#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h3x n PRO 6 N 0.00 -1.13 -1.67 0.00 -0.04 -1.26 -4.87 135.00 126.02 3h3x n PRO 6 Ca 0.00 -0.32 -0.50 0.00 -0.04 0.00 0.00 63.50 62.64 3h3x n PRO 6 Cb 0.00 -1.51 -0.05 0.00 -0.04 0.00 0.00 33.50 31.90 3h3x n PRO 6 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3h3x n THR 7 N -4.14 0.34 -1.70 0.52 -1.04 -1.26 -4.90 114.28 102.10 3h3x n THR 7 Ca 0.00 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.52 3h3x n THR 7 Cb 0.66 -1.57 -0.02 0.00 -1.82 0.00 0.00 70.33 67.58 3h3x n THR 7 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3h3x n PRO 8 N 5.24 2.28 -3.59 -2.82 -0.02 -1.26 -5.00 135.00 129.82 3h3x n PRO 8 Ca 0.22 0.81 -0.04 0.00 -2.02 0.00 0.00 63.50 62.46 3h3x n PRO 8 Cb 0.25 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 3h3x n PRO 8 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 3h3x s GLN 9 N -0.74 0.46 0.60 -0.52 0.74 -1.26 -4.00 119.66 114.94 3h3x s GLN 9 Ca 0.64 1.20 -0.10 0.00 0.05 0.00 0.00 55.36 57.15 3h3x s GLN 9 Cb -0.58 0.55 0.15 0.00 1.10 0.00 0.00 33.01 34.22 3h3x s GLN 9 CO 0.52 -0.28 0.61 -1.13 -0.55 0.00 0.00 175.29 174.45 3h3x n SER 10 N 5.42 -1.07 -0.91 6.67 3.41 0.36 -4.90 113.62 122.60 3h3x n SER 10 Ca -0.09 -0.97 0.07 0.00 -0.26 0.00 0.00 58.87 57.62 3h3x n SER 10 Cb 0.49 -0.53 0.23 0.00 -0.26 0.00 0.00 64.21 64.15 3h3x n SER 10 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3h3x n THR 11 N -3.49 1.71 -1.69 6.66 -2.24 -1.26 -3.33 114.28 110.64 3h3x n THR 11 Ca 0.08 -1.41 -0.44 0.00 -2.27 0.00 0.00 64.05 60.00 3h3x n THR 11 Cb 0.31 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.61 3h3x n THR 11 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3h3x n PHE 12 N 0.17 2.47 -4.05 4.78 7.35 -1.26 -4.05 117.46 122.87 3h3x n PHE 12 Ca 0.18 0.20 -0.31 0.00 -0.76 0.00 0.00 57.45 56.76 3h3x n PHE 12 Cb 0.71 -2.59 -0.16 0.00 0.35 0.00 0.00 39.48 37.79 3h3x n PHE 12 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 3h3x s THR 13 N 0.85 1.76 -4.85 -2.13 2.01 -1.26 -0.93 115.64 111.09 3h3x s THR 13 Ca 0.76 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.96 3h3x s THR 13 Cb -0.60 -1.65 0.00 0.00 0.01 0.00 0.00 72.50 70.26 3h3x s THR 13 CO 0.38 0.45 0.00 0.61 -0.69 0.00 0.00 174.62 175.37 3h3x n GLY 14 N 4.71 -2.59 3.80 4.40 0.00 -0.23 -4.99 105.19 110.29 3h3x n GLY 14 Ca -0.18 -1.30 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 3h3x n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h3x s PRO 15 N -1.99 4.14 -0.05 1.61 0.04 -1.26 -0.32 135.00 137.16 3h3x s PRO 15 Ca 0.00 1.27 0.01 0.00 0.04 0.00 0.00 61.00 62.32 3h3x s PRO 15 Cb 0.00 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 32.28 3h3x s PRO 15 CO 0.00 -0.13 -0.06 0.42 0.04 0.00 0.00 177.00 177.27 3h3x s ILE 16 N -1.98 0.70 -0.13 0.56 1.01 -0.40 -4.93 121.20 116.03 3h3x s ILE 16 Ca 0.62 -0.22 -0.00 0.00 0.00 0.00 0.00 60.65 61.05 3h3x s ILE 16 Cb -0.14 -0.70 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 3h3x s ILE 16 CO 0.18 0.26 -0.12 -0.69 0.00 0.00 0.00 174.94 174.57 3h3x s VAL 17 N 0.88 3.16 -0.26 2.92 1.01 -1.26 -1.19 120.40 125.65 3h3x s VAL 17 Ca -0.11 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.26 3h3x s VAL 17 Cb -0.15 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 33.97 3h3x s VAL 17 CO 0.01 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 3h3x s VAL 18 N 0.24 2.29 -0.23 2.92 1.01 -0.01 -5.00 120.40 121.63 3h3x s VAL 18 Ca -0.08 -1.59 -0.04 0.00 0.00 0.00 0.00 61.98 60.26 3h3x s VAL 18 Cb -0.15 -2.34 0.12 0.00 0.00 0.00 0.00 36.38 34.01 3h3x s VAL 18 CO 0.05 -0.03 0.42 -0.62 0.00 0.00 0.00 175.10 174.92 3h3x s ASP 19 N 1.13 -0.14 0.38 3.32 2.15 -1.26 -1.45 116.67 120.79 3h3x s ASP 19 Ca -0.08 0.62 -0.19 0.00 0.43 0.00 0.00 52.55 53.33 3h3x s ASP 19 Cb -0.20 1.34 -0.10 0.00 -0.30 0.00 0.00 42.92 43.66 3h3x s ASP 19 CO -0.05 -0.27 0.86 -2.16 -0.17 0.00 0.00 175.17 173.38 3h3x s PRO 20 N 2.61 4.15 -0.42 4.34 0.04 -1.26 -5.09 135.00 139.36 3h3x s PRO 20 Ca 0.07 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 61.76 3h3x s PRO 20 Cb -0.14 -2.32 0.03 0.00 0.04 0.00 0.00 34.50 32.10 3h3x s PRO 20 CO -0.15 0.07 1.12 0.42 0.04 0.00 0.00 177.00 178.49 3h3x s ILE 21 N -2.06 4.31 0.82 0.56 -1.09 -0.94 -5.03 121.20 117.77 3h3x s ILE 21 Ca 0.58 1.41 -0.09 0.00 -2.23 0.00 0.00 60.65 60.32 3h3x s ILE 21 Cb -0.10 -4.54 0.14 0.00 -1.58 0.00 0.00 42.46 36.38 3h3x s ILE 21 CO 0.15 -0.83 1.14 0.42 -1.23 0.00 0.00 174.94 174.60 3h3x s THR 22 N 4.18 2.10 -1.39 2.92 -4.23 -1.26 -4.46 115.64 113.49 3h3x s THR 22 Ca 0.47 -0.26 -0.07 0.00 -1.18 0.00 0.00 61.69 60.65 3h3x s THR 22 Cb -0.09 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 70.94 3h3x s THR 22 CO 0.26 0.00 0.91 0.54 -0.54 0.00 0.00 174.62 175.79 3h3x n ARG 23 N -3.26 -5.80 -4.20 3.99 1.74 -1.26 -4.99 116.66 102.88 3h3x n ARG 23 Ca 0.13 0.67 -0.13 0.00 -0.77 0.00 0.00 57.85 57.75 3h3x n ARG 23 Cb 0.60 -5.48 -0.09 0.00 -1.02 0.00 0.00 32.46 26.47 3h3x n ARG 23 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3h3x s ILE 24 N -3.45 0.00 -0.13 0.55 -4.36 -1.26 -4.78 121.20 107.77 3h3x s ILE 24 Ca 0.35 -1.97 -0.24 0.00 -0.26 0.00 0.00 60.65 58.52 3h3x s ILE 24 Cb -0.17 -2.49 -0.02 0.00 1.25 0.00 0.00 42.46 41.03 3h3x s ILE 24 CO 0.80 0.00 0.77 -0.70 0.24 0.00 0.00 174.94 176.05 3h3x s GLU 25 N -4.04 4.34 0.55 0.37 -6.30 -1.09 -4.98 118.70 107.56 3h3x s GLU 25 Ca 0.38 0.95 0.00 0.00 -2.50 0.00 0.00 54.97 53.80 3h3x s GLU 25 Cb 0.06 -3.53 0.00 0.00 0.00 0.00 0.00 34.13 30.66 3h3x s GLU 25 CO 0.14 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.65 3h3x n GLY 26 N 3.37 -1.79 3.00 -1.50 0.00 -1.26 -0.50 105.19 106.51 3h3x n GLY 26 Ca 0.02 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.92 3h3x n GLY 26 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3h3x s HIS 27 N 0.00 2.83 -0.02 1.61 3.76 -1.26 -4.85 115.29 117.36 3h3x s HIS 27 Ca 0.00 -2.04 0.04 0.00 -0.15 0.00 0.00 55.06 52.90 3h3x s HIS 27 Cb 0.00 -1.76 -0.01 0.00 1.11 0.00 0.00 32.58 31.93 3h3x s HIS 27 CO 0.00 -0.83 -0.12 -1.17 -0.85 0.00 0.00 174.74 171.77 3h3x s LEU 28 N 1.25 1.96 -0.10 0.89 2.96 -1.26 -0.80 118.68 123.58 3h3x s LEU 28 Ca -0.07 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.64 3h3x s LEU 28 Cb -0.19 -0.65 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 3h3x s LEU 28 CO -0.06 0.13 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.30 3h3x s ARG 29 N -0.14 3.02 -0.16 1.98 3.52 0.72 -2.21 118.95 125.67 3h3x s ARG 29 Ca 0.02 -0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 54.79 3h3x s ARG 29 Cb -0.06 -2.38 -0.01 0.00 -1.56 0.00 0.00 34.95 30.93 3h3x s ARG 29 CO -0.00 0.26 -0.09 0.42 -0.81 0.00 0.00 175.30 175.08 3h3x s ILE 30 N 0.17 3.28 -0.05 4.11 -1.09 -0.53 -0.41 121.20 126.68 3h3x s ILE 30 Ca -0.11 -0.56 0.05 0.00 -2.23 0.00 0.00 60.65 57.80 3h3x s ILE 30 Cb -0.16 -2.42 -0.02 0.00 -1.58 0.00 0.00 42.46 38.28 3h3x s ILE 30 CO 0.06 0.49 -0.21 -0.04 -1.23 0.00 0.00 174.94 174.02 3h3x s MET 31 N 0.72 2.44 0.01 2.79 -1.94 -0.82 -0.83 119.30 121.66 3h3x s MET 31 Ca -0.04 -0.82 -0.00 0.00 -1.71 0.00 0.00 55.69 53.12 3h3x s MET 31 Cb -0.15 -2.23 -0.01 0.00 2.01 0.00 0.00 34.83 34.45 3h3x s MET 31 CO 0.02 0.52 -0.01 0.14 -0.01 0.00 0.00 175.02 175.68 3h3x s VAL 32 N -0.49 0.04 -0.14 -6.03 -7.23 -0.33 -0.33 120.40 105.89 3h3x s VAL 32 Ca 0.06 -0.37 -0.13 0.00 -1.81 0.00 0.00 61.98 59.73 3h3x s VAL 32 Cb -0.11 -0.11 -0.05 0.00 0.56 0.00 0.00 36.38 36.66 3h3x s VAL 32 CO 0.01 -0.20 0.28 -1.61 -0.31 0.00 0.00 175.10 173.27 3h3x s GLU 33 N -0.60 4.11 -0.03 4.82 0.41 -0.01 -1.27 118.70 126.15 3h3x s GLU 33 Ca -0.07 0.09 0.04 0.00 -0.41 0.00 0.00 54.97 54.62 3h3x s GLU 33 Cb -0.04 -3.37 -0.03 0.00 -1.78 0.00 0.00 34.13 28.91 3h3x s GLU 33 CO -0.00 0.36 -0.13 0.08 -0.49 0.00 0.00 175.26 175.08 3h3x s VAL 34 N 0.09 3.16 -0.07 2.63 1.01 0.56 -0.73 120.40 127.06 3h3x s VAL 34 Ca 0.17 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.37 3h3x s VAL 34 Cb -0.13 -2.28 0.02 0.00 0.00 0.00 0.00 36.38 33.99 3h3x s VAL 34 CO 0.05 0.52 -0.07 -0.70 0.00 0.00 0.00 175.10 174.89 3h3x s GLU 35 N -0.97 1.23 -1.35 2.72 2.12 0.50 -1.07 118.70 121.90 3h3x s GLU 35 Ca 0.13 -0.21 -0.22 0.00 0.36 0.00 0.00 54.97 55.03 3h3x s GLU 35 Cb -0.11 -1.20 0.03 0.00 0.26 0.00 0.00 34.13 33.11 3h3x s GLU 35 CO 0.02 -0.12 0.42 0.09 -0.54 0.00 0.00 175.26 175.14 3h3x n ASN 36 N 4.31 -2.17 0.00 -1.70 3.02 -0.91 -1.65 115.26 116.17 3h3x n ASN 36 Ca -0.19 -1.30 0.00 0.00 -0.03 0.00 0.00 54.58 53.06 3h3x n ASN 36 Cb 0.51 -1.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.05 3h3x n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h3x n GLY 37 N -2.29 0.45 3.43 7.41 0.00 -0.11 -4.72 105.19 109.37 3h3x n GLY 37 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 3h3x n GLY 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3x s LYS 38 N -0.61 1.95 -0.07 1.61 1.02 -0.66 -0.01 119.74 122.97 3h3x s LYS 38 Ca 0.00 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 54.65 3h3x s LYS 38 Cb 0.00 -2.12 -0.05 0.00 -0.52 0.00 0.00 37.83 35.14 3h3x s LYS 38 CO 0.00 0.52 1.57 0.08 -0.92 0.00 0.00 175.35 176.60 3h3x s VAL 39 N -0.93 3.73 -0.05 3.17 1.01 -0.07 -0.37 120.40 126.89 3h3x s VAL 39 Ca 0.14 0.89 0.20 0.00 0.00 0.00 0.00 61.98 63.21 3h3x s VAL 39 Cb -0.10 -3.57 -0.31 0.00 0.00 0.00 0.00 36.38 32.39 3h3x s VAL 39 CO 0.05 -0.08 0.40 2.29 0.00 0.00 0.00 175.10 177.76 3h3x n LYS 40 N 6.97 0.66 -3.60 2.72 2.85 0.09 -1.01 118.16 126.84 3h3x n LYS 40 Ca 0.16 -0.16 -0.13 0.00 -1.05 0.00 0.00 58.31 57.13 3h3x n LYS 40 Cb 0.43 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 33.26 3h3x n LYS 40 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3h3x s ASP 41 N -4.56 -0.38 0.04 -5.58 -1.08 -1.09 -4.95 116.67 99.07 3h3x s ASP 41 Ca -0.08 0.05 -0.16 0.00 -0.52 0.00 0.00 52.55 51.85 3h3x s ASP 41 Cb 0.12 0.48 0.03 0.00 -1.46 0.00 0.00 42.92 42.08 3h3x s ASP 41 CO 0.86 -0.73 0.35 0.00 0.52 0.00 0.00 175.17 176.16 3h3x s ALA 42 N -2.70 -0.82 -0.02 3.66 0.00 -1.26 -0.83 121.76 119.79 3h3x s ALA 42 Ca -0.04 0.14 -0.00 0.00 0.00 0.00 0.00 51.96 52.06 3h3x s ALA 42 Cb -0.00 0.32 0.03 0.00 0.00 0.00 0.00 23.12 23.47 3h3x s ALA 42 CO -0.04 -0.43 0.04 -1.58 0.00 0.00 0.00 175.76 173.76 3h3x s TRP 43 N -2.48 0.00 -0.35 0.00 0.51 0.55 -4.95 118.94 112.23 3h3x s TRP 43 Ca -0.05 0.16 -0.09 0.00 -2.12 0.00 0.00 56.10 54.00 3h3x s TRP 43 Cb -0.01 -0.20 0.03 0.00 -0.81 0.00 0.00 33.47 32.48 3h3x s TRP 43 CO -0.03 -0.09 0.16 0.45 -0.51 0.00 0.00 176.95 176.93 3h3x s SER 44 N 0.99 5.52 -0.33 2.95 0.15 -1.26 -1.95 113.70 119.76 3h3x s SER 44 Ca -0.08 -0.97 0.01 0.00 0.70 0.00 0.00 55.95 55.62 3h3x s SER 44 Cb -0.12 -1.96 0.09 0.00 -1.71 0.00 0.00 66.02 62.32 3h3x s SER 44 CO -0.03 -0.33 0.05 -0.55 1.20 0.00 0.00 173.24 173.58 3h3x s SER 45 N 1.51 4.83 0.10 5.45 0.15 0.45 -4.41 113.70 121.78 3h3x s SER 45 Ca 0.01 -1.86 -0.30 0.00 0.70 0.00 0.00 55.95 54.50 3h3x s SER 45 Cb -0.19 -1.67 -0.06 0.00 -1.71 0.00 0.00 66.02 62.39 3h3x s SER 45 CO 0.05 -0.36 1.04 -0.44 1.20 0.00 0.00 173.24 174.73 3h3x s SER 46 N 1.19 7.35 0.00 5.45 0.01 -1.26 -0.20 113.70 126.24 3h3x s SER 46 Ca 0.04 1.88 0.09 0.00 1.31 0.00 0.00 55.95 59.27 3h3x s SER 46 Cb -0.20 -2.59 0.20 0.00 0.21 0.00 0.00 66.02 63.64 3h3x s SER 46 CO -0.06 -0.20 1.09 0.00 0.41 0.00 0.00 173.24 174.48 3h3x n GLN 47 N 3.05 2.15 -3.92 12.44 1.13 0.02 -2.53 117.38 129.72 3h3x n GLN 47 Ca 0.04 -1.69 -0.15 0.00 -1.94 0.00 0.00 57.00 53.26 3h3x n GLN 47 Cb 0.48 -1.20 -0.15 0.00 0.11 0.00 0.00 30.24 29.48 3h3x n GLN 47 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3h3x s LEU 48 N -0.93 1.57 -0.09 1.08 2.96 -1.26 -5.02 118.68 116.99 3h3x s LEU 48 Ca 0.16 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 3h3x s LEU 48 Cb 0.09 -0.13 0.00 0.00 0.50 0.00 0.00 46.19 46.66 3h3x s LEU 48 CO 0.12 -0.04 -0.21 0.12 -1.32 0.00 0.00 176.35 175.02 3h3x s PHE 49 N 0.49 2.29 -0.16 5.38 5.36 -1.26 -4.86 117.98 125.23 3h3x s PHE 49 Ca -0.05 -0.93 -0.02 0.00 -0.96 0.00 0.00 56.93 54.97 3h3x s PHE 49 Cb -0.07 -1.56 -0.09 0.00 -0.34 0.00 0.00 43.02 40.96 3h3x s PHE 49 CO -0.01 -0.39 -0.16 0.54 -1.46 0.00 0.00 175.22 173.73 3h3x n ARG 50 N 3.61 0.38 -1.80 10.12 1.74 -1.26 -5.09 116.66 124.37 3h3x n ARG 50 Ca -0.20 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 3h3x n ARG 50 Cb 0.53 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.72 3h3x n ARG 50 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h3x n GLY 51 N 2.51 0.65 0.30 -0.13 0.00 -1.02 -4.97 105.19 102.53 3h3x n GLY 51 Ca -0.29 -0.46 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 3h3x n GLY 51 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h3x h LEU 52 N 0.00 0.82 -0.76 0.99 3.38 -1.48 -1.75 115.31 116.50 3h3x h LEU 52 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3h3x h LEU 52 Cb 0.82 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 3h3x h LEU 52 CO 0.00 0.55 0.42 -0.33 0.09 0.00 0.00 178.44 179.17 3h3x h GLU 53 N 0.96 0.69 -0.07 1.13 5.08 -1.83 -0.56 114.58 119.98 3h3x h GLU 53 Ca 0.32 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.64 3h3x h GLU 53 Cb 0.05 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.14 3h3x h GLU 53 CO -0.13 0.46 0.02 0.82 -1.00 0.00 0.00 179.01 179.18 3h3x h ILE 54 N 0.71 1.18 -0.76 3.13 2.04 -1.79 -3.16 117.51 118.87 3h3x h ILE 54 Ca 0.37 -0.54 0.08 0.00 1.00 0.00 0.00 64.86 65.76 3h3x h ILE 54 Cb 0.33 1.42 -0.05 0.00 -0.74 0.00 0.00 36.82 37.78 3h3x h ILE 54 CO -0.24 0.15 0.50 0.40 0.00 0.00 0.00 178.15 178.96 3h3x h ILE 55 N -0.09 1.00 0.00 -0.67 2.04 -0.79 -2.61 117.51 116.38 3h3x h ILE 55 Ca 0.02 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.57 3h3x h ILE 55 Cb 0.23 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.47 3h3x h ILE 55 CO -0.00 0.14 -0.27 -0.07 0.00 0.00 0.00 178.15 177.95 3h3x h LEU 56 N 0.75 0.00 -9.44 1.44 3.38 -1.08 -3.45 115.31 106.91 3h3x h LEU 56 Ca 0.33 0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.72 3h3x h LEU 56 Cb 0.33 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.12 3h3x h LEU 56 CO -0.12 0.27 0.94 1.17 0.09 0.00 0.00 178.44 180.78 3h3x n LYS 57 N -3.75 2.26 -0.21 1.13 4.81 -0.99 -1.44 118.16 119.97 3h3x n LYS 57 Ca -0.01 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 3h3x n LYS 57 Cb 0.37 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.79 3h3x n LYS 57 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3h3x n GLY 58 N 3.84 1.28 3.94 3.14 0.00 0.19 -5.00 105.19 112.59 3h3x n GLY 58 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 3h3x n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h3x s ARG 59 N -0.46 2.15 -0.07 1.61 0.52 -0.52 -4.60 118.95 117.58 3h3x s ARG 59 Ca 0.00 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 54.48 3h3x s ARG 59 Cb 0.00 -2.23 -0.05 0.00 0.52 0.00 0.00 34.95 33.19 3h3x s ARG 59 CO 0.00 -1.21 1.70 0.34 0.02 0.00 0.00 175.30 176.15 3h3x s ASP 60 N -4.53 6.57 0.56 0.23 -1.08 -1.26 -1.11 116.67 116.05 3h3x s ASP 60 Ca 0.61 2.19 0.31 0.00 -0.52 0.00 0.00 52.55 55.14 3h3x s ASP 60 Cb -0.10 -2.53 1.46 0.00 -1.46 0.00 0.00 42.92 40.29 3h3x s ASP 60 CO 0.44 -1.01 1.84 -0.65 0.52 0.00 0.00 175.17 176.31 3h3x h PRO 61 N 9.95 0.00 -0.04 4.34 0.11 -1.91 0.18 132.00 144.63 3h3x h PRO 61 Ca -0.40 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.70 3h3x h PRO 61 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3h3x h PRO 61 CO 0.96 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.73 3h3x h ARG 62 N 0.00 0.06 0.00 1.05 3.08 -1.95 -2.82 114.38 113.79 3h3x h ARG 62 Ca 0.38 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.38 3h3x h ARG 62 Cb 1.69 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.73 3h3x h ARG 62 CO -0.00 0.09 -0.20 -0.44 -1.07 0.00 0.00 179.97 178.35 3h3x h ASP 63 N 0.06 0.00 -0.74 7.04 3.32 -1.03 -3.39 116.42 121.69 3h3x h ASP 63 Ca 0.01 0.00 0.12 0.00 0.02 0.00 0.00 57.03 57.18 3h3x h ASP 63 Cb 0.08 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 39.50 3h3x h ASP 63 CO 0.00 0.20 -0.39 0.00 -1.72 0.00 0.00 179.24 177.33 3h3x h ALA 64 N 1.80 -0.07 -0.81 3.45 0.00 -1.51 -0.25 119.26 121.87 3h3x h ALA 64 Ca -0.00 0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.26 3h3x h ALA 64 Cb 1.02 0.93 -0.06 0.00 0.00 0.00 0.00 17.79 19.68 3h3x h ALA 64 CO 0.03 -0.71 0.54 -0.56 0.00 0.00 0.00 179.25 178.55 3h3x h GLN 65 N -0.12 0.40 0.00 0.00 3.07 -1.80 0.21 115.11 116.88 3h3x h GLN 65 Ca 0.25 -0.02 -0.21 0.00 0.09 0.00 0.00 58.65 58.76 3h3x h GLN 65 Cb 0.56 -0.09 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 3h3x h GLN 65 CO -0.79 0.26 -0.90 0.45 0.09 0.00 0.00 178.83 177.94 3h3x h HIS 66 N 0.41 0.39 -0.02 0.06 3.86 -1.32 -1.52 115.15 117.00 3h3x h HIS 66 Ca 0.40 -0.21 -0.03 0.00 -1.16 0.00 0.00 60.37 59.37 3h3x h HIS 66 Cb 0.96 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.39 3h3x h HIS 66 CO -0.00 1.03 -0.10 0.74 0.86 0.00 0.00 177.93 180.46 3h3x h PHE 67 N 0.14 0.13 -0.09 2.45 -1.00 -0.92 -3.36 116.94 114.31 3h3x h PHE 67 Ca -0.05 -0.06 -0.10 0.00 2.81 0.00 0.00 57.97 60.56 3h3x h PHE 67 Cb 1.53 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 41.06 3h3x h PHE 67 CO 0.04 0.75 -0.41 1.79 -1.61 0.00 0.00 178.31 178.87 3h3x h THR 68 N -0.53 1.31 -0.82 -1.55 1.35 -0.67 -2.03 112.91 109.97 3h3x h THR 68 Ca -0.01 -1.50 0.20 0.00 -0.55 0.00 0.00 66.41 64.55 3h3x h THR 68 Cb 0.77 1.70 -0.05 0.00 -1.73 0.00 0.00 68.15 68.84 3h3x h THR 68 CO 0.02 0.44 0.56 -0.61 -0.25 0.00 0.00 175.52 175.68 3h3x h GLN 69 N 0.16 0.23 0.00 4.72 4.15 -1.41 0.32 115.11 123.28 3h3x h GLN 69 Ca 0.01 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3h3x h GLN 69 Cb 0.80 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.44 3h3x h GLN 69 CO 0.06 0.15 0.00 0.54 -1.93 0.00 0.00 178.83 177.65 3h3x n ARG 70 N -4.42 0.75 0.27 1.69 3.00 -0.76 -3.09 116.66 114.10 3h3x n ARG 70 Ca 0.17 0.00 0.11 0.00 -0.01 0.00 0.00 57.85 58.11 3h3x n ARG 70 Cb 0.73 -1.50 0.74 0.00 0.00 0.00 0.00 32.46 32.43 3h3x n ARG 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h3x h ALA 71 N 3.50 1.83 -1.90 7.54 0.00 -0.45 -3.43 119.26 126.35 3h3x h ALA 71 Ca 0.00 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3h3x h ALA 71 Cb 0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.57 3h3x h ALA 71 CO 0.00 0.00 0.17 0.00 0.00 0.00 0.00 179.25 179.42 3h3x n GLY 73 N 3.16 -0.04 0.06 0.00 0.00 -1.26 -3.71 105.19 103.40 3h3x n GLY 73 Ca -0.16 -0.58 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 3h3x n GLY 73 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3h3x h MET 74 N 2.06 0.00 -2.29 1.61 4.05 -1.96 -3.29 114.93 115.11 3h3x h MET 74 Ca 0.00 0.00 -0.46 0.00 -0.28 0.00 0.00 59.70 58.96 3h3x h MET 74 Cb 0.67 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.38 3h3x h MET 74 CO 0.00 0.36 1.10 0.00 0.23 0.00 0.00 176.91 178.60 3h3x n THR 76 N 2.15 0.00 0.00 0.00 5.66 -1.24 -3.35 114.28 117.50 3h3x n THR 76 Ca 0.55 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 61.34 3h3x n THR 76 Cb 0.58 -0.83 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 3h3x n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h3x n TYR 77 N -4.28 0.00 -0.04 1.09 9.36 -1.26 -4.74 117.16 117.29 3h3x n TYR 77 Ca 0.07 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.40 3h3x n TYR 77 Cb 0.55 0.00 0.51 0.00 -0.63 0.00 0.00 39.34 39.77 3h3x n TYR 77 CO 0.00 0.00 0.00 -0.39 0.22 0.00 0.00 176.86 176.69 3h3x h VAL 78 N 0.00 0.92 0.05 2.97 -1.51 -1.93 0.67 116.25 117.42 3h3x h VAL 78 Ca 0.00 -0.13 -0.23 0.00 -1.23 0.00 0.00 66.70 65.11 3h3x h VAL 78 Cb 0.00 0.52 -0.01 0.00 -2.13 0.00 0.00 31.29 29.67 3h3x h VAL 78 CO 0.00 0.07 -1.06 0.45 -1.23 0.00 0.00 177.57 175.80 3h3x h HIS 79 N 0.37 0.32 -0.52 5.19 3.86 -1.85 -0.66 115.15 121.86 3h3x h HIS 79 Ca 0.24 -0.21 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 3h3x h HIS 79 Cb 0.45 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 28.88 3h3x h HIS 79 CO -0.00 1.11 0.29 0.00 0.86 0.00 0.00 177.93 180.19 3h3x h ALA 80 N 0.81 0.66 -0.05 2.45 0.00 -1.14 -0.87 119.26 121.12 3h3x h ALA 80 Ca -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h3x h ALA 80 Cb 1.76 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 3h3x h ALA 80 CO 0.16 0.17 0.03 1.25 0.00 0.00 0.00 179.25 180.86 3h3x h LEU 81 N 0.69 0.07 -1.11 0.00 5.85 -0.85 -0.96 115.31 118.99 3h3x h LEU 81 Ca 0.18 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3h3x h LEU 81 Cb 0.03 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 3h3x h LEU 81 CO -0.03 0.12 0.37 0.00 -0.34 0.00 0.00 178.44 178.55 3h3x h ALA 82 N 0.95 1.32 -0.21 1.25 0.00 -1.05 -0.88 119.26 120.64 3h3x h ALA 82 Ca 0.02 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 3h3x h ALA 82 Cb 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3h3x h ALA 82 CO -0.00 0.54 -0.51 0.77 0.00 0.00 0.00 179.25 180.05 3h3x h SER 83 N 0.99 0.65 -0.33 0.00 0.02 -1.05 -1.83 113.55 112.00 3h3x h SER 83 Ca 0.25 -0.33 -0.06 0.00 -0.84 0.00 0.00 61.79 60.81 3h3x h SER 83 Cb 0.06 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 3h3x h SER 83 CO -0.04 1.05 -0.01 0.28 -1.14 0.00 0.00 176.83 176.96 3h3x h SER 84 N 0.46 0.58 -0.65 3.07 0.02 -0.70 -0.11 113.55 116.22 3h3x h SER 84 Ca 0.02 -0.32 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 3h3x h SER 84 Cb 1.06 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 3h3x h SER 84 CO 0.10 0.76 0.41 0.03 -1.14 0.00 0.00 176.83 176.99 3h3x h ARG 85 N 0.39 0.78 0.03 3.45 3.08 -1.18 0.15 114.38 121.08 3h3x h ARG 85 Ca 0.09 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3h3x h ARG 85 Cb 0.47 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.34 3h3x h ARG 85 CO 0.02 0.52 -0.01 0.00 -1.07 0.00 0.00 179.97 179.42 3h3x h VAL 87 N -0.11 1.37 -0.54 0.00 2.07 -0.92 -0.35 116.25 117.78 3h3x h VAL 87 Ca -0.00 -1.95 0.03 0.00 0.82 0.00 0.00 66.70 65.60 3h3x h VAL 87 Cb 0.09 1.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 3h3x h VAL 87 CO 0.01 0.58 0.31 0.44 0.02 0.00 0.00 177.57 178.93 3h3x h ASP 88 N 0.21 0.48 -0.55 0.57 3.32 -0.39 -0.32 116.42 119.75 3h3x h ASP 88 Ca -0.00 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 3h3x h ASP 88 Cb 1.10 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.55 3h3x h ASP 88 CO 0.10 0.34 0.06 -0.78 -1.72 0.00 0.00 179.24 177.23 3h3x h ASP 89 N 0.61 0.89 -0.44 6.45 3.58 -0.39 -0.78 116.42 126.34 3h3x h ASP 89 Ca 0.23 -0.28 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 3h3x h ASP 89 Cb 0.07 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.85 3h3x h ASP 89 CO -0.12 0.95 0.13 0.00 -2.88 0.00 0.00 179.24 177.31 3h3x h ALA 90 N 0.98 1.28 -0.07 -0.78 0.00 -0.65 -2.68 119.26 117.34 3h3x h ALA 90 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h3x h ALA 90 Cb 0.45 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3h3x h ALA 90 CO 0.02 0.51 0.00 1.33 0.00 0.00 0.00 179.25 181.10 3h3x n VAL 91 N -4.29 0.07 -3.33 0.00 0.24 -0.17 -4.62 118.33 106.23 3h3x n VAL 91 Ca 0.04 -0.38 -0.21 0.00 -2.04 0.00 0.00 64.34 61.75 3h3x n VAL 91 Cb 0.21 0.85 0.06 0.00 -1.47 0.00 0.00 33.84 33.49 3h3x n VAL 91 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3h3x n LYS 92 N 0.68 -6.34 -3.96 7.34 5.02 -0.38 -4.67 118.16 115.85 3h3x n LYS 92 Ca 0.17 0.74 -0.36 0.00 -2.02 0.00 0.00 58.31 56.84 3h3x n LYS 92 Cb 0.45 -5.44 -0.08 0.00 -0.02 0.00 0.00 35.03 29.95 3h3x n LYS 92 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3h3x s VAL 93 N -3.24 5.12 -0.29 -0.18 0.11 -0.72 -5.04 120.40 116.16 3h3x s VAL 93 Ca 0.45 0.07 -0.14 0.00 -2.93 0.00 0.00 61.98 59.44 3h3x s VAL 93 Cb -0.20 -3.26 -0.03 0.00 -1.53 0.00 0.00 36.38 31.36 3h3x s VAL 93 CO 0.56 0.55 0.32 -0.55 -3.33 0.00 0.00 175.10 172.65 3h3x s SER 94 N -0.41 6.18 0.51 3.54 0.15 -1.26 -4.63 113.70 117.78 3h3x s SER 94 Ca 0.10 0.09 -0.21 0.00 0.70 0.00 0.00 55.95 56.63 3h3x s SER 94 Cb -0.12 -2.18 -0.06 0.00 -1.71 0.00 0.00 66.02 61.95 3h3x s SER 94 CO 0.02 -0.19 1.19 0.27 1.20 0.00 0.00 173.24 175.73 3h3x s ILE 95 N 1.98 2.92 0.59 6.45 -4.36 -1.26 -4.76 121.20 122.75 3h3x s ILE 95 Ca 0.12 0.65 -0.19 0.00 -0.26 0.00 0.00 60.65 60.97 3h3x s ILE 95 Cb -0.16 -3.31 -0.03 0.00 1.25 0.00 0.00 42.46 40.21 3h3x s ILE 95 CO 0.11 -0.05 1.26 -2.84 0.24 0.00 0.00 174.94 173.65 3h3x s PRO 96 N -2.93 2.92 0.34 0.37 0.02 -1.26 -4.77 135.00 129.70 3h3x s PRO 96 Ca 0.68 1.97 0.14 0.00 0.02 0.00 0.00 61.00 63.81 3h3x s PRO 96 Cb -0.29 -1.99 1.04 0.00 0.02 0.00 0.00 34.50 33.28 3h3x s PRO 96 CO 0.35 -1.28 1.69 0.00 -0.33 0.00 0.00 177.00 177.43 3h3x h ALA 97 N 0.96 1.97 -0.46 -1.55 0.00 -1.94 0.56 119.26 118.80 3h3x h ALA 97 Ca -0.51 0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 3h3x h ALA 97 Cb 1.31 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 3h3x h ALA 97 CO 0.55 -0.52 -0.15 -0.91 0.00 0.00 0.00 179.25 178.23 3h3x h ASN 98 N 0.40 0.86 -0.59 0.00 2.35 -1.91 -1.14 115.58 115.55 3h3x h ASN 98 Ca 0.70 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 56.11 3h3x h ASN 98 Cb 1.56 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.67 3h3x h ASN 98 CO -0.53 1.01 0.16 0.00 -1.65 0.00 0.00 177.43 176.42 3h3x h ALA 99 N 1.07 0.77 -0.06 -0.83 0.00 -1.14 -0.97 119.26 118.09 3h3x h ALA 99 Ca 0.12 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.84 3h3x h ALA 99 Cb 0.67 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3h3x h ALA 99 CO 0.05 0.46 -0.10 -0.09 0.00 0.00 0.00 179.25 179.57 3h3x h ARG 100 N 0.84 -0.14 -0.38 0.00 2.43 -0.93 -1.14 114.38 115.06 3h3x h ARG 100 Ca 0.19 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.36 3h3x h ARG 100 Cb 0.32 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3h3x h ARG 100 CO -0.00 -0.09 0.21 0.52 -1.51 0.00 0.00 179.97 179.09 3h3x h MET 101 N -0.14 0.52 -0.47 0.20 2.86 -1.11 -1.86 114.93 114.93 3h3x h MET 101 Ca 0.06 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3h3x h MET 101 Cb 0.23 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 3h3x h MET 101 CO -0.15 0.42 0.23 1.98 1.06 0.00 0.00 176.91 180.46 3h3x h MET 102 N 0.48 0.67 -0.63 1.72 1.85 -1.10 -0.85 114.93 117.07 3h3x h MET 102 Ca 0.13 -0.09 -0.01 0.00 -0.61 0.00 0.00 59.70 59.12 3h3x h MET 102 Cb 0.05 -0.12 -0.03 0.00 0.43 0.00 0.00 31.60 31.93 3h3x h MET 102 CO -0.02 0.56 0.34 0.00 -0.40 0.00 0.00 176.91 177.38 3h3x h ARG 103 N 0.61 0.88 -0.32 0.39 3.08 -1.10 -2.27 114.38 115.66 3h3x h ARG 103 Ca 0.16 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 60.00 3h3x h ARG 103 Cb 0.10 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3h3x h ARG 103 CO -0.02 0.67 -0.23 -0.91 -1.07 0.00 0.00 179.97 178.41 3h3x h ASN 104 N 0.86 0.62 -0.42 7.04 2.35 -1.21 -2.53 115.58 122.29 3h3x h ASN 104 Ca 0.22 -0.21 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 3h3x h ASN 104 Cb 0.05 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 3h3x h ASN 104 CO -0.03 0.84 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.43 3h3x h LEU 105 N 0.54 0.85 -0.69 1.61 3.38 -0.87 -1.41 115.31 118.72 3h3x h LEU 105 Ca 0.08 -0.25 -0.12 0.00 0.09 0.00 0.00 57.88 57.68 3h3x h LEU 105 Cb 0.68 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3h3x h LEU 105 CO 0.05 0.96 -0.28 0.58 0.09 0.00 0.00 178.44 179.84 3h3x h VAL 106 N 0.78 1.28 -0.24 1.22 2.07 -1.34 0.66 116.25 120.69 3h3x h VAL 106 Ca 0.13 -1.40 0.03 0.00 0.82 0.00 0.00 66.70 66.28 3h3x h VAL 106 Cb 0.58 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 3h3x h VAL 106 CO 0.04 0.46 0.05 -0.03 0.02 0.00 0.00 177.57 178.11 3h3x h MET 107 N 0.61 0.14 -0.43 1.57 1.85 -1.27 -0.17 114.93 117.23 3h3x h MET 107 Ca 0.08 -0.01 0.07 0.00 -0.61 0.00 0.00 59.70 59.23 3h3x h MET 107 Cb 0.79 -0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.72 3h3x h MET 107 CO 0.06 0.09 0.06 0.00 -0.40 0.00 0.00 176.91 176.73 3h3x h ALA 108 N 1.17 0.45 -0.95 0.39 0.00 -0.75 0.13 119.26 119.70 3h3x h ALA 108 Ca 0.11 0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.16 3h3x h ALA 108 Cb 0.10 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 3h3x h ALA 108 CO -0.14 -0.34 0.61 0.77 0.00 0.00 0.00 179.25 180.16 3h3x h SER 109 N 0.19 1.01 -0.50 0.00 0.02 -0.74 -2.22 113.55 111.31 3h3x h SER 109 Ca 0.21 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 3h3x h SER 109 Cb 0.27 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 3h3x h SER 109 CO -0.29 0.68 0.20 -0.61 -1.14 0.00 0.00 176.83 175.66 3h3x h GLN 110 N 1.17 0.75 -0.40 3.45 5.75 0.04 -1.77 115.11 124.09 3h3x h GLN 110 Ca 0.39 -0.14 0.07 0.00 -0.15 0.00 0.00 58.65 58.82 3h3x h GLN 110 Cb 0.05 -0.12 -0.06 0.00 1.07 0.00 0.00 27.48 28.42 3h3x h GLN 110 CO -0.14 0.67 0.02 1.88 -2.65 0.00 0.00 178.83 178.61 3h3x h TYR 111 N 0.67 0.02 -0.33 3.99 -1.99 -0.73 0.81 116.97 119.41 3h3x h TYR 111 Ca 0.17 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.90 3h3x h TYR 111 Cb 0.20 0.05 -0.01 0.00 2.00 0.00 0.00 36.73 38.97 3h3x h TYR 111 CO 0.00 -0.06 0.11 -0.07 -0.00 0.00 0.00 178.16 178.15 3h3x h LEU 112 N 0.13 0.48 -0.09 3.88 3.38 -1.19 -1.27 115.31 120.63 3h3x h LEU 112 Ca 0.20 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3h3x h LEU 112 Cb 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3h3x h LEU 112 CO -0.31 0.54 0.06 -0.74 0.09 0.00 0.00 178.44 178.08 3h3x h HIS 113 N 0.38 0.12 -0.07 1.13 2.76 -1.12 -2.98 115.15 115.38 3h3x h HIS 113 Ca 0.11 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3h3x h HIS 113 Cb 0.23 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 29.15 3h3x h HIS 113 CO 0.00 0.12 -0.01 0.22 -1.30 0.00 0.00 177.93 176.97 3h3x h ASP 114 N 0.09 0.13 -0.32 3.26 1.82 -0.64 -2.57 116.42 118.19 3h3x h ASP 114 Ca 0.03 -0.35 -0.05 0.00 -0.39 0.00 0.00 57.03 56.28 3h3x h ASP 114 Cb 0.04 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 39.99 3h3x h ASP 114 CO -0.01 0.45 0.05 0.45 -1.61 0.00 0.00 179.24 178.57 3h3x h HIS 115 N -0.19 0.65 0.06 0.28 3.86 -1.34 -0.40 115.15 118.07 3h3x h HIS 115 Ca 0.02 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 3h3x h HIS 115 Cb 0.39 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3h3x h HIS 115 CO 0.05 0.60 -0.03 -0.07 0.86 0.00 0.00 177.93 179.33 3h3x h LEU 116 N 0.61 -0.07 -1.19 2.43 3.38 -1.43 -2.08 115.31 116.96 3h3x h LEU 116 Ca 0.13 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.74 3h3x h LEU 116 Cb 0.31 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3h3x h LEU 116 CO 0.01 0.35 0.55 0.58 0.09 0.00 0.00 178.44 180.01 3h3x h VAL 117 N -0.50 1.20 0.04 1.22 2.07 -1.39 -2.42 116.25 116.47 3h3x h VAL 117 Ca -0.01 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 3h3x h VAL 117 Cb 0.44 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 3h3x h VAL 117 CO 0.01 0.20 -0.02 -0.74 0.02 0.00 0.00 177.57 177.05 3h3x h HIS 118 N 1.11 -0.04 0.45 1.57 -0.00 -0.98 0.14 115.15 117.40 3h3x h HIS 118 Ca 0.31 -0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.65 3h3x h HIS 118 Cb -0.11 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 3h3x h HIS 118 CO -0.00 0.16 -0.22 0.35 -0.00 0.00 0.00 177.93 178.22 3h3x h PHE 119 N -0.24 -0.56 -0.03 5.26 3.57 -1.22 0.54 116.94 124.26 3h3x h PHE 119 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 3h3x h PHE 119 Cb 0.22 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.15 3h3x h PHE 119 CO -0.01 -0.32 -0.07 1.88 -2.23 0.00 0.00 178.31 177.56 3h3x h TYR 120 N -0.66 0.12 0.00 0.41 0.05 -1.48 0.29 116.97 115.70 3h3x h TYR 120 Ca -0.06 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.67 3h3x h TYR 120 Cb 0.49 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.21 3h3x h TYR 120 CO -0.03 0.67 -1.74 0.72 -1.05 0.00 0.00 178.16 176.73 3h3x n HIS 121 N -4.71 0.05 -0.07 4.88 8.25 0.48 -3.85 115.22 120.25 3h3x n HIS 121 Ca -0.08 0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.27 3h3x n HIS 121 Cb 0.34 -0.43 -0.06 0.00 1.12 0.00 0.00 29.99 30.97 3h3x n HIS 121 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h3x n LEU 122 N -2.13 1.96 -0.00 2.41 4.77 -0.86 -4.84 117.00 118.31 3h3x n LEU 122 Ca -0.02 0.06 -0.20 0.00 -0.03 0.00 0.00 56.01 55.81 3h3x n LEU 122 Cb 0.52 -0.44 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 3h3x n LEU 122 CO 0.45 0.50 -0.80 1.57 -1.33 0.00 0.00 177.39 177.78 3h3x n HIS 123 N -3.28 1.20 -0.02 -1.77 -0.00 0.18 -4.57 115.22 106.96 3h3x n HIS 123 Ca -0.26 0.27 0.02 0.00 0.46 0.00 0.00 57.72 58.21 3h3x n HIS 123 Cb 0.73 -1.16 0.36 0.00 -0.12 0.00 0.00 29.99 29.80 3h3x n HIS 123 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3h3x h ALA 124 N 0.15 1.57 0.00 1.57 0.00 -0.53 -0.78 119.26 121.25 3h3x h ALA 124 Ca -0.42 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3h3x h ALA 124 Cb 2.03 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.65 3h3x h ALA 124 CO 0.08 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.96 3h3x n LEU 125 N -4.41 0.34 0.22 0.00 4.77 -1.26 -0.66 117.00 116.01 3h3x n LEU 125 Ca 0.03 0.65 0.12 0.00 -0.03 0.00 0.00 56.01 56.78 3h3x n LEU 125 Cb 0.12 -0.68 0.31 0.00 -2.33 0.00 0.00 43.42 40.83 3h3x n LEU 125 CO 0.37 -0.72 0.80 0.44 -1.33 0.00 0.00 177.39 176.95 3h3x h ASP 126 N 0.00 0.00 0.00 -1.43 3.32 -1.43 -3.37 116.42 113.51 3h3x h ASP 126 Ca 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 3h3x h ASP 126 Cb 0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3h3x h ASP 126 CO 0.00 0.10 -1.22 0.79 -1.72 0.00 0.00 179.24 177.19 3h3x n TRP 127 N -3.15 0.00 -4.16 4.55 7.02 0.06 -4.94 117.44 116.81 3h3x n TRP 127 Ca 0.02 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.16 3h3x n TRP 127 Cb 0.50 -0.13 -0.13 0.00 -2.42 0.00 0.00 31.31 29.12 3h3x n TRP 127 CO 0.00 0.00 0.00 0.08 -2.02 0.00 0.00 177.69 175.75 3h3x s VAL 128 N -2.22 3.81 -0.75 -0.99 1.01 0.17 -4.56 120.40 116.86 3h3x s VAL 128 Ca -0.02 -0.37 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 3h3x s VAL 128 Cb 0.02 -2.71 0.13 0.00 0.00 0.00 0.00 36.38 33.82 3h3x s VAL 128 CO 0.17 0.45 0.89 -0.62 0.00 0.00 0.00 175.10 175.99 3h3x s ASP 129 N 0.90 6.43 0.40 3.32 -1.08 -1.26 -4.61 116.67 120.77 3h3x s ASP 129 Ca 0.00 -1.79 0.13 0.00 -0.52 0.00 0.00 52.55 50.37 3h3x s ASP 129 Cb -0.14 -2.33 0.96 0.00 -1.46 0.00 0.00 42.92 39.94 3h3x s ASP 129 CO 0.02 -1.05 1.92 0.58 0.52 0.00 0.00 175.17 177.15 3h3x h VAL 130 N 5.71 0.84 -0.00 1.11 2.07 -1.94 -0.82 116.25 123.22 3h3x h VAL 130 Ca -0.08 -0.18 -0.14 0.00 0.82 0.00 0.00 66.70 67.13 3h3x h VAL 130 Cb 1.06 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 3h3x h VAL 130 CO 1.06 0.09 -0.66 0.71 0.02 0.00 0.00 177.57 178.80 3h3x h THR 131 N 0.52 1.47 0.00 2.57 1.35 -1.93 -2.91 112.91 113.98 3h3x h THR 131 Ca 0.38 -2.25 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 3h3x h THR 131 Cb 0.73 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.36 3h3x h THR 131 CO -0.13 0.64 0.00 0.00 -0.25 0.00 0.00 175.52 175.78 3h3x h ALA 132 N 1.34 1.00 0.00 6.62 0.00 -1.53 -2.67 119.26 124.02 3h3x h ALA 132 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h3x h ALA 132 Cb 1.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 3h3x h ALA 132 CO 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 179.25 179.33 3h3x h ALA 133 N 2.11 1.57 0.00 0.00 0.00 -1.46 -1.28 119.26 120.20 3h3x h ALA 133 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3h3x h ALA 133 Cb 0.60 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 3h3x h ALA 133 CO 0.00 0.00 -0.09 -0.07 0.00 0.00 0.00 179.25 179.10 3h3x h LEU 134 N 0.00 0.00 -0.27 0.00 3.38 -1.65 -2.33 115.31 114.43 3h3x h LEU 134 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h3x h LEU 134 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h3x h LEU 134 CO 0.00 0.09 -0.10 0.29 0.09 0.00 0.00 178.44 178.81 3h3x n LYS 135 N -3.32 0.78 -3.07 1.13 5.02 -0.48 -4.95 118.16 113.26 3h3x n LYS 135 Ca -0.01 -0.27 -0.38 0.00 -2.02 0.00 0.00 58.31 55.63 3h3x n LYS 135 Cb 0.28 -1.49 -0.06 0.00 -0.02 0.00 0.00 35.03 33.73 3h3x n LYS 135 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h3x s ALA 136 N -2.41 3.46 -0.37 7.82 0.00 -0.88 -4.94 121.76 124.45 3h3x s ALA 136 Ca 0.31 0.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.22 3h3x s ALA 136 Cb 0.20 -2.85 0.01 0.00 0.00 0.00 0.00 23.12 20.48 3h3x s ALA 136 CO 0.46 0.32 1.25 0.34 0.00 0.00 0.00 175.76 178.14 3h3x s ASP 137 N -1.30 6.63 0.35 0.00 2.15 -1.26 -4.92 116.67 118.32 3h3x s ASP 137 Ca 0.37 0.93 0.04 0.00 0.43 0.00 0.00 52.55 54.32 3h3x s ASP 137 Cb -0.20 -2.54 0.65 0.00 -0.30 0.00 0.00 42.92 40.52 3h3x s ASP 137 CO 0.23 -1.17 1.93 -0.65 -0.17 0.00 0.00 175.17 175.35 3h3x h PRO 138 N 9.40 0.60 -0.13 4.34 0.11 -1.94 -0.32 132.00 144.05 3h3x h PRO 138 Ca -0.25 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 3h3x h PRO 138 Cb 1.08 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 3h3x h PRO 138 CO 1.07 0.53 0.07 -0.91 -0.21 0.00 0.00 178.00 178.55 3h3x h ASN 139 N 0.59 0.17 -0.92 -2.05 2.35 -1.91 0.37 115.58 114.17 3h3x h ASN 139 Ca 0.14 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3h3x h ASN 139 Cb 0.18 -0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 3h3x h ASN 139 CO -0.01 0.19 0.59 0.11 -1.65 0.00 0.00 177.43 176.66 3h3x h LYS 140 N 0.13 1.24 -0.10 0.81 1.57 -1.91 -1.66 116.57 116.65 3h3x h LYS 140 Ca 0.05 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3h3x h LYS 140 Cb 0.06 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 3h3x h LYS 140 CO -0.01 0.84 -0.01 0.00 -0.57 0.00 0.00 179.45 179.71 3h3x h ALA 141 N 1.38 0.08 -0.56 3.86 0.00 -0.70 0.91 119.26 124.23 3h3x h ALA 141 Ca 0.34 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 3h3x h ALA 141 Cb -0.10 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3h3x h ALA 141 CO -0.07 -0.47 0.34 0.00 0.00 0.00 0.00 179.25 179.05 3h3x h ALA 142 N 1.09 0.72 0.04 0.00 0.00 0.04 0.53 119.26 121.67 3h3x h ALA 142 Ca 0.05 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h3x h ALA 142 Cb 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3h3x h ALA 142 CO -0.08 0.20 -0.05 0.87 0.00 0.00 0.00 179.25 180.18 3h3x h LYS 143 N 0.76 -0.09 -1.04 0.00 1.57 -1.28 -1.55 116.57 114.94 3h3x h LYS 143 Ca 0.20 0.01 0.27 0.00 -1.87 0.00 0.00 60.65 59.26 3h3x h LYS 143 Cb -0.01 0.02 -0.11 0.00 0.08 0.00 0.00 32.23 32.21 3h3x h LYS 143 CO -0.04 -0.06 0.64 1.25 -0.57 0.00 0.00 179.45 180.67 3h3x h LEU 144 N -0.10 0.53 -0.13 2.94 5.85 -0.55 0.62 115.31 124.47 3h3x h LEU 144 Ca -0.00 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.86 3h3x h LEU 144 Cb 0.09 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3h3x h LEU 144 CO -0.01 0.06 -0.06 0.00 -0.34 0.00 0.00 178.44 178.09 3h3x h ALA 145 N 1.68 0.06 0.00 1.25 0.00 0.24 -2.99 119.26 119.50 3h3x h ALA 145 Ca 0.64 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.60 3h3x h ALA 145 Cb 1.47 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.40 3h3x h ALA 145 CO -0.40 -0.51 0.00 0.00 0.00 0.00 0.00 179.25 178.34 3h3x h ALA 146 N 1.08 1.00 -0.02 0.00 0.00 0.13 -2.55 119.26 118.90 3h3x h ALA 146 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h3x h ALA 146 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3h3x h ALA 146 CO -0.16 0.00 -0.26 -1.13 0.00 0.00 0.00 179.25 177.70 3h3x n SER 147 N -2.60 2.47 0.00 0.00 3.41 -1.02 -4.43 113.62 111.45 3h3x n SER 147 Ca 0.00 -1.73 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 3h3x n SER 147 Cb 0.19 0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 3h3x n SER 147 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3h3x n ILE 148 N 0.60 0.06 -3.59 -1.33 -5.35 -0.98 -5.08 119.36 103.69 3h3x n ILE 148 Ca 0.11 -0.25 -0.15 0.00 -0.27 0.00 0.00 62.75 62.19 3h3x n ILE 148 Cb 0.53 1.45 -0.06 0.00 -1.74 0.00 0.00 39.64 39.82 3h3x n ILE 148 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3h3x s ALA 149 N -0.06 -1.37 0.44 -1.28 0.00 -1.08 -4.76 121.76 113.66 3h3x s ALA 149 Ca 0.00 0.78 -0.22 0.00 0.00 0.00 0.00 51.96 52.52 3h3x s ALA 149 Cb 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 23.12 23.20 3h3x s ALA 149 CO 0.00 -0.41 0.63 -2.30 0.00 0.00 0.00 175.76 173.68 3h3x n PRO 150 N 0.75 0.70 -1.90 0.00 -0.02 -1.26 -4.62 135.00 128.64 3h3x n PRO 150 Ca -0.19 0.26 -0.41 0.00 -2.02 0.00 0.00 63.50 61.13 3h3x n PRO 150 Cb 0.58 -1.63 -0.01 0.00 -0.02 0.00 0.00 33.50 32.42 3h3x n PRO 150 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h3x s ALA 151 N -1.46 3.59 -0.10 3.55 0.00 -1.26 -4.92 121.76 121.16 3h3x s ALA 151 Ca 0.64 1.47 -0.23 0.00 0.00 0.00 0.00 51.96 53.85 3h3x s ALA 151 Cb -0.58 -3.58 0.05 0.00 0.00 0.00 0.00 23.12 19.02 3h3x s ALA 151 CO 0.57 -0.91 0.55 -0.98 0.00 0.00 0.00 175.76 174.99 3h3x s ARG 152 N -1.54 0.82 0.53 0.00 1.70 -1.26 -5.05 118.95 114.14 3h3x s ARG 152 Ca 0.54 0.35 0.26 0.00 -0.47 0.00 0.00 55.73 56.42 3h3x s ARG 152 Cb -0.45 0.39 1.47 0.00 -0.57 0.00 0.00 34.95 35.79 3h3x s ARG 152 CO 0.56 -0.20 2.10 -1.00 -1.08 0.00 0.00 175.30 175.68 3h3x h PRO 153 N 4.05 0.00 0.00 3.89 0.13 -1.99 -1.46 132.00 136.61 3h3x h PRO 153 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3h3x h PRO 153 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3h3x h PRO 153 CO 0.30 0.10 0.00 0.41 -0.23 0.00 0.00 178.00 178.58 3h3x n GLY 154 N -0.86 -1.02 0.80 1.56 0.00 -1.26 -2.46 105.19 101.95 3h3x n GLY 154 Ca -0.02 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.06 3h3x n GLY 154 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3h3x n ASN 155 N -1.65 2.84 -4.77 1.61 3.02 -0.55 -4.48 115.26 111.29 3h3x n ASN 155 Ca 0.03 -1.83 -0.33 0.00 -0.03 0.00 0.00 54.58 52.42 3h3x n ASN 155 Cb 0.17 -0.16 0.05 0.00 -0.61 0.00 0.00 39.78 39.23 3h3x n ASN 155 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3h3x s SER 156 N -1.22 5.07 0.35 6.41 1.04 -1.03 -4.42 113.70 119.90 3h3x s SER 156 Ca 0.26 2.01 0.06 0.00 0.48 0.00 0.00 55.95 58.76 3h3x s SER 156 Cb 0.16 -2.55 0.73 0.00 0.10 0.00 0.00 66.02 64.45 3h3x s SER 156 CO 0.22 -1.65 1.91 0.00 0.98 0.00 0.00 173.24 174.70 3h3x h ALA 157 N 0.00 1.71 -0.34 5.32 0.00 -1.91 0.11 119.26 124.16 3h3x h ALA 157 Ca -0.47 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3h3x h ALA 157 Cb 1.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3h3x h ALA 157 CO 0.54 0.11 0.07 -0.22 0.00 0.00 0.00 179.25 179.75 3h3x h LYS 158 N 0.79 0.55 -0.15 0.00 3.64 -1.93 0.12 116.57 119.59 3h3x h LYS 158 Ca 0.39 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3h3x h LYS 158 Cb 0.44 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3h3x h LYS 158 CO -0.16 0.62 0.07 0.00 -2.27 0.00 0.00 179.45 177.71 3h3x h ALA 159 N 0.91 0.20 -0.05 5.00 0.00 -1.58 -2.30 119.26 121.44 3h3x h ALA 159 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3h3x h ALA 159 Cb 0.33 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3h3x h ALA 159 CO 0.00 -0.22 -0.26 -0.07 0.00 0.00 0.00 179.25 178.69 3h3x h LEU 160 N 0.11 0.09 -0.24 0.00 3.38 -0.63 -2.19 115.31 115.83 3h3x h LEU 160 Ca 0.05 -0.02 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 3h3x h LEU 160 Cb 0.15 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3h3x h LEU 160 CO -0.01 0.36 -0.88 0.50 0.09 0.00 0.00 178.44 178.51 3h3x h LYS 161 N 0.09 0.41 -0.80 1.13 3.64 -0.67 -2.20 116.57 118.17 3h3x h LYS 161 Ca 0.01 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3h3x h LYS 161 Cb 0.52 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 3h3x h LYS 161 CO 0.04 1.07 0.42 0.00 -2.27 0.00 0.00 179.45 178.71 3h3x h ALA 162 N 0.79 1.02 -0.26 5.00 0.00 -1.06 0.14 119.26 124.89 3h3x h ALA 162 Ca -0.06 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h3x h ALA 162 Cb 1.50 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3h3x h ALA 162 CO 0.15 0.55 0.14 0.28 0.00 0.00 0.00 179.25 180.38 3h3x h VAL 163 N 1.11 1.12 -0.18 0.00 2.07 -1.35 -1.21 116.25 117.81 3h3x h VAL 163 Ca 0.28 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3h3x h VAL 163 Cb 0.06 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3h3x h VAL 163 CO -0.04 0.12 0.09 -0.61 0.02 0.00 0.00 177.57 177.14 3h3x h GLN 164 N 0.31 0.26 -0.37 1.57 4.15 -1.12 -0.68 115.11 119.23 3h3x h GLN 164 Ca 0.09 -0.04 0.05 0.00 0.77 0.00 0.00 58.65 59.53 3h3x h GLN 164 Cb 0.06 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.66 3h3x h GLN 164 CO -0.01 0.29 0.09 -0.44 -1.93 0.00 0.00 178.83 176.83 3h3x h ASP 165 N 0.17 0.04 -0.82 -0.69 3.32 -0.68 0.25 116.42 118.01 3h3x h ASP 165 Ca 0.06 0.06 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 3h3x h ASP 165 Cb 0.12 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.70 3h3x h ASP 165 CO -0.01 0.06 0.38 0.50 -1.72 0.00 0.00 179.24 178.45 3h3x h LYS 166 N 0.22 1.19 -0.41 3.56 3.64 -0.79 -0.75 116.57 123.23 3h3x h LYS 166 Ca 0.18 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.27 3h3x h LYS 166 Cb 0.19 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3h3x h LYS 166 CO -0.22 0.93 -0.17 1.25 -2.27 0.00 0.00 179.45 178.97 3h3x h LEU 167 N 1.18 0.78 -0.34 5.20 5.85 -0.82 -2.33 115.31 124.84 3h3x h LEU 167 Ca 0.28 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3h3x h LEU 167 Cb 0.14 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.94 3h3x h LEU 167 CO -0.03 0.95 0.09 0.50 -0.34 0.00 0.00 178.44 179.61 3h3x h LYS 168 N 0.69 0.53 -0.71 1.25 3.64 0.32 -0.82 116.57 121.47 3h3x h LYS 168 Ca 0.11 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3h3x h LYS 168 Cb 0.66 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 3h3x h LYS 168 CO 0.05 0.57 0.45 0.00 -2.27 0.00 0.00 179.45 178.25 3h3x h ALA 169 N 0.93 0.93 -0.44 5.00 0.00 -1.12 -0.42 119.26 124.15 3h3x h ALA 169 Ca 0.11 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3h3x h ALA 169 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3h3x h ALA 169 CO -0.00 0.22 0.11 0.35 0.00 0.00 0.00 179.25 179.93 3h3x h PHE 170 N 0.87 0.73 -0.26 0.00 3.04 -1.21 -2.01 116.94 118.10 3h3x h PHE 170 Ca 0.29 -0.09 -0.18 0.00 3.98 0.00 0.00 57.97 61.97 3h3x h PHE 170 Cb 0.02 -0.21 0.00 0.00 2.56 0.00 0.00 35.95 38.33 3h3x h PHE 170 CO -0.04 0.68 -0.55 0.28 -2.02 0.00 0.00 178.31 176.66 3h3x h VAL 171 N 0.57 1.28 0.00 1.41 2.07 -0.94 -2.94 116.25 117.71 3h3x h VAL 171 Ca 0.14 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.92 3h3x h VAL 171 Cb 0.32 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3h3x h VAL 171 CO 0.00 0.56 0.00 -0.62 0.02 0.00 0.00 177.57 177.53 3h3x n GLU 172 N -4.04 0.13 0.21 1.57 1.02 -0.18 -2.76 120.64 116.59 3h3x n GLU 172 Ca -0.05 0.27 0.07 0.00 -0.02 0.00 0.00 57.16 57.43 3h3x n GLU 172 Cb 0.63 -1.70 0.59 0.00 -0.02 0.00 0.00 31.44 30.94 3h3x n GLU 172 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3h3x h SER 173 N 0.00 0.08 0.00 1.62 4.64 -1.17 -3.46 113.55 115.26 3h3x h SER 173 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h3x h SER 173 Cb 0.44 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3h3x h SER 173 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3h3x n GLY 174 N -1.47 0.98 3.15 -0.77 0.00 -1.11 -5.01 105.19 100.96 3h3x n GLY 174 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3h3x n GLY 174 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h3x s GLN 175 N -0.65 2.80 0.00 1.61 -0.21 -1.26 -4.93 119.66 117.02 3h3x s GLN 175 Ca 0.00 -2.50 0.27 0.00 0.02 0.00 0.00 55.36 53.15 3h3x s GLN 175 Cb 0.00 -3.90 1.39 0.00 1.00 0.00 0.00 33.01 31.51 3h3x s GLN 175 CO 0.00 -1.20 1.93 1.28 -2.12 0.00 0.00 175.29 175.18 3h3x n LEU 176 N 3.63 0.00 0.00 2.90 4.77 -1.26 -4.87 117.00 122.17 3h3x n LEU 176 Ca 0.09 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3h3x n LEU 176 Cb 0.40 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 3h3x n LEU 176 CO 0.34 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3h3x n GLY 177 N 0.97 2.86 0.06 -0.72 0.00 -1.26 -0.42 105.19 106.67 3h3x n GLY 177 Ca 0.14 0.30 0.08 0.00 0.00 0.00 0.00 46.02 46.54 3h3x n GLY 177 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3h3x n ILE 178 N 0.00 1.11 0.94 -0.61 -5.35 -1.26 -2.25 119.36 111.94 3h3x n ILE 178 Ca 0.00 0.34 0.12 0.00 -0.27 0.00 0.00 62.75 62.94 3h3x n ILE 178 Cb 0.00 -1.21 0.14 0.00 -1.74 0.00 0.00 39.64 36.83 3h3x n ILE 178 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3h3x n PHE 179 N -1.81 0.07 -1.66 4.28 3.72 0.44 -4.88 117.46 117.61 3h3x n PHE 179 Ca 0.02 -0.03 -0.53 0.00 -0.05 0.00 0.00 57.45 56.86 3h3x n PHE 179 Cb 0.15 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.63 3h3x n PHE 179 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3h3x n THR 180 N 1.29 0.22 -1.21 4.37 -1.04 -0.95 -2.12 114.28 114.84 3h3x n THR 180 Ca 0.15 -0.04 -0.07 0.00 -2.04 0.00 0.00 64.05 62.05 3h3x n THR 180 Cb 0.58 -1.24 -0.03 0.00 -1.82 0.00 0.00 70.33 67.82 3h3x n THR 180 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3h3x n ASN 181 N 4.46 -4.65 -4.61 8.00 3.02 -1.26 -4.94 115.26 115.27 3h3x n ASN 181 Ca 0.22 0.18 -0.49 0.00 -0.03 0.00 0.00 54.58 54.46 3h3x n ASN 181 Cb 0.19 -2.78 -0.05 0.00 -0.61 0.00 0.00 39.78 36.54 3h3x n ASN 181 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h3x n ALA 182 N 1.13 -0.16 0.29 5.41 0.00 -0.90 -4.85 120.51 121.42 3h3x n ALA 182 Ca -0.07 0.48 0.16 0.00 0.00 0.00 0.00 53.44 54.01 3h3x n ALA 182 Cb 0.37 -2.15 0.80 0.00 0.00 0.00 0.00 19.45 18.46 3h3x n ALA 182 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3h3x h TYR 183 N 4.56 0.00 -0.00 0.00 0.05 -1.92 -1.70 116.97 117.97 3h3x h TYR 183 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.32 3h3x h TYR 183 Cb 1.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.05 3h3x h TYR 183 CO 0.59 0.00 -0.34 1.97 -1.05 0.00 0.00 178.16 179.33 3h3x n PHE 184 N -3.06 0.00 -2.10 4.88 1.16 -1.26 -4.65 117.46 112.43 3h3x n PHE 184 Ca -0.00 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.16 3h3x n PHE 184 Cb 0.43 -0.30 -0.03 0.00 -1.61 0.00 0.00 39.48 37.98 3h3x n PHE 184 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3h3x s LEU 185 N -2.94 4.39 -0.80 5.98 1.43 -0.64 -1.76 118.68 124.34 3h3x s LEU 185 Ca 0.14 2.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.74 3h3x s LEU 185 Cb 0.18 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.79 3h3x s LEU 185 CO 0.63 -0.65 0.00 0.61 0.23 0.00 0.00 176.35 177.17 3h3x n GLY 186 N 2.71 0.92 0.00 -3.19 0.00 -1.26 -4.83 105.19 99.54 3h3x n GLY 186 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3h3x n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 187 N -1.45 -2.66 3.48 -0.02 0.00 -0.72 -5.08 105.19 98.74 3h3x n GLY 187 Ca -0.08 -1.34 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 3h3x n GLY 187 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3h3x s HIS 188 N -3.77 -0.85 0.48 1.61 5.04 -1.26 -4.89 115.29 111.64 3h3x s HIS 188 Ca 0.00 1.76 0.31 0.00 -1.54 0.00 0.00 55.06 55.59 3h3x s HIS 188 Cb 0.00 0.46 1.70 0.00 0.04 0.00 0.00 32.58 34.78 3h3x s HIS 188 CO 0.00 -0.44 2.16 0.87 -2.34 0.00 0.00 174.74 174.99 3h3x h LYS 189 N 6.89 0.00 0.00 2.88 1.57 -1.96 -2.67 116.57 123.29 3h3x h LYS 189 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3h3x h LYS 189 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3h3x h LYS 189 CO 0.21 0.06 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 3h3x n ALA 190 N -2.25 2.24 -2.52 3.86 0.00 -1.26 -4.73 120.51 115.85 3h3x n ALA 190 Ca -0.02 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.89 3h3x n ALA 190 Cb 0.17 -1.41 -0.09 0.00 0.00 0.00 0.00 19.45 18.12 3h3x n ALA 190 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3h3x s TYR 191 N -2.70 3.20 -0.12 0.00 1.51 -1.01 -4.97 117.35 113.27 3h3x s TYR 191 Ca 0.21 -0.18 0.19 0.00 -1.01 0.00 0.00 57.07 56.28 3h3x s TYR 191 Cb 0.17 -2.73 -0.25 0.00 -0.11 0.00 0.00 41.96 39.04 3h3x s TYR 191 CO 0.41 -0.52 0.42 0.66 -1.11 0.00 0.00 175.55 175.41 3h3x n TYR 192 N 5.43 0.25 -1.76 2.71 4.01 -1.26 -4.94 117.16 121.60 3h3x n TYR 192 Ca -0.09 0.08 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 3h3x n TYR 192 Cb 0.49 -0.83 -0.01 0.00 -0.31 0.00 0.00 39.34 38.68 3h3x n TYR 192 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3h3x n LEU 193 N -2.59 4.51 -4.69 7.72 4.77 -1.26 -4.98 117.00 120.48 3h3x n LEU 193 Ca -0.16 1.20 -0.39 0.00 -0.03 0.00 0.00 56.01 56.63 3h3x n LEU 193 Cb 0.85 -1.60 0.04 0.00 -2.33 0.00 0.00 43.42 40.38 3h3x n LEU 193 CO 0.44 0.10 0.82 -2.65 -1.33 0.00 0.00 177.39 174.77 3h3x n PRO 194 N 1.11 1.50 -0.31 3.23 -0.02 -1.26 -4.85 135.00 134.40 3h3x n PRO 194 Ca 0.04 0.55 0.18 0.00 -2.02 0.00 0.00 63.50 62.26 3h3x n PRO 194 Cb 0.38 -2.39 0.44 0.00 -0.02 0.00 0.00 33.50 31.90 3h3x n PRO 194 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h3x h PRO 195 N 1.32 0.52 -0.40 0.52 0.11 -1.94 -1.36 132.00 130.76 3h3x h PRO 195 Ca -0.49 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.65 3h3x h PRO 195 Cb 1.32 -0.12 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3h3x h PRO 195 CO 0.56 0.34 0.08 0.93 -0.21 0.00 0.00 178.00 179.70 3h3x h GLU 196 N 0.54 0.20 -0.10 1.05 3.07 -1.90 0.25 114.58 117.69 3h3x h GLU 196 Ca 0.56 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 59.30 3h3x h GLU 196 Cb 1.19 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 29.05 3h3x h GLU 196 CO -0.30 0.13 -0.41 0.28 -1.40 0.00 0.00 179.01 177.31 3h3x h VAL 197 N 0.21 1.31 -0.79 3.13 2.07 -1.65 -1.74 116.25 118.79 3h3x h VAL 197 Ca 0.19 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.19 3h3x h VAL 197 Cb 0.24 1.69 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3h3x h VAL 197 CO -0.26 0.45 0.46 0.44 0.02 0.00 0.00 177.57 178.69 3h3x h ASP 198 N 0.19 0.96 -0.06 0.57 3.32 -0.54 -1.31 116.42 119.55 3h3x h ASP 198 Ca 0.02 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3h3x h ASP 198 Cb 0.81 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.12 3h3x h ASP 198 CO 0.06 0.75 -0.01 0.25 -1.72 0.00 0.00 179.24 178.58 3h3x h LEU 199 N 1.08 0.12 -0.19 1.55 5.85 -0.65 -1.28 115.31 121.80 3h3x h LEU 199 Ca 0.28 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.71 3h3x h LEU 199 Cb -0.02 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 3h3x h LEU 199 CO -0.05 0.44 -0.25 0.40 -0.34 0.00 0.00 178.44 178.64 3h3x h ILE 200 N -0.20 0.39 -0.65 4.05 2.04 -1.28 -1.34 117.51 120.52 3h3x h ILE 200 Ca 0.02 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.90 3h3x h ILE 200 Cb 0.38 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 3h3x h ILE 200 CO 0.01 0.00 0.41 0.00 0.00 0.00 0.00 178.15 178.57 3h3x h ALA 201 N 0.69 0.84 -0.27 1.87 0.00 -1.18 -1.89 119.26 119.32 3h3x h ALA 201 Ca 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3h3x h ALA 201 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3h3x h ALA 201 CO -0.35 0.19 0.13 1.15 0.00 0.00 0.00 179.25 180.36 3h3x h THR 202 N 0.82 1.15 -0.71 0.00 2.02 -1.14 0.58 112.91 115.63 3h3x h THR 202 Ca 0.25 -0.44 0.14 0.00 0.77 0.00 0.00 66.41 67.13 3h3x h THR 202 Cb -0.02 0.95 -0.10 0.00 -1.74 0.00 0.00 68.15 67.24 3h3x h THR 202 CO -0.09 0.15 0.24 0.00 0.37 0.00 0.00 175.52 176.19 3h3x h ALA 203 N 0.98 0.95 -0.04 6.16 0.00 -1.04 -1.07 119.26 125.20 3h3x h ALA 203 Ca 0.09 0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3h3x h ALA 203 Cb 0.13 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3h3x h ALA 203 CO -0.01 -0.26 -0.48 0.45 0.00 0.00 0.00 179.25 178.95 3h3x h HIS 204 N 0.37 0.13 -0.69 0.00 3.86 -1.06 -1.84 115.15 115.92 3h3x h HIS 204 Ca 0.39 -0.04 0.02 0.00 -1.16 0.00 0.00 60.37 59.59 3h3x h HIS 204 Cb 0.60 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 3h3x h HIS 204 CO -0.20 0.57 0.44 -0.92 0.86 0.00 0.00 177.93 178.67 3h3x h TYR 205 N 0.09 0.82 -0.18 2.45 5.03 0.17 0.14 116.97 125.49 3h3x h TYR 205 Ca 0.00 0.02 -0.21 0.00 2.58 0.00 0.00 58.73 61.12 3h3x h TYR 205 Cb 0.88 -0.27 0.01 0.00 1.55 0.00 0.00 36.73 38.90 3h3x h TYR 205 CO 0.01 0.48 -0.71 -0.07 -1.32 0.00 0.00 178.16 176.54 3h3x h LEU 206 N 0.86 0.91 -0.21 2.82 3.38 -0.86 -2.74 115.31 119.48 3h3x h LEU 206 Ca 0.27 -0.56 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 3h3x h LEU 206 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3h3x h LEU 206 CO -0.10 1.36 0.12 -0.33 0.09 0.00 0.00 178.44 179.58 3h3x h GLU 207 N 0.55 0.28 -1.01 1.13 5.08 -1.19 -2.90 114.58 116.52 3h3x h GLU 207 Ca -0.03 -0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.53 3h3x h GLU 207 Cb 1.33 -0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.41 3h3x h GLU 207 CO 0.15 0.25 0.61 0.00 -1.00 0.00 0.00 179.01 179.01 3h3x h ALA 208 N 1.02 1.79 -0.96 3.43 0.00 -0.64 0.21 119.26 124.12 3h3x h ALA 208 Ca 0.07 0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.20 3h3x h ALA 208 Cb 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.74 3h3x h ALA 208 CO -0.01 -0.23 0.61 -0.07 0.00 0.00 0.00 179.25 179.55 3h3x h LEU 209 N 0.63 0.85 0.11 0.00 3.38 -1.27 -0.25 115.31 118.76 3h3x h LEU 209 Ca 0.62 0.04 -0.30 0.00 0.09 0.00 0.00 57.88 58.33 3h3x h LEU 209 Cb 1.14 -0.13 0.02 0.00 0.09 0.00 0.00 40.66 41.78 3h3x h LEU 209 CO -0.43 0.47 -1.26 0.45 0.09 0.00 0.00 178.44 177.76 3h3x h HIS 210 N 0.92 0.88 -0.06 1.13 3.86 -0.70 -3.33 115.15 117.85 3h3x h HIS 210 Ca 0.47 -0.58 -0.09 0.00 -1.16 0.00 0.00 60.37 59.01 3h3x h HIS 210 Cb 0.50 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 3h3x h HIS 210 CO -0.00 1.43 -0.37 1.98 0.86 0.00 0.00 177.93 181.83 3h3x h MET 211 N 0.22 0.12 -0.25 2.45 -1.53 -0.65 -2.65 114.93 112.63 3h3x h MET 211 Ca -0.18 -0.05 -0.07 0.00 -3.44 0.00 0.00 59.70 55.96 3h3x h MET 211 Cb 1.94 -0.01 -0.01 0.00 -0.55 0.00 0.00 31.60 32.97 3h3x h MET 211 CO 0.23 0.48 -0.15 -0.56 0.14 0.00 0.00 176.91 177.05 3h3x h GLN 212 N 0.11 0.43 -0.56 0.39 -0.00 -1.16 -1.66 115.11 112.65 3h3x h GLN 212 Ca 0.01 -0.12 0.08 0.00 -0.00 0.00 0.00 58.65 58.62 3h3x h GLN 212 Cb 0.70 -0.04 -0.07 0.00 -0.00 0.00 0.00 27.48 28.07 3h3x h GLN 212 CO 0.05 0.57 0.20 0.28 -0.00 0.00 0.00 178.83 179.93 3h3x h VAL 213 N 0.39 0.78 -0.40 1.86 2.07 -1.59 -1.19 116.25 118.19 3h3x h VAL 213 Ca 0.07 -0.13 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 3h3x h VAL 213 Cb 0.50 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3h3x h VAL 213 CO 0.03 0.07 0.11 0.11 0.02 0.00 0.00 177.57 177.91 3h3x h LYS 214 N 0.37 0.62 -0.49 1.57 1.57 -1.40 -1.09 116.57 117.73 3h3x h LYS 214 Ca 0.28 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3h3x h LYS 214 Cb 0.34 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3h3x h LYS 214 CO -0.29 0.64 0.20 0.00 -0.57 0.00 0.00 179.45 179.43 3h3x h ALA 215 N 0.96 1.44 -0.29 3.86 0.00 -0.91 -0.50 119.26 123.82 3h3x h ALA 215 Ca 0.13 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.73 3h3x h ALA 215 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3h3x h ALA 215 CO -0.00 0.43 -0.51 0.00 0.00 0.00 0.00 179.25 179.16 3h3x h ALA 216 N 1.54 0.54 -0.70 0.00 0.00 -1.09 -2.61 119.26 116.94 3h3x h ALA 216 Ca 0.17 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.61 3h3x h ALA 216 Cb 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 3h3x h ALA 216 CO -0.02 0.68 0.43 0.77 0.00 0.00 0.00 179.25 181.12 3h3x h SER 217 N 0.65 0.71 0.00 0.00 0.02 -0.38 0.61 113.55 115.16 3h3x h SER 217 Ca 0.02 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.00 3h3x h SER 217 Cb 1.11 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.47 3h3x h SER 217 CO 0.11 0.49 -0.16 0.00 -1.14 0.00 0.00 176.83 176.13 3h3x h ALA 218 N 1.31 -0.19 -0.86 3.77 0.00 -1.07 -2.41 119.26 119.80 3h3x h ALA 218 Ca 0.28 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3h3x h ALA 218 Cb 0.04 0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3h3x h ALA 218 CO -0.12 -0.65 0.55 1.98 0.00 0.00 0.00 179.25 181.01 3h3x h MET 219 N -0.26 1.03 0.00 0.00 -1.53 -1.15 -2.44 114.93 110.58 3h3x h MET 219 Ca 0.05 -0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.23 3h3x h MET 219 Cb 0.33 -0.23 -0.00 0.00 -0.55 0.00 0.00 31.60 31.14 3h3x h MET 219 CO -0.15 0.68 -0.10 0.00 0.14 0.00 0.00 176.91 177.48 3h3x h ALA 220 N 1.37 1.14 -0.45 0.39 0.00 -0.45 0.16 119.26 121.42 3h3x h ALA 220 Ca 0.35 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.19 3h3x h ALA 220 Cb 0.04 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3h3x h ALA 220 CO -0.13 0.13 0.26 0.82 0.00 0.00 0.00 179.25 180.33 3h3x h ILE 221 N 0.00 1.04 0.00 0.00 2.04 -0.96 0.02 117.51 119.64 3h3x h ILE 221 Ca -0.00 -0.18 -0.24 0.00 1.00 0.00 0.00 64.86 65.44 3h3x h ILE 221 Cb 0.41 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 3h3x h ILE 221 CO 0.01 0.10 -1.57 0.18 0.00 0.00 0.00 178.15 176.87 3h3x n LEU 222 N -4.84 0.88 -0.59 1.44 4.77 -1.02 -4.41 117.00 113.22 3h3x n LEU 222 Ca 0.02 0.40 0.12 0.00 -0.03 0.00 0.00 56.01 56.52 3h3x n LEU 222 Cb 0.07 0.13 0.10 0.00 -2.33 0.00 0.00 43.42 41.39 3h3x n LEU 222 CO 0.32 0.28 0.47 0.61 -1.33 0.00 0.00 177.39 177.74 3h3x n GLY 223 N 1.48 0.22 2.67 -0.72 0.00 0.54 -4.84 105.19 104.54 3h3x n GLY 223 Ca -0.14 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3h3x n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 224 N 1.38 2.44 0.00 -0.02 0.00 -0.01 -1.08 105.19 107.89 3h3x n GLY 224 Ca 0.11 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3h3x n GLY 224 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3h3x n LYS 225 N 0.00 0.00 -3.73 1.61 2.85 -1.25 -4.92 118.16 112.73 3h3x n LYS 225 Ca 0.00 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.14 3h3x n LYS 225 Cb 0.00 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.26 3h3x n LYS 225 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 3h3x s ASN 226 N 0.00 -0.36 1.02 -5.58 3.84 -1.26 -3.60 114.94 109.00 3h3x s ASN 226 Ca 0.00 0.67 -0.13 0.00 0.21 0.00 0.00 52.86 53.61 3h3x s ASN 226 Cb 0.00 0.58 0.20 0.00 -0.55 0.00 0.00 41.25 41.48 3h3x s ASN 226 CO 0.00 -0.16 1.09 -2.84 -2.79 0.00 0.00 177.10 172.40 3h3x s PRO 227 N 1.06 0.28 -0.36 0.43 0.02 -1.26 -5.03 135.00 130.13 3h3x s PRO 227 Ca -0.07 0.49 -0.08 0.00 0.02 0.00 0.00 61.00 61.36 3h3x s PRO 227 Cb -0.08 -1.72 0.01 0.00 0.02 0.00 0.00 34.50 32.73 3h3x s PRO 227 CO -0.08 -2.83 0.30 0.72 -0.33 0.00 0.00 177.00 174.78 3h3x n HIS 228 N -4.24 -3.70 -1.03 6.54 8.25 -1.26 -4.99 115.22 114.79 3h3x n HIS 228 Ca 0.05 1.57 -0.32 0.00 -0.26 0.00 0.00 57.72 58.76 3h3x n HIS 228 Cb 0.57 -3.99 0.13 0.00 1.12 0.00 0.00 29.99 27.82 3h3x n HIS 228 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3h3x s THR 229 N -2.09 2.56 -0.42 1.59 -4.23 -1.24 -4.74 115.64 107.07 3h3x s THR 229 Ca 0.13 0.20 0.07 0.00 -1.18 0.00 0.00 61.69 60.90 3h3x s THR 229 Cb -0.03 -2.47 0.23 0.00 1.34 0.00 0.00 72.50 71.57 3h3x s THR 229 CO 0.77 -0.22 0.58 1.67 -0.54 0.00 0.00 174.62 176.88 3h3x n GLN 230 N -3.71 0.65 0.00 3.99 7.27 -0.24 -4.92 117.38 120.41 3h3x n GLN 230 Ca 0.11 -2.85 0.00 0.00 0.07 0.00 0.00 57.00 54.33 3h3x n GLN 230 Cb 0.52 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.83 3h3x n GLN 230 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 3h3x n PHE 231 N 1.72 0.00 -3.83 3.69 -1.74 -1.26 -4.71 117.46 111.34 3h3x n PHE 231 Ca 0.20 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.72 3h3x n PHE 231 Cb 0.55 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.49 3h3x n PHE 231 CO 0.00 0.00 0.00 0.95 -0.56 0.00 0.00 176.76 177.15 3h3x s THR 232 N 0.00 5.42 0.09 1.97 -4.23 -1.26 -0.40 115.64 117.23 3h3x s THR 232 Ca 0.00 0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 3h3x s THR 232 Cb 0.00 -3.47 -0.04 0.00 1.34 0.00 0.00 72.50 70.33 3h3x s THR 232 CO 0.00 0.54 0.00 0.68 -0.54 0.00 0.00 174.62 175.31 3h3x s VAL 233 N -1.11 0.21 0.29 2.29 -7.23 -0.69 -4.86 120.40 109.31 3h3x s VAL 233 Ca 0.19 -1.86 -0.30 0.00 -1.81 0.00 0.00 61.98 58.20 3h3x s VAL 233 Cb -0.13 -1.75 -0.11 0.00 0.56 0.00 0.00 36.38 34.95 3h3x s VAL 233 CO 0.08 -0.77 1.59 -0.69 -0.31 0.00 0.00 175.10 175.00 3h3x s VAL 234 N -3.95 2.09 0.00 1.32 1.01 -1.26 -1.55 120.40 118.07 3h3x s VAL 234 Ca 0.14 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.20 3h3x s VAL 234 Cb 0.08 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.41 3h3x s VAL 234 CO -0.05 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.67 3h3x n GLY 235 N 2.16 1.25 0.00 4.51 0.00 -1.26 -4.80 105.19 107.04 3h3x n GLY 235 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3h3x n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 236 N -2.00 -0.15 3.32 -0.02 0.00 -0.59 -0.63 105.19 105.12 3h3x n GLY 236 Ca 0.00 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 3h3x n GLY 236 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x n SER 238 N -0.39 0.83 -4.08 0.00 3.41 0.46 -4.28 113.62 109.58 3h3x n SER 238 Ca -0.06 -0.76 -0.43 0.00 -0.26 0.00 0.00 58.87 57.35 3h3x n SER 238 Cb 0.63 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.71 3h3x n SER 238 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3h3x n ASN 239 N -1.53 4.96 0.23 4.04 2.85 -1.26 -4.81 115.26 119.75 3h3x n ASN 239 Ca 0.02 -3.02 0.06 0.00 -0.11 0.00 0.00 54.58 51.53 3h3x n ASN 239 Cb 0.30 -1.55 0.53 0.00 1.24 0.00 0.00 39.78 40.30 3h3x n ASN 239 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 3h3x h TYR 240 N 6.34 0.00 -0.46 1.20 0.05 -1.97 -1.58 116.97 120.55 3h3x h TYR 240 Ca 0.40 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.15 3h3x h TYR 240 Cb 0.72 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.44 3h3x h TYR 240 CO 1.25 0.15 0.17 0.37 -1.05 0.00 0.00 178.16 179.04 3h3x h GLN 241 N 0.00 0.67 0.00 4.88 4.15 -1.98 -2.75 115.11 120.08 3h3x h GLN 241 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 58.65 59.32 3h3x h GLN 241 Cb 0.26 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.83 3h3x h GLN 241 CO 0.02 0.57 0.00 0.78 -1.93 0.00 0.00 178.83 178.27 3h3x h GLY 242 N 0.83 0.00 -1.32 2.39 0.00 -1.57 -1.19 103.07 102.22 3h3x h GLY 242 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 3h3x h GLY 242 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 3h3x n LEU 243 N -2.38 2.36 -4.94 3.11 4.77 -1.03 -4.70 117.00 114.18 3h3x n LEU 243 Ca -0.01 -0.85 -0.24 0.00 -0.03 0.00 0.00 56.01 54.88 3h3x n LEU 243 Cb 0.05 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3h3x n LEU 243 CO 0.12 0.42 0.20 0.42 -1.33 0.00 0.00 177.39 177.22 3h3x s THR 244 N -1.90 4.99 0.12 -5.08 -4.23 -0.45 -4.50 115.64 104.59 3h3x s THR 244 Ca 0.34 -0.43 -0.23 0.00 -1.18 0.00 0.00 61.69 60.18 3h3x s THR 244 Cb 0.20 -3.83 -0.05 0.00 1.34 0.00 0.00 72.50 70.17 3h3x s THR 244 CO 0.31 -0.56 1.67 0.50 -0.54 0.00 0.00 174.62 176.00 3h3x h LYS 245 N 0.69 -0.23 0.73 3.99 3.64 -1.94 -2.91 116.57 120.54 3h3x h LYS 245 Ca -0.49 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.87 3h3x h LYS 245 Cb 1.22 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 33.10 3h3x h LYS 245 CO 0.61 -0.15 -0.35 -0.44 -2.27 0.00 0.00 179.45 176.85 3h3x h ASP 246 N -0.24 -0.83 -0.94 4.20 5.19 -1.96 -0.03 116.42 121.81 3h3x h ASP 246 Ca 0.07 0.02 0.11 0.00 -0.62 0.00 0.00 57.03 56.61 3h3x h ASP 246 Cb 0.33 0.21 -0.08 0.00 0.18 0.00 0.00 39.33 39.97 3h3x h ASP 246 CO -0.19 -0.58 0.58 -0.65 -3.12 0.00 0.00 179.24 175.28 3h3x h PRO 247 N -0.99 0.90 -0.12 3.56 0.11 -1.86 -1.81 132.00 131.79 3h3x h PRO 247 Ca -0.10 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.86 3h3x h PRO 247 Cb 0.75 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 3h3x h PRO 247 CO 0.16 0.60 -0.36 -0.07 -0.21 0.00 0.00 178.00 178.12 3h3x h LEU 248 N 0.93 0.25 -0.19 2.35 3.38 -1.36 -0.23 115.31 120.44 3h3x h LEU 248 Ca 0.46 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.33 3h3x h LEU 248 Cb 0.44 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3h3x h LEU 248 CO -0.26 0.60 0.10 0.00 0.09 0.00 0.00 178.44 178.97 3h3x h ALA 249 N 1.42 0.25 -0.47 1.53 0.00 -0.37 -1.79 119.26 119.83 3h3x h ALA 249 Ca 0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 3h3x h ALA 249 Cb 0.74 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3h3x h ALA 249 CO 0.06 -0.22 -0.05 -0.97 0.00 0.00 0.00 179.25 178.07 3h3x h ASN 250 N 0.20 0.79 -0.16 0.00 -0.00 -0.98 -0.62 115.58 114.82 3h3x h ASN 250 Ca 0.07 -0.22 0.01 0.00 -0.00 0.00 0.00 56.30 56.16 3h3x h ASN 250 Cb 0.07 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 38.17 3h3x h ASN 250 CO -0.01 0.89 0.09 0.22 -0.00 0.00 0.00 177.43 178.62 3h3x h TYR 251 N 0.75 0.17 -0.22 0.67 3.20 -1.00 0.43 116.97 120.97 3h3x h TYR 251 Ca 0.14 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3h3x h TYR 251 Cb 0.53 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 3h3x h TYR 251 CO 0.03 0.10 0.09 1.25 -1.64 0.00 0.00 178.16 177.99 3h3x h LEU 252 N 0.19 0.31 0.02 2.82 5.85 -1.03 -0.34 115.31 123.14 3h3x h LEU 252 Ca 0.06 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.64 3h3x h LEU 252 Cb -0.00 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3h3x h LEU 252 CO -0.03 0.39 -0.14 0.00 -0.34 0.00 0.00 178.44 178.32 3h3x h ALA 253 N 0.93 -0.18 -0.59 1.25 0.00 -0.98 -0.21 119.26 119.48 3h3x h ALA 253 Ca 0.07 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3h3x h ALA 253 Cb 0.18 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3h3x h ALA 253 CO -0.01 -0.64 0.35 -0.07 0.00 0.00 0.00 179.25 178.88 3h3x h LEU 254 N -0.25 0.57 -0.88 0.00 3.38 -0.85 -1.68 115.31 115.59 3h3x h LEU 254 Ca 0.04 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3h3x h LEU 254 Cb 0.30 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 3h3x h LEU 254 CO -0.13 0.39 0.49 0.28 0.09 0.00 0.00 178.44 179.57 3h3x h SER 255 N 0.69 1.09 0.21 -0.43 0.02 -0.88 -1.72 113.55 112.54 3h3x h SER 255 Ca 0.24 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 3h3x h SER 255 Cb 0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3h3x h SER 255 CO -0.11 0.87 -0.39 0.11 -1.14 0.00 0.00 176.83 176.18 3h3x h LYS 256 N 1.22 0.24 -0.32 3.45 1.57 -0.71 0.32 116.57 122.35 3h3x h LYS 256 Ca 0.31 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3h3x h LYS 256 Cb 0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3h3x h LYS 256 CO -0.05 0.60 0.14 1.49 -0.57 0.00 0.00 179.45 181.05 3h3x h GLU 257 N 0.21 0.48 -0.18 3.15 4.81 -1.05 -0.97 114.58 121.04 3h3x h GLU 257 Ca 0.02 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.14 3h3x h GLU 257 Cb 0.78 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 3h3x h GLU 257 CO 0.06 0.48 -0.01 0.28 -0.73 0.00 0.00 179.01 179.08 3h3x h VAL 258 N 0.38 1.27 -0.22 0.32 2.07 -0.94 -2.66 116.25 116.46 3h3x h VAL 258 Ca 0.11 -0.91 -0.03 0.00 0.82 0.00 0.00 66.70 66.68 3h3x h VAL 258 Cb 0.17 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3h3x h VAL 258 CO -0.01 0.27 -0.01 0.00 0.02 0.00 0.00 177.57 177.84 3h3x h GLN 260 N 0.31 0.46 -0.46 0.00 4.15 -1.07 -1.24 115.11 117.27 3h3x h GLN 260 Ca 0.07 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.40 3h3x h GLN 260 Cb 0.24 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.80 3h3x h GLN 260 CO 0.01 0.30 0.02 0.35 -1.93 0.00 0.00 178.83 177.58 3h3x h PHE 261 N 0.47 0.79 -0.51 3.99 3.57 -0.89 0.25 116.94 124.60 3h3x h PHE 261 Ca 0.14 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 3h3x h PHE 261 Cb -0.02 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 3h3x h PHE 261 CO -0.06 0.72 0.19 0.28 -2.23 0.00 0.00 178.31 177.21 3h3x h VAL 262 N 0.71 1.22 0.00 1.41 2.07 -0.98 0.45 116.25 121.12 3h3x h VAL 262 Ca 0.14 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 3h3x h VAL 262 Cb 0.40 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3h3x h VAL 262 CO 0.01 0.26 -0.19 0.78 0.02 0.00 0.00 177.57 178.45 3h3x h ASN 263 N 0.69 0.00 0.46 0.57 2.35 -0.70 -0.78 115.58 118.16 3h3x h ASN 263 Ca 0.17 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.62 3h3x h ASN 263 Cb 0.22 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.54 3h3x h ASN 263 CO -0.01 0.19 -1.74 -0.62 -1.65 0.00 0.00 177.43 173.60 3h3x n GLU 264 N -3.15 0.64 0.06 0.81 1.02 0.82 -4.57 120.64 116.27 3h3x n GLU 264 Ca 0.03 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 3h3x n GLU 264 Cb 0.60 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 3h3x n GLU 264 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3h3x h TYR 266 N 0.00 -1.01 0.34 0.00 3.20 -1.39 0.14 116.97 118.26 3h3x h TYR 266 Ca 0.00 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3h3x h TYR 266 Cb 0.00 0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.68 3h3x h TYR 266 CO 0.00 -0.51 -0.16 0.82 -1.64 0.00 0.00 178.16 176.67 3h3x h ILE 267 N -0.73 0.68 -0.85 1.81 1.08 -1.42 0.26 117.51 118.34 3h3x h ILE 267 Ca -0.02 -0.19 0.13 0.00 -0.39 0.00 0.00 64.86 64.40 3h3x h ILE 267 Cb 0.68 0.78 -0.09 0.00 -3.07 0.00 0.00 36.82 35.12 3h3x h ILE 267 CO -0.10 0.04 0.46 -0.65 -0.69 0.00 0.00 178.15 177.21 3h3x h PRO 268 N -0.56 0.66 -0.16 2.37 0.11 -1.79 0.54 132.00 133.17 3h3x h PRO 268 Ca -0.05 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.02 3h3x h PRO 268 Cb 0.42 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 3h3x h PRO 268 CO 0.08 0.44 0.08 -0.44 -0.21 0.00 0.00 178.00 177.95 3h3x h ASP 269 N 0.68 0.21 -0.47 -2.05 3.32 -0.37 0.92 116.42 118.66 3h3x h ASP 269 Ca 0.45 -0.10 0.05 0.00 0.02 0.00 0.00 57.03 57.45 3h3x h ASP 269 Cb 0.58 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 40.03 3h3x h ASP 269 CO -0.33 0.25 0.20 0.25 -1.72 0.00 0.00 179.24 177.90 3h3x h LEU 270 N 0.15 0.26 -0.59 1.55 5.85 0.10 -0.50 115.31 122.13 3h3x h LEU 270 Ca 0.06 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3h3x h LEU 270 Cb 0.09 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3h3x h LEU 270 CO -0.01 0.19 0.12 -0.07 -0.34 0.00 0.00 178.44 178.33 3h3x h LEU 271 N 0.41 0.92 0.04 2.25 3.38 -0.67 -0.58 115.31 121.05 3h3x h LEU 271 Ca 0.22 -0.25 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3h3x h LEU 271 Cb 0.17 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3h3x h LEU 271 CO -0.19 0.93 -0.02 0.00 0.09 0.00 0.00 178.44 179.25 3h3x h ALA 272 N 1.02 -0.05 -0.39 1.53 0.00 -0.32 -0.53 119.26 120.52 3h3x h ALA 272 Ca 0.18 -0.15 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3h3x h ALA 272 Cb 0.38 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 3h3x h ALA 272 CO 0.01 -0.38 -0.21 0.28 0.00 0.00 0.00 179.25 178.95 3h3x h VAL 273 N -0.34 0.41 -0.83 0.00 2.07 -1.08 -1.15 116.25 115.32 3h3x h VAL 273 Ca -0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.56 3h3x h VAL 273 Cb 0.32 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.44 3h3x h VAL 273 CO 0.01 0.00 0.55 0.00 0.02 0.00 0.00 177.57 178.15 3h3x h ALA 274 N 1.11 1.51 -0.95 1.67 0.00 -0.99 -1.10 119.26 120.52 3h3x h ALA 274 Ca 0.19 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3h3x h ALA 274 Cb 0.43 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 3h3x h ALA 274 CO -0.48 0.39 0.61 0.78 0.00 0.00 0.00 179.25 180.55 3h3x h GLY 275 N 1.00 1.41 1.75 0.00 0.00 0.15 -2.20 103.07 105.18 3h3x h GLY 275 Ca 0.34 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.22 3h3x h GLY 275 CO -0.11 0.35 -0.25 0.74 0.00 0.00 0.00 176.54 177.28 3h3x h PHE 276 N 1.14 0.00 -0.78 5.60 0.04 -0.71 -3.32 116.94 118.90 3h3x h PHE 276 Ca 0.40 0.00 -0.55 0.00 2.80 0.00 0.00 57.97 60.61 3h3x h PHE 276 Cb 0.10 0.00 -0.36 0.00 2.20 0.00 0.00 35.95 37.88 3h3x h PHE 276 CO -0.01 0.00 -0.29 0.66 -0.60 0.00 0.00 178.31 178.07 3h3x n TYR 277 N -2.97 2.74 -0.23 -0.55 4.02 -0.52 -4.76 117.16 114.88 3h3x n TYR 277 Ca 0.03 -2.40 0.20 0.00 -0.01 0.00 0.00 57.90 55.72 3h3x n TYR 277 Cb 0.53 -0.66 0.53 0.00 -0.02 0.00 0.00 39.34 39.72 3h3x n TYR 277 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 3h3x h LYS 278 N 2.03 0.36 -0.10 -0.72 1.57 -1.53 0.21 116.57 118.38 3h3x h LYS 278 Ca 0.42 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 59.21 3h3x h LYS 278 Cb 1.34 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.57 3h3x h LYS 278 CO 0.96 0.24 0.09 0.38 -0.57 0.00 0.00 179.45 180.55 3h3x h ASP 279 N 0.37 0.00 0.37 0.86 2.03 -1.89 -0.18 116.42 117.98 3h3x h ASP 279 Ca 0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.76 3h3x h ASP 279 Cb 1.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.72 3h3x h ASP 279 CO -0.16 0.00 0.00 0.79 -1.03 0.00 0.00 179.24 178.84 3h3x n TRP 280 N -4.15 0.00 0.40 4.15 7.02 0.72 -1.78 117.44 123.80 3h3x n TRP 280 Ca -0.00 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.52 3h3x n TRP 280 Cb 0.20 -0.38 0.21 0.00 -2.42 0.00 0.00 31.31 28.93 3h3x n TRP 280 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3h3x n GLY 281 N -0.03 -0.56 0.16 6.99 0.00 -0.08 -2.59 105.19 109.08 3h3x n GLY 281 Ca 0.05 -0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.09 3h3x n GLY 281 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 282 N -0.56 3.26 3.20 -0.02 0.00 -0.73 -4.66 105.19 105.67 3h3x n GLY 282 Ca 0.04 -0.68 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 3h3x n GLY 282 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h3x s ILE 283 N -1.84 1.53 -0.44 -0.61 1.01 -1.17 -4.86 121.20 114.81 3h3x s ILE 283 Ca 0.19 -0.83 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3h3x s ILE 283 Cb 0.17 -1.28 0.00 0.00 0.01 0.00 0.00 42.46 41.36 3h3x s ILE 283 CO 0.02 0.43 0.00 0.61 0.00 0.00 0.00 174.94 176.00 3h3x n GLY 284 N 2.62 0.35 3.80 6.18 0.00 -1.25 0.10 105.19 116.99 3h3x n GLY 284 Ca -0.15 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 3h3x n GLY 284 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h3x s GLY 285 N -2.83 2.57 0.00 -0.02 0.00 -1.24 -3.82 107.32 101.98 3h3x s GLY 285 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.25 3h3x s GLY 285 CO 0.00 0.88 0.00 -1.30 0.00 0.00 0.00 173.10 172.68 3h3x n THR 286 N -0.33 0.00 0.00 0.90 -2.24 -1.26 -4.47 114.28 106.88 3h3x n THR 286 Ca 0.06 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3h3x n THR 286 Cb 0.52 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 3h3x n THR 286 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3h3x n SER 287 N -1.30 1.79 -4.49 3.42 7.64 -1.26 -4.87 113.62 114.55 3h3x n SER 287 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 3h3x n SER 287 Cb 0.00 0.26 -0.13 0.00 -1.01 0.00 0.00 64.21 63.33 3h3x n SER 287 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3h3x s ASN 288 N -1.28 4.43 0.01 6.43 0.01 -1.26 -1.63 114.94 121.65 3h3x s ASN 288 Ca 0.00 -0.16 0.05 0.00 -0.71 0.00 0.00 52.86 52.04 3h3x s ASN 288 Cb 0.00 -1.42 -0.02 0.00 0.41 0.00 0.00 41.25 40.23 3h3x s ASN 288 CO 0.00 0.25 -0.16 -0.31 -1.51 0.00 0.00 177.10 175.38 3h3x s TYR 289 N -0.16 1.39 -0.03 2.20 2.02 0.72 -0.40 117.35 123.10 3h3x s TYR 289 Ca 0.01 -0.30 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 3h3x s TYR 289 Cb -0.13 -0.86 0.02 0.00 -0.40 0.00 0.00 41.96 40.59 3h3x s TYR 289 CO 0.03 0.01 -0.02 -1.17 -1.57 0.00 0.00 175.55 172.84 3h3x s LEU 290 N -0.73 1.39 0.03 -1.29 2.96 -0.68 -0.69 118.68 119.67 3h3x s LEU 290 Ca 0.05 -0.06 0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3h3x s LEU 290 Cb -0.07 -0.26 -0.02 0.00 0.50 0.00 0.00 46.19 46.34 3h3x s LEU 290 CO 0.00 -0.06 -0.08 0.00 -1.32 0.00 0.00 176.35 174.90 3h3x s ALA 291 N 0.74 0.63 -1.81 5.97 0.00 -0.87 -4.38 121.76 122.04 3h3x s ALA 291 Ca -0.08 -0.62 0.24 0.00 0.00 0.00 0.00 51.96 51.50 3h3x s ALA 291 Cb -0.11 -0.03 0.30 0.00 0.00 0.00 0.00 23.12 23.27 3h3x s ALA 291 CO -0.01 0.05 1.28 1.19 0.00 0.00 0.00 175.76 178.27 3h3x n PHE 292 N 1.95 0.00 -0.27 0.00 3.72 -1.26 -1.78 117.46 119.82 3h3x n PHE 292 Ca -0.19 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.22 3h3x n PHE 292 Cb 0.56 -0.06 -0.01 0.00 -0.94 0.00 0.00 39.48 39.03 3h3x n PHE 292 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h3x n GLY 293 N 1.40 -2.91 3.32 1.37 0.00 -1.26 -4.44 105.19 102.66 3h3x n GLY 293 Ca 0.10 -1.29 -0.10 0.00 0.00 0.00 0.00 46.02 44.73 3h3x n GLY 293 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h3x s GLU 294 N -3.83 1.21 -1.01 1.61 2.56 -0.60 -3.09 118.70 115.55 3h3x s GLU 294 Ca 0.00 -1.37 -0.06 0.00 0.00 0.00 0.00 54.97 53.54 3h3x s GLU 294 Cb 0.00 0.34 -0.07 0.00 2.00 0.00 0.00 34.13 36.41 3h3x s GLU 294 CO 0.00 -0.43 0.89 1.19 -0.56 0.00 0.00 175.26 176.35 3h3x n PHE 295 N -0.24 -2.38 -2.93 5.30 3.72 -1.26 -1.72 117.46 117.95 3h3x n PHE 295 Ca -0.03 0.83 -0.33 0.00 -0.05 0.00 0.00 57.45 57.86 3h3x n PHE 295 Cb 0.64 -4.07 -0.07 0.00 -0.94 0.00 0.00 39.48 35.04 3h3x n PHE 295 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h3x s ALA 296 N -3.38 3.16 -0.55 4.37 0.00 -1.26 -0.27 121.76 123.85 3h3x s ALA 296 Ca 0.44 0.29 0.24 0.00 0.00 0.00 0.00 51.96 52.92 3h3x s ALA 296 Cb -0.06 -3.01 0.27 0.00 0.00 0.00 0.00 23.12 20.32 3h3x s ALA 296 CO 0.71 0.21 1.28 1.79 0.00 0.00 0.00 175.76 179.75 3h3x h THR 297 N 2.04 0.00 -3.19 0.00 1.35 -1.87 -3.43 112.91 107.81 3h3x h THR 297 Ca -0.48 -0.62 -0.57 0.00 -0.55 0.00 0.00 66.41 64.18 3h3x h THR 297 Cb 1.18 1.21 -0.40 0.00 -1.73 0.00 0.00 68.15 68.41 3h3x h THR 297 CO 0.63 0.00 -0.76 -0.62 -0.25 0.00 0.00 175.52 174.52 3h3x s ASP 298 N -4.56 3.82 -0.32 5.36 -1.08 -1.26 -4.98 116.67 113.65 3h3x s ASP 298 Ca 0.05 -1.47 0.08 0.00 -0.52 0.00 0.00 52.55 50.69 3h3x s ASP 298 Cb 0.12 -0.82 0.54 0.00 -1.46 0.00 0.00 42.92 41.30 3h3x s ASP 298 CO 0.73 -0.39 1.56 0.47 0.52 0.00 0.00 175.17 178.06 3h3x n ASP 299 N 4.88 2.80 0.04 -0.34 8.00 -1.26 -2.78 116.55 127.90 3h3x n ASP 299 Ca -0.04 -3.72 0.12 0.00 0.71 0.00 0.00 54.79 51.86 3h3x n ASP 299 Cb 0.43 -0.68 0.48 0.00 -0.02 0.00 0.00 41.12 41.34 3h3x n ASP 299 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3h3x n SER 300 N -1.09 0.30 -3.47 -2.24 3.41 -1.26 -4.75 113.62 104.51 3h3x n SER 300 Ca 0.38 0.54 -0.13 0.00 -0.26 0.00 0.00 58.87 59.40 3h3x n SER 300 Cb 1.16 -0.62 -0.03 0.00 -0.26 0.00 0.00 64.21 64.46 3h3x n SER 300 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3h3x s SER 301 N -3.55 -0.57 0.18 4.04 1.04 -1.26 -4.79 113.70 108.79 3h3x s SER 301 Ca 0.10 0.24 -0.13 0.00 0.48 0.00 0.00 55.95 56.64 3h3x s SER 301 Cb 0.14 0.55 0.18 0.00 0.10 0.00 0.00 66.02 66.98 3h3x s SER 301 CO 0.47 -0.79 1.71 -0.65 0.98 0.00 0.00 173.24 174.96 3h3x h PRO 302 N 2.33 0.21 -0.43 4.02 0.11 -1.90 0.74 132.00 137.08 3h3x h PRO 302 Ca -0.30 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.88 3h3x h PRO 302 Cb 1.24 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 32.21 3h3x h PRO 302 CO 0.37 0.14 -0.32 0.93 -0.21 0.00 0.00 178.00 178.91 3h3x h GLU 303 N 0.21 -0.23 -0.52 1.05 3.07 -1.97 -0.79 114.58 115.41 3h3x h GLU 303 Ca 0.24 0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 59.09 3h3x h GLU 303 Cb 0.33 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.26 3h3x h GLU 303 CO -0.33 -0.15 0.19 0.87 -1.40 0.00 0.00 179.01 178.19 3h3x h LYS 304 N -0.23 0.75 -0.02 2.33 1.79 -1.61 -1.83 116.57 117.73 3h3x h LYS 304 Ca 0.18 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3h3x h LYS 304 Cb 0.54 -0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.05 3h3x h LYS 304 CO -0.56 0.63 0.01 1.25 -1.08 0.00 0.00 179.45 179.70 3h3x h HIS 305 N 0.74 0.03 -0.83 -1.35 2.76 -0.32 -0.63 115.15 115.54 3h3x h HIS 305 Ca 0.18 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.43 3h3x h HIS 305 Cb 0.17 -0.01 -0.06 0.00 1.55 0.00 0.00 27.41 29.06 3h3x h HIS 305 CO 0.01 0.14 0.54 -0.07 -1.30 0.00 0.00 177.93 177.25 3h3x h LEU 306 N -0.09 0.73 0.00 0.26 3.38 -0.84 -2.06 115.31 116.69 3h3x h LEU 306 Ca 0.01 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 3h3x h LEU 306 Cb 0.12 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3h3x h LEU 306 CO -0.00 0.45 -1.14 0.00 0.09 0.00 0.00 178.44 177.84 3h3x h ALA 307 N 1.57 0.65 -0.02 1.53 0.00 -0.99 -3.37 119.26 118.63 3h3x h ALA 307 Ca 0.38 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3h3x h ALA 307 Cb 0.38 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h3x h ALA 307 CO -0.15 0.86 0.00 0.25 0.00 0.00 0.00 179.25 180.21 3h3x n THR 308 N -3.01 0.42 -1.69 0.00 -2.24 -0.27 -5.00 114.28 102.49 3h3x n THR 308 Ca -0.06 -0.71 -0.44 0.00 -2.27 0.00 0.00 64.05 60.57 3h3x n THR 308 Cb 0.82 0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 69.82 3h3x n THR 308 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3h3x n SER 309 N -0.12 3.47 0.11 3.42 7.64 -0.80 -2.73 113.62 124.61 3h3x n SER 309 Ca 0.01 1.07 -0.02 0.00 1.01 0.00 0.00 58.87 60.95 3h3x n SER 309 Cb 0.13 -1.49 0.21 0.00 -1.01 0.00 0.00 64.21 62.05 3h3x n SER 309 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 3h3x h GLN 310 N 6.25 0.16 -4.76 1.43 4.20 -0.34 -3.27 115.11 118.78 3h3x h GLN 310 Ca -0.44 -0.09 -0.70 0.00 0.06 0.00 0.00 58.65 57.48 3h3x h GLN 310 Cb 1.23 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.82 3h3x h GLN 310 CO 0.91 0.61 0.29 -0.06 -0.67 0.00 0.00 178.83 179.92 3h3x s PHE 311 N -3.98 3.05 0.71 2.96 0.40 -0.70 -5.01 117.98 115.41 3h3x s PHE 311 Ca -0.04 -1.08 -0.15 0.00 -0.60 0.00 0.00 56.93 55.07 3h3x s PHE 311 Cb 0.13 -4.08 0.03 0.00 0.51 0.00 0.00 43.02 39.61 3h3x s PHE 311 CO 0.77 -1.35 1.16 -1.25 0.70 0.00 0.00 175.22 175.25 3h3x s PRO 312 N 2.62 2.40 0.64 0.24 0.04 -1.24 -1.55 135.00 138.16 3h3x s PRO 312 Ca 0.17 1.57 -0.08 0.00 0.04 0.00 0.00 61.00 62.70 3h3x s PRO 312 Cb -0.19 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.48 3h3x s PRO 312 CO 0.03 -1.60 0.99 -1.54 0.04 0.00 0.00 177.00 174.92 3h3x s SER 313 N -2.34 5.49 0.00 6.66 1.04 -1.26 -4.21 113.70 119.09 3h3x s SER 313 Ca 0.70 0.87 0.00 0.00 0.48 0.00 0.00 55.95 58.00 3h3x s SER 313 Cb -0.25 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.11 3h3x s SER 313 CO 0.44 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3h3x n GLY 314 N -2.77 -2.03 2.83 7.32 0.00 -0.73 -4.92 105.19 104.89 3h3x n GLY 314 Ca 0.06 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.66 3h3x n GLY 314 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3x s VAL 315 N -2.36 0.54 -0.11 1.61 1.01 -0.33 -2.05 120.40 118.71 3h3x s VAL 315 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.96 3h3x s VAL 315 Cb 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 3h3x s VAL 315 CO 0.00 0.27 -0.09 -0.63 0.00 0.00 0.00 175.10 174.65 3h3x s ILE 316 N 1.65 3.49 -0.02 2.22 1.01 0.13 -1.28 121.20 128.40 3h3x s ILE 316 Ca 0.01 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.19 3h3x s ILE 316 Cb -0.13 -2.46 -0.02 0.00 0.01 0.00 0.00 42.46 39.86 3h3x s ILE 316 CO -0.04 0.55 -0.21 -0.89 0.00 0.00 0.00 174.94 174.34 3h3x s THR 317 N -0.13 1.66 -1.48 2.92 2.01 -1.26 -0.20 115.64 119.17 3h3x s THR 317 Ca 0.01 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.02 3h3x s THR 317 Cb -0.13 -1.39 0.06 0.00 0.01 0.00 0.00 72.50 71.05 3h3x s THR 317 CO 0.03 0.47 0.80 0.61 -0.69 0.00 0.00 174.62 175.84 3h3x n GLY 318 N 2.61 -0.39 2.33 4.40 0.00 -1.07 -1.67 105.19 111.39 3h3x n GLY 318 Ca -0.16 0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 3h3x n GLY 318 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3x n ARG 319 N -4.50 -1.50 -2.73 1.61 1.74 -0.65 -4.89 116.66 105.75 3h3x n ARG 319 Ca -0.10 0.96 -0.43 0.00 -0.77 0.00 0.00 57.85 57.52 3h3x n ARG 319 Cb 0.58 -5.35 -0.02 0.00 -1.02 0.00 0.00 32.46 26.66 3h3x n ARG 319 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3h3x s ASP 320 N -2.35 6.72 0.56 0.55 -1.08 -0.67 -4.81 116.67 115.59 3h3x s ASP 320 Ca 0.00 -2.12 0.38 0.00 -0.52 0.00 0.00 52.55 50.29 3h3x s ASP 320 Cb 0.00 -2.50 2.01 0.00 -1.46 0.00 0.00 42.92 40.97 3h3x s ASP 320 CO 0.00 -1.18 2.16 -0.07 0.52 0.00 0.00 175.17 176.60 3h3x h LEU 321 N 11.59 0.00 -0.03 -1.34 3.38 -1.90 -2.84 115.31 124.17 3h3x h LEU 321 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 3h3x h LEU 321 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 3h3x h LEU 321 CO 1.32 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 180.45 3h3x n GLY 322 N -1.00 -1.17 2.81 0.83 0.00 -1.26 -4.61 105.19 100.79 3h3x n GLY 322 Ca -0.02 -0.17 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 3h3x n GLY 322 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h3x s LYS 323 N -2.41 0.69 -0.35 1.61 2.20 -1.07 -5.10 119.74 115.30 3h3x s LYS 323 Ca 0.34 -0.84 -0.24 0.00 -0.36 0.00 0.00 55.97 54.87 3h3x s LYS 323 Cb 0.21 -0.62 0.01 0.00 -1.51 0.00 0.00 37.83 35.91 3h3x s LYS 323 CO 0.44 -1.21 0.82 0.08 -0.36 0.00 0.00 175.35 175.12 3h3x s VAL 324 N 1.41 4.71 0.56 4.02 1.01 -1.26 -4.67 120.40 126.18 3h3x s VAL 324 Ca 0.18 1.01 -0.05 0.00 0.00 0.00 0.00 61.98 63.12 3h3x s VAL 324 Cb -0.13 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.02 3h3x s VAL 324 CO -0.03 -0.42 0.86 -1.81 0.00 0.00 0.00 175.10 173.70 3h3x s ASP 325 N 1.81 5.70 0.54 3.32 1.01 -0.41 -4.82 116.67 123.81 3h3x s ASP 325 Ca 0.33 0.70 -0.14 0.00 0.71 0.00 0.00 52.55 54.15 3h3x s ASP 325 Cb -0.13 -1.75 -0.06 0.00 1.01 0.00 0.00 42.92 41.98 3h3x s ASP 325 CO 0.16 -0.97 0.97 0.20 0.21 0.00 0.00 175.17 175.75 3h3x s ASN 326 N -4.27 6.48 -0.02 0.27 0.01 -1.26 -1.19 114.94 114.95 3h3x s ASN 326 Ca 0.53 1.46 -0.30 0.00 -0.71 0.00 0.00 52.86 53.83 3h3x s ASN 326 Cb -0.10 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 3h3x s ASN 326 CO 0.44 -0.66 1.23 -0.69 -1.51 0.00 0.00 177.10 175.91 3h3x s VAL 327 N -2.78 4.13 -0.45 1.60 1.01 -1.26 -4.71 120.40 117.94 3h3x s VAL 327 Ca 0.57 1.49 -0.16 0.00 0.00 0.00 0.00 61.98 63.87 3h3x s VAL 327 Cb -0.10 -3.96 0.05 0.00 0.00 0.00 0.00 36.38 32.37 3h3x s VAL 327 CO 0.39 0.02 0.41 -0.62 0.00 0.00 0.00 175.10 175.30 3h3x s ASP 328 N 1.44 6.16 0.50 3.32 -1.08 -1.26 -4.96 116.67 120.79 3h3x s ASP 328 Ca 0.58 -1.04 0.25 0.00 -0.52 0.00 0.00 52.55 51.82 3h3x s ASP 328 Cb -0.27 -2.20 1.33 0.00 -1.46 0.00 0.00 42.92 40.32 3h3x s ASP 328 CO 0.24 -0.62 2.03 -0.07 0.52 0.00 0.00 175.17 177.27 3h3x h LEU 329 N 8.90 0.00 -0.80 -1.34 3.38 -2.00 -1.27 115.31 122.18 3h3x h LEU 329 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3h3x h LEU 329 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3h3x h LEU 329 CO 0.84 0.15 0.00 0.61 0.09 0.00 0.00 178.44 180.12 3h3x n GLY 330 N -0.60 -0.11 0.03 0.83 0.00 -1.26 -3.65 105.19 100.44 3h3x n GLY 330 Ca -0.02 -0.36 0.12 0.00 0.00 0.00 0.00 46.02 45.77 3h3x n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x n ALA 331 N -0.01 3.30 -2.71 4.61 0.00 -0.48 -4.91 120.51 120.30 3h3x n ALA 331 Ca 0.17 -0.32 -0.40 0.00 0.00 0.00 0.00 53.44 52.89 3h3x n ALA 331 Cb 0.28 -1.18 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 3h3x n ALA 331 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3h3x s ILE 332 N -2.92 5.01 0.11 0.00 1.01 -1.24 -2.44 121.20 120.74 3h3x s ILE 332 Ca 0.14 1.56 -0.05 0.00 0.00 0.00 0.00 60.65 62.29 3h3x s ILE 332 Cb 0.18 -4.09 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 3h3x s ILE 332 CO 0.65 0.23 0.14 -0.72 0.00 0.00 0.00 174.94 175.24 3h3x s TYR 333 N 0.86 0.47 -0.11 3.97 1.13 -0.61 -4.31 117.35 118.75 3h3x s TYR 333 Ca 0.40 -0.89 0.02 0.00 -1.41 0.00 0.00 57.07 55.19 3h3x s TYR 333 Cb -0.18 -0.22 -0.01 0.00 -1.10 0.00 0.00 41.96 40.44 3h3x s TYR 333 CO 0.20 -0.56 -0.18 -1.21 -2.51 0.00 0.00 175.55 171.29 3h3x s GLU 334 N -3.95 3.16 0.15 -3.49 2.02 -0.36 -0.48 118.70 115.76 3h3x s GLU 334 Ca 0.14 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.39 3h3x s GLU 334 Cb 0.06 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.78 3h3x s GLU 334 CO -0.04 0.24 0.26 -0.51 0.02 0.00 0.00 175.26 175.23 3h3x s ASP 335 N 0.24 6.20 0.00 -0.19 1.01 0.15 -2.39 116.67 121.69 3h3x s ASP 335 Ca -0.12 0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.26 3h3x s ASP 335 Cb -0.16 -1.83 0.00 0.00 1.01 0.00 0.00 42.92 41.94 3h3x s ASP 335 CO 0.06 0.05 0.47 1.33 0.21 0.00 0.00 175.17 177.29 3h3x n VAL 336 N -0.53 0.19 -0.30 -1.27 0.24 -1.26 -0.54 118.33 114.87 3h3x n VAL 336 Ca -0.07 -0.41 0.13 0.00 -2.04 0.00 0.00 64.34 61.95 3h3x n VAL 336 Cb 0.54 1.17 0.29 0.00 -1.47 0.00 0.00 33.84 34.37 3h3x n VAL 336 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3h3x h LYS 337 N 0.00 0.25 -0.41 7.34 3.64 -1.90 0.36 116.57 125.86 3h3x h LYS 337 Ca 0.00 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3h3x h LYS 337 Cb 0.35 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 3h3x h LYS 337 CO 0.00 0.17 0.05 0.66 -2.27 0.00 0.00 179.45 178.06 3h3x n TYR 338 N -5.17 1.39 -4.29 1.91 4.02 -1.26 -4.72 117.16 109.04 3h3x n TYR 338 Ca 0.21 -1.09 -0.24 0.00 -0.01 0.00 0.00 57.90 56.78 3h3x n TYR 338 Cb 0.67 -0.45 -0.07 0.00 -0.02 0.00 0.00 39.34 39.47 3h3x n TYR 338 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3h3x s SER 339 N -1.79 4.52 -0.29 7.72 0.01 0.12 -1.57 113.70 122.41 3h3x s SER 339 Ca 0.46 -0.63 -0.05 0.00 1.31 0.00 0.00 55.95 57.05 3h3x s SER 339 Cb 0.38 -0.84 -0.16 0.00 0.21 0.00 0.00 66.02 65.61 3h3x s SER 339 CO 0.08 0.02 2.64 0.79 0.41 0.00 0.00 173.24 177.18 3h3x n TRP 340 N -0.75 0.44 -4.46 2.43 8.01 0.69 -4.75 117.44 119.05 3h3x n TRP 340 Ca -0.07 -1.39 -0.22 0.00 -1.31 0.00 0.00 57.50 54.51 3h3x n TRP 340 Cb 0.58 -1.43 -0.11 0.00 -2.01 0.00 0.00 31.31 28.35 3h3x n TRP 340 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 3h3x s TYR 341 N 1.94 2.02 -0.14 -5.99 2.02 -1.24 -0.92 117.35 115.05 3h3x s TYR 341 Ca 0.48 -0.80 -0.34 0.00 -0.37 0.00 0.00 57.07 56.04 3h3x s TYR 341 Cb 0.20 -1.26 -0.11 0.00 -0.40 0.00 0.00 41.96 40.39 3h3x s TYR 341 CO -0.01 0.19 1.97 0.00 -1.57 0.00 0.00 175.55 176.13 3h3x n ALA 342 N -0.67 1.03 -1.42 3.71 0.00 -0.12 -4.65 120.51 118.39 3h3x n ALA 342 Ca -0.04 0.16 -0.50 0.00 0.00 0.00 0.00 53.44 53.07 3h3x n ALA 342 Cb 0.65 -2.56 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 3h3x n ALA 342 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3h3x n PRO 343 N 7.18 0.05 -0.38 0.00 -0.02 -1.26 -3.05 135.00 137.52 3h3x n PRO 343 Ca 0.26 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 3h3x n PRO 343 Cb 0.31 -1.11 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 3h3x n PRO 343 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h3x n GLY 344 N 1.91 0.78 1.28 -1.23 0.00 -1.26 -4.94 105.19 101.73 3h3x n GLY 344 Ca 0.18 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.02 3h3x n GLY 344 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h3x n GLY 345 N -2.38 2.92 3.76 -0.02 0.00 -1.17 -5.03 105.19 103.28 3h3x n GLY 345 Ca 0.00 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.90 3h3x n GLY 345 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h3x s ASP 346 N -1.08 5.21 -1.72 1.61 1.01 -1.26 -4.02 116.67 116.41 3h3x s ASP 346 Ca 0.44 2.14 0.00 0.00 0.71 0.00 0.00 52.55 55.84 3h3x s ASP 346 Cb 0.28 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.64 3h3x s ASP 346 CO 0.21 -1.57 0.00 0.61 0.21 0.00 0.00 175.17 174.64 3h3x n GLY 347 N -0.08 -0.29 3.68 0.21 0.00 -1.01 -4.95 105.19 102.76 3h3x n GLY 347 Ca 0.11 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 3h3x n GLY 347 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3x s LYS 348 N -4.90 4.27 0.52 1.61 -0.14 -1.00 -4.83 119.74 115.28 3h3x s LYS 348 Ca 0.00 0.55 -0.21 0.00 -1.36 0.00 0.00 55.97 54.95 3h3x s LYS 348 Cb 0.00 -3.52 -0.06 0.00 -1.68 0.00 0.00 37.83 32.58 3h3x s LYS 348 CO 0.00 -0.07 1.23 -1.58 -0.76 0.00 0.00 175.35 174.17 3h3x s HIS 349 N 1.34 2.57 0.61 3.18 5.65 -1.26 -1.22 115.29 126.15 3h3x s HIS 349 Ca 0.28 1.48 0.33 0.00 0.25 0.00 0.00 55.06 57.41 3h3x s HIS 349 Cb -0.16 -3.52 1.98 0.00 -1.18 0.00 0.00 32.58 29.70 3h3x s HIS 349 CO 0.11 -2.10 2.28 -1.35 -0.65 0.00 0.00 174.74 173.04 3h3x h PRO 350 N 1.53 0.00 0.00 2.88 0.11 -1.95 0.38 132.00 134.95 3h3x h PRO 350 Ca -0.50 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3h3x h PRO 350 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 3h3x h PRO 350 CO 0.58 0.00 -0.11 1.88 -0.21 0.00 0.00 178.00 180.14 3h3x h TYR 351 N 0.00 0.00 -0.23 0.65 0.05 -1.91 -1.76 116.97 113.77 3h3x h TYR 351 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3h3x h TYR 351 Cb 0.01 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.75 3h3x h TYR 351 CO 0.00 0.11 0.00 -0.25 -1.05 0.00 0.00 178.16 176.97 3h3x n ASP 352 N -3.85 3.13 -4.56 3.88 8.00 0.12 -4.91 116.55 118.36 3h3x n ASP 352 Ca -0.02 -2.53 -0.45 0.00 0.71 0.00 0.00 54.79 52.49 3h3x n ASP 352 Cb 0.21 -0.35 -0.02 0.00 -0.02 0.00 0.00 41.12 40.94 3h3x n ASP 352 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h3x n GLY 353 N -0.25 -0.46 3.08 0.44 0.00 -0.60 -4.76 105.19 102.66 3h3x n GLY 353 Ca 0.15 0.33 -0.22 0.00 0.00 0.00 0.00 46.02 46.28 3h3x n GLY 353 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h3x s VAL 354 N -1.04 1.04 -0.39 1.61 1.01 -1.26 -5.00 120.40 116.38 3h3x s VAL 354 Ca 0.59 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.04 3h3x s VAL 354 Cb -0.73 -0.88 0.14 0.00 0.00 0.00 0.00 36.38 34.91 3h3x s VAL 354 CO 0.59 0.30 0.23 -0.89 0.00 0.00 0.00 175.10 175.33 3h3x s THR 355 N -0.19 0.66 -0.50 3.92 2.01 -1.26 -5.05 115.64 115.23 3h3x s THR 355 Ca 0.03 -2.11 0.03 0.00 0.31 0.00 0.00 61.69 59.95 3h3x s THR 355 Cb -0.06 -1.47 0.14 0.00 0.01 0.00 0.00 72.50 71.11 3h3x s THR 355 CO -0.00 -0.97 0.29 -0.62 -0.69 0.00 0.00 174.62 172.63 3h3x s ASP 356 N 0.72 3.88 0.37 3.53 2.15 -1.26 -4.87 116.67 121.19 3h3x s ASP 356 Ca 0.19 -2.94 -0.27 0.00 0.43 0.00 0.00 52.55 49.95 3h3x s ASP 356 Cb -0.22 -1.26 -0.10 0.00 -0.30 0.00 0.00 42.92 41.04 3h3x s ASP 356 CO -0.01 -0.22 1.36 -2.16 -0.17 0.00 0.00 175.17 173.96 3h3x s PRO 357 N -0.11 4.13 -0.32 4.34 0.04 -1.26 -0.95 135.00 140.87 3h3x s PRO 357 Ca 0.19 2.30 0.04 0.00 0.04 0.00 0.00 61.00 63.57 3h3x s PRO 357 Cb -0.20 -2.92 0.17 0.00 0.04 0.00 0.00 34.50 31.59 3h3x s PRO 357 CO -0.03 -0.41 0.50 0.21 0.04 0.00 0.00 177.00 177.31 3h3x s LYS 358 N -2.05 0.56 0.48 4.56 2.20 -0.09 -4.71 119.74 120.70 3h3x s LYS 358 Ca 0.53 0.05 -0.20 0.00 -0.36 0.00 0.00 55.97 55.99 3h3x s LYS 358 Cb -0.41 -0.12 -0.09 0.00 -1.51 0.00 0.00 37.83 35.70 3h3x s LYS 358 CO 0.54 -1.09 1.01 -0.47 -0.36 0.00 0.00 175.35 174.99 3h3x s TYR 359 N 2.35 3.11 0.00 4.03 5.04 -1.26 -3.67 117.35 126.96 3h3x s TYR 359 Ca 0.12 1.57 0.00 0.00 -2.44 0.00 0.00 57.07 56.32 3h3x s TYR 359 Cb -0.10 -2.99 0.00 0.00 0.35 0.00 0.00 41.96 39.22 3h3x s TYR 359 CO -0.21 -0.64 0.00 0.25 -1.34 0.00 0.00 175.55 173.61 3h3x n THR 360 N -1.03 0.00 -3.64 4.34 -2.24 -1.26 -5.09 114.28 105.36 3h3x n THR 360 Ca 0.08 0.02 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 3h3x n THR 360 Cb 0.53 -0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 67.85 3h3x n THR 360 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3h3x s LYS 361 N -0.61 0.10 0.06 -0.78 2.47 -1.26 -5.11 119.74 114.61 3h3x s LYS 361 Ca 0.00 0.09 -0.34 0.00 -1.56 0.00 0.00 55.97 54.16 3h3x s LYS 361 Cb 0.00 0.05 -0.13 0.00 -1.46 0.00 0.00 37.83 36.29 3h3x s LYS 361 CO 0.00 -0.02 1.67 -0.11 0.16 0.00 0.00 175.35 177.06 3h3x n LEU 362 N 1.34 3.11 -0.01 5.43 7.94 -1.26 -2.06 117.00 131.48 3h3x n LEU 362 Ca -0.08 1.05 -0.00 0.00 -1.11 0.00 0.00 56.01 55.86 3h3x n LEU 362 Cb 0.57 -1.38 -0.00 0.00 0.53 0.00 0.00 43.42 43.14 3h3x n LEU 362 CO 0.03 -0.26 -0.00 0.47 -1.11 0.00 0.00 177.39 176.52 3h3x n ASP 363 N 4.55 -3.26 -4.52 1.96 8.00 -1.26 -4.97 116.55 117.05 3h3x n ASP 363 Ca 0.19 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.29 3h3x n ASP 363 Cb 0.28 -0.77 -0.07 0.00 -0.02 0.00 0.00 41.12 40.53 3h3x n ASP 363 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3h3x n ASP 364 N 0.07 1.78 0.12 -2.24 2.03 -0.88 -4.81 116.55 112.61 3h3x n ASP 364 Ca -0.00 -0.10 0.08 0.00 0.52 0.00 0.00 54.79 55.28 3h3x n ASP 364 Cb 0.05 -1.34 0.41 0.00 -0.72 0.00 0.00 41.12 39.51 3h3x n ASP 364 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3h3x n LYS 365 N 8.69 0.10 0.02 -0.67 5.02 -1.26 -0.80 118.16 129.25 3h3x n LYS 365 Ca 0.45 0.59 -0.07 0.00 -2.02 0.00 0.00 58.31 57.26 3h3x n LYS 365 Cb 0.34 -1.83 -0.12 0.00 -0.02 0.00 0.00 35.03 33.39 3h3x n LYS 365 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3h3x h ASP 366 N 0.00 0.00 -2.61 4.39 3.32 -1.93 -3.45 116.42 116.14 3h3x h ASP 366 Ca 0.00 0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.63 3h3x h ASP 366 Cb 0.03 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.21 3h3x h ASP 366 CO 0.00 0.96 -0.70 -1.00 -1.72 0.00 0.00 179.24 176.78 3h3x s HIS 367 N -2.67 -0.04 0.00 4.55 3.76 0.02 -4.07 115.29 116.84 3h3x s HIS 367 Ca -0.02 -0.36 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 3h3x s HIS 367 Cb 0.09 -0.63 0.00 0.00 1.11 0.00 0.00 32.58 33.14 3h3x s HIS 367 CO 0.82 -0.75 0.62 2.48 -0.85 0.00 0.00 174.74 177.06 3h3x n TYR 368 N 5.29 0.00 -3.70 1.40 0.18 -0.61 -4.16 117.16 115.55 3h3x n TYR 368 Ca -0.05 -0.14 -0.14 0.00 1.88 0.00 0.00 57.90 59.45 3h3x n TYR 368 Cb 0.46 -0.01 -0.08 0.00 -0.38 0.00 0.00 39.34 39.32 3h3x n TYR 368 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3h3x s SER 369 N -0.28 -0.32 0.25 9.48 0.15 -1.24 -4.16 113.70 117.58 3h3x s SER 369 Ca 0.00 0.30 0.26 0.00 0.70 0.00 0.00 55.95 57.21 3h3x s SER 369 Cb 0.00 0.41 0.82 0.00 -1.71 0.00 0.00 66.02 65.54 3h3x s SER 369 CO 0.00 -0.46 1.76 -0.50 1.20 0.00 0.00 173.24 175.23 3h3x h TRP 370 N 3.79 0.00 -3.65 3.44 4.06 -1.83 0.20 115.95 121.95 3h3x h TRP 370 Ca -0.29 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.16 3h3x h TRP 370 Cb 1.17 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.32 3h3x h TRP 370 CO 0.48 0.00 0.41 -1.64 -3.56 0.00 0.00 178.44 174.13 3h3x s MET 371 N -3.17 4.71 1.06 0.49 -1.94 -1.26 -4.80 119.30 114.38 3h3x s MET 371 Ca 0.09 1.59 -0.14 0.00 -1.71 0.00 0.00 55.69 55.52 3h3x s MET 371 Cb 0.11 -3.29 0.22 0.00 2.01 0.00 0.00 34.83 33.88 3h3x s MET 371 CO 0.56 0.26 1.09 0.15 -0.01 0.00 0.00 175.02 177.07 3h3x s LYS 372 N -0.66 -0.07 -0.45 2.03 1.02 -1.26 -4.46 119.74 115.88 3h3x s LYS 372 Ca 0.46 0.40 -0.02 0.00 0.02 0.00 0.00 55.97 56.83 3h3x s LYS 372 Cb -0.27 -1.69 0.12 0.00 -0.52 0.00 0.00 37.83 35.47 3h3x s LYS 372 CO 0.34 -3.04 0.25 0.00 -0.92 0.00 0.00 175.35 171.97 3h3x s ALA 373 N -2.93 3.24 0.09 5.17 0.00 0.30 -4.34 121.76 123.29 3h3x s ALA 373 Ca 0.67 -2.73 -0.30 0.00 0.00 0.00 0.00 51.96 49.60 3h3x s ALA 373 Cb -0.18 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.47 3h3x s ALA 373 CO 0.58 -1.87 1.03 -2.14 0.00 0.00 0.00 175.76 173.36 3h3x s PRO 374 N 0.80 4.60 0.07 0.00 0.02 -1.26 -0.67 135.00 138.56 3h3x s PRO 374 Ca 0.11 1.54 0.03 0.00 0.02 0.00 0.00 61.00 62.70 3h3x s PRO 374 Cb -0.22 -3.37 -0.03 0.00 0.02 0.00 0.00 34.50 30.90 3h3x s PRO 374 CO -0.04 0.05 -0.10 1.03 -0.33 0.00 0.00 177.00 177.61 3h3x s ARG 375 N 0.32 0.72 -0.22 5.54 1.81 0.37 -4.64 118.95 122.86 3h3x s ARG 375 Ca 0.50 -0.98 0.01 0.00 -1.72 0.00 0.00 55.73 53.54 3h3x s ARG 375 Cb -0.25 -0.48 0.05 0.00 -0.45 0.00 0.00 34.95 33.82 3h3x s ARG 375 CO 0.30 0.08 -0.09 -0.47 -0.68 0.00 0.00 175.30 174.45 3h3x s TYR 376 N -1.89 2.50 -1.50 -0.53 5.04 0.11 -1.57 117.35 119.52 3h3x s TYR 376 Ca -0.01 -1.73 -0.05 0.00 -2.44 0.00 0.00 57.07 52.84 3h3x s TYR 376 Cb -0.06 -1.65 0.04 0.00 0.35 0.00 0.00 41.96 40.64 3h3x s TYR 376 CO 0.00 -0.77 0.51 1.63 -1.34 0.00 0.00 175.55 175.58 3h3x n LYS 377 N 4.65 -3.20 -0.96 4.97 5.02 -1.02 -1.43 118.16 126.20 3h3x n LYS 377 Ca -0.14 0.38 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3h3x n LYS 377 Cb 0.45 -4.65 0.00 0.00 -0.02 0.00 0.00 35.03 30.81 3h3x n LYS 377 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h3x n GLY 378 N -1.86 0.56 3.36 0.72 0.00 -1.26 -5.01 105.19 101.70 3h3x n GLY 378 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 3h3x n GLY 378 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3h3x s LYS 379 N -0.33 2.02 0.34 1.61 1.02 -0.51 -5.06 119.74 118.82 3h3x s LYS 379 Ca 0.00 -0.99 -0.25 0.00 0.02 0.00 0.00 55.97 54.75 3h3x s LYS 379 Cb 0.00 -2.07 -0.10 0.00 -0.52 0.00 0.00 37.83 35.14 3h3x s LYS 379 CO 0.00 0.54 0.95 0.00 -0.92 0.00 0.00 175.35 175.93 3h3x s ALA 380 N -0.75 3.19 -0.07 5.17 0.00 -1.26 0.08 121.76 128.12 3h3x s ALA 380 Ca 0.12 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.62 3h3x s ALA 380 Cb -0.10 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.84 3h3x s ALA 380 CO 0.01 0.14 -0.12 -1.64 0.00 0.00 0.00 175.76 174.15 3h3x s MET 381 N -2.18 1.69 0.14 0.00 1.00 -1.26 -4.66 119.30 114.02 3h3x s MET 381 Ca 0.52 -0.40 -0.30 0.00 0.00 0.00 0.00 55.69 55.51 3h3x s MET 381 Cb -0.18 -1.43 -0.07 0.00 0.00 0.00 0.00 34.83 33.16 3h3x s MET 381 CO 0.23 -0.00 1.00 -2.00 0.00 0.00 0.00 175.02 174.25 3h3x s GLU 382 N 0.76 4.68 0.32 2.03 2.12 0.47 -4.38 118.70 124.71 3h3x s GLU 382 Ca -0.13 1.53 0.08 0.00 0.36 0.00 0.00 54.97 56.81 3h3x s GLU 382 Cb -0.15 -3.34 -0.06 0.00 0.26 0.00 0.00 34.13 30.83 3h3x s GLU 382 CO 0.03 0.20 -0.07 0.14 -0.54 0.00 0.00 175.26 175.01 3h3x s VAL 383 N -0.14 1.98 -0.91 3.70 -7.23 -1.26 -1.68 120.40 114.86 3h3x s VAL 383 Ca 0.47 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.48 3h3x s VAL 383 Cb -0.25 -2.58 0.00 0.00 0.56 0.00 0.00 36.38 34.11 3h3x s VAL 383 CO 0.31 -0.23 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 3h3x n GLY 384 N -0.71 0.36 0.36 2.32 0.00 -1.15 -4.69 105.19 101.68 3h3x n GLY 384 Ca -0.05 -2.24 0.06 0.00 0.00 0.00 0.00 46.02 43.79 3h3x n GLY 384 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3h3x h PRO 385 N 8.81 0.83 -0.49 1.61 0.11 -1.81 -0.26 132.00 140.81 3h3x h PRO 385 Ca 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3h3x h PRO 385 Cb 0.00 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 3h3x h PRO 385 CO 0.00 0.55 0.22 1.25 -0.21 0.00 0.00 178.00 179.81 3h3x h LEU 386 N 0.86 0.65 -0.16 2.35 5.85 -1.87 -0.78 115.31 122.21 3h3x h LEU 386 Ca 0.36 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 3h3x h LEU 386 Cb 0.30 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3h3x h LEU 386 CO -0.14 0.61 0.09 0.00 -0.34 0.00 0.00 178.44 178.66 3h3x h ALA 387 N 1.07 0.21 -0.79 1.25 0.00 -1.60 -1.02 119.26 118.38 3h3x h ALA 387 Ca 0.17 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3h3x h ALA 387 Cb 0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3h3x h ALA 387 CO -0.02 -0.26 0.51 0.00 0.00 0.00 0.00 179.25 179.48 3h3x h ARG 388 N 0.16 0.96 0.30 0.00 3.08 -1.01 -1.58 114.38 116.29 3h3x h ARG 388 Ca 0.06 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 3h3x h ARG 388 Cb 0.08 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.91 3h3x h ARG 388 CO -0.01 0.64 -0.15 1.15 -1.07 0.00 0.00 179.97 180.53 3h3x h THR 389 N 0.99 0.72 -0.67 2.04 2.02 -0.82 0.89 112.91 118.08 3h3x h THR 389 Ca 0.31 -0.43 0.05 0.00 0.77 0.00 0.00 66.41 67.11 3h3x h THR 389 Cb -0.00 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 67.31 3h3x h THR 389 CO -0.11 0.09 0.38 -0.26 0.37 0.00 0.00 175.52 176.00 3h3x h PHE 390 N -0.65 0.71 -0.28 3.16 0.04 -1.13 0.28 116.94 119.07 3h3x h PHE 390 Ca -0.04 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 3h3x h PHE 390 Cb 0.46 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 3h3x h PHE 390 CO 0.00 0.35 0.07 0.82 -0.60 0.00 0.00 178.31 178.95 3h3x h ILE 391 N 0.72 1.22 -0.39 -0.55 2.04 -1.21 0.20 117.51 119.53 3h3x h ILE 391 Ca 0.29 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 3h3x h ILE 391 Cb 0.15 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 3h3x h ILE 391 CO -0.17 0.24 0.04 0.00 0.00 0.00 0.00 178.15 178.26 3h3x h ALA 392 N 0.90 0.52 -0.03 1.87 0.00 -0.54 -1.53 119.26 120.45 3h3x h ALA 392 Ca 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h3x h ALA 392 Cb 0.29 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3h3x h ALA 392 CO 0.00 0.25 0.01 -0.92 0.00 0.00 0.00 179.25 178.59 3h3x h TYR 393 N 0.49 0.04 -0.98 0.00 3.20 -0.36 -0.51 116.97 118.85 3h3x h TYR 393 Ca 0.12 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.11 3h3x h TYR 393 Cb 0.40 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.57 3h3x h TYR 393 CO 0.03 0.11 0.62 0.00 -1.64 0.00 0.00 178.16 177.28 3h3x h ALA 394 N 0.93 1.58 -0.00 1.82 0.00 -0.52 -0.02 119.26 123.05 3h3x h ALA 394 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h3x h ALA 394 Cb 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3h3x h ALA 394 CO -0.00 0.18 -0.06 1.63 0.00 0.00 0.00 179.25 180.99 3h3x n LYS 395 N -4.60 0.23 -1.99 0.00 5.02 -0.58 -4.93 118.16 111.30 3h3x n LYS 395 Ca 0.18 -0.03 -0.05 0.00 -2.02 0.00 0.00 58.31 56.39 3h3x n LYS 395 Cb 0.37 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.88 3h3x n LYS 395 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h3x n GLY 396 N 1.40 0.23 3.59 0.72 0.00 -0.02 -4.98 105.19 106.13 3h3x n GLY 396 Ca 0.10 -0.70 -0.47 0.00 0.00 0.00 0.00 46.02 44.96 3h3x n GLY 396 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3h3x n GLN 397 N -1.64 1.83 -0.24 1.61 0.00 -0.34 -4.86 117.38 113.73 3h3x n GLN 397 Ca -0.06 0.58 0.12 0.00 -0.00 0.00 0.00 57.00 57.64 3h3x n GLN 397 Cb 0.50 -2.80 0.40 0.00 0.00 0.00 0.00 30.24 28.34 3h3x n GLN 397 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 3h3x h PRO 398 N 12.10 0.63 -0.14 3.69 0.11 -1.93 -1.19 132.00 145.27 3h3x h PRO 398 Ca -0.40 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 3h3x h PRO 398 Cb 1.27 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3h3x h PRO 398 CO 0.97 0.42 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.63 3h3x h ASP 399 N 0.65 0.34 -0.39 -2.05 3.32 -1.98 -2.14 116.42 114.17 3h3x h ASP 399 Ca 0.42 -0.46 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3h3x h ASP 399 Cb 0.69 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.13 3h3x h ASP 399 CO -0.18 0.73 0.22 -0.26 -1.72 0.00 0.00 179.24 178.03 3h3x h PHE 400 N -0.05 0.54 -0.73 4.55 -1.00 -1.82 -2.10 116.94 116.33 3h3x h PHE 400 Ca 0.02 -0.01 0.14 0.00 2.81 0.00 0.00 57.97 60.93 3h3x h PHE 400 Cb 0.62 -0.17 -0.09 0.00 3.61 0.00 0.00 35.95 39.92 3h3x h PHE 400 CO 0.08 0.41 0.28 -0.22 -1.61 0.00 0.00 178.31 177.25 3h3x h LYS 401 N 0.51 0.41 0.55 1.51 3.64 -1.23 -1.02 116.57 120.94 3h3x h LYS 401 Ca 0.14 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3h3x h LYS 401 Cb 0.05 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 31.78 3h3x h LYS 401 CO -0.02 0.27 -0.27 -0.22 -2.27 0.00 0.00 179.45 176.94 3h3x h LYS 402 N 0.42 -0.72 -0.50 1.90 3.64 -1.15 -2.85 116.57 117.32 3h3x h LYS 402 Ca 0.40 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.80 3h3x h LYS 402 Cb 0.59 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3h3x h LYS 402 CO -0.40 -0.44 0.20 0.28 -2.27 0.00 0.00 179.45 176.83 3h3x h VAL 403 N -1.14 1.18 -0.54 2.00 2.07 -1.32 0.84 116.25 119.33 3h3x h VAL 403 Ca -0.08 -0.56 -0.04 0.00 0.82 0.00 0.00 66.70 66.84 3h3x h VAL 403 Cb 0.61 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.94 3h3x h VAL 403 CO 0.13 0.22 0.17 0.58 0.02 0.00 0.00 177.57 178.69 3h3x h VAL 404 N 0.71 1.23 -0.07 2.57 2.07 -1.28 -0.14 116.25 121.35 3h3x h VAL 404 Ca 0.17 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 3h3x h VAL 404 Cb 0.13 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3h3x h VAL 404 CO -0.02 0.29 -0.38 0.44 0.02 0.00 0.00 177.57 177.93 3h3x h ASP 405 N 0.75 0.14 0.06 0.57 3.32 -1.22 1.03 116.42 121.08 3h3x h ASP 405 Ca 0.17 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3h3x h ASP 405 Cb 0.28 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3h3x h ASP 405 CO -0.01 0.52 -0.03 -0.03 -1.72 0.00 0.00 179.24 177.97 3h3x h MET 406 N 0.12 -0.08 0.05 3.56 1.85 -0.09 -0.05 114.93 120.30 3h3x h MET 406 Ca 0.01 0.01 -0.00 0.00 -0.61 0.00 0.00 59.70 59.11 3h3x h MET 406 Cb 0.73 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.78 3h3x h MET 406 CO 0.05 0.10 -0.02 0.28 -0.40 0.00 0.00 176.91 176.92 3h3x h VAL 407 N -0.24 1.12 -0.61 -5.77 2.07 -0.74 0.11 116.25 112.18 3h3x h VAL 407 Ca -0.01 -0.53 0.12 0.00 0.82 0.00 0.00 66.70 67.09 3h3x h VAL 407 Cb 0.21 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.42 3h3x h VAL 407 CO 0.01 0.14 0.41 -0.07 0.02 0.00 0.00 177.57 178.08 3h3x h LEU 408 N -0.30 0.30 0.27 2.57 3.38 0.11 0.93 115.31 122.56 3h3x h LEU 408 Ca -0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h3x h LEU 408 Cb 0.27 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3h3x h LEU 408 CO 0.01 0.17 -0.13 1.23 0.09 0.00 0.00 178.44 179.81 3h3x h GLY 409 N 0.32 -0.38 1.72 0.83 0.00 -0.49 -1.14 103.07 103.93 3h3x h GLY 409 Ca 0.29 0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.65 3h3x h GLY 409 CO -0.07 -0.14 -0.36 0.50 0.00 0.00 0.00 176.54 176.47 3h3x h LYS 410 N -0.64 0.31 0.00 4.80 1.79 -0.24 -2.77 116.57 119.82 3h3x h LYS 410 Ca -0.04 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 3h3x h LYS 410 Cb 0.45 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3h3x h LYS 410 CO 0.06 0.64 -0.15 -0.07 -1.08 0.00 0.00 179.45 178.85 3h3x h LEU 411 N 0.27 0.00 -1.86 2.94 3.38 -0.92 -3.48 115.31 115.64 3h3x h LEU 411 Ca 0.03 -0.04 -0.45 0.00 0.09 0.00 0.00 57.88 57.52 3h3x h LEU 411 Cb 0.76 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.53 3h3x h LEU 411 CO 0.06 0.02 -0.85 -1.20 0.09 0.00 0.00 178.44 176.56 3h3x n SER 412 N -2.42 -0.95 -4.29 -0.43 7.64 -0.47 -5.02 113.62 107.69 3h3x n SER 412 Ca 0.05 -0.89 -0.21 0.00 1.01 0.00 0.00 58.87 58.83 3h3x n SER 412 Cb 0.46 -3.70 -0.11 0.00 -1.01 0.00 0.00 64.21 59.84 3h3x n SER 412 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3h3x s VAL 413 N -3.77 1.60 0.65 0.44 -7.23 -1.01 -5.07 120.40 106.02 3h3x s VAL 413 Ca 0.01 -1.75 -0.14 0.00 -1.81 0.00 0.00 61.98 58.30 3h3x s VAL 413 Cb -0.00 -1.65 -0.01 0.00 0.56 0.00 0.00 36.38 35.28 3h3x s VAL 413 CO 0.84 -0.30 1.07 -2.16 -0.31 0.00 0.00 175.10 174.24 3h3x s PRO 414 N -2.53 3.01 0.40 4.82 0.04 -1.26 -4.73 135.00 134.74 3h3x s PRO 414 Ca 0.11 1.16 0.19 0.00 0.04 0.00 0.00 61.00 62.50 3h3x s PRO 414 Cb -0.06 -1.99 1.13 0.00 0.04 0.00 0.00 34.50 33.62 3h3x s PRO 414 CO 0.05 -1.06 1.75 0.00 0.04 0.00 0.00 177.00 177.78 3h3x h ALA 415 N -0.12 2.27 0.00 8.56 0.00 -1.98 -0.02 119.26 127.96 3h3x h ALA 415 Ca -0.46 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3h3x h ALA 415 Cb 1.22 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3h3x h ALA 415 CO 0.56 -0.70 0.00 1.79 0.00 0.00 0.00 179.25 180.90 3h3x h THR 416 N 0.36 0.00 -0.00 0.00 1.35 -2.00 -0.62 112.91 112.00 3h3x h THR 416 Ca 0.62 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.39 3h3x h THR 416 Cb 1.61 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3h3x h THR 416 CO -0.32 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 174.94 3h3x n ALA 417 N -1.94 2.60 0.50 6.62 0.00 -0.02 -2.61 120.51 125.65 3h3x n ALA 417 Ca -0.01 -0.19 0.13 0.00 0.00 0.00 0.00 53.44 53.37 3h3x n ALA 417 Cb 0.10 -1.48 0.43 0.00 0.00 0.00 0.00 19.45 18.51 3h3x n ALA 417 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3h3x h LEU 418 N 0.12 0.00 -6.38 0.00 3.38 -1.26 -3.37 115.31 107.80 3h3x h LEU 418 Ca 0.00 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.25 3h3x h LEU 418 Cb 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.86 3h3x h LEU 418 CO 0.00 0.00 2.74 1.41 0.09 0.00 0.00 178.44 182.68 3h3x n HIS 419 N -2.37 3.61 -3.67 1.13 8.25 -1.08 -4.01 115.22 117.08 3h3x n HIS 419 Ca 0.04 -2.94 -0.01 0.00 -0.26 0.00 0.00 57.72 54.55 3h3x n HIS 419 Cb 0.37 -2.44 -0.01 0.00 1.12 0.00 0.00 29.99 29.04 3h3x n HIS 419 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3h3x s SER 420 N 2.85 -0.13 0.25 0.41 1.04 -1.26 -3.60 113.70 113.26 3h3x s SER 420 Ca 0.46 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.62 3h3x s SER 420 Cb 0.11 0.32 0.30 0.00 0.10 0.00 0.00 66.02 66.85 3h3x s SER 420 CO -0.05 -0.58 1.78 0.74 0.98 0.00 0.00 173.24 176.12 3h3x h THR 421 N 2.00 1.24 -0.72 2.02 2.02 -0.44 0.61 112.91 119.64 3h3x h THR 421 Ca -0.26 -0.89 -0.05 0.00 0.77 0.00 0.00 66.41 65.98 3h3x h THR 421 Cb 1.22 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3h3x h THR 421 CO 0.27 0.33 0.25 0.25 0.37 0.00 0.00 175.52 177.00 3h3x h LEU 422 N 0.90 1.02 -0.03 2.58 5.85 -1.71 -2.21 115.31 121.70 3h3x h LEU 422 Ca 0.19 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h3x h LEU 422 Cb 0.33 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 3h3x h LEU 422 CO 0.00 0.94 0.01 1.23 -0.34 0.00 0.00 178.44 180.28 3h3x h GLY 423 N 1.04 0.06 0.28 3.75 0.00 -1.64 -0.86 103.07 105.71 3h3x h GLY 423 Ca 0.24 -0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.67 3h3x h GLY 423 CO -0.01 0.03 0.46 -0.09 0.00 0.00 0.00 176.54 176.93 3h3x h ARG 424 N -0.15 0.65 -0.24 4.80 2.43 -0.85 0.42 114.38 121.44 3h3x h ARG 424 Ca 0.01 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.97 3h3x h ARG 424 Cb 0.22 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3h3x h ARG 424 CO -0.00 0.43 -0.52 1.15 -1.51 0.00 0.00 179.97 179.52 3h3x h THR 425 N 0.67 1.30 -0.50 0.20 2.02 -1.21 -3.04 112.91 112.34 3h3x h THR 425 Ca 0.46 -1.73 -0.13 0.00 0.77 0.00 0.00 66.41 65.79 3h3x h THR 425 Cb 0.61 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 3h3x h THR 425 CO -0.34 0.55 -0.18 0.00 0.37 0.00 0.00 175.52 175.92 3h3x h ALA 426 N 0.63 0.70 -0.86 6.16 0.00 -0.28 -3.14 119.26 122.47 3h3x h ALA 426 Ca 0.00 -0.38 0.07 0.00 0.00 0.00 0.00 54.91 54.60 3h3x h ALA 426 Cb 1.13 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 3h3x h ALA 426 CO 0.11 0.67 0.53 0.00 0.00 0.00 0.00 179.25 180.57 3h3x h ALA 427 N 0.89 1.20 -0.89 0.00 0.00 -0.18 0.67 119.26 120.95 3h3x h ALA 427 Ca 0.12 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3h3x h ALA 427 Cb 0.76 -0.22 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 3h3x h ALA 427 CO 0.06 0.26 0.53 -0.09 0.00 0.00 0.00 179.25 180.01 3h3x h ARG 428 N 0.96 0.84 -0.03 0.00 2.43 -1.48 -0.84 114.38 116.27 3h3x h ARG 428 Ca 0.38 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.31 3h3x h ARG 428 Cb 0.20 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3h3x h ARG 428 CO -0.18 0.56 -0.73 0.78 -1.51 0.00 0.00 179.97 178.89 3h3x h GLY 429 N 0.87 0.60 -0.13 2.80 0.00 -1.16 -2.73 103.07 103.32 3h3x h GLY 429 Ca 0.43 -1.00 0.06 0.00 0.00 0.00 0.00 47.33 46.82 3h3x h GLY 429 CO -0.25 0.88 -0.39 -2.22 0.00 0.00 0.00 176.54 174.56 3h3x h ILE 430 N 0.11 0.16 0.00 2.60 2.04 -0.58 -1.34 117.51 120.50 3h3x h ILE 430 Ca -0.08 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 3h3x h ILE 430 Cb 1.41 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.64 3h3x h ILE 430 CO 0.14 0.00 -0.33 1.05 0.00 0.00 0.00 178.15 179.02 3h3x h GLU 431 N -0.37 0.00 -0.61 2.37 4.11 -1.19 -2.19 114.58 116.70 3h3x h GLU 431 Ca 0.12 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.51 3h3x h GLU 431 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.81 3h3x h GLU 431 CO -0.49 0.33 0.21 1.15 0.07 0.00 0.00 179.01 180.28 3h3x h THR 432 N 0.00 1.24 -0.53 -1.06 2.02 -1.11 -1.27 112.91 112.20 3h3x h THR 432 Ca -0.00 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 3h3x h THR 432 Cb 0.64 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3h3x h THR 432 CO 0.04 0.30 0.30 0.00 0.37 0.00 0.00 175.52 176.53 3h3x h ALA 433 N 1.08 1.54 0.05 6.16 0.00 -0.65 -1.75 119.26 125.69 3h3x h ALA 433 Ca 0.20 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.80 3h3x h ALA 433 Cb 0.25 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3h3x h ALA 433 CO -0.01 0.39 -1.09 0.82 0.00 0.00 0.00 179.25 179.36 3h3x h ILE 434 N 0.72 1.63 0.06 0.00 2.04 -1.15 -1.73 117.51 119.09 3h3x h ILE 434 Ca 0.19 -3.28 -0.00 0.00 1.00 0.00 0.00 64.86 62.77 3h3x h ILE 434 Cb -0.00 2.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 3h3x h ILE 434 CO -0.03 0.94 -0.03 0.58 0.00 0.00 0.00 178.15 179.61 3h3x h VAL 435 N 0.03 1.10 -0.82 1.67 2.07 -1.06 -2.80 116.25 116.44 3h3x h VAL 435 Ca -0.06 -0.56 0.18 0.00 0.82 0.00 0.00 66.70 67.08 3h3x h VAL 435 Cb 1.84 1.47 -0.11 0.00 -1.52 0.00 0.00 31.29 32.97 3h3x h VAL 435 CO 0.16 0.14 0.32 0.00 0.02 0.00 0.00 177.57 178.21 3h3x h ALA 437 N 1.63 1.00 -0.01 0.00 0.00 -1.21 -3.13 119.26 117.55 3h3x h ALA 437 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3h3x h ALA 437 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3h3x h ALA 437 CO -0.48 0.00 -0.58 0.09 0.00 0.00 0.00 179.25 178.27 3h3x n ASN 438 N -2.80 1.38 0.05 0.00 3.02 0.04 -4.68 115.26 112.27 3h3x n ASN 438 Ca -0.00 -1.19 -0.11 0.00 -0.03 0.00 0.00 54.58 53.25 3h3x n ASN 438 Cb 0.20 0.70 -0.05 0.00 -0.61 0.00 0.00 39.78 40.02 3h3x n ASN 438 CO 0.00 0.00 0.00 0.24 -2.62 0.00 0.00 177.26 174.88 3h3x h MET 439 N 1.17 -0.19 -0.69 3.52 2.86 -1.33 -1.50 114.93 118.77 3h3x h MET 439 Ca 0.00 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.64 3h3x h MET 439 Cb 0.54 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.21 3h3x h MET 439 CO 0.00 -0.12 0.39 1.49 1.06 0.00 0.00 176.91 179.72 3h3x h GLU 440 N -0.19 0.96 0.08 1.72 4.81 -1.83 0.29 114.58 120.40 3h3x h GLU 440 Ca 0.04 -0.11 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3h3x h GLU 440 Cb 0.25 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3h3x h GLU 440 CO -0.12 0.71 -0.24 -0.22 -0.73 0.00 0.00 179.01 178.42 3h3x h LYS 441 N 0.94 -0.40 -0.47 1.92 3.64 -1.80 -0.99 116.57 119.42 3h3x h LYS 441 Ca 0.24 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3h3x h LYS 441 Cb 0.02 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3h3x h LYS 441 CO -0.04 -0.27 0.29 -1.49 -2.27 0.00 0.00 179.45 175.67 3h3x h TRP 442 N -0.41 0.62 -0.56 1.91 6.55 -0.80 -1.68 115.95 121.56 3h3x h TRP 442 Ca 0.04 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.87 3h3x h TRP 442 Cb 0.46 -0.20 -0.03 0.00 -0.86 0.00 0.00 29.16 28.53 3h3x h TRP 442 CO -0.24 0.42 0.31 0.82 -1.05 0.00 0.00 178.44 178.71 3h3x h ILE 443 N 0.63 1.18 -0.23 1.49 2.04 -0.27 -2.50 117.51 119.85 3h3x h ILE 443 Ca 0.17 -0.46 -0.06 0.00 1.00 0.00 0.00 64.86 65.51 3h3x h ILE 443 Cb -0.02 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3h3x h ILE 443 CO -0.03 0.20 -0.12 0.50 0.00 0.00 0.00 178.15 178.70 3h3x h LYS 444 N 0.76 0.37 -0.27 2.37 3.64 -1.04 -0.60 116.57 121.80 3h3x h LYS 444 Ca 0.20 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3h3x h LYS 444 Cb 0.04 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3h3x h LYS 444 CO -0.03 0.49 0.15 1.49 -2.27 0.00 0.00 179.45 179.28 3h3x h GLU 445 N 0.35 0.30 -0.02 1.90 4.81 -0.94 -1.80 114.58 119.18 3h3x h GLU 445 Ca 0.07 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.18 3h3x h GLU 445 Cb 0.42 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.74 3h3x h GLU 445 CO 0.02 0.20 -0.37 1.98 -0.73 0.00 0.00 179.01 180.11 3h3x h MET 446 N 0.31 0.28 -0.45 1.92 4.05 -1.13 -1.89 114.93 118.01 3h3x h MET 446 Ca 0.11 -0.28 0.13 0.00 -0.28 0.00 0.00 59.70 59.38 3h3x h MET 446 Cb 0.01 0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 3h3x h MET 446 CO -0.06 0.97 0.51 0.00 0.23 0.00 0.00 176.91 178.56 3h3x h ALA 447 N 0.31 2.16 0.00 0.39 0.00 -1.17 0.69 119.26 121.64 3h3x h ALA 447 Ca -0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3h3x h ALA 447 Cb 1.09 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 3h3x h ALA 447 CO 0.07 -0.74 -0.17 -0.44 0.00 0.00 0.00 179.25 177.97 3h3x h ASP 448 N 0.00 0.00 0.59 0.00 3.32 -1.11 -3.04 116.42 116.17 3h3x h ASP 448 Ca 0.21 -0.24 -0.11 0.00 0.02 0.00 0.00 57.03 56.91 3h3x h ASP 448 Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 3h3x h ASP 448 CO -0.00 0.71 -0.54 -1.28 -1.72 0.00 0.00 179.24 176.41 3h3x h SER 449 N -1.00 0.00 -0.23 6.45 0.87 -1.22 -2.64 113.55 115.77 3h3x h SER 449 Ca -0.02 0.00 0.06 0.00 -1.23 0.00 0.00 61.79 60.59 3h3x h SER 449 Cb 0.38 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.27 3h3x h SER 449 CO -0.01 0.54 -0.39 1.23 -0.53 0.00 0.00 176.83 177.67 3h3x h GLY 450 N 1.72 -0.56 1.01 5.77 0.00 0.24 -2.33 103.07 108.92 3h3x h GLY 450 Ca -0.01 0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.82 3h3x h GLY 450 CO 0.07 -0.21 0.50 0.00 0.00 0.00 0.00 176.54 176.90 3h3x h ALA 451 N 0.33 0.97 -0.33 3.60 0.00 -1.39 -3.27 119.26 119.17 3h3x h ALA 451 Ca 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3h3x h ALA 451 Cb 0.59 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3h3x h ALA 451 CO -0.45 0.39 0.13 -0.22 0.00 0.00 0.00 179.25 179.10 3h3x h LYS 452 N 1.03 0.50 -2.26 0.00 3.64 -1.33 -3.44 116.57 114.71 3h3x h LYS 452 Ca 0.28 -0.09 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3h3x h LYS 452 Cb -0.11 -0.08 -0.23 0.00 -0.41 0.00 0.00 32.23 31.40 3h3x h LYS 452 CO -0.06 0.49 -0.08 0.34 -2.27 0.00 0.00 179.45 177.88 3h3x s ASP 453 N -5.77 -0.74 -0.60 4.20 2.15 -0.89 -5.07 116.67 109.95 3h3x s ASP 453 Ca -0.13 1.26 -0.00 0.00 0.43 0.00 0.00 52.55 54.10 3h3x s ASP 453 Cb 0.09 1.17 0.51 0.00 -0.30 0.00 0.00 42.92 44.39 3h3x s ASP 453 CO 0.74 -0.22 1.99 -0.46 -0.17 0.00 0.00 175.17 177.05 3h3x n ASN 454 N 3.87 6.57 -4.69 -0.34 2.04 -1.25 -4.42 115.26 117.04 3h3x n ASN 454 Ca -0.19 -3.74 -0.42 0.00 -0.44 0.00 0.00 54.58 49.78 3h3x n ASN 454 Cb 0.57 -0.93 -0.03 0.00 -2.53 0.00 0.00 39.78 36.86 3h3x n ASN 454 CO 0.00 0.00 0.00 -0.89 -0.44 0.00 0.00 177.26 175.93 3h3x s THR 455 N -4.41 3.90 0.00 5.53 2.01 -1.26 -4.88 115.64 116.53 3h3x s THR 455 Ca 0.62 1.26 0.00 0.00 0.31 0.00 0.00 61.69 63.89 3h3x s THR 455 Cb 0.50 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3h3x s THR 455 CO 0.02 -0.00 0.00 -0.11 -0.69 0.00 0.00 174.62 173.84 3h3x n LEU 456 N 5.30 0.00 -3.80 4.42 7.94 -1.26 -4.35 117.00 125.24 3h3x n LEU 456 Ca 0.12 -0.05 -0.16 0.00 -1.11 0.00 0.00 56.01 54.81 3h3x n LEU 456 Cb 0.45 0.00 -0.16 0.00 0.53 0.00 0.00 43.42 44.24 3h3x n LEU 456 CO 0.57 0.00 -0.36 0.00 -1.11 0.00 0.00 177.39 176.49 3h3x s ALA 458 N 0.98 3.63 0.37 0.00 0.00 0.20 -4.94 121.76 122.00 3h3x s ALA 458 Ca -0.09 -0.57 -0.24 0.00 0.00 0.00 0.00 51.96 51.06 3h3x s ALA 458 Cb -0.13 -2.29 -0.10 0.00 0.00 0.00 0.00 23.12 20.60 3h3x s ALA 458 CO -0.02 0.24 0.94 0.15 0.00 0.00 0.00 175.76 177.07 3h3x s LYS 459 N -3.56 4.43 0.14 0.00 1.02 -1.26 -4.64 119.74 115.85 3h3x s LYS 459 Ca 0.44 1.23 -0.11 0.00 0.02 0.00 0.00 55.97 57.54 3h3x s LYS 459 Cb -0.11 -2.53 0.01 0.00 -0.52 0.00 0.00 37.83 34.68 3h3x s LYS 459 CO 0.30 0.15 0.31 1.67 -0.92 0.00 0.00 175.35 176.85 3h3x s TRP 460 N -1.86 0.14 -0.01 3.18 1.48 -1.26 -4.94 118.94 115.67 3h3x s TRP 460 Ca 0.55 -0.51 0.04 0.00 -1.06 0.00 0.00 56.10 55.12 3h3x s TRP 460 Cb -0.14 0.06 -0.01 0.00 -1.16 0.00 0.00 33.47 32.22 3h3x s TRP 460 CO 0.19 -0.69 -0.13 -2.00 -4.06 0.00 0.00 176.95 170.26 3h3x s GLU 461 N -3.89 1.09 -0.15 3.25 2.56 -1.26 -5.11 118.70 115.19 3h3x s GLU 461 Ca 0.10 -0.47 -0.29 0.00 0.00 0.00 0.00 54.97 54.30 3h3x s GLU 461 Cb 0.03 -1.05 -0.03 0.00 2.00 0.00 0.00 34.13 35.08 3h3x s GLU 461 CO -0.06 0.28 1.44 1.41 -0.56 0.00 0.00 175.26 177.77 3h3x s MET 462 N -0.29 4.11 0.46 4.30 -2.45 -1.26 -4.85 119.30 119.33 3h3x s MET 462 Ca 0.05 1.78 -0.19 0.00 -1.25 0.00 0.00 55.69 56.08 3h3x s MET 462 Cb -0.05 -3.89 -0.09 0.00 1.25 0.00 0.00 34.83 32.04 3h3x s MET 462 CO -0.00 -0.89 0.95 -1.25 1.05 0.00 0.00 175.02 174.88 3h3x s PRO 463 N 3.93 4.09 0.34 4.11 0.04 -1.26 -4.95 135.00 141.30 3h3x s PRO 463 Ca 0.63 1.02 0.04 0.00 0.04 0.00 0.00 61.00 62.73 3h3x s PRO 463 Cb -0.25 -2.17 0.66 0.00 0.04 0.00 0.00 34.50 32.78 3h3x s PRO 463 CO 0.22 -0.13 1.96 0.93 0.04 0.00 0.00 177.00 180.02 3h3x h GLU 464 N 1.47 0.83 -2.30 4.56 4.39 -1.95 -3.36 114.58 118.22 3h3x h GLU 464 Ca -0.48 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.14 3h3x h GLU 464 Cb 1.18 -0.19 -0.24 0.00 -0.10 0.00 0.00 28.75 29.41 3h3x h GLU 464 CO 0.61 0.55 -0.21 -2.00 -1.16 0.00 0.00 179.01 176.80 3h3x s GLU 465 N -5.75 0.48 0.20 2.33 2.12 -1.26 -0.29 118.70 116.54 3h3x s GLU 465 Ca -0.10 1.13 -0.22 0.00 0.36 0.00 0.00 54.97 56.14 3h3x s GLU 465 Cb 0.19 0.36 0.07 0.00 0.26 0.00 0.00 34.13 35.01 3h3x s GLU 465 CO 0.78 -0.20 1.01 0.45 -0.54 0.00 0.00 175.26 176.76 3h3x s SER 466 N 2.22 -0.01 0.06 -1.70 0.15 -0.84 -4.99 113.70 108.60 3h3x s SER 466 Ca -0.06 -0.71 -0.00 0.00 0.70 0.00 0.00 55.95 55.88 3h3x s SER 466 Cb -0.10 0.53 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 3h3x s SER 466 CO -0.16 -1.06 -0.04 -1.59 1.20 0.00 0.00 173.24 171.59 3h3x s LYS 467 N -2.24 0.67 0.04 5.44 -2.85 -1.26 -0.43 119.74 119.11 3h3x s LYS 467 Ca 0.21 -1.23 -0.22 0.00 -1.00 0.00 0.00 55.97 53.73 3h3x s LYS 467 Cb -0.03 0.07 0.05 0.00 -2.06 0.00 0.00 37.83 35.87 3h3x s LYS 467 CO 0.06 -0.08 0.51 0.20 0.10 0.00 0.00 175.35 176.14 3h3x s GLY 468 N -2.90 -0.41 -0.06 0.59 0.00 -0.60 -4.05 107.32 99.91 3h3x s GLY 468 Ca 0.08 0.58 0.04 0.00 0.00 0.00 0.00 44.72 45.41 3h3x s GLY 468 CO -0.08 0.28 -0.19 0.54 0.00 0.00 0.00 173.10 173.65 3h3x s VAL 469 N -2.41 1.62 -0.23 1.40 0.11 -1.26 -1.48 120.40 118.15 3h3x s VAL 469 Ca -0.05 -0.80 -0.07 0.00 -2.93 0.00 0.00 61.98 58.12 3h3x s VAL 469 Cb -0.01 -1.39 -0.03 0.00 -1.53 0.00 0.00 36.38 33.42 3h3x s VAL 469 CO -0.01 0.46 0.05 -0.83 -3.33 0.00 0.00 175.10 171.44 3h3x s GLY 470 N 0.13 1.76 -0.08 6.54 0.00 0.02 -4.26 107.32 111.44 3h3x s GLY 470 Ca -0.08 -1.08 0.00 0.00 0.00 0.00 0.00 44.72 43.57 3h3x s GLY 470 CO 0.04 0.44 -0.06 1.08 0.00 0.00 0.00 173.10 174.60 3h3x s LEU 471 N 1.41 3.21 -0.06 0.66 1.43 -1.26 -1.49 118.68 122.58 3h3x s LEU 471 Ca 0.05 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.00 3h3x s LEU 471 Cb -0.15 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.39 3h3x s LEU 471 CO 0.03 0.34 0.31 0.00 0.23 0.00 0.00 176.35 177.27 3h3x s ALA 472 N -0.70 -0.79 -0.64 4.21 0.00 -0.37 -4.91 121.76 118.57 3h3x s ALA 472 Ca 0.11 0.55 -0.16 0.00 0.00 0.00 0.00 51.96 52.46 3h3x s ALA 472 Cb -0.11 -0.17 0.15 0.00 0.00 0.00 0.00 23.12 22.99 3h3x s ALA 472 CO 0.02 -0.22 0.63 -0.51 0.00 0.00 0.00 175.76 175.68 3h3x s ASP 473 N -0.74 6.36 0.98 0.00 1.11 -1.18 -0.12 116.67 123.09 3h3x s ASP 473 Ca -0.08 -1.99 -0.12 0.00 0.18 0.00 0.00 52.55 50.53 3h3x s ASP 473 Cb -0.04 -2.23 0.18 0.00 1.07 0.00 0.00 42.92 41.89 3h3x s ASP 473 CO 0.03 -0.83 1.11 0.00 1.18 0.00 0.00 175.17 176.65 3h3x s ALA 474 N 1.42 1.19 0.46 5.23 0.00 -0.15 -4.84 121.76 125.07 3h3x s ALA 474 Ca 0.10 -0.42 0.30 0.00 0.00 0.00 0.00 51.96 51.93 3h3x s ALA 474 Cb -0.23 -3.09 1.38 0.00 0.00 0.00 0.00 23.12 21.18 3h3x s ALA 474 CO -0.00 -2.68 1.72 -1.35 0.00 0.00 0.00 175.76 173.44 3h3x h PRO 475 N -1.79 0.16 -0.00 0.00 0.11 -1.94 -1.54 132.00 127.01 3h3x h PRO 475 Ca -0.53 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3h3x h PRO 475 Cb 1.33 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3h3x h PRO 475 CO 0.59 0.10 -0.87 0.54 -0.21 0.00 0.00 178.00 178.16 3h3x n ARG 476 N -4.47 0.10 0.00 1.05 1.74 -1.26 -4.32 116.66 109.50 3h3x n ARG 476 Ca 0.31 -0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3h3x n ARG 476 Cb 1.24 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 3h3x n ARG 476 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h3x n GLY 477 N 1.49 0.96 3.64 -0.13 0.00 -0.58 -2.92 105.19 107.65 3h3x n GLY 477 Ca 0.05 -1.91 -0.46 0.00 0.00 0.00 0.00 46.02 43.70 3h3x n GLY 477 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x n ALA 478 N -1.00 1.30 -2.75 4.61 0.00 -1.26 -0.98 120.51 120.42 3h3x n ALA 478 Ca 0.00 0.12 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 3h3x n ALA 478 Cb 0.00 -2.65 -0.16 0.00 0.00 0.00 0.00 19.45 16.64 3h3x n ALA 478 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3h3x s LEU 479 N 5.40 2.05 -0.04 0.00 2.96 0.83 -2.90 118.68 126.97 3h3x s LEU 479 Ca 0.95 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 54.34 3h3x s LEU 479 Cb -0.56 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 44.84 3h3x s LEU 479 CO 0.45 0.23 0.10 -0.94 -1.32 0.00 0.00 176.35 174.88 3h3x s SER 480 N -0.14 -0.08 -0.08 3.68 1.04 -0.69 -1.23 113.70 116.19 3h3x s SER 480 Ca -0.03 0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.64 3h3x s SER 480 Cb -0.13 0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.13 3h3x s SER 480 CO 0.03 -0.09 -0.18 -1.00 0.98 0.00 0.00 173.24 172.99 3h3x s HIS 481 N 0.61 2.66 -0.08 5.02 3.76 -0.56 -1.07 115.29 125.62 3h3x s HIS 481 Ca -0.05 -0.55 0.01 0.00 -0.15 0.00 0.00 55.06 54.33 3h3x s HIS 481 Cb -0.06 -1.70 0.02 0.00 1.11 0.00 0.00 32.58 31.95 3h3x s HIS 481 CO -0.03 -0.11 -0.09 -1.58 -0.85 0.00 0.00 174.74 172.09 3h3x s TRP 482 N -0.12 1.38 -0.02 1.40 0.52 0.03 -0.80 118.94 121.33 3h3x s TRP 482 Ca -0.03 -0.58 0.07 0.00 0.02 0.00 0.00 56.10 55.58 3h3x s TRP 482 Cb -0.14 -1.09 -0.02 0.00 -1.15 0.00 0.00 33.47 31.08 3h3x s TRP 482 CO 0.04 -0.37 -0.23 -1.50 0.02 0.00 0.00 176.95 174.90 3h3x s ILE 483 N 1.16 1.85 -0.18 2.03 2.07 -0.55 -0.63 121.20 126.95 3h3x s ILE 483 Ca -0.06 -1.00 -0.01 0.00 -1.41 0.00 0.00 60.65 58.18 3h3x s ILE 483 Cb -0.14 -1.54 -0.00 0.00 0.13 0.00 0.00 42.46 40.90 3h3x s ILE 483 CO -0.02 0.52 -0.12 -0.13 -1.91 0.00 0.00 174.94 173.29 3h3x s ARG 484 N -0.49 3.27 -0.18 3.50 0.52 0.67 -1.55 118.95 124.70 3h3x s ARG 484 Ca 0.07 -0.71 -0.08 0.00 -0.52 0.00 0.00 55.73 54.50 3h3x s ARG 484 Cb -0.10 -2.75 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 3h3x s ARG 484 CO -0.00 -0.05 0.08 0.42 0.02 0.00 0.00 175.30 175.77 3h3x s ILE 485 N 1.01 4.98 -0.03 1.52 1.01 0.43 -0.10 121.20 130.01 3h3x s ILE 485 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.65 3h3x s ILE 485 Cb -0.15 -3.24 0.02 0.00 0.01 0.00 0.00 42.46 39.10 3h3x s ILE 485 CO -0.02 0.47 0.08 -0.75 0.00 0.00 0.00 174.94 174.72 3h3x s LYS 486 N 0.24 0.06 -1.77 2.79 2.20 -0.41 -1.99 119.74 120.86 3h3x s LYS 486 Ca 0.05 0.17 -0.00 0.00 -0.36 0.00 0.00 55.97 55.83 3h3x s LYS 486 Cb -0.12 -0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.14 3h3x s LYS 486 CO -0.00 -0.07 0.04 0.41 -0.36 0.00 0.00 175.35 175.36 3h3x n GLY 487 N 3.52 -0.50 2.65 5.54 0.00 0.60 -1.22 105.19 115.77 3h3x n GLY 487 Ca -0.18 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 3h3x n GLY 487 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h3x n LYS 488 N -3.08 -1.40 -4.42 1.61 5.02 -0.59 -4.99 118.16 110.30 3h3x n LYS 488 Ca -0.24 0.78 -0.21 0.00 -2.02 0.00 0.00 58.31 56.62 3h3x n LYS 488 Cb 0.68 -5.01 -0.10 0.00 -0.02 0.00 0.00 35.03 30.58 3h3x n LYS 488 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3h3x s LYS 489 N -2.61 1.54 -0.07 1.97 -0.14 -0.36 -4.54 119.74 115.53 3h3x s LYS 489 Ca 0.00 -1.76 -0.30 0.00 -1.36 0.00 0.00 55.97 52.55 3h3x s LYS 489 Cb 0.00 -1.21 -0.05 0.00 -1.68 0.00 0.00 37.83 34.89 3h3x s LYS 489 CO 0.00 0.08 1.65 0.42 -0.76 0.00 0.00 175.35 176.74 3h3x s ILE 490 N -2.96 3.61 -0.18 2.17 1.01 -0.26 -1.29 121.20 123.29 3h3x s ILE 490 Ca 0.29 0.73 -0.03 0.00 0.00 0.00 0.00 60.65 61.64 3h3x s ILE 490 Cb 0.03 -3.49 -0.22 0.00 0.01 0.00 0.00 42.46 38.79 3h3x s ILE 490 CO 0.12 -0.08 0.10 -0.67 0.00 0.00 0.00 174.94 174.40 3h3x n ASP 491 N 7.29 2.05 -3.76 3.58 2.03 0.86 -0.64 116.55 127.96 3h3x n ASP 491 Ca 0.17 0.05 -0.13 0.00 0.52 0.00 0.00 54.79 55.41 3h3x n ASP 491 Cb 0.43 -0.65 -0.11 0.00 -0.72 0.00 0.00 41.12 40.07 3h3x n ASP 491 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3h3x s ASN 492 N -6.80 -0.34 -0.03 1.67 2.47 -1.09 -4.83 114.94 105.98 3h3x s ASN 492 Ca -0.28 0.65 -0.01 0.00 0.42 0.00 0.00 52.86 53.64 3h3x s ASN 492 Cb 0.08 0.66 0.03 0.00 -1.45 0.00 0.00 41.25 40.57 3h3x s ASN 492 CO 0.69 -0.11 0.04 0.12 -3.72 0.00 0.00 177.10 174.13 3h3x s PHE 493 N 0.18 0.08 -0.04 0.43 2.19 -1.26 -0.24 117.98 119.32 3h3x s PHE 493 Ca -0.00 0.19 0.03 0.00 0.33 0.00 0.00 56.93 57.48 3h3x s PHE 493 Cb -0.02 -0.40 0.00 0.00 -1.31 0.00 0.00 43.02 41.29 3h3x s PHE 493 CO 0.00 -0.15 -0.12 -0.65 1.83 0.00 0.00 175.22 176.12 3h3x s GLN 494 N 1.71 1.42 -0.19 10.12 -1.52 0.20 -4.67 119.66 126.73 3h3x s GLN 494 Ca -0.01 -0.43 -0.08 0.00 -1.95 0.00 0.00 55.36 52.89 3h3x s GLN 494 Cb -0.12 -1.25 -0.04 0.00 -0.22 0.00 0.00 33.01 31.38 3h3x s GLN 494 CO -0.03 0.13 0.07 -0.51 -0.25 0.00 0.00 175.29 174.70 3h3x s LEU 495 N 0.28 3.84 -0.26 2.90 1.02 -1.26 -0.79 118.68 124.40 3h3x s LEU 495 Ca -0.06 0.07 -0.00 0.00 0.02 0.00 0.00 54.13 54.16 3h3x s LEU 495 Cb -0.12 -1.98 0.04 0.00 0.02 0.00 0.00 46.19 44.16 3h3x s LEU 495 CO 0.02 0.15 -0.07 -0.69 0.02 0.00 0.00 176.35 175.79 3h3x s VAL 496 N 0.50 2.64 0.07 -1.59 1.01 -0.23 -5.04 120.40 117.75 3h3x s VAL 496 Ca 0.04 -1.32 0.07 0.00 0.00 0.00 0.00 61.98 60.76 3h3x s VAL 496 Cb -0.13 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3h3x s VAL 496 CO 0.01 0.06 -0.13 -0.69 0.00 0.00 0.00 175.10 174.35 3h3x s VAL 497 N 1.23 3.20 0.28 2.92 1.01 -1.26 -1.70 120.40 126.07 3h3x s VAL 497 Ca -0.04 -1.19 -0.02 0.00 0.00 0.00 0.00 61.98 60.72 3h3x s VAL 497 Cb -0.18 -2.44 0.35 0.00 0.00 0.00 0.00 36.38 34.10 3h3x s VAL 497 CO -0.04 0.22 1.61 -0.65 0.00 0.00 0.00 175.10 176.23 3h3x h PRO 498 N 4.02 0.08 0.00 2.72 0.10 -1.79 0.39 132.00 137.52 3h3x h PRO 498 Ca -0.49 -0.00 -0.03 0.00 0.10 0.00 0.00 66.00 65.58 3h3x h PRO 498 Cb 1.16 -0.02 -0.00 0.00 0.10 0.00 0.00 31.00 32.24 3h3x h PRO 498 CO 0.50 0.05 -0.14 0.77 0.10 0.00 0.00 178.00 179.28 3h3x h SER 499 N 0.08 0.00 -0.00 -2.05 0.02 -1.87 -0.42 113.55 109.31 3h3x h SER 499 Ca 0.51 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.46 3h3x h SER 499 Cb 0.98 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 3h3x h SER 499 CO -0.78 0.14 0.00 0.74 -1.14 0.00 0.00 176.83 175.79 3h3x h THR 500 N 0.00 1.13 -0.12 -2.27 2.02 -0.46 0.62 112.91 113.82 3h3x h THR 500 Ca -0.00 -0.37 0.04 0.00 0.77 0.00 0.00 66.41 66.85 3h3x h THR 500 Cb 0.54 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 3h3x h THR 500 CO 0.02 0.10 -0.16 -0.50 0.37 0.00 0.00 175.52 175.35 3h3x h TRP 501 N -0.15 -0.41 0.07 3.16 4.06 -0.72 -2.61 115.95 119.34 3h3x h TRP 501 Ca 0.00 0.02 -0.20 0.00 2.06 0.00 0.00 58.89 60.77 3h3x h TRP 501 Cb 0.16 0.20 0.02 0.00 -1.00 0.00 0.00 29.16 28.54 3h3x h TRP 501 CO -0.02 -0.23 -0.84 -0.91 -3.56 0.00 0.00 178.44 172.88 3h3x h ASN 502 N -0.20 0.62 -0.13 -3.49 2.35 -1.03 -3.39 115.58 110.31 3h3x h ASN 502 Ca 0.09 -0.83 0.00 0.00 -0.55 0.00 0.00 56.30 55.02 3h3x h ASN 502 Cb 0.34 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.51 3h3x h ASN 502 CO -0.24 1.38 0.00 0.18 -1.65 0.00 0.00 177.43 177.10 3h3x n LEU 503 N -4.07 2.86 -4.80 1.61 4.32 0.20 -1.55 117.00 115.57 3h3x n LEU 503 Ca -0.12 -2.74 -0.30 0.00 -0.02 0.00 0.00 56.01 52.83 3h3x n LEU 503 Cb 0.80 -0.37 0.21 0.00 -1.62 0.00 0.00 43.42 42.45 3h3x n LEU 503 CO 0.50 0.67 0.78 -0.83 -1.22 0.00 0.00 177.39 177.30 3h3x s GLY 504 N -2.01 1.72 0.10 -0.72 0.00 -0.98 -4.79 107.32 100.63 3h3x s GLY 504 Ca 0.29 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.83 3h3x s GLY 504 CO 0.06 -0.32 0.13 -1.55 0.00 0.00 0.00 173.10 171.42 3h3x n PRO 505 N -4.20 -0.04 -1.26 2.90 -0.04 -1.26 -4.48 135.00 126.62 3h3x n PRO 505 Ca 0.15 -0.22 -0.34 0.00 -0.04 0.00 0.00 63.50 63.06 3h3x n PRO 505 Cb 0.59 -0.13 0.11 0.00 -0.04 0.00 0.00 33.50 34.03 3h3x n PRO 505 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3h3x s ARG 506 N -3.21 1.88 0.42 0.54 0.52 -1.26 -4.21 118.95 113.63 3h3x s ARG 506 Ca 0.08 1.73 -0.03 0.00 -0.52 0.00 0.00 55.73 56.99 3h3x s ARG 506 Cb -0.00 -1.81 0.09 0.00 0.52 0.00 0.00 34.95 33.75 3h3x s ARG 506 CO 0.05 -2.03 0.58 0.41 0.02 0.00 0.00 175.30 174.34 3h3x n GLY 507 N 0.37 0.06 0.31 -3.53 0.00 -0.92 -4.35 105.19 97.12 3h3x n GLY 507 Ca 0.13 -1.90 0.18 0.00 0.00 0.00 0.00 46.02 44.43 3h3x n GLY 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h3x h ALA 508 N -0.96 1.33 -0.04 4.61 0.00 -1.93 0.19 119.26 122.46 3h3x h ALA 508 Ca -0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3h3x h ALA 508 Cb 0.64 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3h3x h ALA 508 CO 0.18 0.01 0.00 1.04 0.00 0.00 0.00 179.25 180.48 3h3x n GLN 509 N -3.58 1.52 -1.01 0.00 6.02 -1.26 -4.91 117.38 114.16 3h3x n GLN 509 Ca -0.03 -0.76 -0.00 0.00 -0.01 0.00 0.00 57.00 56.19 3h3x n GLN 509 Cb 0.09 -1.46 -0.00 0.00 1.02 0.00 0.00 30.24 29.89 3h3x n GLN 509 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h3x n GLY 510 N 1.11 0.42 3.70 1.08 0.00 0.68 -5.02 105.19 107.16 3h3x n GLY 510 Ca 0.19 -0.95 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 3h3x n GLY 510 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3h3x s ASP 511 N -2.88 7.28 0.49 1.61 -4.77 -1.25 -4.79 116.67 112.35 3h3x s ASP 511 Ca 0.00 1.62 -0.23 0.00 -3.30 0.00 0.00 52.55 50.64 3h3x s ASP 511 Cb 0.00 -2.56 -0.07 0.00 -1.09 0.00 0.00 42.92 39.19 3h3x s ASP 511 CO 0.00 -0.38 1.29 0.29 0.70 0.00 0.00 175.17 177.07 3h3x n LYS 512 N 4.50 1.79 -1.90 2.11 5.02 -1.26 -2.17 118.16 126.24 3h3x n LYS 512 Ca 0.08 0.65 -0.29 0.00 -2.02 0.00 0.00 58.31 56.72 3h3x n LYS 512 Cb 0.49 -2.46 0.15 0.00 -0.02 0.00 0.00 35.03 33.19 3h3x n LYS 512 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3h3x s SER 513 N -0.72 3.66 0.16 4.39 1.04 -1.26 -4.68 113.70 116.30 3h3x s SER 513 Ca 0.66 0.49 -0.15 0.00 0.48 0.00 0.00 55.95 57.43 3h3x s SER 513 Cb -0.46 -0.73 0.10 0.00 0.10 0.00 0.00 66.02 65.03 3h3x s SER 513 CO 0.54 -2.41 1.75 -0.65 0.98 0.00 0.00 173.24 173.45 3h3x h PRO 514 N -1.41 0.28 -0.93 4.02 0.11 -1.76 0.20 132.00 132.51 3h3x h PRO 514 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h3x h PRO 514 Cb 1.28 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 32.28 3h3x h PRO 514 CO 0.50 0.19 0.59 -0.24 -0.21 0.00 0.00 178.00 178.83 3h3x h VAL 515 N 0.29 1.25 -0.15 3.15 3.04 -1.64 0.56 116.25 122.76 3h3x h VAL 515 Ca 0.19 -0.49 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 3h3x h VAL 515 Cb 0.18 -0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 29.36 3h3x h VAL 515 CO -0.20 0.25 0.01 -0.33 -1.01 0.00 0.00 177.57 176.29 3h3x h GLU 516 N 1.27 0.25 -0.35 4.17 5.08 -1.63 -1.21 114.58 122.17 3h3x h GLU 516 Ca 0.34 -0.07 0.04 0.00 -1.00 0.00 0.00 59.36 58.66 3h3x h GLU 516 Cb -0.10 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3h3x h GLU 516 CO -0.07 0.45 0.14 1.49 -1.00 0.00 0.00 179.01 180.02 3h3x h GLU 517 N 0.02 0.28 -0.31 2.33 4.57 -0.50 -3.12 114.58 117.85 3h3x h GLU 517 Ca 0.04 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3h3x h GLU 517 Cb 0.33 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 3h3x h GLU 517 CO 0.00 0.19 0.17 0.00 -1.18 0.00 0.00 179.01 178.20 3h3x h ALA 518 N 1.21 1.73 -0.03 2.92 0.00 0.36 -1.98 119.26 123.46 3h3x h ALA 518 Ca 0.15 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 3h3x h ALA 518 Cb 0.11 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3h3x h ALA 518 CO -0.14 0.24 -0.21 -0.07 0.00 0.00 0.00 179.25 179.06 3h3x h LEU 519 N 0.42 0.05 -9.63 0.00 3.38 -1.16 -3.31 115.31 105.06 3h3x h LEU 519 Ca 0.11 -0.01 -0.52 0.00 0.09 0.00 0.00 57.88 57.55 3h3x h LEU 519 Cb 0.00 -0.01 0.05 0.00 0.09 0.00 0.00 40.66 40.80 3h3x h LEU 519 CO -0.02 0.27 0.98 -0.63 0.09 0.00 0.00 178.44 179.13 3h3x s ILE 520 N -4.56 2.24 0.00 1.22 -1.09 -0.75 -1.29 121.20 116.96 3h3x s ILE 520 Ca -0.04 0.15 0.00 0.00 -2.23 0.00 0.00 60.65 58.53 3h3x s ILE 520 Cb 0.15 -3.10 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 3h3x s ILE 520 CO 0.71 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 175.04 3h3x n GLY 521 N 3.93 1.15 3.68 6.18 0.00 -0.18 -4.74 105.19 115.22 3h3x n GLY 521 Ca 0.15 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.67 3h3x n GLY 521 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3h3x n THR 522 N -2.00 0.52 -2.51 2.61 -1.04 -0.42 -4.62 114.28 106.83 3h3x n THR 522 Ca 0.00 -0.10 -0.34 0.00 -2.04 0.00 0.00 64.05 61.57 3h3x n THR 522 Cb 0.00 -1.74 -0.03 0.00 -1.82 0.00 0.00 70.33 66.74 3h3x n THR 522 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3h3x s PRO 523 N 4.05 3.77 -0.25 -2.82 0.04 -1.26 -0.89 135.00 137.64 3h3x s PRO 523 Ca 0.94 1.40 -0.00 0.00 0.04 0.00 0.00 61.00 63.38 3h3x s PRO 523 Cb -0.77 -2.11 0.07 0.00 0.04 0.00 0.00 34.50 31.73 3h3x s PRO 523 CO 0.55 -0.47 0.02 0.42 0.04 0.00 0.00 177.00 177.56 3h3x s ILE 524 N -1.93 1.14 0.19 0.56 -1.09 0.99 -4.71 121.20 116.35 3h3x s ILE 524 Ca 0.67 -1.18 -0.06 0.00 -2.23 0.00 0.00 60.65 57.85 3h3x s ILE 524 Cb -0.18 -1.63 -0.01 0.00 -1.58 0.00 0.00 42.46 39.07 3h3x s ILE 524 CO 0.21 -0.33 1.56 0.00 -1.23 0.00 0.00 174.94 175.16 3h3x h ALA 525 N 8.04 0.75 -2.45 9.38 0.00 -1.87 0.10 119.26 133.22 3h3x h ALA 525 Ca -0.15 -0.42 -0.39 0.00 0.00 0.00 0.00 54.91 53.95 3h3x h ALA 525 Cb 1.06 -0.13 -0.36 0.00 0.00 0.00 0.00 17.79 18.36 3h3x h ALA 525 CO 0.42 0.66 -0.68 0.34 0.00 0.00 0.00 179.25 179.98 3h3x s ASP 526 N -6.81 2.17 0.60 0.00 2.15 -1.26 -3.82 116.67 109.69 3h3x s ASP 526 Ca -0.09 -0.79 0.31 0.00 0.43 0.00 0.00 52.55 52.41 3h3x s ASP 526 Cb 0.12 0.21 1.85 0.00 -0.30 0.00 0.00 42.92 44.80 3h3x s ASP 526 CO 0.85 -0.39 2.23 1.55 -0.17 0.00 0.00 175.17 179.24 3h3x h PRO 527 N 8.32 0.00 -0.13 4.34 0.13 -2.00 -1.24 132.00 141.42 3h3x h PRO 527 Ca -0.16 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.89 3h3x h PRO 527 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3h3x h PRO 527 CO 0.35 0.00 -0.28 0.87 -0.23 0.00 0.00 178.00 178.71 3h3x h LYS 528 N 0.00 0.25 -2.62 0.86 1.79 -2.00 -3.36 116.57 111.48 3h3x h LYS 528 Ca 0.02 -0.09 -0.60 0.00 -2.18 0.00 0.00 60.65 57.81 3h3x h LYS 528 Cb 0.13 -0.02 -0.39 0.00 -1.58 0.00 0.00 32.23 30.37 3h3x h LYS 528 CO -0.00 0.51 -0.85 1.03 -1.08 0.00 0.00 179.45 179.06 3h3x s ARG 529 N -4.41 1.10 -1.36 3.15 0.52 -0.49 -5.05 118.95 112.42 3h3x s ARG 529 Ca -0.05 -2.08 -0.08 0.00 -0.52 0.00 0.00 55.73 53.00 3h3x s ARG 529 Cb 0.14 -1.82 0.10 0.00 0.52 0.00 0.00 34.95 33.89 3h3x s ARG 529 CO 0.75 -1.29 2.29 -0.35 0.02 0.00 0.00 175.30 176.72 3h3x n PRO 530 N 3.12 4.07 -0.12 3.54 -0.04 -1.09 -4.49 135.00 139.99 3h3x n PRO 530 Ca 0.21 -3.26 0.19 0.00 -0.04 0.00 0.00 63.50 60.59 3h3x n PRO 530 Cb 0.41 -2.79 0.59 0.00 -0.04 0.00 0.00 33.50 31.68 3h3x n PRO 530 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3h3x h VAL 531 N 3.10 0.74 -0.41 0.52 3.04 -1.96 -2.06 116.25 119.21 3h3x h VAL 531 Ca 0.62 -0.08 -0.04 0.00 -1.01 0.00 0.00 66.70 66.19 3h3x h VAL 531 Cb 0.42 0.48 -0.02 0.00 -2.01 0.00 0.00 31.29 30.16 3h3x h VAL 531 CO 1.59 0.04 0.09 -0.33 -1.01 0.00 0.00 177.57 177.95 3h3x h GLU 532 N 0.24 0.61 -0.07 4.17 3.07 -1.85 -0.94 114.58 119.80 3h3x h GLU 532 Ca 0.35 -0.11 0.02 0.00 -0.50 0.00 0.00 59.36 59.12 3h3x h GLU 532 Cb 1.03 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.82 3h3x h GLU 532 CO -0.08 0.57 -0.06 0.82 -1.40 0.00 0.00 179.01 178.86 3h3x h ILE 533 N 0.59 0.83 -0.71 3.13 2.04 -1.68 -2.71 117.51 119.00 3h3x h ILE 533 Ca 0.14 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.08 3h3x h ILE 533 Cb 0.24 0.83 -0.07 0.00 -0.74 0.00 0.00 36.82 37.09 3h3x h ILE 533 CO -0.00 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 178.44 3h3x h LEU 534 N -0.06 0.50 -0.44 1.44 3.38 -1.35 -1.49 115.31 117.28 3h3x h LEU 534 Ca 0.05 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.12 3h3x h LEU 534 Cb 0.14 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 3h3x h LEU 534 CO -0.11 0.29 0.17 0.03 0.09 0.00 0.00 178.44 178.91 3h3x h ARG 535 N 0.63 0.35 -0.01 1.13 3.08 -0.89 0.10 114.38 118.77 3h3x h ARG 535 Ca 0.34 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.36 3h3x h ARG 535 Cb 0.32 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.29 3h3x h ARG 535 CO -0.25 0.23 -0.03 1.15 -1.07 0.00 0.00 179.97 180.01 3h3x h THR 536 N 0.36 1.45 0.05 2.04 2.02 -1.36 -2.25 112.91 115.23 3h3x h THR 536 Ca 0.20 -1.37 0.02 0.00 0.77 0.00 0.00 66.41 66.03 3h3x h THR 536 Cb 0.17 2.35 -0.04 0.00 -1.74 0.00 0.00 68.15 68.89 3h3x h THR 536 CO -0.19 0.36 -0.24 0.58 0.37 0.00 0.00 175.52 176.41 3h3x h VAL 537 N -0.52 0.47 -0.61 3.16 2.07 -1.14 -2.63 116.25 117.05 3h3x h VAL 537 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3h3x h VAL 537 Cb 0.61 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3h3x h VAL 537 CO 0.01 0.00 0.40 0.45 0.02 0.00 0.00 177.57 178.45 3h3x h HIS 538 N -0.40 0.55 -0.42 1.57 -0.00 -0.89 -1.87 115.15 113.68 3h3x h HIS 538 Ca 0.05 0.01 0.11 0.00 -0.00 0.00 0.00 60.37 60.54 3h3x h HIS 538 Cb 0.45 -0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.66 3h3x h HIS 538 CO -0.25 0.28 0.30 0.00 -0.00 0.00 0.00 177.93 178.26 3h3x h ALA 539 N 1.68 2.28 0.00 2.45 0.00 -1.01 0.30 119.26 124.95 3h3x h ALA 539 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3h3x h ALA 539 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h3x h ALA 539 CO -0.08 -0.39 0.00 1.19 0.00 0.00 0.00 179.25 179.97 3h3x n PHE 540 N -4.44 0.00 -3.51 0.00 3.72 -0.70 -4.68 117.46 107.85 3h3x n PHE 540 Ca 0.07 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.24 3h3x n PHE 540 Cb 0.44 -0.42 0.05 0.00 -0.94 0.00 0.00 39.48 38.61 3h3x n PHE 540 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3h3x n ASP 541 N -1.42 -4.77 -4.77 4.37 2.03 0.10 -4.89 116.55 107.20 3h3x n ASP 541 Ca 0.08 -0.84 -0.41 0.00 0.52 0.00 0.00 54.79 54.15 3h3x n ASP 541 Cb 0.26 -4.31 -0.02 0.00 -0.72 0.00 0.00 41.12 36.34 3h3x n ASP 541 CO 0.00 0.00 0.00 -2.84 -1.92 0.00 0.00 177.20 172.44 3h3x s PRO 542 N -5.35 4.29 -0.24 -0.67 0.02 -1.26 -4.97 135.00 126.83 3h3x s PRO 542 Ca 0.35 2.31 -0.03 0.00 0.02 0.00 0.00 61.00 63.65 3h3x s PRO 542 Cb -0.08 -3.04 0.08 0.00 0.02 0.00 0.00 34.50 31.47 3h3x s PRO 542 CO 0.80 -0.28 0.07 0.00 -0.33 0.00 0.00 177.00 177.26 3h3x h ILE 544 N 6.48 1.25 -0.40 0.00 1.08 -1.12 -1.43 117.51 123.38 3h3x h ILE 544 Ca -0.16 -2.95 -0.12 0.00 -0.39 0.00 0.00 64.86 61.24 3h3x h ILE 544 Cb 1.08 2.60 -0.01 0.00 -3.07 0.00 0.00 36.82 37.41 3h3x h ILE 544 CO 0.38 0.71 -0.22 0.00 -0.69 0.00 0.00 178.15 178.33 3h3x h ALA 545 N 1.09 0.86 0.67 1.87 0.00 -1.82 -1.52 119.26 120.42 3h3x h ALA 545 Ca -0.11 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3h3x h ALA 545 Cb 1.79 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.43 3h3x h ALA 545 CO 0.10 0.63 -0.32 0.00 0.00 0.00 0.00 179.25 179.66 3h3x h GLY 547 N -0.92 1.32 0.41 0.00 0.00 -1.12 -3.26 103.07 99.50 3h3x h GLY 547 Ca -0.09 -0.49 -0.32 0.00 0.00 0.00 0.00 47.33 46.42 3h3x h GLY 547 CO 0.15 0.48 -1.77 -0.62 0.00 0.00 0.00 176.54 174.79 3h3x n VAL 548 N -4.39 1.70 -0.10 4.60 0.31 -0.58 -4.48 118.33 115.39 3h3x n VAL 548 Ca 0.11 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.99 3h3x n VAL 548 Cb 0.02 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.11 3h3x n VAL 548 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51