#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3x s LYS 4 N 0.00 4.45 0.26 0.00 -2.85 -1.26 -4.99 119.74 115.35 3h3x s LYS 4 Ca 0.00 2.04 -0.30 0.00 -1.00 0.00 0.00 55.97 56.71 3h3x s LYS 4 Cb 0.00 -3.15 -0.10 0.00 -2.06 0.00 0.00 37.83 32.52 3h3x s LYS 4 CO 0.00 -0.10 1.49 -1.58 0.10 0.00 0.00 175.35 175.27 3h3x s HIS 5 N -0.69 2.93 -0.19 1.78 5.65 -1.26 -5.02 115.29 118.49 3h3x s HIS 5 Ca 0.50 0.94 -0.07 0.00 0.25 0.00 0.00 55.06 56.68 3h3x s HIS 5 Cb -0.36 -3.91 -0.04 0.00 -1.18 0.00 0.00 32.58 27.09 3h3x s HIS 5 CO 0.44 -3.00 0.06 1.03 -0.65 0.00 0.00 174.74 172.62 3h3x s ARG 6 N -0.40 3.92 0.13 2.88 0.52 -1.26 -5.06 118.95 119.67 3h3x s ARG 6 Ca 0.61 -0.37 -0.34 0.00 -0.52 0.00 0.00 55.73 55.10 3h3x s ARG 6 Cb -0.44 -3.21 -0.14 0.00 0.52 0.00 0.00 34.95 31.68 3h3x s ARG 6 CO 0.45 0.21 1.59 -2.30 0.02 0.00 0.00 175.30 175.27 3h3x n PRO 7 N 3.72 2.09 -2.45 3.54 -0.02 -1.26 -3.82 135.00 136.80 3h3x n PRO 7 Ca -0.16 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.65 3h3x n PRO 7 Cb 0.52 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 3h3x n PRO 7 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3h3x s SER 8 N 1.19 7.11 -0.16 2.55 0.15 -1.26 -0.65 113.70 122.63 3h3x s SER 8 Ca 0.80 1.97 0.01 0.00 0.70 0.00 0.00 55.95 59.43 3h3x s SER 8 Cb -0.70 -2.58 0.02 0.00 -1.71 0.00 0.00 66.02 61.06 3h3x s SER 8 CO 0.40 -0.46 -0.17 -0.69 1.20 0.00 0.00 173.24 173.52 3h3x s VAL 9 N 1.14 1.76 -0.22 4.45 1.01 0.50 -0.48 120.40 128.55 3h3x s VAL 9 Ca 0.58 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 3h3x s VAL 9 Cb -0.28 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 3h3x s VAL 9 CO 0.29 0.49 0.17 -0.69 0.00 0.00 0.00 175.10 175.36 3h3x s VAL 10 N 1.37 5.36 -0.20 2.92 1.01 0.40 -0.95 120.40 130.31 3h3x s VAL 10 Ca 0.04 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 3h3x s VAL 10 Cb -0.13 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.74 3h3x s VAL 10 CO -0.11 0.37 -0.11 0.86 0.00 0.00 0.00 175.10 176.11 3h3x s TRP 11 N 0.88 2.88 -0.00 5.22 -0.11 -0.85 -0.15 118.94 126.81 3h3x s TRP 11 Ca 0.09 -1.20 0.01 0.00 1.22 0.00 0.00 56.10 56.22 3h3x s TRP 11 Cb -0.13 -2.03 -0.04 0.00 -1.50 0.00 0.00 33.47 29.78 3h3x s TRP 11 CO 0.03 -0.64 -0.00 -0.51 -4.62 0.00 0.00 176.95 171.21 3h3x s LEU 12 N 1.37 3.49 -0.18 5.86 1.43 0.22 -4.27 118.68 126.61 3h3x s LEU 12 Ca 0.05 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 3h3x s LEU 12 Cb -0.14 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.07 3h3x s LEU 12 CO -0.07 0.28 -0.08 -1.00 0.23 0.00 0.00 176.35 175.72 3h3x s HIS 13 N -1.07 2.91 0.00 0.29 3.76 -1.26 -1.65 115.29 118.27 3h3x s HIS 13 Ca 0.19 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 3h3x s HIS 13 Cb -0.11 -1.99 0.00 0.00 1.11 0.00 0.00 32.58 31.59 3h3x s HIS 13 CO 0.10 -0.36 0.00 0.09 -0.85 0.00 0.00 174.74 173.72 3h3x n ASN 14 N 4.15 0.00 -4.55 1.40 5.03 0.23 -4.98 115.26 116.54 3h3x n ASN 14 Ca -0.18 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.86 3h3x n ASN 14 Cb 0.52 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.25 3h3x n ASN 14 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3h3x s ALA 15 N -2.37 2.78 0.12 5.41 0.00 -0.07 -4.87 121.76 122.76 3h3x s ALA 15 Ca 0.00 -2.32 -0.05 0.00 0.00 0.00 0.00 51.96 49.59 3h3x s ALA 15 Cb 0.00 -4.50 -0.02 0.00 0.00 0.00 0.00 23.12 18.60 3h3x s ALA 15 CO 0.00 -3.56 0.14 -1.83 0.00 0.00 0.00 175.76 170.51 3h3x s GLU 16 N 4.78 0.93 0.00 0.00 4.04 -1.26 -0.79 118.70 126.41 3h3x s GLU 16 Ca 0.45 -1.23 0.22 0.00 0.04 0.00 0.00 54.97 54.44 3h3x s GLU 16 Cb -0.00 0.30 0.13 0.00 0.02 0.00 0.00 34.13 34.57 3h3x s GLU 16 CO -0.09 -0.29 1.15 0.00 -1.84 0.00 0.00 175.26 174.18 3h3x n THR 18 N 0.92 0.00 0.23 0.00 -1.04 -1.26 -4.89 114.28 108.23 3h3x n THR 18 Ca 0.12 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.21 3h3x n THR 18 Cb 0.52 -0.16 0.54 0.00 -1.82 0.00 0.00 70.33 69.41 3h3x n THR 18 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 3h3x h GLY 19 N 0.00 0.00 1.46 3.41 0.00 -1.98 -0.90 103.07 105.05 3h3x h GLY 19 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3h3x h GLY 19 CO 0.00 0.00 -1.04 0.00 0.00 0.00 0.00 176.54 175.50 3h3x h THR 21 N 0.24 1.22 -0.52 0.00 2.02 -1.87 0.28 112.91 114.29 3h3x h THR 21 Ca -0.11 -0.68 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 3h3x h THR 21 Cb 1.70 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 3h3x h THR 21 CO 0.19 0.26 -0.02 -0.33 0.37 0.00 0.00 175.52 175.99 3h3x h GLU 22 N 0.78 0.89 -0.23 6.66 4.39 -0.95 -2.47 114.58 123.65 3h3x h GLU 22 Ca 0.19 -0.26 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 3h3x h GLU 22 Cb 0.19 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3h3x h GLU 22 CO -0.02 0.89 0.03 0.00 -1.16 0.00 0.00 179.01 178.76 3h3x h ALA 23 N 1.16 0.30 -0.51 3.43 0.00 -0.13 -3.10 119.26 120.41 3h3x h ALA 23 Ca 0.15 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.97 3h3x h ALA 23 Cb 0.51 -0.09 -0.10 0.00 0.00 0.00 0.00 17.79 18.11 3h3x h ALA 23 CO 0.03 -0.01 -0.25 0.00 0.00 0.00 0.00 179.25 179.02 3h3x h ALA 24 N 0.83 0.09 0.00 0.00 0.00 -0.76 -2.04 119.26 117.38 3h3x h ALA 24 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3h3x h ALA 24 Cb 0.34 0.61 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3h3x h ALA 24 CO 0.01 -0.59 0.00 0.44 0.00 0.00 0.00 179.25 179.11 3h3x n ILE 25 N -5.42 0.00 1.52 0.00 -5.35 -0.95 -1.71 119.36 107.46 3h3x n ILE 25 Ca 0.04 0.00 0.15 0.00 -0.27 0.00 0.00 62.75 62.67 3h3x n ILE 25 Cb 0.33 -0.61 0.69 0.00 -1.74 0.00 0.00 39.64 38.31 3h3x n ILE 25 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3h3x n ARG 26 N -0.94 0.77 -1.69 6.28 5.12 -0.77 -4.71 116.66 120.72 3h3x n ARG 26 Ca 0.14 -0.20 -0.44 0.00 -1.93 0.00 0.00 57.85 55.42 3h3x n ARG 26 Cb 0.06 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.85 3h3x n ARG 26 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 3h3x n THR 27 N -0.94 1.21 0.15 0.55 5.66 -0.69 -4.92 114.28 115.29 3h3x n THR 27 Ca 0.16 -0.30 0.02 0.00 -3.05 0.00 0.00 64.05 60.88 3h3x n THR 27 Cb 0.25 -1.58 0.01 0.00 -1.55 0.00 0.00 70.33 67.46 3h3x n THR 27 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 175.07 174.32 3h3x n ILE 28 N 1.58 0.00 -3.32 1.09 -5.35 -1.26 -3.93 119.36 108.17 3h3x n ILE 28 Ca 0.09 -0.49 -0.26 0.00 -0.27 0.00 0.00 62.75 61.82 3h3x n ILE 28 Cb 0.33 1.07 -0.09 0.00 -1.74 0.00 0.00 39.64 39.22 3h3x n ILE 28 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 3h3x n LYS 29 N 0.12 0.43 -2.53 6.28 4.81 -1.26 -3.79 118.16 122.22 3h3x n LYS 29 Ca 0.02 -3.22 -0.24 0.00 -0.87 0.00 0.00 58.31 54.00 3h3x n LYS 29 Cb 0.09 -1.50 0.09 0.00 0.02 0.00 0.00 35.03 33.73 3h3x n LYS 29 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 3h3x s PRO 30 N -0.48 1.87 0.70 1.64 0.04 -1.26 -4.96 135.00 132.55 3h3x s PRO 30 Ca 0.34 -0.92 -0.15 0.00 0.04 0.00 0.00 61.00 60.30 3h3x s PRO 30 Cb 0.09 -2.33 0.02 0.00 0.04 0.00 0.00 34.50 32.32 3h3x s PRO 30 CO -0.16 -1.31 1.18 0.71 0.04 0.00 0.00 177.00 177.46 3h3x s TYR 31 N -3.10 2.24 0.41 0.56 2.02 -1.25 -4.73 117.35 113.49 3h3x s TYR 31 Ca 0.64 1.58 0.14 0.00 -0.37 0.00 0.00 57.07 59.06 3h3x s TYR 31 Cb -0.07 -3.40 1.00 0.00 -0.40 0.00 0.00 41.96 39.10 3h3x s TYR 31 CO 0.43 -2.32 1.89 0.97 -1.57 0.00 0.00 175.55 174.95 3h3x h ILE 32 N -0.07 0.78 -0.24 2.71 6.09 -1.85 -1.42 117.51 123.51 3h3x h ILE 32 Ca -0.48 -0.16 -0.03 0.00 -1.37 0.00 0.00 64.86 62.82 3h3x h ILE 32 Cb 1.28 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.82 3h3x h ILE 32 CO 0.51 0.09 0.04 -2.24 -3.07 0.00 0.00 178.15 173.48 3h3x h ASP 33 N 0.48 0.39 -0.61 2.19 2.03 -1.95 -0.91 116.42 118.04 3h3x h ASP 33 Ca 0.41 -0.26 0.04 0.00 -0.73 0.00 0.00 57.03 56.49 3h3x h ASP 33 Cb 0.89 -0.10 -0.04 0.00 -0.83 0.00 0.00 39.33 39.24 3h3x h ASP 33 CO -0.15 0.55 0.36 0.00 -1.03 0.00 0.00 179.24 178.96 3h3x h ALA 34 N 0.85 0.79 -0.02 4.15 0.00 -1.68 -0.38 119.26 122.97 3h3x h ALA 34 Ca 0.07 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3h3x h ALA 34 Cb 0.33 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3h3x h ALA 34 CO 0.00 0.07 -0.22 1.25 0.00 0.00 0.00 179.25 180.35 3h3x h LEU 35 N 0.69 -0.66 0.00 0.00 5.85 -1.08 -0.33 115.31 119.78 3h3x h LEU 35 Ca 0.25 0.10 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3h3x h LEU 35 Cb 0.08 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3h3x h LEU 35 CO -0.13 -0.29 -0.21 2.30 -0.34 0.00 0.00 178.44 179.78 3h3x n ILE 36 N -5.35 0.36 -0.07 4.05 -5.35 -0.36 -0.87 119.36 111.77 3h3x n ILE 36 Ca -0.04 -0.20 -0.05 0.00 -0.27 0.00 0.00 62.75 62.19 3h3x n ILE 36 Cb 0.26 -0.37 -0.16 0.00 -1.74 0.00 0.00 39.64 37.64 3h3x n ILE 36 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3h3x n LEU 37 N -2.00 0.11 -0.03 7.28 4.77 -0.18 -4.60 117.00 122.36 3h3x n LEU 37 Ca 0.05 0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 56.05 3h3x n LEU 37 Cb 0.41 0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 41.81 3h3x n LEU 37 CO 0.32 0.36 -0.69 0.47 -1.33 0.00 0.00 177.39 176.52 3h3x n ASP 38 N -2.67 3.56 -0.14 -1.43 8.00 -0.14 -4.94 116.55 118.80 3h3x n ASP 38 Ca -0.24 -0.03 -0.28 0.00 0.71 0.00 0.00 54.79 54.95 3h3x n ASP 38 Cb 1.00 -0.06 -0.10 0.00 -0.02 0.00 0.00 41.12 41.94 3h3x n ASP 38 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3h3x n THR 39 N -2.65 1.50 -4.44 -3.53 -1.04 -0.05 -4.97 114.28 99.11 3h3x n THR 39 Ca -0.10 -0.40 -0.26 0.00 -2.04 0.00 0.00 64.05 61.25 3h3x n THR 39 Cb 0.61 -1.82 -0.10 0.00 -1.82 0.00 0.00 70.33 67.20 3h3x n THR 39 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3h3x s ILE 40 N -2.50 2.31 -0.42 12.58 -4.36 -0.27 -4.17 121.20 124.37 3h3x s ILE 40 Ca -0.38 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 57.93 3h3x s ILE 40 Cb 0.14 -2.84 0.09 0.00 1.25 0.00 0.00 42.46 41.10 3h3x s ILE 40 CO 0.49 -0.12 0.26 -0.55 0.24 0.00 0.00 174.94 175.26 3h3x s SER 41 N -3.71 5.59 -0.71 4.36 0.15 0.17 -4.41 113.70 115.13 3h3x s SER 41 Ca 0.35 -1.60 -0.26 0.00 0.70 0.00 0.00 55.95 55.14 3h3x s SER 41 Cb 0.04 -1.97 0.04 0.00 -1.71 0.00 0.00 66.02 62.42 3h3x s SER 41 CO 0.19 -0.55 1.23 -0.22 1.20 0.00 0.00 173.24 175.08 3h3x s LEU 42 N 1.38 3.36 0.00 3.45 2.96 -1.26 -0.37 118.68 128.20 3h3x s LEU 42 Ca 0.04 -0.46 0.22 0.00 -0.22 0.00 0.00 54.13 53.70 3h3x s LEU 42 Cb -0.23 -2.60 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 3h3x s LEU 42 CO 0.01 -1.74 1.05 0.47 -1.32 0.00 0.00 176.35 174.81 3h3x n ASP 43 N 9.05 1.34 -3.64 3.68 8.00 -0.12 -4.83 116.55 130.04 3h3x n ASP 43 Ca 0.03 -1.13 -0.05 0.00 0.71 0.00 0.00 54.79 54.35 3h3x n ASP 43 Cb 0.49 0.70 -0.06 0.00 -0.02 0.00 0.00 41.12 42.22 3h3x n ASP 43 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3h3x s TYR 44 N -2.78 -1.00 -0.34 1.24 5.04 -1.25 -4.65 117.35 113.61 3h3x s TYR 44 Ca 0.13 1.96 -0.01 0.00 -2.44 0.00 0.00 57.07 56.71 3h3x s TYR 44 Cb 0.17 0.60 0.19 0.00 0.35 0.00 0.00 41.96 43.27 3h3x s TYR 44 CO 0.73 -0.50 0.82 -1.14 -1.34 0.00 0.00 175.55 174.13 3h3x s GLN 45 N 1.75 0.45 0.47 4.97 -0.44 -1.26 -2.00 119.66 123.60 3h3x s GLN 45 Ca -0.09 0.04 0.14 0.00 -2.50 0.00 0.00 55.36 52.96 3h3x s GLN 45 Cb -0.06 0.10 1.11 0.00 -1.64 0.00 0.00 33.01 32.53 3h3x s GLN 45 CO -0.19 -0.71 2.06 0.93 0.50 0.00 0.00 175.29 177.87 3h3x h GLU 46 N 6.81 0.25 -0.72 1.67 5.08 -1.94 -0.51 114.58 125.22 3h3x h GLU 46 Ca -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3h3x h GLU 46 Cb 1.20 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 3h3x h GLU 46 CO 0.02 0.17 0.34 1.15 -1.00 0.00 0.00 179.01 179.69 3h3x h THR 47 N 0.26 1.23 0.00 1.13 2.02 -1.97 -3.36 112.91 112.22 3h3x h THR 47 Ca 0.16 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3h3x h THR 47 Cb 0.29 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3h3x h THR 47 CO -0.03 0.27 -0.01 2.30 0.37 0.00 0.00 175.52 178.42 3h3x n ILE 48 N -4.33 0.00 -2.16 3.11 -5.35 -0.69 -5.06 119.36 104.88 3h3x n ILE 48 Ca 0.07 -0.45 -0.34 0.00 -0.27 0.00 0.00 62.75 61.75 3h3x n ILE 48 Cb 0.14 0.99 0.01 0.00 -1.74 0.00 0.00 39.64 39.04 3h3x n ILE 48 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h3x s MET 49 N -0.93 3.26 0.01 6.28 0.23 -0.29 -4.97 119.30 122.89 3h3x s MET 49 Ca 0.00 1.54 -0.19 0.00 -1.03 0.00 0.00 55.69 56.01 3h3x s MET 49 Cb 0.00 -2.00 -0.27 0.00 -1.53 0.00 0.00 34.83 31.04 3h3x s MET 49 CO 0.00 -0.91 1.06 0.00 -2.03 0.00 0.00 175.02 173.14 3h3x h ALA 50 N 0.94 0.02 -3.00 3.16 0.00 -1.95 -3.46 119.26 114.98 3h3x h ALA 50 Ca -0.49 -0.65 -0.55 0.00 0.00 0.00 0.00 54.91 53.22 3h3x h ALA 50 Cb 1.26 0.07 0.13 0.00 0.00 0.00 0.00 17.79 19.24 3h3x h ALA 50 CO 0.56 0.45 0.67 0.00 0.00 0.00 0.00 179.25 180.94 3h3x s ALA 51 N -2.98 3.09 0.28 0.00 0.00 -1.26 -5.04 121.76 115.84 3h3x s ALA 51 Ca -0.12 1.43 0.05 0.00 0.00 0.00 0.00 51.96 53.32 3h3x s ALA 51 Cb 0.04 -3.59 -0.06 0.00 0.00 0.00 0.00 23.12 19.51 3h3x s ALA 51 CO 0.86 -1.27 -0.02 0.00 0.00 0.00 0.00 175.76 175.33 3h3x s ALA 52 N -1.24 2.20 0.00 0.00 0.00 -1.26 -4.48 121.76 116.99 3h3x s ALA 52 Ca 0.65 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.71 3h3x s ALA 52 Cb -0.43 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3h3x s ALA 52 CO 0.53 -0.17 0.00 0.41 0.00 0.00 0.00 175.76 176.54 3h3x n GLY 53 N -0.56 3.18 0.31 0.00 0.00 -1.26 -1.83 105.19 105.03 3h3x n GLY 53 Ca -0.05 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 45.92 3h3x n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3h3x h GLU 54 N 0.00 0.66 -0.18 1.61 5.08 -1.98 0.09 114.58 119.85 3h3x h GLU 54 Ca 0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3h3x h GLU 54 Cb 0.00 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3h3x h GLU 54 CO 0.00 0.48 0.10 0.00 -1.00 0.00 0.00 179.01 178.60 3h3x h ALA 55 N 1.63 0.23 -0.39 3.43 0.00 -1.79 0.60 119.26 122.97 3h3x h ALA 55 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3h3x h ALA 55 Cb 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3h3x h ALA 55 CO -0.03 -0.24 0.16 0.00 0.00 0.00 0.00 179.25 179.14 3h3x h ALA 56 N 1.00 0.50 -0.58 0.00 0.00 -0.54 -2.61 119.26 117.04 3h3x h ALA 56 Ca 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3h3x h ALA 56 Cb 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3h3x h ALA 56 CO -0.01 0.10 0.13 1.49 0.00 0.00 0.00 179.25 180.97 3h3x h GLU 57 N 0.48 0.90 -0.21 0.00 4.81 -0.83 -1.71 114.58 118.02 3h3x h GLU 57 Ca 0.13 -0.19 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 3h3x h GLU 57 Cb 0.18 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3h3x h GLU 57 CO -0.01 0.81 -0.07 0.00 -0.73 0.00 0.00 179.01 179.01 3h3x h ALA 58 N 1.29 1.50 -0.34 2.92 0.00 -0.80 -2.13 119.26 121.69 3h3x h ALA 58 Ca 0.19 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3h3x h ALA 58 Cb 0.32 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3h3x h ALA 58 CO -0.00 0.36 -0.36 0.00 0.00 0.00 0.00 179.25 179.25 3h3x h ALA 59 N 1.62 0.72 0.13 0.00 0.00 -0.94 -1.53 119.26 119.27 3h3x h ALA 59 Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3h3x h ALA 59 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3h3x h ALA 59 CO 0.01 0.66 -0.06 1.25 0.00 0.00 0.00 179.25 181.11 3h3x h LEU 60 N 0.66 -0.15 -1.76 0.00 5.85 -1.13 -1.62 115.31 117.16 3h3x h LEU 60 Ca 0.06 -0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3h3x h LEU 60 Cb 0.91 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.97 3h3x h LEU 60 CO 0.08 -0.02 0.18 0.45 -0.34 0.00 0.00 178.44 178.79 3h3x h HIS 61 N -0.28 0.31 -0.30 1.25 3.86 -1.35 0.39 115.15 119.04 3h3x h HIS 61 Ca -0.02 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.10 3h3x h HIS 61 Cb 0.22 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3h3x h HIS 61 CO -0.04 0.19 -0.18 1.96 0.86 0.00 0.00 177.93 180.72 3h3x h GLN 62 N 0.33 0.65 -0.28 2.45 4.20 -1.12 -2.46 115.11 118.89 3h3x h GLN 62 Ca 0.10 -0.30 -0.12 0.00 0.06 0.00 0.00 58.65 58.39 3h3x h GLN 62 Cb 0.01 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3h3x h GLN 62 CO -0.02 0.89 -0.32 0.00 -0.67 0.00 0.00 178.83 178.71 3h3x h ALA 63 N 0.74 0.93 0.00 3.87 0.00 -0.22 -2.35 119.26 122.23 3h3x h ALA 63 Ca 0.06 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 3h3x h ALA 63 Cb 0.72 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3h3x h ALA 63 CO 0.05 0.62 -0.38 -0.07 0.00 0.00 0.00 179.25 179.47 3h3x h LEU 64 N 0.50 0.00 -1.93 0.00 3.38 -0.98 -2.77 115.31 113.51 3h3x h LEU 64 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3h3x h LEU 64 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3h3x h LEU 64 CO 0.07 0.38 0.00 -0.62 0.09 0.00 0.00 178.44 178.36 3h3x n GLU 65 N -3.70 2.27 -1.72 1.13 -0.58 -0.93 -4.99 120.64 112.12 3h3x n GLU 65 Ca -0.01 -1.91 -0.42 0.00 -0.42 0.00 0.00 57.16 54.41 3h3x n GLU 65 Cb 0.47 -1.48 -0.00 0.00 -0.57 0.00 0.00 31.44 29.86 3h3x n GLU 65 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3h3x n GLY 66 N 1.39 0.80 0.31 0.62 0.00 -0.90 -4.90 105.19 102.50 3h3x n GLY 66 Ca 0.18 0.32 -0.00 0.00 0.00 0.00 0.00 46.02 46.51 3h3x n GLY 66 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3x h LYS 67 N 2.70 0.94 -0.45 1.61 6.56 -1.91 -2.89 116.57 123.13 3h3x h LYS 67 Ca -0.48 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 59.06 3h3x h LYS 67 Cb 1.27 -0.21 0.00 0.00 -0.57 0.00 0.00 32.23 32.72 3h3x h LYS 67 CO 0.63 0.62 0.00 -0.25 -2.06 0.00 0.00 179.45 178.39 3h3x n ASP 68 N -4.62 2.28 -0.75 0.86 8.00 -1.26 -5.04 116.55 116.02 3h3x n ASP 68 Ca 0.11 -2.07 0.07 0.00 0.71 0.00 0.00 54.79 53.61 3h3x n ASP 68 Cb 0.15 -0.31 -0.02 0.00 -0.02 0.00 0.00 41.12 40.93 3h3x n ASP 68 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3x n GLY 69 N 1.01 -1.79 3.50 0.44 0.00 -1.09 -4.95 105.19 102.30 3h3x n GLY 69 Ca 0.13 -1.25 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 3h3x n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h3x s TYR 70 N -1.01 -0.05 0.04 1.61 -0.85 -1.26 -4.42 117.35 111.41 3h3x s TYR 70 Ca 0.00 -0.30 0.03 0.00 -0.52 0.00 0.00 57.07 56.28 3h3x s TYR 70 Cb 0.00 0.33 -0.04 0.00 0.38 0.00 0.00 41.96 42.63 3h3x s TYR 70 CO 0.00 -0.89 0.03 0.71 -1.52 0.00 0.00 175.55 173.88 3h3x s TYR 71 N -3.89 3.10 -0.23 -3.49 2.02 0.36 -0.90 117.35 114.33 3h3x s TYR 71 Ca 0.10 0.06 -0.06 0.00 -0.37 0.00 0.00 57.07 56.80 3h3x s TYR 71 Cb -0.00 -1.63 -0.02 0.00 -0.40 0.00 0.00 41.96 39.91 3h3x s TYR 71 CO -0.03 0.49 0.03 -1.17 -1.57 0.00 0.00 175.55 173.30 3h3x s LEU 72 N -2.00 3.30 -0.18 -1.29 2.96 -0.68 -0.45 118.68 120.34 3h3x s LEU 72 Ca 0.24 -0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 53.86 3h3x s LEU 72 Cb -0.12 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3h3x s LEU 72 CO 0.16 0.01 0.04 -0.69 -1.32 0.00 0.00 176.35 174.55 3h3x s VAL 73 N 1.34 4.55 -0.10 1.68 1.01 0.79 -0.50 120.40 129.17 3h3x s VAL 73 Ca 0.05 -0.12 0.04 0.00 0.00 0.00 0.00 61.98 61.94 3h3x s VAL 73 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3h3x s VAL 73 CO 0.02 0.45 -0.23 -0.69 0.00 0.00 0.00 175.10 174.65 3h3x s VAL 74 N 0.50 1.98 -0.11 2.92 1.01 -0.01 -0.61 120.40 126.09 3h3x s VAL 74 Ca 0.02 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.06 3h3x s VAL 74 Cb -0.13 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.53 3h3x s VAL 74 CO 0.01 0.54 -0.22 -0.70 0.00 0.00 0.00 175.10 174.74 3h3x s GLU 75 N 0.46 2.88 0.00 2.72 2.12 -0.66 -1.45 118.70 124.76 3h3x s GLU 75 Ca -0.16 -0.81 0.00 0.00 0.36 0.00 0.00 54.97 54.35 3h3x s GLU 75 Cb -0.17 -2.24 0.00 0.00 0.26 0.00 0.00 34.13 31.97 3h3x s GLU 75 CO 0.07 0.09 0.00 0.41 -0.54 0.00 0.00 175.26 175.29 3h3x n GLY 76 N 3.76 1.68 3.95 -1.50 0.00 -1.26 -0.60 105.19 111.22 3h3x n GLY 76 Ca -0.20 -1.83 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 3h3x n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h3x s GLY 77 N -0.43 1.79 -0.27 -0.02 0.00 0.03 -3.30 107.32 105.12 3h3x s GLY 77 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 44.72 43.36 3h3x s GLY 77 CO 0.00 -0.63 -0.08 1.08 0.00 0.00 0.00 173.10 173.48 3h3x s LEU 78 N -5.73 3.49 -0.15 0.66 1.43 0.09 -0.89 118.68 117.58 3h3x s LEU 78 Ca 0.73 -1.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.27 3h3x s LEU 78 Cb -0.04 -1.61 -0.01 0.00 0.03 0.00 0.00 46.19 44.56 3h3x s LEU 78 CO 0.51 -0.20 1.14 -2.16 0.23 0.00 0.00 176.35 175.87 3h3x s PRO 79 N 1.18 4.30 -0.01 1.29 0.04 -1.26 -0.95 135.00 139.59 3h3x s PRO 79 Ca -0.06 1.52 0.14 0.00 0.04 0.00 0.00 61.00 62.64 3h3x s PRO 79 Cb -0.19 -3.65 -0.18 0.00 0.04 0.00 0.00 34.50 30.53 3h3x s PRO 79 CO -0.04 -0.56 0.50 0.25 0.04 0.00 0.00 177.00 177.19 3h3x n THR 80 N 5.06 0.00 -1.32 1.26 -2.24 -0.54 -4.18 114.28 112.32 3h3x n THR 80 Ca 0.12 -0.23 -0.35 0.00 -2.27 0.00 0.00 64.05 61.32 3h3x n THR 80 Cb 0.46 0.71 0.10 0.00 -2.10 0.00 0.00 70.33 69.50 3h3x n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h3x n ILE 81 N -1.56 2.88 -4.04 2.28 3.06 -0.85 -2.49 119.36 118.63 3h3x n ILE 81 Ca 0.01 -0.33 -0.32 0.00 -2.50 0.00 0.00 62.75 59.61 3h3x n ILE 81 Cb 0.27 -1.20 -0.00 0.00 0.54 0.00 0.00 39.64 39.26 3h3x n ILE 81 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 3h3x n ASP 82 N -2.26 -3.53 -2.45 9.51 8.00 -1.26 -1.74 116.55 122.81 3h3x n ASP 82 Ca 0.14 -0.90 -0.19 0.00 0.71 0.00 0.00 54.79 54.55 3h3x n ASP 82 Cb 0.50 -3.33 0.02 0.00 -0.02 0.00 0.00 41.12 38.29 3h3x n ASP 82 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3x n GLY 83 N -1.59 -0.34 2.14 0.44 0.00 -1.16 -2.61 105.19 102.06 3h3x n GLY 83 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 3h3x n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 84 N -1.32 0.51 0.23 -0.02 0.00 -0.71 -4.87 105.19 99.01 3h3x n GLY 84 Ca -0.12 -0.37 0.15 0.00 0.00 0.00 0.00 46.02 45.68 3h3x n GLY 84 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3h3x n GLN 85 N -2.55 1.27 0.00 1.61 6.02 -1.07 -3.28 117.38 119.37 3h3x n GLN 85 Ca -0.01 -0.46 0.14 0.00 -0.01 0.00 0.00 57.00 56.66 3h3x n GLN 85 Cb 0.10 -1.49 0.64 0.00 1.02 0.00 0.00 30.24 30.51 3h3x n GLN 85 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 3h3x n TRP 86 N -0.46 0.00 -3.44 1.08 7.02 -1.26 -4.56 117.44 115.83 3h3x n TRP 86 Ca 0.21 0.00 -0.16 0.00 -1.02 0.00 0.00 57.50 56.53 3h3x n TRP 86 Cb 0.24 -0.07 -0.11 0.00 -2.42 0.00 0.00 31.31 28.95 3h3x n TRP 86 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 3h3x s GLY 87 N -2.20 -0.13 0.03 6.99 0.00 -1.21 -5.04 107.32 105.77 3h3x s GLY 87 Ca 0.36 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.36 3h3x s GLY 87 CO 0.40 2.40 -0.07 1.06 0.00 0.00 0.00 173.10 176.88 3h3x s MET 88 N 2.38 0.52 -0.04 2.90 -1.94 -1.26 -0.94 119.30 120.92 3h3x s MET 88 Ca 0.09 -0.63 0.01 0.00 -1.71 0.00 0.00 55.69 53.45 3h3x s MET 88 Cb -0.15 -0.35 0.02 0.00 2.01 0.00 0.00 34.83 36.36 3h3x s MET 88 CO -0.18 0.07 -0.03 0.08 -0.01 0.00 0.00 175.02 174.95 3h3x s VAL 89 N -1.07 0.43 -1.60 -6.03 1.01 -0.27 -4.82 120.40 108.06 3h3x s VAL 89 Ca -0.07 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3h3x s VAL 89 Cb -0.08 -0.48 0.00 0.00 0.00 0.00 0.00 36.38 35.82 3h3x s VAL 89 CO 0.00 0.20 0.00 0.00 0.00 0.00 0.00 175.10 175.31 3h3x n ALA 90 N 4.11 -0.64 -0.86 5.51 0.00 -1.26 -1.38 120.51 125.99 3h3x n ALA 90 Ca -0.25 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3h3x n ALA 90 Cb 0.51 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.98 3h3x n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3x n GLY 91 N -0.90 0.54 3.27 0.00 0.00 -1.26 -5.03 105.19 101.80 3h3x n GLY 91 Ca -0.21 -0.29 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3h3x n GLY 91 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h3x s HIS 92 N -2.00 2.63 0.24 1.61 0.09 -0.48 -5.10 115.29 112.27 3h3x s HIS 92 Ca 0.00 -0.91 -0.31 0.00 -0.00 0.00 0.00 55.06 53.84 3h3x s HIS 92 Cb 0.00 -1.74 -0.14 0.00 -0.00 0.00 0.00 32.58 30.70 3h3x s HIS 92 CO 0.00 -0.34 1.21 -2.30 -0.00 0.00 0.00 174.74 173.31 3h3x n PRO 93 N 3.48 1.56 -0.29 8.40 -0.02 -1.26 -1.11 135.00 145.75 3h3x n PRO 93 Ca -0.19 0.55 -0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3h3x n PRO 93 Cb 0.53 -2.08 0.12 0.00 -0.02 0.00 0.00 33.50 32.06 3h3x n PRO 93 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 3h3x h MET 94 N 3.23 0.92 -0.85 -0.52 2.86 -1.18 -1.54 114.93 117.84 3h3x h MET 94 Ca -0.43 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 57.24 3h3x h MET 94 Cb 1.32 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 32.71 3h3x h MET 94 CO 0.69 0.61 0.55 0.97 1.06 0.00 0.00 176.91 180.79 3h3x h ILE 95 N 0.94 1.00 -0.61 -1.22 2.10 -1.85 -0.23 117.51 117.64 3h3x h ILE 95 Ca 0.35 -0.30 -0.09 0.00 1.08 0.00 0.00 64.86 65.90 3h3x h ILE 95 Cb 0.12 0.05 -0.02 0.00 -1.09 0.00 0.00 36.82 35.88 3h3x h ILE 95 CO -0.16 0.16 0.02 -0.08 -1.08 0.00 0.00 178.15 177.02 3h3x h GLU 96 N 0.88 1.07 0.01 2.19 4.81 -1.65 -0.98 114.58 120.90 3h3x h GLU 96 Ca 0.38 -0.33 -0.26 0.00 -0.13 0.00 0.00 59.36 59.03 3h3x h GLU 96 Cb 0.33 -0.10 0.02 0.00 0.63 0.00 0.00 28.75 29.62 3h3x h GLU 96 CO -0.15 1.03 -1.03 1.15 -0.73 0.00 0.00 179.01 179.28 3h3x h THR 97 N 0.97 1.32 -0.49 0.32 2.02 -1.15 -2.30 112.91 113.60 3h3x h THR 97 Ca 0.18 -2.33 -0.13 0.00 0.77 0.00 0.00 66.41 64.90 3h3x h THR 97 Cb 0.53 2.41 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 3h3x h THR 97 CO 0.03 0.71 -0.20 0.74 0.37 0.00 0.00 175.52 177.17 3h3x h THR 98 N 0.34 1.27 -0.35 3.16 2.02 -1.02 -1.29 112.91 117.03 3h3x h THR 98 Ca -0.12 -1.37 0.04 0.00 0.77 0.00 0.00 66.41 65.73 3h3x h THR 98 Cb 1.68 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 69.15 3h3x h THR 98 CO 0.19 0.47 0.11 0.50 0.37 0.00 0.00 175.52 177.17 3h3x h LYS 99 N 0.87 0.25 -0.63 6.66 3.64 -1.17 0.20 116.57 126.38 3h3x h LYS 99 Ca 0.11 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3h3x h LYS 99 Cb 0.78 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.52 3h3x h LYS 99 CO 0.07 0.16 0.24 -0.22 -2.27 0.00 0.00 179.45 177.43 3h3x h LYS 100 N 0.25 0.96 -0.39 1.90 1.63 -1.10 -2.59 116.57 117.23 3h3x h LYS 100 Ca 0.16 -0.18 -0.12 0.00 -0.85 0.00 0.00 60.65 59.66 3h3x h LYS 100 Cb 0.14 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 3h3x h LYS 100 CO -0.17 0.82 -0.21 0.00 -3.45 0.00 0.00 179.45 176.44 3h3x h ALA 101 N 1.09 0.55 -0.41 5.00 0.00 -0.94 -3.21 119.26 121.34 3h3x h ALA 101 Ca 0.21 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3h3x h ALA 101 Cb 0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3h3x h ALA 101 CO -0.01 0.52 0.16 0.00 0.00 0.00 0.00 179.25 179.91 3h3x h ALA 102 N 0.80 1.51 -0.55 0.00 0.00 -0.53 -3.10 119.26 117.40 3h3x h ALA 102 Ca 0.08 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.97 3h3x h ALA 102 Cb 0.77 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 3h3x h ALA 102 CO 0.06 0.38 0.15 0.00 0.00 0.00 0.00 179.25 179.84 3h3x h ALA 103 N 1.60 0.66 -0.23 0.00 0.00 -1.46 -2.93 119.26 116.90 3h3x h ALA 103 Ca 0.14 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3h3x h ALA 103 Cb 0.13 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3h3x h ALA 103 CO -0.01 -0.26 0.00 1.63 0.00 0.00 0.00 179.25 180.60 3h3x n LYS 104 N -5.07 2.08 -1.78 0.00 5.02 -1.22 -5.00 118.16 112.19 3h3x n LYS 104 Ca 0.07 -1.94 -0.39 0.00 -2.02 0.00 0.00 58.31 54.03 3h3x n LYS 104 Cb 0.26 -1.41 0.04 0.00 -0.02 0.00 0.00 35.03 33.90 3h3x n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h3x s ALA 105 N -1.41 2.88 0.12 7.82 0.00 -1.11 -4.67 121.76 125.39 3h3x s ALA 105 Ca 0.29 1.36 0.18 0.00 0.00 0.00 0.00 51.96 53.79 3h3x s ALA 105 Cb 0.18 -3.57 0.60 0.00 0.00 0.00 0.00 23.12 20.32 3h3x s ALA 105 CO 0.26 -1.36 1.69 0.87 0.00 0.00 0.00 175.76 177.22 3h3x h LYS 106 N 1.57 0.00 -1.46 0.00 1.57 -1.38 -3.48 116.57 113.40 3h3x h LYS 106 Ca -0.51 0.00 0.25 0.00 -1.87 0.00 0.00 60.65 58.52 3h3x h LYS 106 Cb 1.30 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.41 3h3x h LYS 106 CO 0.58 0.39 0.81 0.20 -0.57 0.00 0.00 179.45 180.86 3h3x s GLY 107 N -4.37 -0.28 -0.11 3.86 0.00 -1.26 -5.05 107.32 100.11 3h3x s GLY 107 Ca 0.01 1.66 0.00 0.00 0.00 0.00 0.00 44.72 46.39 3h3x s GLY 107 CO 0.69 0.57 -0.09 -0.42 0.00 0.00 0.00 173.10 173.85 3h3x s ILE 108 N -2.33 1.14 -0.24 0.90 1.01 -1.26 -1.68 121.20 118.74 3h3x s ILE 108 Ca 0.09 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.30 3h3x s ILE 108 Cb -0.01 -1.12 -0.03 0.00 0.01 0.00 0.00 42.46 41.31 3h3x s ILE 108 CO -0.05 0.38 0.06 -0.63 0.00 0.00 0.00 174.94 174.71 3h3x s ILE 109 N 1.55 4.29 -0.51 2.92 1.01 0.35 -0.54 121.20 130.27 3h3x s ILE 109 Ca 0.03 -0.18 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 3h3x s ILE 109 Cb -0.13 -2.99 0.06 0.00 0.01 0.00 0.00 42.46 39.41 3h3x s ILE 109 CO -0.07 0.36 0.62 0.00 0.00 0.00 0.00 174.94 175.85 3h3x s ILE 111 N 2.56 4.67 0.00 0.00 2.07 -0.53 -0.29 121.20 129.69 3h3x s ILE 111 Ca 0.14 0.58 0.00 0.00 -1.41 0.00 0.00 60.65 59.96 3h3x s ILE 111 Cb -0.20 -4.29 0.00 0.00 0.13 0.00 0.00 42.46 38.10 3h3x s ILE 111 CO 0.11 -0.63 0.00 0.61 -1.91 0.00 0.00 174.94 173.12 3h3x n GLY 112 N 4.84 2.34 0.28 1.50 0.00 0.29 -4.40 105.19 110.05 3h3x n GLY 112 Ca 0.03 -1.89 0.05 0.00 0.00 0.00 0.00 46.02 44.21 3h3x n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h3x h THR 113 N 0.00 1.08 0.15 2.61 2.02 -1.53 -2.36 112.91 114.88 3h3x h THR 113 Ca 0.00 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 3h3x h THR 113 Cb 0.00 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3h3x h THR 113 CO 0.00 0.09 -0.07 0.00 0.37 0.00 0.00 175.52 175.91 3h3x h SER 115 N -0.45 0.64 -0.05 0.00 4.64 -1.54 0.57 113.55 117.37 3h3x h SER 115 Ca -0.02 -0.32 -0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3h3x h SER 115 Cb 0.36 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3h3x h SER 115 CO 0.03 1.03 0.02 0.00 -0.87 0.00 0.00 176.83 177.04 3h3x h ALA 116 N 0.99 0.06 0.00 5.18 0.00 -1.42 -0.60 119.26 123.47 3h3x h ALA 116 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3h3x h ALA 116 Cb 1.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3h3x h ALA 116 CO 0.10 -0.34 0.00 0.66 0.00 0.00 0.00 179.25 179.66 3h3x n TYR 117 N -4.96 0.00 0.00 0.00 4.01 0.38 -4.46 117.16 112.14 3h3x n TYR 117 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3h3x n TYR 117 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.15 3h3x n TYR 117 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h3x n GLY 118 N 0.04 3.14 7.00 2.72 0.00 0.19 -4.18 105.19 114.11 3h3x n GLY 118 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.03 3h3x n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 119 N 0.00 0.70 0.26 -0.02 0.00 -1.20 -3.98 105.19 100.95 3h3x n GLY 119 Ca 0.00 -0.72 -0.07 0.00 0.00 0.00 0.00 46.02 45.23 3h3x n GLY 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 3h3x h VAL 120 N 0.00 1.22 0.00 1.61 3.04 -1.93 -1.32 116.25 118.86 3h3x h VAL 120 Ca 0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 3h3x h VAL 120 Cb 0.00 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 29.79 3h3x h VAL 120 CO 0.00 0.25 0.00 0.06 -1.01 0.00 0.00 177.57 176.87 3h3x h GLN 121 N 0.83 0.00 0.00 4.17 -0.00 -1.93 -2.54 115.11 115.64 3h3x h GLN 121 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.86 3h3x h GLN 121 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.62 3h3x h GLN 121 CO -0.02 0.00 -0.55 -0.22 -0.00 0.00 0.00 178.83 178.03 3h3x h LYS 122 N 0.00 0.00 -6.70 0.06 3.64 -1.37 -3.40 116.57 108.80 3h3x h LYS 122 Ca 0.00 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.80 3h3x h LYS 122 Cb 0.31 0.00 0.13 0.00 -0.41 0.00 0.00 32.23 32.26 3h3x h LYS 122 CO 0.00 0.00 0.23 0.00 -2.27 0.00 0.00 179.45 177.41 3h3x n ALA 123 N -1.91 0.42 -1.53 5.00 0.00 -0.96 -4.18 120.51 117.34 3h3x n ALA 123 Ca 0.03 0.22 -0.49 0.00 0.00 0.00 0.00 53.44 53.20 3h3x n ALA 123 Cb 0.47 -2.12 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 3h3x n ALA 123 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h3x n LYS 124 N 0.04 0.81 -0.66 0.00 5.02 -1.26 -0.45 118.16 121.67 3h3x n LYS 124 Ca 0.09 0.29 0.01 0.00 -2.02 0.00 0.00 58.31 56.68 3h3x n LYS 124 Cb 0.40 -1.67 0.25 0.00 -0.02 0.00 0.00 35.03 33.99 3h3x n LYS 124 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3h3x n PRO 125 N 1.41 3.33 -3.59 1.97 -0.04 -1.26 -5.00 135.00 131.82 3h3x n PRO 125 Ca 0.15 -2.13 -0.23 0.00 -0.04 0.00 0.00 63.50 61.26 3h3x n PRO 125 Cb 0.24 -1.98 0.02 0.00 -0.04 0.00 0.00 33.50 31.73 3h3x n PRO 125 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3h3x n ASN 126 N 0.23 -5.70 0.05 3.54 5.15 0.41 -4.89 115.26 114.04 3h3x n ASN 126 Ca 0.23 -0.80 0.02 0.00 -0.60 0.00 0.00 54.58 53.43 3h3x n ASN 126 Cb 0.98 -3.19 0.37 0.00 -0.53 0.00 0.00 39.78 37.41 3h3x n ASN 126 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3h3x h PRO 127 N -0.87 0.41 -0.01 1.20 0.13 -1.83 -2.34 132.00 128.69 3h3x h PRO 127 Ca -0.50 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 3h3x h PRO 127 Cb 1.29 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3h3x h PRO 127 CO 0.40 0.43 -0.05 -1.13 -0.23 0.00 0.00 178.00 177.42 3h3x n SER 128 N -4.33 1.12 -3.59 1.44 3.41 -1.26 -4.93 113.62 105.47 3h3x n SER 128 Ca 0.01 -1.24 -0.20 0.00 -0.26 0.00 0.00 58.87 57.18 3h3x n SER 128 Cb 0.20 0.01 0.06 0.00 -0.26 0.00 0.00 64.21 64.22 3h3x n SER 128 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h3x n GLN 129 N -0.23 -5.67 -2.36 4.33 6.02 -0.88 -1.98 117.38 116.61 3h3x n GLN 129 Ca 0.18 0.72 -0.39 0.00 -0.01 0.00 0.00 57.00 57.50 3h3x n GLN 129 Cb 0.31 -5.47 -0.03 0.00 1.02 0.00 0.00 30.24 26.07 3h3x n GLN 129 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3h3x s ALA 130 N -3.53 3.24 0.04 -1.58 0.00 -1.26 -1.46 121.76 117.21 3h3x s ALA 130 Ca 0.02 0.94 0.00 0.00 0.00 0.00 0.00 51.96 52.92 3h3x s ALA 130 Cb -0.01 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 3h3x s ALA 130 CO 0.78 -0.40 -0.04 0.15 0.00 0.00 0.00 175.76 176.25 3h3x s LYS 131 N -2.06 0.48 0.89 0.00 1.02 -0.13 -4.74 119.74 115.21 3h3x s LYS 131 Ca 0.53 -0.86 -0.11 0.00 0.02 0.00 0.00 55.97 55.55 3h3x s LYS 131 Cb -0.31 0.02 0.13 0.00 -0.52 0.00 0.00 37.83 37.15 3h3x s LYS 131 CO 0.39 -0.04 1.09 0.20 -0.92 0.00 0.00 175.35 176.07 3h3x s GLY 132 N -1.99 1.63 0.12 -3.33 0.00 -1.26 -0.73 107.32 101.77 3h3x s GLY 132 Ca -0.07 0.06 -0.20 0.00 0.00 0.00 0.00 44.72 44.52 3h3x s GLY 132 CO -0.03 0.53 1.75 -2.08 0.00 0.00 0.00 173.10 173.27 3h3x h VAL 133 N -1.58 0.97 -0.36 1.40 2.07 -1.32 0.51 116.25 117.94 3h3x h VAL 133 Ca -0.48 -0.06 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 3h3x h VAL 133 Cb 1.28 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 3h3x h VAL 133 CO 0.52 0.03 -0.21 -1.28 0.02 0.00 0.00 177.57 176.65 3h3x h SER 134 N 0.17 0.81 -0.63 0.57 0.87 -1.80 0.11 113.55 113.66 3h3x h SER 134 Ca 0.08 -0.42 0.06 0.00 -1.23 0.00 0.00 61.79 60.28 3h3x h SER 134 Cb 0.04 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 61.72 3h3x h SER 134 CO -0.08 1.05 0.33 -0.08 -0.53 0.00 0.00 176.83 177.53 3h3x h GLU 135 N 0.57 0.59 0.01 2.24 4.81 -1.81 0.35 114.58 121.35 3h3x h GLU 135 Ca 0.08 -0.04 -0.22 0.00 -0.13 0.00 0.00 59.36 59.05 3h3x h GLU 135 Cb 0.77 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.01 3h3x h GLU 135 CO 0.06 0.39 -0.93 0.00 -0.73 0.00 0.00 179.01 177.80 3h3x h ALA 136 N 1.34 0.41 0.00 2.92 0.00 0.31 -3.40 119.26 120.84 3h3x h ALA 136 Ca 0.29 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3h3x h ALA 136 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3h3x h ALA 136 CO -0.19 0.86 -0.85 1.28 0.00 0.00 0.00 179.25 180.35 3h3x n LEU 137 N -3.70 0.03 0.00 0.00 4.77 0.35 -5.03 117.00 113.42 3h3x n LEU 137 Ca -0.06 -0.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.79 3h3x n LEU 137 Cb 0.83 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3h3x n LEU 137 CO 0.50 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.18 3h3x n GLY 138 N 2.00 2.41 3.76 -0.72 0.00 0.12 -5.02 105.19 107.75 3h3x n GLY 138 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 3h3x n GLY 138 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h3x s VAL 139 N -2.42 2.79 -0.03 1.61 -7.23 -1.26 -5.03 120.40 108.83 3h3x s VAL 139 Ca 0.00 0.54 -0.26 0.00 -1.81 0.00 0.00 61.98 60.46 3h3x s VAL 139 Cb 0.00 -3.25 -0.04 0.00 0.56 0.00 0.00 36.38 33.65 3h3x s VAL 139 CO 0.00 -0.06 0.80 -0.54 -0.31 0.00 0.00 175.10 174.99 3h3x s LYS 140 N -3.03 4.49 0.12 4.82 1.02 -1.26 -4.36 119.74 121.54 3h3x s LYS 140 Ca 0.71 1.08 0.10 0.00 0.02 0.00 0.00 55.97 57.88 3h3x s LYS 140 Cb -0.30 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 3h3x s LYS 140 CO 0.35 0.07 -0.26 0.95 -0.92 0.00 0.00 175.35 175.54 3h3x s THR 141 N 0.72 2.14 -0.32 2.17 -4.23 -1.26 -4.62 115.64 110.25 3h3x s THR 141 Ca 0.42 -1.68 -0.23 0.00 -1.18 0.00 0.00 61.69 59.02 3h3x s THR 141 Cb -0.19 -1.90 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3h3x s THR 141 CO 0.22 0.09 0.77 -0.63 -0.54 0.00 0.00 174.62 174.52 3h3x s ILE 142 N -1.05 4.80 -0.24 2.99 1.01 0.30 -4.83 121.20 124.18 3h3x s ILE 142 Ca 0.12 1.07 -0.14 0.00 0.00 0.00 0.00 60.65 61.70 3h3x s ILE 142 Cb -0.10 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 3h3x s ILE 142 CO 0.05 -0.28 0.33 0.20 0.00 0.00 0.00 174.94 175.25 3h3x s ASN 143 N 1.67 6.29 -0.74 3.58 0.01 0.23 -0.14 114.94 125.85 3h3x s ASN 143 Ca 0.31 0.33 0.04 0.00 -0.71 0.00 0.00 52.86 52.83 3h3x s ASN 143 Cb -0.14 -2.19 0.22 0.00 0.41 0.00 0.00 41.25 39.54 3h3x s ASN 143 CO 0.13 -0.09 0.71 -0.38 -1.51 0.00 0.00 177.10 175.96 3h3x n ILE 144 N 4.64 2.40 -2.19 0.60 2.08 0.61 -4.06 119.36 123.44 3h3x n ILE 144 Ca -0.10 -5.12 -0.28 0.00 0.56 0.00 0.00 62.75 57.82 3h3x n ILE 144 Cb 0.51 -2.18 0.17 0.00 -0.75 0.00 0.00 39.64 37.39 3h3x n ILE 144 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3h3x s PRO 145 N -1.92 0.85 0.00 0.38 0.04 -1.26 -0.54 135.00 132.55 3h3x s PRO 145 Ca 0.31 -0.77 0.00 0.00 0.04 0.00 0.00 61.00 60.58 3h3x s PRO 145 Cb 0.03 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3h3x s PRO 145 CO -0.09 -2.17 0.00 0.41 0.04 0.00 0.00 177.00 175.20 3h3x n GLY 146 N -3.48 3.30 2.34 0.56 0.00 -1.24 -4.16 105.19 102.52 3h3x n GLY 146 Ca 0.16 -1.96 -0.26 0.00 0.00 0.00 0.00 46.02 43.97 3h3x n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x s PRO 148 N -0.55 2.77 0.65 0.00 0.04 -1.26 -5.06 135.00 131.59 3h3x s PRO 148 Ca 0.34 -0.21 -0.16 0.00 0.04 0.00 0.00 61.00 61.01 3h3x s PRO 148 Cb 0.09 -2.32 -0.00 0.00 0.04 0.00 0.00 34.50 32.30 3h3x s PRO 148 CO -0.16 -0.73 1.14 -1.25 0.04 0.00 0.00 177.00 176.03 3h3x s PRO 149 N -4.94 2.75 0.22 0.56 0.04 -1.21 -4.98 135.00 127.44 3h3x s PRO 149 Ca 0.54 1.52 -0.32 0.00 0.04 0.00 0.00 61.00 62.78 3h3x s PRO 149 Cb -0.10 -1.93 -0.12 0.00 0.04 0.00 0.00 34.50 32.38 3h3x s PRO 149 CO 0.43 -1.31 1.66 -1.71 0.04 0.00 0.00 177.00 176.11 3h3x n ASN 150 N -2.28 3.78 -0.22 6.66 2.85 -1.26 -4.78 115.26 120.00 3h3x n ASN 150 Ca 0.11 1.09 0.24 0.00 -0.11 0.00 0.00 54.58 55.91 3h3x n ASN 150 Cb 0.51 -1.55 0.61 0.00 1.24 0.00 0.00 39.78 40.60 3h3x n ASN 150 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3h3x h PRO 151 N 6.05 0.20 -0.98 1.20 0.13 -1.91 0.18 132.00 136.87 3h3x h PRO 151 Ca -0.44 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.77 3h3x h PRO 151 Cb 1.22 -0.05 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 3h3x h PRO 151 CO 0.90 0.13 0.62 0.82 -0.23 0.00 0.00 178.00 180.24 3h3x h ILE 152 N 0.21 0.98 -0.10 -3.56 2.04 -1.92 0.22 117.51 115.39 3h3x h ILE 152 Ca 0.46 -0.36 -0.22 0.00 1.00 0.00 0.00 64.86 65.75 3h3x h ILE 152 Cb 1.45 -0.14 0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3h3x h ILE 152 CO -0.11 0.19 -0.81 0.78 0.00 0.00 0.00 178.15 178.20 3h3x h ASN 153 N 1.04 0.77 0.21 1.72 2.35 -1.03 -2.04 115.58 118.59 3h3x h ASN 153 Ca 0.46 -0.53 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 3h3x h ASN 153 Cb 0.35 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3h3x h ASN 153 CO -0.23 1.31 -0.10 0.15 -1.65 0.00 0.00 177.43 176.91 3h3x h PHE 154 N 0.42 -0.26 -0.58 1.19 3.57 -1.13 -2.56 116.94 117.59 3h3x h PHE 154 Ca -0.06 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 3h3x h PHE 154 Cb 1.43 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.23 3h3x h PHE 154 CO 0.07 0.12 0.24 0.28 -2.23 0.00 0.00 178.31 176.79 3h3x h VAL 155 N -0.90 1.21 -0.45 1.41 2.07 -1.10 -1.34 116.25 117.14 3h3x h VAL 155 Ca -0.03 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.86 3h3x h VAL 155 Cb 0.50 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3h3x h VAL 155 CO 0.05 0.25 0.29 1.23 0.02 0.00 0.00 177.57 179.41 3h3x h GLY 156 N 0.94 0.63 0.96 2.17 0.00 -1.45 0.07 103.07 106.39 3h3x h GLY 156 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3h3x h GLY 156 CO -0.02 0.22 -0.16 0.00 0.00 0.00 0.00 176.54 176.58 3h3x h ALA 157 N 1.17 -0.42 -0.16 3.60 0.00 -0.96 -0.99 119.26 121.49 3h3x h ALA 157 Ca 0.17 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3h3x h ALA 157 Cb -0.06 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3h3x h ALA 157 CO -0.04 -0.74 -0.03 0.28 0.00 0.00 0.00 179.25 178.72 3h3x h VAL 158 N -0.43 0.85 -0.50 0.00 2.07 -0.98 0.14 116.25 117.40 3h3x h VAL 158 Ca -0.04 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 3h3x h VAL 158 Cb 0.34 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 3h3x h VAL 158 CO 0.05 0.00 0.29 0.58 0.02 0.00 0.00 177.57 178.51 3h3x h VAL 159 N 0.01 1.16 -0.31 2.57 2.07 -0.97 -1.60 116.25 119.18 3h3x h VAL 159 Ca 0.08 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.23 3h3x h VAL 159 Cb 0.11 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3h3x h VAL 159 CO -0.16 0.17 0.12 -0.74 0.02 0.00 0.00 177.57 176.98 3h3x h HIS 160 N 0.67 0.21 -0.67 1.57 6.17 -0.61 -0.64 115.15 121.85 3h3x h HIS 160 Ca 0.18 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.27 3h3x h HIS 160 Cb 0.02 -0.05 -0.03 0.00 2.52 0.00 0.00 27.41 29.87 3h3x h HIS 160 CO -0.02 0.10 0.41 0.28 0.71 0.00 0.00 177.93 179.41 3h3x h VAL 161 N 0.26 1.19 0.00 5.26 2.07 -0.37 0.35 116.25 125.00 3h3x h VAL 161 Ca 0.14 -0.39 -0.13 0.00 0.82 0.00 0.00 66.70 67.13 3h3x h VAL 161 Cb 0.10 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 3h3x h VAL 161 CO -0.13 0.19 -0.63 -0.07 0.02 0.00 0.00 177.57 176.95 3h3x h LEU 162 N 0.91 0.00 0.00 2.57 3.38 -1.11 -3.28 115.31 117.77 3h3x h LEU 162 Ca 0.24 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.94 3h3x h LEU 162 Cb -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3h3x h LEU 162 CO -0.05 0.63 -2.04 0.35 0.09 0.00 0.00 178.44 177.42 3h3x n THR 163 N -3.76 1.04 -0.07 0.22 -2.24 -0.26 -4.86 114.28 104.35 3h3x n THR 163 Ca -0.01 -0.51 -0.12 0.00 -2.27 0.00 0.00 64.05 61.14 3h3x n THR 163 Cb 0.63 -0.91 -0.05 0.00 -2.10 0.00 0.00 70.33 67.90 3h3x n THR 163 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3h3x n LYS 164 N -2.81 0.30 0.00 -0.78 5.02 0.11 -5.07 118.16 114.93 3h3x n LYS 164 Ca -0.29 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.10 3h3x n LYS 164 Cb 0.91 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 3h3x n LYS 164 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h3x n GLY 165 N 2.50 0.84 3.64 0.72 0.00 -0.31 -5.01 105.19 107.56 3h3x n GLY 165 Ca -0.25 -1.99 -0.43 0.00 0.00 0.00 0.00 46.02 43.35 3h3x n GLY 165 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3x s ILE 166 N -1.62 4.20 0.65 -0.61 1.01 -1.26 -3.33 121.20 120.24 3h3x s ILE 166 Ca 0.00 1.38 -0.15 0.00 0.00 0.00 0.00 60.65 61.88 3h3x s ILE 166 Cb 0.00 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 38.33 3h3x s ILE 166 CO 0.00 -0.39 1.11 -2.16 0.00 0.00 0.00 174.94 173.50 3h3x s PRO 167 N 3.97 2.87 -0.12 2.79 0.04 -1.26 -4.93 135.00 138.35 3h3x s PRO 167 Ca 0.55 1.39 -0.39 0.00 0.04 0.00 0.00 61.00 62.60 3h3x s PRO 167 Cb -0.18 -1.96 -0.16 0.00 0.04 0.00 0.00 34.50 32.24 3h3x s PRO 167 CO 0.20 -1.20 1.56 -0.25 0.04 0.00 0.00 177.00 177.36 3h3x n ASP 168 N -2.32 2.03 -4.70 6.66 9.92 -1.26 -4.88 116.55 121.99 3h3x n ASP 168 Ca 0.10 1.10 -0.31 0.00 -0.53 0.00 0.00 54.79 55.15 3h3x n ASP 168 Cb 0.52 -1.15 -0.08 0.00 -0.64 0.00 0.00 41.12 39.76 3h3x n ASP 168 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3h3x s LEU 169 N 2.20 3.51 0.00 0.64 1.43 -1.26 -1.00 118.68 124.21 3h3x s LEU 169 Ca 0.93 -0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.74 3h3x s LEU 169 Cb -1.03 -2.19 0.22 0.00 0.03 0.00 0.00 46.19 43.22 3h3x s LEU 169 CO 0.58 0.20 1.25 -0.90 0.23 0.00 0.00 176.35 177.71 3h3x n ASP 170 N 0.72 -0.12 -0.21 2.29 5.68 0.23 -4.84 116.55 120.31 3h3x n ASP 170 Ca -0.11 -1.43 0.13 0.00 -0.50 0.00 0.00 54.79 52.88 3h3x n ASP 170 Cb 0.52 -0.98 0.43 0.00 -1.14 0.00 0.00 41.12 39.96 3h3x n ASP 170 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3h3x h GLU 171 N 0.00 0.55 -0.74 0.11 4.57 -2.00 -1.41 114.58 115.65 3h3x h GLU 171 Ca -0.41 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 57.72 3h3x h GLU 171 Cb 1.14 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 3h3x h GLU 171 CO 0.29 0.36 0.02 0.09 -1.18 0.00 0.00 179.01 178.59 3h3x n ASN 172 N -4.51 4.04 -0.16 1.04 4.13 -1.26 -4.90 115.26 113.64 3h3x n ASN 172 Ca 0.15 -2.62 -0.02 0.00 1.68 0.00 0.00 54.58 53.77 3h3x n ASN 172 Cb 0.46 -0.62 -0.01 0.00 -1.54 0.00 0.00 39.78 38.07 3h3x n ASN 172 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3h3x n GLY 173 N 0.37 0.55 3.79 7.41 0.00 -0.53 -4.73 105.19 112.05 3h3x n GLY 173 Ca 0.19 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 3h3x n GLY 173 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3x s ARG 174 N -1.46 4.10 0.13 1.61 0.52 -1.26 -0.60 118.95 122.00 3h3x s ARG 174 Ca 0.00 0.42 -0.31 0.00 -0.52 0.00 0.00 55.73 55.32 3h3x s ARG 174 Cb 0.00 -3.31 -0.10 0.00 0.52 0.00 0.00 34.95 32.06 3h3x s ARG 174 CO 0.00 0.48 1.69 -2.14 0.02 0.00 0.00 175.30 175.35 3h3x s PRO 175 N -0.39 4.17 0.58 3.54 0.02 -1.26 0.77 135.00 142.44 3h3x s PRO 175 Ca 0.24 2.45 0.33 0.00 0.02 0.00 0.00 61.00 64.04 3h3x s PRO 175 Cb -0.16 -3.41 1.81 0.00 0.02 0.00 0.00 34.50 32.76 3h3x s PRO 175 CO 0.12 -0.73 2.20 0.87 -0.33 0.00 0.00 177.00 179.13 3h3x h LYS 176 N 7.79 0.00 -0.69 5.54 1.57 -1.39 -1.05 116.57 128.34 3h3x h LYS 176 Ca -0.44 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.49 3h3x h LYS 176 Cb 1.21 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.47 3h3x h LYS 176 CO 0.93 0.04 0.47 -0.07 -0.57 0.00 0.00 179.45 180.25 3h3x h LEU 177 N 0.00 0.30 0.00 2.94 3.38 -1.90 -2.43 115.31 117.60 3h3x h LEU 177 Ca -0.00 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3h3x h LEU 177 Cb 0.15 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3h3x h LEU 177 CO 0.01 0.16 -1.20 0.49 0.09 0.00 0.00 178.44 177.98 3h3x n PHE 178 N -4.45 0.00 -0.91 1.13 3.72 -1.00 -4.78 117.46 111.17 3h3x n PHE 178 Ca 0.13 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.61 3h3x n PHE 178 Cb 0.53 -0.13 0.18 0.00 -0.94 0.00 0.00 39.48 39.12 3h3x n PHE 178 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3h3x n TYR 179 N -1.91 0.44 0.57 1.38 4.01 -0.43 -3.48 117.16 117.74 3h3x n TYR 179 Ca -0.03 -0.88 0.13 0.00 -0.16 0.00 0.00 57.90 56.95 3h3x n TYR 179 Cb 0.39 -0.21 0.41 0.00 -0.31 0.00 0.00 39.34 39.63 3h3x n TYR 179 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3h3x h GLY 180 N 0.92 0.00 -4.49 2.72 0.00 -1.62 -3.42 103.07 97.18 3h3x h GLY 180 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 3h3x h GLY 180 CO 0.10 0.00 -0.81 -0.54 0.00 0.00 0.00 176.54 175.29 3h3x s GLU 181 N -3.15 1.05 0.29 4.80 2.02 -1.26 -5.07 118.70 117.39 3h3x s GLU 181 Ca 0.09 -0.94 -0.29 0.00 0.02 0.00 0.00 54.97 53.85 3h3x s GLU 181 Cb 0.12 -1.15 -0.10 0.00 0.10 0.00 0.00 34.13 33.10 3h3x s GLU 181 CO 0.57 0.28 1.34 -0.51 0.02 0.00 0.00 175.26 176.95 3h3x s LEU 182 N -1.47 4.42 0.17 1.80 1.43 -1.26 -2.44 118.68 121.33 3h3x s LEU 182 Ca 0.03 2.64 -0.17 0.00 -1.03 0.00 0.00 54.13 55.60 3h3x s LEU 182 Cb -0.09 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.59 3h3x s LEU 182 CO 0.02 -0.57 1.66 0.58 0.23 0.00 0.00 176.35 178.27 3h3x h VAL 183 N 3.25 0.58 -0.71 -1.59 2.07 -0.86 -2.19 116.25 116.80 3h3x h VAL 183 Ca -0.48 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.20 3h3x h VAL 183 Cb 1.22 0.58 -0.12 0.00 -1.52 0.00 0.00 31.29 31.45 3h3x h VAL 183 CO 0.70 0.00 0.07 -0.74 0.02 0.00 0.00 177.57 177.62 3h3x h HIS 184 N -0.02 0.07 -0.03 1.57 6.17 -1.70 -1.80 115.15 119.42 3h3x h HIS 184 Ca 0.19 0.05 0.01 0.00 0.71 0.00 0.00 60.37 61.33 3h3x h HIS 184 Cb 0.31 0.08 -0.00 0.00 2.52 0.00 0.00 27.41 30.32 3h3x h HIS 184 CO -0.36 -0.16 0.05 -0.44 0.71 0.00 0.00 177.93 177.72 3h3x h ASP 185 N 0.16 0.00 -0.46 3.26 3.32 -1.69 -1.80 116.42 119.21 3h3x h ASP 185 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3h3x h ASP 185 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3h3x h ASP 185 CO -0.57 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 177.54 3h3x n ASN 186 N -3.56 3.22 -4.70 6.45 3.02 -0.70 -5.03 115.26 113.96 3h3x n ASN 186 Ca -0.02 -2.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.11 3h3x n ASN 186 Cb 0.13 -0.31 -0.03 0.00 -0.61 0.00 0.00 39.78 38.97 3h3x n ASN 186 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3x n PRO 188 N 4.32 0.12 0.00 0.00 -0.02 -1.26 -1.37 135.00 136.79 3h3x n PRO 188 Ca 0.09 0.21 0.12 0.00 -2.02 0.00 0.00 63.50 61.89 3h3x n PRO 188 Cb 0.48 -1.50 0.08 0.00 -0.02 0.00 0.00 33.50 32.53 3h3x n PRO 188 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3h3x n ARG 189 N -1.30 1.69 -0.32 -0.52 1.74 -1.26 -4.49 116.66 112.20 3h3x n ARG 189 Ca 0.04 -1.38 0.14 0.00 -0.77 0.00 0.00 57.85 55.89 3h3x n ARG 189 Cb 0.08 -1.47 0.33 0.00 -1.02 0.00 0.00 32.46 30.37 3h3x n ARG 189 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3h3x h LEU 190 N 3.36 0.53 -1.45 0.55 5.85 -1.53 0.18 115.31 122.80 3h3x h LEU 190 Ca 0.00 0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.91 3h3x h LEU 190 Cb 0.84 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 3h3x h LEU 190 CO 0.00 0.09 0.43 -0.65 -0.34 0.00 0.00 178.44 177.97 3h3x h PRO 191 N 0.53 0.66 -0.13 5.25 0.11 -1.83 0.11 132.00 136.70 3h3x h PRO 191 Ca 0.58 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.64 3h3x h PRO 191 Cb 1.06 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3h3x h PRO 191 CO -0.48 0.44 0.01 0.45 -0.21 0.00 0.00 178.00 178.21 3h3x h HIS 192 N 0.68 0.24 -0.31 0.65 3.86 -0.97 -1.86 115.15 117.44 3h3x h HIS 192 Ca 0.28 -0.04 0.07 0.00 -1.16 0.00 0.00 60.37 59.52 3h3x h HIS 192 Cb 0.23 -0.06 -0.07 0.00 1.06 0.00 0.00 27.41 28.57 3h3x h HIS 192 CO -0.00 0.43 -0.13 0.35 0.86 0.00 0.00 177.93 179.44 3h3x h PHE 193 N -0.02 -0.31 -0.07 2.45 3.04 -0.98 0.64 116.94 121.69 3h3x h PHE 193 Ca 0.04 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.03 3h3x h PHE 193 Cb 0.33 0.19 -0.00 0.00 2.56 0.00 0.00 35.95 39.02 3h3x h PHE 193 CO 0.03 -0.20 0.05 0.93 -2.02 0.00 0.00 178.31 177.09 3h3x h GLU 194 N -0.08 0.06 -0.19 1.11 5.08 -0.69 -1.45 114.58 118.43 3h3x h GLU 194 Ca 0.16 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3h3x h GLU 194 Cb 0.32 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3h3x h GLU 194 CO -0.37 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 177.68 3h3x n ALA 195 N -2.54 2.50 -3.21 3.43 0.00 -0.71 -4.94 120.51 115.05 3h3x n ALA 195 Ca -0.02 -0.60 -0.21 0.00 0.00 0.00 0.00 53.44 52.61 3h3x n ALA 195 Cb 0.10 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 18.56 3h3x n ALA 195 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3h3x n SER 196 N 0.54 -5.92 -4.23 0.00 7.64 -0.55 -4.97 113.62 106.13 3h3x n SER 196 Ca 0.17 -0.37 -0.42 0.00 1.01 0.00 0.00 58.87 59.25 3h3x n SER 196 Cb 0.39 -4.66 -0.07 0.00 -1.01 0.00 0.00 64.21 58.86 3h3x n SER 196 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3h3x s GLU 197 N -5.88 2.83 0.04 1.43 2.02 0.14 -5.03 118.70 114.24 3h3x s GLU 197 Ca 0.40 -2.04 0.06 0.00 0.02 0.00 0.00 54.97 53.40 3h3x s GLU 197 Cb -0.18 -4.07 -0.03 0.00 0.10 0.00 0.00 34.13 29.95 3h3x s GLU 197 CO 0.49 -1.24 -0.13 -0.06 0.02 0.00 0.00 175.26 174.35 3h3x s PHE 198 N 0.89 2.69 0.02 1.61 0.08 -1.26 -2.16 117.98 119.85 3h3x s PHE 198 Ca 0.10 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.68 3h3x s PHE 198 Cb -0.22 -1.51 -0.05 0.00 -0.57 0.00 0.00 43.02 40.67 3h3x s PHE 198 CO -0.02 0.32 1.18 0.00 -0.10 0.00 0.00 175.22 176.59 3h3x s ALA 199 N -0.99 3.40 -0.36 5.36 0.00 -0.73 -4.88 121.76 123.55 3h3x s ALA 199 Ca 0.16 0.75 0.22 0.00 0.00 0.00 0.00 51.96 53.09 3h3x s ALA 199 Cb -0.11 -3.46 0.23 0.00 0.00 0.00 0.00 23.12 19.78 3h3x s ALA 199 CO 0.07 -0.52 1.45 -1.00 0.00 0.00 0.00 175.76 175.76 3h3x h PRO 200 N 7.02 0.00 -3.03 0.00 0.13 -1.94 -3.40 132.00 130.78 3h3x h PRO 200 Ca -0.39 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.77 3h3x h PRO 200 Cb 1.20 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.25 3h3x h PRO 200 CO 0.83 0.04 0.21 -1.54 -0.23 0.00 0.00 178.00 177.30 3h3x s SER 201 N -6.01 -0.35 0.48 1.44 1.04 -1.26 -4.93 113.70 104.11 3h3x s SER 201 Ca 0.05 -0.43 0.30 0.00 0.48 0.00 0.00 55.95 56.35 3h3x s SER 201 Cb 0.06 0.68 1.05 0.00 0.10 0.00 0.00 66.02 67.91 3h3x s SER 201 CO 0.71 -1.22 1.85 -0.26 0.98 0.00 0.00 173.24 175.30 3h3x h PHE 202 N 2.02 0.00 0.00 5.02 0.04 -1.98 -2.98 116.94 119.06 3h3x h PHE 202 Ca -0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.53 3h3x h PHE 202 Cb 1.27 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.42 3h3x h PHE 202 CO 0.37 0.00 -0.77 -0.40 -0.60 0.00 0.00 178.31 176.90 3h3x n ASP 203 N -2.96 0.76 -4.72 2.17 5.75 -1.26 -4.74 116.55 111.55 3h3x n ASP 203 Ca 0.02 -0.64 -0.32 0.00 -0.01 0.00 0.00 54.79 53.84 3h3x n ASP 203 Cb 0.36 0.65 0.12 0.00 -1.03 0.00 0.00 41.12 41.22 3h3x n ASP 203 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3h3x s SER 204 N -3.02 3.82 0.41 -1.12 1.04 -1.12 -4.89 113.70 108.82 3h3x s SER 204 Ca 0.09 2.14 0.12 0.00 0.48 0.00 0.00 55.95 58.78 3h3x s SER 204 Cb 0.17 -2.56 0.87 0.00 0.10 0.00 0.00 66.02 64.60 3h3x s SER 204 CO 0.79 -2.50 1.94 -0.33 0.98 0.00 0.00 173.24 174.12 3h3x h GLU 205 N -1.09 0.12 -0.66 4.02 4.39 -1.93 -2.48 114.58 116.94 3h3x h GLU 205 Ca -0.45 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.24 3h3x h GLU 205 Cb 1.27 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.86 3h3x h GLU 205 CO 0.47 0.29 0.43 0.93 -1.16 0.00 0.00 179.01 179.97 3h3x h GLU 206 N 0.12 0.83 -0.51 2.33 3.07 -1.91 0.30 114.58 118.81 3h3x h GLU 206 Ca 0.02 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3h3x h GLU 206 Cb 0.36 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 3h3x h GLU 206 CO 0.02 0.55 0.25 0.00 -1.40 0.00 0.00 179.01 178.43 3h3x h ALA 207 N 1.26 0.65 -0.66 3.43 0.00 -1.70 -1.18 119.26 121.07 3h3x h ALA 207 Ca 0.26 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3h3x h ALA 207 Cb -0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3h3x h ALA 207 CO -0.08 0.21 0.44 0.87 0.00 0.00 0.00 179.25 180.69 3h3x h LYS 208 N 0.67 0.85 -0.08 0.00 1.57 -0.95 -0.68 116.57 117.96 3h3x h LYS 208 Ca 0.17 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3h3x h LYS 208 Cb 0.11 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.23 3h3x h LYS 208 CO -0.02 0.56 0.00 1.63 -0.57 0.00 0.00 179.45 181.05 3h3x n LYS 209 N -4.44 1.25 -2.75 3.15 5.02 0.03 -4.90 118.16 115.52 3h3x n LYS 209 Ca 0.07 -0.38 -0.10 0.00 -2.02 0.00 0.00 58.31 55.88 3h3x n LYS 209 Cb 0.05 -1.24 0.02 0.00 -0.02 0.00 0.00 35.03 33.85 3h3x n LYS 209 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h3x n GLY 210 N 0.83 0.18 3.78 0.72 0.00 -0.26 -5.02 105.19 105.42 3h3x n GLY 210 Ca 0.11 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 3h3x n GLY 210 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h3x s PHE 211 N -2.94 2.74 0.31 1.61 0.40 -0.50 -4.93 117.98 114.67 3h3x s PHE 211 Ca 0.19 1.53 -0.28 0.00 -0.60 0.00 0.00 56.93 57.76 3h3x s PHE 211 Cb -0.08 -3.07 -0.13 0.00 0.51 0.00 0.00 43.02 40.25 3h3x s PHE 211 CO 0.23 -1.55 1.19 0.00 0.70 0.00 0.00 175.22 175.79 3h3x n LEU 213 N 1.09 5.00 -0.22 0.00 4.77 -1.26 -1.78 117.00 124.60 3h3x n LEU 213 Ca 0.07 -2.53 -0.07 0.00 -0.03 0.00 0.00 56.01 53.45 3h3x n LEU 213 Cb 0.34 -0.64 0.03 0.00 -2.33 0.00 0.00 43.42 40.83 3h3x n LEU 213 CO 0.61 0.63 1.04 0.22 -1.33 0.00 0.00 177.39 178.56 3h3x h TYR 214 N 3.60 0.88 0.00 -1.77 5.03 -1.89 -1.65 116.97 121.16 3h3x h TYR 214 Ca 0.00 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.27 3h3x h TYR 214 Cb 1.70 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 39.70 3h3x h TYR 214 CO 0.91 0.66 0.00 0.39 -1.32 0.00 0.00 178.16 178.79 3h3x n GLU 215 N -4.52 0.05 -0.88 1.82 1.02 -1.26 -1.53 120.64 115.34 3h3x n GLU 215 Ca 0.04 0.18 -0.03 0.00 -0.02 0.00 0.00 57.16 57.33 3h3x n GLU 215 Cb 0.12 -1.50 0.28 0.00 -0.02 0.00 0.00 31.44 30.31 3h3x n GLU 215 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h3x n LEU 216 N -1.46 5.36 0.00 -4.62 4.77 -0.65 -4.88 117.00 115.53 3h3x n LEU 216 Ca 0.05 -3.28 0.00 0.00 -0.03 0.00 0.00 56.01 52.75 3h3x n LEU 216 Cb 0.19 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 3h3x n LEU 216 CO 0.16 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3h3x n GLY 217 N -0.41 0.77 3.67 -0.72 0.00 -0.58 -4.36 105.19 103.56 3h3x n GLY 217 Ca 0.36 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.86 3h3x n GLY 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x n LYS 219 N 6.38 2.67 -0.21 0.00 4.76 -0.80 -4.44 118.16 126.52 3h3x n LYS 219 Ca 0.26 -1.87 -0.02 0.00 -2.87 0.00 0.00 58.31 53.81 3h3x n LYS 219 Cb 0.23 -1.62 0.04 0.00 -1.84 0.00 0.00 35.03 31.85 3h3x n LYS 219 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3h3x h GLY 220 N 4.72 0.24 1.97 0.72 0.00 -1.89 -0.73 103.07 108.11 3h3x h GLY 220 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.63 3h3x h GLY 220 CO 0.12 -0.24 0.01 -2.55 0.00 0.00 0.00 176.54 173.89 3h3x h PRO 221 N -0.07 0.00 0.00 4.80 0.11 -1.94 -2.53 132.00 132.37 3h3x h PRO 221 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 3h3x h PRO 221 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3h3x h PRO 221 CO -0.67 0.00 -0.02 1.33 -0.21 0.00 0.00 178.00 178.43 3h3x n VAL 222 N -2.28 1.43 -5.00 3.15 0.24 -0.31 -4.91 118.33 110.64 3h3x n VAL 222 Ca -0.01 -1.64 -0.32 0.00 -2.04 0.00 0.00 64.34 60.32 3h3x n VAL 222 Cb 0.05 0.10 -0.16 0.00 -1.47 0.00 0.00 33.84 32.35 3h3x n VAL 222 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3h3x s THR 223 N -1.98 2.24 -0.40 3.34 2.01 -1.03 -5.00 115.64 114.81 3h3x s THR 223 Ca 0.18 -0.95 -0.18 0.00 0.31 0.00 0.00 61.69 61.05 3h3x s THR 223 Cb 0.16 -1.88 0.01 0.00 0.01 0.00 0.00 72.50 70.80 3h3x s THR 223 CO 0.02 0.55 0.49 -0.31 -0.69 0.00 0.00 174.62 174.67 3h3x s TYR 224 N 0.47 3.15 0.08 4.92 1.51 -1.26 -0.49 117.35 125.74 3h3x s TYR 224 Ca -0.15 -0.16 -0.27 0.00 -1.01 0.00 0.00 57.07 55.49 3h3x s TYR 224 Cb -0.17 -2.97 0.08 0.00 -0.11 0.00 0.00 41.96 38.79 3h3x s TYR 224 CO 0.06 -0.67 0.95 1.21 -1.11 0.00 0.00 175.55 175.98 3h3x s ASN 225 N 1.83 -0.24 -0.05 2.29 3.84 -1.02 -4.83 114.94 116.76 3h3x s ASN 225 Ca 0.16 -0.24 0.13 0.00 0.21 0.00 0.00 52.86 53.12 3h3x s ASN 225 Cb -0.16 0.43 0.38 0.00 -0.55 0.00 0.00 41.25 41.36 3h3x s ASN 225 CO 0.14 -0.77 1.32 -0.46 -2.79 0.00 0.00 177.10 174.55 3h3x n ASN 226 N -0.38 3.26 -0.35 -4.21 0.23 -1.23 -3.90 115.26 108.68 3h3x n ASN 226 Ca -0.07 -2.28 -0.05 0.00 -0.53 0.00 0.00 54.58 51.65 3h3x n ASN 226 Cb 0.61 -0.33 -0.02 0.00 -2.08 0.00 0.00 39.78 37.97 3h3x n ASN 226 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3h3x h PRO 228 N 0.00 0.00 0.09 0.00 0.13 -1.88 0.38 132.00 130.72 3h3x h PRO 228 Ca 0.24 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.09 3h3x h PRO 228 Cb 0.46 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.62 3h3x h PRO 228 CO -0.86 0.00 -1.13 -0.22 -0.23 0.00 0.00 178.00 175.56 3h3x h LYS 229 N 0.00 0.60 0.00 0.86 3.64 -1.30 -3.39 116.57 116.99 3h3x h LYS 229 Ca 0.00 -0.77 0.00 0.00 -1.27 0.00 0.00 60.65 58.61 3h3x h LYS 229 Cb 0.66 0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3h3x h LYS 229 CO 0.00 1.34 -1.04 1.33 -2.27 0.00 0.00 179.45 178.81 3h3x n VAL 230 N -3.86 0.00 -1.18 2.00 0.24 -0.70 -5.12 118.33 109.71 3h3x n VAL 230 Ca -0.13 -0.25 0.13 0.00 -2.04 0.00 0.00 64.34 62.06 3h3x n VAL 230 Cb 0.93 0.58 -0.05 0.00 -1.47 0.00 0.00 33.84 33.83 3h3x n VAL 230 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3h3x n LEU 231 N -1.59 -0.62 -4.65 1.34 4.77 0.13 -4.75 117.00 111.63 3h3x n LEU 231 Ca -0.00 1.42 -0.32 0.00 -0.03 0.00 0.00 56.01 57.08 3h3x n LEU 231 Cb 0.21 -3.77 -0.09 0.00 -2.33 0.00 0.00 43.42 37.44 3h3x n LEU 231 CO 0.20 -2.19 -0.35 -0.36 -1.33 0.00 0.00 177.39 173.37 3h3x s PHE 232 N -3.15 2.99 -1.26 -1.77 0.08 0.11 -4.63 117.98 110.35 3h3x s PHE 232 Ca 0.00 0.02 0.00 0.00 0.12 0.00 0.00 56.93 57.07 3h3x s PHE 232 Cb 0.00 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 3h3x s PHE 232 CO 0.00 0.43 0.00 0.09 -0.10 0.00 0.00 175.22 175.64 3h3x n ASN 233 N 1.36 -3.93 -1.03 1.36 4.13 -1.26 -1.32 115.26 114.57 3h3x n ASN 233 Ca -0.14 0.23 -0.13 0.00 1.68 0.00 0.00 54.58 56.21 3h3x n ASN 233 Cb 0.53 -3.45 -0.06 0.00 -1.54 0.00 0.00 39.78 35.26 3h3x n ASN 233 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h3x n GLN 234 N -2.47 -1.47 0.00 3.52 3.00 -1.26 -4.80 117.38 113.91 3h3x n GLN 234 Ca -0.15 0.96 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 3h3x n GLN 234 Cb 0.55 -5.29 0.00 0.00 0.00 0.00 0.00 30.24 25.51 3h3x n GLN 234 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 3h3x n VAL 235 N -2.34 0.00 -3.82 5.09 0.24 -0.43 -5.09 118.33 111.97 3h3x n VAL 235 Ca -0.13 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.11 3h3x n VAL 235 Cb 0.58 -0.01 -0.01 0.00 -1.47 0.00 0.00 33.84 32.93 3h3x n VAL 235 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3h3x s ASN 236 N -0.55 -0.19 0.23 -1.34 3.84 -1.06 -4.98 114.94 110.88 3h3x s ASN 236 Ca 0.00 -0.59 -0.18 0.00 0.21 0.00 0.00 52.86 52.30 3h3x s ASN 236 Cb 0.00 0.65 0.02 0.00 -0.55 0.00 0.00 41.25 41.37 3h3x s ASN 236 CO 0.00 -1.21 0.57 -1.66 -2.79 0.00 0.00 177.10 172.01 3h3x s TRP 237 N -3.48 -0.07 0.15 0.43 1.48 -1.26 0.09 118.94 116.28 3h3x s TRP 237 Ca 0.12 -0.30 -0.19 0.00 -1.06 0.00 0.00 56.10 54.67 3h3x s TRP 237 Cb -0.04 0.45 0.04 0.00 -1.16 0.00 0.00 33.47 32.76 3h3x s TRP 237 CO 0.06 -1.02 1.67 -1.35 -4.06 0.00 0.00 176.95 172.25 3h3x h PRO 238 N 2.14 -0.05 -0.30 3.25 0.11 -1.95 -1.63 132.00 133.56 3h3x h PRO 238 Ca -0.26 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.79 3h3x h PRO 238 Cb 1.26 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 3h3x h PRO 238 CO 0.33 -0.03 -0.11 0.28 -0.21 0.00 0.00 178.00 178.25 3h3x h VAL 239 N -0.05 1.23 -0.45 3.15 2.07 -1.82 0.77 116.25 121.14 3h3x h VAL 239 Ca 0.15 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 3h3x h VAL 239 Cb 0.28 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 3h3x h VAL 239 CO -0.33 0.33 0.22 -0.61 0.02 0.00 0.00 177.57 177.21 3h3x h GLN 240 N 0.47 0.62 -0.68 1.57 4.15 -1.75 -1.37 115.11 118.13 3h3x h GLN 240 Ca 0.09 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3h3x h GLN 240 Cb 0.48 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.05 3h3x h GLN 240 CO 0.03 0.48 0.00 0.00 -1.93 0.00 0.00 178.83 177.41 3h3x n ALA 241 N -2.47 2.82 -0.66 3.38 0.00 0.14 -4.88 120.51 118.84 3h3x n ALA 241 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.90 3h3x n ALA 241 Cb 0.11 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3h3x n ALA 241 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h3x n GLY 242 N 0.41 0.77 3.39 0.00 0.00 -0.51 -5.04 105.19 104.19 3h3x n GLY 242 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 3h3x n GLY 242 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h3x s HIS 243 N -2.79 2.61 0.61 1.61 5.04 -0.45 -4.95 115.29 116.96 3h3x s HIS 243 Ca 0.00 -0.40 -0.19 0.00 -1.54 0.00 0.00 55.06 52.94 3h3x s HIS 243 Cb 0.00 -1.64 -0.04 0.00 0.04 0.00 0.00 32.58 30.94 3h3x s HIS 243 CO 0.00 0.00 1.07 -0.35 -2.34 0.00 0.00 174.74 173.12 3h3x n PRO 244 N 2.65 1.00 -2.03 2.88 -0.04 -1.26 -2.59 135.00 135.62 3h3x n PRO 244 Ca -0.17 0.39 -0.41 0.00 -0.04 0.00 0.00 63.50 63.27 3h3x n PRO 244 Cb 0.52 -2.28 -0.02 0.00 -0.04 0.00 0.00 33.50 31.69 3h3x n PRO 244 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h3x n LEU 246 N 0.79 0.65 -0.83 0.00 4.77 -1.26 -1.91 117.00 119.22 3h3x n LEU 246 Ca 0.01 -0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 55.81 3h3x n LEU 246 Cb 0.41 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3h3x n LEU 246 CO 0.60 0.16 -0.01 0.61 -1.33 0.00 0.00 177.39 177.42 3h3x n GLY 247 N 1.49 0.36 0.18 -0.72 0.00 -1.26 -4.80 105.19 100.44 3h3x n GLY 247 Ca 0.06 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.62 3h3x n GLY 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x n SER 249 N -2.53 1.08 -4.86 0.00 3.41 -1.26 -3.68 113.62 105.78 3h3x n SER 249 Ca 0.02 -1.47 -0.35 0.00 -0.26 0.00 0.00 58.87 56.80 3h3x n SER 249 Cb 0.25 -0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 3h3x n SER 249 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3h3x s GLU 250 N -1.93 3.80 0.26 4.33 0.41 -0.26 -4.49 118.70 120.83 3h3x s GLU 250 Ca 0.36 0.24 -0.30 0.00 -0.41 0.00 0.00 54.97 54.86 3h3x s GLU 250 Cb 0.19 -3.00 -0.11 0.00 -1.78 0.00 0.00 34.13 29.43 3h3x s GLU 250 CO 0.30 0.55 1.58 -2.14 -0.49 0.00 0.00 175.26 175.06 3h3x s PRO 251 N -1.87 4.16 -1.47 0.39 0.02 -1.26 -2.41 135.00 132.56 3h3x s PRO 251 Ca 0.33 2.51 -0.03 0.00 0.02 0.00 0.00 61.00 63.83 3h3x s PRO 251 Cb -0.14 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.33 3h3x s PRO 251 CO 0.18 -0.60 0.25 -0.25 -0.33 0.00 0.00 177.00 176.24 3h3x n ASP 252 N 2.63 -5.17 0.27 2.53 8.00 -1.26 -4.86 116.55 118.67 3h3x n ASP 252 Ca 0.09 -0.10 0.10 0.00 0.71 0.00 0.00 54.79 55.60 3h3x n ASP 252 Cb 0.38 -4.28 0.70 0.00 -0.02 0.00 0.00 41.12 37.90 3h3x n ASP 252 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 3h3x h PHE 253 N -0.55 0.00 -0.40 1.24 -0.00 -1.78 -0.17 116.94 115.29 3h3x h PHE 253 Ca -0.45 0.00 0.12 0.00 -0.00 0.00 0.00 57.97 57.64 3h3x h PHE 253 Cb 1.32 0.00 -0.02 0.00 -0.00 0.00 0.00 35.95 37.25 3h3x h PHE 253 CO 0.60 0.04 0.32 -1.49 -0.00 0.00 0.00 178.31 177.79 3h3x h TRP 254 N 0.00 0.00 0.00 6.09 4.06 -1.89 0.48 115.95 124.69 3h3x h TRP 254 Ca -0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3h3x h TRP 254 Cb 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 28.24 3h3x h TRP 254 CO 0.00 0.00 -1.61 -0.25 -3.56 0.00 0.00 178.44 173.02 3h3x n ASP 255 N -4.18 2.10 -0.07 -3.49 8.00 -0.16 -4.42 116.55 114.33 3h3x n ASP 255 Ca 0.07 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.48 3h3x n ASP 255 Cb 0.51 1.49 -0.15 0.00 -0.02 0.00 0.00 41.12 42.94 3h3x n ASP 255 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3h3x n THR 256 N -2.00 1.40 0.51 -3.53 -2.24 -0.72 -4.25 114.28 103.45 3h3x n THR 256 Ca -0.04 -0.83 0.11 0.00 -2.27 0.00 0.00 64.05 61.02 3h3x n THR 256 Cb 0.40 -0.61 0.26 0.00 -2.10 0.00 0.00 70.33 68.27 3h3x n THR 256 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3h3x n MET 257 N -2.82 2.32 -3.97 -0.78 2.81 0.16 -4.90 117.12 109.94 3h3x n MET 257 Ca -0.27 -2.00 -0.31 0.00 -1.81 0.00 0.00 57.70 53.31 3h3x n MET 257 Cb 1.10 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 32.08 3h3x n MET 257 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3h3x s THR 258 N -1.53 5.09 0.25 2.03 -4.23 -1.25 -3.79 115.64 112.20 3h3x s THR 258 Ca 0.37 -0.47 -0.30 0.00 -1.18 0.00 0.00 61.69 60.12 3h3x s THR 258 Cb 0.21 -3.45 -0.09 0.00 1.34 0.00 0.00 72.50 70.51 3h3x s THR 258 CO 0.30 0.18 1.30 -2.84 -0.54 0.00 0.00 174.62 173.02 3h3x s PRO 259 N -2.33 4.39 0.54 3.99 0.02 -1.26 -4.92 135.00 135.43 3h3x s PRO 259 Ca 0.31 2.10 0.29 0.00 0.02 0.00 0.00 61.00 63.72 3h3x s PRO 259 Cb -0.13 -3.15 1.53 0.00 0.02 0.00 0.00 34.50 32.77 3h3x s PRO 259 CO 0.24 -0.21 2.10 0.74 -0.33 0.00 0.00 177.00 179.54 3h3x h PHE 260 N 4.65 0.00 -0.62 6.54 0.04 -1.94 -2.28 116.94 123.33 3h3x h PHE 260 Ca -0.46 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.31 3h3x h PHE 260 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 3h3x h PHE 260 CO 0.60 0.10 0.00 0.66 -0.60 0.00 0.00 178.31 179.06 3h3x n TYR 261 N -3.59 1.66 -4.35 -0.55 4.01 -1.26 -4.41 117.16 108.66 3h3x n TYR 261 Ca -0.02 -0.65 -0.19 0.00 -0.16 0.00 0.00 57.90 56.88 3h3x n TYR 261 Cb 0.22 -0.33 -0.10 0.00 -0.31 0.00 0.00 39.34 38.83 3h3x n TYR 261 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 3h3x s GLU 262 N -2.14 1.35 -0.00 -0.72 0.41 -0.86 -3.85 118.70 112.89 3h3x s GLU 262 Ca 0.52 -1.61 -0.15 0.00 -0.41 0.00 0.00 54.97 53.33 3h3x s GLU 262 Cb 0.36 -1.14 -0.06 0.00 -1.78 0.00 0.00 34.13 31.51 3h3x s GLU 262 CO 0.22 0.18 0.41 -0.65 -0.49 0.00 0.00 175.26 174.93 3h3x s GLN 263 N -3.65 3.93 0.00 1.61 -1.52 -1.26 -4.43 119.66 114.34 3h3x s GLN 263 Ca 0.23 0.41 0.00 0.00 -1.95 0.00 0.00 55.36 54.05 3h3x s GLN 263 Cb -0.01 -3.23 0.00 0.00 -0.22 0.00 0.00 33.01 29.56 3h3x s GLN 263 CO 0.07 0.68 0.24 0.41 -0.25 0.00 0.00 175.29 176.44