#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 3.83 0.08 1.97 1.81 -0.34 -4.86 118.95 121.43 3b9x s ARG 4 Ca 0.00 0.05 -0.31 0.00 -1.72 0.00 0.00 55.73 53.76 3b9x s ARG 4 Cb 0.00 -3.74 -0.07 0.00 -0.45 0.00 0.00 34.95 30.70 3b9x s ARG 4 CO 0.00 -0.51 1.33 0.15 -0.68 0.00 0.00 175.30 175.60 3b9x s LYS 5 N 2.35 4.35 0.09 3.54 1.02 -1.26 -0.67 119.74 129.16 3b9x s LYS 5 Ca 0.20 1.96 0.05 0.00 0.02 0.00 0.00 55.97 58.20 3b9x s LYS 5 Cb -0.15 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.79 3b9x s LYS 5 CO 0.12 -0.41 -0.13 0.96 -0.92 0.00 0.00 175.35 174.96 3b9x s ILE 6 N 1.31 1.14 -0.20 2.17 -4.36 0.01 -1.30 121.20 119.96 3b9x s ILE 6 Ca 0.63 -1.47 -0.03 0.00 -0.26 0.00 0.00 60.65 59.52 3b9x s ILE 6 Cb -0.34 -1.24 -0.01 0.00 1.25 0.00 0.00 42.46 42.13 3b9x s ILE 6 CO 0.29 -0.33 -0.07 -0.63 0.24 0.00 0.00 174.94 174.44 3b9x s ILE 7 N -1.70 3.26 -0.41 8.37 1.01 -0.89 -1.32 121.20 129.52 3b9x s ILE 7 Ca 0.02 -0.54 -0.17 0.00 0.00 0.00 0.00 60.65 59.96 3b9x s ILE 7 Cb -0.07 -2.46 0.02 0.00 0.01 0.00 0.00 42.46 39.95 3b9x s ILE 7 CO 0.02 0.45 0.41 -0.22 0.00 0.00 0.00 174.94 175.60 3b9x s LEU 8 N 1.25 4.84 -0.26 2.97 2.96 -0.89 -1.14 118.68 128.40 3b9x s LEU 8 Ca 0.03 -0.64 -0.11 0.00 -0.22 0.00 0.00 54.13 53.19 3b9x s LEU 8 Cb -0.14 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.15 3b9x s LEU 8 CO -0.02 -0.53 0.17 -0.62 -1.32 0.00 0.00 176.35 174.03 3b9x s ASP 9 N 1.78 6.00 0.21 3.68 2.15 -0.18 -1.26 116.67 129.05 3b9x s ASP 9 Ca 0.11 0.02 -0.18 0.00 0.43 0.00 0.00 52.55 52.93 3b9x s ASP 9 Cb -0.17 -2.10 0.02 0.00 -0.30 0.00 0.00 42.92 40.37 3b9x s ASP 9 CO 0.13 -0.01 0.55 0.00 -0.17 0.00 0.00 175.17 175.67 3b9x n ASP 11 N -0.36 2.26 -4.75 0.00 5.75 -1.26 -1.30 116.55 116.88 3b9x n ASP 11 Ca -0.09 -3.22 -0.41 0.00 -0.01 0.00 0.00 54.79 51.06 3b9x n ASP 11 Cb 0.62 -0.61 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 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 -2.50 4.24 0.00 0.11 0.02 -1.26 -4.21 135.00 131.40 3b9x s PRO 12 Ca 0.42 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.79 3b9x s PRO 12 Cb 0.26 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.69 3b9x s PRO 12 CO -0.09 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.55 3b9x n GLY 13 N 2.04 1.27 0.19 0.52 0.00 -0.40 -4.35 105.19 104.47 3b9x n GLY 13 Ca 0.06 -1.13 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.39 0.00 1.61 3.86 -1.91 -2.18 115.15 116.15 3b9x h HIS 14 Ca 0.00 -0.01 -0.12 0.00 -1.16 0.00 0.00 60.37 59.08 3b9x h HIS 14 Cb 0.00 0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 3b9x h HIS 14 CO 0.00 -0.21 -0.57 0.38 0.86 0.00 0.00 177.93 178.39 3b9x h ASP 15 N -0.46 0.00 -0.72 2.45 2.03 -1.97 -2.93 116.42 114.82 3b9x h ASP 15 Ca -0.04 0.00 0.10 0.00 -0.73 0.00 0.00 57.03 56.36 3b9x h ASP 15 Cb 0.35 0.00 -0.08 0.00 -0.83 0.00 0.00 39.33 38.77 3b9x h ASP 15 CO 0.07 0.57 0.35 0.44 -1.03 0.00 0.00 179.24 179.64 3b9x h ASP 16 N 0.00 0.44 -0.89 4.15 3.32 -1.91 -1.18 116.42 120.34 3b9x h ASP 16 Ca -0.01 0.07 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3b9x h ASP 16 Cb 1.24 -0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.74 3b9x h ASP 16 CO 0.07 0.24 0.58 0.00 -1.72 0.00 0.00 179.24 178.41 3b9x h ALA 17 N 1.45 1.16 -0.51 3.45 0.00 -1.21 0.63 119.26 124.24 3b9x h ALA 17 Ca 0.36 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3b9x h ALA 17 Cb 0.42 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3b9x h ALA 17 CO -0.29 0.48 -0.09 0.82 0.00 0.00 0.00 179.25 180.16 3b9x h ILE 18 N 1.16 1.26 -0.49 0.00 1.08 -1.37 -1.16 117.51 117.99 3b9x h ILE 18 Ca 0.34 -1.21 -0.01 0.00 -0.39 0.00 0.00 64.86 63.59 3b9x h ILE 18 Cb -0.06 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 3b9x h ILE 18 CO -0.10 0.43 0.26 0.00 -0.69 0.00 0.00 178.15 178.05 3b9x h ALA 19 N 1.04 0.64 -0.82 1.87 0.00 -0.68 -1.04 119.26 120.27 3b9x h ALA 19 Ca 0.14 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3b9x h ALA 19 Cb 0.63 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3b9x h ALA 19 CO 0.04 0.17 0.54 0.82 0.00 0.00 0.00 179.25 180.82 3b9x h ILE 20 N 0.66 1.19 -0.33 0.00 2.04 -0.55 -0.60 117.51 119.92 3b9x h ILE 20 Ca 0.17 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3b9x h ILE 20 Cb 0.07 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 3b9x h ILE 20 CO -0.03 0.20 0.21 -0.03 0.00 0.00 0.00 178.15 178.50 3b9x h MET 21 N 1.09 0.45 -0.07 2.37 4.05 -0.88 -2.28 114.93 119.66 3b9x h MET 21 Ca 0.31 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.65 3b9x h MET 21 Cb -0.10 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 30.60 3b9x h MET 21 CO -0.08 0.32 -0.13 0.52 0.23 0.00 0.00 176.91 177.78 3b9x h MET 22 N 0.44 0.21 -0.86 0.39 2.86 -0.66 -3.17 114.93 114.14 3b9x h MET 22 Ca 0.12 -0.14 0.00 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 31.62 3b9x h MET 22 CO -0.02 0.72 0.54 0.00 1.06 0.00 0.00 176.91 179.20 3b9x h ALA 23 N 0.50 1.34 0.00 6.32 0.00 -1.14 -1.98 119.26 124.30 3b9x h ALA 23 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3b9x h ALA 23 Cb 0.71 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3b9x h ALA 23 CO 0.03 0.59 -0.34 0.00 0.00 0.00 0.00 179.25 179.53 3b9x h ALA 24 N 1.42 1.00 0.01 0.00 0.00 -1.45 -3.36 119.26 116.88 3b9x h ALA 24 Ca 0.31 -0.31 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 3b9x h ALA 24 Cb -0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.58 3b9x h ALA 24 CO -0.06 0.42 -2.40 1.17 0.00 0.00 0.00 179.25 178.38 3b9x n LYS 25 N -3.50 0.67 -2.15 0.00 3.00 -0.84 -4.93 118.16 110.41 3b9x n LYS 25 Ca -0.00 0.13 -0.42 0.00 -0.00 0.00 0.00 58.31 58.01 3b9x n LYS 25 Cb 0.49 -1.54 -0.03 0.00 0.00 0.00 0.00 35.03 33.95 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 -2.52 2.89 0.65 5.64 2.46 -0.80 -4.92 115.29 118.69 3b9x s HIS 26 Ca -0.27 0.76 0.40 0.00 0.47 0.00 0.00 55.06 56.42 3b9x s HIS 26 Cb 0.08 -3.73 2.26 0.00 -0.13 0.00 0.00 32.58 31.06 3b9x s HIS 26 CO 0.68 -2.71 2.34 -1.00 -2.47 0.00 0.00 174.74 171.58 3b9x h PRO 27 N 7.60 0.00 0.00 2.88 0.13 -1.92 -2.16 132.00 138.52 3b9x h PRO 27 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3b9x h PRO 27 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3b9x h PRO 27 CO 0.90 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.67 3b9x n ALA 28 N -2.15 2.50 -2.98 -0.56 0.00 -1.26 -4.73 120.51 111.32 3b9x n ALA 28 Ca -0.03 -0.15 -0.32 0.00 0.00 0.00 0.00 53.44 52.94 3b9x n ALA 28 Cb 0.07 -1.49 -0.15 0.00 0.00 0.00 0.00 19.45 17.88 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 -2.46 2.56 -0.50 0.00 -1.09 -0.81 -1.20 121.20 117.69 3b9x s ILE 29 Ca 0.32 -0.86 -0.07 0.00 -2.23 0.00 0.00 60.65 57.81 3b9x s ILE 29 Cb 0.20 -2.01 0.13 0.00 -1.58 0.00 0.00 42.46 39.20 3b9x s ILE 29 CO 0.44 0.55 0.36 -0.62 -1.23 0.00 0.00 174.94 174.43 3b9x s ASP 30 N 0.12 5.62 -0.66 3.58 -1.08 0.16 -4.80 116.67 119.62 3b9x s ASP 30 Ca -0.09 -2.11 -0.26 0.00 -0.52 0.00 0.00 52.55 49.57 3b9x s ASP 30 Cb -0.16 -1.97 0.04 0.00 -1.46 0.00 0.00 42.92 39.38 3b9x s ASP 30 CO 0.06 -0.62 1.13 -0.22 0.52 0.00 0.00 175.17 176.04 3b9x s LEU 31 N 1.06 3.68 0.18 -1.34 2.96 -1.26 -0.81 118.68 123.15 3b9x s LEU 31 Ca 0.08 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3b9x s LEU 31 Cb -0.24 -2.68 0.08 0.00 0.50 0.00 0.00 46.19 43.85 3b9x s LEU 31 CO -0.02 -1.57 1.45 -0.07 -1.32 0.00 0.00 176.35 174.82 3b9x h LEU 32 N 12.06 0.48 0.00 -0.68 3.38 -1.59 -3.48 115.31 125.47 3b9x h LEU 32 Ca -0.27 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.39 3b9x h LEU 32 Cb 1.06 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3b9x h LEU 32 CO 1.21 1.03 0.00 0.61 0.09 0.00 0.00 178.44 181.37 3b9x n GLY 33 N 0.49 0.59 3.29 0.83 0.00 -1.25 -4.61 105.19 104.53 3b9x n GLY 33 Ca -0.04 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 3b9x n GLY 33 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3b9x s ILE 34 N -2.00 2.79 -0.04 -0.61 1.01 -0.67 -2.10 121.20 119.57 3b9x s ILE 34 Ca 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.93 3b9x s ILE 34 Cb 0.00 -2.18 -0.03 0.00 0.01 0.00 0.00 42.46 40.26 3b9x s ILE 34 CO 0.00 0.51 -0.04 0.42 0.00 0.00 0.00 174.94 175.83 3b9x s THR 35 N 0.75 3.92 -0.06 2.92 -4.23 -0.39 -0.93 115.64 117.62 3b9x s THR 35 Ca -0.06 -0.51 0.02 0.00 -1.18 0.00 0.00 61.69 59.96 3b9x s THR 35 Cb -0.15 -2.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.00 3b9x s THR 35 CO 0.01 0.51 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.86 3b9x s ILE 36 N -0.92 3.31 0.07 2.99 -1.09 0.14 -1.06 121.20 124.65 3b9x s ILE 36 Ca 0.15 -0.62 0.07 0.00 -2.23 0.00 0.00 60.65 58.01 3b9x s ILE 36 Cb -0.11 -2.33 -0.03 0.00 -1.58 0.00 0.00 42.46 38.41 3b9x s ILE 36 CO 0.05 0.59 -0.18 0.54 -1.23 0.00 0.00 174.94 174.71 3b9x s VAL 37 N -0.71 1.46 0.48 2.92 0.11 -0.42 -1.44 120.40 122.80 3b9x s VAL 37 Ca 0.11 -1.33 -0.24 0.00 -2.93 0.00 0.00 61.98 57.60 3b9x s VAL 37 Cb -0.11 -1.33 -0.07 0.00 -1.53 0.00 0.00 36.38 33.35 3b9x s VAL 37 CO 0.01 -0.04 1.33 0.00 -3.33 0.00 0.00 175.10 173.08 3b9x s ALA 38 N -1.06 3.03 0.00 1.54 0.00 -0.82 -4.25 121.76 120.20 3b9x s ALA 38 Ca 0.04 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.28 3b9x s ALA 38 Cb -0.09 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3b9x s ALA 38 CO 0.03 -1.11 0.00 0.41 0.00 0.00 0.00 175.76 175.09 3b9x n GLY 39 N 0.63 -1.79 0.31 0.00 0.00 -1.26 -4.58 105.19 98.50 3b9x n GLY 39 Ca 0.07 0.80 0.11 0.00 0.00 0.00 0.00 46.02 47.00 3b9x n GLY 39 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3b9x n ASN 40 N 0.00 -0.15 -3.80 1.61 5.03 -1.26 -3.66 115.26 113.02 3b9x n ASN 40 Ca 0.00 1.50 -0.15 0.00 0.87 0.00 0.00 54.58 56.80 3b9x n ASN 40 Cb 0.00 -0.53 -0.09 0.00 -1.02 0.00 0.00 39.78 38.15 3b9x n ASN 40 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3b9x s GLN 41 N -5.91 1.47 0.77 3.52 -1.52 -1.26 -1.24 119.66 115.48 3b9x s GLN 41 Ca -0.12 -1.77 -0.15 0.00 -1.95 0.00 0.00 55.36 51.37 3b9x s GLN 41 Cb 0.25 0.31 0.06 0.00 -0.22 0.00 0.00 33.01 33.41 3b9x s GLN 41 CO 0.69 -0.53 1.21 0.25 -0.25 0.00 0.00 175.29 176.66 3b9x n THR 42 N -0.43 2.81 -0.18 -0.19 -2.24 -1.26 -4.58 114.28 108.22 3b9x n THR 42 Ca 0.04 -0.29 0.06 0.00 -2.27 0.00 0.00 64.05 61.59 3b9x n THR 42 Cb 0.64 -1.27 0.34 0.00 -2.10 0.00 0.00 70.33 67.95 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 -0.52 0.68 -1.24 3.22 5.85 -1.88 -0.77 115.31 120.66 3b9x h LEU 43 Ca -0.47 -0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.39 3b9x h LEU 43 Cb 1.31 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 3b9x h LEU 43 CO 0.48 0.45 0.58 -2.24 -0.34 0.00 0.00 178.44 177.37 3b9x h ASP 44 N 0.78 0.70 0.00 1.25 2.03 -1.97 -0.89 116.42 118.32 3b9x h ASP 44 Ca 0.30 0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.64 3b9x h ASP 44 Cb 0.20 -0.09 -0.00 0.00 -0.83 0.00 0.00 39.33 38.60 3b9x h ASP 44 CO -0.10 0.35 -0.04 0.11 -1.03 0.00 0.00 179.24 178.54 3b9x h LYS 45 N 0.74 0.00 -0.39 4.15 1.57 -1.53 -3.16 116.57 117.95 3b9x h LYS 45 Ca 0.46 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.23 3b9x h LYS 45 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3b9x h LYS 45 CO -0.22 0.96 0.23 1.79 -0.57 0.00 0.00 179.45 181.64 3b9x h THR 46 N -1.00 1.12 0.62 -0.16 1.35 -1.18 -1.35 112.91 112.31 3b9x h THR 46 Ca -0.01 -0.27 -0.03 0.00 -0.55 0.00 0.00 66.41 65.55 3b9x h THR 46 Cb 0.97 0.58 0.01 0.00 -1.73 0.00 0.00 68.15 67.97 3b9x h THR 46 CO -0.01 0.12 -0.30 0.25 -0.25 0.00 0.00 175.52 175.34 3b9x h LEU 47 N 0.53 -0.70 -0.48 3.87 5.85 -1.29 -1.00 115.31 122.09 3b9x h LEU 47 Ca 0.14 0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3b9x h LEU 47 Cb -0.01 0.18 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3b9x h LEU 47 CO -0.03 -0.49 0.14 0.40 -0.34 0.00 0.00 178.44 178.13 3b9x h ILE 48 N -0.85 0.80 -0.33 4.05 2.04 -1.44 0.50 117.51 122.28 3b9x h ILE 48 Ca -0.08 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.72 3b9x h ILE 48 Cb 0.64 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 3b9x h ILE 48 CO 0.14 0.06 0.04 0.78 0.00 0.00 0.00 178.15 179.16 3b9x h ASN 49 N 0.30 -0.06 -0.37 1.72 2.35 -1.25 0.21 115.58 118.48 3b9x h ASN 49 Ca 0.23 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 3b9x h ASN 49 Cb 0.27 0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 3b9x h ASN 49 CO -0.26 0.01 0.24 1.23 -1.65 0.00 0.00 177.43 176.99 3b9x h GLY 50 N 0.14 0.52 0.98 2.83 0.00 -0.74 -1.78 103.07 105.02 3b9x h GLY 50 Ca 0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3b9x h GLY 50 CO -0.23 0.19 0.20 1.41 0.00 0.00 0.00 176.54 178.11 3b9x h LEU 51 N 0.49 0.39 -1.09 3.11 3.38 -0.40 -2.90 115.31 118.29 3b9x h LEU 51 Ca 0.13 -0.04 0.07 0.00 0.09 0.00 0.00 57.88 58.13 3b9x h LEU 51 Cb -0.05 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3b9x h LEU 51 CO -0.03 0.31 0.61 0.78 0.09 0.00 0.00 178.44 180.21 3b9x h ASN 52 N 0.43 0.95 0.36 -0.43 -0.26 -0.45 0.12 115.58 116.29 3b9x h ASN 52 Ca 0.12 0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.85 3b9x h ASN 52 Cb -0.01 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.07 3b9x h ASN 52 CO -0.02 0.60 -0.17 0.58 -1.06 0.00 0.00 177.43 177.35 3b9x h VAL 53 N 1.07 0.66 -0.62 2.81 2.07 -1.24 -1.48 116.25 119.52 3b9x h VAL 53 Ca 0.41 -0.33 0.04 0.00 0.82 0.00 0.00 66.70 67.65 3b9x h VAL 53 Cb 0.22 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3b9x h VAL 53 CO -0.17 0.06 0.37 0.00 0.02 0.00 0.00 177.57 177.85 3b9x h GLN 55 N 0.71 0.18 -0.81 0.00 4.15 -0.94 0.17 115.11 118.57 3b9x h GLN 55 Ca 0.26 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.68 3b9x h GLN 55 Cb 0.08 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 3b9x h GLN 55 CO -0.13 0.14 0.54 -0.22 -1.93 0.00 0.00 178.83 177.22 3b9x h LYS 56 N 0.17 1.07 -0.17 1.69 1.63 -1.13 -2.07 116.57 117.76 3b9x h LYS 56 Ca 0.05 -0.06 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3b9x h LYS 56 Cb -0.00 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.39 3b9x h LYS 56 CO -0.01 0.71 0.00 1.28 -3.45 0.00 0.00 179.45 177.98 3b9x n LEU 57 N -4.52 1.95 -3.83 5.20 4.77 -0.75 -4.94 117.00 114.88 3b9x n LEU 57 Ca 0.08 -0.79 -0.24 0.00 -0.03 0.00 0.00 56.01 55.03 3b9x n LEU 57 Cb 0.01 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 3b9x n LEU 57 CO 0.36 0.40 -0.16 -0.62 -1.33 0.00 0.00 177.39 176.04 3b9x n GLU 58 N 0.51 -3.84 -3.31 3.23 1.02 -0.04 -4.95 120.64 113.25 3b9x n GLU 58 Ca 0.17 0.50 -0.39 0.00 -0.02 0.00 0.00 57.16 57.42 3b9x n GLU 58 Cb 0.38 -4.78 -0.07 0.00 -0.02 0.00 0.00 31.44 26.96 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 -3.82 5.15 -1.06 -3.67 1.01 0.39 -5.02 121.20 114.17 3b9x s ILE 59 Ca 0.02 0.84 -0.07 0.00 0.00 0.00 0.00 60.65 61.45 3b9x s ILE 59 Cb -0.01 -3.79 0.27 0.00 0.01 0.00 0.00 42.46 38.95 3b9x s ILE 59 CO 0.86 0.21 1.12 0.59 0.00 0.00 0.00 174.94 177.71 3b9x n ASN 60 N 4.65 5.42 -3.80 3.58 3.02 -1.26 -4.65 115.26 122.22 3b9x n ASN 60 Ca -0.06 -3.13 -0.16 0.00 -0.03 0.00 0.00 54.58 51.20 3b9x n ASN 60 Cb 0.51 -1.29 -0.16 0.00 -0.61 0.00 0.00 39.78 38.23 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 -1.61 0.05 0.31 2.41 1.01 -1.26 -5.13 120.40 116.18 3b9x s VAL 61 Ca 0.31 0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 3b9x s VAL 61 Cb -0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 36.38 36.04 3b9x s VAL 61 CO -0.05 0.11 1.55 -2.65 0.00 0.00 0.00 175.10 174.05 3b9x n PRO 62 N 4.09 2.62 -4.63 2.72 -0.02 -1.26 -4.83 135.00 133.69 3b9x n PRO 62 Ca -0.27 0.93 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 3b9x n PRO 62 Cb 0.51 -2.68 -0.13 0.00 -0.02 0.00 0.00 33.50 31.17 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 -0.25 3.43 -0.07 -1.45 1.01 -1.26 -1.67 120.40 120.14 3b9x s VAL 63 Ca 0.62 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3b9x s VAL 63 Cb -0.51 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.42 3b9x s VAL 63 CO 0.52 0.52 -0.17 -0.31 0.00 0.00 0.00 175.10 175.66 3b9x s TYR 64 N 0.22 1.83 0.09 5.22 2.02 -0.11 -0.35 117.35 126.26 3b9x s TYR 64 Ca -0.06 -0.66 -0.23 0.00 -0.37 0.00 0.00 57.07 55.75 3b9x s TYR 64 Cb -0.15 -1.27 -0.07 0.00 -0.40 0.00 0.00 41.96 40.08 3b9x s TYR 64 CO 0.04 -0.28 0.69 0.00 -1.57 0.00 0.00 175.55 174.43 3b9x s ALA 65 N 0.40 3.47 0.00 3.71 0.00 -1.26 -0.68 121.76 127.40 3b9x s ALA 65 Ca -0.13 0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.04 3b9x s ALA 65 Cb -0.15 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.11 3b9x s ALA 65 CO 0.05 0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.46 3b9x n GLY 66 N 1.95 2.30 3.68 0.00 0.00 -0.52 -1.29 105.19 111.31 3b9x n GLY 66 Ca -0.06 -0.09 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 4.04 4.31 0.00 1.61 -1.94 -1.26 -4.90 119.30 121.16 3b9x s MET 67 Ca 0.00 1.64 0.19 0.00 -1.71 0.00 0.00 55.69 55.81 3b9x s MET 67 Cb 0.00 -3.64 0.85 0.00 2.01 0.00 0.00 34.83 34.05 3b9x s MET 67 CO 0.00 -0.55 1.58 -0.35 -0.01 0.00 0.00 175.02 175.70 3b9x n PRO 68 N 5.77 1.39 -3.52 2.03 -0.04 -1.26 -1.94 135.00 137.43 3b9x n PRO 68 Ca 0.12 -0.59 -0.17 0.00 -0.04 0.00 0.00 63.50 62.82 3b9x n PRO 68 Cb 0.46 -1.33 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 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 -1.88 1.03 0.84 0.54 -1.52 -1.26 -4.62 119.66 112.79 3b9x s GLN 69 Ca 0.29 0.19 -0.11 0.00 -1.95 0.00 0.00 55.36 53.77 3b9x s GLN 69 Cb 0.14 0.48 0.10 0.00 -0.22 0.00 0.00 33.01 33.52 3b9x s GLN 69 CO 0.23 -0.33 1.09 -1.25 -0.25 0.00 0.00 175.29 174.78 3b9x s PRO 70 N -1.39 1.68 0.39 2.91 0.04 -1.26 -4.95 135.00 132.42 3b9x s PRO 70 Ca -0.09 0.97 0.12 0.00 0.04 0.00 0.00 61.00 62.04 3b9x s PRO 70 Cb -0.00 -1.85 0.80 0.00 0.04 0.00 0.00 34.50 33.49 3b9x s PRO 70 CO 0.07 -1.99 1.88 -0.84 0.04 0.00 0.00 177.00 176.17 3b9x h ILE 71 N -1.37 1.21 0.00 0.56 3.07 -1.92 -3.41 117.51 115.65 3b9x h ILE 71 Ca -0.47 -1.00 0.00 0.00 1.55 0.00 0.00 64.86 64.94 3b9x h ILE 71 Cb 1.26 1.49 0.00 0.00 -0.27 0.00 0.00 36.82 39.31 3b9x h ILE 71 CO 0.53 0.29 -0.26 0.80 -1.05 0.00 0.00 178.15 178.46 3b9x n MET 72 N -4.19 0.00 -1.37 0.16 0.00 -1.26 -5.09 117.12 105.37 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 0.34 -0.41 0.15 0.00 0.00 0.00 0.00 33.22 33.30 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 -1.60 0.99 0.17 2.12 1.70 -1.26 -5.00 118.95 116.07 3b9x s ARG 73 Ca 0.00 0.46 -0.30 0.00 -0.47 0.00 0.00 55.73 55.42 3b9x s ARG 73 Cb 0.00 -1.81 -0.08 0.00 -0.57 0.00 0.00 34.95 32.49 3b9x s ARG 73 CO 0.00 -2.33 1.33 -0.65 -1.08 0.00 0.00 175.30 172.56 3b9x s GLN 74 N -5.11 4.37 0.53 3.89 -1.52 -1.26 -4.67 119.66 115.89 3b9x s GLN 74 Ca 0.64 2.05 -0.22 0.00 -1.95 0.00 0.00 55.36 55.88 3b9x s GLN 74 Cb -0.16 -3.22 -0.05 0.00 -0.22 0.00 0.00 33.01 29.36 3b9x s GLN 74 CO 0.55 -0.31 1.34 -1.14 -0.25 0.00 0.00 175.29 175.49 3b9x s GLN 75 N 0.30 3.23 0.06 2.91 0.74 -1.26 -5.03 119.66 120.60 3b9x s GLN 75 Ca 0.59 2.19 0.04 0.00 0.05 0.00 0.00 55.36 58.23 3b9x s GLN 75 Cb -0.36 -2.29 -0.03 0.00 1.10 0.00 0.00 33.01 31.43 3b9x s GLN 75 CO 0.35 -1.11 -0.11 0.96 -0.55 0.00 0.00 175.29 174.83 3b9x s ILE 76 N -1.32 0.84 0.35 -2.34 -4.36 -1.26 -5.14 121.20 107.96 3b9x s ILE 76 Ca 0.70 -1.21 0.09 0.00 -0.26 0.00 0.00 60.65 59.97 3b9x s ILE 76 Cb -0.39 -0.87 -0.05 0.00 1.25 0.00 0.00 42.46 42.40 3b9x s ILE 76 CO 0.47 -0.31 0.02 0.68 0.24 0.00 0.00 174.94 176.04 3b9x s VAL 77 N -1.35 2.58 -0.16 8.37 -7.23 -1.26 -4.81 120.40 116.53 3b9x s VAL 77 Ca -0.05 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.03 3b9x s VAL 77 Cb -0.10 -2.82 -0.08 0.00 0.56 0.00 0.00 36.38 33.94 3b9x s VAL 77 CO 0.01 -0.18 -0.05 0.00 -0.31 0.00 0.00 175.10 174.58 3b9x h ALA 78 N 1.78 0.09 0.00 1.32 0.00 -1.24 -3.49 119.26 117.72 3b9x h ALA 78 Ca -0.43 -0.75 -0.25 0.00 0.00 0.00 0.00 54.91 53.48 3b9x h ALA 78 Cb 1.25 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 19.58 3b9x h ALA 78 CO 0.68 0.57 -1.96 -3.47 0.00 0.00 0.00 179.25 175.07 3b9x n ASP 84 N -4.56 2.46 0.02 0.00 2.03 -1.26 -4.78 116.55 110.47 3b9x n ASP 84 Ca -0.16 -0.07 0.12 0.00 0.52 0.00 0.00 54.79 55.20 3b9x n ASP 84 Cb 0.40 -0.03 0.29 0.00 -0.72 0.00 0.00 41.12 41.06 3b9x n ASP 84 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3b9x n THR 85 N -2.89 0.14 -0.26 5.18 -2.24 -1.26 -4.96 114.28 107.99 3b9x n THR 85 Ca -0.28 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3b9x n THR 85 Cb 0.85 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 3b9x n THR 85 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b9x n GLY 86 N 1.44 0.89 2.69 3.38 0.00 -1.26 -4.65 105.19 107.69 3b9x n GLY 86 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.07 -4.76 0.99 7.94 -1.26 -1.27 117.00 117.57 3b9x n LEU 87 Ca 0.00 -3.48 -0.35 0.00 -1.11 0.00 0.00 56.01 51.07 3b9x n LEU 87 Cb 0.00 0.13 0.03 0.00 0.53 0.00 0.00 43.42 44.11 3b9x n LEU 87 CO 0.00 1.79 0.79 -1.81 -1.11 0.00 0.00 177.39 177.05 3b9x s ASP 88 N -1.67 5.24 0.00 1.96 1.01 -1.26 -4.42 116.67 117.53 3b9x s ASP 88 Ca 0.22 2.22 0.00 0.00 0.71 0.00 0.00 52.55 55.70 3b9x s ASP 88 Cb 0.41 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.76 3b9x s ASP 88 CO -0.06 -1.55 0.00 0.61 0.21 0.00 0.00 175.17 174.38 3b9x n GLY 89 N 0.13 2.07 3.77 0.21 0.00 -1.26 -4.72 105.19 105.39 3b9x n GLY 89 Ca 0.12 -0.57 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 3.01 -0.19 1.61 0.04 -1.26 -4.83 135.00 133.38 3b9x s PRO 90 Ca 0.00 1.46 -0.06 0.00 0.04 0.00 0.00 61.00 62.44 3b9x s PRO 90 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 3b9x s PRO 90 CO 0.00 -1.09 0.02 0.08 0.04 0.00 0.00 177.00 176.05 3b9x s VAL 91 N -2.15 4.29 -0.07 -0.36 1.01 -1.26 -5.08 120.40 116.77 3b9x s VAL 91 Ca 0.69 -0.20 0.03 0.00 0.00 0.00 0.00 61.98 62.49 3b9x s VAL 91 Cb -0.21 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3b9x s VAL 91 CO 0.36 0.44 -0.15 -0.36 0.00 0.00 0.00 175.10 175.40 3b9x s PHE 92 N 0.74 2.72 1.16 5.22 0.08 -1.26 -5.14 117.98 121.49 3b9x s PHE 92 Ca 0.01 -0.33 -0.17 0.00 0.12 0.00 0.00 56.93 56.55 3b9x s PHE 92 Cb -0.14 -1.69 0.18 0.00 -0.57 0.00 0.00 43.02 40.80 3b9x s PHE 92 CO 0.02 0.04 0.32 0.39 -0.10 0.00 0.00 175.22 175.90 3b9x n GLU 93 N 2.71 -2.21 -1.78 0.44 -0.58 -1.26 -4.94 120.64 113.03 3b9x n GLU 93 Ca -0.17 -0.63 -0.42 0.00 -0.42 0.00 0.00 57.16 55.52 3b9x n GLU 93 Cb 0.52 -1.79 -0.02 0.00 -0.57 0.00 0.00 31.44 29.58 3b9x n GLU 93 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3b9x s PRO 94 N -3.78 4.12 0.12 3.49 0.02 -1.26 -4.94 135.00 132.78 3b9x s PRO 94 Ca 0.58 2.58 -0.31 0.00 0.02 0.00 0.00 61.00 63.86 3b9x s PRO 94 Cb -0.14 -3.03 -0.11 0.00 0.02 0.00 0.00 34.50 31.24 3b9x s PRO 94 CO 0.62 -0.64 1.83 1.28 -0.33 0.00 0.00 177.00 179.75 3b9x n LEU 95 N 2.36 4.00 -0.87 -5.54 4.77 -1.26 -4.93 117.00 115.52 3b9x n LEU 95 Ca 0.09 0.99 0.08 0.00 -0.03 0.00 0.00 56.01 57.14 3b9x n LEU 95 Cb 0.37 -1.54 0.24 0.00 -2.33 0.00 0.00 43.42 40.16 3b9x n LEU 95 CO 0.64 0.16 0.69 0.35 -1.33 0.00 0.00 177.39 177.90 3b9x n THR 96 N 4.63 1.93 -4.20 -5.08 -2.24 -1.26 -5.01 114.28 103.05 3b9x n THR 96 Ca 0.18 -1.60 -0.12 0.00 -2.27 0.00 0.00 64.05 60.24 3b9x n THR 96 Cb 0.37 -0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.46 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 -2.29 1.02 0.10 -0.78 1.70 -1.26 -5.18 118.95 112.26 3b9x s ARG 97 Ca 0.38 -1.48 0.02 0.00 -0.47 0.00 0.00 55.73 54.17 3b9x s ARG 97 Cb 0.28 -0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 3b9x s ARG 97 CO 0.11 -0.17 -0.07 1.14 -1.08 0.00 0.00 175.30 175.24 3b9x s GLN 98 N -3.96 0.84 0.74 3.89 -2.07 -1.26 -5.07 119.66 112.77 3b9x s GLN 98 Ca 0.23 -1.33 -0.15 0.00 -1.82 0.00 0.00 55.36 52.29 3b9x s GLN 98 Cb 0.07 -0.24 0.04 0.00 -1.09 0.00 0.00 33.01 31.79 3b9x s GLN 98 CO 0.02 -0.01 1.24 0.00 -1.32 0.00 0.00 175.29 175.23 3b9x s ALA 99 N -3.54 2.07 1.32 2.60 0.00 -1.26 -4.82 121.76 118.14 3b9x s ALA 99 Ca 0.12 0.99 -0.19 0.00 0.00 0.00 0.00 51.96 52.88 3b9x s ALA 99 Cb 0.05 -3.51 0.33 0.00 0.00 0.00 0.00 23.12 19.99 3b9x s ALA 99 CO -0.04 -1.98 0.97 -1.21 0.00 0.00 0.00 175.76 173.50 3b9x s GLU 100 N -3.82 -2.14 -0.04 0.00 0.41 0.52 -4.99 118.70 108.64 3b9x s GLU 100 Ca 0.77 0.36 0.19 0.00 -0.41 0.00 0.00 54.97 55.88 3b9x s GLU 100 Cb -0.32 -1.45 -0.23 0.00 -1.78 0.00 0.00 34.13 30.35 3b9x s GLU 100 CO 0.46 -4.41 0.49 -1.13 -0.49 0.00 0.00 175.26 170.18 3b9x n SER 101 N -5.33 0.31 -4.72 -0.19 3.41 -1.26 -4.75 113.62 101.08 3b9x n SER 101 Ca 0.09 0.13 -0.42 0.00 -0.26 0.00 0.00 58.87 58.41 3b9x n SER 101 Cb 0.58 1.05 -0.03 0.00 -0.26 0.00 0.00 64.21 65.56 3b9x n SER 101 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3b9x s THR 102 N -3.02 2.73 0.39 6.66 2.01 -1.26 -4.97 115.64 118.17 3b9x s THR 102 Ca -0.07 0.53 -0.27 0.00 0.31 0.00 0.00 61.69 62.20 3b9x s THR 102 Cb 0.10 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 3b9x s THR 102 CO 0.85 0.05 1.31 -2.28 -0.69 0.00 0.00 174.62 173.86 3b9x s HIS 103 N 0.97 2.84 0.33 4.92 2.46 -1.26 -4.50 115.29 121.05 3b9x s HIS 103 Ca 0.68 1.40 0.10 0.00 0.47 0.00 0.00 55.06 57.70 3b9x s HIS 103 Cb -0.42 -3.69 0.87 0.00 -0.13 0.00 0.00 32.58 29.20 3b9x s HIS 103 CO 0.33 -2.10 1.77 0.00 -2.47 0.00 0.00 174.74 172.26 3b9x h ALA 104 N 2.82 1.84 -0.38 1.58 0.00 -1.45 -0.46 119.26 123.20 3b9x h ALA 104 Ca -0.50 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 3b9x h ALA 104 Cb 1.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3b9x h ALA 104 CO 0.63 -0.24 -0.18 0.28 0.00 0.00 0.00 179.25 179.74 3b9x h VAL 105 N 0.63 1.28 -0.21 0.00 2.07 -1.89 -1.21 116.25 116.92 3b9x h VAL 105 Ca 0.59 -1.30 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 3b9x h VAL 105 Cb 1.11 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 3b9x h VAL 105 CO -0.38 0.43 -0.05 0.50 0.02 0.00 0.00 177.57 178.10 3b9x h LYS 106 N 0.59 0.40 -0.68 1.57 3.64 -1.71 -2.21 116.57 118.16 3b9x h LYS 106 Ca 0.09 -0.15 0.15 0.00 -1.27 0.00 0.00 60.65 59.46 3b9x h LYS 106 Cb 0.72 -0.02 -0.11 0.00 -0.41 0.00 0.00 32.23 32.41 3b9x h LYS 106 CO 0.05 0.64 0.08 -0.92 -2.27 0.00 0.00 179.45 177.04 3b9x h TYR 107 N 0.12 0.11 -0.36 1.91 3.20 -1.03 -0.35 116.97 120.57 3b9x h TYR 107 Ca 0.05 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3b9x h TYR 107 Cb 0.49 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 3b9x h TYR 107 CO 0.05 -0.13 0.03 0.82 -1.64 0.00 0.00 178.16 177.28 3b9x h ILE 108 N 0.19 1.25 0.31 1.81 2.04 -1.08 -1.15 117.51 120.88 3b9x h ILE 108 Ca 0.37 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 65.29 3b9x h ILE 108 Cb 0.62 1.15 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3b9x h ILE 108 CO -0.53 0.31 -0.15 0.40 0.00 0.00 0.00 178.15 178.18 3b9x h ILE 109 N 0.44 0.71 -0.51 -0.67 2.04 -0.97 -2.08 117.51 116.47 3b9x h ILE 109 Ca 0.10 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3b9x h ILE 109 Cb 0.42 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 3b9x h ILE 109 CO 0.01 0.07 0.18 0.44 0.00 0.00 0.00 178.15 178.86 3b9x h ASP 110 N -0.62 0.71 -0.85 1.72 3.32 -1.07 -0.59 116.42 119.05 3b9x h ASP 110 Ca -0.04 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 3b9x h ASP 110 Cb 0.44 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 3b9x h ASP 110 CO 0.07 0.70 0.43 0.74 -1.72 0.00 0.00 179.24 179.46 3b9x h THR 111 N 0.68 1.26 -0.06 0.35 2.02 -1.23 -0.78 112.91 115.15 3b9x h THR 111 Ca 0.17 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.63 3b9x h THR 111 Cb 0.23 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.78 3b9x h THR 111 CO -0.01 0.30 -0.06 -0.07 0.37 0.00 0.00 175.52 176.05 3b9x h LEU 112 N 1.20 0.15 -0.87 2.58 3.38 -1.18 -2.67 115.31 117.91 3b9x h LEU 112 Ca 0.30 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.86 3b9x h LEU 112 Cb 0.09 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 3b9x h LEU 112 CO -0.04 0.62 0.51 0.24 0.09 0.00 0.00 178.44 179.86 3b9x h MET 113 N -0.31 0.83 0.00 1.13 2.86 -1.07 -2.38 114.93 115.99 3b9x h MET 113 Ca 0.01 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3b9x h MET 113 Cb 0.58 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.05 3b9x h MET 113 CO 0.02 0.55 0.00 0.00 1.06 0.00 0.00 176.91 178.53 3b9x h ALA 114 N 1.47 1.00 -2.22 6.32 0.00 -1.18 -3.47 119.26 121.18 3b9x h ALA 114 Ca 0.41 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.88 3b9x h ALA 114 Cb 0.36 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.31 3b9x h ALA 114 CO -0.24 0.00 0.33 -1.54 0.00 0.00 0.00 179.25 177.80 3b9x s SER 115 N -5.29 2.97 -0.18 0.00 1.04 -0.90 -4.99 113.70 106.34 3b9x s SER 115 Ca 0.04 0.58 0.15 0.00 0.48 0.00 0.00 55.95 57.20 3b9x s SER 115 Cb 0.09 -0.86 0.76 0.00 0.10 0.00 0.00 66.02 66.11 3b9x s SER 115 CO 0.54 -2.85 1.66 -0.67 0.98 0.00 0.00 173.24 172.90 3b9x n ASP 116 N -3.90 5.22 -0.12 7.02 2.03 -1.26 -4.93 116.55 120.61 3b9x n ASP 116 Ca 0.12 -2.72 -0.02 0.00 0.52 0.00 0.00 54.79 52.69 3b9x n ASP 116 Cb 0.60 -0.64 -0.01 0.00 -0.72 0.00 0.00 41.12 40.35 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 0.79 0.52 0.92 0.27 0.00 -1.26 -4.95 105.19 101.49 3b9x n GLY 117 Ca 0.26 -0.80 0.11 0.00 0.00 0.00 0.00 46.02 45.59 3b9x n GLY 117 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3b9x n ASP 118 N 1.33 2.96 -4.76 1.61 5.75 -1.26 -3.58 116.55 118.60 3b9x n ASP 118 Ca -0.02 -1.92 -0.37 0.00 -0.01 0.00 0.00 54.79 52.48 3b9x n ASP 118 Cb 0.06 -0.07 -0.06 0.00 -1.03 0.00 0.00 41.12 40.02 3b9x n ASP 118 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3b9x s ILE 119 N -1.67 5.22 -0.15 2.12 1.01 -1.26 -4.40 121.20 122.07 3b9x s ILE 119 Ca 0.28 0.71 -0.08 0.00 0.00 0.00 0.00 60.65 61.56 3b9x s ILE 119 Cb 0.19 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.92 3b9x s ILE 119 CO 0.28 0.43 0.15 -0.89 0.00 0.00 0.00 174.94 174.90 3b9x s THR 120 N 0.08 5.46 -0.03 2.92 2.01 -0.42 -1.96 115.64 123.70 3b9x s THR 120 Ca 0.21 0.22 -0.17 0.00 0.31 0.00 0.00 61.69 62.26 3b9x s THR 120 Cb -0.14 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 3b9x s THR 120 CO 0.08 0.55 0.46 -0.76 -0.69 0.00 0.00 174.62 174.25 3b9x s LEU 121 N -0.49 4.42 -0.56 4.42 1.43 -0.70 -2.10 118.68 125.10 3b9x s LEU 121 Ca 0.13 0.96 0.04 0.00 -1.03 0.00 0.00 54.13 54.23 3b9x s LEU 121 Cb -0.12 -2.67 0.15 0.00 0.03 0.00 0.00 46.19 43.58 3b9x s LEU 121 CO 0.02 0.21 0.36 -0.69 0.23 0.00 0.00 176.35 176.48 3b9x s VAL 122 N -0.52 2.11 -0.06 -1.59 1.01 -0.29 -1.41 120.40 119.66 3b9x s VAL 122 Ca 0.25 -3.44 -0.23 0.00 0.00 0.00 0.00 61.98 58.56 3b9x s VAL 122 Cb -0.17 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 3b9x s VAL 122 CO 0.13 -0.97 0.69 -2.84 0.00 0.00 0.00 175.10 172.11 3b9x s PRO 123 N -0.57 4.43 -0.02 2.72 0.02 -1.23 -1.01 135.00 139.34 3b9x s PRO 123 Ca 0.23 0.87 0.02 0.00 0.02 0.00 0.00 61.00 62.14 3b9x s PRO 123 Cb -0.12 -3.43 0.04 0.00 0.02 0.00 0.00 34.50 31.00 3b9x s PRO 123 CO -0.10 0.11 0.99 1.33 -0.33 0.00 0.00 177.00 179.00 3b9x n VAL 124 N 3.63 0.25 -3.84 3.83 0.24 0.04 -1.07 118.33 121.41 3b9x n VAL 124 Ca -0.02 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 3b9x n VAL 124 Cb 0.51 0.43 0.00 0.00 -1.47 0.00 0.00 33.84 33.32 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 -0.19 4.47 3.56 7.63 0.00 -1.25 -4.63 105.19 114.79 3b9x n GLY 125 Ca 0.02 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.82 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 0.07 -0.59 1.61 -0.02 -1.26 -4.89 135.00 129.93 3b9x n PRO 126 Ca 0.00 0.09 0.02 0.00 -2.02 0.00 0.00 63.50 61.58 3b9x n PRO 126 Cb 0.00 -2.12 0.23 0.00 -0.02 0.00 0.00 33.50 31.60 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 -1.97 4.13 -0.15 2.45 4.77 -1.26 -4.60 117.00 120.36 3b9x n LEU 127 Ca 0.11 -2.11 -0.04 0.00 -0.03 0.00 0.00 56.01 53.94 3b9x n LEU 127 Cb 0.51 -0.63 0.05 0.00 -2.33 0.00 0.00 43.42 41.03 3b9x n LEU 127 CO 0.49 0.53 0.97 0.28 -1.33 0.00 0.00 177.39 178.34 3b9x h SER 128 N 2.21 0.21 -0.82 -1.43 0.02 -1.90 -1.09 113.55 110.75 3b9x h SER 128 Ca 0.05 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 3b9x h SER 128 Cb 1.52 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 64.05 3b9x h SER 128 CO 0.36 0.15 0.40 0.78 -1.14 0.00 0.00 176.83 177.38 3b9x h ASN 129 N 0.37 1.08 -0.08 3.07 2.35 -1.93 -2.08 115.58 118.37 3b9x h ASN 129 Ca 0.23 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.79 3b9x h ASN 129 Cb 0.21 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.31 3b9x h ASN 129 CO -0.21 0.91 -0.18 0.40 -1.65 0.00 0.00 177.43 176.69 3b9x h ILE 130 N 1.18 1.41 -0.54 2.81 1.08 -1.82 -2.25 117.51 119.37 3b9x h ILE 130 Ca 0.28 -1.49 -0.10 0.00 -0.39 0.00 0.00 64.86 63.16 3b9x h ILE 130 Cb 0.12 2.17 -0.02 0.00 -3.07 0.00 0.00 36.82 36.02 3b9x h ILE 130 CO -0.04 0.42 -0.07 0.00 -0.69 0.00 0.00 178.15 177.78 3b9x h ALA 131 N 0.49 0.87 -0.21 1.87 0.00 -1.22 -1.15 119.26 119.91 3b9x h ALA 131 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3b9x h ALA 131 Cb 0.77 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3b9x h ALA 131 CO 0.04 0.65 0.09 0.28 0.00 0.00 0.00 179.25 180.32 3b9x h VAL 132 N 0.88 1.15 -0.34 0.00 2.07 -1.40 -2.41 116.25 116.20 3b9x h VAL 132 Ca 0.15 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.23 3b9x h VAL 132 Cb 0.60 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 3b9x h VAL 132 CO 0.04 0.15 0.21 0.00 0.02 0.00 0.00 177.57 177.99 3b9x h ALA 133 N 0.95 0.43 -0.80 1.67 0.00 -1.36 0.21 119.26 120.35 3b9x h ALA 133 Ca 0.07 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3b9x h ALA 133 Cb 0.15 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3b9x h ALA 133 CO -0.01 -0.13 0.51 0.52 0.00 0.00 0.00 179.25 180.13 3b9x h MET 134 N 0.43 0.94 0.00 0.00 2.86 -1.11 -0.57 114.93 117.48 3b9x h MET 134 Ca 0.13 -0.06 -0.20 0.00 -2.06 0.00 0.00 59.70 57.51 3b9x h MET 134 Cb -0.02 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.39 3b9x h MET 134 CO -0.05 0.62 -1.12 0.00 1.06 0.00 0.00 176.91 177.43 3b9x h ARG 135 N 0.97 0.00 -0.11 1.72 2.47 -1.42 -2.35 114.38 115.67 3b9x h ARG 135 Ca 0.33 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.84 3b9x h ARG 135 Cb 0.06 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.38 3b9x h ARG 135 CO -0.13 0.70 -0.80 1.98 0.56 0.00 0.00 179.97 182.28 3b9x h MET 136 N 0.00 0.63 -2.61 0.04 4.05 -0.66 -3.39 114.93 112.99 3b9x h MET 136 Ca -0.09 -0.54 -0.59 0.00 -0.28 0.00 0.00 59.70 58.20 3b9x h MET 136 Cb 1.73 0.12 -0.39 0.00 -0.80 0.00 0.00 31.60 32.26 3b9x h MET 136 CO 0.10 1.16 -0.86 -1.14 0.23 0.00 0.00 176.91 176.40 3b9x s GLN 137 N -3.64 0.83 0.50 0.39 2.00 -0.25 -4.99 119.66 114.51 3b9x s GLN 137 Ca -0.08 -1.72 0.32 0.00 -2.00 0.00 0.00 55.36 51.88 3b9x s GLN 137 Cb 0.09 -1.58 1.75 0.00 0.80 0.00 0.00 33.01 34.07 3b9x s GLN 137 CO 0.88 -1.25 1.98 -1.35 -0.50 0.00 0.00 175.29 175.05 3b9x h PRO 138 N 6.55 0.00 0.00 1.67 0.11 -1.63 -2.82 132.00 135.88 3b9x h PRO 138 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3b9x h PRO 138 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 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 -1.91 1.84 0.24 -0.75 0.00 -1.26 -2.51 120.51 116.16 3b9x n ALA 139 Ca -0.02 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.53 3b9x n ALA 139 Cb 0.08 -1.35 0.58 0.00 0.00 0.00 0.00 19.45 18.76 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 0.50 0.05 0.00 3.07 -1.84 -3.37 117.51 115.92 3b9x h ILE 140 Ca 0.00 -0.86 0.03 0.00 1.55 0.00 0.00 64.86 65.58 3b9x h ILE 140 Cb 0.39 1.59 -0.05 0.00 -0.27 0.00 0.00 36.82 38.48 3b9x h ILE 140 CO 0.00 0.17 -0.33 -0.07 -1.05 0.00 0.00 178.15 176.87 3b9x h LEU 141 N 0.00 -0.98 -1.26 0.16 3.38 -1.73 0.59 115.31 115.48 3b9x h LEU 141 Ca -0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3b9x h LEU 141 Cb 0.58 0.38 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3b9x h LEU 141 CO 0.02 -0.40 0.00 1.55 0.09 0.00 0.00 178.44 179.70 3b9x h PRO 142 N -0.51 0.00 0.00 1.13 0.13 -1.83 -2.71 132.00 128.21 3b9x h PRO 142 Ca 0.05 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.17 3b9x h PRO 142 Cb 0.58 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 3b9x h PRO 142 CO -0.24 0.00 -0.03 0.87 -0.23 0.00 0.00 178.00 178.37 3b9x h LYS 143 N 0.00 0.00 -5.82 0.86 1.79 -1.09 -3.44 116.57 108.87 3b9x h LYS 143 Ca 0.00 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 3b9x h LYS 143 Cb 0.32 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 30.88 3b9x h LYS 143 CO 0.00 0.03 0.47 0.42 -1.08 0.00 0.00 179.45 179.29 3b9x s ILE 144 N -3.55 4.79 0.11 1.86 1.01 -0.93 -4.06 121.20 120.43 3b9x s ILE 144 Ca 0.02 1.40 -0.18 0.00 0.00 0.00 0.00 60.65 61.90 3b9x s ILE 144 Cb 0.08 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 3b9x s ILE 144 CO 0.59 -0.19 1.60 -0.09 0.00 0.00 0.00 174.94 176.85 3b9x h ARG 145 N 7.92 0.48 -2.32 2.79 2.43 -1.45 -3.45 114.38 120.78 3b9x h ARG 145 Ca -0.23 -0.11 0.02 0.00 -0.81 0.00 0.00 59.98 58.84 3b9x h ARG 145 Cb 1.09 -0.06 -0.16 0.00 -0.42 0.00 0.00 29.97 30.41 3b9x h ARG 145 CO 0.89 0.55 0.34 -2.00 -1.51 0.00 0.00 179.97 178.24 3b9x s GLU 146 N -5.30 0.99 -0.20 0.20 2.12 -1.26 -4.60 118.70 110.64 3b9x s GLU 146 Ca -0.13 -0.15 -0.02 0.00 0.36 0.00 0.00 54.97 55.03 3b9x s GLU 146 Cb 0.08 0.46 0.00 0.00 0.26 0.00 0.00 34.13 34.94 3b9x s GLU 146 CO 0.74 -0.39 -0.11 0.42 -0.54 0.00 0.00 175.26 175.39 3b9x s ILE 147 N -2.53 2.84 -0.40 -3.70 1.01 0.52 -1.71 121.20 117.22 3b9x s ILE 147 Ca -0.01 -0.68 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 3b9x s ILE 147 Cb -0.01 -2.26 0.08 0.00 0.01 0.00 0.00 42.46 40.29 3b9x s ILE 147 CO -0.04 0.47 0.22 -0.69 0.00 0.00 0.00 174.94 174.90 3b9x s VAL 148 N 1.36 3.90 -0.00 2.92 1.01 -0.50 0.31 120.40 129.39 3b9x s VAL 148 Ca 0.05 -1.54 0.04 0.00 0.00 0.00 0.00 61.98 60.53 3b9x s VAL 148 Cb -0.14 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3b9x s VAL 148 CO -0.07 -0.51 -0.12 -1.48 0.00 0.00 0.00 175.10 172.93 3b9x s LEU 149 N 1.35 2.90 -0.35 3.92 0.05 -0.13 -3.52 118.68 122.91 3b9x s LEU 149 Ca 0.03 -0.23 -0.21 0.00 0.05 0.00 0.00 54.13 53.77 3b9x s LEU 149 Cb -0.23 -1.66 0.00 0.00 -2.05 0.00 0.00 46.19 42.26 3b9x s LEU 149 CO 0.00 0.30 0.67 -0.32 -0.55 0.00 0.00 176.35 176.44 3b9x s MET 150 N -1.22 3.74 0.00 1.48 -2.45 -0.23 -0.91 119.30 119.72 3b9x s MET 150 Ca 0.15 0.16 0.00 0.00 -1.25 0.00 0.00 55.69 54.75 3b9x s MET 150 Cb -0.11 -3.79 0.00 0.00 1.25 0.00 0.00 34.83 32.18 3b9x s MET 150 CO 0.05 -0.72 0.00 0.41 1.05 0.00 0.00 175.02 175.81 3b9x n GLY 151 N 4.58 1.37 3.15 2.11 0.00 -0.94 -4.57 105.19 110.90 3b9x n GLY 151 Ca -0.00 -0.81 0.08 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.38 -1.77 3.62 -0.02 0.00 -1.26 -3.62 105.19 101.75 3b9x n GLY 152 Ca 0.00 -1.23 -0.01 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.76 -2.39 -0.32 4.61 0.00 -1.26 -1.38 121.76 119.25 3b9x s ALA 153 Ca 0.00 2.15 0.20 0.00 0.00 0.00 0.00 51.96 54.31 3b9x s ALA 153 Cb 0.00 -1.79 0.22 0.00 0.00 0.00 0.00 23.12 21.54 3b9x s ALA 153 CO 0.00 -0.40 1.52 0.10 0.00 0.00 0.00 175.76 176.98 3b9x h TYR 154 N 6.05 0.00 0.00 0.00 -0.00 -1.96 -3.41 116.97 117.64 3b9x h TYR 154 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.46 3b9x h TYR 154 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.91 3b9x h TYR 154 CO 0.14 0.21 0.00 0.41 -0.00 0.00 0.00 178.16 178.91 3b9x n GLY 155 N 1.15 0.44 3.77 0.10 0.00 -1.26 -4.82 105.19 104.57 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 2.98 4.56 0.00 2.61 2.01 -1.26 -4.90 115.64 121.64 3b9x s THR 156 Ca 0.00 1.56 0.00 0.00 0.31 0.00 0.00 61.69 63.56 3b9x s THR 156 Cb 0.00 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.44 3b9x s THR 156 CO 0.00 0.49 0.00 0.61 -0.69 0.00 0.00 174.62 175.03 3b9x n GLY 157 N 1.86 -0.22 0.96 4.40 0.00 -0.72 -4.85 105.19 106.63 3b9x n GLY 157 Ca -0.06 -1.78 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.20 0.95 -0.16 1.61 0.23 -0.86 -4.75 115.26 110.09 3b9x n ASN 158 Ca 0.00 0.13 0.01 0.00 -0.53 0.00 0.00 54.58 54.18 3b9x n ASN 158 Cb 0.00 -0.30 0.27 0.00 -2.08 0.00 0.00 39.78 37.67 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 -0.08 0.85 -3.88 -2.53 3.57 -1.85 -3.42 116.94 109.60 3b9x h PHE 159 Ca -0.01 0.01 -0.29 0.00 3.53 0.00 0.00 57.97 61.21 3b9x h PHE 159 Cb 0.30 -0.28 -0.15 0.00 2.79 0.00 0.00 35.95 38.61 3b9x h PHE 159 CO -0.03 0.57 -0.65 0.95 -2.23 0.00 0.00 178.31 176.92 3b9x s THR 160 N -5.69 0.55 0.60 4.41 -4.23 -1.02 -5.00 115.64 105.26 3b9x s THR 160 Ca -0.10 -1.98 0.29 0.00 -1.18 0.00 0.00 61.69 58.72 3b9x s THR 160 Cb 0.17 -2.24 0.36 0.00 1.34 0.00 0.00 72.50 72.14 3b9x s THR 160 CO 0.78 -0.35 2.02 -0.65 -0.54 0.00 0.00 174.62 175.87 3b9x h PRO 161 N 2.64 0.00 0.00 3.99 0.11 -1.85 -2.82 132.00 134.07 3b9x h PRO 161 Ca -0.37 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.52 3b9x h PRO 161 Cb 1.21 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3b9x h PRO 161 CO 0.61 0.00 -2.19 0.43 -0.21 0.00 0.00 178.00 176.64 3b9x n SER 162 N -3.66 0.04 -4.06 -2.05 7.64 -1.26 -1.75 113.62 108.52 3b9x n SER 162 Ca 0.03 0.02 -0.22 0.00 1.01 0.00 0.00 58.87 59.71 3b9x n SER 162 Cb 0.44 1.34 -0.15 0.00 -1.01 0.00 0.00 64.21 64.82 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 -2.90 1.08 0.32 -0.43 0.00 -1.07 -4.34 121.76 114.42 3b9x s ALA 163 Ca -0.09 -0.49 -0.18 0.00 0.00 0.00 0.00 51.96 51.20 3b9x s ALA 163 Cb 0.09 -0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.78 3b9x s ALA 163 CO 0.86 0.21 0.80 -2.00 0.00 0.00 0.00 175.76 175.63 3b9x s GLU 164 N -0.01 4.16 0.17 0.00 -6.30 -1.26 -2.02 118.70 113.43 3b9x s GLU 164 Ca -0.00 0.87 -0.19 0.00 -2.50 0.00 0.00 54.97 53.15 3b9x s GLU 164 Cb -0.08 -2.52 0.09 0.00 0.00 0.00 0.00 34.13 31.62 3b9x s GLU 164 CO 0.00 0.19 1.65 0.35 0.02 0.00 0.00 175.26 177.47 3b9x h PHE 165 N 2.55 -0.39 -0.96 5.30 3.57 -1.95 0.06 116.94 125.12 3b9x h PHE 165 Ca -0.48 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.16 3b9x h PHE 165 Cb 1.18 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 40.08 3b9x h PHE 165 CO 0.62 -0.24 0.62 -0.91 -2.23 0.00 0.00 178.31 176.17 3b9x h ASN 166 N -0.09 0.90 0.05 0.41 2.35 -1.90 0.14 115.58 117.43 3b9x h ASN 166 Ca 0.19 0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.88 3b9x h ASN 166 Cb 0.37 -0.16 0.01 0.00 0.05 0.00 0.00 38.32 38.60 3b9x h ASN 166 CO -0.43 0.52 -0.38 0.40 -1.65 0.00 0.00 177.43 175.89 3b9x h ILE 167 N 0.99 1.61 -0.80 2.81 1.08 -1.78 -3.30 117.51 118.11 3b9x h ILE 167 Ca 0.45 -2.28 0.13 0.00 -0.39 0.00 0.00 64.86 62.77 3b9x h ILE 167 Cb 0.40 3.11 -0.06 0.00 -3.07 0.00 0.00 36.82 37.20 3b9x h ILE 167 CO -0.21 0.62 0.53 0.15 -0.69 0.00 0.00 178.15 178.55 3b9x h PHE 168 N -0.60 0.68 0.00 1.37 3.57 -0.60 -0.85 116.94 120.51 3b9x h PHE 168 Ca -0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.46 3b9x h PHE 168 Cb 1.24 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 3b9x h PHE 168 CO 0.22 0.28 -0.01 0.00 -2.23 0.00 0.00 178.31 176.56 3b9x h ALA 169 N 1.62 1.01 -0.79 2.41 0.00 -0.83 -3.37 119.26 119.30 3b9x h ALA 169 Ca 0.39 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.11 3b9x h ALA 169 Cb 0.67 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 18.30 3b9x h ALA 169 CO -0.15 0.01 -0.51 -3.47 0.00 0.00 0.00 179.25 175.14 3b9x n ASP 170 N -3.11 -3.24 -0.12 0.00 -0.08 -0.43 -4.74 116.55 104.82 3b9x n ASP 170 Ca -0.00 -3.00 0.00 0.00 -1.51 0.00 0.00 54.79 50.28 3b9x n ASP 170 Cb 0.27 1.71 0.27 0.00 2.34 0.00 0.00 41.12 45.71 3b9x n ASP 170 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3b9x h PRO 171 N 4.76 0.80 -0.20 -0.67 0.11 -1.46 -1.23 132.00 134.12 3b9x h PRO 171 Ca 0.01 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 65.95 3b9x h PRO 171 Cb 1.08 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 3b9x h PRO 171 CO 0.10 0.61 -0.18 0.93 -0.21 0.00 0.00 178.00 179.25 3b9x h GLU 172 N 0.81 0.47 -0.86 1.05 3.07 -1.95 0.28 114.58 117.44 3b9x h GLU 172 Ca 0.20 -0.25 0.10 0.00 -0.50 0.00 0.00 59.36 58.92 3b9x h GLU 172 Cb 0.06 0.01 -0.08 0.00 -0.84 0.00 0.00 28.75 27.90 3b9x h GLU 172 CO -0.03 0.82 0.51 0.00 -1.40 0.00 0.00 179.01 178.90 3b9x h ALA 173 N 0.65 1.25 -0.90 3.43 0.00 -1.86 -1.99 119.26 119.83 3b9x h ALA 173 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3b9x h ALA 173 Cb 0.72 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3b9x h ALA 173 CO 0.05 0.13 0.51 0.00 0.00 0.00 0.00 179.25 179.93 3b9x h ALA 174 N 1.47 1.19 -0.28 0.00 0.00 -0.60 -2.58 119.26 118.46 3b9x h ALA 174 Ca 0.42 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.14 3b9x h ALA 174 Cb 0.39 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3b9x h ALA 174 CO -0.25 0.66 -0.09 -0.09 0.00 0.00 0.00 179.25 179.48 3b9x h ARG 175 N 1.26 0.45 -0.15 0.00 9.65 -0.26 -1.44 114.38 123.89 3b9x h ARG 175 Ca 0.32 -0.11 -0.04 0.00 -1.10 0.00 0.00 59.98 59.05 3b9x h ARG 175 Cb 0.01 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 28.53 3b9x h ARG 175 CO -0.05 0.55 -0.06 0.28 2.80 0.00 0.00 179.97 183.49 3b9x h VAL 176 N 0.42 1.31 -0.74 0.20 2.07 -1.10 -2.51 116.25 115.89 3b9x h VAL 176 Ca 0.08 -1.07 0.03 0.00 0.82 0.00 0.00 66.70 66.56 3b9x h VAL 176 Cb 0.43 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 3b9x h VAL 176 CO 0.02 0.31 0.47 0.58 0.02 0.00 0.00 177.57 178.98 3b9x h VAL 177 N -0.02 1.10 0.00 2.57 2.07 -1.10 -2.07 116.25 118.79 3b9x h VAL 177 Ca 0.03 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3b9x h VAL 177 Cb 0.52 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3b9x h VAL 177 CO 0.02 0.17 0.00 0.49 0.02 0.00 0.00 177.57 178.27 3b9x n PHE 178 N -4.64 0.96 0.05 1.57 3.72 -0.57 -2.50 117.46 116.04 3b9x n PHE 178 Ca 0.08 0.29 0.08 0.00 -0.05 0.00 0.00 57.45 57.86 3b9x n PHE 178 Cb 0.09 -0.98 0.17 0.00 -0.94 0.00 0.00 39.48 37.83 3b9x n PHE 178 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3b9x n THR 179 N -2.30 0.67 0.26 4.37 -2.24 -0.95 -4.62 114.28 109.48 3b9x n THR 179 Ca 0.05 -0.84 0.15 0.00 -2.27 0.00 0.00 64.05 61.15 3b9x n THR 179 Cb 0.40 0.78 0.62 0.00 -2.10 0.00 0.00 70.33 70.03 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 3.08 0.00 0.00 3.42 4.64 -1.07 -3.47 113.55 120.14 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 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3b9x h SER 180 CO 0.00 0.06 0.00 0.61 -0.87 0.00 0.00 176.83 176.63 3b9x n GLY 181 N 0.07 0.83 3.77 -0.77 0.00 -1.26 -5.02 105.19 102.81 3b9x n GLY 181 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.48 3.79 0.12 1.61 1.01 -1.26 -4.99 120.40 117.20 3b9x s VAL 182 Ca 0.00 1.52 -0.33 0.00 0.00 0.00 0.00 61.98 63.17 3b9x s VAL 182 Cb 0.00 -3.86 -0.12 0.00 0.00 0.00 0.00 36.38 32.40 3b9x s VAL 182 CO 0.00 0.15 1.72 -2.65 0.00 0.00 0.00 175.10 174.33 3b9x n PRO 183 N 0.47 2.46 -5.23 2.72 -0.02 -1.26 -4.88 135.00 129.27 3b9x n PRO 183 Ca 0.02 0.89 -0.32 0.00 -2.02 0.00 0.00 63.50 62.08 3b9x n PRO 183 Cb 0.48 -2.72 -0.16 0.00 -0.02 0.00 0.00 33.50 31.08 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 1.94 2.15 -0.08 2.45 1.43 -1.25 -0.36 118.68 124.95 3b9x s LEU 184 Ca 0.81 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 53.49 3b9x s LEU 184 Cb -0.59 -1.39 -0.00 0.00 0.03 0.00 0.00 46.19 44.24 3b9x s LEU 184 CO 0.39 0.27 -0.23 -0.69 0.23 0.00 0.00 176.35 176.32 3b9x s VAL 185 N -0.31 1.95 -0.23 -1.59 1.01 0.15 -1.31 120.40 120.07 3b9x s VAL 185 Ca 0.01 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 3b9x s VAL 185 Cb -0.13 -1.68 0.03 0.00 0.00 0.00 0.00 36.38 34.60 3b9x s VAL 185 CO 0.02 0.54 -0.09 -0.32 0.00 0.00 0.00 175.10 175.25 3b9x s MET 186 N 0.23 2.85 -0.77 2.72 0.00 0.11 -0.95 119.30 123.49 3b9x s MET 186 Ca -0.14 -0.95 -0.16 0.00 0.00 0.00 0.00 55.69 54.43 3b9x s MET 186 Cb -0.17 -2.90 0.17 0.00 0.00 0.00 0.00 34.83 31.94 3b9x s MET 186 CO 0.07 -0.36 0.78 -1.64 0.00 0.00 0.00 175.02 173.87 3b9x s MET 187 N 1.31 3.43 0.87 4.11 -1.94 -0.09 -0.42 119.30 126.58 3b9x s MET 187 Ca 0.01 -2.06 -0.11 0.00 -1.71 0.00 0.00 55.69 51.82 3b9x s MET 187 Cb -0.16 -4.47 0.17 0.00 2.01 0.00 0.00 34.83 32.37 3b9x s MET 187 CO -0.06 -1.42 1.21 0.20 -0.01 0.00 0.00 175.02 174.94 3b9x s GLY 188 N 2.85 1.76 0.53 -0.03 0.00 -1.24 -2.20 107.32 108.99 3b9x s GLY 188 Ca 0.17 -1.29 0.19 0.00 0.00 0.00 0.00 44.72 43.80 3b9x s GLY 188 CO -0.05 -0.61 2.13 1.41 0.00 0.00 0.00 173.10 175.98 3b9x h LEU 189 N -1.26 0.00 -1.42 0.66 3.38 -1.47 -0.65 115.31 114.55 3b9x h LEU 189 Ca -0.42 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.58 3b9x h LEU 189 Cb 1.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.97 3b9x h LEU 189 CO 0.42 0.00 0.43 0.44 0.09 0.00 0.00 178.44 179.81 3b9x h ASP 190 N 0.00 0.65 0.00 -0.43 3.32 -1.88 -0.31 116.42 117.77 3b9x h ASP 190 Ca 0.05 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.99 3b9x h ASP 190 Cb 0.19 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3b9x h ASP 190 CO -0.00 0.44 -0.74 0.25 -1.72 0.00 0.00 179.24 177.47 3b9x h LEU 191 N 0.75 0.00 -1.62 1.55 6.46 -1.66 -3.41 115.31 117.39 3b9x h LEU 191 Ca 0.26 -0.32 -0.04 0.00 -0.12 0.00 0.00 57.88 57.65 3b9x h LEU 191 Cb 0.10 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 3b9x h LEU 191 CO -0.07 1.08 -0.20 0.71 -0.62 0.00 0.00 178.44 179.34 3b9x h THR 192 N -1.00 0.79 0.00 1.05 1.35 -1.07 -1.59 112.91 112.44 3b9x h THR 192 Ca -0.16 -0.80 -0.01 0.00 -0.55 0.00 0.00 66.41 64.89 3b9x h THR 192 Cb 0.86 1.49 -0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3b9x h THR 192 CO -0.09 0.20 -0.03 0.78 -0.25 0.00 0.00 175.52 176.13 3b9x h ASN 193 N 0.00 0.00 0.68 5.36 2.35 -1.29 -1.85 115.58 120.84 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 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3b9x h ASN 193 CO 0.03 0.03 0.00 1.56 -1.65 0.00 0.00 177.43 177.39 3b9x h GLN 194 N 0.00 0.00 -1.48 0.81 4.20 -1.51 -3.32 115.11 113.81 3b9x h GLN 194 Ca -0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 3b9x h GLN 194 Cb 0.25 0.00 -0.25 0.00 0.30 0.00 0.00 27.48 27.78 3b9x h GLN 194 CO 0.00 0.00 0.84 0.25 -0.67 0.00 0.00 178.83 179.25 3b9x n THR 195 N -2.34 3.49 -1.89 -0.54 -2.24 -0.69 -4.96 114.28 105.11 3b9x n THR 195 Ca 0.02 -3.23 -0.42 0.00 -2.27 0.00 0.00 64.05 58.15 3b9x n THR 195 Cb 0.22 -1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 67.17 3b9x n THR 195 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3b9x s VAL 196 N -4.36 2.43 -0.77 2.28 -7.23 -1.25 -2.45 120.40 109.05 3b9x s VAL 196 Ca 0.56 0.33 -0.13 0.00 -1.81 0.00 0.00 61.98 60.93 3b9x s VAL 196 Cb 0.44 -3.21 0.20 0.00 0.56 0.00 0.00 36.38 34.37 3b9x s VAL 196 CO -0.16 0.04 0.70 0.00 -0.31 0.00 0.00 175.10 175.37 3b9x s THR 198 N 0.30 4.72 0.45 0.00 -4.23 -1.26 -4.21 115.64 111.41 3b9x s THR 198 Ca 0.16 0.76 0.27 0.00 -1.18 0.00 0.00 61.69 61.70 3b9x s THR 198 Cb -0.14 -3.86 0.47 0.00 1.34 0.00 0.00 72.50 70.31 3b9x s THR 198 CO -0.07 -1.09 1.73 -0.65 -0.54 0.00 0.00 174.62 174.00 3b9x h PRO 199 N -0.24 0.20 0.00 3.99 0.11 -1.97 0.33 132.00 134.42 3b9x h PRO 199 Ca -0.44 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3b9x h PRO 199 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3b9x h PRO 199 CO 0.62 0.13 -0.24 -0.44 -0.21 0.00 0.00 178.00 177.87 3b9x h ASP 200 N 0.21 0.00 0.23 -2.05 3.32 -1.99 -1.53 116.42 114.60 3b9x h ASP 200 Ca 0.67 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 57.39 3b9x h ASP 200 Cb 2.07 0.00 0.04 0.00 0.22 0.00 0.00 39.33 41.66 3b9x h ASP 200 CO -0.26 0.24 -1.41 0.58 -1.72 0.00 0.00 179.24 176.67 3b9x h VAL 201 N 0.00 1.29 -0.24 -1.35 2.07 -0.71 -3.04 116.25 114.26 3b9x h VAL 201 Ca -0.00 -2.63 -0.01 0.00 0.82 0.00 0.00 66.70 64.88 3b9x h VAL 201 Cb 0.62 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 3b9x h VAL 201 CO 0.03 0.79 0.13 0.40 0.02 0.00 0.00 177.57 178.94 3b9x h ILE 202 N 0.19 1.12 -0.26 4.57 2.04 -1.39 -2.80 117.51 120.98 3b9x h ILE 202 Ca -0.23 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3b9x h ILE 202 Cb 2.09 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3b9x h ILE 202 CO 0.27 0.12 0.01 0.00 0.00 0.00 0.00 178.15 178.55 3b9x h ALA 203 N 1.01 1.55 -0.80 1.87 0.00 -1.38 -0.51 119.26 121.00 3b9x h ALA 203 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3b9x h ALA 203 Cb 0.07 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3b9x h ALA 203 CO -0.01 0.33 0.44 -0.09 0.00 0.00 0.00 179.25 179.92 3b9x h ARG 204 N 0.37 1.11 0.00 0.00 2.43 -1.38 -2.14 114.38 114.77 3b9x h ARG 204 Ca 0.09 -0.13 -0.25 0.00 -0.81 0.00 0.00 59.98 58.88 3b9x h ARG 204 Cb 0.23 -0.22 0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3b9x h ARG 204 CO 0.00 0.82 -1.00 0.52 -1.51 0.00 0.00 179.97 178.80 3b9x h MET 205 N 1.10 0.56 -0.89 0.20 2.86 -1.01 -2.65 114.93 115.10 3b9x h MET 205 Ca 0.28 -0.60 0.16 0.00 -2.06 0.00 0.00 59.70 57.48 3b9x h MET 205 Cb 0.03 0.17 -0.10 0.00 0.06 0.00 0.00 31.60 31.76 3b9x h MET 205 CO -0.05 1.22 0.48 0.93 1.06 0.00 0.00 176.91 180.55 3b9x h GLU 206 N 0.31 0.62 -0.58 1.72 5.08 -1.08 -0.95 114.58 119.70 3b9x h GLU 206 Ca -0.11 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 3b9x h GLU 206 Cb 1.64 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.73 3b9x h GLU 206 CO 0.19 0.41 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.49 3b9x h ARG 207 N 0.64 1.03 -0.18 2.33 2.43 -1.24 -2.07 114.38 117.32 3b9x h ARG 207 Ca 0.50 -0.34 -0.06 0.00 -0.81 0.00 0.00 59.98 59.27 3b9x h ARG 207 Cb 0.75 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3b9x h ARG 207 CO -0.38 1.03 -0.17 0.00 -1.51 0.00 0.00 179.97 178.93 3b9x h ALA 208 N 1.02 1.37 -0.61 2.80 0.00 -1.06 -3.48 119.26 119.29 3b9x h ALA 208 Ca 0.16 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3b9x h ALA 208 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3b9x h ALA 208 CO 0.03 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.12 3b9x n GLY 209 N -0.70 0.21 1.26 0.00 0.00 -0.41 -4.93 105.19 100.62 3b9x n GLY 209 Ca -0.00 -0.92 0.06 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.08 0.27 -0.02 0.00 -1.26 -2.61 105.19 99.49 3b9x n GLY 210 Ca 0.00 -1.38 -0.01 0.00 0.00 0.00 0.00 46.02 44.63 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 0.57 -0.04 1.61 0.11 -1.90 -2.13 132.00 130.22 3b9x h PRO 211 Ca 0.01 -0.13 -0.26 0.00 0.11 0.00 0.00 66.00 65.74 3b9x h PRO 211 Cb 0.43 -0.08 0.02 0.00 0.11 0.00 0.00 31.00 31.48 3b9x h PRO 211 CO 0.00 0.60 -0.97 0.00 -0.21 0.00 0.00 178.00 177.42 3b9x h ALA 212 N 1.46 0.18 -0.67 -0.75 0.00 -1.80 -1.96 119.26 115.72 3b9x h ALA 212 Ca 0.12 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3b9x h ALA 212 Cb 0.35 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3b9x h ALA 212 CO 0.01 0.68 0.38 0.78 0.00 0.00 0.00 179.25 181.10 3b9x h GLY 213 N 0.44 0.97 0.86 0.00 0.00 -1.45 -0.80 103.07 103.08 3b9x h GLY 213 Ca -0.11 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 3b9x h GLY 213 CO 0.19 0.40 -0.41 0.83 0.00 0.00 0.00 176.54 177.55 3b9x h GLU 214 N 0.92 0.52 -0.37 4.80 5.08 -1.36 -2.56 114.58 121.62 3b9x h GLU 214 Ca 0.24 -0.38 0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3b9x h GLU 214 Cb -0.00 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3b9x h GLU 214 CO -0.04 1.00 0.24 1.25 -1.00 0.00 0.00 179.01 180.46 3b9x h LEU 215 N 0.14 0.41 -0.79 1.33 5.85 -1.30 -0.51 115.31 120.44 3b9x h LEU 215 Ca -0.01 -0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.80 3b9x h LEU 215 Cb 1.03 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.88 3b9x h LEU 215 CO 0.09 0.30 0.42 0.15 -0.34 0.00 0.00 178.44 179.06 3b9x h PHE 216 N 0.49 0.76 0.03 1.25 3.57 -1.15 -0.68 116.94 121.21 3b9x h PHE 216 Ca 0.14 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3b9x h PHE 216 Cb -0.05 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.47 3b9x h PHE 216 CO -0.05 0.28 -0.01 1.03 -2.23 0.00 0.00 178.31 177.32 3b9x h SER 217 N 0.69 -0.03 -0.63 0.41 0.87 -1.01 -1.48 113.55 112.37 3b9x h SER 217 Ca 0.39 -0.22 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3b9x h SER 217 Cb 0.41 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 3b9x h SER 217 CO -0.28 0.21 0.39 0.44 -0.53 0.00 0.00 176.83 177.06 3b9x h ASP 218 N -0.27 0.76 0.11 6.23 3.32 -0.59 -2.15 116.42 123.83 3b9x h ASP 218 Ca -0.00 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 3b9x h ASP 218 Cb 0.25 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3b9x h ASP 218 CO 0.01 0.58 -0.05 0.40 -1.72 0.00 0.00 179.24 178.45 3b9x h ILE 219 N 0.88 0.97 0.00 0.35 2.04 -1.14 -3.31 117.51 117.30 3b9x h ILE 219 Ca 0.23 -1.32 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 3b9x h ILE 219 Cb -0.04 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 3b9x h ILE 219 CO -0.04 0.27 -0.19 0.24 0.00 0.00 0.00 178.15 178.43 3b9x h MET 220 N -0.87 0.00 -0.45 2.37 2.86 -1.26 -2.54 114.93 115.04 3b9x h MET 220 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3b9x h MET 220 Cb 0.56 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 3b9x h MET 220 CO 0.02 0.19 0.29 -0.91 1.06 0.00 0.00 176.91 177.56 3b9x h ASN 221 N 0.00 0.52 0.55 1.22 4.21 -1.51 -2.57 115.58 118.00 3b9x h ASN 221 Ca -0.00 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.47 3b9x h ASN 221 Cb 0.78 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.83 3b9x h ASN 221 CO 0.02 0.38 -0.47 0.15 -1.29 0.00 0.00 177.43 176.22 3b9x h PHE 222 N 0.60 -1.29 0.00 1.19 3.57 -1.54 -3.10 116.94 116.37 3b9x h PHE 222 Ca 0.16 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3b9x h PHE 222 Cb -0.06 0.49 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3b9x h PHE 222 CO -0.04 -0.66 -0.03 1.79 -2.23 0.00 0.00 178.31 177.14 3b9x h THR 223 N -1.01 0.48 -0.84 4.41 1.35 -1.60 -2.29 112.91 113.41 3b9x h THR 223 Ca -0.07 -0.15 0.19 0.00 -0.55 0.00 0.00 66.41 65.83 3b9x h THR 223 Cb 0.86 1.10 -0.15 0.00 -1.73 0.00 0.00 68.15 68.23 3b9x h THR 223 CO -0.02 0.03 -0.08 0.25 -0.25 0.00 0.00 175.52 175.45 3b9x h LEU 224 N 0.00 -0.56 -0.01 3.87 5.85 -1.37 0.41 115.31 123.50 3b9x h LEU 224 Ca -0.00 0.24 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 3b9x h LEU 224 Cb 0.10 0.45 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3b9x h LEU 224 CO 0.00 -0.26 -0.17 0.11 -0.34 0.00 0.00 178.44 177.79 3b9x h LYS 225 N 0.04 0.12 0.00 1.25 6.56 -1.55 -3.28 116.57 119.71 3b9x h LYS 225 Ca 0.45 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.91 3b9x h LYS 225 Cb 0.78 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.47 3b9x h LYS 225 CO -0.80 0.86 0.00 1.79 -2.06 0.00 0.00 179.45 179.24 3b9x h THR 226 N -0.57 0.00 -0.24 -0.16 1.35 -1.60 -2.54 112.91 109.15 3b9x h THR 226 Ca -0.02 -0.90 -0.10 0.00 -0.55 0.00 0.00 66.41 64.84 3b9x h THR 226 Cb 0.91 1.90 -0.00 0.00 -1.73 0.00 0.00 68.15 69.22 3b9x h THR 226 CO 0.03 0.00 -0.24 1.56 -0.25 0.00 0.00 175.52 176.63 3b9x h GLN 227 N 0.00 0.59 0.10 4.72 1.08 -1.07 -3.18 115.11 117.35 3b9x h GLN 227 Ca 0.00 -0.31 -0.00 0.00 -1.45 0.00 0.00 58.65 56.88 3b9x h GLN 227 Cb 0.90 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.34 3b9x h GLN 227 CO 0.00 0.90 -0.05 0.35 -0.95 0.00 0.00 178.83 179.09 3b9x h PHE 228 N 0.30 -0.13 -0.63 2.96 3.57 -1.56 -1.41 116.94 120.04 3b9x h PHE 228 Ca 0.04 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.58 3b9x h PHE 228 Cb 0.79 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 3b9x h PHE 228 CO 0.08 0.08 0.42 1.49 -2.23 0.00 0.00 178.31 178.15 3b9x h GLU 229 N -0.32 0.68 0.12 1.11 4.81 -1.62 -0.72 114.58 118.65 3b9x h GLU 229 Ca -0.01 -0.04 -0.32 0.00 -0.13 0.00 0.00 59.36 58.86 3b9x h GLU 229 Cb 0.26 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 3b9x h GLU 229 CO 0.02 0.45 -1.67 -0.91 -0.73 0.00 0.00 179.01 176.17 3b9x h ASN 230 N 0.70 0.41 0.00 1.04 2.35 -1.55 -3.42 115.58 115.11 3b9x h ASN 230 Ca 0.26 -0.88 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 3b9x h ASN 230 Cb 0.15 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3b9x h ASN 230 CO -0.08 1.73 0.00 -1.22 -1.65 0.00 0.00 177.43 176.21 3b9x n TYR 231 N -3.75 0.00 -1.34 1.19 0.53 -0.54 -5.02 117.16 108.23 3b9x n TYR 231 Ca -0.28 -0.09 -0.12 0.00 -1.02 0.00 0.00 57.90 56.39 3b9x n TYR 231 Cb 0.97 -0.01 -0.05 0.00 -1.03 0.00 0.00 39.34 39.22 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 -0.09 1.23 3.80 2.72 0.00 -0.28 -4.99 105.19 107.58 3b9x n GLY 232 Ca 0.00 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.70 4.00 0.00 0.99 1.43 -1.23 -4.90 118.68 116.27 3b9x s LEU 233 Ca 0.00 1.90 0.12 0.00 -1.03 0.00 0.00 54.13 55.12 3b9x s LEU 233 Cb 0.00 -4.39 0.58 0.00 0.03 0.00 0.00 46.19 42.41 3b9x s LEU 233 CO 0.00 -0.53 1.32 0.00 0.23 0.00 0.00 176.35 177.37 3b9x n ALA 234 N -0.48 1.67 0.00 4.21 0.00 -1.26 -3.54 120.51 121.11 3b9x n ALA 234 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3b9x n ALA 234 Cb 0.52 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3b9x n ALA 234 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3b9x n GLY 235 N -0.26 3.48 2.52 0.00 0.00 -1.26 -4.63 105.19 105.04 3b9x n GLY 235 Ca 0.05 -0.16 -0.46 0.00 0.00 0.00 0.00 46.02 45.45 3b9x n GLY 235 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b9x n GLY 236 N -0.78 -0.10 3.50 -0.02 0.00 -1.24 -2.85 105.19 103.69 3b9x n GLY 236 Ca 0.00 0.86 -0.31 0.00 0.00 0.00 0.00 46.02 46.56 3b9x n GLY 236 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3b9x n PRO 237 N 5.65 -0.88 -3.46 1.61 -0.02 -1.26 -2.22 135.00 134.42 3b9x n PRO 237 Ca 0.41 -0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.36 3b9x n PRO 237 Cb -0.03 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.31 3b9x n PRO 237 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3b9x n VAL 238 N -4.17 3.02 0.32 -1.45 0.24 -1.02 -4.82 118.33 110.45 3b9x n VAL 238 Ca 0.07 -5.29 -0.18 0.00 -2.04 0.00 0.00 64.34 56.90 3b9x n VAL 238 Cb 0.54 -2.18 -0.09 0.00 -1.47 0.00 0.00 33.84 30.64 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 5.04 -1.24 -0.18 6.34 3.86 -1.90 -3.23 115.15 123.85 3b9x h HIS 239 Ca 0.18 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.32 3b9x h HIS 239 Cb 0.70 0.47 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 3b9x h HIS 239 CO 0.77 -0.64 -0.23 -0.44 0.86 0.00 0.00 177.93 178.26 3b9x h ASP 240 N -0.99 0.31 -0.02 2.45 3.32 -1.93 -2.67 116.42 116.90 3b9x h ASP 240 Ca -0.06 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.90 3b9x h ASP 240 Cb 0.84 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 3b9x h ASP 240 CO -0.01 0.55 0.03 0.00 -1.72 0.00 0.00 179.24 178.09 3b9x h ALA 241 N 1.48 1.51 0.00 3.45 0.00 -1.73 -2.70 119.26 121.27 3b9x h ALA 241 Ca 0.05 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3b9x h ALA 241 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3b9x h ALA 241 CO 0.04 -0.04 -0.22 1.79 0.00 0.00 0.00 179.25 180.82 3b9x h THR 242 N 0.00 1.09 -0.51 0.00 1.35 -1.58 -1.07 112.91 112.19 3b9x h THR 242 Ca 0.01 -0.77 -0.09 0.00 -0.55 0.00 0.00 66.41 65.01 3b9x h THR 242 Cb 0.07 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.89 3b9x h THR 242 CO -0.00 0.22 -0.04 0.00 -0.25 0.00 0.00 175.52 175.45 3b9x h ILE 244 N 0.81 1.37 -0.79 0.00 1.08 -1.50 -2.87 117.51 115.61 3b9x h ILE 244 Ca 0.15 -1.32 0.19 0.00 -0.39 0.00 0.00 64.86 63.49 3b9x h ILE 244 Cb 0.54 2.01 -0.12 0.00 -3.07 0.00 0.00 36.82 36.17 3b9x h ILE 244 CO 0.03 0.38 0.17 1.23 -0.69 0.00 0.00 178.15 179.27 3b9x h GLY 245 N -0.16 1.12 2.00 5.37 0.00 -1.14 -0.79 103.07 109.48 3b9x h GLY 245 Ca 0.01 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3b9x h GLY 245 CO 0.03 -0.27 -0.20 -1.82 0.00 0.00 0.00 176.54 174.28 3b9x h TYR 246 N 0.23 0.00 0.15 5.60 3.20 -0.55 -1.91 116.97 123.69 3b9x h TYR 246 Ca 0.46 0.00 -0.34 0.00 3.14 0.00 0.00 58.73 61.99 3b9x h TYR 246 Cb 0.85 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.12 3b9x h TYR 246 CO -0.29 0.20 -1.77 -0.07 -1.64 0.00 0.00 178.16 174.59 3b9x h LEU 247 N 0.00 0.48 -0.75 2.82 3.38 -1.01 -2.86 115.31 117.37 3b9x h LEU 247 Ca -0.00 -0.80 0.01 0.00 0.09 0.00 0.00 57.88 57.18 3b9x h LEU 247 Cb 0.46 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 3b9x h LEU 247 CO 0.03 1.69 0.49 0.40 0.09 0.00 0.00 178.44 181.13 3b9x h ILE 248 N 0.08 1.17 -0.89 1.22 2.04 -1.06 -3.43 117.51 116.65 3b9x h ILE 248 Ca -0.34 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.21 3b9x h ILE 248 Cb 2.06 0.09 -0.20 0.00 -0.74 0.00 0.00 36.82 38.03 3b9x h ILE 248 CO 0.15 0.18 -0.35 0.21 0.00 0.00 0.00 178.15 178.34 3b9x s ASN 249 N -5.85 -1.43 0.33 1.72 2.47 -0.73 -5.03 114.94 106.41 3b9x s ASN 249 Ca -0.13 -0.09 0.24 0.00 0.42 0.00 0.00 52.86 53.30 3b9x s ASN 249 Cb 0.15 1.87 1.17 0.00 -1.45 0.00 0.00 41.25 42.99 3b9x s ASN 249 CO 0.78 -0.23 1.73 1.55 -3.72 0.00 0.00 177.10 177.21 3b9x h PRO 250 N 7.55 0.00 0.00 0.43 0.13 -1.72 -2.55 132.00 135.84 3b9x h PRO 250 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.10 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.62 3b9x n ASP 251 N -2.33 0.34 0.00 1.44 8.00 -1.26 -2.10 116.55 120.64 3b9x n ASP 251 Ca -0.00 0.55 0.14 0.00 0.71 0.00 0.00 54.79 56.19 3b9x n ASP 251 Cb 0.13 -0.63 0.62 0.00 -0.02 0.00 0.00 41.12 41.21 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 0.94 -1.46 3.00 0.44 0.00 -0.96 -4.76 105.19 102.39 3b9x n GLY 252 Ca 0.05 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.95 1.29 -0.11 -0.61 1.01 -0.89 -0.92 121.20 118.00 3b9x s ILE 253 Ca 0.15 -0.50 -0.24 0.00 0.00 0.00 0.00 60.65 60.06 3b9x s ILE 253 Cb 0.19 -1.21 -0.03 0.00 0.01 0.00 0.00 42.46 41.42 3b9x s ILE 253 CO 0.51 0.40 0.75 -0.75 0.00 0.00 0.00 174.94 175.85 3b9x s LYS 254 N 1.17 4.37 0.26 2.79 2.20 0.16 -4.96 119.74 125.73 3b9x s LYS 254 Ca -0.04 0.92 0.12 0.00 -0.36 0.00 0.00 55.97 56.61 3b9x s LYS 254 Cb -0.14 -3.51 -0.05 0.00 -1.51 0.00 0.00 37.83 32.62 3b9x s LYS 254 CO -0.03 -0.11 -0.19 0.95 -0.36 0.00 0.00 175.35 175.62 3b9x s THR 255 N 1.38 2.57 -0.05 3.43 -4.23 -1.26 -0.40 115.64 117.09 3b9x s THR 255 Ca 0.37 -2.29 0.01 0.00 -1.18 0.00 0.00 61.69 58.61 3b9x s THR 255 Cb -0.17 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.35 3b9x s THR 255 CO 0.16 -0.35 -0.06 -1.58 -0.54 0.00 0.00 174.62 172.25 3b9x s GLN 256 N -3.38 0.96 0.13 3.99 0.74 -0.54 -4.90 119.66 116.66 3b9x s GLN 256 Ca 0.29 -0.16 -0.30 0.00 0.05 0.00 0.00 55.36 55.23 3b9x s GLN 256 Cb -0.06 -0.92 -0.07 0.00 1.10 0.00 0.00 33.01 33.07 3b9x s GLN 256 CO 0.15 -0.05 1.25 -1.21 -0.55 0.00 0.00 175.29 174.87 3b9x s GLU 257 N 0.83 4.42 -0.00 1.67 2.02 -1.26 -0.70 118.70 125.68 3b9x s GLU 257 Ca -0.12 1.90 -0.07 0.00 0.02 0.00 0.00 54.97 56.70 3b9x s GLU 257 Cb -0.15 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.81 3b9x s GLU 257 CO 0.01 -0.24 0.14 -1.64 0.02 0.00 0.00 175.26 173.55 3b9x s MET 258 N 0.53 0.46 -0.21 1.61 -1.94 0.07 -4.93 119.30 114.88 3b9x s MET 258 Ca 0.58 -0.36 -0.29 0.00 -1.71 0.00 0.00 55.69 53.91 3b9x s MET 258 Cb -0.33 0.19 -0.02 0.00 2.01 0.00 0.00 34.83 36.68 3b9x s MET 258 CO 0.33 -0.11 1.47 -0.47 -0.01 0.00 0.00 175.02 176.23 3b9x s TYR 259 N -1.28 2.39 -0.12 -0.03 5.04 -1.26 -1.84 117.35 120.25 3b9x s TYR 259 Ca -0.14 0.68 -0.01 0.00 -2.44 0.00 0.00 57.07 55.16 3b9x s TYR 259 Cb -0.07 -3.86 -0.02 0.00 0.35 0.00 0.00 41.96 38.35 3b9x s TYR 259 CO 0.01 -2.48 -0.07 0.08 -1.34 0.00 0.00 175.55 171.75 3b9x s VAL 260 N 4.50 3.61 -0.05 3.14 1.01 -1.26 -1.51 120.40 129.84 3b9x s VAL 260 Ca 0.64 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 62.19 3b9x s VAL 260 Cb -0.23 -2.54 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 3b9x s VAL 260 CO 0.25 0.53 -0.19 -0.70 0.00 0.00 0.00 175.10 174.98 3b9x s GLU 261 N 0.04 2.04 -0.14 2.72 2.12 -0.24 -4.95 118.70 120.30 3b9x s GLU 261 Ca -0.02 -0.69 -0.20 0.00 0.36 0.00 0.00 54.97 54.43 3b9x s GLU 261 Cb -0.14 -1.74 -0.03 0.00 0.26 0.00 0.00 34.13 32.48 3b9x s GLU 261 CO 0.03 0.26 0.57 0.08 -0.54 0.00 0.00 175.26 175.67 3b9x s VAL 262 N 0.04 5.10 -0.38 3.70 1.01 -1.26 0.41 120.40 129.03 3b9x s VAL 262 Ca -0.05 1.12 -0.25 0.00 0.00 0.00 0.00 61.98 62.80 3b9x s VAL 262 Cb -0.13 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.37 3b9x s VAL 262 CO 0.03 0.23 0.89 -0.62 0.00 0.00 0.00 175.10 175.63 3b9x s ASP 263 N 0.88 6.63 0.00 3.32 -1.08 0.11 -4.92 116.67 121.60 3b9x s ASP 263 Ca 0.29 0.47 0.20 0.00 -0.52 0.00 0.00 52.55 52.99 3b9x s ASP 263 Cb -0.16 -2.44 0.47 0.00 -1.46 0.00 0.00 42.92 39.33 3b9x s ASP 263 CO 0.12 -0.84 1.40 1.33 0.52 0.00 0.00 175.17 177.70 3b9x n VAL 264 N 5.97 0.78 -1.74 1.11 0.24 -1.26 -0.60 118.33 122.82 3b9x n VAL 264 Ca 0.06 -0.89 -0.42 0.00 -2.04 0.00 0.00 64.34 61.05 3b9x n VAL 264 Cb 0.48 0.71 -0.03 0.00 -1.47 0.00 0.00 33.84 33.53 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 -1.16 6.39 0.67 -1.34 0.02 -1.26 -4.93 114.94 113.34 3b9x s ASN 265 Ca 0.38 2.85 -0.17 0.00 -1.02 0.00 0.00 52.86 54.90 3b9x s ASN 265 Cb 0.21 -2.60 -0.00 0.00 0.02 0.00 0.00 41.25 38.88 3b9x s ASN 265 CO 0.28 -0.97 1.21 -1.54 0.02 0.00 0.00 177.10 176.10 3b9x n SER 266 N 4.10 1.61 0.00 -1.22 3.41 -1.26 -3.14 113.62 117.13 3b9x n SER 266 Ca 0.16 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.55 3b9x n SER 266 Cb 0.36 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 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 0.95 -0.50 0.04 5.00 0.00 -1.26 -4.83 105.19 104.59 3b9x n GLY 267 Ca 0.15 -2.23 0.07 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.06 0.05 -0.07 1.61 -0.04 -1.26 -2.36 135.00 132.87 3b9x n PRO 268 Ca 0.00 0.37 0.06 0.00 -0.04 0.00 0.00 63.50 63.89 3b9x n PRO 268 Cb 0.00 -1.61 0.08 0.00 -0.04 0.00 0.00 33.50 31.93 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 -1.00 2.25 -0.76 0.00 9.36 -0.99 -1.13 117.16 124.88 3b9x n TYR 270 Ca 0.09 -0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.29 3b9x n TYR 270 Cb 0.51 -2.67 0.00 0.00 -0.63 0.00 0.00 39.34 36.55 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 4.74 0.58 3.73 2.98 0.00 0.23 -4.72 105.19 112.73 3b9x n GLY 271 Ca 0.25 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.84 4.53 -0.30 1.61 3.52 -0.28 -4.25 118.95 122.94 3b9x s ARG 272 Ca 0.00 1.73 -0.23 0.00 -0.13 0.00 0.00 55.73 57.10 3b9x s ARG 272 Cb 0.00 -3.31 -0.00 0.00 -1.56 0.00 0.00 34.95 30.08 3b9x s ARG 272 CO 0.00 -0.06 0.78 0.95 -0.81 0.00 0.00 175.30 176.15 3b9x s THR 273 N 0.29 4.82 -0.42 4.11 -4.23 -1.26 -0.71 115.64 118.23 3b9x s THR 273 Ca 0.53 1.20 -0.18 0.00 -1.18 0.00 0.00 61.69 62.07 3b9x s THR 273 Cb -0.29 -4.12 0.02 0.00 1.34 0.00 0.00 72.50 69.44 3b9x s THR 273 CO 0.33 -0.21 0.47 -0.69 -0.54 0.00 0.00 174.62 173.97 3b9x s VAL 274 N 2.90 5.05 -0.20 2.29 1.01 0.17 -4.62 120.40 127.00 3b9x s VAL 274 Ca 0.32 -0.26 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 3b9x s VAL 274 Cb -0.14 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 3b9x s VAL 274 CO 0.12 -0.43 0.06 0.00 0.00 0.00 0.00 175.10 174.84 3b9x n ASP 276 N 3.88 5.22 -0.26 0.00 2.03 -0.57 -4.84 116.55 122.02 3b9x n ASP 276 Ca -0.16 -3.05 0.07 0.00 0.52 0.00 0.00 54.79 52.17 3b9x n ASP 276 Cb 0.52 -1.52 0.21 0.00 -0.72 0.00 0.00 41.12 39.61 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 6.47 0.26 -0.02 -0.67 5.08 -1.94 -2.73 114.58 121.04 3b9x h GLU 277 Ca 0.34 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3b9x h GLU 277 Cb 0.76 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3b9x h GLU 277 CO 1.40 0.17 -0.19 1.28 -1.00 0.00 0.00 179.01 180.67 3b9x n LEU 278 N -5.16 2.50 -1.29 1.33 4.77 -1.26 -4.97 117.00 112.91 3b9x n LEU 278 Ca 0.16 -0.86 -0.11 0.00 -0.03 0.00 0.00 56.01 55.17 3b9x n LEU 278 Cb 0.51 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3b9x n LEU 278 CO 0.11 0.43 -0.14 0.61 -1.33 0.00 0.00 177.39 177.08 3b9x n GLY 279 N 1.37 -0.09 0.28 -0.72 0.00 -1.03 -4.94 105.19 100.06 3b9x n GLY 279 Ca 0.12 -0.41 0.17 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.04 0.00 0.00 1.61 -1.51 -1.93 -3.09 116.25 111.29 3b9x h VAL 280 Ca -0.27 -0.52 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 3b9x h VAL 280 Cb 1.20 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 3b9x h VAL 280 CO 0.31 0.00 0.00 -0.07 -1.23 0.00 0.00 177.57 176.58 3b9x h LEU 281 N 0.00 0.00 0.88 4.19 3.38 -1.94 -3.47 115.31 118.35 3b9x h LEU 281 Ca 0.00 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.65 3b9x h LEU 281 Cb 0.52 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.31 3b9x h LEU 281 CO 0.00 0.00 -0.47 0.61 0.09 0.00 0.00 178.44 178.67 3b9x n GLY 282 N 1.02 -0.27 3.62 0.83 0.00 -1.17 -5.03 105.19 104.19 3b9x n GLY 282 Ca 0.04 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -5.38 2.65 0.43 1.61 1.02 -1.26 -5.10 119.74 113.73 3b9x s LYS 283 Ca 0.21 -0.66 -0.25 0.00 0.02 0.00 0.00 55.97 55.29 3b9x s LYS 283 Cb -0.09 -2.57 -0.08 0.00 -0.52 0.00 0.00 37.83 34.57 3b9x s LYS 283 CO 0.26 0.62 1.28 -1.25 -0.92 0.00 0.00 175.35 175.34 3b9x s PRO 284 N -1.37 3.82 0.54 -1.68 0.04 -1.26 -4.65 135.00 130.44 3b9x s PRO 284 Ca 0.17 2.08 -0.22 0.00 0.04 0.00 0.00 61.00 63.07 3b9x s PRO 284 Cb -0.11 -2.62 -0.05 0.00 0.04 0.00 0.00 34.50 31.76 3b9x s PRO 284 CO 0.07 -0.59 1.37 0.00 0.04 0.00 0.00 177.00 177.89 3b9x s ALA 285 N -1.33 2.87 0.00 8.56 0.00 -1.26 -4.49 121.76 126.12 3b9x s ALA 285 Ca 0.60 1.36 0.00 0.00 0.00 0.00 0.00 51.96 53.92 3b9x s ALA 285 Cb -0.36 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.18 3b9x s ALA 285 CO 0.46 -1.37 0.35 0.27 0.00 0.00 0.00 175.76 175.46 3b9x n ASN 286 N -0.94 0.69 -3.77 0.00 0.23 -0.77 -4.83 115.26 105.87 3b9x n ASN 286 Ca 0.10 -0.95 -0.13 0.00 -0.53 0.00 0.00 54.58 53.08 3b9x n ASN 286 Cb 0.44 0.07 -0.12 0.00 -2.08 0.00 0.00 39.78 38.09 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 -0.07 -0.01 -0.41 5.53 2.01 -0.97 -3.96 115.64 117.77 3b9x s THR 287 Ca 0.00 0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.81 3b9x s THR 287 Cb 0.00 -0.37 0.02 0.00 0.01 0.00 0.00 72.50 72.16 3b9x s THR 287 CO 0.00 0.01 0.67 -0.54 -0.69 0.00 0.00 174.62 174.07 3b9x s LYS 288 N 0.33 3.47 -0.17 4.92 1.02 -0.43 -0.75 119.74 128.13 3b9x s LYS 288 Ca -0.02 -0.14 -0.13 0.00 0.02 0.00 0.00 55.97 55.71 3b9x s LYS 288 Cb -0.03 -3.89 -0.05 0.00 -0.52 0.00 0.00 37.83 33.34 3b9x s LYS 288 CO -0.01 -0.92 0.25 0.08 -0.92 0.00 0.00 175.35 173.83 3b9x s VAL 289 N 2.87 5.33 0.07 3.17 1.01 0.12 -0.72 120.40 132.26 3b9x s VAL 289 Ca 0.25 0.45 -0.31 0.00 0.00 0.00 0.00 61.98 62.37 3b9x s VAL 289 Cb -0.14 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 3b9x s VAL 289 CO 0.18 0.40 1.76 -0.83 0.00 0.00 0.00 175.10 176.60 3b9x s GLY 290 N 0.47 1.47 -0.09 4.51 0.00 0.44 -1.47 107.32 112.64 3b9x s GLY 290 Ca 0.14 1.28 -0.12 0.00 0.00 0.00 0.00 44.72 46.02 3b9x s GLY 290 CO 0.02 3.07 -0.23 1.39 0.00 0.00 0.00 173.10 177.35 3b9x n ILE 291 N 4.91 1.38 -4.02 0.90 2.08 0.47 -4.23 119.36 120.85 3b9x n ILE 291 Ca 0.17 0.19 -0.11 0.00 0.56 0.00 0.00 62.75 63.56 3b9x n ILE 291 Cb 0.40 -2.07 -0.11 0.00 -0.75 0.00 0.00 39.64 37.11 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 -2.59 0.32 -0.05 1.39 -4.23 -1.11 -4.43 115.64 104.94 3b9x s THR 292 Ca -0.20 -1.03 0.04 0.00 -1.18 0.00 0.00 61.69 59.32 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 0.29 -0.47 -0.17 -0.51 -0.54 0.00 0.00 174.62 173.22 3b9x s ILE 293 N -1.54 1.45 -0.61 2.99 2.07 -1.26 0.38 121.20 124.69 3b9x s ILE 293 Ca -0.12 -0.72 -0.27 0.00 -1.41 0.00 0.00 60.65 58.13 3b9x s ILE 293 Cb -0.09 -1.25 -0.01 0.00 0.13 0.00 0.00 42.46 41.24 3b9x s ILE 293 CO -0.01 0.42 1.69 -0.62 -1.91 0.00 0.00 174.94 174.51 3b9x s ASP 294 N 0.07 5.59 0.48 4.50 -1.08 -0.10 -4.89 116.67 121.24 3b9x s ASP 294 Ca -0.05 0.26 0.27 0.00 -0.52 0.00 0.00 52.55 52.51 3b9x s ASP 294 Cb -0.12 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 39.93 3b9x s ASP 294 CO 0.02 -2.14 1.91 0.71 0.52 0.00 0.00 175.17 176.19 3b9x h THR 295 N 6.66 0.45 0.05 1.71 1.35 -1.92 -1.69 112.91 119.52 3b9x h THR 295 Ca -0.27 -0.89 -0.00 0.00 -0.55 0.00 0.00 66.41 64.70 3b9x h THR 295 Cb 1.13 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.18 3b9x h THR 295 CO 1.21 0.16 -0.02 0.44 -0.25 0.00 0.00 175.52 177.06 3b9x h ASP 296 N 0.00 -0.06 -0.73 5.36 3.32 -2.00 -1.70 116.42 120.61 3b9x h ASP 296 Ca -0.00 -0.41 0.12 0.00 0.02 0.00 0.00 57.03 56.76 3b9x h ASP 296 Cb 0.61 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.09 3b9x h ASP 296 CO 0.02 0.39 0.31 -0.25 -1.72 0.00 0.00 179.24 178.00 3b9x h TRP 297 N -0.53 0.55 0.05 4.55 7.01 -1.93 -2.55 115.95 123.10 3b9x h TRP 297 Ca -0.01 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 3b9x h TRP 297 Cb 0.47 -0.13 0.00 0.00 -2.10 0.00 0.00 29.16 27.39 3b9x h TRP 297 CO 0.08 0.12 -0.02 0.35 -2.79 0.00 0.00 178.44 176.17 3b9x h PHE 298 N 0.49 -0.06 -0.08 2.65 3.57 -1.27 -1.68 116.94 120.56 3b9x h PHE 298 Ca 0.39 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.86 3b9x h PHE 298 Cb 0.53 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3b9x h PHE 298 CO -0.15 0.46 -0.07 -1.49 -2.23 0.00 0.00 178.31 174.83 3b9x h TRP 299 N -0.64 0.11 -0.72 0.41 -0.00 -1.36 -0.41 115.95 113.35 3b9x h TRP 299 Ca -0.01 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.83 3b9x h TRP 299 Cb 0.55 -0.04 -0.03 0.00 -0.00 0.00 0.00 29.16 29.65 3b9x h TRP 299 CO 0.11 0.19 0.27 0.78 -0.00 0.00 0.00 178.44 179.80 3b9x h GLY 300 N 0.45 1.16 1.32 1.49 0.00 -1.30 -1.32 103.07 104.87 3b9x h GLY 300 Ca 0.03 -0.64 -0.14 0.00 0.00 0.00 0.00 47.33 46.58 3b9x h GLY 300 CO 0.01 0.61 -0.34 -2.00 0.00 0.00 0.00 176.54 174.82 3b9x h LEU 301 N 1.03 0.79 0.09 3.11 5.85 -0.17 -1.54 115.31 124.48 3b9x h LEU 301 Ca 0.24 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3b9x h LEU 301 Cb 0.23 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 3b9x h LEU 301 CO -0.02 1.06 -0.07 0.58 -0.34 0.00 0.00 178.44 179.65 3b9x h VAL 302 N 0.63 0.85 -0.44 1.05 2.07 -0.73 -2.39 116.25 117.29 3b9x h VAL 302 Ca 0.07 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.65 3b9x h VAL 302 Cb 0.87 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3b9x h VAL 302 CO 0.08 0.00 0.13 -0.08 0.02 0.00 0.00 177.57 177.72 3b9x h GLU 303 N -0.17 0.28 -0.77 1.57 4.81 -1.16 0.54 114.58 119.68 3b9x h GLU 303 Ca -0.00 -0.02 0.16 0.00 -0.13 0.00 0.00 59.36 59.37 3b9x h GLU 303 Cb 0.15 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 29.36 3b9x h GLU 303 CO -0.00 0.18 0.27 1.49 -0.73 0.00 0.00 179.01 180.22 3b9x h GLU 304 N 0.29 0.36 -0.27 1.92 4.81 -1.12 -1.26 114.58 119.30 3b9x h GLU 304 Ca 0.21 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.25 3b9x h GLU 304 Cb 0.22 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3b9x h GLU 304 CO -0.23 0.24 -0.50 0.00 -0.73 0.00 0.00 179.01 177.78 3b9x h VAL 306 N 0.58 0.92 0.07 0.00 2.07 -0.20 -2.82 116.25 116.87 3b9x h VAL 306 Ca 0.01 -0.13 -0.25 0.00 0.82 0.00 0.00 66.70 67.15 3b9x h VAL 306 Cb 1.11 0.51 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3b9x h VAL 306 CO 0.11 0.07 -1.10 0.03 0.02 0.00 0.00 177.57 176.70 3b9x h ARG 307 N 0.38 0.36 0.00 1.57 3.08 -1.23 -3.07 114.38 115.47 3b9x h ARG 307 Ca 0.24 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.81 3b9x h ARG 307 Cb 0.46 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.67 3b9x h ARG 307 CO -0.06 1.18 0.24 0.41 -1.07 0.00 0.00 179.97 180.66 3b9x n GLY 308 N 1.23 -0.38 1.37 0.04 0.00 -1.06 -2.07 105.19 104.32 3b9x n GLY 308 Ca -0.08 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.51 1.10 1.00 1.61 4.01 -1.16 -5.11 117.16 117.10 3b9x n TYR 309 Ca -0.00 -0.54 0.12 0.00 -0.16 0.00 0.00 57.90 57.32 3b9x n TYR 309 Cb 0.24 -0.08 0.10 0.00 -0.31 0.00 0.00 39.34 39.30 3b9x n TYR 309 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51