#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b9x s ARG 4 N 0.00 3.84 0.12 1.97 1.81 -0.06 -4.82 118.95 121.81 3b9x s ARG 4 Ca 0.00 0.17 -0.31 0.00 -1.72 0.00 0.00 55.73 53.87 3b9x s ARG 4 Cb 0.00 -3.74 -0.08 0.00 -0.45 0.00 0.00 34.95 30.68 3b9x s ARG 4 CO 0.00 -0.57 1.38 0.15 -0.68 0.00 0.00 175.30 175.58 3b9x s LYS 5 N 2.52 4.33 0.04 3.54 1.02 -1.26 -0.78 119.74 129.15 3b9x s LYS 5 Ca 0.23 2.07 0.03 0.00 0.02 0.00 0.00 55.97 58.32 3b9x s LYS 5 Cb -0.15 -3.24 -0.02 0.00 -0.52 0.00 0.00 37.83 33.89 3b9x s LYS 5 CO 0.12 -0.42 -0.09 0.96 -0.92 0.00 0.00 175.35 175.00 3b9x s ILE 6 N 1.00 0.67 -0.24 2.17 -4.36 -0.17 -1.48 121.20 118.80 3b9x s ILE 6 Ca 0.64 -1.02 -0.06 0.00 -0.26 0.00 0.00 60.65 59.95 3b9x s ILE 6 Cb -0.37 -0.69 -0.02 0.00 1.25 0.00 0.00 42.46 42.63 3b9x s ILE 6 CO 0.31 -0.27 0.02 -0.63 0.24 0.00 0.00 174.94 174.60 3b9x s ILE 7 N -1.19 3.86 -0.34 8.37 1.01 -0.82 -1.38 121.20 130.72 3b9x s ILE 7 Ca -0.06 -0.32 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 3b9x s ILE 7 Cb -0.09 -2.79 -0.01 0.00 0.01 0.00 0.00 42.46 39.58 3b9x s ILE 7 CO 0.01 0.38 0.39 -0.22 0.00 0.00 0.00 174.94 175.49 3b9x s LEU 8 N 1.54 4.38 -0.25 2.97 2.96 -0.92 -1.21 118.68 128.14 3b9x s LEU 8 Ca 0.06 -0.14 -0.07 0.00 -0.22 0.00 0.00 54.13 53.75 3b9x s LEU 8 Cb -0.15 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 3b9x s LEU 8 CO 0.00 -0.34 0.07 -0.62 -1.32 0.00 0.00 176.35 174.14 3b9x s ASP 9 N 1.73 5.14 0.27 3.68 2.15 -0.63 -1.00 116.67 128.02 3b9x s ASP 9 Ca 0.13 -0.24 -0.12 0.00 0.43 0.00 0.00 52.55 52.75 3b9x s ASP 9 Cb -0.16 -1.92 0.00 0.00 -0.30 0.00 0.00 42.92 40.54 3b9x s ASP 9 CO 0.12 -0.05 0.52 0.00 -0.17 0.00 0.00 175.17 175.59 3b9x n ASP 11 N -0.60 0.99 -4.72 0.00 5.75 -1.26 -1.52 116.55 115.18 3b9x n ASP 11 Ca -0.02 -2.98 -0.42 0.00 -0.01 0.00 0.00 54.79 51.37 3b9x n ASP 11 Cb 0.61 -0.62 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 3b9x n ASP 11 CO 0.00 0.00 0.00 -2.84 -0.11 0.00 0.00 177.20 174.25 3b9x s PRO 12 N -2.14 4.34 0.00 0.11 0.02 -1.26 -4.24 135.00 131.83 3b9x s PRO 12 Ca 0.39 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.50 3b9x s PRO 12 Cb 0.29 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.59 3b9x s PRO 12 CO -0.09 -0.38 0.00 0.41 -0.33 0.00 0.00 177.00 176.61 3b9x n GLY 13 N 3.04 1.05 0.21 0.52 0.00 0.28 -4.37 105.19 105.91 3b9x n GLY 13 Ca 0.09 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 3b9x n GLY 13 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3b9x h HIS 14 N 0.00 -0.41 0.00 1.61 3.86 -1.89 -2.05 115.15 116.26 3b9x h HIS 14 Ca 0.00 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 3b9x h HIS 14 Cb 0.00 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3b9x h HIS 14 CO 0.00 -0.07 -0.42 0.38 0.86 0.00 0.00 177.93 178.68 3b9x h ASP 15 N -0.84 0.00 -0.95 2.45 2.03 -1.96 -2.32 116.42 114.83 3b9x h ASP 15 Ca -0.05 0.00 0.09 0.00 -0.73 0.00 0.00 57.03 56.34 3b9x h ASP 15 Cb 0.52 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 38.95 3b9x h ASP 15 CO 0.07 0.42 0.59 0.44 -1.03 0.00 0.00 179.24 179.74 3b9x h ASP 16 N 0.00 0.90 -0.50 4.15 3.32 -1.91 -1.35 116.42 121.03 3b9x h ASP 16 Ca -0.00 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 3b9x h ASP 16 Cb 0.86 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3b9x h ASP 16 CO 0.05 0.53 -0.04 0.00 -1.72 0.00 0.00 179.24 178.07 3b9x h ALA 17 N 1.47 0.91 -0.74 3.45 0.00 -0.80 -0.19 119.26 123.36 3b9x h ALA 17 Ca 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3b9x h ALA 17 Cb 0.31 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3b9x h ALA 17 CO -0.22 0.64 0.44 0.82 0.00 0.00 0.00 179.25 180.94 3b9x h ILE 18 N 0.87 1.21 -0.77 0.00 1.08 -1.33 -0.91 117.51 117.66 3b9x h ILE 18 Ca 0.15 -0.48 -0.03 0.00 -0.39 0.00 0.00 64.86 64.11 3b9x h ILE 18 Cb 0.57 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 3b9x h ILE 18 CO 0.03 0.22 0.36 0.00 -0.69 0.00 0.00 178.15 178.07 3b9x h ALA 19 N 1.23 1.00 -0.48 1.87 0.00 -0.68 -1.04 119.26 121.16 3b9x h ALA 19 Ca 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3b9x h ALA 19 Cb -0.02 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3b9x h ALA 19 CO -0.05 0.58 0.21 0.82 0.00 0.00 0.00 179.25 180.81 3b9x h ILE 20 N 1.09 1.20 -0.25 0.00 2.04 -0.73 -1.11 117.51 119.75 3b9x h ILE 20 Ca 0.26 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3b9x h ILE 20 Cb 0.14 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 3b9x h ILE 20 CO -0.03 0.22 0.15 -0.03 0.00 0.00 0.00 178.15 178.47 3b9x h MET 21 N 0.63 0.31 -0.11 2.37 4.05 -0.84 -2.12 114.93 119.21 3b9x h MET 21 Ca 0.16 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.54 3b9x h MET 21 Cb 0.15 -0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 30.88 3b9x h MET 21 CO -0.02 0.20 -0.00 0.52 0.23 0.00 0.00 176.91 177.84 3b9x h MET 22 N 0.31 0.20 -0.79 0.39 2.86 -1.06 -3.22 114.93 113.63 3b9x h MET 22 Ca 0.10 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3b9x h MET 22 Cb -0.01 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 3b9x h MET 22 CO -0.04 0.45 0.32 0.00 1.06 0.00 0.00 176.91 178.71 3b9x h ALA 23 N 0.74 1.08 0.00 6.32 0.00 -1.17 -2.25 119.26 123.98 3b9x h ALA 23 Ca 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3b9x h ALA 23 Cb 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3b9x h ALA 23 CO 0.01 0.66 -0.17 0.00 0.00 0.00 0.00 179.25 179.74 3b9x h ALA 24 N 1.21 1.22 0.00 0.00 0.00 -1.47 -3.37 119.26 116.84 3b9x h ALA 24 Ca 0.26 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.74 3b9x h ALA 24 Cb 0.20 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 3b9x h ALA 24 CO -0.02 0.21 -2.05 1.17 0.00 0.00 0.00 179.25 178.56 3b9x n LYS 25 N -3.61 0.98 -2.27 0.00 3.00 -0.91 -4.94 118.16 110.41 3b9x n LYS 25 Ca -0.01 0.06 -0.42 0.00 -0.00 0.00 0.00 58.31 57.93 3b9x n LYS 25 Cb 0.30 -1.38 -0.03 0.00 0.00 0.00 0.00 35.03 33.92 3b9x n LYS 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 3b9x s HIS 26 N -2.37 3.26 0.40 5.64 2.46 -0.89 -4.92 115.29 118.85 3b9x s HIS 26 Ca -0.17 1.06 0.39 0.00 0.47 0.00 0.00 55.06 56.80 3b9x s HIS 26 Cb 0.06 -3.59 2.01 0.00 -0.13 0.00 0.00 32.58 30.93 3b9x s HIS 26 CO 0.52 -2.01 2.18 -1.00 -2.47 0.00 0.00 174.74 171.96 3b9x h PRO 27 N 6.95 0.00 -0.00 2.88 0.13 -1.93 -2.07 132.00 137.95 3b9x h PRO 27 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3b9x h PRO 27 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3b9x h PRO 27 CO 0.85 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 178.57 3b9x n ALA 28 N -2.03 2.60 -3.25 -0.56 0.00 -1.26 -4.71 120.51 111.29 3b9x n ALA 28 Ca -0.02 -0.19 -0.33 0.00 0.00 0.00 0.00 53.44 52.91 3b9x n ALA 28 Cb 0.11 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 17.98 3b9x n ALA 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3b9x s ILE 29 N -2.57 2.55 -0.58 0.00 -1.09 -0.78 -0.89 121.20 117.84 3b9x s ILE 29 Ca 0.28 -0.83 -0.10 0.00 -2.23 0.00 0.00 60.65 57.77 3b9x s ILE 29 Cb 0.20 -2.04 0.15 0.00 -1.58 0.00 0.00 42.46 39.19 3b9x s ILE 29 CO 0.48 0.54 0.46 -0.62 -1.23 0.00 0.00 174.94 174.56 3b9x s ASP 30 N 0.49 5.88 -0.61 3.58 -1.08 0.04 -4.79 116.67 120.17 3b9x s ASP 30 Ca -0.12 -2.24 -0.26 0.00 -0.52 0.00 0.00 52.55 49.41 3b9x s ASP 30 Cb -0.16 -2.04 0.04 0.00 -1.46 0.00 0.00 42.92 39.29 3b9x s ASP 30 CO 0.05 -0.63 1.09 -0.22 0.52 0.00 0.00 175.17 175.98 3b9x s LEU 31 N 0.88 3.76 0.08 -1.34 2.96 -1.26 -1.00 118.68 122.75 3b9x s LEU 31 Ca 0.10 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.58 3b9x s LEU 31 Cb -0.22 -2.84 -0.23 0.00 0.50 0.00 0.00 46.19 43.40 3b9x s LEU 31 CO -0.03 -1.44 1.19 -0.07 -1.32 0.00 0.00 176.35 174.68 3b9x h LEU 32 N 11.69 0.89 -7.00 -0.68 3.38 -1.62 -3.49 115.31 118.48 3b9x h LEU 32 Ca -0.26 -0.72 0.21 0.00 0.09 0.00 0.00 57.88 57.19 3b9x h LEU 32 Cb 1.06 -0.27 -0.19 0.00 0.09 0.00 0.00 40.66 41.35 3b9x h LEU 32 CO 1.17 1.53 0.74 -0.83 0.09 0.00 0.00 178.44 181.13 3b9x s GLY 33 N -4.33 -0.29 -0.19 0.83 0.00 -1.25 -4.56 107.32 97.53 3b9x s GLY 33 Ca -0.09 1.66 -0.01 0.00 0.00 0.00 0.00 44.72 46.27 3b9x s GLY 33 CO 0.92 0.60 -0.11 -0.42 0.00 0.00 0.00 173.10 174.09 3b9x s ILE 34 N -2.27 2.87 -0.05 0.90 1.01 -0.74 -2.17 121.20 120.74 3b9x s ILE 34 Ca 0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 60.03 3b9x s ILE 34 Cb -0.01 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 3b9x s ILE 34 CO -0.05 0.48 0.03 0.42 0.00 0.00 0.00 174.94 175.83 3b9x s THR 35 N 1.16 4.49 -0.03 2.92 -4.23 -0.17 -0.82 115.64 118.95 3b9x s THR 35 Ca 0.01 -0.33 0.03 0.00 -1.18 0.00 0.00 61.69 60.23 3b9x s THR 35 Cb -0.14 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.71 3b9x s THR 35 CO -0.04 0.49 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.79 3b9x s ILE 36 N -1.02 3.31 0.05 2.99 -1.09 0.06 -0.97 121.20 124.53 3b9x s ILE 36 Ca 0.17 -0.72 0.05 0.00 -2.23 0.00 0.00 60.65 57.93 3b9x s ILE 36 Cb -0.12 -2.35 -0.02 0.00 -1.58 0.00 0.00 42.46 38.39 3b9x s ILE 36 CO 0.07 0.53 -0.15 0.54 -1.23 0.00 0.00 174.94 174.69 3b9x s VAL 37 N -0.83 1.22 0.58 2.92 0.11 -0.58 -0.63 120.40 123.20 3b9x s VAL 37 Ca 0.13 -1.09 -0.19 0.00 -2.93 0.00 0.00 61.98 57.90 3b9x s VAL 37 Cb -0.11 -1.11 -0.04 0.00 -1.53 0.00 0.00 36.38 33.60 3b9x s VAL 37 CO 0.03 0.01 1.23 0.00 -3.33 0.00 0.00 175.10 173.03 3b9x s ALA 38 N -0.90 2.58 0.00 1.54 0.00 -0.70 -4.32 121.76 119.96 3b9x s ALA 38 Ca 0.02 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3b9x s ALA 38 Cb -0.08 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.57 3b9x s ALA 38 CO 0.02 -1.20 0.00 0.41 0.00 0.00 0.00 175.76 174.99 3b9x n GLY 39 N 0.57 -2.06 0.32 0.00 0.00 -1.26 -4.57 105.19 98.19 3b9x n GLY 39 Ca 0.13 0.80 0.17 0.00 0.00 0.00 0.00 46.02 47.12 3b9x n GLY 39 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3b9x h ASN 40 N 0.00 0.07 -5.71 1.61 -0.26 -1.88 -3.33 115.58 106.08 3b9x h ASN 40 Ca 0.00 0.21 -0.33 0.00 -0.56 0.00 0.00 56.30 55.62 3b9x h ASN 40 Cb 0.00 0.27 -0.14 0.00 -1.06 0.00 0.00 38.32 37.39 3b9x h ASN 40 CO 0.00 -0.20 -0.54 -1.10 -1.06 0.00 0.00 177.43 174.53 3b9x s GLN 41 N -5.86 1.46 0.71 0.81 -1.52 -1.26 -0.85 119.66 113.15 3b9x s GLN 41 Ca -0.12 -1.79 -0.16 0.00 -1.95 0.00 0.00 55.36 51.34 3b9x s GLN 41 Cb 0.28 0.30 0.01 0.00 -0.22 0.00 0.00 33.01 33.38 3b9x s GLN 41 CO 0.78 -0.52 1.10 0.25 -0.25 0.00 0.00 175.29 176.66 3b9x n THR 42 N -0.43 3.34 -0.36 -0.19 -2.24 -1.26 -4.64 114.28 108.50 3b9x n THR 42 Ca 0.04 -0.38 0.03 0.00 -2.27 0.00 0.00 64.05 61.47 3b9x n THR 42 Cb 0.64 -1.23 0.19 0.00 -2.10 0.00 0.00 70.33 67.83 3b9x n THR 42 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3b9x h LEU 43 N -0.11 1.02 -0.96 3.22 5.85 -1.87 -1.08 115.31 121.37 3b9x h LEU 43 Ca -0.48 0.01 0.22 0.00 0.84 0.00 0.00 57.88 58.48 3b9x h LEU 43 Cb 1.33 -0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.04 3b9x h LEU 43 CO 0.49 0.64 0.53 -2.24 -0.34 0.00 0.00 178.44 177.51 3b9x h ASP 44 N 1.15 0.58 0.09 1.25 2.03 -1.97 -1.23 116.42 118.33 3b9x h ASP 44 Ca 0.44 0.13 -0.14 0.00 -0.73 0.00 0.00 57.03 56.73 3b9x h ASP 44 Cb 0.21 0.05 0.01 0.00 -0.83 0.00 0.00 39.33 38.77 3b9x h ASP 44 CO -0.18 0.10 -0.65 0.11 -1.03 0.00 0.00 179.24 177.59 3b9x h LYS 45 N 0.56 0.20 -0.18 4.15 1.57 -1.59 -3.13 116.57 118.15 3b9x h LYS 45 Ca 0.60 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.99 3b9x h LYS 45 Cb 1.10 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3b9x h LYS 45 CO -0.47 1.16 -0.12 1.79 -0.57 0.00 0.00 179.45 181.24 3b9x h THR 46 N -0.57 1.18 0.10 -0.16 1.35 -1.11 -1.44 112.91 112.26 3b9x h THR 46 Ca -0.12 -0.80 -0.00 0.00 -0.55 0.00 0.00 66.41 64.93 3b9x h THR 46 Cb 1.46 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 3b9x h THR 46 CO 0.09 0.25 -0.05 0.25 -0.25 0.00 0.00 175.52 175.81 3b9x h LEU 47 N 0.27 -0.12 -0.42 3.87 5.85 -1.34 -0.99 115.31 122.43 3b9x h LEU 47 Ca 0.06 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.67 3b9x h LEU 47 Cb 0.38 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3b9x h LEU 47 CO 0.02 0.05 0.25 0.40 -0.34 0.00 0.00 178.44 178.82 3b9x h ILE 48 N -0.28 1.05 -0.30 4.05 2.04 -1.44 0.26 117.51 122.88 3b9x h ILE 48 Ca -0.01 -0.17 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3b9x h ILE 48 Cb 0.23 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 3b9x h ILE 48 CO 0.02 0.09 0.11 0.78 0.00 0.00 0.00 178.15 179.16 3b9x h ASN 49 N 0.50 0.13 -0.19 1.72 2.35 -1.27 0.20 115.58 119.01 3b9x h ASN 49 Ca 0.17 0.03 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 3b9x h ASN 49 Cb 0.01 0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.33 3b9x h ASN 49 CO -0.08 0.11 -0.21 1.23 -1.65 0.00 0.00 177.43 176.83 3b9x h GLY 50 N 0.25 -0.14 0.99 2.83 0.00 -0.84 -1.73 103.07 104.42 3b9x h GLY 50 Ca 0.13 0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 3b9x h GLY 50 CO -0.13 -0.19 0.31 1.41 0.00 0.00 0.00 176.54 177.95 3b9x h LEU 51 N -0.24 0.60 -1.03 3.11 3.38 -0.50 -2.85 115.31 117.78 3b9x h LEU 51 Ca 0.12 -0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.13 3b9x h LEU 51 Cb 0.42 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3b9x h LEU 51 CO -0.33 0.47 0.64 0.78 0.09 0.00 0.00 178.44 180.09 3b9x h ASN 52 N 0.68 0.99 0.08 -0.43 -0.26 -0.50 0.09 115.58 116.23 3b9x h ASN 52 Ca 0.18 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.94 3b9x h ASN 52 Cb -0.03 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.04 3b9x h ASN 52 CO -0.04 0.60 -0.04 0.58 -1.06 0.00 0.00 177.43 177.48 3b9x h VAL 53 N 1.11 1.09 -0.61 2.81 2.07 -1.14 -0.75 116.25 120.82 3b9x h VAL 53 Ca 0.45 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.35 3b9x h VAL 53 Cb 0.28 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 3b9x h VAL 53 CO -0.20 0.14 0.18 0.00 0.02 0.00 0.00 177.57 177.71 3b9x h GLN 55 N 0.89 -0.11 -0.85 0.00 4.15 -0.91 0.23 115.11 118.52 3b9x h GLN 55 Ca 0.20 0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.81 3b9x h GLN 55 Cb 0.27 0.02 -0.11 0.00 0.21 0.00 0.00 27.48 27.87 3b9x h GLN 55 CO -0.01 0.27 0.36 -0.22 -1.93 0.00 0.00 178.83 177.30 3b9x h LYS 56 N -0.51 0.42 -0.33 1.69 1.63 -1.06 -2.13 116.57 116.28 3b9x h LYS 56 Ca -0.01 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3b9x h LYS 56 Cb 0.43 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.96 3b9x h LYS 56 CO 0.02 0.28 0.00 1.28 -3.45 0.00 0.00 179.45 177.58 3b9x n LEU 57 N -5.02 2.75 -3.98 5.20 4.77 -0.66 -4.95 117.00 115.10 3b9x n LEU 57 Ca 0.19 -1.20 -0.26 0.00 -0.03 0.00 0.00 56.01 54.71 3b9x n LEU 57 Cb 0.55 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.41 3b9x n LEU 57 CO 0.15 0.60 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.95 3b9x n GLU 58 N 1.03 -3.19 -3.03 3.23 1.02 -0.49 -4.95 120.64 114.25 3b9x n GLU 58 Ca 0.18 0.39 -0.40 0.00 -0.02 0.00 0.00 57.16 57.30 3b9x n GLU 58 Cb 0.49 -4.51 -0.05 0.00 -0.02 0.00 0.00 31.44 27.35 3b9x n GLU 58 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3b9x s ILE 59 N -3.95 4.98 -1.04 -3.67 1.01 0.69 -5.01 121.20 114.21 3b9x s ILE 59 Ca 0.04 1.37 -0.05 0.00 0.00 0.00 0.00 60.65 62.00 3b9x s ILE 59 Cb -0.02 -4.02 0.27 0.00 0.01 0.00 0.00 42.46 38.70 3b9x s ILE 59 CO 0.90 0.11 1.10 0.59 0.00 0.00 0.00 174.94 177.63 3b9x n ASN 60 N 4.91 5.32 -3.87 3.58 3.02 -1.26 -4.68 115.26 122.28 3b9x n ASN 60 Ca 0.01 -3.16 -0.17 0.00 -0.03 0.00 0.00 54.58 51.22 3b9x n ASN 60 Cb 0.50 -1.24 -0.16 0.00 -0.61 0.00 0.00 39.78 38.27 3b9x n ASN 60 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3b9x s VAL 61 N -1.70 0.32 0.21 2.41 1.01 -1.26 -5.13 120.40 116.25 3b9x s VAL 61 Ca 0.31 -0.04 -0.32 0.00 0.00 0.00 0.00 61.98 61.92 3b9x s VAL 61 Cb -0.05 -0.36 -0.13 0.00 0.00 0.00 0.00 36.38 35.85 3b9x s VAL 61 CO -0.05 0.16 1.63 -2.65 0.00 0.00 0.00 175.10 174.19 3b9x n PRO 62 N 3.82 2.50 -4.23 2.72 -0.02 -1.26 -4.85 135.00 133.68 3b9x n PRO 62 Ca -0.23 0.90 -0.34 0.00 -2.02 0.00 0.00 63.50 61.81 3b9x n PRO 62 Cb 0.52 -2.70 -0.10 0.00 -0.02 0.00 0.00 33.50 31.20 3b9x n PRO 62 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3b9x s VAL 63 N 0.83 4.36 -0.07 -1.45 1.01 -1.26 -1.79 120.40 122.03 3b9x s VAL 63 Ca 0.74 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.57 3b9x s VAL 63 Cb -0.57 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 3b9x s VAL 63 CO 0.38 0.51 -0.19 -0.31 0.00 0.00 0.00 175.10 175.48 3b9x s TYR 64 N 0.06 2.00 0.10 5.22 2.02 0.00 -0.35 117.35 126.41 3b9x s TYR 64 Ca 0.03 -0.69 -0.27 0.00 -0.37 0.00 0.00 57.07 55.77 3b9x s TYR 64 Cb -0.13 -1.36 -0.06 0.00 -0.40 0.00 0.00 41.96 40.01 3b9x s TYR 64 CO 0.02 -0.27 0.84 0.00 -1.57 0.00 0.00 175.55 174.57 3b9x s ALA 65 N 0.22 3.34 0.00 3.71 0.00 -1.26 -0.76 121.76 127.01 3b9x s ALA 65 Ca -0.10 0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.27 3b9x s ALA 65 Cb -0.15 -3.09 0.00 0.00 0.00 0.00 0.00 23.12 19.88 3b9x s ALA 65 CO 0.05 0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.30 3b9x n GLY 66 N 2.16 2.28 3.68 0.00 0.00 0.20 -0.81 105.19 112.69 3b9x n GLY 66 Ca -0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 3b9x n GLY 66 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3b9x s MET 67 N 4.21 4.26 0.00 1.61 -1.94 -1.26 -4.88 119.30 121.31 3b9x s MET 67 Ca 0.00 1.92 0.26 0.00 -1.71 0.00 0.00 55.69 56.16 3b9x s MET 67 Cb 0.00 -3.68 1.27 0.00 2.01 0.00 0.00 34.83 34.43 3b9x s MET 67 CO 0.00 -0.64 1.85 -0.35 -0.01 0.00 0.00 175.02 175.87 3b9x n PRO 68 N 5.92 1.33 -3.69 2.03 -0.04 -1.26 -1.73 135.00 137.56 3b9x n PRO 68 Ca 0.14 -0.48 -0.13 0.00 -0.04 0.00 0.00 63.50 62.99 3b9x n PRO 68 Cb 0.44 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 32.40 3b9x n PRO 68 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3b9x s GLN 69 N -1.96 0.86 0.92 0.54 -1.52 -1.26 -4.61 119.66 112.63 3b9x s GLN 69 Ca 0.38 -0.34 -0.12 0.00 -1.95 0.00 0.00 55.36 53.33 3b9x s GLN 69 Cb 0.19 0.38 0.14 0.00 -0.22 0.00 0.00 33.01 33.51 3b9x s GLN 69 CO 0.31 -0.28 1.09 -1.25 -0.25 0.00 0.00 175.29 174.90 3b9x s PRO 70 N -2.27 1.05 0.39 2.91 0.04 -1.26 -4.94 135.00 130.92 3b9x s PRO 70 Ca -0.07 0.88 0.15 0.00 0.04 0.00 0.00 61.00 62.00 3b9x s PRO 70 Cb -0.01 -1.78 0.80 0.00 0.04 0.00 0.00 34.50 33.54 3b9x s PRO 70 CO -0.01 -2.40 1.85 -0.84 0.04 0.00 0.00 177.00 175.64 3b9x h ILE 71 N -1.67 1.17 0.00 0.56 3.07 -1.92 -3.42 117.51 115.31 3b9x h ILE 71 Ca -0.50 -1.20 0.00 0.00 1.55 0.00 0.00 64.86 64.71 3b9x h ILE 71 Cb 1.29 1.66 0.00 0.00 -0.27 0.00 0.00 36.82 39.50 3b9x h ILE 71 CO 0.53 0.33 -0.20 0.80 -1.05 0.00 0.00 178.15 178.57 3b9x n MET 72 N -4.02 0.00 -1.45 0.16 0.00 -1.26 -5.10 117.12 105.45 3b9x n MET 72 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.39 3b9x n MET 72 Cb 0.39 -0.21 0.13 0.00 0.00 0.00 0.00 33.22 33.53 3b9x n MET 72 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 175.97 174.99 3b9x s ARG 73 N -1.82 1.34 0.14 2.12 1.70 -1.26 -5.00 118.95 116.17 3b9x s ARG 73 Ca 0.00 0.49 -0.31 0.00 -0.47 0.00 0.00 55.73 55.43 3b9x s ARG 73 Cb 0.00 -1.85 -0.09 0.00 -0.57 0.00 0.00 34.95 32.45 3b9x s ARG 73 CO 0.00 -2.10 1.47 -0.65 -1.08 0.00 0.00 175.30 172.94 3b9x s GLN 74 N -5.16 4.27 0.47 3.89 -1.52 -1.26 -4.66 119.66 115.69 3b9x s GLN 74 Ca 0.63 2.21 -0.24 0.00 -1.95 0.00 0.00 55.36 56.00 3b9x s GLN 74 Cb -0.16 -3.20 -0.08 0.00 -0.22 0.00 0.00 33.01 29.35 3b9x s GLN 74 CO 0.55 -0.51 1.38 0.94 -0.25 0.00 0.00 175.29 177.39 3b9x n GLN 75 N 3.94 2.05 -4.11 2.91 7.27 -1.26 -5.03 117.38 123.14 3b9x n GLN 75 Ca 0.12 0.73 -0.15 0.00 0.07 0.00 0.00 57.00 57.78 3b9x n GLN 75 Cb 0.41 -2.57 -0.12 0.00 2.41 0.00 0.00 30.24 30.37 3b9x n GLN 75 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 3b9x s ILE 76 N -1.22 0.79 0.52 1.69 -4.36 -1.26 -5.15 121.20 112.21 3b9x s ILE 76 Ca 0.64 -1.19 0.01 0.00 -0.26 0.00 0.00 60.65 59.84 3b9x s ILE 76 Cb -0.45 -0.82 -0.01 0.00 1.25 0.00 0.00 42.46 42.43 3b9x s ILE 76 CO 0.55 -0.32 0.01 0.68 0.24 0.00 0.00 174.94 176.10 3b9x s VAL 77 N -1.36 1.04 -0.49 8.37 -7.23 -1.26 -4.82 120.40 114.66 3b9x s VAL 77 Ca -0.06 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.18 3b9x s VAL 77 Cb -0.10 -2.07 0.36 0.00 0.56 0.00 0.00 36.38 35.14 3b9x s VAL 77 CO 0.01 0.00 0.92 0.00 -0.31 0.00 0.00 175.10 175.72 3b9x n ALA 78 N -1.29 3.97 0.05 1.32 0.00 -0.03 -4.82 120.51 119.71 3b9x n ALA 78 Ca -0.21 -4.20 0.10 0.00 0.00 0.00 0.00 53.44 49.13 3b9x n ALA 78 Cb 0.67 -0.77 0.55 0.00 0.00 0.00 0.00 19.45 19.90 3b9x n ALA 78 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 3b9x h ASP 79 N 2.93 0.23 -0.60 0.00 2.03 -1.78 -2.20 116.42 117.02 3b9x h ASP 79 Ca 0.13 -0.00 0.04 0.00 -0.73 0.00 0.00 57.03 56.47 3b9x h ASP 79 Cb 0.73 -0.05 -0.04 0.00 -0.83 0.00 0.00 39.33 39.14 3b9x h ASP 79 CO 0.72 0.15 0.35 -0.55 -1.03 0.00 0.00 179.24 178.88 3b9x h ASN 80 N 0.26 0.54 0.29 4.15 -1.07 -1.87 0.33 115.58 118.20 3b9x h ASN 80 Ca 0.16 0.02 -0.34 0.00 0.07 0.00 0.00 56.30 56.21 3b9x h ASN 80 Cb 0.30 -0.10 0.02 0.00 -2.07 0.00 0.00 38.32 36.47 3b9x h ASN 80 CO -0.03 0.37 -1.58 0.40 0.07 0.00 0.00 177.43 176.65 3b9x h ILE 81 N 0.67 1.14 -0.03 6.14 1.08 -1.90 -3.41 117.51 121.20 3b9x h ILE 81 Ca 0.25 -2.67 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 3b9x h ILE 81 Cb 0.09 2.89 0.00 0.00 -3.07 0.00 0.00 36.82 36.73 3b9x h ILE 81 CO -0.13 0.84 0.00 1.41 -0.69 0.00 0.00 178.15 179.57 3b9x n HIS 82 N -3.62 0.03 -0.08 1.37 8.25 -0.84 -4.69 115.22 115.65 3b9x n HIS 82 Ca -0.19 -0.06 0.01 0.00 -0.26 0.00 0.00 57.72 57.21 3b9x n HIS 82 Cb 1.08 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 32.18 3b9x n HIS 82 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3b9x n GLY 83 N 0.32 -1.63 0.13 -1.41 0.00 0.11 -2.77 105.19 99.94 3b9x n GLY 83 Ca 0.04 -1.50 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 3b9x n GLY 83 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 3b9x h ASP 84 N -0.07 0.31 1.29 1.61 3.58 -1.95 -2.14 116.42 119.05 3b9x h ASP 84 Ca -0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3b9x h ASP 84 Cb 0.07 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.04 3b9x h ASP 84 CO 0.00 0.23 0.00 0.71 -2.88 0.00 0.00 179.24 177.30 3b9x h THR 85 N 0.37 0.00 0.00 2.25 1.35 -1.97 -3.47 112.91 111.44 3b9x h THR 85 Ca 0.10 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 3b9x h THR 85 Cb -0.04 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3b9x h THR 85 CO -0.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.86 3b9x n GLY 86 N 0.34 1.55 2.67 5.82 0.00 -0.81 -4.70 105.19 110.07 3b9x n GLY 86 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.95 3b9x n GLY 86 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3b9x n LEU 87 N 0.00 -0.52 -4.77 0.99 7.94 -1.11 -0.56 117.00 118.96 3b9x n LEU 87 Ca 0.00 -3.63 -0.40 0.00 -1.11 0.00 0.00 56.01 50.87 3b9x n LEU 87 Cb 0.00 0.26 -0.01 0.00 0.53 0.00 0.00 43.42 44.20 3b9x n LEU 87 CO 0.00 1.79 1.01 -1.81 -1.11 0.00 0.00 177.39 177.27 3b9x s ASP 88 N -2.00 6.44 0.00 1.96 1.01 -1.24 -4.46 116.67 118.39 3b9x s ASP 88 Ca 0.25 2.76 0.00 0.00 0.71 0.00 0.00 52.55 56.26 3b9x s ASP 88 Cb 0.42 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.70 3b9x s ASP 88 CO -0.04 -0.77 0.00 0.61 0.21 0.00 0.00 175.17 175.18 3b9x n GLY 89 N 0.67 0.61 3.77 0.21 0.00 -1.26 -4.73 105.19 104.45 3b9x n GLY 89 Ca 0.02 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 3b9x n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3b9x s PRO 90 N 0.00 3.20 0.15 1.61 0.04 -1.26 -4.87 135.00 133.87 3b9x s PRO 90 Ca 0.00 1.56 -0.23 0.00 0.04 0.00 0.00 61.00 62.37 3b9x s PRO 90 Cb 0.00 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 3b9x s PRO 90 CO 0.00 -0.96 0.71 0.08 0.04 0.00 0.00 177.00 176.87 3b9x s VAL 91 N -1.91 4.49 -0.02 -0.36 1.01 -1.26 -5.08 120.40 117.27 3b9x s VAL 91 Ca 0.71 1.51 0.02 0.00 0.00 0.00 0.00 61.98 64.22 3b9x s VAL 91 Cb -0.23 -4.03 0.01 0.00 0.00 0.00 0.00 36.38 32.13 3b9x s VAL 91 CO 0.31 0.48 -0.06 -0.36 0.00 0.00 0.00 175.10 175.47 3b9x s PHE 92 N -1.20 0.68 0.95 5.22 0.08 -1.26 -5.09 117.98 117.37 3b9x s PHE 92 Ca 0.35 -0.16 -0.12 0.00 0.12 0.00 0.00 56.93 57.13 3b9x s PHE 92 Cb -0.21 -0.53 0.16 0.00 -0.57 0.00 0.00 43.02 41.87 3b9x s PHE 92 CO 0.24 -0.10 1.09 -1.21 -0.10 0.00 0.00 175.22 175.13 3b9x s GLU 93 N 0.39 0.80 0.58 0.44 0.41 -1.26 -4.97 118.70 115.08 3b9x s GLU 93 Ca -0.05 0.86 -0.20 0.00 -0.41 0.00 0.00 54.97 55.16 3b9x s GLU 93 Cb -0.09 -1.75 -0.03 0.00 -1.78 0.00 0.00 34.13 30.47 3b9x s GLU 93 CO 0.00 -2.57 1.35 -2.14 -0.49 0.00 0.00 175.26 171.41 3b9x s PRO 94 N -4.84 2.92 0.08 0.39 0.02 -1.26 -4.87 135.00 127.44 3b9x s PRO 94 Ca 0.65 2.20 -0.31 0.00 0.02 0.00 0.00 61.00 63.56 3b9x s PRO 94 Cb -0.20 -2.12 -0.07 0.00 0.02 0.00 0.00 34.50 32.14 3b9x s PRO 94 CO 0.58 -1.35 1.34 -0.51 -0.33 0.00 0.00 177.00 176.73 3b9x s LEU 95 N -3.82 4.36 -0.18 -5.54 1.43 -1.26 -4.88 118.68 108.79 3b9x s LEU 95 Ca 0.76 2.20 0.16 0.00 -1.03 0.00 0.00 54.13 56.21 3b9x s LEU 95 Cb -0.40 -3.58 0.40 0.00 0.03 0.00 0.00 46.19 42.64 3b9x s LEU 95 CO 0.46 -0.62 1.27 0.35 0.23 0.00 0.00 176.35 178.04 3b9x n THR 96 N 4.09 2.13 -4.12 5.49 -2.24 -1.26 -5.00 114.28 113.36 3b9x n THR 96 Ca 0.11 -2.44 -0.11 0.00 -2.27 0.00 0.00 64.05 59.34 3b9x n THR 96 Cb 0.44 -0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.32 3b9x n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3b9x s ARG 97 N -2.99 1.15 0.15 -0.78 1.70 -1.26 -5.19 118.95 111.73 3b9x s ARG 97 Ca 0.37 -1.46 -0.12 0.00 -0.47 0.00 0.00 55.73 54.05 3b9x s ARG 97 Cb 0.33 0.30 0.01 0.00 -0.57 0.00 0.00 34.95 35.02 3b9x s ARG 97 CO 0.02 -0.39 0.35 1.14 -1.08 0.00 0.00 175.30 175.34 3b9x s GLN 98 N -4.08 1.14 0.34 3.89 -2.07 -1.26 -5.06 119.66 112.56 3b9x s GLN 98 Ca 0.29 -0.97 -0.29 0.00 -1.82 0.00 0.00 55.36 52.57 3b9x s GLN 98 Cb 0.06 0.42 -0.11 0.00 -1.09 0.00 0.00 33.01 32.29 3b9x s GLN 98 CO 0.07 -0.43 1.52 0.00 -1.32 0.00 0.00 175.29 175.13 3b9x n ALA 99 N -0.22 2.40 -1.07 2.60 0.00 -1.26 -4.76 120.51 118.21 3b9x n ALA 99 Ca -0.11 0.35 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 3b9x n ALA 99 Cb 0.63 -2.43 0.12 0.00 0.00 0.00 0.00 19.45 17.76 3b9x n ALA 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3b9x n GLU 100 N 1.13 0.10 0.09 0.00 -0.58 0.53 -4.93 120.64 116.97 3b9x n GLU 100 Ca 0.04 0.10 -0.07 0.00 -0.42 0.00 0.00 57.16 56.81 3b9x n GLU 100 Cb 0.38 -2.20 0.01 0.00 -0.57 0.00 0.00 31.44 29.06 3b9x n GLU 100 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3b9x h SER 101 N -0.94 0.15 -3.34 1.62 4.64 -1.94 -3.43 113.55 110.32 3b9x h SER 101 Ca -0.45 -0.12 -0.55 0.00 -0.47 0.00 0.00 61.79 60.20 3b9x h SER 101 Cb 1.31 -0.05 0.09 0.00 -0.31 0.00 0.00 62.40 63.44 3b9x h SER 101 CO 0.43 0.92 0.79 0.41 -0.87 0.00 0.00 176.83 178.51 3b9x n THR 102 N -3.63 1.32 -2.30 2.95 -1.04 -1.26 -4.96 114.28 105.35 3b9x n THR 102 Ca -0.02 -0.33 -0.38 0.00 -2.04 0.00 0.00 64.05 61.28 3b9x n THR 102 Cb 0.79 -1.87 -0.02 0.00 -1.82 0.00 0.00 70.33 67.41 3b9x n THR 102 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3b9x s HIS 103 N -0.36 3.05 0.29 -1.42 2.46 -1.26 -4.52 115.29 113.53 3b9x s HIS 103 Ca 0.61 1.55 0.01 0.00 0.47 0.00 0.00 55.06 57.71 3b9x s HIS 103 Cb -0.52 -3.38 0.55 0.00 -0.13 0.00 0.00 32.58 29.10 3b9x s HIS 103 CO 0.53 -1.31 1.86 0.00 -2.47 0.00 0.00 174.74 173.35 3b9x h ALA 104 N 2.54 1.53 -0.34 1.58 0.00 -1.25 -0.16 119.26 123.15 3b9x h ALA 104 Ca -0.49 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 3b9x h ALA 104 Cb 1.24 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3b9x h ALA 104 CO 0.62 0.26 0.05 0.28 0.00 0.00 0.00 179.25 180.46 3b9x h VAL 105 N 1.01 1.24 -0.26 0.00 2.07 -1.88 -1.31 116.25 117.11 3b9x h VAL 105 Ca 0.47 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 3b9x h VAL 105 Cb 0.41 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 3b9x h VAL 105 CO -0.23 0.28 0.07 0.50 0.02 0.00 0.00 177.57 178.22 3b9x h LYS 106 N 0.40 0.41 -0.96 1.57 3.64 -1.83 -2.50 116.57 117.30 3b9x h LYS 106 Ca 0.10 -0.09 0.17 0.00 -1.27 0.00 0.00 60.65 59.56 3b9x h LYS 106 Cb 0.36 -0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.03 3b9x h LYS 106 CO 0.01 0.49 0.56 -0.92 -2.27 0.00 0.00 179.45 177.32 3b9x h TYR 107 N 0.25 0.99 -0.27 1.91 3.20 -0.86 -0.60 116.97 121.58 3b9x h TYR 107 Ca 0.08 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.91 3b9x h TYR 107 Cb 0.26 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3b9x h TYR 107 CO 0.01 0.23 -0.14 0.82 -1.64 0.00 0.00 178.16 177.44 3b9x h ILE 108 N 0.74 1.30 0.75 1.81 2.04 -1.07 -1.84 117.51 121.24 3b9x h ILE 108 Ca 0.54 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 3b9x h ILE 108 Cb 0.81 1.52 0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3b9x h ILE 108 CO -0.37 0.39 -0.36 0.40 0.00 0.00 0.00 178.15 178.20 3b9x h ILE 109 N 0.31 0.14 -0.56 -0.67 2.04 -1.00 -1.81 117.51 115.96 3b9x h ILE 109 Ca 0.06 -0.19 0.04 0.00 1.00 0.00 0.00 64.86 65.78 3b9x h ILE 109 Cb 0.65 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 3b9x h ILE 109 CO 0.04 0.01 0.30 0.44 0.00 0.00 0.00 178.15 178.95 3b9x h ASP 110 N -1.17 0.45 -0.79 1.72 3.32 -1.21 0.58 116.42 119.33 3b9x h ASP 110 Ca -0.10 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.93 3b9x h ASP 110 Cb 0.79 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 3b9x h ASP 110 CO 0.17 0.31 0.33 0.74 -1.72 0.00 0.00 179.24 179.07 3b9x h THR 111 N 0.58 1.26 -0.15 0.35 2.02 -1.37 -0.50 112.91 115.10 3b9x h THR 111 Ca 0.24 -0.80 -0.10 0.00 0.77 0.00 0.00 66.41 66.51 3b9x h THR 111 Cb 0.12 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 66.83 3b9x h THR 111 CO -0.15 0.33 -0.32 -0.07 0.37 0.00 0.00 175.52 175.68 3b9x h LEU 112 N 1.16 0.53 -0.49 2.58 3.38 -1.00 -2.65 115.31 118.82 3b9x h LEU 112 Ca 0.27 -0.56 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3b9x h LEU 112 Cb 0.20 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3b9x h LEU 112 CO -0.02 1.00 0.29 0.24 0.09 0.00 0.00 178.44 180.03 3b9x h MET 113 N 0.09 0.56 0.00 1.13 2.86 -0.80 -2.33 114.93 116.45 3b9x h MET 113 Ca 0.00 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3b9x h MET 113 Cb 0.92 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.45 3b9x h MET 113 CO 0.07 0.37 -0.05 0.00 1.06 0.00 0.00 176.91 178.36 3b9x h ALA 114 N 1.22 1.04 -1.98 6.32 0.00 -1.15 -3.46 119.26 121.25 3b9x h ALA 114 Ca 0.20 -0.04 -0.42 0.00 0.00 0.00 0.00 54.91 54.64 3b9x h ALA 114 Cb 0.02 -0.01 0.18 0.00 0.00 0.00 0.00 17.79 17.99 3b9x h ALA 114 CO -0.09 0.06 0.25 -1.54 0.00 0.00 0.00 179.25 177.92 3b9x s SER 115 N -5.73 1.66 -0.06 0.00 1.04 -0.88 -4.98 113.70 104.75 3b9x s SER 115 Ca -0.01 0.44 0.18 0.00 0.48 0.00 0.00 55.95 57.05 3b9x s SER 115 Cb 0.10 -0.57 0.61 0.00 0.10 0.00 0.00 66.02 66.26 3b9x s SER 115 CO 0.54 -3.65 1.52 -0.67 0.98 0.00 0.00 173.24 171.96 3b9x n ASP 116 N -4.41 4.11 0.00 7.02 2.03 -1.26 -4.94 116.55 119.10 3b9x n ASP 116 Ca 0.15 -2.27 0.00 0.00 0.52 0.00 0.00 54.79 53.19 3b9x n ASP 116 Cb 0.60 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 3b9x n ASP 116 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3b9x n GLY 117 N 1.04 0.49 0.69 0.27 0.00 -1.26 -4.96 105.19 101.46 3b9x n GLY 117 Ca 0.22 -0.83 0.09 0.00 0.00 0.00 0.00 46.02 45.50 3b9x n GLY 117 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3b9x n ASP 118 N 1.50 2.43 -4.73 1.61 2.03 -1.26 -3.39 116.55 114.75 3b9x n ASP 118 Ca 0.00 -1.72 -0.40 0.00 0.52 0.00 0.00 54.79 53.20 3b9x n ASP 118 Cb 0.00 -0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.35 3b9x n ASP 118 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3b9x s ILE 119 N -1.43 4.90 -0.11 5.18 1.01 -1.26 -4.51 121.20 124.98 3b9x s ILE 119 Ca 0.20 1.55 -0.10 0.00 0.00 0.00 0.00 60.65 62.30 3b9x s ILE 119 Cb 0.14 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.48 3b9x s ILE 119 CO 0.21 0.30 0.23 -0.89 0.00 0.00 0.00 174.94 174.80 3b9x s THR 120 N 0.39 5.35 -0.05 2.92 2.01 -0.55 -2.33 115.64 123.38 3b9x s THR 120 Ca 0.38 0.41 -0.13 0.00 0.31 0.00 0.00 61.69 62.67 3b9x s THR 120 Cb -0.19 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 3b9x s THR 120 CO 0.21 0.55 0.34 -0.76 -0.69 0.00 0.00 174.62 174.27 3b9x s LEU 121 N -0.65 4.42 -0.54 4.42 1.43 -0.87 -1.95 118.68 124.94 3b9x s LEU 121 Ca 0.17 0.80 0.04 0.00 -1.03 0.00 0.00 54.13 54.10 3b9x s LEU 121 Cb -0.13 -2.45 0.16 0.00 0.03 0.00 0.00 46.19 43.80 3b9x s LEU 121 CO 0.06 0.31 0.38 -0.69 0.23 0.00 0.00 176.35 176.63 3b9x s VAL 122 N -0.82 1.65 -0.02 -1.59 1.01 -0.35 -1.30 120.40 118.98 3b9x s VAL 122 Ca 0.21 -3.29 -0.24 0.00 0.00 0.00 0.00 61.98 58.66 3b9x s VAL 122 Cb -0.15 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3b9x s VAL 122 CO 0.10 -1.06 0.74 -2.16 0.00 0.00 0.00 175.10 172.72 3b9x s PRO 123 N -0.49 4.46 -0.01 2.72 0.05 -1.22 -1.60 135.00 138.91 3b9x s PRO 123 Ca 0.26 0.97 0.01 0.00 0.05 0.00 0.00 61.00 62.29 3b9x s PRO 123 Cb -0.07 -3.41 0.02 0.00 0.05 0.00 0.00 34.50 31.09 3b9x s PRO 123 CO -0.14 0.15 0.97 1.33 0.05 0.00 0.00 177.00 179.36 3b9x n VAL 124 N 3.39 0.14 -3.69 -0.36 0.24 -0.40 -0.67 118.33 116.98 3b9x n VAL 124 Ca -0.01 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 3b9x n VAL 124 Cb 0.51 0.49 0.00 0.00 -1.47 0.00 0.00 33.84 33.37 3b9x n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3b9x n GLY 125 N -0.10 5.04 3.48 7.63 0.00 -1.25 -4.67 105.19 115.31 3b9x n GLY 125 Ca 0.01 -1.98 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 3b9x n GLY 125 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3b9x n PRO 126 N 0.00 -0.20 -0.62 1.61 -0.02 -1.26 -4.87 135.00 129.64 3b9x n PRO 126 Ca 0.00 -0.01 0.08 0.00 -2.02 0.00 0.00 63.50 61.56 3b9x n PRO 126 Cb 0.00 -1.96 0.34 0.00 -0.02 0.00 0.00 33.50 31.86 3b9x n PRO 126 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3b9x n LEU 127 N -1.71 4.64 -0.23 2.45 4.77 -1.26 -4.59 117.00 121.07 3b9x n LEU 127 Ca 0.08 -2.34 0.03 0.00 -0.03 0.00 0.00 56.01 53.75 3b9x n LEU 127 Cb 0.53 -0.58 0.13 0.00 -2.33 0.00 0.00 43.42 41.16 3b9x n LEU 127 CO 0.50 0.74 0.82 0.28 -1.33 0.00 0.00 177.39 178.40 3b9x h SER 128 N 3.82 -0.34 -0.42 -1.43 0.02 -1.90 -0.70 113.55 112.60 3b9x h SER 128 Ca 0.00 0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 61.06 3b9x h SER 128 Cb 1.46 0.32 -0.02 0.00 0.14 0.00 0.00 62.40 64.29 3b9x h SER 128 CO 0.26 -0.15 0.01 0.78 -1.14 0.00 0.00 176.83 176.59 3b9x h ASN 129 N 0.10 0.77 -0.02 3.07 2.35 -1.94 -1.96 115.58 117.96 3b9x h ASN 129 Ca 0.37 -0.18 -0.21 0.00 -0.55 0.00 0.00 56.30 55.73 3b9x h ASN 129 Cb 0.62 -0.20 0.02 0.00 0.05 0.00 0.00 38.32 38.80 3b9x h ASN 129 CO -0.61 0.83 -0.79 0.40 -1.65 0.00 0.00 177.43 175.61 3b9x h ILE 130 N 0.75 1.35 -0.23 2.81 1.08 -1.70 -2.41 117.51 119.16 3b9x h ILE 130 Ca 0.15 -2.13 -0.13 0.00 -0.39 0.00 0.00 64.86 62.36 3b9x h ILE 130 Cb 0.44 2.45 -0.01 0.00 -3.07 0.00 0.00 36.82 36.62 3b9x h ILE 130 CO 0.02 0.64 -0.41 0.00 -0.69 0.00 0.00 178.15 177.71 3b9x h ALA 131 N 0.38 0.86 -0.25 1.87 0.00 -1.13 -1.12 119.26 119.86 3b9x h ALA 131 Ca -0.09 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.29 3b9x h ALA 131 Cb 1.47 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3b9x h ALA 131 CO 0.16 0.64 -0.19 0.28 0.00 0.00 0.00 179.25 180.14 3b9x h VAL 132 N 0.45 1.31 -0.35 0.00 2.07 -1.36 -2.42 116.25 115.94 3b9x h VAL 132 Ca 0.04 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.23 3b9x h VAL 132 Cb 0.91 1.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3b9x h VAL 132 CO 0.08 0.41 0.17 0.00 0.02 0.00 0.00 177.57 178.25 3b9x h ALA 133 N 0.70 0.45 -0.88 1.67 0.00 -1.40 -0.02 119.26 119.78 3b9x h ALA 133 Ca 0.05 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3b9x h ALA 133 Cb 0.72 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3b9x h ALA 133 CO 0.05 0.02 0.57 0.52 0.00 0.00 0.00 179.25 180.41 3b9x h MET 134 N 0.43 1.09 0.01 0.00 2.86 -1.14 -0.57 114.93 117.61 3b9x h MET 134 Ca 0.12 -0.07 -0.22 0.00 -2.06 0.00 0.00 59.70 57.48 3b9x h MET 134 Cb 0.12 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3b9x h MET 134 CO -0.01 0.72 -1.07 0.00 1.06 0.00 0.00 176.91 177.61 3b9x h ARG 135 N 1.12 0.01 -0.07 1.72 2.47 -1.37 -2.54 114.38 115.72 3b9x h ARG 135 Ca 0.35 -0.02 -0.21 0.00 -1.26 0.00 0.00 59.98 58.84 3b9x h ARG 135 Cb -0.02 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 3b9x h ARG 135 CO -0.11 0.97 -0.81 1.98 0.56 0.00 0.00 179.97 182.56 3b9x h MET 136 N 0.00 0.52 -2.51 0.04 4.05 -0.65 -3.39 114.93 112.99 3b9x h MET 136 Ca -0.04 -0.46 -0.59 0.00 -0.28 0.00 0.00 59.70 58.33 3b9x h MET 136 Cb 1.80 0.11 -0.39 0.00 -0.80 0.00 0.00 31.60 32.32 3b9x h MET 136 CO 0.13 1.09 -0.90 -1.14 0.23 0.00 0.00 176.91 176.32 3b9x s GLN 137 N -3.55 0.82 0.65 0.39 2.00 -0.25 -4.99 119.66 114.73 3b9x s GLN 137 Ca -0.07 -1.81 0.33 0.00 -2.00 0.00 0.00 55.36 51.81 3b9x s GLN 137 Cb 0.09 -1.47 1.79 0.00 0.80 0.00 0.00 33.01 34.23 3b9x s GLN 137 CO 0.87 -1.30 2.03 -1.35 -0.50 0.00 0.00 175.29 175.04 3b9x h PRO 138 N 6.26 0.00 0.00 1.67 0.11 -1.65 -2.52 132.00 135.87 3b9x h PRO 138 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3b9x h PRO 138 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3b9x h PRO 138 CO 0.34 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.13 3b9x n ALA 139 N -2.01 1.72 0.27 -0.75 0.00 -1.26 -2.33 120.51 116.16 3b9x n ALA 139 Ca -0.01 0.03 0.15 0.00 0.00 0.00 0.00 53.44 53.61 3b9x n ALA 139 Cb 0.33 -1.35 0.72 0.00 0.00 0.00 0.00 19.45 19.15 3b9x n ALA 139 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.50 176.66 3b9x h ILE 140 N 0.00 0.28 0.11 0.00 3.07 -1.80 -3.37 117.51 115.80 3b9x h ILE 140 Ca 0.00 -0.59 0.01 0.00 1.55 0.00 0.00 64.86 65.83 3b9x h ILE 140 Cb 0.36 1.46 -0.02 0.00 -0.27 0.00 0.00 36.82 38.35 3b9x h ILE 140 CO 0.00 0.08 -0.18 -0.07 -1.05 0.00 0.00 178.15 176.94 3b9x h LEU 141 N 0.00 -0.49 -1.84 0.16 3.38 -1.69 -0.20 115.31 114.63 3b9x h LEU 141 Ca -0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3b9x h LEU 141 Cb 0.45 0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 3b9x h LEU 141 CO 0.01 -0.26 -0.05 1.55 0.09 0.00 0.00 178.44 179.79 3b9x h PRO 142 N -0.35 0.00 0.00 1.13 0.13 -1.83 -2.83 132.00 128.25 3b9x h PRO 142 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 3b9x h PRO 142 Cb 0.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.49 3b9x h PRO 142 CO -0.09 0.05 0.00 0.87 -0.23 0.00 0.00 178.00 178.60 3b9x h LYS 143 N 0.00 0.00 -6.25 0.86 1.79 -1.24 -3.43 116.57 108.31 3b9x h LYS 143 Ca -0.00 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.89 3b9x h LYS 143 Cb 0.39 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.96 3b9x h LYS 143 CO 0.01 0.00 0.70 0.42 -1.08 0.00 0.00 179.45 179.50 3b9x s ILE 144 N -3.62 4.49 0.20 1.86 1.01 -0.95 -4.15 121.20 120.05 3b9x s ILE 144 Ca 0.02 1.25 -0.11 0.00 0.00 0.00 0.00 60.65 61.81 3b9x s ILE 144 Cb 0.09 -4.41 0.13 0.00 0.01 0.00 0.00 42.46 38.28 3b9x s ILE 144 CO 0.53 -0.64 1.84 -0.09 0.00 0.00 0.00 174.94 176.58 3b9x h ARG 145 N 8.60 0.79 -1.72 2.79 2.43 -1.47 -3.45 114.38 122.36 3b9x h ARG 145 Ca -0.23 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.00 3b9x h ARG 145 Cb 1.07 -0.18 -0.21 0.00 -0.42 0.00 0.00 29.97 30.23 3b9x h ARG 145 CO 1.02 0.52 0.57 -2.00 -1.51 0.00 0.00 179.97 178.57 3b9x s GLU 146 N -6.13 0.61 -0.19 0.20 2.12 -1.26 -4.61 118.70 109.44 3b9x s GLU 146 Ca -0.13 0.01 -0.01 0.00 0.36 0.00 0.00 54.97 55.19 3b9x s GLU 146 Cb 0.15 0.28 0.00 0.00 0.26 0.00 0.00 34.13 34.82 3b9x s GLU 146 CO 0.76 -0.22 -0.12 0.42 -0.54 0.00 0.00 175.26 175.57 3b9x s ILE 147 N -1.72 2.78 -0.37 -3.70 1.01 0.32 -2.05 121.20 117.47 3b9x s ILE 147 Ca 0.01 -0.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 3b9x s ILE 147 Cb -0.01 -2.22 0.06 0.00 0.01 0.00 0.00 42.46 40.30 3b9x s ILE 147 CO -0.02 0.48 0.16 -0.69 0.00 0.00 0.00 174.94 174.88 3b9x s VAL 148 N 1.30 3.79 0.11 2.92 1.01 -0.42 -0.25 120.40 128.86 3b9x s VAL 148 Ca 0.04 -1.38 0.08 0.00 0.00 0.00 0.00 61.98 60.72 3b9x s VAL 148 Cb -0.14 -3.27 -0.04 0.00 0.00 0.00 0.00 36.38 32.93 3b9x s VAL 148 CO -0.06 -0.36 -0.16 -1.48 0.00 0.00 0.00 175.10 173.03 3b9x s LEU 149 N 1.36 2.77 -0.30 3.92 0.05 -0.09 -3.44 118.68 122.95 3b9x s LEU 149 Ca 0.01 -0.51 -0.12 0.00 0.05 0.00 0.00 54.13 53.56 3b9x s LEU 149 Cb -0.21 -1.61 -0.04 0.00 -2.05 0.00 0.00 46.19 42.28 3b9x s LEU 149 CO 0.01 0.18 0.23 -0.32 -0.55 0.00 0.00 176.35 175.91 3b9x s MET 150 N -2.11 3.83 0.00 1.48 -2.45 0.16 -0.87 119.30 119.34 3b9x s MET 150 Ca 0.18 -0.36 0.00 0.00 -1.25 0.00 0.00 55.69 54.27 3b9x s MET 150 Cb -0.11 -3.70 0.00 0.00 1.25 0.00 0.00 34.83 32.27 3b9x s MET 150 CO 0.11 -0.27 0.00 0.41 1.05 0.00 0.00 175.02 176.32 3b9x n GLY 151 N 5.02 2.32 4.10 2.11 0.00 -0.95 -4.55 105.19 113.24 3b9x n GLY 151 Ca -0.13 -0.80 0.03 0.00 0.00 0.00 0.00 46.02 45.13 3b9x n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b9x n GLY 152 N -0.66 -1.88 3.48 -0.02 0.00 -1.26 -3.71 105.19 101.13 3b9x n GLY 152 Ca 0.00 -1.33 0.02 0.00 0.00 0.00 0.00 46.02 44.72 3b9x n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b9x s ALA 153 N -1.40 -2.84 -0.35 4.61 0.00 -1.26 -1.40 121.76 119.11 3b9x s ALA 153 Ca 0.00 1.94 0.21 0.00 0.00 0.00 0.00 51.96 54.11 3b9x s ALA 153 Cb 0.00 -2.07 0.24 0.00 0.00 0.00 0.00 23.12 21.29 3b9x s ALA 153 CO 0.00 -0.57 1.50 0.10 0.00 0.00 0.00 175.76 176.80 3b9x h TYR 154 N 5.96 0.00 0.00 0.00 -0.00 -1.96 -3.41 116.97 117.56 3b9x h TYR 154 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.51 3b9x h TYR 154 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.88 3b9x h TYR 154 CO 0.19 0.12 0.00 0.41 -0.00 0.00 0.00 178.16 178.88 3b9x n GLY 155 N 1.14 0.43 3.77 0.10 0.00 -1.26 -4.83 105.19 104.55 3b9x n GLY 155 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3b9x n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b9x s THR 156 N 2.89 4.66 0.00 2.61 2.01 -1.26 -4.92 115.64 121.63 3b9x s THR 156 Ca 0.00 1.49 0.00 0.00 0.31 0.00 0.00 61.69 63.49 3b9x s THR 156 Cb 0.00 -4.04 0.00 0.00 0.01 0.00 0.00 72.50 68.47 3b9x s THR 156 CO 0.00 0.46 0.00 0.61 -0.69 0.00 0.00 174.62 175.00 3b9x n GLY 157 N 2.03 -1.05 0.85 4.40 0.00 -0.43 -4.87 105.19 106.13 3b9x n GLY 157 Ca -0.06 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.27 3b9x n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3b9x n ASN 158 N -2.46 1.20 -0.33 1.61 0.23 -0.54 -4.75 115.26 110.23 3b9x n ASN 158 Ca 0.00 0.17 0.01 0.00 -0.53 0.00 0.00 54.58 54.23 3b9x n ASN 158 Cb 0.00 -0.40 0.15 0.00 -2.08 0.00 0.00 39.78 37.46 3b9x n ASN 158 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 3b9x h PHE 159 N -0.20 1.07 -3.18 -2.53 3.57 -1.86 -3.42 116.94 110.38 3b9x h PHE 159 Ca -0.01 0.03 -0.42 0.00 3.53 0.00 0.00 57.97 61.10 3b9x h PHE 159 Cb 0.29 -0.35 -0.14 0.00 2.79 0.00 0.00 35.95 38.54 3b9x h PHE 159 CO -0.08 0.54 -0.63 0.95 -2.23 0.00 0.00 178.31 176.86 3b9x s THR 160 N -6.05 1.04 0.59 4.41 -4.23 -1.07 -5.01 115.64 105.31 3b9x s THR 160 Ca -0.13 -2.02 0.28 0.00 -1.18 0.00 0.00 61.69 58.65 3b9x s THR 160 Cb 0.19 -2.59 0.36 0.00 1.34 0.00 0.00 72.50 71.80 3b9x s THR 160 CO 0.80 -0.13 2.15 -0.65 -0.54 0.00 0.00 174.62 176.24 3b9x h PRO 161 N 2.30 0.00 0.00 3.99 0.11 -1.85 -3.06 132.00 133.49 3b9x h PRO 161 Ca -0.39 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.44 3b9x h PRO 161 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 3b9x h PRO 161 CO 0.66 0.00 -1.97 0.43 -0.21 0.00 0.00 178.00 176.91 3b9x n SER 162 N -3.85 0.43 -4.14 -2.05 7.64 -1.26 -1.31 113.62 109.07 3b9x n SER 162 Ca 0.00 0.20 -0.23 0.00 1.01 0.00 0.00 58.87 59.85 3b9x n SER 162 Cb 0.25 0.60 -0.15 0.00 -1.01 0.00 0.00 64.21 63.90 3b9x n SER 162 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3b9x s ALA 163 N -2.69 1.31 0.22 -0.43 0.00 -1.16 -4.36 121.76 114.67 3b9x s ALA 163 Ca -0.07 -0.72 -0.10 0.00 0.00 0.00 0.00 51.96 51.08 3b9x s ALA 163 Cb 0.08 -0.31 -0.07 0.00 0.00 0.00 0.00 23.12 22.81 3b9x s ALA 163 CO 0.83 0.31 0.54 -2.00 0.00 0.00 0.00 175.76 175.45 3b9x s GLU 164 N -0.51 3.80 0.12 0.00 -6.30 -1.26 -1.46 118.70 113.09 3b9x s GLU 164 Ca 0.06 0.27 -0.24 0.00 -2.50 0.00 0.00 54.97 52.56 3b9x s GLU 164 Cb -0.06 -2.66 -0.06 0.00 0.00 0.00 0.00 34.13 31.35 3b9x s GLU 164 CO -0.00 0.33 1.66 0.35 0.02 0.00 0.00 175.26 177.62 3b9x h PHE 165 N 2.58 -0.47 -0.99 5.30 3.57 -1.95 -0.95 116.94 124.03 3b9x h PHE 165 Ca -0.47 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.22 3b9x h PHE 165 Cb 1.17 0.21 -0.09 0.00 2.79 0.00 0.00 35.95 40.03 3b9x h PHE 165 CO 0.62 -0.26 0.61 -0.91 -2.23 0.00 0.00 178.31 176.14 3b9x h ASN 166 N -0.29 0.78 0.01 0.41 2.35 -1.90 0.69 115.58 117.63 3b9x h ASN 166 Ca 0.06 0.07 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3b9x h ASN 166 Cb 0.37 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3b9x h ASN 166 CO -0.18 0.33 -0.22 0.40 -1.65 0.00 0.00 177.43 176.10 3b9x h ILE 167 N 0.78 1.60 -0.97 2.81 1.08 -1.79 -3.33 117.51 117.69 3b9x h ILE 167 Ca 0.54 -2.04 0.16 0.00 -0.39 0.00 0.00 64.86 63.13 3b9x h ILE 167 Cb 0.81 2.92 -0.09 0.00 -3.07 0.00 0.00 36.82 37.39 3b9x h ILE 167 CO -0.32 0.55 0.61 0.15 -0.69 0.00 0.00 178.15 178.46 3b9x h PHE 168 N -0.61 0.99 0.00 1.37 3.57 -0.87 -1.60 116.94 119.79 3b9x h PHE 168 Ca -0.03 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3b9x h PHE 168 Cb 1.03 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.46 3b9x h PHE 168 CO 0.20 0.30 -0.01 0.00 -2.23 0.00 0.00 178.31 176.57 3b9x h ALA 169 N 1.60 1.00 -1.28 2.41 0.00 -0.97 -3.37 119.26 118.66 3b9x h ALA 169 Ca 0.52 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 55.18 3b9x h ALA 169 Cb 0.79 -0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.37 3b9x h ALA 169 CO -0.29 0.02 -0.59 0.34 0.00 0.00 0.00 179.25 178.72 3b9x s ASP 170 N -5.77 -0.87 0.28 0.00 -1.08 -0.81 -4.73 116.67 103.69 3b9x s ASP 170 Ca 0.02 -1.99 0.00 0.00 -0.52 0.00 0.00 52.55 50.06 3b9x s ASP 170 Cb 0.09 1.43 0.40 0.00 -1.46 0.00 0.00 42.92 43.38 3b9x s ASP 170 CO 0.56 -0.08 1.76 -0.65 0.52 0.00 0.00 175.17 177.29 3b9x h PRO 171 N 5.17 0.65 -0.33 4.34 0.11 -1.48 -2.03 132.00 138.43 3b9x h PRO 171 Ca 0.10 -0.19 -0.06 0.00 0.11 0.00 0.00 66.00 65.96 3b9x h PRO 171 Cb 1.07 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 3b9x h PRO 171 CO 0.08 0.73 -0.02 0.93 -0.21 0.00 0.00 178.00 179.52 3b9x h GLU 172 N 0.60 0.59 -0.66 1.05 3.07 -1.95 0.15 114.58 117.43 3b9x h GLU 172 Ca 0.11 -0.19 0.08 0.00 -0.50 0.00 0.00 59.36 58.85 3b9x h GLU 172 Cb 0.51 -0.05 -0.06 0.00 -0.84 0.00 0.00 28.75 28.30 3b9x h GLU 172 CO 0.03 0.73 0.32 0.00 -1.40 0.00 0.00 179.01 178.69 3b9x h ALA 173 N 0.84 0.88 -0.73 3.43 0.00 -1.87 -1.74 119.26 120.06 3b9x h ALA 173 Ca 0.09 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3b9x h ALA 173 Cb 0.47 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3b9x h ALA 173 CO 0.02 -0.06 0.44 0.00 0.00 0.00 0.00 179.25 179.66 3b9x h ALA 174 N 1.39 0.93 -0.37 0.00 0.00 -0.61 -2.32 119.26 118.28 3b9x h ALA 174 Ca 0.31 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3b9x h ALA 174 Cb 0.30 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3b9x h ALA 174 CO -0.24 0.40 0.13 -0.09 0.00 0.00 0.00 179.25 179.45 3b9x h ARG 175 N 1.00 0.53 0.11 0.00 9.65 -0.05 -0.76 114.38 124.86 3b9x h ARG 175 Ca 0.26 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.07 3b9x h ARG 175 Cb -0.04 -0.10 0.00 0.00 -1.39 0.00 0.00 29.97 28.45 3b9x h ARG 175 CO -0.05 0.45 -0.05 0.28 2.80 0.00 0.00 179.97 183.40 3b9x h VAL 176 N 0.52 0.95 -0.58 0.20 2.07 -0.81 -2.79 116.25 115.81 3b9x h VAL 176 Ca 0.13 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.45 3b9x h VAL 176 Cb 0.13 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3b9x h VAL 176 CO -0.01 0.06 0.34 0.58 0.02 0.00 0.00 177.57 178.56 3b9x h VAL 177 N -0.26 1.03 0.00 2.57 2.07 -0.97 -2.29 116.25 118.40 3b9x h VAL 177 Ca -0.02 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3b9x h VAL 177 Cb 0.21 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3b9x h VAL 177 CO 0.03 0.12 0.00 -0.26 0.02 0.00 0.00 177.57 177.48 3b9x h PHE 178 N 0.66 0.00 -0.65 1.57 0.04 -1.18 -2.48 116.94 114.89 3b9x h PHE 178 Ca 0.24 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.01 3b9x h PHE 178 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3b9x h PHE 178 CO -0.07 0.00 0.00 0.25 -0.60 0.00 0.00 178.31 177.89 3b9x n THR 179 N -2.64 0.96 0.24 -1.55 -2.24 -1.05 -4.62 114.28 103.38 3b9x n THR 179 Ca 0.04 -0.98 0.13 0.00 -2.27 0.00 0.00 64.05 60.97 3b9x n THR 179 Cb 0.44 0.54 0.51 0.00 -2.10 0.00 0.00 70.33 69.72 3b9x n THR 179 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3b9x h SER 180 N 3.96 0.00 0.00 3.42 4.64 -0.93 -3.47 113.55 121.17 3b9x h SER 180 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3b9x h SER 180 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 3b9x h SER 180 CO 0.00 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.68 3b9x n GLY 181 N 0.23 0.81 3.78 -0.77 0.00 -1.26 -5.03 105.19 102.94 3b9x n GLY 181 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3b9x n GLY 181 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3b9x s VAL 182 N -3.38 3.95 0.12 1.61 1.01 -1.26 -4.99 120.40 117.45 3b9x s VAL 182 Ca 0.00 1.59 -0.32 0.00 0.00 0.00 0.00 61.98 63.25 3b9x s VAL 182 Cb 0.00 -3.87 -0.12 0.00 0.00 0.00 0.00 36.38 32.39 3b9x s VAL 182 CO 0.00 0.11 1.76 -2.65 0.00 0.00 0.00 175.10 174.31 3b9x n PRO 183 N 0.36 2.54 -5.17 2.72 -0.02 -1.26 -4.89 135.00 129.27 3b9x n PRO 183 Ca 0.03 0.92 -0.31 0.00 -2.02 0.00 0.00 63.50 62.11 3b9x n PRO 183 Cb 0.49 -2.77 -0.15 0.00 -0.02 0.00 0.00 33.50 31.05 3b9x n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3b9x s LEU 184 N 2.19 2.25 -0.09 2.45 1.43 -1.26 -0.52 118.68 125.12 3b9x s LEU 184 Ca 0.82 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 3b9x s LEU 184 Cb -0.57 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.26 3b9x s LEU 184 CO 0.39 0.32 -0.18 -0.69 0.23 0.00 0.00 176.35 176.42 3b9x s VAL 185 N -0.65 1.66 -0.25 -1.59 1.01 0.65 -1.42 120.40 119.81 3b9x s VAL 185 Ca 0.11 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.32 3b9x s VAL 185 Cb -0.10 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.85 3b9x s VAL 185 CO -0.00 0.47 -0.09 -0.32 0.00 0.00 0.00 175.10 175.16 3b9x s MET 186 N 0.62 2.67 -0.77 2.72 0.00 0.60 -0.91 119.30 124.22 3b9x s MET 186 Ca -0.14 -1.08 -0.18 0.00 0.00 0.00 0.00 55.69 54.29 3b9x s MET 186 Cb -0.16 -2.91 0.14 0.00 0.00 0.00 0.00 34.83 31.89 3b9x s MET 186 CO 0.04 -0.43 0.90 -1.64 0.00 0.00 0.00 175.02 173.88 3b9x s MET 187 N 1.26 3.38 0.77 4.11 -1.94 -0.05 -0.62 119.30 126.20 3b9x s MET 187 Ca -0.02 -1.70 -0.04 0.00 -1.71 0.00 0.00 55.69 52.23 3b9x s MET 187 Cb -0.17 -4.54 0.14 0.00 2.01 0.00 0.00 34.83 32.27 3b9x s MET 187 CO -0.06 -1.60 1.06 0.20 -0.01 0.00 0.00 175.02 174.61 3b9x s GLY 188 N 3.32 1.76 0.57 -0.03 0.00 -1.24 -2.25 107.32 109.45 3b9x s GLY 188 Ca 0.22 -1.64 0.29 0.00 0.00 0.00 0.00 44.72 43.59 3b9x s GLY 188 CO -0.03 -1.03 2.19 1.41 0.00 0.00 0.00 173.10 175.65 3b9x h LEU 189 N -0.74 0.00 -0.71 0.66 3.38 -1.49 -1.03 115.31 115.38 3b9x h LEU 189 Ca -0.38 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3b9x h LEU 189 Cb 1.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.98 3b9x h LEU 189 CO 0.40 0.04 0.39 0.44 0.09 0.00 0.00 178.44 179.80 3b9x h ASP 190 N 0.00 0.88 0.01 -0.43 3.32 -1.88 -1.05 116.42 117.27 3b9x h ASP 190 Ca -0.00 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3b9x h ASP 190 Cb 0.11 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.44 3b9x h ASP 190 CO 0.01 0.72 -0.00 0.25 -1.72 0.00 0.00 179.24 178.49 3b9x h LEU 191 N 0.98 -0.01 -1.27 1.55 6.46 -1.62 -3.41 115.31 117.99 3b9x h LEU 191 Ca 0.25 -0.69 -0.05 0.00 -0.12 0.00 0.00 57.88 57.27 3b9x h LEU 191 Cb 0.03 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 3b9x h LEU 191 CO -0.04 0.83 -0.25 0.71 -0.62 0.00 0.00 178.44 179.07 3b9x h THR 192 N -0.99 0.69 0.00 1.05 1.35 -1.18 -1.97 112.91 111.86 3b9x h THR 192 Ca -0.00 -1.10 -0.01 0.00 -0.55 0.00 0.00 66.41 64.75 3b9x h THR 192 Cb 0.69 1.70 -0.00 0.00 -1.73 0.00 0.00 68.15 68.82 3b9x h THR 192 CO 0.00 0.25 -0.07 0.78 -0.25 0.00 0.00 175.52 176.23 3b9x h ASN 193 N 0.00 0.00 0.59 5.36 2.35 -1.42 -2.24 115.58 120.22 3b9x h ASN 193 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3b9x h ASN 193 Cb 0.68 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.05 3b9x h ASN 193 CO 0.03 0.07 0.00 1.56 -1.65 0.00 0.00 177.43 177.44 3b9x h GLN 194 N 0.00 0.00 -1.25 0.81 4.20 -1.57 -3.26 115.11 114.03 3b9x h GLN 194 Ca -0.00 0.00 -0.50 0.00 0.06 0.00 0.00 58.65 58.21 3b9x h GLN 194 Cb 0.20 0.00 -0.22 0.00 0.30 0.00 0.00 27.48 27.76 3b9x h GLN 194 CO 0.01 0.00 0.65 0.25 -0.67 0.00 0.00 178.83 179.07 3b9x n THR 195 N -2.69 3.21 -1.72 -0.54 -2.24 -0.84 -4.97 114.28 104.49 3b9x n THR 195 Ca 0.00 -2.29 -0.42 0.00 -2.27 0.00 0.00 64.05 59.07 3b9x n THR 195 Cb 0.20 -1.24 -0.03 0.00 -2.10 0.00 0.00 70.33 67.16 3b9x n THR 195 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3b9x n VAL 196 N -0.30 0.24 -3.41 2.28 0.24 -1.23 -3.04 118.33 113.11 3b9x n VAL 196 Ca 0.47 -0.06 -0.44 0.00 -2.04 0.00 0.00 64.34 62.26 3b9x n VAL 196 Cb 0.63 -1.98 -0.03 0.00 -1.47 0.00 0.00 33.84 30.99 3b9x n VAL 196 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3b9x s THR 198 N -0.18 3.60 0.42 0.00 -4.23 -1.26 -3.89 115.64 110.10 3b9x s THR 198 Ca 0.20 0.52 0.23 0.00 -1.18 0.00 0.00 61.69 61.46 3b9x s THR 198 Cb -0.12 -3.30 0.43 0.00 1.34 0.00 0.00 72.50 70.85 3b9x s THR 198 CO -0.08 -0.68 1.75 -0.65 -0.54 0.00 0.00 174.62 174.42 3b9x h PRO 199 N -0.85 0.29 -0.61 3.99 0.11 -1.97 -0.85 132.00 132.12 3b9x h PRO 199 Ca -0.45 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 3b9x h PRO 199 Cb 1.24 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3b9x h PRO 199 CO 0.59 0.19 0.03 0.38 -0.21 0.00 0.00 178.00 178.98 3b9x h ASP 200 N 0.29 1.00 -0.62 -2.05 2.03 -1.99 -0.93 116.42 114.15 3b9x h ASP 200 Ca 0.62 -0.26 -0.05 0.00 -0.73 0.00 0.00 57.03 56.61 3b9x h ASP 200 Cb 1.77 -0.27 -0.03 0.00 -0.83 0.00 0.00 39.33 39.97 3b9x h ASP 200 CO -0.28 1.04 0.19 0.58 -1.03 0.00 0.00 179.24 179.74 3b9x h VAL 201 N 0.96 1.25 -0.08 4.15 2.07 -1.52 -1.41 116.25 121.67 3b9x h VAL 201 Ca 0.18 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 3b9x h VAL 201 Cb 0.50 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3b9x h VAL 201 CO 0.02 0.32 0.04 0.40 0.02 0.00 0.00 177.57 178.38 3b9x h ILE 202 N 0.90 1.11 -0.57 4.57 2.04 -1.32 -2.64 117.51 121.60 3b9x h ILE 202 Ca 0.20 -0.33 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3b9x h ILE 202 Cb 0.30 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.54 3b9x h ILE 202 CO -0.01 0.10 0.38 0.00 0.00 0.00 0.00 178.15 178.62 3b9x h ALA 203 N 0.91 1.96 -0.46 1.87 0.00 -1.02 -0.63 119.26 121.90 3b9x h ALA 203 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3b9x h ALA 203 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3b9x h ALA 203 CO -0.00 -0.08 0.19 -0.09 0.00 0.00 0.00 179.25 179.27 3b9x h ARG 204 N 0.43 0.68 -0.15 0.00 2.43 -0.92 -2.05 114.38 114.81 3b9x h ARG 204 Ca 0.26 -0.12 -0.21 0.00 -0.81 0.00 0.00 59.98 59.10 3b9x h ARG 204 Cb 0.45 -0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3b9x h ARG 204 CO -0.07 0.61 -0.75 0.52 -1.51 0.00 0.00 179.97 178.77 3b9x h MET 205 N 0.60 0.71 -0.75 0.20 2.86 -1.01 -2.58 114.93 114.96 3b9x h MET 205 Ca 0.15 -0.57 0.15 0.00 -2.06 0.00 0.00 59.70 57.38 3b9x h MET 205 Cb 0.17 0.11 -0.10 0.00 0.06 0.00 0.00 31.60 31.84 3b9x h MET 205 CO -0.01 1.18 0.26 0.93 1.06 0.00 0.00 176.91 180.33 3b9x h GLU 206 N 0.49 0.36 -0.55 1.72 5.08 -1.11 -1.32 114.58 119.25 3b9x h GLU 206 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3b9x h GLU 206 Cb 1.36 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.50 3b9x h GLU 206 CO 0.15 0.24 0.35 -0.09 -1.00 0.00 0.00 179.01 178.66 3b9x h ARG 207 N 0.37 0.74 -0.49 2.33 2.43 -1.16 -2.41 114.38 116.19 3b9x h ARG 207 Ca 0.42 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 3b9x h ARG 207 Cb 0.69 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3b9x h ARG 207 CO -0.45 0.51 0.22 0.00 -1.51 0.00 0.00 179.97 178.74 3b9x h ALA 208 N 1.18 1.47 -0.58 2.80 0.00 -1.06 -3.47 119.26 119.61 3b9x h ALA 208 Ca 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3b9x h ALA 208 Cb -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3b9x h ALA 208 CO -0.04 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.03 3b9x n GLY 209 N -1.19 0.09 1.50 0.00 0.00 -0.54 -4.91 105.19 100.15 3b9x n GLY 209 Ca 0.04 -0.96 0.08 0.00 0.00 0.00 0.00 46.02 45.17 3b9x n GLY 209 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b9x n GLY 210 N 0.00 -2.04 0.20 -0.02 0.00 -1.26 -2.89 105.19 99.19 3b9x n GLY 210 Ca 0.00 -1.35 0.02 0.00 0.00 0.00 0.00 46.02 44.69 3b9x n GLY 210 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3b9x h PRO 211 N 0.00 0.06 0.02 1.61 0.11 -1.91 -2.37 132.00 129.53 3b9x h PRO 211 Ca 0.01 -0.02 -0.23 0.00 0.11 0.00 0.00 66.00 65.87 3b9x h PRO 211 Cb 0.51 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3b9x h PRO 211 CO 0.00 0.36 -0.99 0.00 -0.21 0.00 0.00 178.00 177.17 3b9x h ALA 212 N 1.64 0.33 -0.47 -0.75 0.00 -1.80 -2.39 119.26 115.81 3b9x h ALA 212 Ca 0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 54.91 54.08 3b9x h ALA 212 Cb 0.57 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3b9x h ALA 212 CO 0.04 0.85 -0.11 0.78 0.00 0.00 0.00 179.25 180.81 3b9x h GLY 213 N 1.32 0.94 0.88 0.00 0.00 -1.43 -0.67 103.07 104.12 3b9x h GLY 213 Ca -0.09 -0.72 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 3b9x h GLY 213 CO 0.17 0.66 -0.21 0.83 0.00 0.00 0.00 176.54 177.99 3b9x h GLU 214 N 0.78 0.57 -0.30 4.80 5.08 -1.47 -2.38 114.58 121.66 3b9x h GLU 214 Ca 0.13 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3b9x h GLU 214 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3b9x h GLU 214 CO 0.04 0.87 0.16 1.25 -1.00 0.00 0.00 179.01 180.33 3b9x h LEU 215 N 0.27 0.38 -0.78 1.33 5.85 -1.42 -0.94 115.31 120.00 3b9x h LEU 215 Ca 0.04 -0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.82 3b9x h LEU 215 Cb 0.75 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.58 3b9x h LEU 215 CO 0.05 0.38 0.32 0.15 -0.34 0.00 0.00 178.44 178.99 3b9x h PHE 216 N 0.36 0.54 -0.21 1.25 3.57 -1.11 -0.63 116.94 120.70 3b9x h PHE 216 Ca 0.10 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 3b9x h PHE 216 Cb 0.08 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 3b9x h PHE 216 CO -0.03 0.05 -0.15 1.03 -2.23 0.00 0.00 178.31 176.98 3b9x h SER 217 N 0.44 0.50 -0.32 0.41 0.87 -0.97 -1.39 113.55 113.10 3b9x h SER 217 Ca 0.44 -0.44 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 3b9x h SER 217 Cb 0.70 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3b9x h SER 217 CO -0.43 0.84 0.14 0.44 -0.53 0.00 0.00 176.83 177.29 3b9x h ASP 218 N 0.17 0.44 0.79 6.23 3.32 -0.73 -2.96 116.42 123.67 3b9x h ASP 218 Ca 0.04 -0.15 -0.04 0.00 0.02 0.00 0.00 57.03 56.90 3b9x h ASP 218 Cb 0.67 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3b9x h ASP 218 CO 0.04 0.47 -0.45 0.40 -1.72 0.00 0.00 179.24 177.98 3b9x h ILE 219 N 0.38 0.00 0.00 0.35 2.04 -1.17 -3.33 117.51 115.78 3b9x h ILE 219 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3b9x h ILE 219 Cb 0.16 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 3b9x h ILE 219 CO -0.01 0.00 0.00 0.23 0.00 0.00 0.00 178.15 178.37 3b9x n MET 220 N -5.28 0.11 0.10 2.37 2.81 -0.53 -2.24 117.12 114.46 3b9x n MET 220 Ca -0.14 0.14 -0.02 0.00 -1.81 0.00 0.00 57.70 55.87 3b9x n MET 220 Cb 0.47 -1.64 0.21 0.00 -0.71 0.00 0.00 33.22 31.55 3b9x n MET 220 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 3b9x h ASN 221 N 0.00 0.24 0.66 7.83 -0.26 -1.64 -0.89 115.58 121.53 3b9x h ASN 221 Ca 0.00 -0.11 -0.03 0.00 -0.56 0.00 0.00 56.30 55.60 3b9x h ASN 221 Cb 0.55 -0.07 0.01 0.00 -1.06 0.00 0.00 38.32 37.75 3b9x h ASN 221 CO 0.00 0.66 -0.32 0.15 -1.06 0.00 0.00 177.43 176.86 3b9x h PHE 222 N 0.19 -0.82 0.00 1.19 3.57 -1.55 -3.26 116.94 116.25 3b9x h PHE 222 Ca 0.01 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 3b9x h PHE 222 Cb 0.86 0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 3b9x h PHE 222 CO 0.01 -0.48 -0.11 1.79 -2.23 0.00 0.00 178.31 177.29 3b9x h THR 223 N -1.14 0.28 -0.97 4.41 1.35 -1.65 -2.24 112.91 112.95 3b9x h THR 223 Ca -0.09 -0.85 0.33 0.00 -0.55 0.00 0.00 66.41 65.25 3b9x h THR 223 Cb 0.71 1.67 -0.16 0.00 -1.73 0.00 0.00 68.15 68.64 3b9x h THR 223 CO 0.15 0.11 0.39 0.25 -0.25 0.00 0.00 175.52 176.17 3b9x h LEU 224 N 0.00 0.16 0.08 3.87 5.85 -1.19 0.02 115.31 124.10 3b9x h LEU 224 Ca -0.00 0.23 -0.34 0.00 0.84 0.00 0.00 57.88 58.62 3b9x h LEU 224 Cb 0.66 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.94 3b9x h LEU 224 CO 0.01 -0.28 -1.88 2.29 -0.34 0.00 0.00 178.44 178.24 3b9x n LYS 225 N -5.24 0.71 -0.04 1.25 2.85 -0.85 -3.26 118.16 113.58 3b9x n LYS 225 Ca 0.30 0.28 -0.13 0.00 -1.05 0.00 0.00 58.31 57.71 3b9x n LYS 225 Cb 0.99 -1.74 0.00 0.00 -0.65 0.00 0.00 35.03 33.62 3b9x n LYS 225 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 177.40 179.14 3b9x h THR 226 N 0.04 1.30 0.00 0.58 1.35 -1.49 0.32 112.91 115.01 3b9x h THR 226 Ca -0.37 -1.77 -0.07 0.00 -0.55 0.00 0.00 66.41 63.65 3b9x h THR 226 Cb 2.03 1.70 -0.01 0.00 -1.73 0.00 0.00 68.15 70.14 3b9x h THR 226 CO 0.09 0.57 -0.31 1.56 -0.25 0.00 0.00 175.52 177.17 3b9x h GLN 227 N 0.56 0.00 -0.02 4.72 1.08 -1.16 -0.21 115.11 120.08 3b9x h GLN 227 Ca 0.01 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 3b9x h GLN 227 Cb 1.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 3b9x h GLN 227 CO 0.12 0.31 -0.25 0.35 -0.95 0.00 0.00 178.83 178.41 3b9x h PHE 228 N 0.00 0.30 -0.74 2.96 3.57 -1.46 -2.60 116.94 118.96 3b9x h PHE 228 Ca -0.00 -0.15 0.06 0.00 3.53 0.00 0.00 57.97 61.42 3b9x h PHE 228 Cb 0.65 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.29 3b9x h PHE 228 CO 0.00 0.90 0.43 1.49 -2.23 0.00 0.00 178.31 178.90 3b9x h GLU 229 N -0.39 0.76 0.12 1.11 4.81 -0.14 -2.45 114.58 118.40 3b9x h GLU 229 Ca -0.02 -0.05 -0.32 0.00 -0.13 0.00 0.00 59.36 58.84 3b9x h GLU 229 Cb 0.95 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 3b9x h GLU 229 CO 0.05 0.50 -1.67 -0.91 -0.73 0.00 0.00 179.01 176.26 3b9x h ASN 230 N 0.78 0.40 0.00 1.04 2.35 -1.17 -3.41 115.58 115.57 3b9x h ASN 230 Ca 0.33 -0.63 0.00 0.00 -0.55 0.00 0.00 56.30 55.46 3b9x h ASN 230 Cb 0.21 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3b9x h ASN 230 CO -0.19 1.54 0.00 -1.22 -1.65 0.00 0.00 177.43 175.91 3b9x n TYR 231 N -3.44 0.00 -1.16 1.19 0.53 -1.11 -5.02 117.16 108.15 3b9x n TYR 231 Ca -0.20 0.00 -0.04 0.00 -1.02 0.00 0.00 57.90 56.64 3b9x n TYR 231 Cb 1.05 0.00 -0.02 0.00 -1.03 0.00 0.00 39.34 39.35 3b9x n TYR 231 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3b9x n GLY 232 N 0.40 0.65 3.80 2.72 0.00 -0.92 -5.02 105.19 106.82 3b9x n GLY 232 Ca 0.00 -0.89 -0.34 0.00 0.00 0.00 0.00 46.02 44.79 3b9x n GLY 232 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b9x s LEU 233 N -0.87 3.83 0.37 0.99 1.43 -1.00 -4.92 118.68 118.52 3b9x s LEU 233 Ca 0.00 1.86 0.17 0.00 -1.03 0.00 0.00 54.13 55.13 3b9x s LEU 233 Cb 0.00 -4.55 0.70 0.00 0.03 0.00 0.00 46.19 42.37 3b9x s LEU 233 CO 0.00 -0.71 1.76 0.00 0.23 0.00 0.00 176.35 177.63 3b9x h ALA 234 N 1.53 1.08 -2.98 4.21 0.00 -1.94 -3.33 119.26 117.83 3b9x h ALA 234 Ca -0.49 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 53.94 3b9x h ALA 234 Cb 1.21 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3b9x h ALA 234 CO 0.59 0.49 0.11 0.20 0.00 0.00 0.00 179.25 180.65 3b9x s GLY 235 N -4.35 0.81 -0.19 0.00 0.00 -1.26 -4.59 107.32 97.73 3b9x s GLY 235 Ca -0.01 -1.05 -0.29 0.00 0.00 0.00 0.00 44.72 43.37 3b9x s GLY 235 CO 0.70 -0.57 1.31 -0.32 0.00 0.00 0.00 173.10 174.22 3b9x s GLY 236 N -3.14 1.57 0.70 0.20 0.00 -1.25 -4.25 107.32 101.14 3b9x s GLY 236 Ca 0.21 0.42 -0.16 0.00 0.00 0.00 0.00 44.72 45.19 3b9x s GLY 236 CO 0.15 2.57 1.22 -4.14 0.00 0.00 0.00 173.10 172.91 3b9x s PRO 237 N 3.71 2.31 -0.97 2.90 0.02 -1.26 -2.66 135.00 139.04 3b9x s PRO 237 Ca 0.57 1.82 -0.02 0.00 0.02 0.00 0.00 61.00 63.40 3b9x s PRO 237 Cb -0.22 -1.85 0.31 0.00 0.02 0.00 0.00 34.50 32.77 3b9x s PRO 237 CO 0.18 -1.72 1.95 1.33 -0.33 0.00 0.00 177.00 178.41 3b9x n VAL 238 N -2.44 5.21 -0.29 3.83 0.24 -1.17 -4.80 118.33 118.91 3b9x n VAL 238 Ca 0.14 -5.28 0.02 0.00 -2.04 0.00 0.00 64.34 57.19 3b9x n VAL 238 Cb 0.50 -1.49 0.10 0.00 -1.47 0.00 0.00 33.84 31.48 3b9x n VAL 238 CO 0.00 0.00 0.00 0.45 -2.14 0.00 0.00 176.83 175.14 3b9x h HIS 239 N 3.82 -0.51 0.00 6.34 3.86 -1.89 -2.61 115.15 124.16 3b9x h HIS 239 Ca 0.55 0.08 -0.14 0.00 -1.16 0.00 0.00 60.37 59.70 3b9x h HIS 239 Cb 0.24 0.35 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 3b9x h HIS 239 CO 1.31 -0.36 -0.69 -0.44 0.86 0.00 0.00 177.93 178.61 3b9x h ASP 240 N -0.01 0.00 0.43 2.45 3.32 -1.90 -2.95 116.42 117.76 3b9x h ASP 240 Ca 0.39 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.40 3b9x h ASP 240 Cb 0.61 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3b9x h ASP 240 CO -0.86 0.69 -0.19 0.00 -1.72 0.00 0.00 179.24 177.16 3b9x h ALA 241 N 1.31 1.30 -0.15 3.45 0.00 -1.64 -2.64 119.26 120.90 3b9x h ALA 241 Ca -0.01 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.77 3b9x h ALA 241 Cb 1.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3b9x h ALA 241 CO 0.09 0.24 0.12 1.79 0.00 0.00 0.00 179.25 181.48 3b9x h THR 242 N 0.00 0.81 -0.56 0.00 1.35 -1.58 -0.97 112.91 111.97 3b9x h THR 242 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.79 3b9x h THR 242 Cb 0.45 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 67.77 3b9x h THR 242 CO 0.02 0.00 0.09 0.00 -0.25 0.00 0.00 175.52 175.39 3b9x h ILE 244 N 0.81 1.10 -0.88 0.00 1.08 -1.49 -2.73 117.51 115.41 3b9x h ILE 244 Ca 0.17 -0.74 0.22 0.00 -0.39 0.00 0.00 64.86 64.12 3b9x h ILE 244 Cb 0.40 1.58 -0.15 0.00 -3.07 0.00 0.00 36.82 35.58 3b9x h ILE 244 CO 0.01 0.18 0.06 1.23 -0.69 0.00 0.00 178.15 178.94 3b9x h GLY 245 N -0.46 1.11 1.58 5.37 0.00 -1.14 0.38 103.07 109.90 3b9x h GLY 245 Ca -0.01 0.10 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 3b9x h GLY 245 CO 0.02 -0.39 0.05 -1.82 0.00 0.00 0.00 176.54 174.40 3b9x h TYR 246 N 0.09 0.54 0.11 5.60 3.20 -0.77 -1.40 116.97 124.34 3b9x h TYR 246 Ca 0.52 -0.04 -0.28 0.00 3.14 0.00 0.00 58.73 62.06 3b9x h TYR 246 Cb 1.00 -0.16 0.02 0.00 1.54 0.00 0.00 36.73 39.13 3b9x h TYR 246 CO -0.42 0.50 -1.21 -0.07 -1.64 0.00 0.00 178.16 175.32 3b9x h LEU 247 N 0.52 0.71 -0.66 2.82 3.38 -0.81 -2.58 115.31 118.70 3b9x h LEU 247 Ca 0.12 -0.67 -0.02 0.00 0.09 0.00 0.00 57.88 57.40 3b9x h LEU 247 Cb 0.26 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3b9x h LEU 247 CO 0.00 1.49 0.33 0.40 0.09 0.00 0.00 178.44 180.75 3b9x h ILE 248 N 0.22 1.22 -0.92 1.22 2.04 -0.75 -3.43 117.51 117.10 3b9x h ILE 248 Ca -0.16 -0.60 0.05 0.00 1.00 0.00 0.00 64.86 65.16 3b9x h ILE 248 Cb 1.88 0.40 -0.21 0.00 -0.74 0.00 0.00 36.82 38.16 3b9x h ILE 248 CO 0.22 0.25 -0.33 0.21 0.00 0.00 0.00 178.15 178.49 3b9x s ASN 249 N -6.04 -1.50 0.31 1.72 2.47 -0.55 -5.03 114.94 106.33 3b9x s ASN 249 Ca -0.13 0.22 0.24 0.00 0.42 0.00 0.00 52.86 53.61 3b9x s ASN 249 Cb 0.14 1.97 1.10 0.00 -1.45 0.00 0.00 41.25 43.01 3b9x s ASN 249 CO 0.79 -0.27 1.73 1.55 -3.72 0.00 0.00 177.10 177.18 3b9x h PRO 250 N 7.93 0.00 0.00 0.43 0.13 -1.68 -2.86 132.00 135.95 3b9x h PRO 250 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 3b9x h PRO 250 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3b9x h PRO 250 CO 0.13 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.65 3b9x n ASP 251 N -2.32 0.28 0.04 1.44 8.00 -1.26 -2.54 116.55 120.19 3b9x n ASP 251 Ca 0.01 0.54 0.12 0.00 0.71 0.00 0.00 54.79 56.17 3b9x n ASP 251 Cb 0.17 -0.61 0.50 0.00 -0.02 0.00 0.00 41.12 41.16 3b9x n ASP 251 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3b9x n GLY 252 N 0.88 -1.46 3.10 0.44 0.00 -1.08 -4.80 105.19 102.27 3b9x n GLY 252 Ca 0.05 -0.05 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3b9x n GLY 252 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b9x s ILE 253 N -3.06 1.59 -0.15 -0.61 1.01 -1.05 -0.55 121.20 118.36 3b9x s ILE 253 Ca 0.11 -0.72 -0.18 0.00 0.00 0.00 0.00 60.65 59.86 3b9x s ILE 253 Cb 0.15 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 3b9x s ILE 253 CO 0.49 0.46 0.47 -0.75 0.00 0.00 0.00 174.94 175.61 3b9x s LYS 254 N 0.71 4.28 0.22 2.79 2.20 0.14 -4.97 119.74 125.11 3b9x s LYS 254 Ca -0.12 0.39 0.11 0.00 -0.36 0.00 0.00 55.97 55.99 3b9x s LYS 254 Cb -0.16 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.63 3b9x s LYS 254 CO 0.03 0.06 -0.21 0.95 -0.36 0.00 0.00 175.35 175.82 3b9x s THR 255 N 0.97 2.25 -0.06 3.43 -4.23 -1.26 -0.11 115.64 116.63 3b9x s THR 255 Ca 0.24 -2.18 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 3b9x s THR 255 Cb -0.15 -2.14 0.02 0.00 1.34 0.00 0.00 72.50 71.57 3b9x s THR 255 CO 0.09 -0.31 -0.10 -1.58 -0.54 0.00 0.00 174.62 172.19 3b9x s GLN 256 N -3.12 1.40 0.21 3.99 0.74 -0.58 -4.90 119.66 117.40 3b9x s GLN 256 Ca 0.24 -0.31 -0.30 0.00 0.05 0.00 0.00 55.36 55.04 3b9x s GLN 256 Cb -0.06 -1.20 -0.09 0.00 1.10 0.00 0.00 33.01 32.76 3b9x s GLN 256 CO 0.11 -0.01 1.24 -1.21 -0.55 0.00 0.00 175.29 174.88 3b9x s GLU 257 N 0.74 4.45 0.01 1.67 2.02 -1.26 -0.97 118.70 125.36 3b9x s GLU 257 Ca -0.14 1.97 -0.10 0.00 0.02 0.00 0.00 54.97 56.72 3b9x s GLU 257 Cb -0.15 -3.21 0.01 0.00 0.10 0.00 0.00 34.13 30.88 3b9x s GLU 257 CO 0.03 -0.14 0.20 -1.64 0.02 0.00 0.00 175.26 173.72 3b9x s MET 258 N -0.37 0.60 -0.18 1.61 -1.94 -0.17 -4.94 119.30 113.91 3b9x s MET 258 Ca 0.54 -0.41 -0.29 0.00 -1.71 0.00 0.00 55.69 53.81 3b9x s MET 258 Cb -0.35 0.25 -0.01 0.00 2.01 0.00 0.00 34.83 36.74 3b9x s MET 258 CO 0.39 -0.16 1.25 -0.47 -0.01 0.00 0.00 175.02 176.02 3b9x s TYR 259 N -1.72 2.86 -0.04 -0.03 5.04 -1.26 -0.93 117.35 121.27 3b9x s TYR 259 Ca -0.12 1.02 0.05 0.00 -2.44 0.00 0.00 57.07 55.59 3b9x s TYR 259 Cb -0.05 -3.53 -0.02 0.00 0.35 0.00 0.00 41.96 38.71 3b9x s TYR 259 CO 0.01 -1.63 -0.18 0.08 -1.34 0.00 0.00 175.55 172.49 3b9x s VAL 260 N 3.56 2.72 -0.02 3.14 1.01 -1.26 -1.65 120.40 127.90 3b9x s VAL 260 Ca 0.54 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.66 3b9x s VAL 260 Cb -0.21 -2.03 0.01 0.00 0.00 0.00 0.00 36.38 34.15 3b9x s VAL 260 CO 0.15 0.58 -0.03 -0.70 0.00 0.00 0.00 175.10 175.09 3b9x s GLU 261 N -0.72 0.49 -0.14 2.72 2.12 -0.37 -4.95 118.70 117.86 3b9x s GLU 261 Ca 0.11 -0.09 -0.18 0.00 0.36 0.00 0.00 54.97 55.17 3b9x s GLU 261 Cb -0.10 -0.54 -0.04 0.00 0.26 0.00 0.00 34.13 33.71 3b9x s GLU 261 CO 0.00 -0.01 0.49 0.08 -0.54 0.00 0.00 175.26 175.28 3b9x s VAL 262 N 0.48 5.17 -0.39 3.70 1.01 -1.26 0.90 120.40 130.00 3b9x s VAL 262 Ca -0.05 0.96 -0.25 0.00 0.00 0.00 0.00 61.98 62.64 3b9x s VAL 262 Cb -0.09 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.48 3b9x s VAL 262 CO -0.00 0.29 0.91 -0.62 0.00 0.00 0.00 175.10 175.68 3b9x s ASP 263 N 0.75 6.63 0.00 3.32 -1.08 -0.07 -4.93 116.67 121.29 3b9x s ASP 263 Ca 0.26 0.46 0.19 0.00 -0.52 0.00 0.00 52.55 52.93 3b9x s ASP 263 Cb -0.15 -2.45 0.43 0.00 -1.46 0.00 0.00 42.92 39.29 3b9x s ASP 263 CO 0.10 -0.89 1.36 1.33 0.52 0.00 0.00 175.17 177.59 3b9x n VAL 264 N 6.06 0.75 -1.87 1.11 0.24 -1.26 -0.03 118.33 123.32 3b9x n VAL 264 Ca 0.06 -0.87 -0.42 0.00 -2.04 0.00 0.00 64.34 61.07 3b9x n VAL 264 Cb 0.48 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.55 3b9x n VAL 264 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 3b9x s ASN 265 N -1.15 6.54 0.66 -1.34 0.02 -1.26 -4.92 114.94 113.49 3b9x s ASN 265 Ca 0.36 2.61 -0.17 0.00 -1.02 0.00 0.00 52.86 54.63 3b9x s ASN 265 Cb 0.20 -2.57 -0.03 0.00 0.02 0.00 0.00 41.25 38.86 3b9x s ASN 265 CO 0.26 -0.90 0.84 -1.54 0.02 0.00 0.00 177.10 175.78 3b9x n SER 266 N 5.09 0.11 0.00 -1.22 3.41 -1.26 -3.28 113.62 116.47 3b9x n SER 266 Ca 0.16 0.71 0.00 0.00 -0.26 0.00 0.00 58.87 59.47 3b9x n SER 266 Cb 0.39 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 3b9x n SER 266 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3b9x n GLY 267 N 1.35 -0.10 0.02 5.00 0.00 -1.26 -4.80 105.19 105.39 3b9x n GLY 267 Ca 0.13 -2.23 0.06 0.00 0.00 0.00 0.00 46.02 43.98 3b9x n GLY 267 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3b9x n PRO 268 N 0.00 0.03 -0.14 1.61 -0.04 -1.26 -2.44 135.00 132.76 3b9x n PRO 268 Ca 0.00 0.34 0.06 0.00 -0.04 0.00 0.00 63.50 63.86 3b9x n PRO 268 Cb 0.00 -1.57 0.08 0.00 -0.04 0.00 0.00 33.50 31.97 3b9x n PRO 268 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b9x n TYR 270 N -0.93 2.22 -0.93 0.00 9.36 -1.02 -1.27 117.16 124.58 3b9x n TYR 270 Ca 0.09 -0.10 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3b9x n TYR 270 Cb 0.58 -2.70 0.00 0.00 -0.63 0.00 0.00 39.34 36.59 3b9x n TYR 270 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3b9x n GLY 271 N 4.99 0.43 3.72 2.98 0.00 0.96 -4.73 105.19 113.54 3b9x n GLY 271 Ca 0.26 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 3b9x n GLY 271 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3b9x s ARG 272 N -1.81 4.62 -0.39 1.61 3.52 -0.40 -4.22 118.95 121.88 3b9x s ARG 272 Ca 0.00 1.52 -0.22 0.00 -0.13 0.00 0.00 55.73 56.90 3b9x s ARG 272 Cb 0.00 -3.38 0.01 0.00 -1.56 0.00 0.00 34.95 30.02 3b9x s ARG 272 CO 0.00 0.07 0.74 0.95 -0.81 0.00 0.00 175.30 176.25 3b9x s THR 273 N 0.34 4.75 -0.38 4.11 -4.23 -1.26 -0.89 115.64 118.08 3b9x s THR 273 Ca 0.50 0.65 -0.20 0.00 -1.18 0.00 0.00 61.69 61.47 3b9x s THR 273 Cb -0.24 -4.21 0.01 0.00 1.34 0.00 0.00 72.50 69.40 3b9x s THR 273 CO 0.30 -0.49 0.59 -0.69 -0.54 0.00 0.00 174.62 173.79 3b9x s VAL 274 N 3.05 4.92 -0.17 2.29 1.01 0.26 -4.62 120.40 127.14 3b9x s VAL 274 Ca 0.29 0.31 -0.04 0.00 0.00 0.00 0.00 61.98 62.53 3b9x s VAL 274 Cb -0.13 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 3b9x s VAL 274 CO 0.18 -0.38 -0.03 0.00 0.00 0.00 0.00 175.10 174.87 3b9x n ASP 276 N 3.72 5.32 -0.16 0.00 2.03 -0.66 -4.84 116.55 121.96 3b9x n ASP 276 Ca -0.17 -3.01 -0.02 0.00 0.52 0.00 0.00 54.79 52.11 3b9x n ASP 276 Cb 0.52 -1.51 0.07 0.00 -0.72 0.00 0.00 41.12 39.48 3b9x n ASP 276 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3b9x h GLU 277 N 6.88 0.16 -0.02 -0.67 5.08 -1.95 -2.75 114.58 121.30 3b9x h GLU 277 Ca 0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3b9x h GLU 277 Cb 0.85 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.06 3b9x h GLU 277 CO 1.22 0.10 -0.10 1.28 -1.00 0.00 0.00 179.01 180.51 3b9x n LEU 278 N -5.19 2.41 -0.85 1.33 4.77 -1.26 -4.96 117.00 113.24 3b9x n LEU 278 Ca 0.06 -0.81 -0.10 0.00 -0.03 0.00 0.00 56.01 55.13 3b9x n LEU 278 Cb 0.27 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3b9x n LEU 278 CO 0.17 0.41 -0.10 0.61 -1.33 0.00 0.00 177.39 177.14 3b9x n GLY 279 N 1.33 0.82 0.23 -0.72 0.00 -1.04 -4.94 105.19 100.87 3b9x n GLY 279 Ca 0.14 -0.56 0.16 0.00 0.00 0.00 0.00 46.02 45.76 3b9x n GLY 279 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3b9x h VAL 280 N 0.00 0.00 0.00 1.61 -1.51 -1.93 -2.79 116.25 111.63 3b9x h VAL 280 Ca -0.21 -0.22 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 3b9x h VAL 280 Cb 0.79 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.99 3b9x h VAL 280 CO 0.29 0.00 -0.35 0.18 -1.23 0.00 0.00 177.57 176.46 3b9x n LEU 281 N -2.70 0.46 -3.40 4.19 4.77 -1.26 -4.93 117.00 114.12 3b9x n LEU 281 Ca -0.00 0.25 -0.24 0.00 -0.03 0.00 0.00 56.01 55.99 3b9x n LEU 281 Cb 0.18 -0.31 0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3b9x n LEU 281 CO 0.20 0.01 0.15 0.61 -1.33 0.00 0.00 177.39 177.04 3b9x n GLY 282 N 1.44 -0.54 3.61 -0.72 0.00 -1.05 -5.01 105.19 102.91 3b9x n GLY 282 Ca 0.05 0.21 -0.33 0.00 0.00 0.00 0.00 46.02 45.96 3b9x n GLY 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b9x s LYS 283 N -6.11 2.65 0.35 1.61 1.02 -1.26 -5.10 119.74 112.91 3b9x s LYS 283 Ca 0.49 -0.65 -0.27 0.00 0.02 0.00 0.00 55.97 55.56 3b9x s LYS 283 Cb -0.22 -2.56 -0.09 0.00 -0.52 0.00 0.00 37.83 34.44 3b9x s LYS 283 CO 0.60 0.63 1.23 -1.25 -0.92 0.00 0.00 175.35 175.64 3b9x s PRO 284 N -1.26 4.26 0.52 -1.68 0.04 -1.26 -4.63 135.00 130.99 3b9x s PRO 284 Ca 0.16 2.03 -0.23 0.00 0.04 0.00 0.00 61.00 63.01 3b9x s PRO 284 Cb -0.11 -2.94 -0.06 0.00 0.04 0.00 0.00 34.50 31.43 3b9x s PRO 284 CO 0.06 -0.20 1.29 0.00 0.04 0.00 0.00 177.00 178.20 3b9x n ALA 285 N 0.57 1.37 -0.30 8.56 0.00 -1.26 -4.57 120.51 124.89 3b9x n ALA 285 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3b9x n ALA 285 Cb 0.44 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3b9x n ALA 285 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3b9x n ASN 286 N -0.62 0.56 -3.75 0.00 0.23 -0.10 -4.83 115.26 106.75 3b9x n ASN 286 Ca 0.09 -0.90 -0.12 0.00 -0.53 0.00 0.00 54.58 53.12 3b9x n ASN 286 Cb 0.43 0.10 -0.12 0.00 -2.08 0.00 0.00 39.78 38.11 3b9x n ASN 286 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 3b9x s THR 287 N -0.10 -0.02 -0.35 5.53 2.01 -0.99 -4.01 115.64 117.71 3b9x s THR 287 Ca 0.00 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 61.82 3b9x s THR 287 Cb 0.00 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.11 3b9x s THR 287 CO 0.00 0.03 0.90 -0.54 -0.69 0.00 0.00 174.62 174.32 3b9x s LYS 288 N 0.77 3.88 -0.22 4.92 1.02 -0.51 -1.00 119.74 128.62 3b9x s LYS 288 Ca -0.05 0.61 -0.11 0.00 0.02 0.00 0.00 55.97 56.44 3b9x s LYS 288 Cb -0.06 -3.78 -0.05 0.00 -0.52 0.00 0.00 37.83 33.42 3b9x s LYS 288 CO -0.05 -0.87 0.17 0.08 -0.92 0.00 0.00 175.35 173.76 3b9x s VAL 289 N 3.33 5.37 0.11 3.17 1.01 -0.14 -0.29 120.40 132.96 3b9x s VAL 289 Ca 0.37 0.24 -0.31 0.00 0.00 0.00 0.00 61.98 62.28 3b9x s VAL 289 Cb -0.13 -3.51 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 3b9x s VAL 289 CO 0.17 0.38 1.59 -0.83 0.00 0.00 0.00 175.10 176.41 3b9x s GLY 290 N 0.71 1.60 -0.10 4.51 0.00 0.21 -1.52 107.32 112.74 3b9x s GLY 290 Ca 0.09 1.25 -0.13 0.00 0.00 0.00 0.00 44.72 45.94 3b9x s GLY 290 CO 0.02 2.72 -0.25 1.39 0.00 0.00 0.00 173.10 176.98 3b9x n ILE 291 N 4.35 1.42 -4.03 0.90 2.08 0.84 -4.17 119.36 120.74 3b9x n ILE 291 Ca 0.15 0.21 -0.12 0.00 0.56 0.00 0.00 62.75 63.55 3b9x n ILE 291 Cb 0.40 -2.12 -0.11 0.00 -0.75 0.00 0.00 39.64 37.06 3b9x n ILE 291 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 3b9x s THR 292 N -2.63 0.38 -0.06 1.39 -4.23 -1.08 -4.27 115.64 105.14 3b9x s THR 292 Ca -0.21 -0.98 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 3b9x s THR 292 Cb 0.03 -0.48 -0.00 0.00 1.34 0.00 0.00 72.50 73.39 3b9x s THR 292 CO 0.30 -0.40 -0.18 -0.51 -0.54 0.00 0.00 174.62 173.29 3b9x s ILE 293 N -1.35 1.53 -0.67 2.99 2.07 -1.26 0.26 121.20 124.78 3b9x s ILE 293 Ca -0.11 -0.76 -0.27 0.00 -1.41 0.00 0.00 60.65 58.10 3b9x s ILE 293 Cb -0.10 -1.33 0.01 0.00 0.13 0.00 0.00 42.46 41.18 3b9x s ILE 293 CO -0.00 0.44 1.47 -0.62 -1.91 0.00 0.00 174.94 174.32 3b9x s ASP 294 N 0.16 5.90 0.42 4.50 -1.08 0.28 -4.89 116.67 121.96 3b9x s ASP 294 Ca -0.07 -0.08 0.19 0.00 -0.52 0.00 0.00 52.55 52.07 3b9x s ASP 294 Cb -0.13 -2.55 0.94 0.00 -1.46 0.00 0.00 42.92 39.72 3b9x s ASP 294 CO 0.03 -1.96 1.87 0.71 0.52 0.00 0.00 175.17 176.35 3b9x h THR 295 N 6.34 0.91 -0.07 1.71 1.35 -1.93 -1.88 112.91 119.34 3b9x h THR 295 Ca -0.27 -1.11 -0.01 0.00 -0.55 0.00 0.00 66.41 64.47 3b9x h THR 295 Cb 1.09 1.65 -0.00 0.00 -1.73 0.00 0.00 68.15 69.16 3b9x h THR 295 CO 1.24 0.28 0.01 0.44 -0.25 0.00 0.00 175.52 177.25 3b9x h ASP 296 N 0.00 0.11 -0.65 5.36 3.32 -1.99 -0.95 116.42 121.61 3b9x h ASP 296 Ca -0.00 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 56.85 3b9x h ASP 296 Cb 0.63 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 3b9x h ASP 296 CO 0.04 0.33 0.37 -0.25 -1.72 0.00 0.00 179.24 178.01 3b9x h TRP 297 N -0.12 0.69 -0.01 4.55 7.01 -1.90 -2.61 115.95 123.57 3b9x h TRP 297 Ca 0.02 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.04 3b9x h TRP 297 Cb 0.27 -0.22 -0.00 0.00 -2.10 0.00 0.00 29.16 27.11 3b9x h TRP 297 CO 0.01 0.35 -0.01 0.35 -2.79 0.00 0.00 178.44 176.35 3b9x h PHE 298 N 0.71 0.03 -0.23 2.65 3.57 -1.29 -1.25 116.94 121.12 3b9x h PHE 298 Ca 0.28 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.71 3b9x h PHE 298 Cb 0.13 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3b9x h PHE 298 CO -0.07 0.55 -0.12 -1.49 -2.23 0.00 0.00 178.31 174.95 3b9x h TRP 299 N -0.50 0.39 -0.72 0.41 -0.00 -1.24 -0.84 115.95 113.44 3b9x h TRP 299 Ca 0.00 -0.05 0.03 0.00 -0.00 0.00 0.00 58.89 58.87 3b9x h TRP 299 Cb 0.55 -0.11 -0.04 0.00 -0.00 0.00 0.00 29.16 29.55 3b9x h TRP 299 CO 0.11 0.48 0.46 0.78 -0.00 0.00 0.00 178.44 180.27 3b9x h GLY 300 N 0.84 1.04 1.07 1.49 0.00 -1.38 -1.97 103.07 104.16 3b9x h GLY 300 Ca 0.07 -0.35 -0.09 0.00 0.00 0.00 0.00 47.33 46.96 3b9x h GLY 300 CO 0.02 0.31 0.02 -2.00 0.00 0.00 0.00 176.54 174.89 3b9x h LEU 301 N 0.91 1.03 -0.18 3.11 5.85 -0.51 -1.31 115.31 124.20 3b9x h LEU 301 Ca 0.29 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3b9x h LEU 301 Cb -0.01 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 3b9x h LEU 301 CO -0.10 1.08 -0.03 0.58 -0.34 0.00 0.00 178.44 179.63 3b9x h VAL 302 N 0.96 0.84 -0.33 1.05 2.07 -1.00 -2.35 116.25 117.49 3b9x h VAL 302 Ca 0.17 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.69 3b9x h VAL 302 Cb 0.53 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 3b9x h VAL 302 CO 0.03 0.00 0.21 -0.08 0.02 0.00 0.00 177.57 177.75 3b9x h GLU 303 N 0.02 0.44 -0.93 1.57 4.81 -1.24 0.23 114.58 119.47 3b9x h GLU 303 Ca 0.09 -0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.48 3b9x h GLU 303 Cb 0.12 -0.10 -0.11 0.00 0.63 0.00 0.00 28.75 29.30 3b9x h GLU 303 CO -0.17 0.31 0.51 1.49 -0.73 0.00 0.00 179.01 180.42 3b9x h GLU 304 N 0.44 0.59 -0.06 1.92 4.81 -1.11 -1.08 114.58 120.09 3b9x h GLU 304 Ca 0.12 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 3b9x h GLU 304 Cb -0.03 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.23 3b9x h GLU 304 CO -0.02 0.39 -0.48 0.00 -0.73 0.00 0.00 179.01 178.17 3b9x h VAL 306 N -0.03 0.67 0.00 0.00 2.07 -0.43 -2.45 116.25 116.08 3b9x h VAL 306 Ca -0.04 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.18 3b9x h VAL 306 Cb 1.15 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3b9x h VAL 306 CO 0.10 0.11 -0.46 0.03 0.02 0.00 0.00 177.57 177.36 3b9x h ARG 307 N 0.59 0.00 0.00 1.57 3.08 -1.25 -2.91 114.38 115.46 3b9x h ARG 307 Ca 0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.55 3b9x h ARG 307 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3b9x h ARG 307 CO -0.40 0.46 0.07 0.41 -1.07 0.00 0.00 179.97 179.44 3b9x n GLY 308 N 0.60 -0.50 0.03 0.04 0.00 -0.92 -2.32 105.19 102.11 3b9x n GLY 308 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.14 3b9x n GLY 308 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3b9x n TYR 309 N -1.58 0.00 -2.00 1.61 4.01 -1.10 -4.94 117.16 113.16 3b9x n TYR 309 Ca -0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 3b9x n TYR 309 Cb 0.07 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.08 3b9x n TYR 309 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3b9x s ILE 310 N -2.53 2.65 -2.74 -0.72 1.01 -0.98 -4.38 121.20 113.52 3b9x s ILE 310 Ca 0.07 0.54 0.26 0.00 0.00 0.00 0.00 60.65 61.52 3b9x s ILE 310 Cb 0.13 -3.35 0.38 0.00 0.01 0.00 0.00 42.46 39.63 3b9x s ILE 310 CO 0.66 0.08 1.52 0.29 0.00 0.00 0.00 174.94 177.49