -1.26 -0.97 116.66 125.14 3hs0 n ARG 168 Ca 0.27 0.43 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 3hs0 n ARG 168 Cb 0.21 -2.09 0.00 0.00 -1.02 0.00 0.00 32.46 29.56 3hs0 n ARG 168 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hs0 n GLY 169 N 3.07 3.38 3.85 -0.13 0.00 -1.26 -5.08 105.19 109.01 3hs0 n GLY 169 Ca 0.21 -0.88 -0.31 0.00 0.00 0.00 0.00 46.02 45.04 3hs0 n GLY 169 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hs0 s LEU 170 N 0.00 3.00 0.13 0.99 1.02 -0.14 -4.90 118.68 118.79 3hs0 s LEU 170 Ca 0.00 1.39 0.08 0.00 0.02 0.00 0.00 54.13 55.62 3hs0 s LEU 170 Cb 0.00 -4.25 -0.04 0.00 0.02 0.00 0.00 46.19 41.93 3hs0 s LEU 170 CO 0.00 -1.36 -0.20 0.42 0.02 0.00 0.00 176.35 175.23 3hs0 s THR 171 N -3.18 1.77 -0.10 5.49 -4.23 -1.08 -4.78 115.64 109.54 3hs0 s THR 171 Ca 0.58 -1.73 -0.20 0.00 -1.18 0.00 0.00 61.69 59.16 3hs0 s THR 171 Cb -0.13 -1.70 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 3hs0 s THR 171 CO 0.54 -0.18 0.55 -0.22 -0.54 0.00 0.00 174.62 174.77 3hs0 s LEU 172 N -2.27 4.29 0.06 4.79 2.96 -1.26 -2.18 118.68 125.07 3hs0 s LEU 172 Ca 0.11 0.94 0.05 0.00 -0.22 0.00 0.00 54.13 55.01 3hs0 s LEU 172 Cb -0.08 -2.82 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 3hs0 s LEU 172 CO 0.05 -0.03 -0.05 -0.60 -1.32 0.00 0.00 176.35 174.40 3hs0 s ARG 173 N 0.64 2.44 1.14 1.98 3.52 -0.70 -4.80 118.95 123.16 3hs0 s ARG 173 Ca 0.30 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 3hs0 s ARG 173 Cb -0.16 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.76 3hs0 s ARG 173 CO 0.13 0.56 0.00 0.41 -0.81 0.00 0.00 175.30 175.59 3hs0 n GLY 174 N 1.01 -1.78 3.71 8.12 0.00 -1.26 -1.49 105.19 113.50 3hs0 n GLY 174 Ca -0.13 -1.54 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 3hs0 n GLY 174 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hs0 s SER 175 N -4.00 7.16 0.06 1.61 0.01 -1.05 -4.91 113.70 112.59 3hs0 s SER 175 Ca 0.00 1.88 0.25 0.00 1.31 0.00 0.00 55.95 59.40 3hs0 s SER 175 Cb 0.00 -2.57 0.53 0.00 0.21 0.00 0.00 66.02 64.19 3hs0 s SER 175 CO 0.00 -0.42 1.45 0.00 0.41 0.00 0.00 173.24 174.68 3hs0 n GLN 176 N 4.06 0.14 -3.80 12.44 -0.00 -1.26 -4.41 117.38 124.54 3hs0 n GLN 176 Ca 0.08 0.05 -0.14 0.00 -0.00 0.00 0.00 57.00 56.99 3hs0 n GLN 176 Cb 0.48 -1.59 -0.15 0.00 -0.00 0.00 0.00 30.24 28.97 3hs0 n GLN 176 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 3hs0 s ARG 177 N -3.08 0.00 -0.07 2.61 3.52 -1.26 -1.40 118.95 119.26 3hs0 s ARG 177 Ca 0.09 0.17 0.02 0.00 -0.13 0.00 0.00 55.73 55.88 3hs0 s ARG 177 Cb 0.16 -0.15 0.02 0.00 -1.56 0.00 0.00 34.95 33.41 3hs0 s ARG 177 CO 0.69 -0.12 -0.10 1.03 -0.81 0.00 0.00 175.30 175.98 3hs0 s ARG 178 N 0.75 1.58 -0.10 5.12 0.52 -0.43 -4.74 118.95 121.65 3hs0 s ARG 178 Ca -0.06 -0.35 -0.04 0.00 -0.52 0.00 0.00 55.73 54.76 3hs0 s ARG 178 Cb -0.09 -1.40 -0.04 0.00 0.52 0.00 0.00 34.95 33.95 3hs0 s ARG 178 CO -0.02 -0.05 0.05 0.99 0.02 0.00 0.00 175.30 176.28 3hs0 s THR 179 N 0.93 4.71 -0.29 0.02 2.01 -1.26 -0.81 115.64 120.95 3hs0 s THR 179 Ca -0.10 -0.09 -0.29 0.00 0.31 0.00 0.00 61.69 61.52 3hs0 s THR 179 Cb -0.15 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.34 3hs0 s THR 179 CO 0.01 0.60 1.44 0.00 -0.69 0.00 0.00 174.62 175.98 3hs0 s GLN 181 N 4.51 3.03 0.45 0.00 -0.21 -0.50 -0.61 119.66 126.34 3hs0 s GLN 181 Ca 0.63 -0.93 0.24 0.00 0.02 0.00 0.00 55.36 55.33 3hs0 s GLN 181 Cb -0.19 -2.66 1.26 0.00 1.00 0.00 0.00 33.01 32.41 3hs0 s GLN 181 CO 0.27 0.44 1.81 1.49 -2.12 0.00 0.00 175.29 177.18 3hs0 h GLU 182 N 1.75 0.24 -0.60 2.91 4.81 -1.95 0.16 114.58 121.89 3hs0 h GLU 182 Ca -0.49 -0.01 0.14 0.00 -0.13 0.00 0.00 59.36 58.87 3hs0 h GLU 182 Cb 1.22 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.52 3hs0 h GLU 182 CO 0.62 0.16 0.41 0.78 -0.73 0.00 0.00 179.01 180.26 3hs0 h GLY 183 N 0.25 0.31 0.00 1.92 0.00 -1.97 -3.44 103.07 100.14 3hs0 h GLY 183 Ca 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3hs0 h GLY 183 CO -0.17 0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.02 3hs0 n GLY 184 N -1.58 0.79 3.95 4.60 0.00 0.54 -5.08 105.19 108.41 3hs0 n GLY 184 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3hs0 n GLY 184 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hs0 s SER 185 N -1.42 6.33 -0.08 1.61 1.04 -1.22 -4.03 113.70 115.93 3hs0 s SER 185 Ca 0.00 0.13 -0.14 0.00 0.48 0.00 0.00 55.95 56.42 3hs0 s SER 185 Cb 0.00 -1.89 -0.05 0.00 0.10 0.00 0.00 66.02 64.18 3hs0 s SER 185 CO 0.00 0.00 0.35 0.26 0.98 0.00 0.00 173.24 174.83 3hs0 s TRP 186 N -1.84 3.61 0.89 5.02 0.52 -1.26 -1.40 118.94 124.46 3hs0 s TRP 186 Ca 0.34 0.80 -0.11 0.00 0.02 0.00 0.00 56.10 57.16 3hs0 s TRP 186 Cb -0.10 -2.29 0.13 0.00 -1.15 0.00 0.00 33.47 30.05 3hs0 s TRP 186 CO 0.29 0.48 1.11 -1.54 0.02 0.00 0.00 176.95 177.31 3hs0 s SER 187 N -0.40 3.35 0.04 2.95 1.04 -0.38 -4.85 113.70 115.45 3hs0 s SER 187 Ca 0.21 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.56 3hs0 s SER 187 Cb -0.15 -2.48 0.00 0.00 0.10 0.00 0.00 66.02 63.49 3hs0 s SER 187 CO 0.09 -2.79 0.00 0.61 0.98 0.00 0.00 173.24 172.13 3hs0 n GLY 188 N -0.39 -1.36 3.16 7.32 0.00 -1.26 -4.37 105.19 108.30 3hs0 n GLY 188 Ca 0.10 -1.28 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 3hs0 n GLY 188 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hs0 s THR 189 N 0.00 0.85 0.15 2.61 -1.32 -1.26 -2.10 115.64 114.57 3hs0 s THR 189 Ca 0.00 -1.63 -0.34 0.00 -1.21 0.00 0.00 61.69 58.51 3hs0 s THR 189 Cb 0.00 -1.33 -0.14 0.00 -1.51 0.00 0.00 72.50 69.52 3hs0 s THR 189 CO 0.00 -0.59 1.55 1.21 -2.21 0.00 0.00 174.62 174.58 3hs0 n GLU 190 N 0.56 2.03 -1.81 7.08 2.13 -1.26 -2.52 120.64 126.84 3hs0 n GLU 190 Ca -0.16 0.73 -0.31 0.00 0.66 0.00 0.00 57.16 58.08 3hs0 n GLU 190 Cb 0.58 -2.49 0.03 0.00 0.27 0.00 0.00 31.44 29.83 3hs0 n GLU 190 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 3hs0 s PRO 191 N 0.91 3.21 -0.10 5.31 0.02 -1.26 -4.55 135.00 138.54 3hs0 s PRO 191 Ca 0.80 0.70 -0.23 0.00 0.02 0.00 0.00 61.00 62.29 3hs0 s PRO 191 Cb -0.71 -2.04 0.05 0.00 0.02 0.00 0.00 34.50 31.82 3hs0 s PRO 191 CO 0.39 -0.84 0.56 -1.54 -0.33 0.00 0.00 177.00 175.24 3hs0 s SER 192 N -4.15 -0.53 0.07 2.53 1.04 -0.55 -4.73 113.70 107.37 3hs0 s SER 192 Ca 0.57 0.74 -0.18 0.00 0.48 0.00 0.00 55.95 57.55 3hs0 s SER 192 Cb -0.12 0.72 -0.07 0.00 0.10 0.00 0.00 66.02 66.66 3hs0 s SER 192 CO 0.54 -0.43 0.54 0.00 0.98 0.00 0.00 173.24 174.87 3hs0 s GLN 194 N -1.17 2.25 0.37 0.00 -1.52 -0.93 -4.98 119.66 113.69 3hs0 s GLN 194 Ca 0.29 -0.62 -0.01 0.00 -1.95 0.00 0.00 55.36 53.07 3hs0 s GLN 194 Cb -0.19 -1.78 -0.04 0.00 -0.22 0.00 0.00 33.01 30.79 3hs0 s GLN 194 CO 0.18 0.11 0.60 -0.51 -0.25 0.00 0.00 175.29 175.42 3hs0 s ASP 195 N 0.48 6.30 0.13 5.90 1.01 -1.26 -2.62 116.67 126.61 3hs0 s ASP 195 Ca -0.15 0.59 -0.18 0.00 0.71 0.00 0.00 52.55 53.51 3hs0 s ASP 195 Cb -0.16 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 3hs0 s ASP 195 CO 0.06 -0.35 1.76 0.77 0.21 0.00 0.00 175.17 177.62 3hs0 h SER 196 N 0.72 0.17 1.32 0.27 4.64 -2.01 -2.60 113.55 116.06 3hs0 h SER 196 Ca -0.49 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3hs0 h SER 196 Cb 1.21 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3hs0 h SER 196 CO 0.62 0.14 0.00 2.19 -0.87 0.00 0.00 176.83 178.90 3hs0 h PHE 197 N 0.26 0.00 -2.74 4.77 -0.00 -1.97 -3.44 116.94 113.82 3hs0 h PHE 197 Ca 0.11 0.00 -0.53 0.00 -0.00 0.00 0.00 57.97 57.55 3hs0 h PHE 197 Cb 0.04 0.00 0.04 0.00 -0.00 0.00 0.00 35.95 36.03 3hs0 h PHE 197 CO -0.10 0.00 0.95 -1.64 -0.00 0.00 0.00 178.31 177.52 3hs0 s MET 198 N -3.40 4.19 0.05 6.09 -1.94 -0.98 -5.00 119.30 118.30 3hs0 s MET 198 Ca 0.05 2.40 0.05 0.00 -1.71 0.00 0.00 55.69 56.48 3hs0 s MET 198 Cb 0.08 -3.33 -0.02 0.00 2.01 0.00 0.00 34.83 33.57 3hs0 s MET 198 CO 0.56 -0.68 -0.14 0.71 -0.01 0.00 0.00 175.02 175.46 3hs0 s TYR 199 N 1.76 1.19 0.01 -0.03 2.02 -1.26 -4.79 117.35 116.26 3hs0 s TYR 199 Ca 0.73 -0.39 -0.27 0.00 -0.37 0.00 0.00 57.07 56.77 3hs0 s TYR 199 Cb -0.43 -0.70 -0.04 0.00 -0.40 0.00 0.00 41.96 40.39 3hs0 s TYR 199 CO 0.32 0.04 0.86 -0.51 -1.57 0.00 0.00 175.55 174.69 3hs0 s ASP 200 N -1.33 7.26 0.69 2.29 1.01 -0.67 -5.04 116.67 120.88 3hs0 s ASP 200 Ca 0.00 1.52 -0.11 0.00 0.71 0.00 0.00 52.55 54.67 3hs0 s ASP 200 Cb -0.08 -2.51 0.00 0.00 1.01 0.00 0.00 42.92 41.34 3hs0 s ASP 200 CO 0.02 -0.13 1.06 0.42 0.21 0.00 0.00 175.17 176.74 3hs0 s THR 201 N 0.55 4.03 0.15 -1.27 -4.23 -1.26 -4.54 115.64 109.06 3hs0 s THR 201 Ca 0.45 0.67 -0.15 0.00 -1.18 0.00 0.00 61.69 61.47 3hs0 s THR 201 Cb -0.20 -3.41 0.02 0.00 1.34 0.00 0.00 72.50 70.25 3hs0 s THR 201 CO 0.25 -0.85 1.77 -0.65 -0.54 0.00 0.00 174.62 174.60 3hs0 h PRO 202 N -0.65 0.60 -0.83 3.99 0.11 -1.94 -2.27 132.00 131.01 3hs0 h PRO 202 Ca -0.44 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3hs0 h PRO 202 Cb 1.21 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3hs0 h PRO 202 CO 0.57 0.47 0.41 1.96 -0.21 0.00 0.00 178.00 181.20 3hs0 h GLN 203 N 0.57 1.19 -0.21 1.05 7.50 -1.93 -0.20 115.11 123.09 3hs0 h GLN 203 Ca 0.16 -0.17 -0.01 0.00 0.50 0.00 0.00 58.65 59.13 3hs0 h GLN 203 Cb 0.03 -0.22 -0.01 0.00 0.05 0.00 0.00 27.48 27.34 3hs0 h GLN 203 CO -0.03 0.91 0.09 0.93 -1.50 0.00 0.00 178.83 179.23 3hs0 h GLU 204 N 1.18 0.31 0.21 1.46 5.08 -1.90 -2.11 114.58 118.82 3hs0 h GLU 204 Ca 0.29 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 3hs0 h GLU 204 Cb 0.10 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3hs0 h GLU 204 CO -0.04 0.37 -0.10 0.28 -1.00 0.00 0.00 179.01 178.52 3hs0 h VAL 205 N 0.19 0.85 -0.52 3.13 2.07 -1.08 -0.31 116.25 120.57 3hs0 h VAL 205 Ca 0.07 -0.29 0.10 0.00 0.82 0.00 0.00 66.70 67.40 3hs0 h VAL 205 Cb 0.17 1.02 -0.11 0.00 -1.52 0.00 0.00 31.29 30.86 3hs0 h VAL 205 CO -0.01 0.07 -0.23 0.00 0.02 0.00 0.00 177.57 177.42 3hs0 h ALA 206 N 0.34 0.15 0.78 1.67 0.00 -1.04 0.12 119.26 121.29 3hs0 h ALA 206 Ca -0.03 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3hs0 h ALA 206 Cb 0.32 0.57 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hs0 h ALA 206 CO 0.05 -0.56 -0.47 1.49 0.00 0.00 0.00 179.25 179.76 3hs0 h GLU 207 N -0.11 -1.13 -0.37 0.00 4.57 -1.23 -1.68 114.58 114.63 3hs0 h GLU 207 Ca 0.24 0.08 0.07 0.00 -1.18 0.00 0.00 59.36 58.57 3hs0 h GLU 207 Cb 0.48 0.26 -0.06 0.00 -0.16 0.00 0.00 28.75 29.27 3hs0 h GLU 207 CO -0.59 -0.75 -0.01 0.00 -1.18 0.00 0.00 179.01 176.47 3hs0 h ALA 208 N -1.07 0.33 1.00 2.92 0.00 -0.50 0.18 119.26 122.11 3hs0 h ALA 208 Ca -0.10 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3hs0 h ALA 208 Cb 0.94 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hs0 h ALA 208 CO 0.11 -0.41 -0.48 0.35 0.00 0.00 0.00 179.25 178.83 3hs0 h PHE 209 N 0.09 -1.24 -0.40 0.00 3.57 -0.78 -1.65 116.94 116.52 3hs0 h PHE 209 Ca 0.18 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.77 3hs0 h PHE 209 Cb 0.26 0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.39 3hs0 h PHE 209 CO -0.27 -0.77 0.37 1.25 -2.23 0.00 0.00 178.31 176.66 3hs0 h LEU 210 N -1.36 0.00 0.00 0.59 5.85 -1.11 -0.55 115.31 118.73 3hs0 h LEU 210 Ca -0.14 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 3hs0 h LEU 210 Cb 1.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 3hs0 h LEU 210 CO 0.22 0.00 -0.64 -1.28 -0.34 0.00 0.00 178.44 176.41 3hs0 h SER 211 N 0.00 0.00 0.28 1.25 0.87 -0.13 -2.92 113.55 112.90 3hs0 h SER 211 Ca 0.19 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 3hs0 h SER 211 Cb 0.93 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3hs0 h SER 211 CO -0.00 0.43 -1.73 -1.54 -0.53 0.00 0.00 176.83 173.46 3hs0 n SER 212 N -3.12 0.24 0.11 6.23 3.41 -0.66 -4.18 113.62 115.65 3hs0 n SER 212 Ca 0.00 0.09 -0.03 0.00 -0.26 0.00 0.00 58.87 58.68 3hs0 n SER 212 Cb 0.72 1.55 0.06 0.00 -0.26 0.00 0.00 64.21 66.28 3hs0 n SER 212 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3hs0 h LEU 213 N 0.00 0.00 0.00 1.04 5.85 -1.18 -3.46 115.31 117.57 3hs0 h LEU 213 Ca -0.01 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.45 3hs0 h LEU 213 Cb 1.03 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3hs0 h LEU 213 CO 0.00 0.74 -0.15 0.35 -0.34 0.00 0.00 178.44 179.04 3hs0 n THR 214 N -3.56 0.00 -4.02 1.05 -2.24 -1.11 -4.78 114.28 99.63 3hs0 n THR 214 Ca -0.00 -0.96 -0.31 0.00 -2.27 0.00 0.00 64.05 60.50 3hs0 n THR 214 Cb 0.74 -0.08 -0.16 0.00 -2.10 0.00 0.00 70.33 68.74 3hs0 n THR 214 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3hs0 s GLU 215 N -2.87 2.10 0.32 -0.78 2.02 -1.02 -4.87 118.70 113.59 3hs0 s GLU 215 Ca 0.07 -1.00 -0.24 0.00 0.02 0.00 0.00 54.97 53.82 3hs0 s GLU 215 Cb -0.01 -2.58 -0.10 0.00 0.10 0.00 0.00 34.13 31.54 3hs0 s GLU 215 CO 0.05 -0.47 0.90 -0.08 0.02 0.00 0.00 175.26 175.67 3hs0 s THR 216 N 1.31 4.30 0.00 3.63 -1.32 -1.26 -4.00 115.64 118.29 3hs0 s THR 216 Ca -0.04 1.69 0.00 0.00 -1.21 0.00 0.00 61.69 62.13 3hs0 s THR 216 Cb -0.17 -3.94 0.00 0.00 -1.51 0.00 0.00 72.50 66.88 3hs0 s THR 216 CO -0.07 0.10 0.00 0.29 -2.21 0.00 0.00 174.62 172.73 3hs0 n LYS 233 N 0.45 0.00 -3.44 7.08 5.02 -1.26 -4.95 118.16 121.07 3hs0 n LYS 233 Ca 0.02 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.10 3hs0 n LYS 233 Cb 0.51 0.00 -0.00 0.00 -0.02 0.00 0.00 35.03 35.51 3hs0 n LYS 233 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3hs0 s ARG 234 N 0.00 3.19 0.06 1.97 0.52 -1.26 -5.13 118.95 118.31 3hs0 s ARG 234 Ca 0.00 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.31 3hs0 s ARG 234 Cb 0.00 -2.76 0.01 0.00 0.52 0.00 0.00 34.95 32.72 3hs0 s ARG 234 CO 0.00 0.06 0.26 -1.59 0.02 0.00 0.00 175.30 174.04 3hs0 s LYS 235 N -4.24 0.82 -0.05 3.54 -2.85 -1.26 -5.04 119.74 110.66 3hs0 s LYS 235 Ca 0.43 -0.68 -0.15 0.00 -1.00 0.00 0.00 55.97 54.57 3hs0 s LYS 235 Cb -0.10 0.35 -0.05 0.00 -2.06 0.00 0.00 37.83 35.97 3hs0 s LYS 235 CO 0.33 -0.26 0.41 0.42 0.10 0.00 0.00 175.35 176.34 3hs0 s ILE 236 N -3.04 5.11 -0.46 3.79 1.01 -1.26 -2.44 121.20 123.91 3hs0 s ILE 236 Ca -0.01 0.82 -0.15 0.00 0.00 0.00 0.00 60.65 61.30 3hs0 s ILE 236 Cb 0.01 -3.72 0.07 0.00 0.01 0.00 0.00 42.46 38.82 3hs0 s ILE 236 CO -0.06 0.49 0.38 -0.69 0.00 0.00 0.00 174.94 175.06 3hs0 s VAL 237 N -0.47 5.20 0.41 2.92 1.01 -1.26 -5.02 120.40 123.19 3hs0 s VAL 237 Ca 0.23 -1.03 0.08 0.00 0.00 0.00 0.00 61.98 61.26 3hs0 s VAL 237 Cb -0.16 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.14 3hs0 s VAL 237 CO 0.11 -0.55 0.52 -0.76 0.00 0.00 0.00 175.10 174.43 3hs0 s LEU 238 N 1.64 3.66 0.80 3.92 1.43 -1.26 -5.06 118.68 123.81 3hs0 s LEU 238 Ca 0.04 -0.43 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 3hs0 s LEU 238 Cb -0.24 -2.58 0.07 0.00 0.03 0.00 0.00 46.19 43.47 3hs0 s LEU 238 CO 0.07 -0.69 1.14 -1.81 0.23 0.00 0.00 176.35 175.29 3hs0 s ASP 239 N -4.29 4.58 -0.29 2.29 1.11 -1.26 -4.85 116.67 113.97 3hs0 s ASP 239 Ca 0.52 0.97 -0.37 0.00 0.18 0.00 0.00 52.55 53.86 3hs0 s ASP 239 Cb -0.09 -1.59 -0.13 0.00 1.07 0.00 0.00 42.92 42.18 3hs0 s ASP 239 CO 0.32 -1.87 2.01 -2.65 1.18 0.00 0.00 175.17 174.16 3hs0 n PRO 240 N -3.33 1.28 -3.73 8.23 -0.02 -1.26 -0.24 135.00 135.93 3hs0 n PRO 240 Ca 0.07 0.41 -0.33 0.00 -2.02 0.00 0.00 63.50 61.63 3hs0 n PRO 240 Cb 0.59 -2.38 0.04 0.00 -0.02 0.00 0.00 33.50 31.73 3hs0 n PRO 240 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3hs0 n SER 241 N 8.02 -5.14 -0.53 2.55 3.41 -1.26 -5.00 113.62 115.67 3hs0 n SER 241 Ca 0.34 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 3hs0 n SER 241 Cb 0.21 -3.18 0.00 0.00 -0.26 0.00 0.00 64.21 60.98 3hs0 n SER 241 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hs0 n GLY 242 N -1.73 1.73 3.62 5.00 0.00 0.66 -5.07 105.19 109.39 3hs0 n GLY 242 Ca -0.10 -1.82 -0.06 0.00 0.00 0.00 0.00 46.02 44.05 3hs0 n GLY 242 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hs0 s SER 243 N -1.00 -0.26 -0.12 1.61 0.15 -1.23 -4.90 113.70 107.95 3hs0 s SER 243 Ca 0.00 -0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.37 3hs0 s SER 243 Cb 0.00 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.75 3hs0 s SER 243 CO 0.00 -0.71 0.32 -0.32 1.20 0.00 0.00 173.24 173.73 3hs0 s MET 244 N -3.13 0.36 -0.09 5.44 1.75 -1.26 -2.00 119.30 120.38 3hs0 s MET 244 Ca 0.09 0.46 0.04 0.00 -1.25 0.00 0.00 55.69 55.03 3hs0 s MET 244 Cb -0.01 0.16 -0.00 0.00 2.84 0.00 0.00 34.83 37.82 3hs0 s MET 244 CO -0.04 -0.05 -0.24 -0.80 -0.65 0.00 0.00 175.02 173.24 3hs0 s ASN 245 N 0.27 3.04 -0.16 1.11 -0.87 -0.19 -1.08 114.94 117.06 3hs0 s ASN 245 Ca -0.01 -0.54 -0.00 0.00 -1.57 0.00 0.00 52.86 50.74 3hs0 s ASN 245 Cb -0.03 -1.25 -0.00 0.00 -0.02 0.00 0.00 41.25 39.95 3hs0 s ASN 245 CO -0.00 0.18 -0.14 -0.63 -2.57 0.00 0.00 177.10 173.93 3hs0 s ILE 246 N 0.22 2.73 -0.37 0.60 1.01 -0.54 -0.69 121.20 124.17 3hs0 s ILE 246 Ca -0.15 -0.74 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 3hs0 s ILE 246 Cb -0.17 -2.16 0.06 0.00 0.01 0.00 0.00 42.46 40.20 3hs0 s ILE 246 CO 0.07 0.51 0.16 -0.31 0.00 0.00 0.00 174.94 175.37 3hs0 s TYR 247 N 0.85 3.33 -0.26 3.97 2.02 -0.48 -0.50 117.35 126.28 3hs0 s TYR 247 Ca -0.04 -1.62 -0.25 0.00 -0.37 0.00 0.00 57.07 54.78 3hs0 s TYR 247 Cb -0.15 -2.61 -0.00 0.00 -0.40 0.00 0.00 41.96 38.80 3hs0 s TYR 247 CO -0.00 -0.81 0.86 -0.51 -1.57 0.00 0.00 175.55 173.53 3hs0 s LEU 248 N 1.36 4.07 -0.25 -1.29 1.43 0.88 -0.68 118.68 124.20 3hs0 s LEU 248 Ca 0.01 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.13 3hs0 s LEU 248 Cb -0.21 -3.23 0.06 0.00 0.03 0.00 0.00 46.19 42.83 3hs0 s LEU 248 CO 0.01 -0.58 -0.10 -0.69 0.23 0.00 0.00 176.35 175.22 3hs0 s VAL 249 N 2.97 2.07 -0.16 -1.59 1.01 0.32 -1.27 120.40 123.75 3hs0 s VAL 249 Ca 0.36 -1.56 -0.04 0.00 0.00 0.00 0.00 61.98 60.75 3hs0 s VAL 249 Cb -0.15 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 3hs0 s VAL 249 CO 0.09 -0.02 -0.04 -0.22 0.00 0.00 0.00 175.10 174.91 3hs0 s LEU 250 N 1.15 3.24 -0.15 3.92 2.96 0.55 -1.38 118.68 128.97 3hs0 s LEU 250 Ca -0.08 -0.14 -0.23 0.00 -0.22 0.00 0.00 54.13 53.46 3hs0 s LEU 250 Cb -0.20 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.69 3hs0 s LEU 250 CO -0.05 0.16 0.71 -0.62 -1.32 0.00 0.00 176.35 175.22 3hs0 s ASP 251 N 0.42 6.86 -0.09 3.68 -1.08 -0.82 -1.37 116.67 124.27 3hs0 s ASP 251 Ca -0.04 1.04 0.14 0.00 -0.52 0.00 0.00 52.55 53.17 3hs0 s ASP 251 Cb -0.14 -2.40 0.21 0.00 -1.46 0.00 0.00 42.92 39.13 3hs0 s ASP 251 CO 0.03 -0.25 1.10 0.61 0.52 0.00 0.00 175.17 177.17 3hs0 n GLY 252 N 3.47 3.83 3.66 2.66 0.00 0.54 -4.91 105.19 114.43 3hs0 n GLY 252 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 3hs0 n GLY 252 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hs0 s SER 253 N -2.32 2.14 0.52 1.61 1.04 -1.25 -4.85 113.70 110.59 3hs0 s SER 253 Ca 0.23 1.02 0.35 0.00 0.48 0.00 0.00 55.95 58.03 3hs0 s SER 253 Cb 0.20 -1.58 1.73 0.00 0.10 0.00 0.00 66.02 66.46 3hs0 s SER 253 CO 0.02 -3.41 2.05 1.23 0.98 0.00 0.00 173.24 174.11 3hs0 h GLY 254 N -2.09 0.00 1.80 7.32 0.00 -1.61 -2.12 103.07 106.37 3hs0 h GLY 254 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3hs0 h GLY 254 CO 0.52 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.92 3hs0 n SER 255 N -2.83 0.00 -0.12 0.19 3.41 -1.26 -3.52 113.62 109.49 3hs0 n SER 255 Ca -0.01 0.25 -0.24 0.00 -0.26 0.00 0.00 58.87 58.62 3hs0 n SER 255 Cb 0.15 -0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 63.62 3hs0 n SER 255 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3hs0 n ILE 256 N -1.40 1.52 0.00 -1.33 2.08 -0.80 -5.01 119.36 114.42 3hs0 n ILE 256 Ca 0.08 -0.23 0.00 0.00 0.56 0.00 0.00 62.75 63.16 3hs0 n ILE 256 Cb 0.21 -2.03 0.00 0.00 -0.75 0.00 0.00 39.64 37.08 3hs0 n ILE 256 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hs0 n GLY 257 N 1.32 0.90 0.10 7.39 0.00 -1.23 -4.34 105.19 109.32 3hs0 n GLY 257 Ca -0.42 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 43.46 3hs0 n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hs0 h ALA 258 N 0.00 -0.13 -0.73 4.61 0.00 -1.93 -3.01 119.26 118.07 3hs0 h ALA 258 Ca 0.00 -0.25 0.16 0.00 0.00 0.00 0.00 54.91 54.82 3hs0 h ALA 258 Cb 0.00 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.73 3hs0 h ALA 258 CO 0.00 -0.29 0.15 1.03 0.00 0.00 0.00 179.25 180.14 3hs0 h SER 259 N -0.69 -0.03 0.14 0.00 0.87 -2.01 -2.61 113.55 109.22 3hs0 h SER 259 Ca -0.01 0.15 -0.28 0.00 -1.23 0.00 0.00 61.79 60.41 3hs0 h SER 259 Cb 0.54 0.21 0.02 0.00 -0.44 0.00 0.00 62.40 62.74 3hs0 h SER 259 CO 0.02 -0.06 -1.17 0.44 -0.53 0.00 0.00 176.83 175.54 3hs0 h ASP 260 N 0.24 0.83 0.49 6.23 5.19 -1.76 -3.27 116.42 124.38 3hs0 h ASP 260 Ca 0.41 -0.74 -0.02 0.00 -0.62 0.00 0.00 57.03 56.06 3hs0 h ASP 260 Cb 0.70 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.95 3hs0 h ASP 260 CO -0.52 1.54 -0.27 0.15 -3.12 0.00 0.00 179.24 177.02 3hs0 h PHE 261 N 0.30 -0.71 0.00 4.55 3.57 -1.32 -0.96 116.94 122.37 3hs0 h PHE 261 Ca -0.16 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3hs0 h PHE 261 Cb 1.83 0.25 0.00 0.00 2.79 0.00 0.00 35.95 40.82 3hs0 h PHE 261 CO 0.10 -0.43 0.00 0.25 -2.23 0.00 0.00 178.31 176.01 3hs0 n THR 262 N -5.41 0.75 0.00 4.41 -2.24 -1.09 -1.94 114.28 108.76 3hs0 n THR 262 Ca -0.12 0.19 -0.22 0.00 -2.27 0.00 0.00 64.05 61.64 3hs0 n THR 262 Cb 0.31 -0.92 -0.14 0.00 -2.10 0.00 0.00 70.33 67.48 3hs0 n THR 262 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3hs0 h GLY 263 N 2.64 0.27 1.49 3.38 0.00 -1.50 -3.24 103.07 106.11 3hs0 h GLY 263 Ca 0.00 -0.69 0.06 0.00 0.00 0.00 0.00 47.33 46.70 3hs0 h GLY 263 CO 0.00 0.60 0.21 0.00 0.00 0.00 0.00 176.54 177.36 3hs0 h ALA 264 N -0.05 2.08 0.27 3.60 0.00 -0.51 0.73 119.26 125.37 3hs0 h ALA 264 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hs0 h ALA 264 Cb 1.80 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 3hs0 h ALA 264 CO 0.05 -0.14 -0.32 0.87 0.00 0.00 0.00 179.25 179.71 3hs0 h LYS 265 N 0.17 -0.61 -0.90 0.00 1.57 -1.49 0.04 116.57 115.35 3hs0 h LYS 265 Ca 0.14 0.04 0.16 0.00 -1.87 0.00 0.00 60.65 59.12 3hs0 h LYS 265 Cb 0.34 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.72 3hs0 h LYS 265 CO -0.02 -0.41 0.58 0.87 -0.57 0.00 0.00 179.45 179.90 3hs0 h LYS 266 N -0.63 0.62 0.03 3.15 1.57 -0.95 -1.01 116.57 119.35 3hs0 h LYS 266 Ca -0.01 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hs0 h LYS 266 Cb 0.59 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hs0 h LYS 266 CO -0.09 0.41 -0.02 0.00 -0.57 0.00 0.00 179.45 179.19 3hs0 h LEU 268 N -0.24 0.69 -0.50 0.00 3.38 -0.31 -2.03 115.31 116.31 3hs0 h LEU 268 Ca -0.00 -0.17 0.10 0.00 0.09 0.00 0.00 57.88 57.89 3hs0 h LEU 268 Cb 0.22 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.70 3hs0 h LEU 268 CO 0.01 0.79 -0.06 0.58 0.09 0.00 0.00 178.44 179.85 3hs0 h VAL 269 N 0.66 0.56 -0.56 1.22 2.07 -1.16 -2.04 116.25 117.00 3hs0 h VAL 269 Ca 0.13 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.63 3hs0 h VAL 269 Cb 0.48 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 3hs0 h VAL 269 CO 0.02 0.01 0.37 0.78 0.02 0.00 0.00 177.57 178.78 3hs0 h ASN 270 N 0.06 0.65 -0.55 0.57 2.35 -1.10 -2.92 115.58 114.63 3hs0 h ASN 270 Ca 0.25 -0.02 0.08 0.00 -0.55 0.00 0.00 56.30 56.05 3hs0 h ASN 270 Cb 0.38 -0.16 -0.06 0.00 0.05 0.00 0.00 38.32 38.52 3hs0 h ASN 270 CO -0.46 0.47 0.22 0.25 -1.65 0.00 0.00 177.43 176.26 3hs0 h LEU 271 N 0.77 0.24 -0.26 1.61 5.85 -0.72 0.43 115.31 123.22 3hs0 h LEU 271 Ca 0.21 0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.05 3hs0 h LEU 271 Cb -0.09 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3hs0 h LEU 271 CO -0.04 0.16 -0.10 0.40 -0.34 0.00 0.00 178.44 178.52 3hs0 h ILE 272 N 0.41 0.66 -0.23 4.05 1.08 -1.23 0.06 117.51 122.31 3hs0 h ILE 272 Ca 0.27 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.69 3hs0 h ILE 272 Cb 0.29 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.69 3hs0 h ILE 272 CO -0.26 0.00 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.06 3hs0 h GLU 273 N -0.05 0.36 0.07 2.37 4.81 -1.09 0.16 114.58 121.21 3hs0 h GLU 273 Ca 0.13 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3hs0 h GLU 273 Cb 0.25 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3hs0 h GLU 273 CO -0.30 0.44 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.17 3hs0 h LYS 274 N 0.35 -0.09 -0.48 1.92 1.63 -0.19 -2.92 116.57 116.79 3hs0 h LYS 274 Ca 0.07 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.87 3hs0 h LYS 274 Cb 0.33 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.96 3hs0 h LYS 274 CO 0.01 0.32 0.24 0.28 -3.45 0.00 0.00 179.45 176.85 3hs0 h VAL 275 N -0.51 1.16 -0.19 2.00 2.07 -0.73 -2.04 116.25 118.01 3hs0 h VAL 275 Ca -0.01 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 3hs0 h VAL 275 Cb 0.44 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 3hs0 h VAL 275 CO 0.02 0.18 0.10 0.00 0.02 0.00 0.00 177.57 177.88 3hs0 h ALA 276 N 1.60 1.83 -0.19 1.67 0.00 -0.64 -2.31 119.26 121.22 3hs0 h ALA 276 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3hs0 h ALA 276 Cb 0.06 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3hs0 h ALA 276 CO -0.02 0.15 0.09 -1.13 0.00 0.00 0.00 179.25 178.34 3hs0 n SER 277 N -4.48 2.78 -0.00 0.00 3.41 -0.77 -2.63 113.62 111.93 3hs0 n SER 277 Ca -0.00 -2.30 0.02 0.00 -0.26 0.00 0.00 58.87 56.33 3hs0 n SER 277 Cb 0.10 -0.56 -0.02 0.00 -0.26 0.00 0.00 64.21 63.46 3hs0 n SER 277 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3hs0 n TYR 278 N 0.14 0.00 -2.37 7.33 4.01 -0.87 -5.01 117.16 120.38 3hs0 n TYR 278 Ca 0.11 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.78 3hs0 n TYR 278 Cb 0.65 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.69 3hs0 n TYR 278 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hs0 n GLY 279 N 1.15 0.23 3.28 2.72 0.00 -1.08 -4.86 105.19 106.64 3hs0 n GLY 279 Ca 0.01 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.18 3hs0 n GLY 279 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hs0 s VAL 280 N -2.59 2.14 -0.82 1.61 -7.23 -1.26 -5.08 120.40 107.16 3hs0 s VAL 280 Ca 0.06 -1.04 -0.07 0.00 -1.81 0.00 0.00 61.98 59.13 3hs0 s VAL 280 Cb -0.03 -1.78 0.21 0.00 0.56 0.00 0.00 36.38 35.34 3hs0 s VAL 280 CO 0.08 0.57 0.72 -0.54 -0.31 0.00 0.00 175.10 175.62 3hs0 s LYS 281 N -0.20 3.28 0.29 4.82 -0.14 -1.26 -4.72 119.74 121.81 3hs0 s LYS 281 Ca -0.02 -2.81 -0.20 0.00 -1.36 0.00 0.00 55.97 51.58 3hs0 s LYS 281 Cb -0.13 -4.11 -0.09 0.00 -1.68 0.00 0.00 37.83 31.82 3hs0 s LYS 281 CO 0.03 -1.24 0.79 -1.25 -0.76 0.00 0.00 175.35 172.92 3hs0 s PRO 282 N -0.51 4.25 -0.03 -1.68 0.05 -1.26 -4.80 135.00 131.01 3hs0 s PRO 282 Ca 0.22 0.92 -0.30 0.00 0.05 0.00 0.00 61.00 61.90 3hs0 s PRO 282 Cb -0.13 -2.68 -0.03 0.00 0.05 0.00 0.00 34.50 31.71 3hs0 s PRO 282 CO -0.08 0.27 1.04 1.03 0.05 0.00 0.00 177.00 179.32 3hs0 s ARG 283 N -2.36 4.48 0.00 4.56 0.52 -0.24 -4.40 118.95 121.51 3hs0 s ARG 283 Ca 0.49 1.49 -0.07 0.00 -0.52 0.00 0.00 55.73 57.12 3hs0 s ARG 283 Cb -0.15 -3.48 -0.05 0.00 0.52 0.00 0.00 34.95 31.79 3hs0 s ARG 283 CO 0.20 -0.21 0.28 0.71 0.02 0.00 0.00 175.30 176.30 3hs0 s TYR 284 N 1.46 3.59 -0.10 -0.53 2.02 -0.02 -1.46 117.35 122.31 3hs0 s TYR 284 Ca 0.52 0.60 0.03 0.00 -0.37 0.00 0.00 57.07 57.85 3hs0 s TYR 284 Cb -0.22 -2.01 0.01 0.00 -0.40 0.00 0.00 41.96 39.34 3hs0 s TYR 284 CO 0.24 0.62 -0.18 0.20 -1.57 0.00 0.00 175.55 174.86 3hs0 s GLY 285 N -1.63 1.11 -0.15 0.71 0.00 0.35 -3.44 107.32 104.26 3hs0 s GLY 285 Ca 0.27 -0.78 0.01 0.00 0.00 0.00 0.00 44.72 44.22 3hs0 s GLY 285 CO 0.15 0.01 -0.19 -2.27 0.00 0.00 0.00 173.10 170.81 3hs0 s LEU 286 N 0.71 1.97 -0.09 0.66 2.96 -0.17 -0.08 118.68 124.64 3hs0 s LEU 286 Ca -0.12 -0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 53.19 3hs0 s LEU 286 Cb -0.16 -1.36 0.05 0.00 0.50 0.00 0.00 46.19 45.22 3hs0 s LEU 286 CO 0.03 0.01 0.12 -0.69 -1.32 0.00 0.00 176.35 174.50 3hs0 s VAL 287 N 1.17 -0.20 0.37 1.68 1.01 -0.40 -1.38 120.40 122.66 3hs0 s VAL 287 Ca 0.00 0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.28 3hs0 s VAL 287 Cb -0.14 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 3hs0 s VAL 287 CO -0.08 0.07 0.55 0.42 0.00 0.00 0.00 175.10 176.06 3hs0 s THR 288 N 2.24 4.43 0.17 3.92 -4.23 -1.17 -0.33 115.64 120.67 3hs0 s THR 288 Ca 0.04 -0.68 -0.23 0.00 -1.18 0.00 0.00 61.69 59.64 3hs0 s THR 288 Cb -0.13 -3.60 0.06 0.00 1.34 0.00 0.00 72.50 70.18 3hs0 s THR 288 CO -0.06 -0.34 0.62 -0.72 -0.54 0.00 0.00 174.62 173.58 3hs0 s TYR 289 N -2.33 -0.50 0.00 3.99 -0.85 -0.47 -1.34 117.35 115.86 3hs0 s TYR 289 Ca 0.44 0.26 0.00 0.00 -0.52 0.00 0.00 57.07 57.25 3hs0 s TYR 289 Cb -0.10 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.82 3hs0 s TYR 289 CO 0.35 -0.89 0.00 0.00 -1.52 0.00 0.00 175.55 173.49 3hs0 n ALA 290 N -0.39 0.00 0.03 9.51 0.00 -1.26 -0.34 120.51 128.06 3hs0 n ALA 290 Ca -0.15 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.30 3hs0 n ALA 290 Cb 0.64 0.00 0.35 0.00 0.00 0.00 0.00 19.45 20.44 3hs0 n ALA 290 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3hs0 h THR 291 N 0.00 1.17 -3.85 0.00 2.02 -1.51 0.15 112.91 110.89 3hs0 h THR 291 Ca 0.00 -0.65 -0.27 0.00 0.77 0.00 0.00 66.41 66.26 3hs0 h THR 291 Cb 0.00 0.91 -0.18 0.00 -1.74 0.00 0.00 68.15 67.14 3hs0 h THR 291 CO 0.00 0.23 -0.72 -0.31 0.37 0.00 0.00 175.52 175.09 3hs0 s TYR 292 N -5.02 0.85 0.32 3.16 2.02 -1.26 -4.66 117.35 112.76 3hs0 s TYR 292 Ca -0.07 -0.70 -0.18 0.00 -0.37 0.00 0.00 57.07 55.75 3hs0 s TYR 292 Cb 0.16 -0.49 -0.09 0.00 -0.40 0.00 0.00 41.96 41.13 3hs0 s TYR 292 CO 0.75 -0.09 0.79 -2.14 -1.57 0.00 0.00 175.55 173.29 3hs0 s PRO 293 N -2.73 4.14 -0.11 -1.71 0.02 -1.26 -4.45 135.00 128.90 3hs0 s PRO 293 Ca 0.02 0.85 0.02 0.00 0.02 0.00 0.00 61.00 61.91 3hs0 s PRO 293 Cb -0.02 -2.51 0.01 0.00 0.02 0.00 0.00 34.50 32.00 3hs0 s PRO 293 CO -0.02 0.18 -0.18 0.21 -0.33 0.00 0.00 177.00 176.87 3hs0 s LYS 294 N -2.73 2.50 -0.50 5.54 2.47 -0.45 -4.99 119.74 121.58 3hs0 s LYS 294 Ca 0.53 -0.67 -0.17 0.00 -1.56 0.00 0.00 55.97 54.10 3hs0 s LYS 294 Cb -0.12 -2.05 0.08 0.00 -1.46 0.00 0.00 37.83 34.28 3hs0 s LYS 294 CO 0.18 -0.01 0.52 0.42 0.16 0.00 0.00 175.35 176.62 3hs0 s ILE 295 N 0.83 5.06 -0.12 5.43 1.01 -1.26 -3.05 121.20 129.10 3hs0 s ILE 295 Ca -0.09 -0.90 0.16 0.00 0.00 0.00 0.00 60.65 59.83 3hs0 s ILE 295 Cb -0.16 -4.25 -0.12 0.00 0.01 0.00 0.00 42.46 37.95 3hs0 s ILE 295 CO 0.00 -0.75 0.89 -0.50 0.00 0.00 0.00 174.94 174.59 3hs0 h TRP 296 N 8.90 0.00 -2.62 3.97 4.06 -1.62 -3.46 115.95 125.18 3hs0 h TRP 296 Ca -0.28 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.54 3hs0 h TRP 296 Cb 1.10 0.00 -0.28 0.00 -1.00 0.00 0.00 29.16 28.98 3hs0 h TRP 296 CO 0.71 0.58 -0.39 0.08 -3.56 0.00 0.00 178.44 175.85 3hs0 s VAL 297 N -2.92 -0.48 0.21 1.49 1.01 -1.03 -4.91 120.40 113.77 3hs0 s VAL 297 Ca -0.02 0.18 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 3hs0 s VAL 297 Cb 0.09 -0.60 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 3hs0 s VAL 297 CO 0.80 0.08 0.44 -0.54 0.00 0.00 0.00 175.10 175.88 3hs0 s LYS 298 N 2.34 3.59 0.51 2.72 1.02 -1.26 -1.00 119.74 127.65 3hs0 s LYS 298 Ca -0.03 -0.15 0.32 0.00 0.02 0.00 0.00 55.97 56.14 3hs0 s LYS 298 Cb -0.11 -2.78 1.30 0.00 -0.52 0.00 0.00 37.83 35.72 3hs0 s LYS 298 CO -0.12 0.36 1.94 -0.39 -0.92 0.00 0.00 175.35 176.23 3hs0 h VAL 299 N 1.64 0.00 -0.03 3.17 -1.51 -1.88 -3.02 116.25 114.63 3hs0 h VAL 299 Ca -0.47 -0.48 -0.24 0.00 -1.23 0.00 0.00 66.70 64.29 3hs0 h VAL 299 Cb 1.18 1.44 0.01 0.00 -2.13 0.00 0.00 31.29 31.79 3hs0 h VAL 299 CO 0.69 0.00 -0.93 0.77 -1.23 0.00 0.00 177.57 176.86 3hs0 h SER 300 N 0.00 0.72 -2.29 4.19 4.64 -1.88 -3.46 113.55 115.47 3hs0 h SER 300 Ca 0.00 -0.55 -0.61 0.00 -0.47 0.00 0.00 61.79 60.16 3hs0 h SER 300 Cb 0.50 -0.22 0.15 0.00 -0.31 0.00 0.00 62.40 62.52 3hs0 h SER 300 CO 0.00 1.34 -0.53 -0.62 -0.87 0.00 0.00 176.83 176.15 3hs0 n GLU 301 N -3.82 0.44 0.00 4.77 1.02 -1.14 -4.87 120.64 117.03 3hs0 n GLU 301 Ca -0.08 0.16 -0.11 0.00 -0.02 0.00 0.00 57.16 57.11 3hs0 n GLU 301 Cb 0.83 -1.42 -0.05 0.00 -0.02 0.00 0.00 31.44 30.77 3hs0 n GLU 301 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hs0 h ALA 302 N 0.61 0.11 -0.14 0.62 0.00 -1.89 -2.91 119.26 115.65 3hs0 h ALA 302 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hs0 h ALA 302 Cb 1.41 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3hs0 h ALA 302 CO 0.50 -0.39 0.00 -0.25 0.00 0.00 0.00 179.25 179.10 3hs0 n ASP 303 N -5.03 0.88 0.30 0.00 8.00 -1.26 -4.19 116.55 115.25 3hs0 n ASP 303 Ca -0.05 -2.01 0.20 0.00 0.71 0.00 0.00 54.79 53.63 3hs0 n ASP 303 Cb 0.03 -0.13 0.91 0.00 -0.02 0.00 0.00 41.12 41.90 3hs0 n ASP 303 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3hs0 h SER 304 N 0.85 0.00 -0.97 -2.24 4.64 -1.78 -2.27 113.55 111.79 3hs0 h SER 304 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 3hs0 h SER 304 Cb 0.24 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.04 3hs0 h SER 304 CO 0.01 0.00 0.75 -1.54 -0.87 0.00 0.00 176.83 175.18 3hs0 n SER 305 N -3.09 5.81 -3.90 4.97 3.41 -1.26 -0.84 113.62 118.72 3hs0 n SER 305 Ca -0.01 -3.66 -0.30 0.00 -0.26 0.00 0.00 58.87 54.64 3hs0 n SER 305 Cb 0.21 -0.91 -0.15 0.00 -0.26 0.00 0.00 64.21 63.10 3hs0 n SER 305 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3hs0 s ASN 306 N -1.48 4.24 0.22 4.04 3.84 -0.86 -4.82 114.94 120.12 3hs0 s ASN 306 Ca 0.59 -1.69 -0.11 0.00 0.21 0.00 0.00 52.86 51.87 3hs0 s ASN 306 Cb 0.48 -1.23 0.30 0.00 -0.55 0.00 0.00 41.25 40.25 3hs0 s ASN 306 CO 0.04 -0.35 1.66 0.00 -2.79 0.00 0.00 177.10 175.67 3hs0 h ALA 307 N 7.88 0.62 -0.22 1.71 0.00 -1.88 -0.86 119.26 126.50 3hs0 h ALA 307 Ca -0.11 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hs0 h ALA 307 Cb 1.03 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3hs0 h ALA 307 CO 0.47 -0.39 0.13 -0.44 0.00 0.00 0.00 179.25 179.02 3hs0 h ASP 308 N 0.12 0.27 -0.54 0.00 5.19 -1.96 -0.92 116.42 118.58 3hs0 h ASP 308 Ca 0.33 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.66 3hs0 h ASP 308 Cb 0.53 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.95 3hs0 h ASP 308 CO -0.53 0.25 0.27 -0.25 -3.12 0.00 0.00 179.24 175.85 3hs0 h TRP 309 N 0.26 0.77 -0.58 4.55 2.91 -1.70 -0.87 115.95 121.30 3hs0 h TRP 309 Ca 0.08 -0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.96 3hs0 h TRP 309 Cb 0.03 -0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 28.42 3hs0 h TRP 309 CO -0.05 0.59 -0.04 0.28 -1.03 0.00 0.00 178.44 178.19 3hs0 h VAL 310 N 0.73 1.27 -0.35 2.65 2.07 -1.07 -0.73 116.25 120.82 3hs0 h VAL 310 Ca 0.19 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 3hs0 h VAL 310 Cb 0.10 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 3hs0 h VAL 310 CO -0.03 0.43 0.04 0.74 0.02 0.00 0.00 177.57 178.77 3hs0 h THR 311 N 0.94 1.18 0.00 2.57 2.02 -0.99 -0.27 112.91 118.37 3hs0 h THR 311 Ca 0.16 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 3hs0 h THR 311 Cb 0.60 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.88 3hs0 h THR 311 CO 0.04 0.25 -0.25 0.11 0.37 0.00 0.00 175.52 176.04 3hs0 h LYS 312 N 0.51 0.00 0.03 6.66 1.57 -0.62 -2.58 116.57 122.15 3hs0 h LYS 312 Ca 0.12 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.65 3hs0 h LYS 312 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.56 3hs0 h LYS 312 CO 0.00 0.25 -1.22 1.96 -0.57 0.00 0.00 179.45 179.86 3hs0 h GLN 313 N 0.00 0.07 -0.00 3.15 1.08 -0.43 -3.33 115.11 115.65 3hs0 h GLN 313 Ca -0.00 -0.12 -0.17 0.00 -1.45 0.00 0.00 58.65 56.91 3hs0 h GLN 313 Cb 0.84 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.29 3hs0 h GLN 313 CO 0.03 0.95 -0.79 1.25 -0.95 0.00 0.00 178.83 179.32 3hs0 h LEU 314 N 0.02 0.06 -0.49 1.46 5.85 -0.86 -2.73 115.31 118.61 3hs0 h LEU 314 Ca -0.10 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3hs0 h LEU 314 Cb 1.87 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.88 3hs0 h LEU 314 CO 0.13 0.83 0.00 0.59 -0.34 0.00 0.00 178.44 179.65 3hs0 n ASN 315 N -3.63 0.76 0.07 1.25 3.02 -0.99 -2.84 115.26 112.90 3hs0 n ASN 315 Ca -0.01 -1.26 0.11 0.00 -0.03 0.00 0.00 54.58 53.39 3hs0 n ASN 315 Cb 0.76 -0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.88 3hs0 n ASN 315 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hs0 n GLU 316 N -0.40 0.61 -1.68 3.52 -0.58 -1.04 -4.91 120.64 116.16 3hs0 n GLU 316 Ca 0.21 0.03 -0.45 0.00 -0.42 0.00 0.00 57.16 56.53 3hs0 n GLU 316 Cb 0.23 -1.73 -0.04 0.00 -0.57 0.00 0.00 31.44 29.33 3hs0 n GLU 316 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3hs0 n ILE 317 N -2.53 0.10 -3.95 -3.67 2.08 -1.13 -4.97 119.36 105.29 3hs0 n ILE 317 Ca -0.01 -0.02 -0.29 0.00 0.56 0.00 0.00 62.75 62.99 3hs0 n ILE 317 Cb 0.55 -1.71 -0.16 0.00 -0.75 0.00 0.00 39.64 37.57 3hs0 n ILE 317 CO 0.00 0.00 0.00 0.21 0.56 0.00 0.00 176.55 177.32 3hs0 s ASN 318 N 1.47 2.90 0.58 4.38 2.47 -1.26 -5.00 114.94 120.48 3hs0 s ASN 318 Ca 0.80 -0.65 0.29 0.00 0.42 0.00 0.00 52.86 53.71 3hs0 s ASN 318 Cb -0.63 -1.05 1.46 0.00 -1.45 0.00 0.00 41.25 39.58 3hs0 s ASN 318 CO 0.38 -0.14 1.88 0.22 -3.72 0.00 0.00 177.10 175.72 3hs0 h TYR 319 N 8.07 0.00 0.00 0.43 3.20 -1.96 0.17 116.97 126.87 3hs0 h TYR 319 Ca -0.29 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.58 3hs0 h TYR 319 Cb 1.11 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.38 3hs0 h TYR 319 CO 0.47 0.00 0.00 0.39 -1.64 0.00 0.00 178.16 177.38 3hs0 n GLU 320 N -3.80 0.11 -0.00 1.82 -0.58 -1.26 -2.62 120.64 114.31 3hs0 n GLU 320 Ca 0.10 0.41 -0.04 0.00 -0.42 0.00 0.00 57.16 57.21 3hs0 n GLU 320 Cb 0.74 -1.73 0.19 0.00 -0.57 0.00 0.00 31.44 30.06 3hs0 n GLU 320 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 3hs0 h ASP 321 N 0.00 0.53 -0.03 1.62 3.32 -1.09 -3.12 116.42 117.66 3hs0 h ASP 321 Ca 0.00 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.87 3hs0 h ASP 321 Cb 0.24 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3hs0 h ASP 321 CO 0.00 0.76 -0.07 1.41 -1.72 0.00 0.00 179.24 179.62 3hs0 n HIS 322 N -4.13 0.00 0.25 4.55 8.25 -1.08 -4.46 115.22 118.60 3hs0 n HIS 322 Ca -0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.53 3hs0 n HIS 322 Cb 0.40 0.00 0.61 0.00 1.12 0.00 0.00 29.99 32.12 3hs0 n HIS 322 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 3hs0 h LYS 323 N 4.28 0.00 0.17 -0.41 3.64 -1.60 -2.71 116.57 119.94 3hs0 h LYS 323 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3hs0 h LYS 323 Cb 0.94 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 3hs0 h LYS 323 CO 0.00 0.07 -0.08 1.25 -2.27 0.00 0.00 179.45 178.42 3hs0 h LEU 324 N 0.00 -0.19 -7.84 5.20 5.85 -1.79 -3.39 115.31 113.16 3hs0 h LEU 324 Ca -0.00 -0.20 -0.68 0.00 0.84 0.00 0.00 57.88 57.84 3hs0 h LEU 324 Cb 0.12 0.05 -0.36 0.00 0.37 0.00 0.00 40.66 40.84 3hs0 h LEU 324 CO 0.01 0.10 -0.67 -0.54 -0.34 0.00 0.00 178.44 177.00 3hs0 s LYS 325 N -5.05 1.96 -0.25 1.25 1.02 -1.02 -5.00 119.74 112.64 3hs0 s LYS 325 Ca -0.15 -1.66 0.13 0.00 0.02 0.00 0.00 55.97 54.32 3hs0 s LYS 325 Cb 0.03 -3.29 0.66 0.00 -0.52 0.00 0.00 37.83 34.71 3hs0 s LYS 325 CO 0.62 -0.87 1.63 -1.13 -0.92 0.00 0.00 175.35 174.68 3hs0 n SER 326 N 4.47 4.44 -3.18 2.83 3.41 -1.22 -3.70 113.62 120.68 3hs0 n SER 326 Ca -0.04 -3.16 -0.18 0.00 -0.26 0.00 0.00 58.87 55.23 3hs0 n SER 326 Cb 0.42 -0.65 0.14 0.00 -0.26 0.00 0.00 64.21 63.86 3hs0 n SER 326 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hs0 n GLY 327 N -0.23 -1.91 2.69 5.00 0.00 -1.26 -1.73 105.19 107.75 3hs0 n GLY 327 Ca 0.31 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 3hs0 n GLY 327 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hs0 s THR 328 N -2.58 1.29 -0.87 2.61 2.01 -1.25 -2.14 115.64 114.72 3hs0 s THR 328 Ca 0.46 -2.49 0.01 0.00 0.31 0.00 0.00 61.69 59.98 3hs0 s THR 328 Cb -0.03 -1.91 0.29 0.00 0.01 0.00 0.00 72.50 70.87 3hs0 s THR 328 CO 0.33 -0.91 1.20 -3.20 -0.69 0.00 0.00 174.62 171.35 3hs0 n ASN 329 N 3.57 5.36 0.06 3.53 2.85 0.54 -1.43 115.26 129.75 3hs0 n ASN 329 Ca 0.09 -3.48 0.16 0.00 -0.11 0.00 0.00 54.58 51.24 3hs0 n ASN 329 Cb 0.35 -0.98 0.65 0.00 1.24 0.00 0.00 39.78 41.04 3hs0 n ASN 329 CO 0.00 0.00 0.00 0.74 -2.11 0.00 0.00 177.26 175.89 3hs0 h THR 330 N 3.18 0.83 -0.28 -0.44 2.02 -1.82 -1.85 112.91 114.55 3hs0 h THR 330 Ca 0.23 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.42 3hs0 h THR 330 Cb 0.59 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3hs0 h THR 330 CO 1.09 0.01 0.09 0.50 0.37 0.00 0.00 175.52 177.58 3hs0 h LYS 331 N 0.05 0.20 -0.21 6.66 3.64 -1.81 -2.28 116.57 122.82 3hs0 h LYS 331 Ca 0.19 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.59 3hs0 h LYS 331 Cb 0.67 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 3hs0 h LYS 331 CO -0.01 0.13 0.02 0.87 -2.27 0.00 0.00 179.45 178.19 3hs0 h LYS 332 N 0.21 0.09 -0.94 1.90 1.57 -1.67 -0.94 116.57 116.79 3hs0 h LYS 332 Ca 0.12 -0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.00 3hs0 h LYS 332 Cb 0.10 -0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.32 3hs0 h LYS 332 CO -0.14 0.06 0.60 0.00 -0.57 0.00 0.00 179.45 179.41 3hs0 h ALA 333 N 1.17 1.60 0.00 3.86 0.00 -1.49 -0.00 119.26 124.39 3hs0 h ALA 333 Ca 0.10 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3hs0 h ALA 333 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3hs0 h ALA 333 CO -0.15 0.20 -0.20 -0.07 0.00 0.00 0.00 179.25 179.03 3hs0 h LEU 334 N 0.93 0.00 0.00 0.00 3.38 -0.95 -2.87 115.31 115.80 3hs0 h LEU 334 Ca 0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.42 3hs0 h LEU 334 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3hs0 h LEU 334 CO -0.21 0.20 -0.05 -0.61 0.09 0.00 0.00 178.44 177.86 3hs0 h GLN 335 N 0.00 0.00 0.10 1.13 4.15 0.32 -1.45 115.11 119.36 3hs0 h GLN 335 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 3hs0 h GLN 335 Cb 1.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.78 3hs0 h GLN 335 CO 0.03 0.00 -0.05 0.00 -1.93 0.00 0.00 178.83 176.88 3hs0 h ALA 336 N 2.15 -0.13 -0.77 3.38 0.00 -0.92 -2.27 119.26 120.70 3hs0 h ALA 336 Ca 0.00 -0.22 0.13 0.00 0.00 0.00 0.00 54.91 54.82 3hs0 h ALA 336 Cb 0.92 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 3hs0 h ALA 336 CO 0.00 -0.34 0.35 0.28 0.00 0.00 0.00 179.25 179.54 3hs0 h VAL 337 N -0.60 0.73 -0.96 0.00 2.07 -1.40 0.19 116.25 116.29 3hs0 h VAL 337 Ca -0.01 -0.18 0.08 0.00 0.82 0.00 0.00 66.70 67.40 3hs0 h VAL 337 Cb 0.48 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 3hs0 h VAL 337 CO 0.02 0.10 0.60 0.22 0.02 0.00 0.00 177.57 178.53 3hs0 h TYR 338 N 0.53 1.11 0.08 1.57 3.20 -1.22 -1.66 116.97 120.58 3hs0 h TYR 338 Ca 0.41 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.32 3hs0 h TYR 338 Cb 0.57 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.47 3hs0 h TYR 338 CO -0.13 0.53 -0.09 0.77 -1.64 0.00 0.00 178.16 177.60 3hs0 h SER 339 N 1.05 -0.24 -0.46 -2.11 0.02 -0.36 -2.32 113.55 109.13 3hs0 h SER 339 Ca 0.43 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.46 3hs0 h SER 339 Cb 0.26 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.86 3hs0 h SER 339 CO -0.20 -0.14 0.31 0.24 -1.14 0.00 0.00 176.83 175.90 3hs0 h MET 340 N -0.19 0.39 -0.23 3.45 2.86 -0.98 -2.82 114.93 117.40 3hs0 h MET 340 Ca 0.01 -0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.45 3hs0 h MET 340 Cb 0.19 -0.09 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 3hs0 h MET 340 CO -0.04 0.26 -0.56 0.52 1.06 0.00 0.00 176.91 178.15 3hs0 h MET 341 N 0.40 0.72 0.00 1.72 2.07 -0.80 -3.45 114.93 115.58 3hs0 h MET 341 Ca 0.20 -0.46 0.00 0.00 -2.07 0.00 0.00 59.70 57.37 3hs0 h MET 341 Cb 0.27 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 3hs0 h MET 341 CO -0.05 1.08 0.00 -1.13 1.07 0.00 0.00 176.91 177.88 3hs0 n SER 342 N -3.98 0.00 -3.63 1.22 3.41 -0.93 -5.11 113.62 104.60 3hs0 n SER 342 Ca -0.04 -0.79 -0.13 0.00 -0.26 0.00 0.00 58.87 57.66 3hs0 n SER 342 Cb 0.62 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.50 3hs0 n SER 342 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 3hs0 s TRP 343 N -0.21 -0.76 0.00 7.33 -2.14 -1.26 -5.06 118.94 116.84 3hs0 s TRP 343 Ca 0.00 1.82 0.00 0.00 2.66 0.00 0.00 56.10 60.58 3hs0 s TRP 343 Cb 0.00 0.32 0.00 0.00 -3.10 0.00 0.00 33.47 30.69 3hs0 s TRP 343 CO 0.00 -0.37 0.82 -2.30 -2.66 0.00 0.00 176.95 172.44 3hs0 n PRO 344 N 2.77 0.00 0.00 3.25 -0.02 -1.26 -4.29 135.00 135.45 3hs0 n PRO 344 Ca -0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.34 3hs0 n PRO 344 Cb 0.55 -0.95 0.00 0.00 -0.02 0.00 0.00 33.50 33.08 3hs0 n PRO 344 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3hs0 n ASP 345 N 4.02 0.00 -0.67 2.55 4.64 -1.26 -4.50 116.55 121.33 3hs0 n ASP 345 Ca 0.00 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.41 3hs0 n ASP 345 Cb 0.41 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.49 3hs0 n ASP 345 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 3hs0 n ASP 346 N 1.70 0.00 -3.57 1.67 4.64 -1.26 -4.80 116.55 114.92 3hs0 n ASP 346 Ca 0.00 0.00 -0.27 0.00 -1.38 0.00 0.00 54.79 53.14 3hs0 n ASP 346 Cb 0.00 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.12 3hs0 n ASP 346 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 3hs0 n VAL 347 N 0.00 -6.61 -2.80 5.18 3.14 -1.26 -4.92 118.33 111.06 3hs0 n VAL 347 Ca 0.00 -0.96 -0.41 0.00 -2.96 0.00 0.00 64.34 60.01 3hs0 n VAL 347 Cb 0.00 -4.83 -0.03 0.00 -1.06 0.00 0.00 33.84 27.92 3hs0 n VAL 347 CO 0.00 0.00 0.00 -2.84 -6.46 0.00 0.00 176.83 167.53 3hs0 s PRO 348 N -5.49 4.51 0.76 1.45 0.02 -1.26 -4.86 135.00 130.14 3hs0 s PRO 348 Ca 0.43 1.27 -0.14 0.00 0.02 0.00 0.00 61.00 62.58 3hs0 s PRO 348 Cb -0.13 -3.47 0.06 0.00 0.02 0.00 0.00 34.50 30.97 3hs0 s PRO 348 CO 0.84 -0.05 1.22 -2.14 -0.33 0.00 0.00 177.00 176.53 3hs0 s PRO 349 N 1.09 1.90 0.33 5.54 0.02 -1.26 -4.95 135.00 137.67 3hs0 s PRO 349 Ca 0.48 1.80 -0.28 0.00 0.02 0.00 0.00 61.00 63.02 3hs0 s PRO 349 Cb -0.20 -1.80 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 3hs0 s PRO 349 CO 0.24 -2.03 1.22 -2.00 -0.33 0.00 0.00 177.00 174.11 3hs0 s GLU 350 N -3.97 4.36 -0.51 5.54 2.56 -1.26 -3.05 118.70 122.37 3hs0 s GLU 350 Ca 0.75 2.02 0.00 0.00 0.00 0.00 0.00 54.97 57.74 3hs0 s GLU 350 Cb -0.30 -3.02 0.00 0.00 2.00 0.00 0.00 34.13 32.81 3hs0 s GLU 350 CO 0.48 -0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.48 3hs0 n GLY 351 N 0.87 0.59 0.22 -1.50 0.00 -1.26 -4.93 105.19 99.18 3hs0 n GLY 351 Ca 0.01 -0.78 -0.14 0.00 0.00 0.00 0.00 46.02 45.10 3hs0 n GLY 351 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3hs0 h TRP 352 N 0.00 0.90 -0.32 1.61 5.08 -1.92 -3.02 115.95 118.29 3hs0 h TRP 352 Ca -0.11 -0.30 -0.17 0.00 1.08 0.00 0.00 58.89 59.39 3hs0 h TRP 352 Cb 0.56 -0.18 -0.10 0.00 -3.00 0.00 0.00 29.16 26.45 3hs0 h TRP 352 CO 0.14 1.08 0.21 0.27 -1.28 0.00 0.00 178.44 178.86 3hs0 n ASN 353 N -4.19 3.48 0.00 0.11 6.94 -1.26 -3.06 115.26 117.29 3hs0 n ASN 353 Ca -0.05 -2.54 0.00 0.00 -0.02 0.00 0.00 54.58 51.98 3hs0 n ASN 353 Cb 0.53 -0.65 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 3hs0 n ASN 353 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 3hs0 n ARG 354 N 0.04 2.10 -3.51 -3.83 0.63 -1.14 -5.06 116.66 105.89 3hs0 n ARG 354 Ca 0.19 -0.03 -0.37 0.00 -0.92 0.00 0.00 57.85 56.72 3hs0 n ARG 354 Cb 0.85 -0.26 -0.06 0.00 0.45 0.00 0.00 32.46 33.43 3hs0 n ARG 354 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3hs0 s THR 355 N -0.31 5.23 -0.25 5.15 2.01 -1.17 -3.56 115.64 122.74 3hs0 s THR 355 Ca 0.00 0.68 -0.09 0.00 0.31 0.00 0.00 61.69 62.58 3hs0 s THR 355 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 3hs0 s THR 355 CO 0.00 0.44 0.13 -0.60 -0.69 0.00 0.00 174.62 173.90 3hs0 s ARG 356 N -0.01 3.89 -0.22 4.92 3.52 -0.85 -4.93 118.95 125.27 3hs0 s ARG 356 Ca 0.20 -0.36 -0.09 0.00 -0.13 0.00 0.00 55.73 55.35 3hs0 s ARG 356 Cb -0.14 -3.48 -0.05 0.00 -1.56 0.00 0.00 34.95 29.73 3hs0 s ARG 356 CO 0.08 -0.08 0.12 -1.01 -0.81 0.00 0.00 175.30 173.60 3hs0 s HIS 357 N 1.39 3.28 -0.20 5.12 3.76 0.12 -1.02 115.29 127.75 3hs0 s HIS 357 Ca 0.06 0.12 -0.00 0.00 -0.15 0.00 0.00 55.06 55.10 3hs0 s HIS 357 Cb -0.15 -2.20 0.05 0.00 1.11 0.00 0.00 32.58 31.40 3hs0 s HIS 357 CO 0.06 0.07 -0.05 0.08 -0.85 0.00 0.00 174.74 174.06 3hs0 s VAL 358 N 0.83 1.22 -0.22 -0.90 1.01 0.14 -1.06 120.40 121.42 3hs0 s VAL 358 Ca 0.06 -0.86 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 3hs0 s VAL 358 Cb -0.13 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3hs0 s VAL 358 CO 0.02 0.01 0.25 -0.63 0.00 0.00 0.00 175.10 174.75 3hs0 s ILE 359 N 1.56 5.31 -0.46 2.22 1.01 0.35 -1.38 121.20 129.82 3hs0 s ILE 359 Ca -0.02 0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.92 3hs0 s ILE 359 Cb -0.17 -3.58 0.11 0.00 0.01 0.00 0.00 42.46 38.83 3hs0 s ILE 359 CO -0.07 0.33 0.32 -0.63 0.00 0.00 0.00 174.94 174.88 3hs0 s ILE 360 N 1.04 4.19 -0.20 2.92 -1.09 0.14 -0.66 121.20 127.55 3hs0 s ILE 360 Ca 0.12 -1.69 -0.06 0.00 -2.23 0.00 0.00 60.65 56.79 3hs0 s ILE 360 Cb -0.14 -3.71 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 3hs0 s ILE 360 CO 0.05 -0.70 0.04 -0.22 -1.23 0.00 0.00 174.94 172.88 3hs0 s LEU 361 N 1.37 3.54 -0.34 2.97 2.96 0.33 -0.52 118.68 129.00 3hs0 s LEU 361 Ca 0.05 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 3hs0 s LEU 361 Cb -0.25 -1.90 0.10 0.00 0.50 0.00 0.00 46.19 44.64 3hs0 s LEU 361 CO -0.00 0.11 0.06 -0.04 -1.32 0.00 0.00 176.35 175.15 3hs0 s MET 362 N 0.77 1.39 0.07 1.98 -1.94 -0.48 -1.13 119.30 119.95 3hs0 s MET 362 Ca 0.02 -1.78 -0.07 0.00 -1.71 0.00 0.00 55.69 52.14 3hs0 s MET 362 Cb -0.14 -3.06 -0.01 0.00 2.01 0.00 0.00 34.83 33.64 3hs0 s MET 362 CO 0.02 -0.95 0.15 -0.08 -0.01 0.00 0.00 175.02 174.15 3hs0 s THR 363 N 0.98 0.14 -1.57 2.05 -1.32 -1.08 -1.95 115.64 112.91 3hs0 s THR 363 Ca 0.11 -1.18 0.30 0.00 -1.21 0.00 0.00 61.69 59.70 3hs0 s THR 363 Cb -0.19 -1.20 0.51 0.00 -1.51 0.00 0.00 72.50 70.11 3hs0 s THR 363 CO -0.10 -0.65 1.97 -0.90 -2.21 0.00 0.00 174.62 172.72 3hs0 n ASP 364 N 0.25 0.23 -1.09 8.08 5.68 -1.26 -3.96 116.55 124.48 3hs0 n ASP 364 Ca -0.16 -0.41 -0.08 0.00 -0.50 0.00 0.00 54.79 53.63 3hs0 n ASP 364 Cb 0.61 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 3hs0 n ASP 364 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hs0 n GLY 365 N 1.27 0.09 2.81 6.12 0.00 -1.26 -1.57 105.19 112.64 3hs0 n GLY 365 Ca 0.15 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 3hs0 n GLY 365 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hs0 n LEU 366 N -1.39 5.72 -4.76 0.99 4.77 -1.26 -4.56 117.00 116.50 3hs0 n LEU 366 Ca -0.08 -5.53 -0.39 0.00 -0.03 0.00 0.00 56.01 49.98 3hs0 n LEU 366 Cb 0.57 -0.81 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 3hs0 n LEU 366 CO 0.14 2.22 0.95 -1.38 -1.33 0.00 0.00 177.39 177.99 3hs0 s HIS 367 N -3.84 2.67 0.00 -1.77 -3.43 -1.26 -4.84 115.29 102.82 3hs0 s HIS 367 Ca 0.45 1.41 0.00 0.00 -0.80 0.00 0.00 55.06 56.12 3hs0 s HIS 367 Cb 0.25 -3.67 0.00 0.00 -1.43 0.00 0.00 32.58 27.73 3hs0 s HIS 367 CO -0.14 -2.26 0.16 0.27 -2.00 0.00 0.00 174.74 170.77 3hs0 n ASN 368 N -0.29 0.14 -3.99 7.38 0.23 -0.51 -5.03 115.26 113.17 3hs0 n ASN 368 Ca 0.06 -1.02 -0.13 0.00 -0.53 0.00 0.00 54.58 52.96 3hs0 n ASN 368 Cb 0.45 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 38.02 3hs0 n ASN 368 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3hs0 s MET 369 N -0.02 0.39 0.00 -3.83 -1.94 -1.06 -4.87 119.30 107.97 3hs0 s MET 369 Ca 0.00 -0.49 0.00 0.00 -1.71 0.00 0.00 55.69 53.49 3hs0 s MET 369 Cb 0.00 -0.19 0.00 0.00 2.01 0.00 0.00 34.83 36.65 3hs0 s MET 369 CO 0.00 0.04 0.00 0.41 -0.01 0.00 0.00 175.02 175.46 3hs0 n GLY 370 N 2.06 0.88 7.00 -0.03 0.00 -1.26 -4.17 105.19 109.68 3hs0 n GLY 370 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3hs0 n GLY 370 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs0 n GLY 371 N -2.14 -0.06 3.67 -0.02 0.00 -1.26 -4.80 105.19 100.58 3hs0 n GLY 371 Ca 0.00 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 3hs0 n GLY 371 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hs0 s ASP 372 N -4.00 6.73 0.52 1.61 2.15 -1.26 -4.60 116.67 117.82 3hs0 s ASP 372 Ca 0.00 2.15 0.20 0.00 0.43 0.00 0.00 52.55 55.34 3hs0 s ASP 372 Cb 0.00 -2.54 1.35 0.00 -0.30 0.00 0.00 42.92 41.43 3hs0 s ASP 372 CO 0.00 -0.87 2.12 -0.65 -0.17 0.00 0.00 175.17 175.61 3hs0 h PRO 373 N 8.98 0.00 -0.88 4.34 0.11 -1.92 -3.18 132.00 139.46 3hs0 h PRO 373 Ca -0.37 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.92 3hs0 h PRO 373 Cb 1.17 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.17 3hs0 h PRO 373 CO 0.95 0.07 0.43 0.82 -0.21 0.00 0.00 178.00 180.05 3hs0 h ILE 374 N 0.00 0.62 -0.95 4.15 2.04 -1.92 -1.24 117.51 120.20 3hs0 h ILE 374 Ca -0.00 -0.18 0.28 0.00 1.00 0.00 0.00 64.86 65.96 3hs0 h ILE 374 Cb 0.13 0.04 -0.15 0.00 -0.74 0.00 0.00 36.82 36.10 3hs0 h ILE 374 CO 0.01 0.10 0.42 0.71 0.00 0.00 0.00 178.15 179.39 3hs0 h THR 375 N 0.53 0.31 -0.23 -0.27 1.35 -1.97 0.67 112.91 113.31 3hs0 h THR 375 Ca 0.51 -0.10 -0.16 0.00 -0.55 0.00 0.00 66.41 66.11 3hs0 h THR 375 Cb 0.84 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.26 3hs0 h THR 375 CO -0.43 0.05 -0.52 0.58 -0.25 0.00 0.00 175.52 174.95 3hs0 h VAL 376 N 0.29 1.30 -0.32 6.82 2.07 -1.47 -0.43 116.25 124.51 3hs0 h VAL 376 Ca 0.65 -1.73 0.02 0.00 0.82 0.00 0.00 66.70 66.46 3hs0 h VAL 376 Cb 1.41 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 32.83 3hs0 h VAL 376 CO -0.62 0.55 0.16 0.40 0.02 0.00 0.00 177.57 178.07 3hs0 h ILE 377 N 0.51 0.99 -0.47 4.57 1.08 -0.95 0.35 117.51 123.59 3hs0 h ILE 377 Ca 0.02 -0.11 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 3hs0 h ILE 377 Cb 1.07 0.62 -0.07 0.00 -3.07 0.00 0.00 36.82 35.38 3hs0 h ILE 377 CO 0.10 0.06 0.04 0.44 -0.69 0.00 0.00 178.15 178.11 3hs0 h ASP 378 N 0.33 -0.11 -0.36 1.72 5.19 -0.80 -0.75 116.42 121.64 3hs0 h ASP 378 Ca 0.13 0.10 0.02 0.00 -0.62 0.00 0.00 57.03 56.66 3hs0 h ASP 378 Cb 0.05 0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.69 3hs0 h ASP 378 CO -0.09 -0.02 0.20 -0.33 -3.12 0.00 0.00 179.24 175.87 3hs0 h GLU 379 N 0.16 0.39 -0.97 3.56 5.08 -0.44 -2.13 114.58 120.23 3hs0 h GLU 379 Ca 0.24 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.65 3hs0 h GLU 379 Cb 0.34 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 3hs0 h GLU 379 CO -0.36 0.26 0.61 0.82 -1.00 0.00 0.00 179.01 179.35 3hs0 h ILE 380 N 0.40 1.02 -0.07 3.13 2.04 0.51 -1.69 117.51 122.86 3hs0 h ILE 380 Ca 0.14 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.51 3hs0 h ILE 380 Cb 0.02 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 35.95 3hs0 h ILE 380 CO -0.08 0.20 -0.54 0.03 0.00 0.00 0.00 178.15 177.76 3hs0 h ARG 381 N 1.07 0.20 -0.26 2.37 3.08 -0.82 -1.65 114.38 118.37 3hs0 h ARG 381 Ca 0.44 -0.12 0.02 0.00 0.07 0.00 0.00 59.98 60.39 3hs0 h ARG 381 Cb 0.26 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 3hs0 h ARG 381 CO -0.20 0.69 0.10 -0.44 -1.07 0.00 0.00 179.97 179.04 3hs0 h ASP 382 N 0.16 0.12 -0.38 7.04 5.19 -0.67 -0.12 116.42 127.75 3hs0 h ASP 382 Ca 0.00 0.02 -0.08 0.00 -0.62 0.00 0.00 57.03 56.36 3hs0 h ASP 382 Cb 1.00 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 40.49 3hs0 h ASP 382 CO 0.08 0.10 -0.02 0.25 -3.12 0.00 0.00 179.24 176.53 3hs0 h LEU 383 N 0.22 0.75 -0.36 1.55 5.85 -1.06 -2.60 115.31 119.64 3hs0 h LEU 383 Ca 0.11 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3hs0 h LEU 383 Cb 0.07 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.90 3hs0 h LEU 383 CO -0.11 0.83 -0.21 0.18 -0.34 0.00 0.00 178.44 178.79 3hs0 n LEU 384 N -4.21 0.77 -3.30 2.25 4.77 -0.65 -4.94 117.00 111.69 3hs0 n LEU 384 Ca 0.02 -0.13 -0.16 0.00 -0.03 0.00 0.00 56.01 55.71 3hs0 n LEU 384 Cb 0.31 -0.16 0.08 0.00 -2.33 0.00 0.00 43.42 41.32 3hs0 n LEU 384 CO 0.42 0.15 0.10 0.00 -1.33 0.00 0.00 177.39 176.72 3hs0 n TYR 385 N -0.82 -2.11 -4.28 -1.77 9.36 -0.35 -5.00 117.16 112.20 3hs0 n TYR 385 Ca 0.13 0.89 -0.34 0.00 3.32 0.00 0.00 57.90 61.89 3hs0 n TYR 385 Cb 0.32 -4.85 -0.12 0.00 -0.63 0.00 0.00 39.34 34.06 3hs0 n TYR 385 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3hs0 s ILE 386 N -3.35 4.05 -0.26 2.97 1.01 -0.20 -4.42 121.20 121.01 3hs0 s ILE 386 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.40 3hs0 s ILE 386 Cb -0.01 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.67 3hs0 s ILE 386 CO 0.70 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.72 3hs0 n GLY 387 N 3.66 0.58 0.02 6.18 0.00 -0.09 -4.71 105.19 110.83 3hs0 n GLY 387 Ca -0.17 -0.60 0.03 0.00 0.00 0.00 0.00 46.02 45.28 3hs0 n GLY 387 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hs0 n LYS 388 N -2.69 0.87 -3.89 1.61 5.02 -1.26 -4.87 118.16 112.95 3hs0 n LYS 388 Ca -0.02 -0.09 -0.35 0.00 -2.02 0.00 0.00 58.31 55.82 3hs0 n LYS 388 Cb 0.11 -1.33 -0.14 0.00 -0.02 0.00 0.00 35.03 33.65 3hs0 n LYS 388 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3hs0 s ASP 389 N -3.91 4.64 0.29 4.39 -1.08 -1.26 -4.97 116.67 114.77 3hs0 s ASP 389 Ca -0.06 -0.90 0.02 0.00 -0.52 0.00 0.00 52.55 51.10 3hs0 s ASP 389 Cb 0.07 -1.73 0.59 0.00 -1.46 0.00 0.00 42.92 40.39 3hs0 s ASP 389 CO 0.57 -0.17 1.82 -0.09 0.52 0.00 0.00 175.17 177.81 3hs0 h ARG 390 N 8.07 0.90 0.00 4.34 2.43 -1.97 -0.82 114.38 127.34 3hs0 h ARG 390 Ca -0.30 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 58.80 3hs0 h ARG 390 Cb 1.10 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 3hs0 h ARG 390 CO 0.58 0.60 -0.05 -0.22 -1.51 0.00 0.00 179.97 179.36 3hs0 h LYS 391 N 0.93 0.00 -0.95 0.20 3.64 -2.02 -3.39 116.57 114.98 3hs0 h LYS 391 Ca 0.52 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.79 3hs0 h LYS 391 Cb 0.59 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.24 3hs0 h LYS 391 CO -0.30 0.05 -0.45 1.21 -2.27 0.00 0.00 179.45 177.69 3hs0 s ASN 392 N -5.82 -1.41 0.52 4.20 2.47 -0.39 -5.05 114.94 109.45 3hs0 s ASN 392 Ca 0.01 -1.29 0.29 0.00 0.42 0.00 0.00 52.86 52.29 3hs0 s ASN 392 Cb 0.09 1.82 1.35 0.00 -1.45 0.00 0.00 41.25 43.06 3hs0 s ASN 392 CO 0.57 -0.09 2.00 -0.65 -3.72 0.00 0.00 177.10 175.21 3hs0 h PRO 393 N 5.70 0.00 -1.71 0.43 0.11 -1.55 -3.38 132.00 131.61 3hs0 h PRO 393 Ca 0.05 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.82 3hs0 h PRO 393 Cb 1.14 0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.14 3hs0 h PRO 393 CO 0.04 0.12 -0.34 0.54 -0.21 0.00 0.00 178.00 178.15 3hs0 n ARG 394 N -3.39 -1.50 0.29 1.05 1.74 -1.26 -0.91 116.66 112.68 3hs0 n ARG 394 Ca -0.01 0.94 0.15 0.00 -0.77 0.00 0.00 57.85 58.17 3hs0 n ARG 394 Cb 0.30 -5.33 0.87 0.00 -1.02 0.00 0.00 32.46 27.28 3hs0 n ARG 394 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3hs0 h GLU 395 N 0.00 0.00 -0.26 5.56 4.39 -1.92 -2.70 114.58 119.65 3hs0 h GLU 395 Ca -0.35 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.42 3hs0 h GLU 395 Cb 1.13 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3hs0 h GLU 395 CO 0.49 0.05 0.24 -0.44 -1.16 0.00 0.00 179.01 178.19 3hs0 h ASP 396 N 0.00 0.00 0.03 1.42 3.32 -2.02 -3.09 116.42 116.08 3hs0 h ASP 396 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hs0 h ASP 396 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 3hs0 h ASP 396 CO 0.01 0.00 -0.04 -1.22 -1.72 0.00 0.00 179.24 176.27 3hs0 n TYR 397 N -4.03 0.00 -3.82 4.55 4.01 -1.02 -4.72 117.16 112.13 3hs0 n TYR 397 Ca 0.03 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.57 3hs0 n TYR 397 Cb 0.38 -0.02 -0.17 0.00 -0.31 0.00 0.00 39.34 39.22 3hs0 n TYR 397 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 3hs0 s LEU 398 N -2.08 0.71 -0.13 7.72 2.96 -1.17 0.11 118.68 126.81 3hs0 s LEU 398 Ca 0.37 -0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.26 3hs0 s LEU 398 Cb 0.21 -0.30 0.02 0.00 0.50 0.00 0.00 46.19 46.62 3hs0 s LEU 398 CO 0.36 -0.17 -0.14 -1.81 -1.32 0.00 0.00 176.35 173.27 3hs0 s ASP 399 N 1.65 2.55 -0.23 3.68 1.01 -0.22 -5.01 116.67 120.09 3hs0 s ASP 399 Ca -0.01 -0.45 -0.06 0.00 0.71 0.00 0.00 52.55 52.75 3hs0 s ASP 399 Cb -0.13 -1.12 -0.02 0.00 1.01 0.00 0.00 42.92 42.66 3hs0 s ASP 399 CO -0.03 -0.03 0.02 -0.69 0.21 0.00 0.00 175.17 174.65 3hs0 s VAL 400 N 1.29 3.90 -0.06 -1.27 1.01 -1.26 -0.49 120.40 123.51 3hs0 s VAL 400 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3hs0 s VAL 400 Cb -0.14 -2.80 -0.02 0.00 0.00 0.00 0.00 36.38 33.42 3hs0 s VAL 400 CO -0.07 0.38 -0.13 -0.31 0.00 0.00 0.00 175.10 174.98 3hs0 s TYR 401 N 1.49 2.75 -0.05 5.22 2.02 0.17 -1.28 117.35 127.66 3hs0 s TYR 401 Ca 0.06 -0.20 0.02 0.00 -0.37 0.00 0.00 57.07 56.58 3hs0 s TYR 401 Cb -0.15 -1.67 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 3hs0 s TYR 401 CO 0.01 0.15 -0.12 0.08 -1.57 0.00 0.00 175.55 174.10 3hs0 s VAL 402 N -0.58 1.06 -0.13 0.71 1.01 -0.80 -0.51 120.40 121.15 3hs0 s VAL 402 Ca 0.08 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.61 3hs0 s VAL 402 Cb -0.11 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 3hs0 s VAL 402 CO 0.01 0.33 -0.13 -0.36 0.00 0.00 0.00 175.10 174.96 3hs0 s PHE 403 N 0.55 2.82 -0.19 5.22 0.08 -0.28 -1.59 117.98 124.59 3hs0 s PHE 403 Ca -0.11 -0.65 -0.11 0.00 0.12 0.00 0.00 56.93 56.17 3hs0 s PHE 403 Cb -0.14 -1.86 -0.05 0.00 -0.57 0.00 0.00 43.02 40.40 3hs0 s PHE 403 CO 0.03 -0.22 0.18 0.20 -0.10 0.00 0.00 175.22 175.31 3hs0 s GLY 404 N 0.40 2.09 0.05 4.36 0.00 0.87 -2.62 107.32 112.47 3hs0 s GLY 404 Ca -0.10 -0.62 -0.23 0.00 0.00 0.00 0.00 44.72 43.78 3hs0 s GLY 404 CO 0.05 0.23 1.35 -0.39 0.00 0.00 0.00 173.10 174.34 3hs0 h VAL 405 N 4.68 0.00 0.00 1.40 -1.51 -1.84 -2.86 116.25 116.12 3hs0 h VAL 405 Ca -0.41 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 3hs0 h VAL 405 Cb 1.15 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.31 3hs0 h VAL 405 CO 0.76 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.71 3hs0 n GLY 406 N -1.36 3.71 0.00 5.19 0.00 -1.24 -4.56 105.19 106.93 3hs0 n GLY 406 Ca -0.08 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 45.88 3hs0 n GLY 406 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hs0 n PRO 407 N 0.00 0.64 -0.11 1.61 -0.02 -1.26 -3.18 135.00 132.68 3hs0 n PRO 407 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 3hs0 n PRO 407 Cb 0.00 -1.45 0.10 0.00 -0.02 0.00 0.00 33.50 32.13 3hs0 n PRO 407 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3hs0 n LEU 408 N -0.95 1.97 -4.75 2.45 7.94 -1.26 -4.99 117.00 117.41 3hs0 n LEU 408 Ca 0.14 -2.64 -0.41 0.00 -1.11 0.00 0.00 56.01 51.99 3hs0 n LEU 408 Cb 0.06 -0.32 -0.04 0.00 0.53 0.00 0.00 43.42 43.66 3hs0 n LEU 408 CO 0.10 0.61 0.79 -0.69 -1.11 0.00 0.00 177.39 177.10 3hs0 s VAL 409 N -2.24 3.70 -0.94 1.96 1.01 -1.19 -4.98 120.40 117.72 3hs0 s VAL 409 Ca 0.24 1.56 -0.17 0.00 0.00 0.00 0.00 61.98 63.61 3hs0 s VAL 409 Cb 0.21 -4.00 0.16 0.00 0.00 0.00 0.00 36.38 32.75 3hs0 s VAL 409 CO 0.02 0.31 1.06 0.21 0.00 0.00 0.00 175.10 176.71 3hs0 s ASN 410 N -0.45 6.74 0.36 3.32 3.84 -0.61 -4.92 114.94 123.22 3hs0 s ASN 410 Ca 0.47 -2.37 0.03 0.00 0.21 0.00 0.00 52.86 51.21 3hs0 s ASN 410 Cb -0.31 -2.34 0.68 0.00 -0.55 0.00 0.00 41.25 38.73 3hs0 s ASN 410 CO 0.37 -0.87 2.01 1.56 -2.79 0.00 0.00 177.10 177.38 3hs0 h GLN 411 N 8.31 0.78 -0.82 0.43 4.20 -1.92 -1.65 115.11 124.44 3hs0 h GLN 411 Ca 0.16 -0.05 0.17 0.00 0.06 0.00 0.00 58.65 58.99 3hs0 h GLN 411 Cb 1.01 -0.18 -0.11 0.00 0.30 0.00 0.00 27.48 28.51 3hs0 h GLN 411 CO 1.02 0.52 0.34 0.28 -0.67 0.00 0.00 178.83 180.32 3hs0 h VAL 412 N 0.81 0.60 0.20 -0.54 2.07 -1.91 -2.03 116.25 115.44 3hs0 h VAL 412 Ca 0.23 -0.15 -0.31 0.00 0.82 0.00 0.00 66.70 67.29 3hs0 h VAL 412 Cb -0.04 0.11 0.03 0.00 -1.52 0.00 0.00 31.29 29.87 3hs0 h VAL 412 CO -0.06 0.08 -1.37 0.78 0.02 0.00 0.00 177.57 177.02 3hs0 h ASN 413 N 0.44 0.70 0.48 0.57 2.35 -1.60 -2.72 115.58 115.82 3hs0 h ASN 413 Ca 0.47 -0.74 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 3hs0 h ASN 413 Cb 0.77 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.92 3hs0 h ASN 413 CO -0.45 1.57 0.00 2.30 -1.65 0.00 0.00 177.43 179.21 3hs0 n ILE 414 N -3.66 0.33 -0.04 2.81 -5.35 -1.09 -2.48 119.36 109.88 3hs0 n ILE 414 Ca -0.14 0.08 -0.11 0.00 -0.27 0.00 0.00 62.75 62.31 3hs0 n ILE 414 Cb 1.06 -0.71 -0.14 0.00 -1.74 0.00 0.00 39.64 38.11 3hs0 n ILE 414 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3hs0 n ASN 415 N -1.32 0.94 0.03 7.28 5.15 -0.78 -3.45 115.26 123.09 3hs0 n ASN 415 Ca 0.10 0.28 -0.03 0.00 -0.60 0.00 0.00 54.58 54.33 3hs0 n ASN 415 Cb 0.19 0.01 0.21 0.00 -0.53 0.00 0.00 39.78 39.66 3hs0 n ASN 415 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hs0 h ALA 416 N 0.82 1.10 -0.01 5.20 0.00 -1.16 -3.18 119.26 122.04 3hs0 h ALA 416 Ca -0.37 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 3hs0 h ALA 416 Cb 2.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.74 3hs0 h ALA 416 CO 0.06 0.56 -0.10 -0.07 0.00 0.00 0.00 179.25 179.70 3hs0 h LEU 417 N 0.39 0.11 -9.94 0.00 3.38 -1.70 -3.47 115.31 104.08 3hs0 h LEU 417 Ca 0.05 -0.72 -0.56 0.00 0.09 0.00 0.00 57.88 56.75 3hs0 h LEU 417 Cb 0.69 -0.03 0.18 0.00 0.09 0.00 0.00 40.66 41.58 3hs0 h LEU 417 CO 0.05 0.81 0.09 0.00 0.09 0.00 0.00 178.44 179.49 3hs0 n ALA 418 N -2.49 -0.24 -1.79 1.53 0.00 -1.20 -4.85 120.51 111.47 3hs0 n ALA 418 Ca -0.09 -0.18 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 3hs0 n ALA 418 Cb 0.41 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 3hs0 n ALA 418 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3hs0 s SER 419 N -1.61 6.08 -0.51 0.00 0.01 -0.40 -4.96 113.70 112.31 3hs0 s SER 419 Ca 0.73 2.06 0.04 0.00 1.31 0.00 0.00 55.95 60.09 3hs0 s SER 419 Cb -0.35 -2.57 0.13 0.00 0.21 0.00 0.00 66.02 63.44 3hs0 s SER 419 CO 0.50 -0.97 0.25 -0.54 0.41 0.00 0.00 173.24 172.90 3hs0 s LYS 420 N -3.20 1.95 0.03 12.44 -0.14 -1.26 -4.32 119.74 125.25 3hs0 s LYS 420 Ca 0.69 -2.59 0.06 0.00 -1.36 0.00 0.00 55.97 52.77 3hs0 s LYS 420 Cb -0.20 -3.30 -0.03 0.00 -1.68 0.00 0.00 37.83 32.61 3hs0 s LYS 420 CO 0.24 -1.10 -0.15 0.15 -0.76 0.00 0.00 175.35 173.73 3hs0 s LYS 421 N -0.25 2.22 0.14 1.68 1.02 -1.26 -4.13 119.74 119.17 3hs0 s LYS 421 Ca 0.17 -0.90 -0.35 0.00 0.02 0.00 0.00 55.97 54.91 3hs0 s LYS 421 Cb -0.26 -2.28 -0.15 0.00 -0.52 0.00 0.00 37.83 34.62 3hs0 s LYS 421 CO -0.00 0.56 1.49 -3.47 -0.92 0.00 0.00 175.35 173.00 3hs0 n ASP 422 N 1.55 2.61 -1.65 2.83 -0.08 -0.89 -2.23 116.55 118.69 3hs0 n ASP 422 Ca -0.16 1.10 -0.20 0.00 -1.51 0.00 0.00 54.79 54.02 3hs0 n ASP 422 Cb 0.52 -1.35 -0.08 0.00 2.34 0.00 0.00 41.12 42.55 3hs0 n ASP 422 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 3hs0 n ASN 423 N 3.04 -5.48 -4.34 1.67 2.85 -1.26 -4.96 115.26 106.78 3hs0 n ASN 423 Ca 0.17 0.43 -0.25 0.00 -0.11 0.00 0.00 54.58 54.82 3hs0 n ASN 423 Cb 0.26 -4.72 -0.09 0.00 1.24 0.00 0.00 39.78 36.47 3hs0 n ASN 423 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 3hs0 s GLU 424 N -3.89 1.86 -0.05 1.20 2.02 -0.95 -5.05 118.70 113.84 3hs0 s GLU 424 Ca 0.00 -2.11 -0.02 0.00 0.02 0.00 0.00 54.97 52.86 3hs0 s GLU 424 Cb 0.00 -0.86 0.04 0.00 0.10 0.00 0.00 34.13 33.40 3hs0 s GLU 424 CO 0.00 -0.34 0.10 -1.14 0.02 0.00 0.00 175.26 173.90 3hs0 s GLN 425 N -3.80 -0.02 0.00 1.61 0.74 -1.26 -4.72 119.66 112.20 3hs0 s GLN 425 Ca 0.27 0.42 0.04 0.00 0.05 0.00 0.00 55.36 56.13 3hs0 s GLN 425 Cb 0.05 -0.37 0.03 0.00 1.10 0.00 0.00 33.01 33.83 3hs0 s GLN 425 CO 0.13 -0.29 0.64 0.72 -0.55 0.00 0.00 175.29 175.95 3hs0 n HIS 426 N 5.06 0.01 -4.91 1.67 8.25 -1.26 -4.61 115.22 119.42 3hs0 n HIS 426 Ca -0.09 -0.02 -0.29 0.00 -0.26 0.00 0.00 57.72 57.06 3hs0 n HIS 426 Cb 0.50 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.44 3hs0 n HIS 426 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3hs0 s VAL 427 N -0.35 1.71 -0.03 1.59 0.11 -1.26 -1.91 120.40 120.26 3hs0 s VAL 427 Ca 0.05 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.32 3hs0 s VAL 427 Cb 0.03 -1.51 -0.00 0.00 -1.53 0.00 0.00 36.38 33.37 3hs0 s VAL 427 CO 0.05 0.48 -0.13 -0.36 -3.33 0.00 0.00 175.10 171.81 3hs0 s PHE 428 N 0.54 1.28 -0.12 1.54 0.08 -0.62 -5.01 117.98 115.67 3hs0 s PHE 428 Ca -0.16 -0.34 0.02 0.00 0.12 0.00 0.00 56.93 56.58 3hs0 s PHE 428 Cb -0.17 -0.88 0.01 0.00 -0.57 0.00 0.00 43.02 41.41 3hs0 s PHE 428 CO 0.06 -0.12 -0.19 0.21 -0.10 0.00 0.00 175.22 175.08 3hs0 s LYS 429 N 0.08 2.62 0.11 0.44 2.20 -1.26 -0.09 119.74 123.84 3hs0 s LYS 429 Ca -0.03 -0.71 0.09 0.00 -0.36 0.00 0.00 55.97 54.96 3hs0 s LYS 429 Cb -0.09 -2.12 -0.04 0.00 -1.51 0.00 0.00 37.83 34.07 3hs0 s LYS 429 CO 0.01 0.00 -0.23 0.08 -0.36 0.00 0.00 175.35 174.85 3hs0 s VAL 430 N 0.79 1.92 0.00 4.02 1.01 -1.08 -1.67 120.40 125.38 3hs0 s VAL 430 Ca -0.10 -1.62 0.00 0.00 0.00 0.00 0.00 61.98 60.27 3hs0 s VAL 430 Cb -0.16 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.50 3hs0 s VAL 430 CO 0.01 0.00 0.00 1.17 0.00 0.00 0.00 175.10 176.28 3hs0 n LYS 431 N 1.04 0.00 -0.47 2.72 4.81 -1.26 -3.63 118.16 121.37 3hs0 n LYS 431 Ca -0.19 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 56.98 3hs0 n LYS 431 Cb 0.53 -0.16 0.22 0.00 0.02 0.00 0.00 35.03 35.65 3hs0 n LYS 431 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3hs0 n ASP 432 N 0.00 -2.90 -0.01 3.14 8.00 -1.26 -4.27 116.55 119.25 3hs0 n ASP 432 Ca 0.00 -0.41 -0.04 0.00 0.71 0.00 0.00 54.79 55.05 3hs0 n ASP 432 Cb 0.00 -0.99 -0.12 0.00 -0.02 0.00 0.00 41.12 39.99 3hs0 n ASP 432 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3hs0 n MET 433 N -3.67 0.64 -0.20 -1.24 0.00 -1.26 -3.61 117.12 107.77 3hs0 n MET 433 Ca 0.05 0.19 -0.02 0.00 -0.00 0.00 0.00 57.70 57.93 3hs0 n MET 433 Cb 0.54 -1.74 0.08 0.00 0.00 0.00 0.00 33.22 32.10 3hs0 n MET 433 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 175.97 177.46 3hs0 h GLU 434 N 0.00 0.57 -0.37 2.12 4.81 -1.97 -0.01 114.58 119.73 3hs0 h GLU 434 Ca -0.26 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 58.87 3hs0 h GLU 434 Cb 1.82 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 31.06 3hs0 h GLU 434 CO 0.05 0.38 -0.04 -0.91 -0.73 0.00 0.00 179.01 177.76 3hs0 h ASN 435 N 0.58 0.58 0.03 1.04 2.35 -1.93 -1.93 115.58 116.31 3hs0 h ASN 435 Ca 0.27 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3hs0 h ASN 435 Cb 0.19 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3hs0 h ASN 435 CO -0.19 0.68 -0.02 0.25 -1.65 0.00 0.00 177.43 176.51 3hs0 h LEU 436 N 0.57 -0.04 -1.02 1.61 5.85 -1.30 -2.46 115.31 118.53 3hs0 h LEU 436 Ca 0.11 -0.38 0.23 0.00 0.84 0.00 0.00 57.88 58.68 3hs0 h LEU 436 Cb 0.42 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.35 3hs0 h LEU 436 CO 0.02 0.37 0.60 -0.33 -0.34 0.00 0.00 178.44 178.76 3hs0 h GLU 437 N -0.45 0.63 0.00 1.25 5.08 -1.01 -0.26 114.58 119.82 3hs0 h GLU 437 Ca -0.00 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3hs0 h GLU 437 Cb 0.42 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 3hs0 h GLU 437 CO 0.01 0.41 -0.07 -0.44 -1.00 0.00 0.00 179.01 177.93 3hs0 h ASP 438 N 0.65 0.00 0.53 1.42 3.32 -0.89 -0.84 116.42 120.60 3hs0 h ASP 438 Ca 0.62 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.64 3hs0 h ASP 438 Cb 1.11 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.67 3hs0 h ASP 438 CO -0.44 0.07 -0.25 0.58 -1.72 0.00 0.00 179.24 177.48 3hs0 h VAL 439 N 0.00 0.37 0.00 -1.35 2.07 -0.72 -2.74 116.25 113.88 3hs0 h VAL 439 Ca -0.00 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.08 3hs0 h VAL 439 Cb 0.25 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3hs0 h VAL 439 CO 0.01 0.05 -0.44 -0.26 0.02 0.00 0.00 177.57 176.95 3hs0 h PHE 440 N -0.96 0.00 -0.38 1.57 0.04 -1.53 -1.91 116.94 113.77 3hs0 h PHE 440 Ca -0.07 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.66 3hs0 h PHE 440 Cb 0.62 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.75 3hs0 h PHE 440 CO 0.00 0.44 0.08 1.88 -0.60 0.00 0.00 178.31 180.11 3hs0 h TYR 441 N 0.00 0.58 0.01 -0.55 0.05 -1.22 -2.84 116.97 112.99 3hs0 h TYR 441 Ca -0.00 -0.04 -0.22 0.00 0.05 0.00 0.00 58.73 58.51 3hs0 h TYR 441 Cb 1.04 -0.17 -0.03 0.00 1.01 0.00 0.00 36.73 38.58 3hs0 h TYR 441 CO 0.00 0.51 -1.10 0.37 -1.05 0.00 0.00 178.16 176.88 3hs0 h GLN 442 N 0.56 0.02 -0.55 4.88 4.15 -1.05 -3.06 115.11 120.05 3hs0 h GLN 442 Ca 0.13 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.56 3hs0 h GLN 442 Cb 0.23 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 3hs0 h GLN 442 CO -0.00 0.95 0.31 0.52 -1.93 0.00 0.00 178.83 178.68 3hs0 h MET 443 N 0.00 0.58 0.00 1.69 2.86 -1.23 -0.90 114.93 117.94 3hs0 h MET 443 Ca -0.05 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 3hs0 h MET 443 Cb 1.81 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.34 3hs0 h MET 443 CO 0.13 0.39 -0.05 0.82 1.06 0.00 0.00 176.91 179.26 3hs0 h ILE 444 N 0.60 0.16 0.00 -1.22 2.04 -1.53 -2.85 117.51 114.71 3hs0 h ILE 444 Ca 0.24 -0.51 -0.16 0.00 1.00 0.00 0.00 64.86 65.43 3hs0 h ILE 444 Cb 0.10 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 3hs0 h ILE 444 CO -0.14 0.05 -0.86 0.44 0.00 0.00 0.00 178.15 177.64 3hs0 h ASP 445 N 0.00 0.00 0.55 1.72 3.32 -1.08 -3.20 116.42 117.74 3hs0 h ASP 445 Ca -0.00 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3hs0 h ASP 445 Cb 0.43 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3hs0 h ASP 445 CO 0.01 0.74 -0.21 -0.08 -1.72 0.00 0.00 179.24 177.98 3hs0 h GLU 446 N 0.00 0.00 0.18 3.56 4.81 -1.14 -3.19 114.58 118.80 3hs0 h GLU 446 Ca -0.04 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3hs0 h GLU 446 Cb 1.60 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.98 3hs0 h GLU 446 CO 0.09 0.21 -0.08 0.77 -0.73 0.00 0.00 179.01 179.27 3hs0 h SER 447 N 0.00 -0.20 -2.59 1.04 0.02 -1.62 -3.47 113.55 106.73 3hs0 h SER 447 Ca -0.00 0.01 -0.57 0.00 -0.84 0.00 0.00 61.79 60.39 3hs0 h SER 447 Cb 0.54 0.05 0.20 0.00 0.14 0.00 0.00 62.40 63.33 3hs0 h SER 447 CO 0.03 -0.12 -0.97 0.00 -1.14 0.00 0.00 176.83 174.63 3hs0 n GLN 448 N -2.78 0.11 -0.52 3.45 6.02 -1.21 -4.92 117.38 117.54 3hs0 n GLN 448 Ca -0.03 0.06 -0.29 0.00 -0.01 0.00 0.00 57.00 56.73 3hs0 n GLN 448 Cb 0.09 -1.40 0.22 0.00 1.02 0.00 0.00 30.24 30.18 3hs0 n GLN 448 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3hs0 n SER 449 N 1.34 -2.56 0.04 1.08 3.41 -1.26 -4.89 113.62 110.78 3hs0 n SER 449 Ca 0.06 -0.30 0.13 0.00 -0.26 0.00 0.00 58.87 58.50 3hs0 n SER 449 Cb 0.51 -1.03 0.52 0.00 -0.26 0.00 0.00 64.21 63.94 3hs0 n SER 449 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hs0 n LEU 450 N -3.37 0.27 0.00 1.04 4.77 -1.26 -3.07 117.00 115.38 3hs0 n LEU 450 Ca 0.03 0.53 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 3hs0 n LEU 450 Cb 0.56 -0.45 0.61 0.00 -2.33 0.00 0.00 43.42 41.81 3hs0 n LEU 450 CO 0.49 -0.11 0.82 -1.54 -1.33 0.00 0.00 177.39 175.72 3hs0 n SER 451 N -1.76 0.00 -4.67 -1.43 3.41 -1.26 -4.56 113.62 103.36 3hs0 n SER 451 Ca 0.06 -0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 57.70 3hs0 n SER 451 Cb 0.34 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.21 3hs0 n SER 451 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3hs0 s LEU 452 N -2.11 4.27 0.43 1.04 2.96 -1.17 -4.87 118.68 119.24 3hs0 s LEU 452 Ca 0.29 2.03 -0.20 0.00 -0.22 0.00 0.00 54.13 56.04 3hs0 s LEU 452 Cb 0.14 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 43.19 3hs0 s LEU 452 CO 0.26 -0.83 0.93 0.00 -1.32 0.00 0.00 176.35 175.39 3hs0 n GLY 454 N -0.77 -0.42 3.37 0.00 0.00 -0.87 -4.65 105.19 101.85 3hs0 n GLY 454 Ca 0.07 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3hs0 n GLY 454 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hs0 s MET 455 N -5.25 3.20 -0.06 1.61 0.00 -1.26 -0.63 119.30 116.91 3hs0 s MET 455 Ca 0.12 -0.71 -0.02 0.00 0.00 0.00 0.00 55.69 55.08 3hs0 s MET 455 Cb -0.05 -2.56 0.04 0.00 0.00 0.00 0.00 34.83 32.26 3hs0 s MET 455 CO 0.15 0.28 0.12 0.08 0.00 0.00 0.00 175.02 175.66 3hs0 s VAL 456 N 0.16 -0.10 -0.38 10.11 1.01 -1.26 -4.97 120.40 124.96 3hs0 s VAL 456 Ca -0.08 0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.05 3hs0 s VAL 456 Cb -0.15 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 36.06 3hs0 s VAL 456 CO 0.05 0.10 0.21 0.86 0.00 0.00 0.00 175.10 176.32 3hs0 s TRP 457 N 1.47 3.28 -0.20 5.22 -0.11 -1.26 -5.06 118.94 122.28 3hs0 s TRP 457 Ca -0.05 -1.25 -0.29 0.00 1.22 0.00 0.00 56.10 55.72 3hs0 s TRP 457 Cb -0.12 -2.60 0.00 0.00 -1.50 0.00 0.00 33.47 29.25 3hs0 s TRP 457 CO -0.05 -0.74 1.11 -1.21 -4.62 0.00 0.00 176.95 171.44 3hs0 s GLU 458 N 1.48 4.26 0.00 5.86 0.41 -1.26 -5.00 118.70 124.46 3hs0 s GLU 458 Ca 0.02 1.46 0.00 0.00 -0.41 0.00 0.00 54.97 56.04 3hs0 s GLU 458 Cb -0.21 -3.67 0.00 0.00 -1.78 0.00 0.00 34.13 28.47 3hs0 s GLU 458 CO 0.04 -0.63 0.00 0.72 -0.49 0.00 0.00 175.26 174.90 3hs0 n HIS 459 N 6.30 0.00 -3.08 1.61 8.25 -1.26 -4.91 115.22 122.13 3hs0 n HIS 459 Ca 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 3hs0 n HIS 459 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 3hs0 n HIS 459 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hs0 n GLY 462 N 3.96 -1.32 3.68 -1.41 0.00 -1.26 -5.21 105.19 103.64 3hs0 n GLY 462 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 3hs0 n GLY 462 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hs0 s THR 463 N -2.93 0.00 0.00 2.61 2.01 -1.26 -5.05 115.64 111.02 3hs0 s THR 463 Ca 0.00 -0.50 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 3hs0 s THR 463 Cb 0.00 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.82 3hs0 s THR 463 CO 0.00 0.00 0.91 -0.78 -0.69 0.00 0.00 174.62 174.06 3hs0 h ASP 464 N 2.00 -0.07 0.67 3.53 1.82 -2.01 -3.22 116.42 119.14 3hs0 h ASP 464 Ca -0.24 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.41 3hs0 h ASP 464 Cb 1.24 0.02 0.00 0.00 0.68 0.00 0.00 39.33 41.27 3hs0 h ASP 464 CO 0.27 -0.05 0.00 1.88 -1.61 0.00 0.00 179.24 179.74 3hs0 h TYR 465 N -0.09 0.00 -1.00 0.28 0.05 -1.90 -2.00 116.97 112.32 3hs0 h TYR 465 Ca -0.01 0.00 0.19 0.00 0.05 0.00 0.00 58.73 58.96 3hs0 h TYR 465 Cb 0.06 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 37.70 3hs0 h TYR 465 CO 0.19 0.00 0.61 0.45 -1.05 0.00 0.00 178.16 178.36 3hs0 h HIS 466 N 0.00 1.02 0.00 4.88 3.86 -1.77 -2.05 115.15 121.09 3hs0 h HIS 466 Ca 0.00 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3hs0 h HIS 466 Cb 0.34 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3hs0 h HIS 466 CO 0.00 0.24 -0.13 0.87 0.86 0.00 0.00 177.93 179.77 3hs0 h LYS 467 N 0.74 0.00 -1.88 2.45 1.57 -1.40 -3.37 116.57 114.68 3hs0 h LYS 467 Ca 0.57 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.81 3hs0 h LYS 467 Cb 0.92 0.00 -0.37 0.00 0.08 0.00 0.00 32.23 32.86 3hs0 h LYS 467 CO -0.35 0.00 -1.03 1.04 -0.57 0.00 0.00 179.45 178.53 3hs0 n GLN 468 N -2.68 0.64 0.28 3.15 3.00 -0.81 -5.00 117.38 115.95 3hs0 n GLN 468 Ca 0.04 -3.08 0.13 0.00 -0.01 0.00 0.00 57.00 54.09 3hs0 n GLN 468 Cb 0.49 -1.30 0.83 0.00 0.00 0.00 0.00 30.24 30.26 3hs0 n GLN 468 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 3hs0 h PRO 469 N 4.25 0.00 -0.00 -1.09 0.13 -1.61 -2.68 132.00 131.00 3hs0 h PRO 469 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3hs0 h PRO 469 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3hs0 h PRO 469 CO 0.43 0.03 -0.08 -2.67 -0.23 0.00 0.00 178.00 175.48 3hs0 n TRP 470 N -3.94 0.00 -2.48 1.56 2.14 -1.22 -3.44 117.44 110.05 3hs0 n TRP 470 Ca -0.03 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.12 3hs0 n TRP 470 Cb 0.11 -0.26 -0.03 0.00 -0.81 0.00 0.00 31.31 30.32 3hs0 n TRP 470 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 3hs0 s GLN 471 N -2.61 4.48 -0.06 -2.67 2.00 -1.01 -0.89 119.66 118.90 3hs0 s GLN 471 Ca 0.26 1.71 0.01 0.00 -2.00 0.00 0.00 55.36 55.34 3hs0 s GLN 471 Cb 0.20 -3.35 0.02 0.00 0.80 0.00 0.00 33.01 30.68 3hs0 s GLN 471 CO 0.49 -0.16 -0.08 0.00 -0.50 0.00 0.00 175.29 175.04 3hs0 s ALA 472 N 0.78 1.01 -0.42 1.58 0.00 0.88 -4.24 121.76 121.35 3hs0 s ALA 472 Ca 0.56 -0.27 -0.20 0.00 0.00 0.00 0.00 51.96 52.04 3hs0 s ALA 472 Cb -0.28 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.29 3hs0 s ALA 472 CO 0.30 -0.04 0.60 0.15 0.00 0.00 0.00 175.76 176.78 3hs0 s LYS 473 N 0.97 3.34 0.44 0.00 1.02 0.34 -0.31 119.74 125.53 3hs0 s LYS 473 Ca -0.10 -0.35 -0.07 0.00 0.02 0.00 0.00 55.97 55.47 3hs0 s LYS 473 Cb -0.15 -3.92 -0.05 0.00 -0.52 0.00 0.00 37.83 33.20 3hs0 s LYS 473 CO 0.00 -0.92 0.76 0.42 -0.92 0.00 0.00 175.35 174.69 3hs0 s ILE 474 N 2.68 4.88 -0.03 2.17 1.01 -1.03 -1.79 121.20 129.09 3hs0 s ILE 474 Ca 0.21 0.32 -0.10 0.00 0.00 0.00 0.00 60.65 61.08 3hs0 s ILE 474 Cb -0.15 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.52 3hs0 s ILE 474 CO 0.17 -0.70 0.22 -0.44 0.00 0.00 0.00 174.94 174.18 3hs0 s SER 475 N -3.73 -0.11 0.07 3.58 0.01 -0.50 -2.35 113.70 110.66 3hs0 s SER 475 Ca 0.48 0.07 0.06 0.00 1.31 0.00 0.00 55.95 57.87 3hs0 s SER 475 Cb -0.10 0.31 -0.03 0.00 0.21 0.00 0.00 66.02 66.41 3hs0 s SER 475 CO 0.39 -0.31 -0.15 -0.69 0.41 0.00 0.00 173.24 172.89 3hs0 s VAL 476 N -0.95 1.22 -0.28 3.43 1.01 -1.26 -2.89 120.40 120.68 3hs0 s VAL 476 Ca -0.10 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.56 3hs0 s VAL 476 Cb -0.05 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.20 3hs0 s VAL 476 CO 0.02 -0.14 0.04 -0.63 0.00 0.00 0.00 175.10 174.40 3hs0 s ILE 477 N -1.14 3.66 -0.34 2.22 -1.09 -1.26 -4.80 121.20 118.44 3hs0 s ILE 477 Ca 0.00 -0.80 -0.00 0.00 -2.23 0.00 0.00 60.65 57.62 3hs0 s ILE 477 Cb -0.09 -2.89 0.13 0.00 -1.58 0.00 0.00 42.46 38.03 3hs0 s ILE 477 CO 0.02 0.10 0.22 -0.13 -1.23 0.00 0.00 174.94 173.92 3hs0 s ARG 478 N 1.45 0.48 0.00 2.79 0.52 -1.26 -5.01 118.95 117.92 3hs0 s ARG 478 Ca 0.02 -1.10 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 3hs0 s ARG 478 Cb -0.17 -1.19 0.00 0.00 0.52 0.00 0.00 34.95 34.11 3hs0 s ARG 478 CO 0.01 -1.17 0.18 -0.35 0.02 0.00 0.00 175.30 173.98 3hs0 n PRO 479 N 4.32 0.00 -3.66 3.54 -0.04 -1.26 -5.33 135.00 132.57 3hs0 n PRO 479 Ca 0.08 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.48 3hs0 n PRO 479 Cb 0.39 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 3hs0 n PRO 479 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hs0 s SER 485 N 1.84 -0.81 0.00 3.54 1.04 -1.26 -5.36 113.70 112.69 3hs0 s SER 485 Ca 0.00 1.33 0.00 0.00 0.48 0.00 0.00 55.95 57.76 3hs0 s SER 485 Cb 0.00 1.57 0.00 0.00 0.10 0.00 0.00 66.02 67.69 3hs0 s SER 485 CO 0.00 -0.22 0.00 0.00 0.98 0.00 0.00 173.24 174.00 3hs0 s MET 487 N -1.99 1.43 0.07 0.00 -1.94 -0.55 -2.46 119.30 113.85 3hs0 s MET 487 Ca 0.00 -1.74 -0.27 0.00 -1.71 0.00 0.00 55.69 51.98 3hs0 s MET 487 Cb 0.00 -0.74 0.08 0.00 2.01 0.00 0.00 34.83 36.18 3hs0 s MET 487 CO 0.00 -0.09 0.89 0.20 -0.01 0.00 0.00 175.02 176.00 3hs0 s GLY 488 N -3.36 -0.39 -0.10 -0.03 0.00 0.57 -3.78 107.32 100.24 3hs0 s GLY 488 Ca 0.30 0.62 0.03 0.00 0.00 0.00 0.00 44.72 45.67 3hs0 s GLY 488 CO 0.10 0.19 -0.20 0.00 0.00 0.00 0.00 173.10 173.19 3hs0 s ALA 489 N -3.25 1.92 -0.01 3.20 0.00 0.08 -0.09 121.76 123.61 3hs0 s ALA 489 Ca 0.07 -0.83 -0.30 0.00 0.00 0.00 0.00 51.96 50.90 3hs0 s ALA 489 Cb -0.01 -0.78 -0.06 0.00 0.00 0.00 0.00 23.12 22.27 3hs0 s ALA 489 CO -0.05 0.18 1.64 0.08 0.00 0.00 0.00 175.76 177.60 3hs0 s VAL 490 N 0.53 3.42 -0.67 0.00 1.01 -0.07 -0.35 120.40 124.27 3hs0 s VAL 490 Ca -0.15 0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.57 3hs0 s VAL 490 Cb -0.17 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3hs0 s VAL 490 CO 0.05 -0.04 0.51 1.33 0.00 0.00 0.00 175.10 176.96 3hs0 n VAL 491 N 5.17 0.00 -2.01 2.92 0.24 -1.04 -1.65 118.33 121.95 3hs0 n VAL 491 Ca 0.16 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 62.08 3hs0 n VAL 491 Cb 0.42 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.87 3hs0 n VAL 491 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hs0 n SER 492 N -0.52 0.00 0.05 -1.34 3.41 -1.21 -4.75 113.62 109.26 3hs0 n SER 492 Ca 0.03 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.75 3hs0 n SER 492 Cb 0.16 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.12 3hs0 n SER 492 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hs0 n GLU 493 N 0.00 0.43 -0.03 4.33 1.02 -1.26 -4.46 120.64 120.67 3hs0 n GLU 493 Ca 0.00 0.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.13 3hs0 n GLU 493 Cb 0.00 -1.66 -0.04 0.00 -0.02 0.00 0.00 31.44 29.71 3hs0 n GLU 493 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hs0 n TYR 494 N -2.23 0.00 -4.24 -0.32 4.01 -1.26 -1.70 117.16 111.42 3hs0 n TYR 494 Ca 0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.45 3hs0 n TYR 494 Cb 0.49 -0.27 -0.10 0.00 -0.31 0.00 0.00 39.34 39.15 3hs0 n TYR 494 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3hs0 s PHE 495 N -2.13 2.70 -0.11 -0.72 0.08 -1.26 0.18 117.98 116.72 3hs0 s PHE 495 Ca -0.04 -0.18 -0.00 0.00 0.12 0.00 0.00 56.93 56.83 3hs0 s PHE 495 Cb 0.02 -1.41 0.02 0.00 -0.57 0.00 0.00 43.02 41.08 3hs0 s PHE 495 CO 0.21 0.43 -0.07 0.08 -0.10 0.00 0.00 175.22 175.77 3hs0 s VAL 496 N -1.24 0.95 0.11 -0.44 1.01 -0.68 -2.50 120.40 117.61 3hs0 s VAL 496 Ca 0.21 -0.24 -0.26 0.00 0.00 0.00 0.00 61.98 61.68 3hs0 s VAL 496 Cb -0.11 -0.98 -0.06 0.00 0.00 0.00 0.00 36.38 35.23 3hs0 s VAL 496 CO 0.13 0.35 0.82 -0.22 0.00 0.00 0.00 175.10 176.19 3hs0 s LEU 497 N 1.70 4.52 0.00 3.92 2.96 0.53 -2.06 118.68 130.24 3hs0 s LEU 497 Ca 0.04 1.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.56 3hs0 s LEU 497 Cb -0.13 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.21 3hs0 s LEU 497 CO -0.07 0.06 0.00 1.07 -1.32 0.00 0.00 176.35 176.09 3hs0 n THR 498 N 2.37 0.00 -4.33 3.68 5.66 -0.95 -0.74 114.28 119.96 3hs0 n THR 498 Ca -0.02 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.63 3hs0 n THR 498 Cb 0.49 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.17 3hs0 n THR 498 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hs0 s ALA 499 N -1.01 3.25 0.13 1.79 0.00 -1.26 -1.83 121.76 122.82 3hs0 s ALA 499 Ca 0.00 -0.80 -0.20 0.00 0.00 0.00 0.00 51.96 50.96 3hs0 s ALA 499 Cb 0.00 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 3hs0 s ALA 499 CO 0.00 0.46 1.70 0.00 0.00 0.00 0.00 175.76 177.93 3hs0 h ALA 500 N 5.65 0.11 -0.06 0.00 0.00 -1.78 -3.21 119.26 119.97 3hs0 h ALA 500 Ca -0.45 0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.55 3hs0 h ALA 500 Cb 1.19 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3hs0 h ALA 500 CO 0.58 -0.49 0.48 1.12 0.00 0.00 0.00 179.25 180.94 3hs0 h HIS 501 N -0.02 0.00 -0.37 0.00 2.07 -1.96 -1.37 115.15 113.51 3hs0 h HIS 501 Ca 0.09 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.60 3hs0 h HIS 501 Cb 0.16 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.13 3hs0 h HIS 501 CO -0.22 0.00 0.02 0.00 -3.07 0.00 0.00 177.93 174.66 3hs0 n PHE 503 N 0.34 -0.14 0.02 0.00 3.72 -0.52 -4.92 117.46 115.96 3hs0 n PHE 503 Ca 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 3hs0 n PHE 503 Cb 0.86 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 3hs0 n PHE 503 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3hs0 n THR 504 N -0.05 0.22 0.00 4.37 -2.24 -1.26 -5.01 114.28 110.31 3hs0 n THR 504 Ca 0.00 0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3hs0 n THR 504 Cb 0.00 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 3hs0 n THR 504 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 3hs0 n VAL 505 N -3.04 0.00 0.00 2.28 3.14 -1.26 -5.16 118.33 114.29 3hs0 n VAL 505 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3hs0 n VAL 505 Cb 0.32 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.10 3hs0 n VAL 505 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3hs0 n ASP 506 N 0.00 0.00 0.00 6.55 9.92 -1.26 -5.27 116.55 126.49 3hs0 n ASP 506 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3hs0 n ASP 506 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3hs0 n ASP 506 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 3hs0 n HIS 510 N 14.00 0.00 0.56 1.24 8.25 -1.26 -5.32 115.22 132.68 3hs0 n HIS 510 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3hs0 n HIS 510 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3hs0 n HIS 510 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hs0 n SER 511 N 0.00 0.16 -4.01 0.41 7.64 -1.26 -4.71 113.62 111.84 3hs0 n SER 511 Ca 0.00 -0.71 -0.09 0.00 1.01 0.00 0.00 58.87 59.07 3hs0 n SER 511 Cb 0.00 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 3hs0 n SER 511 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hs0 s ILE 512 N -1.56 0.09 -0.28 0.44 1.01 -1.26 -4.04 121.20 115.60 3hs0 s ILE 512 Ca 0.00 -1.54 -0.24 0.00 0.00 0.00 0.00 60.65 58.87 3hs0 s ILE 512 Cb 0.00 -1.82 0.10 0.00 0.01 0.00 0.00 42.46 40.75 3hs0 s ILE 512 CO 0.00 -0.43 0.91 -1.59 0.00 0.00 0.00 174.94 173.83 3hs0 s LYS 513 N -3.98 0.61 0.13 2.79 -2.85 -1.14 -4.92 119.74 110.38 3hs0 s LYS 513 Ca 0.17 0.77 0.10 0.00 -1.00 0.00 0.00 55.97 56.01 3hs0 s LYS 513 Cb 0.05 0.28 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 3hs0 s LYS 513 CO -0.01 -0.08 -0.25 0.08 0.10 0.00 0.00 175.35 175.19 3hs0 s VAL 514 N 0.44 2.10 -0.06 1.79 1.01 -1.24 -1.41 120.40 123.03 3hs0 s VAL 514 Ca 0.01 -1.72 -0.04 0.00 0.00 0.00 0.00 61.98 60.22 3hs0 s VAL 514 Cb -0.05 -1.88 0.02 0.00 0.00 0.00 0.00 36.38 34.47 3hs0 s VAL 514 CO -0.05 0.03 0.14 -0.55 0.00 0.00 0.00 175.10 174.66 3hs0 s SER 515 N -2.07 -0.14 0.40 3.32 0.15 -0.74 -0.90 113.70 113.72 3hs0 s SER 515 Ca 0.12 0.29 0.05 0.00 0.70 0.00 0.00 55.95 57.11 3hs0 s SER 515 Cb -0.10 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.46 3hs0 s SER 515 CO 0.06 -0.07 0.19 0.68 1.20 0.00 0.00 173.24 175.30 3hs0 s VAL 516 N 0.27 0.34 0.00 4.45 -7.23 -1.26 -0.51 120.40 116.46 3hs0 s VAL 516 Ca -0.02 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 3hs0 s VAL 516 Cb -0.03 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.56 3hs0 s VAL 516 CO -0.01 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.39 3hs0 n GLY 517 N -0.85 0.12 1.86 2.32 0.00 -1.26 -1.86 105.19 105.52 3hs0 n GLY 517 Ca -0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 3hs0 n GLY 517 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs0 n GLY 518 N -2.00 0.70 3.56 -0.02 0.00 -1.26 -4.88 105.19 101.29 3hs0 n GLY 518 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 3hs0 n GLY 518 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hs0 s GLU 519 N -5.22 2.03 0.10 1.61 2.02 -0.78 -5.05 118.70 113.41 3hs0 s GLU 519 Ca 0.10 -1.20 -0.31 0.00 0.02 0.00 0.00 54.97 53.58 3hs0 s GLU 519 Cb -0.04 -2.18 -0.12 0.00 0.10 0.00 0.00 34.13 31.88 3hs0 s GLU 519 CO 0.12 0.46 1.61 -0.22 0.02 0.00 0.00 175.26 177.25 3hs0 h LYS 520 N 3.19 -0.69 -5.50 1.61 3.64 -1.97 -3.43 116.57 113.41 3hs0 h LYS 520 Ca -0.48 0.05 -0.78 0.00 -1.27 0.00 0.00 60.65 58.17 3hs0 h LYS 520 Cb 1.19 0.16 0.02 0.00 -0.41 0.00 0.00 32.23 33.19 3hs0 h LYS 520 CO 0.52 -0.46 0.44 -2.13 -2.27 0.00 0.00 179.45 175.55 3hs0 n ARG 521 N -5.46 0.00 -3.47 1.90 0.63 -1.26 -4.92 116.66 104.07 3hs0 n ARG 521 Ca -0.09 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.41 3hs0 n ARG 521 Cb 0.37 -1.38 -0.07 0.00 0.45 0.00 0.00 32.46 31.83 3hs0 n ARG 521 CO 0.00 0.00 0.00 0.16 -2.51 0.00 0.00 177.63 175.28 3hs0 s ASP 522 N 1.82 5.89 0.35 6.15 -4.77 -1.26 -4.56 116.67 120.29 3hs0 s ASP 522 Ca 0.92 -1.79 -0.28 0.00 -3.30 0.00 0.00 52.55 48.10 3hs0 s ASP 522 Cb -1.30 -2.09 -0.12 0.00 -1.09 0.00 0.00 42.92 38.32 3hs0 s ASP 522 CO 0.67 -0.73 1.27 0.18 0.70 0.00 0.00 175.17 177.26 3hs0 n LEU 523 N 5.04 3.49 -4.79 2.11 4.77 -0.08 -4.68 117.00 122.86 3hs0 n LEU 523 Ca -0.10 1.19 -0.31 0.00 -0.03 0.00 0.00 56.01 56.76 3hs0 n LEU 523 Cb 0.41 -1.47 0.08 0.00 -2.33 0.00 0.00 43.42 40.10 3hs0 n LEU 523 CO 0.46 -0.58 0.70 -0.70 -1.33 0.00 0.00 177.39 175.95 3hs0 s GLU 524 N -1.91 2.43 0.05 3.23 2.12 -1.26 -3.67 118.70 119.69 3hs0 s GLU 524 Ca 0.56 0.95 0.09 0.00 0.36 0.00 0.00 54.97 56.94 3hs0 s GLU 524 Cb -0.57 -1.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.86 3hs0 s GLU 524 CO 0.62 -1.46 -0.26 0.42 -0.54 0.00 0.00 175.26 174.03 3hs0 s ILE 525 N -3.01 2.14 -0.02 -3.70 1.01 -1.26 -1.47 121.20 114.89 3hs0 s ILE 525 Ca 0.60 -1.41 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 3hs0 s ILE 525 Cb -0.15 -1.84 -0.01 0.00 0.01 0.00 0.00 42.46 40.47 3hs0 s ILE 525 CO 0.55 0.35 0.15 -0.08 0.00 0.00 0.00 174.94 175.91 3hs0 h GLU 526 N 4.74 -0.04 -3.80 2.79 4.81 -0.91 -3.42 114.58 118.75 3hs0 h GLU 526 Ca -0.47 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.56 3hs0 h GLU 526 Cb 1.14 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.48 3hs0 h GLU 526 CO 0.43 -0.03 -0.06 0.54 -0.73 0.00 0.00 179.01 179.17 3hs0 s VAL 527 N -1.46 0.00 -0.09 0.32 0.11 -1.23 -5.03 120.40 113.02 3hs0 s VAL 527 Ca -0.01 -1.42 0.02 0.00 -2.93 0.00 0.00 61.98 57.64 3hs0 s VAL 527 Cb 0.00 -2.70 0.01 0.00 -1.53 0.00 0.00 36.38 32.16 3hs0 s VAL 527 CO 0.02 0.00 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.97 3hs0 s VAL 528 N -2.85 1.26 -0.30 2.04 1.01 -1.26 -2.58 120.40 117.72 3hs0 s VAL 528 Ca 0.26 -0.52 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 3hs0 s VAL 528 Cb -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.21 3hs0 s VAL 528 CO 0.18 0.39 0.11 -0.76 0.00 0.00 0.00 175.10 175.01 3hs0 s LEU 529 N 0.91 3.95 0.54 3.92 1.43 -0.81 -4.96 118.68 123.66 3hs0 s LEU 529 Ca -0.09 -0.65 -0.04 0.00 -1.03 0.00 0.00 54.13 52.31 3hs0 s LEU 529 Cb -0.15 -1.92 -0.00 0.00 0.03 0.00 0.00 46.19 44.14 3hs0 s LEU 529 CO 0.01 -0.20 0.83 -0.36 0.23 0.00 0.00 176.35 176.86 3hs0 s PHE 530 N 1.54 3.30 0.50 0.29 0.08 -1.26 -1.05 117.98 121.38 3hs0 s PHE 530 Ca 0.03 0.58 -0.21 0.00 0.12 0.00 0.00 56.93 57.45 3hs0 s PHE 530 Cb -0.17 -2.57 -0.06 0.00 -0.57 0.00 0.00 43.02 39.64 3hs0 s PHE 530 CO 0.04 -0.63 1.16 -1.58 -0.10 0.00 0.00 175.22 174.10 3hs0 s HIS 531 N -2.85 2.75 0.11 0.36 2.46 -1.06 -4.96 115.29 112.09 3hs0 s HIS 531 Ca 0.52 1.53 -0.16 0.00 0.47 0.00 0.00 55.06 57.42 3hs0 s HIS 531 Cb -0.10 -3.35 -0.04 0.00 -0.13 0.00 0.00 32.58 28.95 3hs0 s HIS 531 CO 0.43 -1.60 1.56 -1.00 -2.47 0.00 0.00 174.74 171.67 3hs0 h PRO 532 N 1.60 0.60 0.00 2.88 0.13 -1.94 -2.96 132.00 132.31 3hs0 h PRO 532 Ca -0.50 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.45 3hs0 h PRO 532 Cb 1.26 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3hs0 h PRO 532 CO 0.58 0.70 0.00 0.09 -0.23 0.00 0.00 178.00 179.15 3hs0 n ASN 533 N -4.53 0.00 -4.81 1.44 4.13 -1.26 -4.83 115.26 105.39 3hs0 n ASN 533 Ca -0.02 -1.57 -0.37 0.00 1.68 0.00 0.00 54.58 54.31 3hs0 n ASN 533 Cb 0.26 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.44 3hs0 n ASN 533 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3hs0 s TYR 534 N -2.00 3.68 -0.29 3.10 5.04 -1.12 -4.79 117.35 120.96 3hs0 s TYR 534 Ca 0.00 1.39 0.02 0.00 -2.44 0.00 0.00 57.07 56.04 3hs0 s TYR 534 Cb 0.00 -2.61 0.20 0.00 0.35 0.00 0.00 41.96 39.89 3hs0 s TYR 534 CO 0.00 0.37 0.68 1.21 -1.34 0.00 0.00 175.55 176.47 3hs0 s ASN 535 N -1.57 -1.39 0.39 4.32 3.84 -1.26 -4.99 114.94 114.27 3hs0 s ASN 535 Ca 0.41 0.24 0.20 0.00 0.21 0.00 0.00 52.86 53.92 3hs0 s ASN 535 Cb -0.17 1.91 1.07 0.00 -0.55 0.00 0.00 41.25 43.51 3hs0 s ASN 535 CO 0.21 -0.25 1.55 -0.29 -2.79 0.00 0.00 177.10 175.53 3hs0 h ILE 536 N 5.74 0.00 0.00 -5.21 6.09 -1.94 -3.39 117.51 118.81 3hs0 h ILE 536 Ca -0.05 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.44 3hs0 h ILE 536 Cb 1.18 0.44 0.00 0.00 0.47 0.00 0.00 36.82 38.91 3hs0 h ILE 536 CO 0.12 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.79 3hs0 n ASN 537 N -2.29 0.00 -2.69 2.19 3.02 -1.26 -3.53 115.26 110.71 3hs0 n ASN 537 Ca -0.01 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.41 3hs0 n ASN 537 Cb 0.24 0.00 0.06 0.00 -0.61 0.00 0.00 39.78 39.47 3hs0 n ASN 537 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hs0 n GLY 538 N 5.00 -0.11 0.00 7.41 0.00 -1.26 -4.23 105.19 112.00 3hs0 n GLY 538 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3hs0 n GLY 538 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hs0 n LYS 539 N -3.26 0.00 -0.24 1.61 5.02 -1.26 -5.00 118.16 115.03 3hs0 n LYS 539 Ca -0.16 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.20 3hs0 n LYS 539 Cb 0.60 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.94 3hs0 n LYS 539 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3hs0 h LYS 540 N 0.00 0.78 -0.35 1.97 3.64 -1.80 0.10 116.57 120.92 3hs0 h LYS 540 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hs0 h LYS 540 Cb 0.00 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.64 3hs0 h LYS 540 CO 0.00 0.52 0.00 -0.85 -2.27 0.00 0.00 179.45 176.85 3hs0 n GLU 541 N -4.50 1.31 -1.28 1.90 0.28 -1.26 -2.83 120.64 114.25 3hs0 n GLU 541 Ca 0.13 -0.37 -0.15 0.00 -0.16 0.00 0.00 57.16 56.62 3hs0 n GLU 541 Cb 0.29 -1.23 0.12 0.00 1.43 0.00 0.00 31.44 32.05 3hs0 n GLU 541 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hs0 n ALA 542 N -0.13 4.80 -0.91 -1.84 0.00 0.34 -4.91 120.51 117.86 3hs0 n ALA 542 Ca 0.03 -3.43 0.00 0.00 0.00 0.00 0.00 53.44 50.04 3hs0 n ALA 542 Cb 0.17 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.91 3hs0 n ALA 542 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hs0 n GLY 543 N -0.96 0.74 3.22 0.00 0.00 -1.13 -4.97 105.19 102.09 3hs0 n GLY 543 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 3hs0 n GLY 543 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hs0 s ILE 544 N -3.17 4.36 0.17 -0.61 1.01 -1.21 -4.85 121.20 116.91 3hs0 s ILE 544 Ca 0.00 -1.96 -0.14 0.00 0.00 0.00 0.00 60.65 58.55 3hs0 s ILE 544 Cb 0.00 -3.84 0.07 0.00 0.01 0.00 0.00 42.46 38.69 3hs0 s ILE 544 CO 0.00 -0.82 1.77 -0.65 0.00 0.00 0.00 174.94 175.24 3hs0 h PRO 545 N 8.27 0.41 -3.93 2.79 0.11 -1.87 -3.08 132.00 134.69 3hs0 h PRO 545 Ca -0.17 -0.02 -0.40 0.00 0.11 0.00 0.00 66.00 65.52 3hs0 h PRO 545 Cb 1.06 -0.09 -0.34 0.00 0.11 0.00 0.00 31.00 31.73 3hs0 h PRO 545 CO 0.85 0.27 -0.77 -1.21 -0.21 0.00 0.00 178.00 176.93 3hs0 s GLU 546 N -6.14 0.72 -0.52 1.05 2.02 -1.26 -4.62 118.70 109.95 3hs0 s GLU 546 Ca -0.13 -0.05 0.04 0.00 0.02 0.00 0.00 54.97 54.85 3hs0 s GLU 546 Cb 0.13 -0.81 0.13 0.00 0.10 0.00 0.00 34.13 33.69 3hs0 s GLU 546 CO 0.73 -0.12 0.27 0.12 0.02 0.00 0.00 175.26 176.28 3hs0 s PHE 547 N 1.08 3.14 -1.34 1.61 5.36 -1.23 -4.99 117.98 121.60 3hs0 s PHE 547 Ca -0.09 -3.15 0.00 0.00 -0.96 0.00 0.00 56.93 52.74 3hs0 s PHE 547 Cb -0.14 -2.77 0.00 0.00 -0.34 0.00 0.00 43.02 39.78 3hs0 s PHE 547 CO -0.01 -0.73 0.48 0.66 -1.46 0.00 0.00 175.22 174.16 3hs0 n TYR 548 N 3.07 0.00 -1.85 10.12 4.01 -1.26 -4.54 117.16 126.70 3hs0 n TYR 548 Ca 0.06 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.38 3hs0 n TYR 548 Cb 0.32 -0.05 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 3hs0 n TYR 548 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3hs0 s ASP 549 N -0.63 6.48 -1.14 7.72 -1.08 -1.26 -2.71 116.67 124.05 3hs0 s ASP 549 Ca 0.00 2.82 0.00 0.00 -0.52 0.00 0.00 52.55 54.85 3hs0 s ASP 549 Cb 0.00 -2.62 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 3hs0 s ASP 549 CO 0.00 -0.86 0.00 -1.22 0.52 0.00 0.00 175.17 173.61 3hs0 n TYR 550 N 2.78 -0.63 -1.71 -5.34 4.01 -1.26 -4.37 117.16 110.65 3hs0 n TYR 550 Ca 0.10 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.44 3hs0 n TYR 550 Cb 0.38 -2.89 -0.04 0.00 -0.31 0.00 0.00 39.34 36.49 3hs0 n TYR 550 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hs0 n ASP 551 N -0.53 3.34 -3.87 7.72 2.03 -1.10 -4.61 116.55 119.53 3hs0 n ASP 551 Ca -0.16 -2.76 -0.11 0.00 0.52 0.00 0.00 54.79 52.28 3hs0 n ASP 551 Cb 0.62 -1.48 -0.11 0.00 -0.72 0.00 0.00 41.12 39.43 3hs0 n ASP 551 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3hs0 s VAL 552 N 5.75 0.05 -0.09 5.18 -7.23 -1.26 -3.74 120.40 119.06 3hs0 s VAL 552 Ca 0.57 -0.41 -0.12 0.00 -1.81 0.00 0.00 61.98 60.21 3hs0 s VAL 552 Cb 0.09 -0.30 0.03 0.00 0.56 0.00 0.00 36.38 36.76 3hs0 s VAL 552 CO 0.07 -0.23 0.30 0.00 -0.31 0.00 0.00 175.10 174.93 3hs0 s ALA 553 N -0.75 -0.75 0.10 1.32 0.00 -0.76 -2.57 121.76 118.34 3hs0 s ALA 553 Ca -0.08 0.71 0.01 0.00 0.00 0.00 0.00 51.96 52.60 3hs0 s ALA 553 Cb -0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3hs0 s ALA 553 CO 0.01 -0.18 0.23 -0.51 0.00 0.00 0.00 175.76 175.31 3hs0 s LEU 554 N -0.24 4.30 -0.23 0.00 1.43 -0.21 -2.25 118.68 121.48 3hs0 s LEU 554 Ca -0.04 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3hs0 s LEU 554 Cb -0.03 -2.89 0.05 0.00 0.03 0.00 0.00 46.19 43.35 3hs0 s LEU 554 CO 0.01 0.12 -0.11 -0.63 0.23 0.00 0.00 176.35 175.97 3hs0 s ILE 555 N -1.60 1.90 -0.59 -0.59 1.01 -0.87 -1.93 121.20 118.53 3hs0 s ILE 555 Ca 0.34 -1.31 -0.21 0.00 0.00 0.00 0.00 60.65 59.47 3hs0 s ILE 555 Cb -0.12 -1.99 0.07 0.00 0.01 0.00 0.00 42.46 40.43 3hs0 s ILE 555 CO 0.28 0.08 0.81 -0.75 0.00 0.00 0.00 174.94 175.36 3hs0 s LYS 556 N 1.25 3.12 0.71 2.79 2.20 -1.06 -1.69 119.74 127.07 3hs0 s LYS 556 Ca -0.05 -0.92 -0.16 0.00 -0.36 0.00 0.00 55.97 54.49 3hs0 s LYS 556 Cb -0.18 -4.19 -0.02 0.00 -1.51 0.00 0.00 37.83 31.93 3hs0 s LYS 556 CO -0.07 -1.57 0.73 1.28 -0.36 0.00 0.00 175.35 175.36 3hs0 n LEU 557 N 6.94 2.06 -0.23 5.43 4.77 0.13 -0.40 117.00 135.70 3hs0 n LEU 557 Ca -0.05 0.64 -0.08 0.00 -0.03 0.00 0.00 56.01 56.49 3hs0 n LEU 557 Cb 0.45 -1.30 0.03 0.00 -2.33 0.00 0.00 43.42 40.27 3hs0 n LEU 557 CO 0.60 -2.61 0.94 0.50 -1.33 0.00 0.00 177.39 175.49 3hs0 h LYS 558 N -0.27 0.99 0.00 3.23 1.63 -1.51 -3.38 116.57 117.25 3hs0 h LYS 558 Ca -0.46 -0.22 -0.57 0.00 -0.85 0.00 0.00 60.65 58.55 3hs0 h LYS 558 Cb 1.35 -0.14 -0.05 0.00 -0.60 0.00 0.00 32.23 32.79 3hs0 h LYS 558 CO 0.45 0.88 -0.27 0.09 -3.45 0.00 0.00 179.45 177.15 3hs0 n ASN 559 N -4.35 2.74 -4.87 4.20 3.02 -1.26 -4.91 115.26 109.82 3hs0 n ASN 559 Ca 0.04 -2.86 -0.31 0.00 -0.03 0.00 0.00 54.58 51.41 3hs0 n ASN 559 Cb 0.22 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 39.31 3hs0 n ASN 559 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3hs0 s LYS 560 N -4.21 3.86 -0.22 3.52 1.02 -1.26 -4.72 119.74 117.73 3hs0 s LYS 560 Ca 0.30 0.50 -0.07 0.00 0.02 0.00 0.00 55.97 56.73 3hs0 s LYS 560 Cb -0.02 -2.44 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 3hs0 s LYS 560 CO 0.19 0.08 0.05 -0.51 -0.92 0.00 0.00 175.35 174.24 3hs0 s LEU 561 N -3.41 3.48 -0.19 3.17 1.43 -0.69 -5.04 118.68 117.43 3hs0 s LEU 561 Ca 0.52 -0.13 -0.25 0.00 -1.03 0.00 0.00 54.13 53.23 3hs0 s LEU 561 Cb -0.10 -1.91 -0.01 0.00 0.03 0.00 0.00 46.19 44.20 3hs0 s LEU 561 CO 0.25 0.05 0.84 -0.75 0.23 0.00 0.00 176.35 176.96 3hs0 s LYS 562 N 1.11 4.26 0.21 1.70 2.20 -1.26 -4.83 119.74 123.13 3hs0 s LYS 562 Ca 0.04 1.01 -0.04 0.00 -0.36 0.00 0.00 55.97 56.62 3hs0 s LYS 562 Cb -0.14 -3.60 0.05 0.00 -1.51 0.00 0.00 37.83 32.63 3hs0 s LYS 562 CO 0.03 -0.39 0.17 0.66 -0.36 0.00 0.00 175.35 175.46 3hs0 n TYR 563 N 5.47 -2.92 -3.57 4.03 4.01 -1.26 -4.92 117.16 118.00 3hs0 n TYR 563 Ca 0.05 -0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3hs0 n TYR 563 Cb 0.48 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 3hs0 n TYR 563 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hs0 n GLY 564 N 0.73 -0.74 0.20 2.72 0.00 0.20 -4.84 105.19 103.46 3hs0 n GLY 564 Ca 0.02 -0.93 0.07 0.00 0.00 0.00 0.00 46.02 45.18 3hs0 n GLY 564 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3hs0 h GLN 565 N 0.00 0.00 -0.02 1.61 1.08 -1.99 -3.21 115.11 112.57 3hs0 h GLN 565 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3hs0 h GLN 565 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 3hs0 h GLN 565 CO 0.00 0.32 0.00 0.25 -0.95 0.00 0.00 178.83 178.45 3hs0 n THR 566 N -3.48 0.03 -3.68 -0.54 -2.24 -1.26 -4.43 114.28 98.67 3hs0 n THR 566 Ca -0.00 -0.51 -0.20 0.00 -2.27 0.00 0.00 64.05 61.06 3hs0 n THR 566 Cb 0.48 1.21 -0.18 0.00 -2.10 0.00 0.00 70.33 69.75 3hs0 n THR 566 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3hs0 s ILE 567 N -0.93 -0.06 0.05 2.28 1.01 -1.21 -4.10 121.20 118.23 3hs0 s ILE 567 Ca 0.13 0.39 -0.24 0.00 0.00 0.00 0.00 60.65 60.94 3hs0 s ILE 567 Cb 0.09 -0.19 0.06 0.00 0.01 0.00 0.00 42.46 42.43 3hs0 s ILE 567 CO 0.14 0.19 0.56 -0.13 0.00 0.00 0.00 174.94 175.70 3hs0 s ARG 568 N 2.12 1.09 0.61 2.79 0.52 -1.22 -0.63 118.95 124.23 3hs0 s ARG 568 Ca 0.05 -0.19 -0.15 0.00 -0.52 0.00 0.00 55.73 54.92 3hs0 s ARG 568 Cb -0.12 0.50 -0.03 0.00 0.52 0.00 0.00 34.95 35.82 3hs0 s ARG 568 CO -0.03 -0.40 1.06 -2.14 0.02 0.00 0.00 175.30 173.81 3hs0 s PRO 569 N -2.47 3.22 0.09 3.54 0.02 -1.26 -3.45 135.00 134.68 3hs0 s PRO 569 Ca -0.05 1.18 0.04 0.00 0.02 0.00 0.00 61.00 62.19 3hs0 s PRO 569 Cb -0.01 -2.02 -0.04 0.00 0.02 0.00 0.00 34.50 32.45 3hs0 s PRO 569 CO -0.02 -0.89 0.05 -1.50 -0.33 0.00 0.00 177.00 174.32 3hs0 s ILE 570 N -2.54 4.35 0.80 2.83 2.07 -0.66 -2.05 121.20 126.00 3hs0 s ILE 570 Ca 0.63 -0.86 -0.11 0.00 -1.41 0.00 0.00 60.65 58.90 3hs0 s ILE 570 Cb -0.16 -3.10 0.07 0.00 0.13 0.00 0.00 42.46 39.41 3hs0 s ILE 570 CO 0.40 0.11 1.11 0.00 -1.91 0.00 0.00 174.94 174.65 3hs0 s LEU 572 N -5.97 2.42 0.83 0.00 1.43 -1.26 -2.38 118.68 113.74 3hs0 s LEU 572 Ca 0.63 -0.84 -0.11 0.00 -1.03 0.00 0.00 54.13 52.79 3hs0 s LEU 572 Cb -0.19 -0.54 0.09 0.00 0.03 0.00 0.00 46.19 45.57 3hs0 s LEU 572 CO 0.55 -0.16 1.09 -2.84 0.23 0.00 0.00 176.35 175.22 3hs0 s PRO 573 N -2.82 1.83 -1.32 1.29 0.02 -1.26 -4.10 135.00 128.64 3hs0 s PRO 573 Ca 0.10 1.04 -0.07 0.00 0.02 0.00 0.00 61.00 62.10 3hs0 s PRO 573 Cb -0.04 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.62 3hs0 s PRO 573 CO 0.03 -1.91 0.54 0.00 -0.33 0.00 0.00 177.00 175.33 3hs0 s THR 575 N -3.80 0.55 0.33 0.00 -4.23 -1.26 -3.53 115.64 103.70 3hs0 s THR 575 Ca 0.14 -1.21 0.07 0.00 -1.18 0.00 0.00 61.69 59.52 3hs0 s THR 575 Cb -0.05 -0.76 0.31 0.00 1.34 0.00 0.00 72.50 73.34 3hs0 s THR 575 CO 0.88 -0.46 1.81 -0.33 -0.54 0.00 0.00 174.62 175.98 3hs0 h GLU 576 N 4.27 0.72 -0.22 3.99 5.08 -0.46 -1.92 114.58 126.05 3hs0 h GLU 576 Ca -0.36 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 57.97 3hs0 h GLU 576 Cb 1.20 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 3hs0 h GLU 576 CO 0.44 0.48 0.12 0.78 -1.00 0.00 0.00 179.01 179.83 3hs0 h GLY 577 N 0.75 0.29 0.96 -3.84 0.00 -1.77 -3.10 103.07 96.35 3hs0 h GLY 577 Ca 0.53 -0.09 -0.13 0.00 0.00 0.00 0.00 47.33 47.64 3hs0 h GLY 577 CO -0.30 0.08 -0.36 -0.84 0.00 0.00 0.00 176.54 175.11 3hs0 h THR 578 N 0.25 1.31 -1.12 4.70 2.02 -1.63 -2.54 112.91 115.90 3hs0 h THR 578 Ca 0.09 -1.57 0.32 0.00 0.77 0.00 0.00 66.41 66.02 3hs0 h THR 578 Cb 0.01 1.75 -0.11 0.00 -1.74 0.00 0.00 68.15 68.06 3hs0 h THR 578 CO -0.05 0.49 0.71 0.74 0.37 0.00 0.00 175.52 177.78 3hs0 h THR 579 N 0.37 0.39 0.00 3.16 2.02 -1.35 0.26 112.91 117.77 3hs0 h THR 579 Ca 0.02 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.10 3hs0 h THR 579 Cb 0.95 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3hs0 h THR 579 CO 0.08 0.05 -0.86 0.54 0.37 0.00 0.00 175.52 175.71 3hs0 n ARG 580 N -4.68 0.30 0.11 6.66 1.74 -1.15 -2.22 116.66 117.42 3hs0 n ARG 580 Ca 0.29 0.04 -0.02 0.00 -0.77 0.00 0.00 57.85 57.39 3hs0 n ARG 580 Cb 1.04 -1.64 0.07 0.00 -1.02 0.00 0.00 32.46 30.91 3hs0 n ARG 580 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hs0 h ALA 581 N 2.51 0.71 -0.11 7.54 0.00 -0.08 -2.96 119.26 126.86 3hs0 h ALA 581 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3hs0 h ALA 581 Cb 0.75 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3hs0 h ALA 581 CO 0.00 0.90 0.00 1.28 0.00 0.00 0.00 179.25 181.43 3hs0 n LEU 582 N -3.53 1.09 -3.62 0.00 4.77 -0.65 -4.73 117.00 110.33 3hs0 n LEU 582 Ca -0.00 -0.46 -0.25 0.00 -0.03 0.00 0.00 56.01 55.27 3hs0 n LEU 582 Cb 0.74 -0.07 0.07 0.00 -2.33 0.00 0.00 43.42 41.82 3hs0 n LEU 582 CO 0.43 0.23 0.22 0.54 -1.33 0.00 0.00 177.39 177.48 3hs0 n ARG 583 N -0.05 -7.50 -4.28 3.23 5.12 -1.12 -4.99 116.66 107.07 3hs0 n ARG 583 Ca 0.15 0.80 -0.32 0.00 -1.93 0.00 0.00 57.85 56.54 3hs0 n ARG 583 Cb 0.23 -5.83 -0.09 0.00 -1.16 0.00 0.00 32.46 25.62 3hs0 n ARG 583 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3hs0 s LEU 584 N -7.29 3.49 0.13 0.55 1.43 -0.94 -5.05 118.68 111.00 3hs0 s LEU 584 Ca 0.59 -0.03 -0.35 0.00 -1.03 0.00 0.00 54.13 53.31 3hs0 s LEU 584 Cb -0.27 -2.03 -0.16 0.00 0.03 0.00 0.00 46.19 43.76 3hs0 s LEU 584 CO 0.73 0.27 1.20 -2.65 0.23 0.00 0.00 176.35 176.13 3hs0 n PRO 585 N 1.31 1.02 0.03 1.29 -0.02 -1.26 -4.55 135.00 132.82 3hs0 n PRO 585 Ca -0.14 0.37 0.01 0.00 -2.02 0.00 0.00 63.50 61.72 3hs0 n PRO 585 Cb 0.53 -1.90 0.07 0.00 -0.02 0.00 0.00 33.50 32.18 3hs0 n PRO 585 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3hs0 n PRO 586 N 1.99 0.02 -0.05 0.52 -0.02 -1.26 -0.93 135.00 135.27 3hs0 n PRO 586 Ca 0.17 0.38 0.06 0.00 -2.02 0.00 0.00 63.50 62.09 3hs0 n PRO 586 Cb 0.21 -1.74 0.27 0.00 -0.02 0.00 0.00 33.50 32.22 3hs0 n PRO 586 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3hs0 n THR 587 N -1.48 0.12 -2.10 3.45 -2.24 -1.26 -4.91 114.28 105.87 3hs0 n THR 587 Ca -0.00 -0.15 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 3hs0 n THR 587 Cb 0.18 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.40 3hs0 n THR 587 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hs0 s THR 588 N -1.88 3.17 0.11 4.28 2.01 -0.11 -5.02 115.64 118.20 3hs0 s THR 588 Ca 0.19 0.80 -0.02 0.00 0.31 0.00 0.00 61.69 62.97 3hs0 s THR 588 Cb 0.09 -3.51 0.02 0.00 0.01 0.00 0.00 72.50 69.12 3hs0 s THR 588 CO 0.14 0.05 0.15 0.35 -0.69 0.00 0.00 174.62 174.62 3hs0 n THR 589 N 4.13 0.00 -0.02 -0.82 -2.24 -1.26 -5.02 114.28 109.04 3hs0 n THR 589 Ca 0.13 -0.12 -0.16 0.00 -2.27 0.00 0.00 64.05 61.63 3hs0 n THR 589 Cb 0.41 -1.89 -0.13 0.00 -2.10 0.00 0.00 70.33 66.62 3hs0 n THR 589 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hs0 h GLN 591 N -0.69 0.72 0.00 0.00 5.75 -2.01 -2.25 115.11 116.64 3hs0 h GLN 591 Ca -0.05 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 3hs0 h GLN 591 Cb 1.19 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.59 3hs0 h GLN 591 CO 0.06 0.54 0.05 1.96 -2.65 0.00 0.00 178.83 178.79 3hs0 h GLN 592 N 0.70 0.00 0.14 1.69 4.20 -1.97 0.57 115.11 120.45 3hs0 h GLN 592 Ca 0.19 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.61 3hs0 h GLN 592 Cb 0.02 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.80 3hs0 h GLN 592 CO -0.03 0.00 -1.29 1.96 -0.67 0.00 0.00 178.83 178.80 3hs0 h GLN 593 N 0.00 0.30 -0.16 1.46 4.20 -1.54 -3.23 115.11 116.13 3hs0 h GLN 593 Ca 0.00 -0.51 -0.05 0.00 0.06 0.00 0.00 58.65 58.15 3hs0 h GLN 593 Cb 0.11 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 3hs0 h GLN 593 CO 0.00 1.24 -0.10 -0.22 -0.67 0.00 0.00 178.83 179.07 3hs0 h LYS 594 N 0.08 0.36 0.00 1.46 3.64 0.12 0.41 116.57 122.64 3hs0 h LYS 594 Ca -0.16 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 3hs0 h LYS 594 Cb 2.00 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 3hs0 h LYS 594 CO 0.21 0.69 0.00 0.39 -2.27 0.00 0.00 179.45 178.47 3hs0 n GLU 595 N -4.59 0.21 -0.05 1.90 1.02 -0.64 0.23 120.64 118.72 3hs0 n GLU 595 Ca -0.06 0.14 -0.06 0.00 -0.02 0.00 0.00 57.16 57.17 3hs0 n GLU 595 Cb 0.33 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.19 3hs0 n GLU 595 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hs0 n GLU 596 N -1.23 1.49 -0.07 3.49 4.07 -1.05 -4.40 120.64 122.93 3hs0 n GLU 596 Ca 0.06 0.03 -0.21 0.00 -0.06 0.00 0.00 57.16 56.98 3hs0 n GLU 596 Cb 0.09 -1.21 -0.12 0.00 -0.06 0.00 0.00 31.44 30.13 3hs0 n GLU 596 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3hs0 h LEU 597 N 0.00 0.11 -5.71 4.31 3.38 0.20 -3.42 115.31 114.17 3hs0 h LEU 597 Ca -0.23 -0.65 -0.58 0.00 0.09 0.00 0.00 57.88 56.51 3hs0 h LEU 597 Cb 1.44 -0.03 -0.42 0.00 0.09 0.00 0.00 40.66 41.74 3hs0 h LEU 597 CO -0.01 1.53 -0.69 0.18 0.09 0.00 0.00 178.44 179.53 3hs0 n LEU 598 N -4.25 3.71 0.00 1.67 4.77 0.14 -5.03 117.00 118.01 3hs0 n LEU 598 Ca -0.30 -5.49 -0.27 0.00 -0.03 0.00 0.00 56.01 49.92 3hs0 n LEU 598 Cb 0.75 -0.43 0.25 0.00 -2.33 0.00 0.00 43.42 41.66 3hs0 n LEU 598 CO 0.26 2.23 0.37 -0.81 -1.33 0.00 0.00 177.39 178.10 3hs0 n PRO 599 N 0.28 -4.18 -3.08 3.23 -0.04 -1.21 -4.66 135.00 125.34 3hs0 n PRO 599 Ca 0.30 -1.36 -0.45 0.00 -0.04 0.00 0.00 63.50 61.95 3hs0 n PRO 599 Cb 0.43 -1.63 -0.01 0.00 -0.04 0.00 0.00 33.50 32.24 3hs0 n PRO 599 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hs0 s ALA 600 N -2.33 3.90 0.11 0.55 0.00 -1.26 -4.81 121.76 117.92 3hs0 s ALA 600 Ca 0.60 -3.21 -0.24 0.00 0.00 0.00 0.00 51.96 49.11 3hs0 s ALA 600 Cb -0.09 -3.88 0.08 0.00 0.00 0.00 0.00 23.12 19.23 3hs0 s ALA 600 CO 0.50 -2.65 1.14 -1.14 0.00 0.00 0.00 175.76 173.60 3hs0 s GLN 601 N 1.24 0.96 -0.46 0.00 0.74 -0.90 -4.60 119.66 116.64 3hs0 s GLN 601 Ca 0.32 -0.62 -0.24 0.00 0.05 0.00 0.00 55.36 54.87 3hs0 s GLN 601 Cb -0.06 0.27 0.03 0.00 1.10 0.00 0.00 33.01 34.34 3hs0 s GLN 601 CO -0.07 -0.45 0.84 -0.51 -0.55 0.00 0.00 175.29 174.55 3hs0 s ASP 602 N -3.58 6.44 -0.27 6.67 1.01 -1.26 -2.00 116.67 123.68 3hs0 s ASP 602 Ca 0.25 -0.05 -0.14 0.00 0.71 0.00 0.00 52.55 53.32 3hs0 s ASP 602 Cb -0.02 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 3hs0 s ASP 602 CO 0.03 -0.98 0.34 -0.63 0.21 0.00 0.00 175.17 174.14 3hs0 s ILE 603 N 3.48 5.20 0.11 0.77 1.01 -0.05 -4.87 121.20 126.85 3hs0 s ILE 603 Ca 0.32 0.50 -0.31 0.00 0.00 0.00 0.00 60.65 61.17 3hs0 s ILE 603 Cb -0.11 -3.67 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 3hs0 s ILE 603 CO 0.24 0.18 1.32 -0.75 0.00 0.00 0.00 174.94 175.93 3hs0 s LYS 604 N 1.97 4.36 0.22 2.79 2.20 -1.26 0.01 119.74 130.03 3hs0 s LYS 604 Ca 0.14 1.98 -0.04 0.00 -0.36 0.00 0.00 55.97 57.68 3hs0 s LYS 604 Cb -0.16 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.91 3hs0 s LYS 604 CO 0.10 -0.36 0.36 0.00 -0.36 0.00 0.00 175.35 175.09 3hs0 n ALA 605 N 3.81 -0.52 -2.98 3.13 0.00 -0.06 -4.66 120.51 119.23 3hs0 n ALA 605 Ca 0.10 -0.89 -0.10 0.00 0.00 0.00 0.00 53.44 52.55 3hs0 n ALA 605 Cb 0.44 0.71 -0.05 0.00 0.00 0.00 0.00 19.45 20.55 3hs0 n ALA 605 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3hs0 s LEU 606 N 0.00 0.47 0.07 0.00 0.05 0.42 -1.20 118.68 118.49 3hs0 s LEU 606 Ca 0.14 -0.32 -0.05 0.00 0.05 0.00 0.00 54.13 53.96 3hs0 s LEU 606 Cb -0.01 1.78 -0.02 0.00 -2.05 0.00 0.00 46.19 45.88 3hs0 s LEU 606 CO 0.10 -0.83 0.08 0.72 -0.55 0.00 0.00 176.35 175.88 3hs0 s PHE 607 N -3.71 0.32 -0.24 3.48 -0.71 -0.49 -0.57 117.98 116.06 3hs0 s PHE 607 Ca 0.02 -0.80 -0.07 0.00 -1.04 0.00 0.00 56.93 55.05 3hs0 s PHE 607 Cb 0.02 -0.22 -0.03 0.00 -1.21 0.00 0.00 43.02 41.59 3hs0 s PHE 607 CO -0.11 -0.46 0.05 0.08 -1.34 0.00 0.00 175.22 173.44 3hs0 s VAL 608 N -3.79 4.16 -0.07 -2.49 1.01 -1.26 -1.33 120.40 116.64 3hs0 s VAL 608 Ca 0.05 -0.23 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3hs0 s VAL 608 Cb 0.06 -2.93 0.01 0.00 0.00 0.00 0.00 36.38 33.51 3hs0 s VAL 608 CO -0.10 0.36 -0.15 -0.55 0.00 0.00 0.00 175.10 174.66 3hs0 s SER 609 N 1.50 2.08 0.29 3.32 0.15 -0.84 -4.91 113.70 115.29 3hs0 s SER 609 Ca 0.06 -0.35 -0.20 0.00 0.70 0.00 0.00 55.95 56.16 3hs0 s SER 609 Cb -0.15 -0.86 -0.09 0.00 -1.71 0.00 0.00 66.02 63.21 3hs0 s SER 609 CO 0.02 0.08 0.79 -0.70 1.20 0.00 0.00 173.24 174.64 3hs0 s GLU 610 N 0.45 4.24 -0.31 5.44 2.12 -1.26 -2.00 118.70 127.38 3hs0 s GLU 610 Ca -0.13 0.92 0.03 0.00 0.36 0.00 0.00 54.97 56.16 3hs0 s GLU 610 Cb -0.15 -2.66 0.19 0.00 0.26 0.00 0.00 34.13 31.78 3hs0 s GLU 610 CO 0.04 0.26 0.68 -2.00 -0.54 0.00 0.00 175.26 173.70 3hs0 s GLU 611 N -2.41 0.52 -0.72 4.30 2.12 -0.74 -4.95 118.70 116.81 3hs0 s GLU 611 Ca 0.50 0.36 -0.02 0.00 0.36 0.00 0.00 54.97 56.16 3hs0 s GLU 611 Cb -0.14 0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.44 3hs0 s GLU 611 CO 0.19 -0.92 0.62 0.39 -0.54 0.00 0.00 175.26 175.00 3hs0 n GLU 612 N 5.18 -4.12 -3.56 4.30 1.02 -1.26 -3.53 120.64 118.68 3hs0 n GLU 612 Ca 0.07 0.48 -0.21 0.00 -0.02 0.00 0.00 57.16 57.48 3hs0 n GLU 612 Cb 0.55 -4.44 0.07 0.00 -0.02 0.00 0.00 31.44 27.61 3hs0 n GLU 612 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hs0 n LYS 613 N -2.91 -6.68 -3.81 3.49 5.02 -1.26 -5.02 118.16 106.99 3hs0 n LYS 613 Ca -0.10 0.79 -0.12 0.00 -2.02 0.00 0.00 58.31 56.85 3hs0 n LYS 613 Cb 0.57 -5.74 -0.10 0.00 -0.02 0.00 0.00 35.03 29.74 3hs0 n LYS 613 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hs0 s LYS 614 N -5.85 0.45 -0.25 1.97 1.02 -1.23 -5.14 119.74 110.71 3hs0 s LYS 614 Ca 0.23 -0.05 -0.13 0.00 0.02 0.00 0.00 55.97 56.04 3hs0 s LYS 614 Cb -0.11 0.20 -0.04 0.00 -0.52 0.00 0.00 37.83 37.36 3hs0 s LYS 614 CO 0.75 -0.10 0.29 -0.51 -0.92 0.00 0.00 175.35 174.86 3hs0 s LEU 615 N -0.77 4.07 0.03 3.17 1.43 -1.26 -1.80 118.68 123.56 3hs0 s LEU 615 Ca -0.09 0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.31 3hs0 s LEU 615 Cb -0.05 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 3hs0 s LEU 615 CO 0.02 -0.08 -0.24 -0.89 0.23 0.00 0.00 176.35 175.39 3hs0 s THR 616 N 1.64 2.34 -0.41 5.49 2.01 -0.85 -4.98 115.64 120.88 3hs0 s THR 616 Ca 0.12 -1.27 -0.21 0.00 0.31 0.00 0.00 61.69 60.64 3hs0 s THR 616 Cb -0.15 -1.92 0.02 0.00 0.01 0.00 0.00 72.50 70.46 3hs0 s THR 616 CO 0.09 0.40 0.67 -0.13 -0.69 0.00 0.00 174.62 174.95 3hs0 s ARG 617 N -1.18 3.45 -0.32 4.92 0.52 -1.26 -1.98 118.95 123.10 3hs0 s ARG 617 Ca 0.12 -0.17 -0.15 0.00 -0.52 0.00 0.00 55.73 55.02 3hs0 s ARG 617 Cb -0.10 -3.90 -0.02 0.00 0.52 0.00 0.00 34.95 31.45 3hs0 s ARG 617 CO 0.02 -0.93 0.36 0.15 0.02 0.00 0.00 175.30 174.93 3hs0 s LYS 618 N 2.87 3.68 -0.15 3.54 -0.14 -0.44 -4.96 119.74 124.14 3hs0 s LYS 618 Ca 0.25 -0.31 -0.23 0.00 -1.36 0.00 0.00 55.97 54.32 3hs0 s LYS 618 Cb -0.14 -3.77 -0.02 0.00 -1.68 0.00 0.00 37.83 32.22 3hs0 s LYS 618 CO 0.18 -0.46 0.73 -2.00 -0.76 0.00 0.00 175.35 173.04 3hs0 s GLU 619 N 2.03 4.31 0.32 1.68 2.12 -1.26 -1.40 118.70 126.51 3hs0 s GLU 619 Ca 0.12 0.84 0.04 0.00 0.36 0.00 0.00 54.97 56.33 3hs0 s GLU 619 Cb -0.16 -3.54 -0.06 0.00 0.26 0.00 0.00 34.13 30.63 3hs0 s GLU 619 CO 0.11 -0.18 0.06 0.14 -0.54 0.00 0.00 175.26 174.85 3hs0 s VAL 620 N 1.66 1.17 -0.08 3.70 -7.23 -0.34 -4.47 120.40 114.81 3hs0 s VAL 620 Ca 0.35 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 3hs0 s VAL 620 Cb -0.17 -2.78 -0.01 0.00 0.56 0.00 0.00 36.38 33.98 3hs0 s VAL 620 CO 0.13 -0.01 -0.21 -0.31 -0.31 0.00 0.00 175.10 174.39 3hs0 s TYR 621 N -3.31 2.56 -0.14 2.82 2.02 -1.26 -0.88 117.35 119.17 3hs0 s TYR 621 Ca 0.37 -0.70 -0.22 0.00 -0.37 0.00 0.00 57.07 56.15 3hs0 s TYR 621 Cb 0.09 -1.67 -0.03 0.00 -0.40 0.00 0.00 41.96 39.95 3hs0 s TYR 621 CO 0.15 -0.21 0.65 0.42 -1.57 0.00 0.00 175.55 174.99 3hs0 s ILE 622 N -0.04 5.05 -0.53 2.71 1.01 0.10 -4.17 121.20 125.32 3hs0 s ILE 622 Ca -0.06 1.28 -0.26 0.00 0.00 0.00 0.00 60.65 61.61 3hs0 s ILE 622 Cb -0.15 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.39 3hs0 s ILE 622 CO 0.05 0.19 1.00 -0.54 0.00 0.00 0.00 174.94 175.64 3hs0 s LYS 623 N 1.33 3.44 -0.02 2.79 -0.14 0.76 -0.87 119.74 127.02 3hs0 s LYS 623 Ca 0.32 -0.01 0.14 0.00 -1.36 0.00 0.00 55.97 55.06 3hs0 s LYS 623 Cb -0.16 -4.01 0.26 0.00 -1.68 0.00 0.00 37.83 32.23 3hs0 s LYS 623 CO 0.13 -1.46 1.11 -1.71 -0.76 0.00 0.00 175.35 172.66 3hs0 n ASN 624 N 7.63 0.76 0.00 2.83 5.15 -0.85 -4.29 115.26 126.50 3hs0 n ASN 624 Ca 0.05 -2.22 0.00 0.00 -0.60 0.00 0.00 54.58 51.81 3hs0 n ASN 624 Cb 0.48 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.44 3hs0 n ASN 624 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hs0 n GLY 625 N 0.06 3.06 0.28 8.20 0.00 -1.17 -2.11 105.19 113.51 3hs0 n GLY 625 Ca 0.05 -0.26 0.17 0.00 0.00 0.00 0.00 46.02 45.99 3hs0 n GLY 625 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hs0 h ASP 626 N 0.00 0.00 0.41 1.61 2.03 -1.91 -2.50 116.42 116.06 3hs0 h ASP 626 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3hs0 h ASP 626 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3hs0 h ASP 626 CO 0.00 0.05 -0.23 0.29 -1.03 0.00 0.00 179.24 178.33 3hs0 n LYS 627 N -3.27 0.53 0.07 4.15 5.02 -1.26 -4.16 118.16 119.23 3hs0 n LYS 627 Ca -0.01 -0.24 -0.12 0.00 -2.02 0.00 0.00 58.31 55.91 3hs0 n LYS 627 Cb 0.24 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 3hs0 n LYS 627 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3hs0 h LYS 628 N 0.60 -0.10 0.18 1.97 3.64 -1.63 -2.06 116.57 119.17 3hs0 h LYS 628 Ca 0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3hs0 h LYS 628 Cb 0.45 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3hs0 h LYS 628 CO 0.00 -0.07 -0.39 0.78 -2.27 0.00 0.00 179.45 177.50 3hs0 h GLY 629 N -0.10 -1.17 1.89 5.01 0.00 -1.78 -1.07 103.07 105.85 3hs0 h GLY 629 Ca -0.00 0.59 0.01 0.00 0.00 0.00 0.00 47.33 47.93 3hs0 h GLY 629 CO -0.01 -0.33 0.05 1.48 0.00 0.00 0.00 176.54 177.73 3hs0 h SER 630 N -0.63 0.00 0.07 0.19 4.64 -1.79 -0.39 113.55 115.65 3hs0 h SER 630 Ca -0.02 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.13 3hs0 h SER 630 Cb 0.60 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.71 3hs0 h SER 630 CO -0.17 0.00 -0.73 0.00 -0.87 0.00 0.00 176.83 175.07 3hs0 h GLU 632 N -0.22 0.63 0.00 0.00 5.08 -0.23 -3.05 114.58 116.78 3hs0 h GLU 632 Ca -0.11 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.05 3hs0 h GLU 632 Cb 1.49 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.68 3hs0 h GLU 632 CO 0.14 0.73 -0.02 0.00 -1.00 0.00 0.00 179.01 178.86 3hs0 h ARG 633 N 0.57 0.00 -0.23 2.33 3.08 -1.17 -1.86 114.38 117.10 3hs0 h ARG 633 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 3hs0 h ARG 633 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 3hs0 h ARG 633 CO 0.03 0.02 0.00 -0.25 -1.07 0.00 0.00 179.97 178.70 3hs0 n ASP 634 N -3.39 0.23 -0.03 7.04 9.92 -1.15 -3.70 116.55 125.47 3hs0 n ASP 634 Ca -0.02 -1.44 -0.14 0.00 -0.53 0.00 0.00 54.79 52.65 3hs0 n ASP 634 Cb 0.12 -0.12 -0.09 0.00 -0.64 0.00 0.00 41.12 40.39 3hs0 n ASP 634 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hs0 h ALA 635 N 2.21 0.11 0.00 2.24 0.00 -1.56 -3.27 119.26 118.98 3hs0 h ALA 635 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3hs0 h ALA 635 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3hs0 h ALA 635 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.30 3hs0 n GLN 636 N -4.56 0.33 -0.16 0.00 10.64 -1.24 -1.44 117.38 120.95 3hs0 n GLN 636 Ca -0.08 0.00 0.05 0.00 -1.83 0.00 0.00 57.00 55.14 3hs0 n GLN 636 Cb 0.41 -1.03 0.13 0.00 -0.86 0.00 0.00 30.24 28.89 3hs0 n GLN 636 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 3hs0 n TYR 637 N -0.35 0.34 -2.62 2.61 4.01 -1.23 -4.14 117.16 115.78 3hs0 n TYR 637 Ca 0.00 -0.66 -0.28 0.00 -0.16 0.00 0.00 57.90 56.80 3hs0 n TYR 637 Cb 0.02 -0.11 -0.01 0.00 -0.31 0.00 0.00 39.34 38.93 3hs0 n TYR 637 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hs0 s ALA 638 N -1.69 3.37 -0.29 -0.72 0.00 -0.52 -4.97 121.76 116.94 3hs0 s ALA 638 Ca 0.22 -0.42 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 3hs0 s ALA 638 Cb 0.16 -2.64 -0.05 0.00 0.00 0.00 0.00 23.12 20.59 3hs0 s ALA 638 CO 0.07 -0.32 2.16 -2.14 0.00 0.00 0.00 175.76 175.54 3hs0 s PRO 639 N -4.62 3.00 0.00 0.00 0.02 -1.26 -3.01 135.00 129.12 3hs0 s PRO 639 Ca 0.49 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.28 3hs0 s PRO 639 Cb -0.10 -4.37 0.00 0.00 0.02 0.00 0.00 34.50 30.04 3hs0 s PRO 639 CO 0.43 -2.25 0.00 0.41 -0.33 0.00 0.00 177.00 175.26 3hs0 n GLY 640 N 5.74 3.11 0.00 0.52 0.00 -1.26 -4.91 105.19 108.39 3hs0 n GLY 640 Ca 0.29 -1.01 0.08 0.00 0.00 0.00 0.00 46.02 45.38 3hs0 n GLY 640 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hs0 n TYR 641 N 0.00 0.00 -0.02 1.61 4.01 -1.17 -4.22 117.16 117.38 3hs0 n TYR 641 Ca 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 3hs0 n TYR 641 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.03 3hs0 n TYR 641 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3hs0 n ASP 642 N -0.96 -0.05 0.00 7.72 8.00 -1.26 -1.49 116.55 128.51 3hs0 n ASP 642 Ca 0.13 0.96 0.00 0.00 0.71 0.00 0.00 54.79 56.58 3hs0 n ASP 642 Cb 0.06 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 3hs0 n ASP 642 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3hs0 n LYS 643 N -3.04 0.00 -2.26 -1.24 5.02 -1.26 -4.59 118.16 110.79 3hs0 n LYS 643 Ca 0.00 0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 55.91 3hs0 n LYS 643 Cb 0.01 -1.52 -0.02 0.00 -0.02 0.00 0.00 35.03 33.48 3hs0 n LYS 643 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hs0 s VAL 644 N -1.78 3.94 0.02 -0.18 1.01 -0.55 -4.89 120.40 117.97 3hs0 s VAL 644 Ca 0.00 1.08 -0.03 0.00 0.00 0.00 0.00 61.98 63.03 3hs0 s VAL 644 Cb 0.00 -3.89 -0.28 0.00 0.00 0.00 0.00 36.38 32.21 3hs0 s VAL 644 CO 0.00 -0.32 0.93 0.11 0.00 0.00 0.00 175.10 175.82 3hs0 h LYS 645 N 9.73 0.24 -4.51 2.72 1.57 -1.90 -3.42 116.57 121.00 3hs0 h LYS 645 Ca -0.30 -0.41 -0.67 0.00 -1.87 0.00 0.00 60.65 57.39 3hs0 h LYS 645 Cb 1.13 0.15 -0.38 0.00 0.08 0.00 0.00 32.23 33.21 3hs0 h LYS 645 CO 1.00 1.12 -0.64 0.34 -0.57 0.00 0.00 179.45 180.70 3hs0 s ASP 646 N -6.99 4.95 0.51 0.86 -1.08 -1.26 -4.99 116.67 108.67 3hs0 s ASP 646 Ca -0.07 -2.18 0.37 0.00 -0.52 0.00 0.00 52.55 50.15 3hs0 s ASP 646 Cb 0.07 -1.71 1.53 0.00 -1.46 0.00 0.00 42.92 41.34 3hs0 s ASP 646 CO 0.86 -0.43 1.72 0.40 0.52 0.00 0.00 175.17 178.23 3hs0 h ILE 647 N 6.42 0.28 0.00 4.11 2.04 -1.98 0.26 117.51 128.64 3hs0 h ILE 647 Ca -0.08 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3hs0 h ILE 647 Cb 1.02 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3hs0 h ILE 647 CO 0.60 0.01 0.00 -1.54 0.00 0.00 0.00 178.15 177.22 3hs0 n SER 648 N -4.25 0.28 0.02 1.72 3.41 -1.26 -1.81 113.62 111.73 3hs0 n SER 648 Ca 0.32 0.62 0.10 0.00 -0.26 0.00 0.00 58.87 59.65 3hs0 n SER 648 Cb 1.42 -0.66 0.44 0.00 -0.26 0.00 0.00 64.21 65.15 3hs0 n SER 648 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hs0 n GLU 649 N -1.86 0.04 0.00 4.33 1.02 0.92 -3.59 120.64 121.49 3hs0 n GLU 649 Ca -0.00 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 3hs0 n GLU 649 Cb 0.05 -1.56 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 3hs0 n GLU 649 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 3hs0 n VAL 650 N -1.63 0.00 -3.33 2.62 0.24 -0.75 -4.98 118.33 110.51 3hs0 n VAL 650 Ca 0.05 0.00 -0.45 0.00 -2.04 0.00 0.00 64.34 61.90 3hs0 n VAL 650 Cb 0.25 -0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 32.13 3hs0 n VAL 650 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3hs0 s VAL 651 N -1.60 5.17 0.28 3.34 1.01 -0.89 -4.79 120.40 122.92 3hs0 s VAL 651 Ca 0.00 -1.17 0.06 0.00 0.00 0.00 0.00 61.98 60.87 3hs0 s VAL 651 Cb 0.00 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3hs0 s VAL 651 CO 0.00 -0.73 0.32 0.42 0.00 0.00 0.00 175.10 175.11 3hs0 s THR 652 N 1.77 4.51 0.01 3.92 -4.23 -1.26 -4.49 115.64 115.86 3hs0 s THR 652 Ca 0.05 -1.17 0.16 0.00 -1.18 0.00 0.00 61.69 59.55 3hs0 s THR 652 Cb -0.26 -3.53 0.16 0.00 1.34 0.00 0.00 72.50 70.21 3hs0 s THR 652 CO 0.06 -0.28 1.42 -0.65 -0.54 0.00 0.00 174.62 174.63 3hs0 h PRO 653 N 1.22 0.00 -2.25 3.99 0.11 -1.97 -2.69 132.00 130.41 3hs0 h PRO 653 Ca -0.49 0.00 -0.75 0.00 0.11 0.00 0.00 66.00 64.87 3hs0 h PRO 653 Cb 1.24 0.00 -0.23 0.00 0.11 0.00 0.00 31.00 32.12 3hs0 h PRO 653 CO 0.59 0.00 1.27 0.54 -0.21 0.00 0.00 178.00 180.19 3hs0 n ARG 654 N -2.15 4.38 -3.73 1.05 3.00 -1.26 -4.93 116.66 113.02 3hs0 n ARG 654 Ca -0.01 -3.93 -0.12 0.00 -0.01 0.00 0.00 57.85 53.78 3hs0 n ARG 654 Cb 0.26 -2.43 -0.11 0.00 0.00 0.00 0.00 32.46 30.18 3hs0 n ARG 654 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3hs0 s PHE 655 N -3.34 -0.47 0.42 -1.55 0.08 -1.02 -3.82 117.98 108.29 3hs0 s PHE 655 Ca 0.47 1.09 0.07 0.00 0.12 0.00 0.00 56.93 58.68 3hs0 s PHE 655 Cb 0.26 0.17 -0.03 0.00 -0.57 0.00 0.00 43.02 42.86 3hs0 s PHE 655 CO -0.19 -0.24 0.32 -0.51 -0.10 0.00 0.00 175.22 174.49 3hs0 s LEU 656 N 0.58 3.28 -0.07 -0.37 1.43 0.12 -4.77 118.68 118.87 3hs0 s LEU 656 Ca -0.03 -0.87 -0.03 0.00 -1.03 0.00 0.00 54.13 52.17 3hs0 s LEU 656 Cb -0.05 -1.82 0.04 0.00 0.03 0.00 0.00 46.19 44.40 3hs0 s LEU 656 CO -0.03 -0.64 0.14 0.00 0.23 0.00 0.00 176.35 176.04 3hs0 n THR 658 N 5.30 0.00 0.00 0.00 -2.24 -0.93 -0.17 114.28 116.24 3hs0 n THR 658 Ca -0.05 -1.32 0.00 0.00 -2.27 0.00 0.00 64.05 60.41 3hs0 n THR 658 Cb 0.50 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 3hs0 n THR 658 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hs0 n GLY 659 N 0.89 -1.61 0.00 3.38 0.00 -1.26 -1.54 105.19 105.05 3hs0 n GLY 659 Ca -0.06 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3hs0 n GLY 659 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hs0 n GLY 660 N -2.01 -1.19 0.00 -0.02 0.00 -1.26 -4.72 105.19 95.99 3hs0 n GLY 660 Ca 0.00 -2.12 0.04 0.00 0.00 0.00 0.00 46.02 43.94 3hs0 n GLY 660 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hs0 n VAL 661 N 0.00 0.00 -4.20 1.61 0.24 -1.26 -0.70 118.33 114.02 3hs0 n VAL 661 Ca 0.00 -0.24 -0.34 0.00 -2.04 0.00 0.00 64.34 61.71 3hs0 n VAL 661 Cb 0.00 0.59 -0.12 0.00 -1.47 0.00 0.00 33.84 32.83 3hs0 n VAL 661 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3hs0 s SER 662 N -2.53 4.77 0.20 -1.34 0.15 -1.26 -2.46 113.70 111.24 3hs0 s SER 662 Ca -0.01 -0.19 0.14 0.00 0.70 0.00 0.00 55.95 56.59 3hs0 s SER 662 Cb 0.06 -1.80 -0.03 0.00 -1.71 0.00 0.00 66.02 62.54 3hs0 s SER 662 CO 0.36 0.10 1.29 -0.65 1.20 0.00 0.00 173.24 175.54 3hs0 h PRO 663 N 7.21 0.00 -5.05 5.44 0.11 -1.94 -3.49 132.00 134.28 3hs0 h PRO 663 Ca -0.34 0.00 -0.34 0.00 0.11 0.00 0.00 66.00 65.43 3hs0 h PRO 663 Cb 1.18 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.12 3hs0 h PRO 663 CO 0.62 0.56 -0.74 0.71 -0.21 0.00 0.00 178.00 178.94 3hs0 s TYR 664 N -2.90 1.14 -0.20 0.65 2.02 -1.03 -5.05 117.35 111.97 3hs0 s TYR 664 Ca 0.02 -0.65 -0.29 0.00 -0.37 0.00 0.00 57.07 55.79 3hs0 s TYR 664 Cb 0.08 -0.61 -0.06 0.00 -0.40 0.00 0.00 41.96 40.97 3hs0 s TYR 664 CO 0.77 0.03 2.20 0.00 -1.57 0.00 0.00 175.55 176.98 3hs0 n ALA 665 N 0.49 1.72 -2.76 3.71 0.00 -1.21 -4.20 120.51 118.26 3hs0 n ALA 665 Ca -0.15 -0.20 -0.37 0.00 0.00 0.00 0.00 53.44 52.72 3hs0 n ALA 665 Cb 0.58 -2.88 -0.07 0.00 0.00 0.00 0.00 19.45 17.09 3hs0 n ALA 665 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hs0 s ASP 666 N 7.90 6.44 0.70 0.00 1.01 0.12 -5.00 116.67 127.84 3hs0 s ASP 666 Ca 1.00 0.52 -0.14 0.00 0.71 0.00 0.00 52.55 54.64 3hs0 s ASP 666 Cb -0.38 -2.12 0.02 0.00 1.01 0.00 0.00 42.92 41.45 3hs0 s ASP 666 CO 0.37 0.31 1.14 -2.16 0.21 0.00 0.00 175.17 175.03 3hs0 s PRO 667 N -0.57 2.46 0.19 8.23 0.04 -1.26 -4.25 135.00 139.84 3hs0 s PRO 667 Ca 0.16 1.49 0.07 0.00 0.04 0.00 0.00 61.00 62.76 3hs0 s PRO 667 Cb -0.13 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 3hs0 s PRO 667 CO 0.05 -1.53 0.02 -0.80 0.04 0.00 0.00 177.00 174.78 3hs0 s ASN 668 N -2.49 4.85 0.57 6.66 0.01 -1.26 -4.60 114.94 118.67 3hs0 s ASN 668 Ca 0.69 -0.40 -0.17 0.00 -0.71 0.00 0.00 52.86 52.27 3hs0 s ASN 668 Cb -0.23 -1.05 -0.05 0.00 0.41 0.00 0.00 41.25 40.33 3hs0 s ASN 668 CO 0.45 0.07 1.05 0.42 -1.51 0.00 0.00 177.10 177.58 3hs0 s THR 669 N -1.83 3.82 0.32 1.60 -4.23 -1.26 -5.03 115.64 109.03 3hs0 s THR 669 Ca 0.29 0.92 0.02 0.00 -1.18 0.00 0.00 61.69 61.73 3hs0 s THR 669 Cb -0.09 -3.41 0.06 0.00 1.34 0.00 0.00 72.50 70.41 3hs0 s THR 669 CO 0.19 -0.46 0.44 0.00 -0.54 0.00 0.00 174.62 174.26 3hs0 h ARG 671 N 0.00 0.50 0.00 0.00 3.08 -1.97 -3.14 114.38 112.84 3hs0 h ARG 671 Ca -0.15 -0.47 0.00 0.00 0.07 0.00 0.00 59.98 59.43 3hs0 h ARG 671 Cb 0.60 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3hs0 h ARG 671 CO 0.18 1.11 0.00 0.41 -1.07 0.00 0.00 179.97 180.60 3hs0 n GLY 672 N 0.90 -0.54 0.00 0.04 0.00 -1.26 -2.31 105.19 102.02 3hs0 n GLY 672 Ca -0.09 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 45.95 3hs0 n GLY 672 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hs0 n ASP 673 N -1.18 0.88 -4.48 1.61 8.00 -1.19 -4.13 116.55 116.07 3hs0 n ASP 673 Ca 0.07 -0.39 -0.37 0.00 0.71 0.00 0.00 54.79 54.81 3hs0 n ASP 673 Cb 0.07 1.46 0.06 0.00 -0.02 0.00 0.00 41.12 42.69 3hs0 n ASP 673 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hs0 n SER 674 N -1.81 -1.00 0.00 -2.24 3.41 -0.98 -1.87 113.62 109.13 3hs0 n SER 674 Ca -0.00 0.64 0.00 0.00 -0.26 0.00 0.00 58.87 59.25 3hs0 n SER 674 Cb 0.38 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 3hs0 n SER 674 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hs0 n GLY 675 N 1.65 0.37 3.93 5.00 0.00 0.23 -1.49 105.19 114.88 3hs0 n GLY 675 Ca 0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.87 3hs0 n GLY 675 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hs0 s GLY 676 N -2.00 1.67 0.19 -0.02 0.00 -0.78 -3.40 107.32 102.98 3hs0 s GLY 676 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 44.72 43.54 3hs0 s GLY 676 CO 0.00 -0.48 1.04 -4.14 0.00 0.00 0.00 173.10 169.52 3hs0 s PRO 677 N -5.23 4.67 -0.32 2.90 0.02 -1.26 -1.32 135.00 134.46 3hs0 s PRO 677 Ca 0.59 1.63 -0.12 0.00 0.02 0.00 0.00 61.00 63.13 3hs0 s PRO 677 Cb -0.11 -3.29 -0.03 0.00 0.02 0.00 0.00 34.50 31.10 3hs0 s PRO 677 CO 0.45 0.21 0.21 -1.17 -0.33 0.00 0.00 177.00 176.37 3hs0 s LEU 678 N -0.60 4.30 0.04 -5.54 2.96 -0.41 -4.17 118.68 115.27 3hs0 s LEU 678 Ca 0.47 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 54.15 3hs0 s LEU 678 Cb -0.28 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.26 3hs0 s LEU 678 CO 0.34 -0.17 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.39 3hs0 s ILE 679 N 1.72 2.73 -0.20 6.68 1.01 0.26 -0.50 121.20 132.91 3hs0 s ILE 679 Ca 0.06 -1.21 -0.04 0.00 0.00 0.00 0.00 60.65 59.46 3hs0 s ILE 679 Cb -0.17 -2.14 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 3hs0 s ILE 679 CO 0.10 0.33 -0.04 -0.69 0.00 0.00 0.00 174.94 174.65 3hs0 s VAL 680 N -0.92 3.59 -1.12 2.92 1.01 0.81 -0.44 120.40 126.25 3hs0 s VAL 680 Ca 0.14 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 3hs0 s VAL 680 Cb -0.10 -2.61 0.27 0.00 0.00 0.00 0.00 36.38 33.94 3hs0 s VAL 680 CO 0.05 0.44 1.41 1.57 0.00 0.00 0.00 175.10 178.58 3hs0 n HIS 681 N 4.31 3.46 -3.97 5.22 -0.00 -1.26 -1.59 115.22 121.39 3hs0 n HIS 681 Ca -0.18 -3.07 -0.35 0.00 0.46 0.00 0.00 57.72 54.58 3hs0 n HIS 681 Cb 0.52 -1.54 -0.06 0.00 -0.12 0.00 0.00 29.99 28.78 3hs0 n HIS 681 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 3hs0 s LYS 682 N -1.67 3.34 -1.58 1.57 2.20 -0.95 -4.42 119.74 118.24 3hs0 s LYS 682 Ca 0.33 -0.26 -0.13 0.00 -0.36 0.00 0.00 55.97 55.54 3hs0 s LYS 682 Cb 0.00 -3.08 0.10 0.00 -1.51 0.00 0.00 37.83 33.35 3hs0 s LYS 682 CO 0.03 0.72 0.81 0.54 -0.36 0.00 0.00 175.35 177.10 3hs0 n ARG 683 N 1.59 -4.21 -0.99 4.03 5.12 -1.26 -1.32 116.66 119.61 3hs0 n ARG 683 Ca -0.16 0.48 -0.05 0.00 -1.93 0.00 0.00 57.85 56.19 3hs0 n ARG 683 Cb 0.54 -5.18 -0.02 0.00 -1.16 0.00 0.00 32.46 26.64 3hs0 n ARG 683 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3hs0 n SER 684 N -2.79 -4.70 -4.60 0.55 3.41 -1.26 -4.94 113.62 99.29 3hs0 n SER 684 Ca -0.01 0.12 -0.27 0.00 -0.26 0.00 0.00 58.87 58.45 3hs0 n SER 684 Cb 0.54 -3.21 -0.09 0.00 -0.26 0.00 0.00 64.21 61.19 3hs0 n SER 684 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3hs0 s ARG 685 N -2.11 2.17 -0.32 4.33 1.81 -0.43 -4.81 118.95 119.59 3hs0 s ARG 685 Ca 0.00 -1.20 -0.07 0.00 -1.72 0.00 0.00 55.73 52.73 3hs0 s ARG 685 Cb 0.00 -2.23 0.02 0.00 -0.45 0.00 0.00 34.95 32.29 3hs0 s ARG 685 CO 0.00 0.45 0.11 -0.06 -0.68 0.00 0.00 175.30 175.11 3hs0 s PHE 686 N -1.68 3.20 -0.09 -0.53 0.08 0.19 -2.23 117.98 116.93 3hs0 s PHE 686 Ca 0.25 -1.10 -0.01 0.00 0.12 0.00 0.00 56.93 56.19 3hs0 s PHE 686 Cb -0.09 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 3hs0 s PHE 686 CO 0.16 -0.63 -0.02 0.42 -0.10 0.00 0.00 175.22 175.05 3hs0 s ILE 687 N 1.48 4.09 -0.12 0.64 1.09 -0.62 -3.12 121.20 124.64 3hs0 s ILE 687 Ca 0.01 -0.33 -0.21 0.00 -1.10 0.00 0.00 60.65 59.03 3hs0 s ILE 687 Cb -0.18 -2.71 -0.04 0.00 -1.06 0.00 0.00 42.46 38.47 3hs0 s ILE 687 CO 0.03 0.59 0.59 -1.58 -0.10 0.00 0.00 174.94 174.47 3hs0 s GLN 688 N -0.74 4.35 0.00 2.79 0.74 -1.00 -0.14 119.66 125.66 3hs0 s GLN 688 Ca 0.11 0.64 0.04 0.00 0.05 0.00 0.00 55.36 56.21 3hs0 s GLN 688 Cb -0.11 -3.47 -0.00 0.00 1.10 0.00 0.00 33.01 30.52 3hs0 s GLN 688 CO 0.02 0.04 0.40 1.33 -0.55 0.00 0.00 175.29 176.53 3hs0 n VAL 689 N 3.93 0.00 -3.82 1.34 0.24 0.35 -4.19 118.33 116.18 3hs0 n VAL 689 Ca -0.04 -0.45 -0.05 0.00 -2.04 0.00 0.00 64.34 61.76 3hs0 n VAL 689 Cb 0.51 1.05 0.00 0.00 -1.47 0.00 0.00 33.84 33.93 3hs0 n VAL 689 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3hs0 s GLY 690 N -0.86 0.01 -0.12 7.63 0.00 -1.11 -1.65 107.32 111.22 3hs0 s GLY 690 Ca 0.03 -0.23 0.02 0.00 0.00 0.00 0.00 44.72 44.53 3hs0 s GLY 690 CO 0.11 0.75 -0.16 0.14 0.00 0.00 0.00 173.10 173.93 3hs0 s VAL 691 N -2.79 1.59 -0.15 1.40 1.01 -1.01 -1.29 120.40 119.16 3hs0 s VAL 691 Ca 0.16 -0.69 -0.34 0.00 0.00 0.00 0.00 61.98 61.11 3hs0 s VAL 691 Cb -0.03 -1.45 -0.11 0.00 0.00 0.00 0.00 36.38 34.79 3hs0 s VAL 691 CO 0.05 0.46 1.94 -0.38 0.00 0.00 0.00 175.10 177.18 3hs0 n ILE 692 N 4.24 0.50 0.00 2.22 5.41 -0.43 -1.75 119.36 129.55 3hs0 n ILE 692 Ca -0.19 -0.15 0.00 0.00 1.00 0.00 0.00 62.75 63.41 3hs0 n ILE 692 Cb 0.51 -1.87 0.00 0.00 -0.71 0.00 0.00 39.64 37.57 3hs0 n ILE 692 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3hs0 n SER 693 N 7.42 0.00 -4.35 4.38 2.88 0.12 0.74 113.62 124.81 3hs0 n SER 693 Ca 0.26 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.58 3hs0 n SER 693 Cb 0.29 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.64 3hs0 n SER 693 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 3hs0 s TRP 694 N 0.44 1.90 0.45 0.66 1.48 -1.12 -4.67 118.94 118.08 3hs0 s TRP 694 Ca 0.00 -0.46 0.06 0.00 -1.06 0.00 0.00 56.10 54.65 3hs0 s TRP 694 Cb 0.00 -0.93 0.06 0.00 -1.16 0.00 0.00 33.47 31.44 3hs0 s TRP 694 CO 0.00 0.38 0.51 0.41 -4.06 0.00 0.00 176.95 174.18 3hs0 n GLY 695 N 0.18 2.29 0.05 3.67 0.00 -1.26 -0.34 105.19 109.78 3hs0 n GLY 695 Ca -0.12 -2.23 -0.04 0.00 0.00 0.00 0.00 46.02 43.63 3hs0 n GLY 695 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hs0 n VAL 696 N -1.80 0.62 -4.06 1.61 0.31 -1.15 -4.91 118.33 108.94 3hs0 n VAL 696 Ca 0.07 -0.43 -0.16 0.00 -0.01 0.00 0.00 64.34 63.81 3hs0 n VAL 696 Cb 0.48 -0.56 -0.15 0.00 -0.91 0.00 0.00 33.84 32.70 3hs0 n VAL 696 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hs0 s VAL 697 N -2.35 0.31 0.16 2.52 1.01 -1.26 -4.34 120.40 116.46 3hs0 s VAL 697 Ca -0.05 -0.09 -0.26 0.00 0.00 0.00 0.00 61.98 61.58 3hs0 s VAL 697 Cb 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 36.38 36.02 3hs0 s VAL 697 CO 0.45 0.13 0.80 -0.62 0.00 0.00 0.00 175.10 175.85 3hs0 s ASP 698 N 0.38 7.41 0.00 3.32 2.15 -1.26 -4.93 116.67 123.74 3hs0 s ASP 698 Ca -0.04 1.67 0.00 0.00 0.43 0.00 0.00 52.55 54.61 3hs0 s ASP 698 Cb -0.07 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 3hs0 s ASP 698 CO -0.01 0.18 0.00 0.55 -0.17 0.00 0.00 175.17 175.72 3hs0 n VAL 699 N 1.72 0.00 -2.52 1.11 3.14 -1.26 -5.11 118.33 115.41 3hs0 n VAL 699 Ca -0.05 0.00 -0.41 0.00 -2.96 0.00 0.00 64.34 60.92 3hs0 n VAL 699 Cb 0.49 0.78 -0.04 0.00 -1.06 0.00 0.00 33.84 34.01 3hs0 n VAL 699 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hs0 s LYS 701 N -0.12 2.84 0.00 0.00 1.02 -1.26 -5.10 119.74 117.13 3hs0 s LYS 701 Ca 0.50 -3.29 0.00 0.00 0.02 0.00 0.00 55.97 53.21 3hs0 s LYS 701 Cb -0.29 -3.68 0.00 0.00 -0.52 0.00 0.00 37.83 33.34 3hs0 s LYS 701 CO 0.34 -1.27 0.00 1.17 -0.92 0.00 0.00 175.35 174.67 3hs0 n LYS 707 N 2.19 0.00 0.00 1.68 0.00 -1.26 -5.17 118.16 115.60 3hs0 n LYS 707 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.51 3hs0 n LYS 707 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.39 3hs0 n LYS 707 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3hs0 n GLN 708 N 0.00 0.00 0.00 1.64 -0.06 -1.26 -4.93 117.38 112.77 3hs0 n GLN 708 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3hs0 n GLN 708 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3hs0 n GLN 708 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 3hs0 n VAL 709 N 0.00 0.00 -1.74 1.69 3.14 -1.26 -5.03 118.33 115.13 3hs0 n VAL 709 Ca 0.00 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 60.96 3hs0 n VAL 709 Cb 0.00 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 3hs0 n VAL 709 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3hs0 n PRO 710 N 2.78 2.74 0.13 1.45 -0.02 -1.26 -4.86 135.00 135.96 3hs0 n PRO 710 Ca 0.00 0.98 0.19 0.00 -2.02 0.00 0.00 63.50 62.65 3hs0 n PRO 710 Cb 0.00 -2.78 0.77 0.00 -0.02 0.00 0.00 33.50 31.47 3hs0 n PRO 710 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hs0 h ALA 711 N 5.25 2.02 -0.25 3.55 0.00 -1.96 -2.10 119.26 125.78 3hs0 h ALA 711 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hs0 h ALA 711 Cb 1.22 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3hs0 h ALA 711 CO 0.83 -0.54 0.00 -2.39 0.00 0.00 0.00 179.25 177.16 3hs0 n HIS 712 N -3.76 0.34 0.00 0.00 1.44 -1.26 -4.40 115.22 107.58 3hs0 n HIS 712 Ca 0.05 -0.17 0.00 0.00 -2.01 0.00 0.00 57.72 55.60 3hs0 n HIS 712 Cb 0.52 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.63 3hs0 n HIS 712 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hs0 n ALA 713 N 0.27 0.00 0.00 1.59 0.00 -0.79 -4.92 120.51 116.65 3hs0 n ALA 713 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3hs0 n ALA 713 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3hs0 n ALA 713 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hs0 n ARG 714 N 0.00 0.00 -3.69 0.00 1.74 -1.26 -4.50 116.66 108.95 3hs0 n ARG 714 Ca 0.00 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 56.93 3hs0 n ARG 714 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 3hs0 n ARG 714 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3hs0 s ASP 715 N -1.98 -0.32 -0.05 0.55 1.01 -0.59 -2.95 116.67 112.34 3hs0 s ASP 715 Ca 0.00 0.26 0.04 0.00 0.71 0.00 0.00 52.55 53.56 3hs0 s ASP 715 Cb 0.00 0.38 -0.00 0.00 1.01 0.00 0.00 42.92 44.30 3hs0 s ASP 715 CO 0.00 -0.50 -0.18 -0.36 0.21 0.00 0.00 175.17 174.35 3hs0 s PHE 716 N -1.31 1.78 0.08 4.23 0.08 0.53 -2.19 117.98 121.18 3hs0 s PHE 716 Ca -0.13 -0.54 0.07 0.00 0.12 0.00 0.00 56.93 56.46 3hs0 s PHE 716 Cb -0.04 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.18 3hs0 s PHE 716 CO 0.06 -0.19 -0.19 -1.01 -0.10 0.00 0.00 175.22 173.79 3hs0 s HIS 717 N 0.09 1.60 -0.30 0.36 3.76 -1.05 -0.70 115.29 119.05 3hs0 s HIS 717 Ca -0.05 -0.41 -0.28 0.00 -0.15 0.00 0.00 55.06 54.17 3hs0 s HIS 717 Cb -0.12 -0.90 0.01 0.00 1.11 0.00 0.00 32.58 32.68 3hs0 s HIS 717 CO 0.03 0.13 1.00 0.42 -0.85 0.00 0.00 174.74 175.47 3hs0 s ILE 718 N -1.09 4.60 -0.33 0.60 -1.09 -0.72 0.12 121.20 123.30 3hs0 s ILE 718 Ca 0.04 1.66 -0.28 0.00 -2.23 0.00 0.00 60.65 59.84 3hs0 s ILE 718 Cb -0.10 -4.34 -0.02 0.00 -1.58 0.00 0.00 42.46 36.43 3hs0 s ILE 718 CO 0.03 -0.37 1.78 0.21 -1.23 0.00 0.00 174.94 175.35 3hs0 s ASN 719 N 1.57 5.92 0.48 3.58 3.84 -1.25 -2.41 114.94 126.66 3hs0 s ASN 719 Ca 0.42 1.27 0.32 0.00 0.21 0.00 0.00 52.86 55.09 3hs0 s ASN 719 Cb -0.13 -2.53 1.70 0.00 -0.55 0.00 0.00 41.25 39.74 3hs0 s ASN 719 CO 0.13 -1.70 1.98 -0.07 -2.79 0.00 0.00 177.10 174.66 3hs0 h LEU 720 N 13.60 0.00 0.00 3.21 3.38 -1.68 -0.37 115.31 133.45 3hs0 h LEU 720 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 3hs0 h LEU 720 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 3hs0 h LEU 720 CO 1.04 0.00 0.00 0.49 0.09 0.00 0.00 178.44 180.06 3hs0 n PHE 721 N -2.65 0.00 0.66 1.13 3.72 -1.26 -3.05 117.46 116.01 3hs0 n PHE 721 Ca -0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.45 3hs0 n PHE 721 Cb 0.08 -0.44 -0.04 0.00 -0.94 0.00 0.00 39.48 38.14 3hs0 n PHE 721 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3hs0 n GLN 722 N -1.44 2.05 -0.77 -1.08 1.13 -0.15 -4.30 117.38 112.83 3hs0 n GLN 722 Ca 0.06 -0.39 -0.02 0.00 -1.94 0.00 0.00 57.00 54.71 3hs0 n GLN 722 Cb 0.22 -1.20 0.20 0.00 0.11 0.00 0.00 30.24 29.57 3hs0 n GLN 722 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 3hs0 n VAL 723 N -0.74 2.49 -0.32 5.09 0.24 -1.17 -4.76 118.33 119.16 3hs0 n VAL 723 Ca 0.04 -2.83 -0.04 0.00 -2.04 0.00 0.00 64.34 59.47 3hs0 n VAL 723 Cb 0.27 -0.31 0.08 0.00 -1.47 0.00 0.00 33.84 32.41 3hs0 n VAL 723 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3hs0 h LEU 724 N 1.01 1.07 -0.07 1.34 3.38 -1.75 -2.14 115.31 118.15 3hs0 h LEU 724 Ca 0.18 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3hs0 h LEU 724 Cb 1.55 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.96 3hs0 h LEU 724 CO 0.32 0.84 -0.49 -0.65 0.09 0.00 0.00 178.44 178.55 3hs0 h PRO 725 N 1.21 -0.57 0.00 1.13 0.11 -1.94 -2.43 132.00 129.52 3hs0 h PRO 725 Ca 0.31 0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.43 3hs0 h PRO 725 Cb -0.01 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 3hs0 h PRO 725 CO -0.05 -0.38 -0.13 2.35 -0.21 0.00 0.00 178.00 179.57 3hs0 h TRP 726 N -0.59 0.00 0.31 0.65 7.01 -1.89 -2.94 115.95 118.51 3hs0 h TRP 726 Ca 0.04 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.03 3hs0 h TRP 726 Cb 0.68 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.74 3hs0 h TRP 726 CO -0.52 0.13 -0.15 -0.07 -2.79 0.00 0.00 178.44 175.05 3hs0 h LEU 727 N 0.00 -0.36 -2.06 0.65 3.38 -0.93 -3.00 115.31 112.99 3hs0 h LEU 727 Ca -0.00 -0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.03 3hs0 h LEU 727 Cb 0.29 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3hs0 h LEU 727 CO 0.02 0.11 0.32 0.11 0.09 0.00 0.00 178.44 179.09 3hs0 h LYS 728 N -1.08 0.00 -0.11 1.13 1.57 -1.47 -2.46 116.57 114.14 3hs0 h LYS 728 Ca -0.04 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.62 3hs0 h LYS 728 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3hs0 h LYS 728 CO 0.07 0.00 -0.40 1.49 -0.57 0.00 0.00 179.45 180.04 3hs0 h GLU 729 N 0.00 0.47 -0.46 3.15 4.81 -1.54 -2.72 114.58 118.29 3hs0 h GLU 729 Ca 0.18 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 3hs0 h GLU 729 Cb 0.82 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.26 3hs0 h GLU 729 CO -0.00 0.98 0.00 1.63 -0.73 0.00 0.00 179.01 180.89 3hs0 n LYS 730 N -4.32 2.54 0.00 1.92 4.76 -0.96 -4.14 118.16 117.97 3hs0 n LYS 730 Ca -0.08 -2.34 0.00 0.00 -2.87 0.00 0.00 58.31 53.02 3hs0 n LYS 730 Cb 0.54 -1.53 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 3hs0 n LYS 730 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3hs0 n LEU 731 N 1.51 0.60 0.29 -0.35 4.77 -1.03 -4.87 117.00 117.92 3hs0 n LEU 731 Ca 0.20 -0.60 0.18 0.00 -0.03 0.00 0.00 56.01 55.77 3hs0 n LEU 731 Cb 0.61 0.00 0.92 0.00 -2.33 0.00 0.00 43.42 42.61 3hs0 n LEU 731 CO 0.16 0.15 1.15 0.06 -1.33 0.00 0.00 177.39 177.58 3hs0 h GLN 732 N 0.00 0.00 -2.10 3.23 3.07 -1.64 -2.44 115.11 115.23 3hs0 h GLN 732 Ca 0.00 0.00 -0.77 0.00 0.09 0.00 0.00 58.65 57.97 3hs0 h GLN 732 Cb 0.52 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 27.79 3hs0 h GLN 732 CO 0.00 0.00 0.84 -0.25 0.09 0.00 0.00 178.83 179.51 3hs0 n ASP 733 N -3.21 7.10 0.00 0.06 9.92 -1.26 -4.59 116.55 124.57 3hs0 n ASP 733 Ca -0.01 -3.76 0.00 0.00 -0.53 0.00 0.00 54.79 50.50 3hs0 n ASP 733 Cb 0.31 -1.05 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 3hs0 n ASP 733 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 3hs0 n GLU 734 N -0.30 -0.16 -0.83 -1.24 -0.58 -0.92 -5.00 120.64 111.60 3hs0 n GLU 734 Ca 0.48 -0.16 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 3hs0 n GLU 734 Cb 0.28 -0.61 0.00 0.00 -0.57 0.00 0.00 31.44 30.54 3hs0 n GLU 734 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hs0 n ASP 735 N -0.01 -2.38 0.06 1.62 9.92 -1.26 -4.82 116.55 119.68 3hs0 n ASP 735 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.21 3hs0 n ASP 735 Cb 0.21 -2.01 0.14 0.00 -0.64 0.00 0.00 41.12 38.82 3hs0 n ASP 735 CO 0.00 0.00 0.00 -0.07 0.13 0.00 0.00 177.20 177.26 3hs0 h LEU 736 N 0.00 0.36 -1.98 0.64 3.38 -1.92 -3.49 115.31 112.31 3hs0 h LEU 736 Ca 0.00 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hs0 h LEU 736 Cb 0.31 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 40.88 3hs0 h LEU 736 CO 0.00 0.81 -1.28 0.61 0.09 0.00 0.00 178.44 178.67 3hs0 n GLY 737 N 0.08 -5.31 0.00 0.83 0.00 -1.26 -3.81 105.19 95.72 3hs0 n GLY 737 Ca -0.02 1.08 0.00 0.00 0.00 0.00 0.00 46.02 47.08 3hs0 n GLY 737 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hs0 n PHE 738 N 1.61 0.00 0.00 1.61 0.99 -1.26 0.08 117.46 120.48 3hs0 n PHE 738 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.19 3hs0 n PHE 738 Cb 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.88 3hs0 n PHE 738 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3hs0 n LEU 739 N 0.00 0.00 0.00 4.37 4.77 -1.23 -4.55 117.00 120.36 3hs0 n LEU 739 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hs0 n LEU 739 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hs0 n LEU 739 CO 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 177.39 176.08