#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jtr s ASN 2 N 0.00 3.35 -0.21 6.43 0.01 -0.60 -3.81 114.94 120.12 3jtr s ASN 2 Ca 0.00 -0.94 -0.08 0.00 -0.71 0.00 0.00 52.86 51.13 3jtr s ASN 2 Cb 0.00 -0.25 0.09 0.00 0.41 0.00 0.00 41.25 41.49 3jtr s ASN 2 CO 0.00 0.05 0.46 -0.94 -1.51 0.00 0.00 177.10 175.16 3jtr s SER 3 N -3.02 -0.46 0.04 -1.22 1.04 -0.10 -3.68 113.70 106.31 3jtr s SER 3 Ca 0.24 1.06 0.09 0.00 0.48 0.00 0.00 55.95 57.82 3jtr s SER 3 Cb -0.06 1.29 -0.03 0.00 0.10 0.00 0.00 66.02 67.32 3jtr s SER 3 CO 0.11 -0.22 -0.26 0.26 0.98 0.00 0.00 173.24 174.11 3jtr s TRP 4 N 2.25 2.26 -0.02 5.02 0.51 -1.25 -1.47 118.94 126.25 3jtr s TRP 4 Ca -0.05 -0.41 0.00 0.00 -2.12 0.00 0.00 56.10 53.53 3jtr s TRP 4 Cb -0.11 -1.36 0.02 0.00 -0.81 0.00 0.00 33.47 31.22 3jtr s TRP 4 CO -0.14 0.12 0.01 0.00 -0.51 0.00 0.00 176.95 176.43 3jtr s ALA 5 N -0.80 0.16 -0.12 0.98 0.00 0.05 -1.40 121.76 120.63 3jtr s ALA 5 Ca 0.11 0.18 0.03 0.00 0.00 0.00 0.00 51.96 52.28 3jtr s ALA 5 Cb -0.10 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3jtr s ALA 5 CO 0.02 -0.06 -0.22 0.08 0.00 0.00 0.00 175.76 175.57 3jtr s VAL 6 N 0.80 2.01 0.56 0.00 1.01 -0.38 -0.33 120.40 124.07 3jtr s VAL 6 Ca -0.07 -0.96 -0.18 0.00 0.00 0.00 0.00 61.98 60.76 3jtr s VAL 6 Cb -0.10 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3jtr s VAL 6 CO -0.02 0.54 1.11 0.00 0.00 0.00 0.00 175.10 176.74 3jtr s ALA 7 N 0.66 2.67 0.30 5.51 0.00 0.82 -2.13 121.76 129.59 3jtr s ALA 7 Ca -0.11 0.73 0.06 0.00 0.00 0.00 0.00 51.96 52.63 3jtr s ALA 7 Cb -0.16 -3.34 0.82 0.00 0.00 0.00 0.00 23.12 20.44 3jtr s ALA 7 CO 0.02 -0.83 1.67 -1.35 0.00 0.00 0.00 175.76 175.27 3jtr h PRO 8 N 0.95 0.32 0.00 0.00 0.11 -1.80 -1.23 132.00 130.35 3jtr h PRO 8 Ca -0.49 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3jtr h PRO 8 Cb 1.25 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 3jtr h PRO 8 CO 0.57 0.21 -0.02 0.78 -0.21 0.00 0.00 178.00 179.33 3jtr h GLY 9 N 0.33 0.00 -1.03 -0.55 0.00 -1.92 -0.83 103.07 99.07 3jtr h GLY 9 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 3jtr h GLY 9 CO -0.59 0.00 0.00 1.17 0.00 0.00 0.00 176.54 177.12 3jtr n LYS 10 N -3.90 1.76 -4.44 4.80 4.81 -0.47 -4.78 118.16 115.93 3jtr n LYS 10 Ca -0.03 -1.16 -0.25 0.00 -0.87 0.00 0.00 58.31 56.01 3jtr n LYS 10 Cb 0.10 -1.33 -0.11 0.00 0.02 0.00 0.00 35.03 33.72 3jtr n LYS 10 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 3jtr s THR 11 N -1.66 2.37 0.13 3.15 -4.23 -0.31 -1.94 115.64 113.15 3jtr s THR 11 Ca 0.28 -2.24 -0.14 0.00 -1.18 0.00 0.00 61.69 58.40 3jtr s THR 11 Cb 0.15 -2.21 -0.02 0.00 1.34 0.00 0.00 72.50 71.76 3jtr s THR 11 CO 0.21 -0.30 1.54 0.00 -0.54 0.00 0.00 174.62 175.53 3jtr h ALA 12 N 2.66 0.56 0.00 3.99 0.00 -1.03 -3.33 119.26 122.11 3jtr h ALA 12 Ca -0.42 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.18 3jtr h ALA 12 Cb 1.24 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.88 3jtr h ALA 12 CO 0.55 0.41 -0.72 0.09 0.00 0.00 0.00 179.25 179.58 3jtr n ASN 13 N -4.35 0.67 0.00 0.00 4.13 -1.26 -4.96 115.26 109.48 3jtr n ASN 13 Ca -0.01 0.03 0.00 0.00 1.68 0.00 0.00 54.58 56.28 3jtr n ASN 13 Cb 0.34 0.33 0.00 0.00 -1.54 0.00 0.00 39.78 38.91 3jtr n ASN 13 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3jtr n GLY 14 N 1.35 0.72 3.52 7.41 0.00 -1.25 -5.07 105.19 111.87 3jtr n GLY 14 Ca 0.03 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3jtr n GLY 14 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3jtr s ASN 15 N -2.17 4.08 0.62 1.61 0.02 -1.26 -4.69 114.94 113.15 3jtr s ASN 15 Ca 0.00 -0.49 -0.16 0.00 -1.02 0.00 0.00 52.86 51.19 3jtr s ASN 15 Cb 0.00 -0.66 -0.02 0.00 0.02 0.00 0.00 41.25 40.59 3jtr s ASN 15 CO 0.00 0.18 1.09 0.00 0.02 0.00 0.00 177.10 178.39 3jtr s ALA 16 N -1.16 2.61 0.06 0.60 0.00 -1.26 -4.52 121.76 118.08 3jtr s ALA 16 Ca 0.19 0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.72 3jtr s ALA 16 Cb -0.11 -3.28 -0.03 0.00 0.00 0.00 0.00 23.12 19.70 3jtr s ALA 16 CO 0.11 -1.02 -0.22 -0.51 0.00 0.00 0.00 175.76 174.12 3jtr s LEU 17 N -4.62 2.19 -0.02 0.00 1.43 -0.91 -1.22 118.68 115.54 3jtr s LEU 17 Ca 0.66 -0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 3jtr s LEU 17 Cb -0.19 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.04 3jtr s LEU 17 CO 0.38 0.16 0.04 -0.22 0.23 0.00 0.00 176.35 176.94 3jtr s LEU 18 N -1.32 1.05 -0.22 1.79 2.96 0.01 -1.25 118.68 121.69 3jtr s LEU 18 Ca 0.08 0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 54.00 3jtr s LEU 18 Cb -0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 46.19 46.54 3jtr s LEU 18 CO 0.02 -0.13 -0.00 -0.22 -1.32 0.00 0.00 176.35 174.70 3jtr s LEU 19 N 1.08 3.15 -0.17 -0.68 2.96 -0.49 -0.61 118.68 123.92 3jtr s LEU 19 Ca -0.09 -0.28 -0.04 0.00 -0.22 0.00 0.00 54.13 53.49 3jtr s LEU 19 Cb -0.13 -1.81 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 3jtr s LEU 19 CO -0.03 0.01 -0.02 -1.10 -1.32 0.00 0.00 176.35 173.89 3jtr s GLN 20 N 1.34 3.70 -0.40 1.98 -0.21 0.82 -3.79 119.66 123.10 3jtr s GLN 20 Ca 0.04 -0.50 0.07 0.00 0.02 0.00 0.00 55.36 55.00 3jtr s GLN 20 Cb -0.15 -2.98 0.34 0.00 1.00 0.00 0.00 33.01 31.22 3jtr s GLN 20 CO 0.00 0.21 1.28 -1.71 -2.12 0.00 0.00 175.29 172.96 3jtr n ASN 21 N 3.64 -1.88 -4.77 5.90 4.05 -1.24 -1.06 115.26 119.91 3jtr n ASN 21 Ca -0.17 -2.57 -0.39 0.00 0.45 0.00 0.00 54.58 51.90 3jtr n ASN 21 Cb 0.52 1.19 -0.02 0.00 1.23 0.00 0.00 39.78 42.70 3jtr n ASN 21 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 3jtr s PRO 22 N 0.19 4.23 -0.27 1.20 0.04 -1.23 -1.55 135.00 137.60 3jtr s PRO 22 Ca 0.20 1.97 -0.06 0.00 0.04 0.00 0.00 61.00 63.15 3jtr s PRO 22 Cb 0.34 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 32.00 3jtr s PRO 22 CO -0.08 -0.21 0.04 -1.01 0.04 0.00 0.00 177.00 175.78 3jtr s HIS 23 N -1.28 3.10 0.18 0.56 3.76 -1.26 -3.60 115.29 116.75 3jtr s HIS 23 Ca 0.53 -0.98 -0.04 0.00 -0.15 0.00 0.00 55.06 54.41 3jtr s HIS 23 Cb -0.34 -2.20 -0.03 0.00 1.11 0.00 0.00 32.58 31.12 3jtr s HIS 23 CO 0.44 -0.56 0.19 -0.51 -0.85 0.00 0.00 174.74 173.44 3jtr s LEU 24 N 1.49 1.17 0.23 0.89 1.43 -1.24 -4.55 118.68 118.09 3jtr s LEU 24 Ca 0.03 -1.19 -0.31 0.00 -1.03 0.00 0.00 54.13 51.64 3jtr s LEU 24 Cb -0.16 0.69 -0.15 0.00 0.03 0.00 0.00 46.19 46.60 3jtr s LEU 24 CO 0.01 -0.86 1.18 -0.24 0.23 0.00 0.00 176.35 176.66 3jtr n SER 25 N -0.23 1.69 0.00 2.29 2.88 -1.26 -2.78 113.62 116.21 3jtr n SER 25 Ca -0.02 1.15 0.13 0.00 -1.33 0.00 0.00 58.87 58.80 3jtr n SER 25 Cb 0.64 -1.29 0.62 0.00 -0.75 0.00 0.00 64.21 63.43 3jtr n SER 25 CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60 3jtr n TRP 26 N 1.18 0.00 -3.09 0.66 7.02 -0.36 -4.54 117.44 118.31 3jtr n TRP 26 Ca 0.12 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.42 3jtr n TRP 26 Cb 0.29 -0.36 -0.04 0.00 -2.42 0.00 0.00 31.31 28.78 3jtr n TRP 26 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 3jtr n THR 27 N -1.36 -0.59 -3.04 -0.99 -1.04 -1.26 -5.03 114.28 100.98 3jtr n THR 27 Ca 0.10 -2.96 0.04 0.00 -2.04 0.00 0.00 64.05 59.20 3jtr n THR 27 Cb 0.24 -0.77 0.00 0.00 -1.82 0.00 0.00 70.33 67.97 3jtr n THR 27 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 3jtr s THR 28 N -0.23 -0.28 0.00 12.58 2.01 -1.26 -5.11 115.64 123.36 3jtr s THR 28 Ca 0.33 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.33 3jtr s THR 28 Cb 0.13 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.46 3jtr s THR 28 CO -0.15 0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.25 3jtr n ASP 29 N 4.67 0.00 0.13 3.53 8.00 -1.26 -1.14 116.55 130.48 3jtr n ASP 29 Ca 0.08 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.71 3jtr n ASP 29 Cb 0.59 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 42.15 3jtr n ASP 29 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 3jtr h TYR 30 N 0.00 0.00 -0.00 1.24 -0.00 -1.99 -1.92 116.97 114.30 3jtr h TYR 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 3jtr h TYR 30 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 3jtr h TYR 30 CO 0.00 0.00 -0.10 1.19 -0.00 0.00 0.00 178.16 179.25 3jtr n PHE 31 N -2.33 0.00 -2.19 0.10 0.99 -0.29 -4.54 117.46 109.20 3jtr n PHE 31 Ca 0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.06 3jtr n PHE 31 Cb 0.33 -0.16 -0.03 0.00 -1.00 0.00 0.00 39.48 38.62 3jtr n PHE 31 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.76 177.75 3jtr s THR 32 N -2.42 3.57 0.34 4.37 2.01 -0.72 -4.84 115.64 117.94 3jtr s THR 32 Ca 0.30 1.02 -0.13 0.00 0.31 0.00 0.00 61.69 63.19 3jtr s THR 32 Cb 0.20 -3.65 -0.08 0.00 0.01 0.00 0.00 72.50 68.98 3jtr s THR 32 CO 0.46 0.02 0.73 -0.31 -0.69 0.00 0.00 174.62 174.82 3jtr s TYR 33 N 2.11 3.40 0.00 4.92 1.51 -1.26 -1.24 117.35 126.80 3jtr s TYR 33 Ca 0.65 1.13 0.01 0.00 -1.01 0.00 0.00 57.07 57.85 3jtr s TYR 33 Cb -0.33 -2.48 -0.01 0.00 -0.11 0.00 0.00 41.96 39.03 3jtr s TYR 33 CO 0.28 0.05 -0.05 -0.47 -1.11 0.00 0.00 175.55 174.26 3jtr s TYR 34 N -2.08 0.41 -0.14 2.71 5.04 0.19 -4.86 117.35 118.63 3jtr s TYR 34 Ca 0.53 -0.13 -0.03 0.00 -2.44 0.00 0.00 57.07 54.99 3jtr s TYR 34 Cb -0.10 -0.26 -0.03 0.00 0.35 0.00 0.00 41.96 41.91 3jtr s TYR 34 CO 0.22 -0.02 -0.03 -2.00 -1.34 0.00 0.00 175.55 172.37 3jtr s GLU 35 N -0.31 3.49 0.27 4.97 2.12 -1.26 -1.32 118.70 126.67 3jtr s GLU 35 Ca -0.00 -0.50 -0.13 0.00 0.36 0.00 0.00 54.97 54.69 3jtr s GLU 35 Cb -0.03 -2.87 0.01 0.00 0.26 0.00 0.00 34.13 31.49 3jtr s GLU 35 CO -0.00 0.35 0.55 0.00 -0.54 0.00 0.00 175.26 175.62 3jtr s ALA 36 N 0.06 -0.35 -0.10 6.30 0.00 -0.25 -5.00 121.76 122.43 3jtr s ALA 36 Ca 0.00 -0.83 -0.04 0.00 0.00 0.00 0.00 51.96 51.09 3jtr s ALA 36 Cb -0.13 1.01 0.05 0.00 0.00 0.00 0.00 23.12 24.05 3jtr s ALA 36 CO 0.03 -0.89 0.20 -1.58 0.00 0.00 0.00 175.76 173.51 3jtr s HIS 37 N -3.76 -0.27 -0.14 0.00 5.04 -1.26 -1.47 115.29 113.44 3jtr s HIS 37 Ca 0.21 0.72 0.01 0.00 -1.54 0.00 0.00 55.06 54.46 3jtr s HIS 37 Cb -0.02 -0.14 -0.00 0.00 0.04 0.00 0.00 32.58 32.45 3jtr s HIS 37 CO 0.10 -0.28 -0.16 -0.51 -2.34 0.00 0.00 174.74 171.55 3jtr s LEU 38 N 2.11 2.47 -0.07 8.88 1.02 0.55 -5.01 118.68 128.62 3jtr s LEU 38 Ca -0.00 -0.45 -0.01 0.00 0.02 0.00 0.00 54.13 53.69 3jtr s LEU 38 Cb -0.12 -1.55 0.03 0.00 0.02 0.00 0.00 46.19 44.57 3jtr s LEU 38 CO -0.07 0.12 -0.01 -0.69 0.02 0.00 0.00 176.35 175.72 3jtr s VAL 39 N 0.60 0.44 0.44 -1.59 1.01 -1.26 -1.54 120.40 118.50 3jtr s VAL 39 Ca -0.09 0.06 0.04 0.00 0.00 0.00 0.00 61.98 61.98 3jtr s VAL 39 Cb -0.16 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 3jtr s VAL 39 CO 0.03 0.26 0.04 0.42 0.00 0.00 0.00 175.10 175.85 3jtr s THR 40 N 1.80 1.26 0.12 3.92 -4.23 -0.46 -5.03 115.64 113.01 3jtr s THR 40 Ca 0.03 -2.00 0.32 0.00 -1.18 0.00 0.00 61.69 58.85 3jtr s THR 40 Cb -0.13 -2.51 0.32 0.00 1.34 0.00 0.00 72.50 71.53 3jtr s THR 40 CO -0.05 0.00 1.96 -0.65 -0.54 0.00 0.00 174.62 175.34 3jtr h PRO 41 N 1.66 0.00 0.00 3.99 0.11 -2.06 -3.25 132.00 132.46 3jtr h PRO 41 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3jtr h PRO 41 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3jtr h PRO 41 CO 0.72 0.00 -1.20 -0.25 -0.21 0.00 0.00 178.00 177.05 3jtr n ASP 42 N -2.63 2.26 -3.60 -2.05 8.00 -1.26 -5.05 116.55 112.20 3jtr n ASP 42 Ca -0.01 -0.17 -0.11 0.00 0.71 0.00 0.00 54.79 55.21 3jtr n ASP 42 Cb 0.09 1.34 -0.04 0.00 -0.02 0.00 0.00 41.12 42.49 3jtr n ASP 42 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3jtr s PHE 43 N -2.48 -0.27 -0.04 1.24 -0.12 -1.23 -5.17 117.98 109.92 3jtr s PHE 43 Ca -0.02 0.01 -0.02 0.00 -0.05 0.00 0.00 56.93 56.85 3jtr s PHE 43 Cb 0.06 0.30 0.02 0.00 -0.63 0.00 0.00 43.02 42.78 3jtr s PHE 43 CO 0.39 -0.71 0.08 -2.00 -0.05 0.00 0.00 175.22 172.94 3jtr s GLU 44 N -3.61 0.05 -0.04 1.99 2.12 -1.26 -1.36 118.70 116.59 3jtr s GLU 44 Ca 0.02 0.22 -0.03 0.00 0.36 0.00 0.00 54.97 55.53 3jtr s GLU 44 Cb 0.01 -0.12 0.01 0.00 0.26 0.00 0.00 34.13 34.29 3jtr s GLU 44 CO -0.11 -0.11 0.09 0.96 -0.54 0.00 0.00 175.26 175.56 3jtr s ILE 45 N 0.73 -0.00 0.02 -3.70 -4.36 -0.59 -4.68 121.20 108.62 3jtr s ILE 45 Ca -0.06 0.01 0.06 0.00 -0.26 0.00 0.00 60.65 60.41 3jtr s ILE 45 Cb -0.08 -0.14 -0.02 0.00 1.25 0.00 0.00 42.46 43.47 3jtr s ILE 45 CO -0.03 0.01 -0.18 -0.47 0.24 0.00 0.00 174.94 174.50 3jtr s TYR 46 N 0.13 1.62 -5.00 1.37 5.04 0.12 -0.33 117.35 120.30 3jtr s TYR 46 Ca -0.01 -0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.29 3jtr s TYR 46 Cb -0.01 -1.00 0.00 0.00 0.35 0.00 0.00 41.96 41.30 3jtr s TYR 46 CO -0.00 0.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.65 3jtr n GLY 47 N 2.22 0.39 3.42 8.97 0.00 -0.54 -1.03 105.19 118.60 3jtr n GLY 47 Ca -0.16 -1.44 -0.28 0.00 0.00 0.00 0.00 46.02 44.14 3jtr n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jtr s ALA 48 N -1.00 2.49 0.14 4.61 0.00 -0.77 -1.09 121.76 126.15 3jtr s ALA 48 Ca 0.00 -1.58 -0.18 0.00 0.00 0.00 0.00 51.96 50.19 3jtr s ALA 48 Cb 0.00 -0.35 0.05 0.00 0.00 0.00 0.00 23.12 22.81 3jtr s ALA 48 CO 0.00 0.47 0.47 -0.08 0.00 0.00 0.00 175.76 176.62 3jtr s THR 49 N -1.47 0.05 0.31 0.00 -1.32 -0.43 -0.85 115.64 111.92 3jtr s THR 49 Ca 0.19 -0.39 -0.29 0.00 -1.21 0.00 0.00 61.69 59.99 3jtr s THR 49 Cb -0.09 -1.12 -0.10 0.00 -1.51 0.00 0.00 72.50 69.69 3jtr s THR 49 CO 0.09 -0.21 1.27 -1.10 -2.21 0.00 0.00 174.62 172.45 3jtr s GLN 50 N -3.79 4.41 0.27 7.08 1.11 -1.26 -0.63 119.66 126.85 3jtr s GLN 50 Ca 0.02 2.12 -0.29 0.00 0.01 0.00 0.00 55.36 57.22 3jtr s GLN 50 Cb 0.01 -3.10 -0.14 0.00 -1.01 0.00 0.00 33.01 28.76 3jtr s GLN 50 CO -0.12 -0.12 1.14 0.44 0.01 0.00 0.00 175.29 176.64 3jtr n ILE 51 N 1.04 1.64 -0.16 1.08 -5.35 -0.37 -1.79 119.36 115.44 3jtr n ILE 51 Ca 0.00 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 3jtr n ILE 51 Cb 0.42 -1.12 0.00 0.00 -1.74 0.00 0.00 39.64 37.20 3jtr n ILE 51 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jtr n GLY 52 N 1.44 1.53 3.70 3.28 0.00 -1.26 -4.96 105.19 108.92 3jtr n GLY 52 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 3jtr n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jtr s LEU 53 N 0.00 4.26 0.00 0.99 1.43 -0.74 -4.96 118.68 119.66 3jtr s LEU 53 Ca 0.00 1.03 0.20 0.00 -1.03 0.00 0.00 54.13 54.33 3jtr s LEU 53 Cb 0.00 -2.97 1.12 0.00 0.03 0.00 0.00 46.19 44.37 3jtr s LEU 53 CO 0.00 -0.14 1.73 -0.81 0.23 0.00 0.00 176.35 177.36 3jtr n PRO 54 N 4.13 1.13 -4.33 1.29 -0.04 -1.26 -4.81 135.00 131.11 3jtr n PRO 54 Ca -0.02 -0.19 -0.22 0.00 -0.04 0.00 0.00 63.50 63.04 3jtr n PRO 54 Cb 0.51 -1.33 -0.13 0.00 -0.04 0.00 0.00 33.50 32.51 3jtr n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3jtr s VAL 55 N -1.97 1.37 -0.34 0.52 -7.23 -1.26 -5.11 120.40 106.38 3jtr s VAL 55 Ca 0.30 -1.27 -0.27 0.00 -1.81 0.00 0.00 61.98 58.93 3jtr s VAL 55 Cb 0.14 -1.25 0.01 0.00 0.56 0.00 0.00 36.38 35.84 3jtr s VAL 55 CO 0.24 -0.04 0.97 -0.63 -0.31 0.00 0.00 175.10 175.33 3jtr s ILE 56 N -1.05 4.58 -0.02 -0.62 1.01 -1.26 -4.82 121.20 119.02 3jtr s ILE 56 Ca 0.03 1.44 0.11 0.00 0.00 0.00 0.00 60.65 62.23 3jtr s ILE 56 Cb -0.09 -4.35 -0.09 0.00 0.01 0.00 0.00 42.46 37.94 3jtr s ILE 56 CO 0.02 -0.47 1.28 0.03 0.00 0.00 0.00 174.94 175.80 3jtr h ARG 57 N 8.26 0.00 -3.46 2.79 3.08 -1.90 -3.37 114.38 119.78 3jtr h ARG 57 Ca -0.22 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.14 3jtr h ARG 57 Cb 1.07 0.00 -0.36 0.00 0.08 0.00 0.00 29.97 30.76 3jtr h ARG 57 CO 0.99 0.71 -0.33 -0.06 -1.07 0.00 0.00 179.97 180.22 3jtr s PHE 58 N -2.82 3.52 0.18 3.04 0.40 -0.03 -4.65 117.98 117.61 3jtr s PHE 58 Ca 0.02 -2.87 0.09 0.00 -0.60 0.00 0.00 56.93 53.57 3jtr s PHE 58 Cb 0.09 -3.15 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 3jtr s PHE 58 CO 0.79 -0.79 -0.12 0.00 0.70 0.00 0.00 175.22 175.80 3jtr s ALA 59 N -0.51 2.88 0.21 5.36 0.00 -1.22 -1.84 121.76 126.64 3jtr s ALA 59 Ca 0.20 -1.49 -0.19 0.00 0.00 0.00 0.00 51.96 50.48 3jtr s ALA 59 Cb -0.16 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.31 3jtr s ALA 59 CO -0.06 0.46 0.58 -0.59 0.00 0.00 0.00 175.76 176.15 3jtr s PHE 60 N -1.69 -0.18 0.00 0.00 -0.12 -0.20 -0.66 117.98 115.13 3jtr s PHE 60 Ca 0.24 -0.17 0.00 0.00 -0.05 0.00 0.00 56.93 56.96 3jtr s PHE 60 Cb -0.09 0.48 0.00 0.00 -0.63 0.00 0.00 43.02 42.78 3jtr s PHE 60 CO 0.14 -0.98 0.00 0.27 -0.05 0.00 0.00 175.22 174.60 3jtr n ASN 61 N -0.38 0.00 0.14 1.98 0.23 -0.22 -0.70 115.26 116.31 3jtr n ASN 61 Ca -0.09 0.00 0.12 0.00 -0.53 0.00 0.00 54.58 54.08 3jtr n ASN 61 Cb 0.62 0.00 0.51 0.00 -2.08 0.00 0.00 39.78 38.83 3jtr n ASN 61 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3jtr n GLN 62 N 0.00 0.20 -0.06 -3.83 1.13 -1.26 -3.84 117.38 109.72 3jtr n GLN 62 Ca 0.00 0.45 -0.09 0.00 -1.94 0.00 0.00 57.00 55.42 3jtr n GLN 62 Cb 0.00 -1.89 -0.05 0.00 0.11 0.00 0.00 30.24 28.40 3jtr n GLN 62 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 3jtr n ARG 63 N -2.27 0.28 -3.89 -1.09 0.63 -1.26 -4.76 116.66 104.30 3jtr n ARG 63 Ca 0.02 0.07 -0.09 0.00 -0.92 0.00 0.00 57.85 56.93 3jtr n ARG 63 Cb 0.22 -1.19 -0.05 0.00 0.45 0.00 0.00 32.46 31.88 3jtr n ARG 63 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3jtr s MET 64 N -2.23 1.39 0.06 -0.14 0.23 -1.25 -0.22 119.30 117.14 3jtr s MET 64 Ca -0.16 -1.08 -0.22 0.00 -1.03 0.00 0.00 55.69 53.20 3jtr s MET 64 Cb 0.04 0.47 0.05 0.00 -1.53 0.00 0.00 34.83 33.86 3jtr s MET 64 CO 0.26 -0.57 0.52 0.20 -2.03 0.00 0.00 175.02 173.40 3jtr s GLY 65 N -2.95 -0.44 0.28 3.16 0.00 -0.63 -1.06 107.32 105.68 3jtr s GLY 65 Ca 0.16 0.54 0.05 0.00 0.00 0.00 0.00 44.72 45.47 3jtr s GLY 65 CO 0.02 0.24 -0.01 -0.26 0.00 0.00 0.00 173.10 173.10 3jtr s ILE 66 N -2.69 1.31 0.18 0.90 -4.36 0.17 -1.86 121.20 114.85 3jtr s ILE 66 Ca -0.04 -2.06 -0.11 0.00 -0.26 0.00 0.00 60.65 58.18 3jtr s ILE 66 Cb -0.00 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.19 3jtr s ILE 66 CO -0.04 -0.22 0.36 0.28 0.24 0.00 0.00 174.94 175.56 3jtr s THR 67 N -3.23 0.05 -0.00 8.37 -1.32 -0.41 -3.45 115.64 115.65 3jtr s THR 67 Ca 0.31 -1.23 0.04 0.00 -1.21 0.00 0.00 61.69 59.60 3jtr s THR 67 Cb 0.06 -1.79 -0.01 0.00 -1.51 0.00 0.00 72.50 69.25 3jtr s THR 67 CO 0.12 -0.23 -0.12 0.20 -2.21 0.00 0.00 174.62 172.38 3jtr s ASN 68 N -2.95 1.37 0.08 8.08 0.01 -1.26 -1.42 114.94 118.85 3jtr s ASN 68 Ca 0.15 -0.25 0.03 0.00 -0.71 0.00 0.00 52.86 52.09 3jtr s ASN 68 Cb 0.02 -0.14 -0.03 0.00 0.41 0.00 0.00 41.25 41.51 3jtr s ASN 68 CO -0.00 0.12 -0.09 0.42 -1.51 0.00 0.00 177.10 176.04 3jtr s THR 69 N -0.36 0.82 0.19 1.60 -4.23 -0.36 -4.69 115.64 108.61 3jtr s THR 69 Ca 0.04 -1.56 -0.30 0.00 -1.18 0.00 0.00 61.69 58.69 3jtr s THR 69 Cb -0.05 -1.25 -0.08 0.00 1.34 0.00 0.00 72.50 72.46 3jtr s THR 69 CO -0.00 -0.56 1.23 -0.69 -0.54 0.00 0.00 174.62 174.06 3jtr s VAL 70 N -2.38 3.48 0.00 2.29 1.01 -1.26 0.00 120.40 123.54 3jtr s VAL 70 Ca 0.03 1.23 0.00 0.00 0.00 0.00 0.00 61.98 63.24 3jtr s VAL 70 Cb -0.03 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.56 3jtr s VAL 70 CO -0.01 0.19 0.24 -0.46 0.00 0.00 0.00 175.10 175.06 3jtr n ASN 71 N 2.58 0.47 -0.43 3.32 0.23 -1.26 -4.55 115.26 115.62 3jtr n ASN 71 Ca 0.05 -0.74 -0.06 0.00 -0.53 0.00 0.00 54.58 53.31 3jtr n ASN 71 Cb 0.44 0.44 -0.02 0.00 -2.08 0.00 0.00 39.78 38.56 3jtr n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3jtr n GLY 72 N 0.44 0.71 2.14 4.83 0.00 -1.26 -4.87 105.19 107.17 3jtr n GLY 72 Ca 0.00 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 3jtr n GLY 72 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3jtr n MET 73 N -1.49 0.00 -2.50 1.61 0.00 -1.26 -4.73 117.12 108.76 3jtr n MET 73 Ca -0.06 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.24 3jtr n MET 73 Cb 0.35 -0.94 -0.03 0.00 0.00 0.00 0.00 33.22 32.60 3jtr n MET 73 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3jtr s VAL 74 N 3.21 3.76 -1.24 1.12 1.01 -1.26 -4.72 120.40 122.28 3jtr s VAL 74 Ca 0.73 -0.09 0.12 0.00 0.00 0.00 0.00 61.98 62.74 3jtr s VAL 74 Cb -0.94 -4.87 0.24 0.00 0.00 0.00 0.00 36.38 30.81 3jtr s VAL 74 CO 0.44 -1.79 1.12 0.61 0.00 0.00 0.00 175.10 175.49 3jtr n GLY 75 N 6.04 1.51 3.16 4.51 0.00 -1.26 -4.55 105.19 114.61 3jtr n GLY 75 Ca 0.17 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 3jtr n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jtr s ALA 76 N -1.01 0.93 -0.04 4.61 0.00 -1.26 -0.16 121.76 124.83 3jtr s ALA 76 Ca 0.21 -1.35 0.02 0.00 0.00 0.00 0.00 51.96 50.84 3jtr s ALA 76 Cb 0.12 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.47 3jtr s ALA 76 CO 0.17 -0.27 -0.10 0.99 0.00 0.00 0.00 175.76 176.55 3jtr s THR 77 N -3.68 0.89 -0.24 0.00 2.01 -0.25 -4.94 115.64 109.43 3jtr s THR 77 Ca 0.12 -0.38 -0.12 0.00 0.31 0.00 0.00 61.69 61.62 3jtr s THR 77 Cb 0.06 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 3jtr s THR 77 CO -0.05 0.28 0.21 0.20 -0.69 0.00 0.00 174.62 174.58 3jtr s ASN 78 N 0.40 6.15 -0.17 3.53 -0.87 -1.26 -1.07 114.94 121.66 3jtr s ASN 78 Ca -0.07 0.16 -0.04 0.00 -1.57 0.00 0.00 52.86 51.33 3jtr s ASN 78 Cb -0.12 -2.13 -0.03 0.00 -0.02 0.00 0.00 41.25 38.96 3jtr s ASN 78 CO 0.01 0.01 -0.02 -0.31 -2.57 0.00 0.00 177.10 174.22 3jtr s TYR 79 N 1.28 3.04 -0.19 2.20 1.51 0.00 -1.10 117.35 124.08 3jtr s TYR 79 Ca 0.10 -0.33 -0.27 0.00 -1.01 0.00 0.00 57.07 55.56 3jtr s TYR 79 Cb -0.14 -2.01 -0.00 0.00 -0.11 0.00 0.00 41.96 39.70 3jtr s TYR 79 CO 0.06 -0.09 0.93 0.50 -1.11 0.00 0.00 175.55 175.85 3jtr s ARG 80 N 0.56 4.28 0.12 -0.62 3.52 -0.24 -1.22 118.95 125.35 3jtr s ARG 80 Ca -0.02 1.18 -0.03 0.00 -0.13 0.00 0.00 55.73 56.74 3jtr s ARG 80 Cb -0.14 -3.61 -0.05 0.00 -1.56 0.00 0.00 34.95 29.59 3jtr s ARG 80 CO 0.02 -0.47 0.32 -0.51 -0.81 0.00 0.00 175.30 173.85 3jtr s LEU 81 N 2.64 4.30 -0.46 -0.88 1.43 -0.73 0.79 118.68 125.77 3jtr s LEU 81 Ca 0.41 0.46 -0.13 0.00 -1.03 0.00 0.00 54.13 53.84 3jtr s LEU 81 Cb -0.16 -3.17 0.08 0.00 0.03 0.00 0.00 46.19 42.96 3jtr s LEU 81 CO 0.10 0.09 0.36 -0.89 0.23 0.00 0.00 176.35 176.24 3jtr s THR 82 N -1.62 4.89 0.10 5.49 2.01 -1.26 -4.65 115.64 120.61 3jtr s THR 82 Ca 0.39 -1.22 -0.31 0.00 0.31 0.00 0.00 61.69 60.86 3jtr s THR 82 Cb -0.12 -3.97 -0.07 0.00 0.01 0.00 0.00 72.50 68.35 3jtr s THR 82 CO 0.26 -0.58 1.28 -0.76 -0.69 0.00 0.00 174.62 174.13 3jtr s LEU 83 N 1.56 4.38 -0.27 4.42 1.02 -1.26 -0.71 118.68 127.82 3jtr s LEU 83 Ca 0.04 2.18 -0.13 0.00 0.02 0.00 0.00 54.13 56.23 3jtr s LEU 83 Cb -0.24 -3.59 0.09 0.00 0.02 0.00 0.00 46.19 42.47 3jtr s LEU 83 CO 0.05 -0.54 0.64 -1.58 0.02 0.00 0.00 176.35 174.94 3jtr s GLN 84 N 0.91 0.63 -1.22 1.70 0.74 -0.97 -4.88 119.66 116.57 3jtr s GLN 84 Ca 0.60 1.24 0.00 0.00 0.05 0.00 0.00 55.36 57.25 3jtr s GLN 84 Cb -0.33 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.10 3jtr s GLN 84 CO 0.31 -0.17 0.00 -0.25 -0.55 0.00 0.00 175.29 174.63 3jtr n ASP 85 N 4.65 -4.32 0.00 6.67 8.00 -1.26 -2.36 116.55 127.93 3jtr n ASP 85 Ca -0.18 0.02 0.00 0.00 0.71 0.00 0.00 54.79 55.35 3jtr n ASP 85 Cb 0.56 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.21 3jtr n ASP 85 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jtr n GLY 86 N -1.04 3.06 0.00 0.44 0.00 -1.26 -4.95 105.19 101.44 3jtr n GLY 86 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3jtr n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jtr n GLY 87 N -2.00 3.36 2.99 -0.02 0.00 -0.99 -4.66 105.19 103.87 3jtr n GLY 87 Ca 0.00 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 44.13 3jtr n GLY 87 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3jtr s TYR 88 N 3.53 -0.07 0.11 1.61 1.13 -0.57 -2.28 117.35 120.80 3jtr s TYR 88 Ca 0.00 0.18 -0.31 0.00 -1.41 0.00 0.00 57.07 55.53 3jtr s TYR 88 Cb 0.00 0.02 -0.08 0.00 -1.10 0.00 0.00 41.96 40.79 3jtr s TYR 88 CO 0.00 -0.09 1.46 -1.17 -2.51 0.00 0.00 175.55 173.24 3jtr s LEU 89 N -0.18 4.36 -0.20 -3.49 2.96 0.11 -2.04 118.68 120.19 3jtr s LEU 89 Ca -0.02 2.39 -0.08 0.00 -0.22 0.00 0.00 54.13 56.20 3jtr s LEU 89 Cb -0.02 -3.58 0.09 0.00 0.50 0.00 0.00 46.19 43.18 3jtr s LEU 89 CO 0.00 -0.72 0.44 -0.47 -1.32 0.00 0.00 176.35 174.29 3jtr s TYR 90 N 1.37 -0.82 -1.22 5.38 5.04 -0.34 -4.20 117.35 122.55 3jtr s TYR 90 Ca 0.67 1.57 -0.21 0.00 -2.44 0.00 0.00 57.07 56.66 3jtr s TYR 90 Cb -0.38 0.35 0.01 0.00 0.35 0.00 0.00 41.96 42.29 3jtr s TYR 90 CO 0.30 -0.48 0.66 -0.25 -1.34 0.00 0.00 175.55 174.45 3jtr n ASP 91 N 5.19 -3.88 0.00 4.32 10.43 -0.59 -1.80 116.55 130.22 3jtr n ASP 91 Ca -0.11 -1.12 0.00 0.00 2.57 0.00 0.00 54.79 56.12 3jtr n ASP 91 Cb 0.51 -2.70 0.00 0.00 1.84 0.00 0.00 41.12 40.77 3jtr n ASP 91 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3jtr n GLY 92 N -1.91 1.10 3.52 0.44 0.00 -1.26 -4.94 105.19 102.13 3jtr n GLY 92 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3jtr n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jtr s GLN 93 N 0.00 2.63 0.05 1.61 -1.52 -0.75 -5.10 119.66 116.58 3jtr s GLN 93 Ca 0.00 -0.64 -0.31 0.00 -1.95 0.00 0.00 55.36 52.47 3jtr s GLN 93 Cb 0.00 -2.47 -0.06 0.00 -0.22 0.00 0.00 33.01 30.26 3jtr s GLN 93 CO 0.00 0.63 1.27 0.08 -0.25 0.00 0.00 175.29 177.02 3jtr s VAL 94 N -0.73 3.86 -0.05 1.09 1.01 -1.26 -1.20 120.40 123.12 3jtr s VAL 94 Ca 0.11 1.31 0.03 0.00 0.00 0.00 0.00 61.98 63.44 3jtr s VAL 94 Cb -0.11 -3.84 0.00 0.00 0.00 0.00 0.00 36.38 32.43 3jtr s VAL 94 CO 0.01 0.07 -0.15 -0.60 0.00 0.00 0.00 175.10 174.44 3jtr s ARG 95 N 1.41 1.68 0.57 2.72 3.52 -0.87 -4.93 118.95 123.05 3jtr s ARG 95 Ca 0.60 -0.51 -0.14 0.00 -0.13 0.00 0.00 55.73 55.55 3jtr s ARG 95 Cb -0.31 -1.43 -0.06 0.00 -1.56 0.00 0.00 34.95 31.59 3jtr s ARG 95 CO 0.28 0.15 1.01 -1.25 -0.81 0.00 0.00 175.30 174.68 3jtr s PRO 96 N 0.28 3.74 0.46 5.12 0.05 -1.26 -1.52 135.00 141.86 3jtr s PRO 96 Ca -0.08 0.89 -0.20 0.00 0.05 0.00 0.00 61.00 61.66 3jtr s PRO 96 Cb -0.13 -2.10 -0.10 0.00 0.05 0.00 0.00 34.50 32.22 3jtr s PRO 96 CO 0.03 -0.45 0.97 -0.06 0.05 0.00 0.00 177.00 177.54 3jtr s PHE 97 N -2.84 3.27 0.06 0.56 0.40 -1.26 -4.91 117.98 113.27 3jtr s PHE 97 Ca 0.58 1.58 -0.30 0.00 -0.60 0.00 0.00 56.93 58.18 3jtr s PHE 97 Cb -0.11 -2.88 -0.05 0.00 0.51 0.00 0.00 43.02 40.49 3jtr s PHE 97 CO 0.41 -0.29 1.13 -1.21 0.70 0.00 0.00 175.22 175.96 3jtr s GLU 98 N -3.35 4.49 -0.08 0.44 2.02 -0.30 -4.90 118.70 117.03 3jtr s GLU 98 Ca 0.62 1.68 0.05 0.00 0.02 0.00 0.00 54.97 57.34 3jtr s GLU 98 Cb -0.10 -3.36 -0.00 0.00 0.10 0.00 0.00 34.13 30.76 3jtr s GLU 98 CO 0.18 -0.16 -0.23 1.03 0.02 0.00 0.00 175.26 176.10 3jtr s ARG 99 N 0.83 2.65 0.04 1.61 0.52 -1.26 -0.57 118.95 122.77 3jtr s ARG 99 Ca 0.56 -0.83 0.06 0.00 -0.52 0.00 0.00 55.73 54.99 3jtr s ARG 99 Cb -0.27 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.06 3jtr s ARG 99 CO 0.30 0.25 -0.17 -0.98 0.02 0.00 0.00 175.30 174.72 3jtr s ARG 100 N 0.14 1.14 -0.42 3.54 1.70 -0.19 -4.99 118.95 119.87 3jtr s ARG 100 Ca -0.11 -0.83 -0.18 0.00 -0.47 0.00 0.00 55.73 54.14 3jtr s ARG 100 Cb -0.16 -1.20 0.02 0.00 -0.57 0.00 0.00 34.95 33.05 3jtr s ARG 100 CO 0.06 0.30 0.47 -0.65 -1.08 0.00 0.00 175.30 174.40 3jtr s GLN 101 N -1.13 3.16 0.48 3.89 -1.52 -1.26 -0.40 119.66 122.88 3jtr s GLN 101 Ca 0.04 -0.66 0.06 0.00 -1.95 0.00 0.00 55.36 52.85 3jtr s GLN 101 Cb -0.08 -3.95 -0.00 0.00 -0.22 0.00 0.00 33.01 28.75 3jtr s GLN 101 CO 0.01 -0.86 0.29 0.00 -0.25 0.00 0.00 175.29 174.49 3jtr s ALA 102 N 2.25 4.09 0.13 6.09 0.00 -0.65 -4.98 121.76 128.68 3jtr s ALA 102 Ca 0.14 -1.51 -0.08 0.00 0.00 0.00 0.00 51.96 50.51 3jtr s ALA 102 Cb -0.16 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 3jtr s ALA 102 CO 0.14 -0.29 0.23 -1.54 0.00 0.00 0.00 175.76 174.30 3jtr s SER 103 N -4.10 0.10 0.06 0.00 1.04 -1.26 -0.56 113.70 108.98 3jtr s SER 103 Ca 0.35 -0.79 -0.05 0.00 0.48 0.00 0.00 55.95 55.94 3jtr s SER 103 Cb -0.00 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.48 3jtr s SER 103 CO 0.20 -0.81 0.09 -0.72 0.98 0.00 0.00 173.24 172.99 3jtr s TYR 104 N -3.92 0.29 0.08 5.02 -0.85 -0.56 -4.95 117.35 112.46 3jtr s TYR 104 Ca 0.12 -0.72 -0.15 0.00 -0.52 0.00 0.00 57.07 55.80 3jtr s TYR 104 Cb 0.04 -0.19 -0.06 0.00 0.38 0.00 0.00 41.96 42.12 3jtr s TYR 104 CO -0.05 -0.44 0.49 1.03 -1.52 0.00 0.00 175.55 175.06 3jtr s ARG 105 N -3.50 3.98 -0.17 -3.49 3.00 -1.26 -0.58 118.95 116.91 3jtr s ARG 105 Ca 0.03 0.47 -0.01 0.00 0.00 0.00 0.00 55.73 56.22 3jtr s ARG 105 Cb 0.04 -3.10 -0.00 0.00 0.00 0.00 0.00 34.95 31.89 3jtr s ARG 105 CO -0.09 0.59 -0.12 -1.17 0.00 0.00 0.00 175.30 174.51 3jtr s LEU 106 N -1.50 2.60 0.10 2.53 2.96 -0.70 -4.95 118.68 119.72 3jtr s LEU 106 Ca 0.31 -0.44 -0.31 0.00 -0.22 0.00 0.00 54.13 53.47 3jtr s LEU 106 Cb -0.16 -1.61 -0.07 0.00 0.50 0.00 0.00 46.19 44.84 3jtr s LEU 106 CO 0.17 0.06 1.39 -0.60 -1.32 0.00 0.00 176.35 176.05 3jtr s ARG 107 N 0.97 4.32 0.28 1.98 3.00 -1.26 -1.82 118.95 126.42 3jtr s ARG 107 Ca -0.02 2.05 -0.00 0.00 -1.00 0.00 0.00 55.73 56.76 3jtr s ARG 107 Cb -0.15 -3.30 -0.04 0.00 0.00 0.00 0.00 34.95 31.46 3jtr s ARG 107 CO -0.02 -0.45 0.49 -0.65 0.00 0.00 0.00 175.30 174.67 3jtr s GLN 108 N 1.30 3.52 0.50 5.12 -1.52 0.11 -4.97 119.66 123.72 3jtr s GLN 108 Ca 0.64 -0.31 0.37 0.00 -1.95 0.00 0.00 55.36 54.11 3jtr s GLN 108 Cb -0.36 -2.73 1.52 0.00 -0.22 0.00 0.00 33.01 31.22 3jtr s GLN 108 CO 0.30 0.26 1.69 0.00 -0.25 0.00 0.00 175.29 177.28 3jtr h ALA 109 N 1.32 3.13 -0.34 6.09 0.00 -1.96 -1.46 119.26 126.05 3jtr h ALA 109 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3jtr h ALA 109 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3jtr h ALA 109 CO 0.64 -1.62 0.00 -0.40 0.00 0.00 0.00 179.25 177.87 3jtr n ASP 110 N -4.30 2.21 0.00 0.00 3.85 -1.26 -4.91 116.55 112.14 3jtr n ASP 110 Ca 0.34 -2.10 0.00 0.00 -0.71 0.00 0.00 54.79 52.32 3jtr n ASP 110 Cb 1.48 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 40.93 3jtr n ASP 110 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jtr n GLY 111 N 0.90 2.70 3.88 6.12 0.00 -0.55 -5.05 105.19 113.20 3jtr n GLY 111 Ca 0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3jtr n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jtr s THR 112 N -2.07 2.88 0.00 2.61 -4.23 -1.26 -4.81 115.64 108.77 3jtr s THR 112 Ca 0.00 0.29 0.07 0.00 -1.18 0.00 0.00 61.69 60.86 3jtr s THR 112 Cb 0.00 -3.26 -0.03 0.00 1.34 0.00 0.00 72.50 70.56 3jtr s THR 112 CO 0.00 -0.37 -0.20 0.42 -0.54 0.00 0.00 174.62 173.92 3jtr s THR 113 N -3.42 2.57 0.14 3.99 -4.23 -1.26 0.06 115.64 113.49 3jtr s THR 113 Ca 0.60 -1.08 0.02 0.00 -1.18 0.00 0.00 61.69 60.05 3jtr s THR 113 Cb -0.11 -2.01 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 3jtr s THR 113 CO 0.51 0.47 0.28 0.68 -0.54 0.00 0.00 174.62 176.02 3jtr s VAL 114 N -0.78 5.33 -0.23 2.29 -7.23 -0.75 -4.91 120.40 114.11 3jtr s VAL 114 Ca 0.12 -0.63 -0.17 0.00 -1.81 0.00 0.00 61.98 59.50 3jtr s VAL 114 Cb -0.10 -3.73 -0.03 0.00 0.56 0.00 0.00 36.38 33.08 3jtr s VAL 114 CO 0.02 -0.06 0.45 -0.62 -0.31 0.00 0.00 175.10 174.58 3jtr s ASP 115 N -3.13 6.42 -0.18 4.85 -1.08 -1.26 -1.72 116.67 120.58 3jtr s ASP 115 Ca 0.35 0.50 -0.01 0.00 -0.52 0.00 0.00 52.55 52.87 3jtr s ASP 115 Cb -0.11 -2.25 -0.00 0.00 -1.46 0.00 0.00 42.92 39.09 3jtr s ASP 115 CO 0.28 -0.18 -0.13 -0.54 0.52 0.00 0.00 175.17 175.13 3jtr s LYS 116 N 1.81 3.24 0.51 4.34 1.02 0.25 -4.99 119.74 125.92 3jtr s LYS 116 Ca 0.20 -0.72 -0.22 0.00 0.02 0.00 0.00 55.97 55.25 3jtr s LYS 116 Cb -0.15 -2.73 -0.06 0.00 -0.52 0.00 0.00 37.83 34.37 3jtr s LYS 116 CO 0.09 -0.07 1.26 -1.25 -0.92 0.00 0.00 175.35 174.46 3jtr s PRO 117 N 1.05 3.43 -0.28 -1.68 0.04 -1.26 -1.49 135.00 134.80 3jtr s PRO 117 Ca -0.01 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.03 3jtr s PRO 117 Cb -0.15 -2.32 0.14 0.00 0.04 0.00 0.00 34.50 32.21 3jtr s PRO 117 CO -0.03 -0.89 0.31 -1.17 0.04 0.00 0.00 177.00 175.27 3jtr s LEU 118 N -3.30 -0.33 0.20 -3.56 2.96 0.28 -4.88 118.68 110.05 3jtr s LEU 118 Ca 0.68 -0.60 -0.30 0.00 -0.22 0.00 0.00 54.13 53.69 3jtr s LEU 118 Cb -0.34 0.61 -0.09 0.00 0.50 0.00 0.00 46.19 46.87 3jtr s LEU 118 CO 0.41 -0.37 1.32 -0.70 -1.32 0.00 0.00 176.35 175.69 3jtr s GLU 119 N 2.39 4.38 -0.26 1.98 2.12 -1.26 -1.63 118.70 126.43 3jtr s GLU 119 Ca 0.09 2.07 0.02 0.00 0.36 0.00 0.00 54.97 57.51 3jtr s GLU 119 Cb -0.14 -3.19 0.05 0.00 0.26 0.00 0.00 34.13 31.11 3jtr s GLU 119 CO -0.30 -0.27 -0.10 0.42 -0.54 0.00 0.00 175.26 174.47 3jtr s ILE 120 N 0.13 2.31 -0.03 -3.70 1.01 0.47 -4.95 121.20 116.45 3jtr s ILE 120 Ca 0.57 -1.50 0.01 0.00 0.00 0.00 0.00 60.65 59.73 3jtr s ILE 120 Cb -0.37 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 3jtr s ILE 120 CO 0.38 0.03 -0.01 -0.13 0.00 0.00 0.00 174.94 175.21 3jtr s ARG 121 N 1.15 2.81 0.03 2.79 0.52 -1.26 -1.03 118.95 123.97 3jtr s ARG 121 Ca -0.07 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.61 3jtr s ARG 121 Cb -0.19 -2.68 -0.02 0.00 0.52 0.00 0.00 34.95 32.59 3jtr s ARG 121 CO -0.05 0.65 -0.10 -1.12 0.02 0.00 0.00 175.30 174.69 3jtr s SER 122 N -1.31 1.18 0.46 0.23 0.01 0.26 -0.22 113.70 114.31 3jtr s SER 122 Ca 0.17 -0.41 0.07 0.00 1.31 0.00 0.00 55.95 57.09 3jtr s SER 122 Cb -0.11 -0.05 0.07 0.00 0.21 0.00 0.00 66.02 66.14 3jtr s SER 122 CO 0.07 -0.04 0.61 -1.54 0.41 0.00 0.00 173.24 172.75 3jtr n SER 123 N 1.97 1.73 -0.36 2.44 3.41 -0.79 -1.15 113.62 120.88 3jtr n SER 123 Ca -0.19 -2.24 0.27 0.00 -0.26 0.00 0.00 58.87 56.46 3jtr n SER 123 Cb 0.55 -0.31 0.55 0.00 -0.26 0.00 0.00 64.21 64.74 3jtr n SER 123 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 3jtr h VAL 124 N 0.13 0.38 0.01 -3.33 -1.51 -1.99 -2.89 116.25 107.05 3jtr h VAL 124 Ca -0.22 -0.10 -0.00 0.00 -1.23 0.00 0.00 66.70 65.15 3jtr h VAL 124 Cb 0.99 0.06 0.00 0.00 -2.13 0.00 0.00 31.29 30.21 3jtr h VAL 124 CO 0.32 0.05 -0.01 0.45 -1.23 0.00 0.00 177.57 177.15 3jtr h HIS 125 N 0.29 -0.02 0.00 5.19 3.86 -1.94 -3.50 115.15 119.04 3jtr h HIS 125 Ca 0.68 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.89 3jtr h HIS 125 Cb 1.85 0.01 0.00 0.00 1.06 0.00 0.00 27.41 30.32 3jtr h HIS 125 CO -0.00 0.46 0.00 0.41 0.86 0.00 0.00 177.93 179.65 3jtr n GLY 126 N 0.20 -1.29 3.71 2.45 0.00 -1.09 -4.34 105.19 104.83 3jtr n GLY 126 Ca -0.08 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 3jtr n GLY 126 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3jtr n PRO 127 N 0.00 1.57 -4.44 1.61 -0.02 -1.24 -1.88 135.00 130.60 3jtr n PRO 127 Ca 0.00 0.58 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 3jtr n PRO 127 Cb 0.00 -2.45 -0.11 0.00 -0.02 0.00 0.00 33.50 30.91 3jtr n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3jtr s VAL 128 N -1.31 3.97 -0.02 -1.45 1.01 0.69 -1.86 120.40 121.43 3jtr s VAL 128 Ca 0.71 -0.35 0.07 0.00 0.00 0.00 0.00 61.98 62.40 3jtr s VAL 128 Cb -0.44 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 3jtr s VAL 128 CO 0.50 0.55 -0.22 -0.36 0.00 0.00 0.00 175.10 175.57 3jtr s PHE 129 N -0.25 2.03 -0.29 5.22 0.40 0.21 -4.69 117.98 120.62 3jtr s PHE 129 Ca 0.04 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.84 3jtr s PHE 129 Cb -0.13 -1.31 -0.04 0.00 0.51 0.00 0.00 43.02 42.05 3jtr s PHE 129 CO 0.02 -0.05 0.28 -2.00 0.70 0.00 0.00 175.22 174.17 3jtr s GLU 130 N -0.48 3.91 0.65 0.44 2.12 -1.26 0.15 118.70 124.23 3jtr s GLU 130 Ca 0.07 -0.21 -0.14 0.00 0.36 0.00 0.00 54.97 55.06 3jtr s GLU 130 Cb -0.09 -3.68 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 3jtr s GLU 130 CO -0.00 -0.26 1.07 1.03 -0.54 0.00 0.00 175.26 176.55 3jtr s ARG 131 N 1.90 3.05 0.67 4.30 0.52 -0.31 -4.92 118.95 124.15 3jtr s ARG 131 Ca 0.10 1.13 0.34 0.00 -0.52 0.00 0.00 55.73 56.79 3jtr s ARG 131 Cb -0.16 -2.00 1.87 0.00 0.52 0.00 0.00 34.95 35.18 3jtr s ARG 131 CO 0.11 -1.02 2.06 0.00 0.02 0.00 0.00 175.30 176.46 3jtr h ALA 132 N -0.13 1.25 -0.01 2.13 0.00 -1.98 0.70 119.26 121.22 3jtr h ALA 132 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3jtr h ALA 132 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3jtr h ALA 132 CO 0.56 -0.24 -0.33 -0.40 0.00 0.00 0.00 179.25 178.84 3jtr n ASP 133 N -2.97 1.25 0.00 0.00 3.85 -1.26 -4.98 116.55 112.43 3jtr n ASP 133 Ca -0.02 -1.02 0.00 0.00 -0.71 0.00 0.00 54.79 53.04 3jtr n ASP 133 Cb 0.29 0.24 0.00 0.00 -1.35 0.00 0.00 41.12 40.30 3jtr n ASP 133 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3jtr n GLY 134 N 1.37 2.39 3.67 6.12 0.00 0.24 -5.06 105.19 113.92 3jtr n GLY 134 Ca 0.11 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.67 3jtr n GLY 134 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3jtr n THR 135 N -1.39 0.63 -2.94 2.61 -1.04 -1.26 -4.73 114.28 106.16 3jtr n THR 135 Ca 0.00 -0.13 -0.41 0.00 -2.04 0.00 0.00 64.05 61.47 3jtr n THR 135 Cb 0.00 -2.03 -0.05 0.00 -1.82 0.00 0.00 70.33 66.44 3jtr n THR 135 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3jtr s ALA 136 N 4.37 3.60 -0.08 2.41 0.00 -1.26 -1.16 121.76 129.64 3jtr s ALA 136 Ca 0.92 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.78 3jtr s ALA 136 Cb -0.61 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.30 3jtr s ALA 136 CO 0.48 -0.81 -0.21 0.08 0.00 0.00 0.00 175.76 175.30 3jtr s VAL 137 N 2.55 1.84 -0.14 0.00 1.01 0.12 -1.77 120.40 124.02 3jtr s VAL 137 Ca 0.34 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 61.39 3jtr s VAL 137 Cb -0.16 -1.60 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 3jtr s VAL 137 CO 0.09 0.51 -0.06 0.00 0.00 0.00 0.00 175.10 175.65 3jtr s ALA 138 N 0.30 2.95 -0.17 5.51 0.00 -0.36 0.67 121.76 130.66 3jtr s ALA 138 Ca -0.15 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 50.92 3jtr s ALA 138 Cb -0.16 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.47 3jtr s ALA 138 CO 0.07 0.29 0.01 0.54 0.00 0.00 0.00 175.76 176.67 3jtr s VAL 139 N 0.13 4.33 -0.26 0.00 0.11 -0.78 -0.82 120.40 123.12 3jtr s VAL 139 Ca -0.02 -0.20 0.02 0.00 -2.93 0.00 0.00 61.98 58.84 3jtr s VAL 139 Cb -0.14 -2.92 0.05 0.00 -1.53 0.00 0.00 36.38 31.84 3jtr s VAL 139 CO 0.03 0.48 -0.09 -0.60 -3.33 0.00 0.00 175.10 171.59 3jtr s ARG 140 N 0.32 2.36 -0.23 1.54 3.52 -0.23 -3.68 118.95 122.55 3jtr s ARG 140 Ca -0.00 -1.28 -0.08 0.00 -0.13 0.00 0.00 55.73 54.24 3jtr s ARG 140 Cb -0.13 -2.93 -0.03 0.00 -1.56 0.00 0.00 34.95 30.29 3jtr s ARG 140 CO 0.02 -0.55 0.08 0.08 -0.81 0.00 0.00 175.30 174.11 3jtr s VAL 141 N 1.16 4.52 0.72 7.11 1.01 -1.26 -1.09 120.40 132.56 3jtr s VAL 141 Ca -0.07 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 3jtr s VAL 141 Cb -0.19 -3.09 0.03 0.00 0.00 0.00 0.00 36.38 33.13 3jtr s VAL 141 CO -0.05 0.37 1.19 0.00 0.00 0.00 0.00 175.10 176.61 3jtr s ALA 142 N 1.25 2.19 -1.19 5.51 0.00 0.77 -4.09 121.76 126.20 3jtr s ALA 142 Ca 0.05 0.81 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3jtr s ALA 142 Cb -0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.54 3jtr s ALA 142 CO 0.04 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 174.45 3jtr n GLY 143 N 0.22 0.53 0.05 0.00 0.00 -1.26 -4.87 105.19 99.86 3jtr n GLY 143 Ca 0.13 -0.40 0.07 0.00 0.00 0.00 0.00 46.02 45.82 3jtr n GLY 143 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jtr n LEU 144 N -1.63 0.22 -1.57 0.99 4.77 -1.26 -2.25 117.00 116.27 3jtr n LEU 144 Ca -0.14 0.58 0.07 0.00 -0.03 0.00 0.00 56.01 56.49 3jtr n LEU 144 Cb 0.52 -0.57 0.35 0.00 -2.33 0.00 0.00 43.42 41.39 3jtr n LEU 144 CO 0.18 -0.50 0.83 -0.90 -1.33 0.00 0.00 177.39 175.67 3jtr n ASP 145 N -1.77 5.08 -4.17 -1.43 5.75 -1.26 -4.79 116.55 113.96 3jtr n ASP 145 Ca 0.01 -2.99 -0.40 0.00 -0.01 0.00 0.00 54.79 51.41 3jtr n ASP 145 Cb 0.11 -0.64 -0.07 0.00 -1.03 0.00 0.00 41.12 39.48 3jtr n ASP 145 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3jtr s ARG 146 N -2.81 2.93 0.00 0.11 1.81 -0.96 -4.93 118.95 115.10 3jtr s ARG 146 Ca 0.51 -2.57 0.28 0.00 -1.72 0.00 0.00 55.73 52.23 3jtr s ARG 146 Cb 0.40 -3.96 1.02 0.00 -0.45 0.00 0.00 34.95 31.96 3jtr s ARG 146 CO 0.13 -1.21 1.74 -0.35 -0.68 0.00 0.00 175.30 174.93 3jtr n PRO 147 N 3.54 0.40 -1.20 3.54 -0.04 -1.26 -4.30 135.00 135.68 3jtr n PRO 147 Ca 0.11 -0.15 -0.23 0.00 -0.04 0.00 0.00 63.50 63.18 3jtr n PRO 147 Cb 0.40 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.54 3jtr n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3jtr n GLY 148 N 1.38 4.44 0.38 0.55 0.00 -1.26 -4.66 105.19 106.02 3jtr n GLY 148 Ca 0.11 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.91 3jtr n GLY 148 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3jtr h MET 149 N 0.99 -0.70 -0.07 1.61 4.05 -1.75 0.23 114.93 119.30 3jtr h MET 149 Ca 0.62 0.05 0.03 0.00 -0.28 0.00 0.00 59.70 60.12 3jtr h MET 149 Cb 2.83 0.16 -0.04 0.00 -0.80 0.00 0.00 31.60 33.75 3jtr h MET 149 CO 1.08 -0.46 -0.18 -0.07 0.23 0.00 0.00 176.91 177.51 3jtr h LEU 150 N -0.72 -0.53 -1.37 3.39 3.38 -1.89 -2.32 115.31 115.25 3jtr h LEU 150 Ca -0.02 0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3jtr h LEU 150 Cb 0.67 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3jtr h LEU 150 CO -0.09 -0.23 -0.12 -0.08 0.09 0.00 0.00 178.44 178.01 3jtr h GLU 151 N -0.25 0.28 0.10 1.13 4.81 -1.88 -1.31 114.58 117.45 3jtr h GLU 151 Ca 0.08 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3jtr h GLU 151 Cb 0.36 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 3jtr h GLU 151 CO -0.21 0.41 -0.05 0.37 -0.73 0.00 0.00 179.01 178.79 3jtr h GLN 152 N 0.26 -0.14 -0.63 1.92 4.15 -0.58 0.13 115.11 120.23 3jtr h GLN 152 Ca 0.05 0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.52 3jtr h GLN 152 Cb 0.38 0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 3jtr h GLN 152 CO 0.02 -0.09 0.37 1.88 -1.93 0.00 0.00 178.83 179.08 3jtr h TYR 153 N -0.15 0.69 -0.91 3.99 -1.99 -1.09 0.12 116.97 117.64 3jtr h TYR 153 Ca -0.01 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.76 3jtr h TYR 153 Cb 0.12 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.58 3jtr h TYR 153 CO -0.08 0.37 0.60 0.35 -0.00 0.00 0.00 178.16 179.41 3jtr h PHE 154 N 0.71 1.14 0.04 4.88 3.57 -0.98 -0.77 116.94 125.53 3jtr h PHE 154 Ca 0.26 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.56 3jtr h PHE 154 Cb 0.08 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.44 3jtr h PHE 154 CO -0.06 0.70 -1.01 -0.44 -2.23 0.00 0.00 178.31 175.27 3jtr h ASP 155 N 1.21 0.45 -0.05 0.41 3.32 -0.16 -2.68 116.42 118.93 3jtr h ASP 155 Ca 0.34 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3jtr h ASP 155 Cb -0.10 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3jtr h ASP 155 CO -0.08 1.22 0.02 0.24 -1.72 0.00 0.00 179.24 178.92 3jtr h MET 156 N 0.17 0.05 0.00 3.56 2.86 -0.52 -0.93 114.93 120.12 3jtr h MET 156 Ca -0.09 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.55 3jtr h MET 156 Cb 1.67 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.32 3jtr h MET 156 CO 0.17 0.03 0.00 0.44 1.06 0.00 0.00 176.91 178.61 3jtr n ILE 157 N -5.07 0.57 0.04 -1.22 -5.35 -0.32 -2.59 119.36 105.42 3jtr n ILE 157 Ca -0.06 -0.13 0.05 0.00 -0.27 0.00 0.00 62.75 62.34 3jtr n ILE 157 Cb 0.04 -0.70 0.10 0.00 -1.74 0.00 0.00 39.64 37.34 3jtr n ILE 157 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3jtr n THR 158 N -2.12 0.66 -1.48 7.28 -2.24 -1.01 -4.90 114.28 110.47 3jtr n THR 158 Ca 0.05 -0.83 -0.54 0.00 -2.27 0.00 0.00 64.05 60.46 3jtr n THR 158 Cb 0.37 0.74 -0.06 0.00 -2.10 0.00 0.00 70.33 69.28 3jtr n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jtr n ALA 159 N 0.45 -3.06 1.09 6.98 0.00 -0.36 -4.91 120.51 120.70 3jtr n ALA 159 Ca 0.09 0.53 0.13 0.00 0.00 0.00 0.00 53.44 54.18 3jtr n ALA 159 Cb 0.35 -1.74 0.33 0.00 0.00 0.00 0.00 19.45 18.39 3jtr n ALA 159 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3jtr n ASP 160 N 1.74 0.60 -3.50 0.00 8.00 -1.26 -4.91 116.55 117.22 3jtr n ASP 160 Ca 0.19 -0.38 -0.10 0.00 0.71 0.00 0.00 54.79 55.21 3jtr n ASP 160 Cb 0.16 0.15 -0.02 0.00 -0.02 0.00 0.00 41.12 41.39 3jtr n ASP 160 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3jtr s SER 161 N -2.84 -0.45 0.23 -2.24 1.04 -1.26 -5.01 113.70 103.16 3jtr s SER 161 Ca 0.16 -0.06 -0.07 0.00 0.48 0.00 0.00 55.95 56.45 3jtr s SER 161 Cb 0.18 0.52 0.29 0.00 0.10 0.00 0.00 66.02 67.12 3jtr s SER 161 CO 0.63 -0.86 1.82 0.15 0.98 0.00 0.00 173.24 175.96 3jtr h PHE 162 N 2.00 0.81 -0.78 5.02 3.57 -1.99 -1.17 116.94 124.40 3jtr h PHE 162 Ca -0.28 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.33 3jtr h PHE 162 Cb 1.28 -0.25 -0.07 0.00 2.79 0.00 0.00 35.95 39.69 3jtr h PHE 162 CO 0.26 0.39 0.43 -0.44 -2.23 0.00 0.00 178.31 176.72 3jtr h ASP 163 N 0.80 0.61 -0.20 0.41 3.32 -1.98 0.49 116.42 119.87 3jtr h ASP 163 Ca 0.34 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.41 3jtr h ASP 163 Cb 0.21 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3jtr h ASP 163 CO -0.19 0.36 0.00 0.44 -1.72 0.00 0.00 179.24 178.13 3jtr h ASP 164 N 0.74 0.34 -0.33 6.45 3.32 -1.77 -0.31 116.42 124.86 3jtr h ASP 164 Ca 0.37 -0.30 0.07 0.00 0.02 0.00 0.00 57.03 57.19 3jtr h ASP 164 Cb 0.34 -0.09 -0.07 0.00 0.22 0.00 0.00 39.33 39.72 3jtr h ASP 164 CO -0.24 0.56 -0.16 0.22 -1.72 0.00 0.00 179.24 177.90 3jtr h TYR 165 N 0.11 -0.39 -0.89 4.55 3.20 -0.61 -0.83 116.97 122.11 3jtr h TYR 165 Ca 0.06 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3jtr h TYR 165 Cb 0.38 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.83 3jtr h TYR 165 CO 0.03 -0.23 0.48 0.93 -1.64 0.00 0.00 178.16 177.73 3jtr h GLU 166 N -0.10 1.25 -0.67 1.82 5.08 0.16 0.67 114.58 122.78 3jtr h GLU 166 Ca 0.17 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 3jtr h GLU 166 Cb 0.36 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 3jtr h GLU 166 CO -0.40 0.92 0.33 0.00 -1.00 0.00 0.00 179.01 178.86 3jtr h ALA 167 N 1.27 1.31 -0.14 3.43 0.00 -0.66 -0.64 119.26 123.84 3jtr h ALA 167 Ca 0.31 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3jtr h ALA 167 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3jtr h ALA 167 CO -0.05 0.54 -0.26 0.00 0.00 0.00 0.00 179.25 179.48 3jtr h ALA 168 N 1.41 0.22 -0.35 0.00 0.00 -0.30 -3.00 119.26 117.25 3jtr h ALA 168 Ca 0.23 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.79 3jtr h ALA 168 Cb 0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3jtr h ALA 168 CO -0.03 0.21 0.24 1.25 0.00 0.00 0.00 179.25 180.91 3jtr h LEU 169 N 0.03 0.26 -0.48 0.00 5.85 -0.69 -2.75 115.31 117.54 3jtr h LEU 169 Ca 0.01 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3jtr h LEU 169 Cb 0.84 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.81 3jtr h LEU 169 CO 0.06 0.18 0.00 0.00 -0.34 0.00 0.00 178.44 178.34 3jtr n ALA 170 N -2.52 1.88 0.10 1.25 0.00 -0.26 -2.92 120.51 118.04 3jtr n ALA 170 Ca 0.04 0.05 0.02 0.00 0.00 0.00 0.00 53.44 53.54 3jtr n ALA 170 Cb 0.20 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.30 3jtr n ALA 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jtr n ARG 171 N -2.28 0.00 -4.00 0.00 1.74 -1.04 -4.64 116.66 106.44 3jtr n ARG 171 Ca 0.03 0.45 -0.31 0.00 -0.77 0.00 0.00 57.85 57.26 3jtr n ARG 171 Cb 0.30 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 3jtr n ARG 171 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3jtr n MET 172 N -1.51 -4.37 0.02 5.56 2.81 -1.15 -4.90 117.12 113.58 3jtr n MET 172 Ca 0.01 0.50 0.11 0.00 -1.81 0.00 0.00 57.70 56.51 3jtr n MET 172 Cb 0.04 -5.19 -0.01 0.00 -0.71 0.00 0.00 33.22 27.34 3jtr n MET 172 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3jtr n GLN 173 N -4.51 0.29 -3.36 0.03 1.13 -1.26 -4.81 117.38 104.89 3jtr n GLN 173 Ca -0.03 -0.02 -0.43 0.00 -1.94 0.00 0.00 57.00 54.57 3jtr n GLN 173 Cb 0.55 -1.57 -0.09 0.00 0.11 0.00 0.00 30.24 29.24 3jtr n GLN 173 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3jtr s VAL 174 N -3.20 5.15 -2.00 5.09 1.01 -1.26 -3.81 120.40 121.37 3jtr s VAL 174 Ca 0.03 -0.63 0.16 0.00 0.00 0.00 0.00 61.98 61.55 3jtr s VAL 174 Cb 0.15 -4.06 0.46 0.00 0.00 0.00 0.00 36.38 32.93 3jtr s VAL 174 CO 0.82 -0.47 1.55 -0.81 0.00 0.00 0.00 175.10 176.19 3jtr n PRO 175 N 5.44 0.90 -3.85 2.72 -0.04 -1.26 -3.76 135.00 135.15 3jtr n PRO 175 Ca -0.09 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.32 3jtr n PRO 175 Cb 0.46 -1.28 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 3jtr n PRO 175 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3jtr n THR 176 N -0.78 0.00 0.00 0.52 5.66 -1.26 -1.95 114.28 116.46 3jtr n THR 176 Ca 0.12 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 3jtr n THR 176 Cb 0.06 0.84 0.00 0.00 -1.55 0.00 0.00 70.33 69.68 3jtr n THR 176 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 3jtr n PHE 177 N -0.67 0.00 -2.54 1.09 3.01 -1.24 -4.36 117.46 112.75 3jtr n PHE 177 Ca -0.04 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.01 3jtr n PHE 177 Cb 0.59 -0.41 -0.04 0.00 -0.01 0.00 0.00 39.48 39.61 3jtr n PHE 177 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3jtr s ASN 178 N -0.88 7.29 -0.05 4.37 0.01 0.10 -1.67 114.94 124.10 3jtr s ASN 178 Ca 0.00 2.05 0.02 0.00 -0.71 0.00 0.00 52.86 54.22 3jtr s ASN 178 Cb 0.00 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.07 3jtr s ASN 178 CO 0.00 -0.21 -0.10 -0.63 -1.51 0.00 0.00 177.10 174.65 3jtr s ILE 179 N -0.16 0.95 0.02 0.60 1.01 0.15 -1.22 121.20 122.57 3jtr s ILE 179 Ca 0.49 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.84 3jtr s ILE 179 Cb -0.29 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 3jtr s ILE 179 CO 0.34 0.31 -0.23 -0.69 0.00 0.00 0.00 174.94 174.67 3jtr s VAL 180 N 0.64 1.83 0.02 2.92 1.01 -0.51 -0.93 120.40 125.39 3jtr s VAL 180 Ca -0.12 -1.17 0.02 0.00 0.00 0.00 0.00 61.98 60.71 3jtr s VAL 180 Cb -0.14 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.66 3jtr s VAL 180 CO 0.02 0.35 -0.07 -0.47 0.00 0.00 0.00 175.10 174.93 3jtr s TYR 181 N -0.71 0.65 0.04 5.22 5.04 -0.05 -1.29 117.35 126.25 3jtr s TYR 181 Ca 0.09 -0.27 -0.08 0.00 -2.44 0.00 0.00 57.07 54.37 3jtr s TYR 181 Cb -0.09 -0.40 -0.00 0.00 0.35 0.00 0.00 41.96 41.81 3jtr s TYR 181 CO 0.01 -0.03 0.15 0.00 -1.34 0.00 0.00 175.55 174.34 3jtr s ALA 182 N -0.66 -0.25 0.22 3.97 0.00 -0.78 -0.76 121.76 123.50 3jtr s ALA 182 Ca -0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 3jtr s ALA 182 Cb -0.06 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 3jtr s ALA 182 CO 0.00 -0.33 0.35 0.16 0.00 0.00 0.00 175.76 175.94 3jtr s ASP 183 N -2.04 -0.00 0.45 0.00 1.47 -0.51 -1.60 116.67 114.43 3jtr s ASP 183 Ca -0.06 -1.07 0.30 0.00 1.18 0.00 0.00 52.55 52.90 3jtr s ASP 183 Cb -0.02 0.51 1.28 0.00 -0.34 0.00 0.00 42.92 44.35 3jtr s ASP 183 CO -0.04 -1.02 1.90 0.08 0.68 0.00 0.00 175.17 176.77 3jtr h ARG 184 N 2.40 0.00 0.00 2.11 0.11 -0.86 -2.05 114.38 116.09 3jtr h ARG 184 Ca -0.30 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.71 3jtr h ARG 184 Cb 1.25 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.32 3jtr h ARG 184 CO 0.42 0.00 -0.33 0.93 0.10 0.00 0.00 179.97 181.09 3jtr h GLU 185 N 0.00 0.00 0.00 0.08 3.07 -1.91 -3.47 114.58 112.34 3jtr h GLU 185 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3jtr h GLU 185 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 3jtr h GLU 185 CO 0.00 0.33 0.00 0.41 -1.40 0.00 0.00 179.01 178.35 3jtr n GLY 186 N 0.70 1.51 3.80 -3.84 0.00 -0.77 -5.10 105.19 101.50 3jtr n GLY 186 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3jtr n GLY 186 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jtr s THR 187 N -2.00 5.27 0.04 2.61 2.01 -1.26 -4.56 115.64 117.76 3jtr s THR 187 Ca 0.00 0.55 0.06 0.00 0.31 0.00 0.00 61.69 62.61 3jtr s THR 187 Cb 0.00 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.89 3jtr s THR 187 CO 0.00 0.51 -0.17 0.27 -0.69 0.00 0.00 174.62 174.54 3jtr s ILE 188 N -0.41 1.33 -0.12 1.82 -4.36 -1.26 -1.43 121.20 116.77 3jtr s ILE 188 Ca 0.18 -1.08 -0.11 0.00 -0.26 0.00 0.00 60.65 59.38 3jtr s ILE 188 Cb -0.14 -1.18 0.03 0.00 1.25 0.00 0.00 42.46 42.43 3jtr s ILE 188 CO 0.07 0.08 0.33 0.21 0.24 0.00 0.00 174.94 175.86 3jtr s ASN 189 N -1.16 -0.34 -0.07 4.36 3.84 0.06 -1.57 114.94 120.06 3jtr s ASN 189 Ca 0.04 0.66 0.04 0.00 0.21 0.00 0.00 52.86 53.81 3jtr s ASN 189 Cb -0.08 0.66 -0.02 0.00 -0.55 0.00 0.00 41.25 41.26 3jtr s ASN 189 CO 0.01 -0.12 -0.18 -0.47 -2.79 0.00 0.00 177.10 173.56 3jtr s TYR 190 N 0.29 2.63 -0.03 0.43 5.04 0.57 -0.87 117.35 125.42 3jtr s TYR 190 Ca -0.01 -0.43 0.01 0.00 -2.44 0.00 0.00 57.07 54.19 3jtr s TYR 190 Cb -0.03 -1.66 0.02 0.00 0.35 0.00 0.00 41.96 40.64 3jtr s TYR 190 CO -0.01 -0.02 -0.01 -1.12 -1.34 0.00 0.00 175.55 173.05 3jtr s SER 191 N -0.33 0.47 -1.07 4.32 0.01 -0.10 -0.20 113.70 116.81 3jtr s SER 191 Ca 0.02 -0.05 -0.17 0.00 1.31 0.00 0.00 55.95 57.07 3jtr s SER 191 Cb -0.13 -0.22 0.13 0.00 0.21 0.00 0.00 66.02 66.02 3jtr s SER 191 CO 0.02 -0.07 1.31 0.12 0.41 0.00 0.00 173.24 175.04 3jtr s PHE 192 N 0.80 3.18 0.61 2.43 5.36 -0.37 -0.67 117.98 129.32 3jtr s PHE 192 Ca -0.08 -1.63 -0.05 0.00 -0.96 0.00 0.00 56.93 54.21 3jtr s PHE 192 Cb -0.12 -4.37 0.03 0.00 -0.34 0.00 0.00 43.02 38.22 3jtr s PHE 192 CO -0.01 -1.52 0.90 1.21 -1.46 0.00 0.00 175.22 174.34 3jtr s ASN 193 N 3.51 5.34 0.00 6.13 2.47 -0.67 -4.51 114.94 127.20 3jtr s ASN 193 Ca 0.39 0.52 0.00 0.00 0.42 0.00 0.00 52.86 54.19 3jtr s ASN 193 Cb -0.03 -1.42 0.00 0.00 -1.45 0.00 0.00 41.25 38.35 3jtr s ASN 193 CO -0.05 -1.20 0.00 0.61 -3.72 0.00 0.00 177.10 172.74 3jtr n GLY 194 N -2.62 1.49 3.30 1.21 0.00 -1.25 -3.58 105.19 103.74 3jtr n GLY 194 Ca 0.06 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 3jtr n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jtr s VAL 195 N -1.39 4.14 -0.29 1.61 1.01 -0.82 -4.79 120.40 119.87 3jtr s VAL 195 Ca 0.00 -1.16 -0.05 0.00 0.00 0.00 0.00 61.98 60.77 3jtr s VAL 195 Cb 0.00 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.99 3jtr s VAL 195 CO 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 175.10 174.82 3jtr s ALA 196 N 1.45 2.93 0.25 5.51 0.00 -1.26 -4.46 121.76 126.17 3jtr s ALA 196 Ca 0.01 -1.51 -0.31 0.00 0.00 0.00 0.00 51.96 50.15 3jtr s ALA 196 Cb -0.21 -2.00 -0.14 0.00 0.00 0.00 0.00 23.12 20.77 3jtr s ALA 196 CO 0.04 -0.97 1.31 -2.30 0.00 0.00 0.00 175.76 173.84 3jtr n PRO 197 N 4.78 1.84 -2.37 0.00 -0.02 -1.26 -1.03 135.00 136.94 3jtr n PRO 197 Ca -0.15 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 3jtr n PRO 197 Cb 0.47 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 3jtr n PRO 197 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3jtr s LYS 198 N -0.75 4.34 0.04 -0.52 1.02 0.18 -4.81 119.74 119.24 3jtr s LYS 198 Ca 0.66 1.79 0.05 0.00 0.02 0.00 0.00 55.97 58.50 3jtr s LYS 198 Cb -0.67 -3.52 -0.02 0.00 -0.52 0.00 0.00 37.83 33.10 3jtr s LYS 198 CO 0.53 -0.46 -0.15 1.03 -0.92 0.00 0.00 175.35 175.38 3jtr s ARG 199 N 2.05 1.03 0.12 1.68 0.52 -1.26 -4.61 118.95 118.49 3jtr s ARG 199 Ca 0.59 -0.79 0.24 0.00 -0.52 0.00 0.00 55.73 55.25 3jtr s ARG 199 Cb -0.28 -1.07 0.34 0.00 0.52 0.00 0.00 34.95 34.47 3jtr s ARG 199 CO 0.25 0.27 1.32 0.00 0.02 0.00 0.00 175.30 177.16 3jtr h ALA 200 N 4.94 0.59 -2.80 2.13 0.00 -1.96 -3.48 119.26 118.67 3jtr h ALA 200 Ca -0.39 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.56 3jtr h ALA 200 Cb 1.18 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.86 3jtr h ALA 200 CO 0.44 0.00 0.29 -1.83 0.00 0.00 0.00 179.25 178.15 3jtr s GLU 201 N -3.17 1.29 0.00 0.00 -1.05 -1.26 -5.16 118.70 109.35 3jtr s GLU 201 Ca 0.06 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 3jtr s GLU 201 Cb 0.13 0.54 0.00 0.00 -0.44 0.00 0.00 34.13 34.36 3jtr s GLU 201 CO 0.72 -0.57 0.00 0.41 0.95 0.00 0.00 175.26 176.77 3jtr n GLY 202 N -0.38 1.39 2.37 -3.83 0.00 -1.26 -5.03 105.19 98.45 3jtr n GLY 202 Ca -0.12 -1.56 -0.15 0.00 0.00 0.00 0.00 46.02 44.19 3jtr n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3jtr n ASP 203 N -0.17 0.73 -0.20 1.61 3.85 -1.26 -4.37 116.55 116.74 3jtr n ASP 203 Ca 0.00 -1.65 -0.07 0.00 -0.71 0.00 0.00 54.79 52.36 3jtr n ASP 203 Cb 0.00 -0.42 0.03 0.00 -1.35 0.00 0.00 41.12 39.38 3jtr n ASP 203 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 3jtr h ILE 204 N -0.63 1.20 -0.94 2.12 2.10 -1.76 -1.95 117.51 117.64 3jtr h ILE 204 Ca -0.21 -0.52 0.00 0.00 1.08 0.00 0.00 64.86 65.22 3jtr h ILE 204 Cb 0.74 0.50 -0.05 0.00 -1.09 0.00 0.00 36.82 36.92 3jtr h ILE 204 CO 0.21 0.21 0.60 0.00 -1.08 0.00 0.00 178.15 178.10 3jtr h ALA 205 N 1.13 1.30 -0.49 0.18 0.00 -1.94 0.36 119.26 119.79 3jtr h ALA 205 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3jtr h ALA 205 Cb 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3jtr h ALA 205 CO -0.03 0.64 0.24 0.35 0.00 0.00 0.00 179.25 180.44 3jtr h PHE 206 N 1.28 0.71 0.00 0.00 3.57 -1.86 -2.16 116.94 118.48 3jtr h PHE 206 Ca 0.34 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.73 3jtr h PHE 206 Cb -0.12 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.39 3jtr h PHE 206 CO 0.00 0.56 -0.36 -1.49 -2.23 0.00 0.00 178.31 174.79 3jtr h TRP 207 N 0.65 0.00 0.00 0.41 4.06 -0.40 -2.96 115.95 117.71 3jtr h TRP 207 Ca 0.17 0.00 -0.10 0.00 2.06 0.00 0.00 58.89 61.02 3jtr h TRP 207 Cb 0.12 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.26 3jtr h TRP 207 CO -0.01 0.36 -0.49 1.96 -3.56 0.00 0.00 178.44 176.70 3jtr h GLN 208 N 0.00 0.00 0.00 0.49 4.20 -0.25 -3.43 115.11 116.12 3jtr h GLN 208 Ca -0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3jtr h GLN 208 Cb 0.93 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.73 3jtr h GLN 208 CO 0.05 0.49 0.02 0.41 -0.67 0.00 0.00 178.83 179.13 3jtr n GLY 209 N 0.71 -1.47 3.58 3.46 0.00 -0.82 -4.92 105.19 105.73 3jtr n GLY 209 Ca 0.01 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 43.98 3jtr n GLY 209 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jtr s LEU 210 N 0.00 3.65 0.24 0.99 1.43 -1.26 -4.53 118.68 119.20 3jtr s LEU 210 Ca 0.05 0.23 -0.30 0.00 -1.03 0.00 0.00 54.13 53.08 3jtr s LEU 210 Cb -0.00 -3.31 -0.09 0.00 0.03 0.00 0.00 46.19 42.82 3jtr s LEU 210 CO 0.04 -1.31 1.10 -0.69 0.23 0.00 0.00 176.35 175.72 3jtr s VAL 211 N 4.51 3.64 0.26 -1.59 1.01 -0.26 -4.74 120.40 123.22 3jtr s VAL 211 Ca 0.43 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.66 3jtr s VAL 211 Cb -0.08 -3.99 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 3jtr s VAL 211 CO 0.28 0.33 1.58 -2.84 0.00 0.00 0.00 175.10 174.44 3jtr s PRO 212 N -0.98 4.16 -0.48 2.72 0.02 -1.26 -1.08 135.00 138.10 3jtr s PRO 212 Ca 0.47 2.51 0.03 0.00 0.02 0.00 0.00 61.00 64.03 3jtr s PRO 212 Cb -0.31 -3.06 0.52 0.00 0.02 0.00 0.00 34.50 31.68 3jtr s PRO 212 CO 0.38 -0.60 1.76 0.41 -0.33 0.00 0.00 177.00 178.62 3jtr n GLY 213 N 2.53 5.40 0.15 0.52 0.00 0.24 -4.49 105.19 109.54 3jtr n GLY 213 Ca 0.09 -1.82 0.09 0.00 0.00 0.00 0.00 46.02 44.38 3jtr n GLY 213 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3jtr n ASP 214 N -0.99 2.11 -3.64 1.61 3.85 -1.26 -4.67 116.55 113.56 3jtr n ASP 214 Ca 0.53 -3.05 -0.07 0.00 -0.71 0.00 0.00 54.79 51.49 3jtr n ASP 214 Cb 1.05 -0.42 -0.07 0.00 -1.35 0.00 0.00 41.12 40.34 3jtr n ASP 214 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3jtr s SER 215 N -2.75 -0.75 0.34 -1.12 0.15 -1.26 -1.54 113.70 106.77 3jtr s SER 215 Ca 0.30 1.26 0.24 0.00 0.70 0.00 0.00 55.95 58.45 3jtr s SER 215 Cb 0.26 1.30 1.23 0.00 -1.71 0.00 0.00 66.02 67.11 3jtr s SER 215 CO 0.02 -0.20 1.72 0.77 1.20 0.00 0.00 173.24 176.75 3jtr h SER 216 N 6.11 0.00 -0.46 5.45 4.64 -1.95 -2.92 113.55 124.42 3jtr h SER 216 Ca -0.29 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.11 3jtr h SER 216 Cb 1.20 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 3jtr h SER 216 CO 0.14 0.00 0.31 -0.09 -0.87 0.00 0.00 176.83 176.33 3jtr h ARG 217 N 0.00 0.27 -0.02 4.77 2.43 -1.97 -2.64 114.38 117.22 3jtr h ARG 217 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3jtr h ARG 217 Cb 0.07 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3jtr h ARG 217 CO 0.00 0.18 -0.09 0.66 -1.51 0.00 0.00 179.97 179.21 3jtr n TYR 218 N -4.47 0.00 -2.58 2.20 4.02 -1.10 -4.87 117.16 110.37 3jtr n TYR 218 Ca 0.07 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.55 3jtr n TYR 218 Cb 0.33 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.62 3jtr n TYR 218 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3jtr s LEU 219 N -1.81 3.53 0.76 7.72 2.96 -1.00 -5.01 118.68 125.84 3jtr s LEU 219 Ca 0.22 -1.35 -0.11 0.00 -0.22 0.00 0.00 54.13 52.67 3jtr s LEU 219 Cb 0.17 -2.56 0.05 0.00 0.50 0.00 0.00 46.19 44.34 3jtr s LEU 219 CO 0.30 -1.53 1.08 -1.66 -1.32 0.00 0.00 176.35 173.23 3jtr s TRP 220 N 4.97 2.69 0.00 5.38 1.48 -1.26 -4.98 118.94 127.22 3jtr s TRP 220 Ca 0.44 1.50 0.00 0.00 -1.06 0.00 0.00 56.10 56.98 3jtr s TRP 220 Cb -0.01 -3.02 0.00 0.00 -1.16 0.00 0.00 33.47 29.28 3jtr s TRP 220 CO -0.07 -1.70 0.00 0.25 -4.06 0.00 0.00 176.95 171.37 3jtr n THR 221 N -3.45 0.00 -4.29 0.66 -2.24 -1.26 -5.09 114.28 98.61 3jtr n THR 221 Ca 0.09 -0.01 -0.16 0.00 -2.27 0.00 0.00 64.05 61.70 3jtr n THR 221 Cb 0.53 0.86 -0.10 0.00 -2.10 0.00 0.00 70.33 69.53 3jtr n THR 221 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3jtr s GLU 222 N -0.01 1.18 0.23 -0.78 2.02 -1.26 -5.04 118.70 115.03 3jtr s GLU 222 Ca 0.00 -1.51 0.09 0.00 0.02 0.00 0.00 54.97 53.57 3jtr s GLU 222 Cb 0.00 -0.86 -0.05 0.00 0.10 0.00 0.00 34.13 33.32 3jtr s GLU 222 CO 0.00 0.13 -0.15 0.95 0.02 0.00 0.00 175.26 176.21 3jtr s THR 223 N -3.13 1.92 0.13 3.63 -4.23 -1.26 0.49 115.64 113.20 3jtr s THR 223 Ca 0.19 -2.26 -0.30 0.00 -1.18 0.00 0.00 61.69 58.14 3jtr s THR 223 Cb 0.01 -2.14 -0.06 0.00 1.34 0.00 0.00 72.50 71.65 3jtr s THR 223 CO 0.03 -0.53 0.98 -1.00 -0.54 0.00 0.00 174.62 173.57 3jtr s HIS 224 N -2.86 3.80 0.89 3.99 3.76 -0.19 -4.77 115.29 119.91 3jtr s HIS 224 Ca 0.25 1.78 -0.12 0.00 -0.15 0.00 0.00 55.06 56.83 3jtr s HIS 224 Cb -0.01 -3.08 0.12 0.00 1.11 0.00 0.00 32.58 30.72 3jtr s HIS 224 CO 0.09 0.12 1.09 -1.25 -0.85 0.00 0.00 174.74 173.94 3jtr s PRO 225 N -0.16 1.33 0.44 8.40 0.04 -1.26 -4.69 135.00 139.10 3jtr s PRO 225 Ca 0.47 0.76 0.16 0.00 0.04 0.00 0.00 61.00 62.42 3jtr s PRO 225 Cb -0.24 -1.82 1.07 0.00 0.04 0.00 0.00 34.50 33.55 3jtr s PRO 225 CO 0.31 -2.18 1.94 1.25 0.04 0.00 0.00 177.00 178.37 3jtr h LEU 226 N -1.50 0.35 -0.89 -3.56 5.85 -1.93 -1.87 115.31 111.77 3jtr h LEU 226 Ca -0.49 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3jtr h LEU 226 Cb 1.29 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.26 3jtr h LEU 226 CO 0.56 0.19 0.00 -0.90 -0.34 0.00 0.00 178.44 177.95 3jtr n ASP 227 N -4.47 1.31 -0.01 1.25 3.85 -1.26 -1.99 116.55 115.23 3jtr n ASP 227 Ca 0.13 -1.84 0.13 0.00 -0.71 0.00 0.00 54.79 52.50 3jtr n ASP 227 Cb 0.49 -0.13 0.35 0.00 -1.35 0.00 0.00 41.12 40.47 3jtr n ASP 227 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3jtr n ASP 228 N 0.16 0.41 -4.89 -1.12 8.00 -0.70 -4.97 116.55 113.43 3jtr n ASP 228 Ca 0.12 -0.11 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 3jtr n ASP 228 Cb 0.24 0.07 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 3jtr n ASP 228 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3jtr s LEU 229 N -2.97 4.24 -0.06 0.64 1.43 -0.84 -4.88 118.68 116.24 3jtr s LEU 229 Ca 0.13 0.22 -0.35 0.00 -1.03 0.00 0.00 54.13 53.09 3jtr s LEU 229 Cb 0.18 -2.83 -0.13 0.00 0.03 0.00 0.00 46.19 43.44 3jtr s LEU 229 CO 0.65 0.18 1.78 -2.65 0.23 0.00 0.00 176.35 176.54 3jtr n PRO 230 N 0.39 1.98 -3.96 1.29 -0.02 -1.26 -4.86 135.00 128.56 3jtr n PRO 230 Ca -0.06 0.72 -0.09 0.00 -2.02 0.00 0.00 63.50 62.05 3jtr n PRO 230 Cb 0.51 -2.52 -0.10 0.00 -0.02 0.00 0.00 33.50 31.37 3jtr n PRO 230 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 3jtr s ARG 231 N 3.27 0.46 -0.04 -0.52 0.52 -1.26 -1.23 118.95 120.15 3jtr s ARG 231 Ca 0.91 -0.68 -0.02 0.00 -0.52 0.00 0.00 55.73 55.42 3jtr s ARG 231 Cb -0.76 0.17 0.03 0.00 0.52 0.00 0.00 34.95 34.91 3jtr s ARG 231 CO 0.51 -0.10 0.09 0.08 0.02 0.00 0.00 175.30 175.90 3jtr s VAL 232 N -2.07 -0.04 -0.05 3.52 1.01 0.73 -4.98 120.40 118.52 3jtr s VAL 232 Ca -0.10 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.02 3jtr s VAL 232 Cb -0.05 -0.15 0.02 0.00 0.00 0.00 0.00 36.38 36.21 3jtr s VAL 232 CO -0.03 0.05 -0.04 -0.89 0.00 0.00 0.00 175.10 174.20 3jtr s THR 233 N 0.76 0.54 -0.71 3.92 2.01 -1.26 -0.32 115.64 120.58 3jtr s THR 233 Ca -0.06 -0.10 -0.05 0.00 0.31 0.00 0.00 61.69 61.79 3jtr s THR 233 Cb -0.08 -0.58 0.01 0.00 0.01 0.00 0.00 72.50 71.85 3jtr s THR 233 CO -0.03 0.24 0.48 0.59 -0.69 0.00 0.00 174.62 175.21 3jtr n ASN 234 N 4.25 -3.64 -4.83 3.53 3.02 -0.61 -4.89 115.26 112.09 3jtr n ASN 234 Ca -0.22 -0.82 -0.30 0.00 -0.03 0.00 0.00 54.58 53.21 3jtr n ASN 234 Cb 0.51 -1.24 0.06 0.00 -0.61 0.00 0.00 39.78 38.50 3jtr n ASN 234 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3jtr s PRO 235 N -4.84 2.57 0.62 3.52 0.04 -1.26 -4.91 135.00 130.74 3jtr s PRO 235 Ca 0.07 0.66 0.37 0.00 0.04 0.00 0.00 61.00 62.14 3jtr s PRO 235 Cb -0.04 -1.97 2.09 0.00 0.04 0.00 0.00 34.50 34.62 3jtr s PRO 235 CO 0.72 -1.28 2.30 -1.35 0.04 0.00 0.00 177.00 177.43 3jtr h PRO 236 N -0.84 0.00 0.00 0.56 0.11 -1.90 -1.95 132.00 127.98 3jtr h PRO 236 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3jtr h PRO 236 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3jtr h PRO 236 CO 0.60 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.81 3jtr n GLY 237 N -1.18 -1.34 2.23 -0.55 0.00 -1.26 -4.92 105.19 98.18 3jtr n GLY 237 Ca -0.03 0.07 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 3jtr n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jtr n GLY 238 N 0.20 0.86 3.45 -0.02 0.00 -0.73 -4.92 105.19 104.03 3jtr n GLY 238 Ca 0.03 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 3jtr n GLY 238 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3jtr s PHE 239 N -2.19 -0.53 0.05 1.61 -0.71 -1.26 -0.12 117.98 114.83 3jtr s PHE 239 Ca 0.00 0.45 0.06 0.00 -1.04 0.00 0.00 56.93 56.40 3jtr s PHE 239 Cb 0.00 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.32 3jtr s PHE 239 CO 0.00 -0.76 -0.16 0.14 -1.34 0.00 0.00 175.22 173.10 3jtr s VAL 240 N -3.20 1.25 0.04 -2.49 -7.23 0.56 -4.57 120.40 104.75 3jtr s VAL 240 Ca -0.01 -1.16 -0.03 0.00 -1.81 0.00 0.00 61.98 58.98 3jtr s VAL 240 Cb -0.01 -1.14 -0.02 0.00 0.56 0.00 0.00 36.38 35.77 3jtr s VAL 240 CO -0.08 -0.03 0.03 0.00 -0.31 0.00 0.00 175.10 174.70 3jtr s GLN 241 N -1.37 0.53 -0.17 4.82 1.03 0.92 -0.77 119.66 124.65 3jtr s GLN 241 Ca 0.02 -0.85 -0.13 0.00 0.04 0.00 0.00 55.36 54.44 3jtr s GLN 241 Cb -0.09 0.19 0.05 0.00 0.03 0.00 0.00 33.01 33.20 3jtr s GLN 241 CO 0.02 -0.11 0.44 1.21 -2.54 0.00 0.00 175.29 174.30 3jtr s ASN 242 N -2.19 -0.49 -0.28 12.60 3.84 -0.54 -4.43 114.94 123.45 3jtr s ASN 242 Ca -0.04 0.91 0.15 0.00 0.21 0.00 0.00 52.86 54.08 3jtr s ASN 242 Cb -0.01 0.87 0.48 0.00 -0.55 0.00 0.00 41.25 42.04 3jtr s ASN 242 CO -0.05 -0.17 1.15 -1.20 -2.79 0.00 0.00 177.10 174.04 3jtr n SER 243 N 3.39 3.29 0.00 -4.21 7.64 -1.26 -0.93 113.62 121.54 3jtr n SER 243 Ca -0.17 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 56.80 3jtr n SER 243 Cb 0.56 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3jtr n SER 243 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3jtr n ASN 244 N -0.66 0.00 -4.76 6.43 5.03 -1.25 -4.67 115.26 115.38 3jtr n ASN 244 Ca 0.26 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.37 3jtr n ASN 244 Cb 0.89 -0.27 0.04 0.00 -1.02 0.00 0.00 39.78 39.42 3jtr n ASN 244 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 3jtr s ASP 245 N -3.11 5.11 0.49 6.41 -4.77 -1.26 -4.95 116.67 114.59 3jtr s ASP 245 Ca 0.00 2.09 -0.20 0.00 -3.30 0.00 0.00 52.55 51.14 3jtr s ASP 245 Cb 0.00 -2.56 -0.11 0.00 -1.09 0.00 0.00 42.92 39.15 3jtr s ASP 245 CO 0.00 -1.63 0.48 -2.65 0.70 0.00 0.00 175.17 172.06 3jtr n PRO 246 N -2.22 0.51 0.00 2.11 -0.02 -1.26 -4.81 135.00 129.30 3jtr n PRO 246 Ca 0.11 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3jtr n PRO 246 Cb 0.51 -1.54 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3jtr n PRO 246 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3jtr n PRO 247 N 0.44 0.51 0.00 0.52 -0.04 -1.26 -4.11 135.00 131.06 3jtr n PRO 247 Ca 0.11 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.68 3jtr n PRO 247 Cb 0.43 -1.25 0.13 0.00 -0.04 0.00 0.00 33.50 32.77 3jtr n PRO 247 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 3jtr n TRP 248 N 0.35 0.05 -3.06 0.54 5.03 -1.26 -4.17 117.44 114.91 3jtr n TRP 248 Ca 0.00 0.01 -0.22 0.00 3.03 0.00 0.00 57.50 60.32 3jtr n TRP 248 Cb 0.15 -0.22 -0.03 0.00 -1.03 0.00 0.00 31.31 30.18 3jtr n TRP 248 CO 0.00 0.00 0.00 0.25 -0.03 0.00 0.00 177.69 177.91 3jtr n THR 249 N -1.57 1.35 0.78 -0.99 -2.24 -1.26 -4.90 114.28 105.45 3jtr n THR 249 Ca 0.05 -5.03 0.12 0.00 -2.27 0.00 0.00 64.05 56.92 3jtr n THR 249 Cb 0.35 -0.78 0.50 0.00 -2.10 0.00 0.00 70.33 68.30 3jtr n THR 249 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3jtr n PRO 250 N 0.03 0.08 -3.91 -0.78 -0.04 -1.26 -4.81 135.00 124.31 3jtr n PRO 250 Ca 0.28 0.13 -0.08 0.00 -0.04 0.00 0.00 63.50 63.79 3jtr n PRO 250 Cb 0.54 -1.60 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 3jtr n PRO 250 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3jtr s THR 251 N -3.05 0.00 -0.07 0.52 -1.32 -1.26 -0.05 115.64 110.41 3jtr s THR 251 Ca 0.11 -1.15 -0.03 0.00 -1.21 0.00 0.00 61.69 59.42 3jtr s THR 251 Cb 0.15 -2.12 0.04 0.00 -1.51 0.00 0.00 72.50 69.05 3jtr s THR 251 CO 0.49 0.00 0.08 0.86 -2.21 0.00 0.00 174.62 173.83 3jtr s TRP 252 N -3.86 0.05 0.61 9.09 -0.11 -1.26 -3.41 118.94 120.05 3jtr s TRP 252 Ca 0.15 0.21 -0.18 0.00 1.22 0.00 0.00 56.10 57.51 3jtr s TRP 252 Cb -0.04 -0.49 -0.02 0.00 -1.50 0.00 0.00 33.47 31.42 3jtr s TRP 252 CO 0.08 -0.25 1.16 -1.25 -4.62 0.00 0.00 176.95 172.08 3jtr s PRO 253 N 2.18 2.94 0.81 5.86 0.04 -1.26 -4.06 135.00 141.50 3jtr s PRO 253 Ca 0.04 1.66 -0.12 0.00 0.04 0.00 0.00 61.00 62.63 3jtr s PRO 253 Cb -0.13 -1.94 0.08 0.00 0.04 0.00 0.00 34.50 32.55 3jtr s PRO 253 CO -0.04 -1.20 1.17 0.14 0.04 0.00 0.00 177.00 177.11 3jtr s VAL 254 N -1.85 2.37 -0.79 -0.36 -7.23 -1.22 -4.67 120.40 106.64 3jtr s VAL 254 Ca 0.73 0.15 0.06 0.00 -1.81 0.00 0.00 61.98 61.12 3jtr s VAL 254 Cb -0.26 -2.48 0.05 0.00 0.56 0.00 0.00 36.38 34.24 3jtr s VAL 254 CO 0.35 -0.13 0.69 0.35 -0.31 0.00 0.00 175.10 176.05 3jtr n THR 255 N -3.43 0.00 -3.82 5.32 -2.24 -1.26 -5.05 114.28 103.80 3jtr n THR 255 Ca 0.12 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.33 3jtr n THR 255 Cb 0.51 1.13 0.02 0.00 -2.10 0.00 0.00 70.33 69.89 3jtr n THR 255 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 3jtr s TYR 256 N -0.56 0.06 0.11 4.78 -0.85 -1.26 -5.15 117.35 114.49 3jtr s TYR 256 Ca 0.07 -0.67 0.02 0.00 -0.52 0.00 0.00 57.07 55.98 3jtr s TYR 256 Cb 0.05 0.80 -0.04 0.00 0.38 0.00 0.00 41.96 43.15 3jtr s TYR 256 CO 0.08 -1.43 -0.07 0.95 -1.52 0.00 0.00 175.55 173.56 3jtr s THR 257 N -2.55 0.78 0.59 -3.49 -4.23 -1.26 -5.02 115.64 100.46 3jtr s THR 257 Ca 0.15 -1.96 0.29 0.00 -1.18 0.00 0.00 61.69 58.99 3jtr s THR 257 Cb -0.05 -1.73 0.38 0.00 1.34 0.00 0.00 72.50 72.44 3jtr s THR 257 CO 0.10 -0.83 1.91 -0.65 -0.54 0.00 0.00 174.62 174.61 3jtr h PRO 258 N 2.92 0.00 0.00 3.99 0.11 -1.96 -0.47 132.00 136.59 3jtr h PRO 258 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3jtr h PRO 258 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3jtr h PRO 258 CO 0.64 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.79 3jtr n LYS 259 N -3.72 0.25 0.00 1.05 2.85 -1.26 -3.15 118.16 114.18 3jtr n LYS 259 Ca 0.08 0.06 0.15 0.00 -1.05 0.00 0.00 58.31 57.55 3jtr n LYS 259 Cb 0.64 -1.50 0.72 0.00 -0.65 0.00 0.00 35.03 34.24 3jtr n LYS 259 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3jtr n ASP 260 N -1.35 0.29 -4.18 -5.58 8.00 -0.19 -4.89 116.55 108.66 3jtr n ASP 260 Ca 0.10 -0.59 -0.12 0.00 0.71 0.00 0.00 54.79 54.88 3jtr n ASP 260 Cb 0.22 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.10 3jtr n ASP 260 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3jtr s PHE 261 N -2.37 0.98 0.60 1.24 0.40 -1.19 -5.08 117.98 112.56 3jtr s PHE 261 Ca 0.33 -0.79 -0.20 0.00 -0.60 0.00 0.00 56.93 55.68 3jtr s PHE 261 Cb 0.21 -0.54 -0.03 0.00 0.51 0.00 0.00 43.02 43.16 3jtr s PHE 261 CO 0.44 -0.07 1.31 -2.30 0.70 0.00 0.00 175.22 175.31 3jtr n PRO 262 N 0.19 1.38 0.00 0.24 -0.02 -1.26 -4.85 135.00 130.68 3jtr n PRO 262 Ca -0.14 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 61.96 3jtr n PRO 262 Cb 0.60 -2.54 0.43 0.00 -0.02 0.00 0.00 33.50 31.97 3jtr n PRO 262 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3jtr n SER 263 N -1.42 0.00 -0.69 2.55 3.41 -1.26 -3.02 113.62 113.19 3jtr n SER 263 Ca 0.13 0.36 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 3jtr n SER 263 Cb 0.46 -0.44 0.17 0.00 -0.26 0.00 0.00 64.21 64.15 3jtr n SER 263 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jtr n TYR 264 N -1.44 0.00 -0.09 7.33 0.18 -1.26 -2.92 117.16 118.96 3jtr n TYR 264 Ca 0.06 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.72 3jtr n TYR 264 Cb 0.20 -0.01 -0.04 0.00 -0.38 0.00 0.00 39.34 39.11 3jtr n TYR 264 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 3jtr h LEU 265 N 3.38 0.52 -7.03 -3.48 3.38 -1.92 -3.41 115.31 106.75 3jtr h LEU 265 Ca 0.00 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.53 3jtr h LEU 265 Cb 0.80 -0.14 -0.19 0.00 0.09 0.00 0.00 40.66 41.22 3jtr h LEU 265 CO 0.00 0.78 0.16 0.00 0.09 0.00 0.00 178.44 179.47 3jtr s ALA 266 N -4.72 -1.70 0.87 1.53 0.00 -1.26 -4.56 121.76 111.91 3jtr s ALA 266 Ca -0.13 1.29 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 3jtr s ALA 266 Cb 0.08 -0.06 0.12 0.00 0.00 0.00 0.00 23.12 23.25 3jtr s ALA 266 CO 0.77 -0.36 1.15 -2.14 0.00 0.00 0.00 175.76 175.18 3jtr s PRO 267 N -1.11 1.46 -0.31 0.00 0.02 -1.26 -4.91 135.00 128.88 3jtr s PRO 267 Ca -0.11 0.24 0.06 0.00 0.02 0.00 0.00 61.00 61.22 3jtr s PRO 267 Cb -0.01 -1.88 0.46 0.00 0.02 0.00 0.00 34.50 33.09 3jtr s PRO 267 CO 0.09 -1.97 1.24 1.04 -0.33 0.00 0.00 177.00 177.07 3jtr n GLN 268 N -3.60 3.56 -2.73 5.54 6.02 -1.26 -4.79 117.38 120.13 3jtr n GLN 268 Ca 0.07 -4.12 -0.27 0.00 -0.01 0.00 0.00 57.00 52.67 3jtr n GLN 268 Cb 0.60 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.58 3jtr n GLN 268 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 3jtr s THR 269 N -4.62 4.77 0.47 5.09 -4.23 -1.26 -5.03 115.64 110.82 3jtr s THR 269 Ca 0.52 0.05 -0.23 0.00 -1.18 0.00 0.00 61.69 60.85 3jtr s THR 269 Cb 0.42 -3.81 -0.09 0.00 1.34 0.00 0.00 72.50 70.36 3jtr s THR 269 CO 0.03 -0.75 1.13 -2.65 -0.54 0.00 0.00 174.62 171.85 3jtr n PRO 270 N -2.22 1.52 -2.80 3.99 -0.02 -1.26 -4.87 135.00 129.33 3jtr n PRO 270 Ca 0.00 0.55 -0.41 0.00 -2.02 0.00 0.00 63.50 61.62 3jtr n PRO 270 Cb 0.56 -2.25 -0.04 0.00 -0.02 0.00 0.00 33.50 31.75 3jtr n PRO 270 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3jtr s HIS 271 N -1.29 3.75 0.78 6.00 3.76 -1.26 -4.98 115.29 122.05 3jtr s HIS 271 Ca 0.66 1.68 -0.15 0.00 -0.15 0.00 0.00 55.06 57.09 3jtr s HIS 271 Cb -0.50 -3.00 0.02 0.00 1.11 0.00 0.00 32.58 30.21 3jtr s HIS 271 CO 0.55 0.17 0.80 -1.13 -0.85 0.00 0.00 174.74 174.28 3jtr n SER 272 N 3.06 -0.31 -0.09 1.40 3.41 -1.26 -4.74 113.62 115.09 3jtr n SER 272 Ca 0.02 0.57 -0.04 0.00 -0.26 0.00 0.00 58.87 59.15 3jtr n SER 272 Cb 0.50 -1.34 0.16 0.00 -0.26 0.00 0.00 64.21 63.27 3jtr n SER 272 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3jtr h LEU 273 N -0.68 0.73 -0.53 1.04 3.38 -1.79 -0.58 115.31 116.89 3jtr h LEU 273 Ca -0.46 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 57.38 3jtr h LEU 273 Cb 1.32 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 3jtr h LEU 273 CO 0.43 0.82 0.25 -0.09 0.09 0.00 0.00 178.44 179.95 3jtr h ARG 274 N 0.70 0.47 -0.77 1.13 2.43 -1.70 0.94 114.38 117.59 3jtr h ARG 274 Ca 0.13 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 3jtr h ARG 274 Cb 0.48 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.89 3jtr h ARG 274 CO 0.02 0.31 0.33 0.00 -1.51 0.00 0.00 179.97 179.12 3jtr h ALA 275 N 1.30 1.00 -0.86 2.80 0.00 -1.61 0.44 119.26 122.33 3jtr h ALA 275 Ca 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3jtr h ALA 275 Cb 0.17 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3jtr h ALA 275 CO -0.18 0.61 0.48 1.96 0.00 0.00 0.00 179.25 182.11 3jtr h GLN 276 N 1.11 1.19 -0.59 0.00 4.20 -0.77 -2.43 115.11 117.82 3jtr h GLN 276 Ca 0.26 -0.13 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 3jtr h GLN 276 Cb 0.19 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 3jtr h GLN 276 CO -0.02 0.86 -0.01 1.96 -0.67 0.00 0.00 178.83 180.94 3jtr h GLN 277 N 1.20 1.05 -0.61 1.46 1.08 -0.05 -2.89 115.11 116.35 3jtr h GLN 277 Ca 0.30 -0.34 0.12 0.00 -1.45 0.00 0.00 58.65 57.28 3jtr h GLN 277 Cb 0.01 -0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 27.26 3jtr h GLN 277 CO -0.05 1.04 0.10 1.03 -0.95 0.00 0.00 178.83 180.00 3jtr h SER 278 N 0.95 -0.07 -0.50 1.46 0.87 -0.47 0.15 113.55 115.94 3jtr h SER 278 Ca 0.17 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 60.78 3jtr h SER 278 Cb 0.57 0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 3jtr h SER 278 CO 0.03 -0.03 0.03 0.58 -0.53 0.00 0.00 176.83 176.92 3jtr h VAL 279 N 0.22 1.26 -0.15 2.23 2.07 -1.27 -2.84 116.25 117.77 3jtr h VAL 279 Ca 0.32 -1.03 -0.22 0.00 0.82 0.00 0.00 66.70 66.59 3jtr h VAL 279 Cb 0.49 0.93 0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3jtr h VAL 279 CO -0.44 0.36 -0.76 0.03 0.02 0.00 0.00 177.57 176.78 3jtr h ARG 280 N 0.74 0.75 -0.74 1.57 3.08 -1.29 -1.03 114.38 117.46 3jtr h ARG 280 Ca 0.15 -0.61 0.03 0.00 0.07 0.00 0.00 59.98 59.62 3jtr h ARG 280 Cb 0.47 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.60 3jtr h ARG 280 CO 0.02 1.22 0.48 -0.07 -1.07 0.00 0.00 179.97 180.54 3jtr h LEU 281 N 0.52 0.79 0.27 3.04 3.38 -0.64 -0.89 115.31 121.78 3jtr h LEU 281 Ca -0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3jtr h LEU 281 Cb 1.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3jtr h LEU 281 CO 0.15 0.56 -0.13 0.24 0.09 0.00 0.00 178.44 179.35 3jtr h MET 282 N 0.94 -0.35 -0.06 1.13 2.86 -1.53 -3.32 114.93 114.60 3jtr h MET 282 Ca 0.29 0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.91 3jtr h MET 282 Cb -0.02 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3jtr h MET 282 CO -0.10 -0.06 -0.16 0.66 1.06 0.00 0.00 176.91 178.32 3jtr h SER 283 N -0.99 0.09 0.74 1.22 4.64 -1.12 -2.54 113.55 115.59 3jtr h SER 283 Ca -0.04 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3jtr h SER 283 Cb 0.46 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3jtr h SER 283 CO 0.06 0.26 -0.09 -0.62 -0.87 0.00 0.00 176.83 175.58 3jtr n GLU 284 N -4.30 0.20 -4.39 4.77 1.02 -0.35 -4.79 120.64 112.81 3jtr n GLU 284 Ca -0.02 -0.04 -0.33 0.00 -0.02 0.00 0.00 57.16 56.75 3jtr n GLU 284 Cb 0.25 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.02 3jtr n GLU 284 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3jtr s ASN 285 N -2.83 3.60 0.36 1.62 0.01 -0.96 -5.09 114.94 111.66 3jtr s ASN 285 Ca 0.19 -0.50 0.08 0.00 -0.71 0.00 0.00 52.86 51.92 3jtr s ASN 285 Cb 0.19 -1.56 -0.04 0.00 0.41 0.00 0.00 41.25 40.25 3jtr s ASN 285 CO 0.53 0.06 0.18 -1.81 -1.51 0.00 0.00 177.10 174.54 3jtr s ASP 286 N 0.98 4.68 -1.50 -1.22 1.11 -1.26 -4.75 116.67 114.71 3jtr s ASP 286 Ca -0.02 -0.83 -0.06 0.00 0.18 0.00 0.00 52.55 51.83 3jtr s ASP 286 Cb -0.15 -0.67 0.01 0.00 1.07 0.00 0.00 42.92 43.18 3jtr s ASP 286 CO -0.03 -0.38 0.74 -0.67 1.18 0.00 0.00 175.17 176.01 3jtr n ASP 287 N -1.21 -6.18 -4.73 0.27 4.64 -0.91 -4.90 116.55 103.53 3jtr n ASP 287 Ca -0.02 -0.34 -0.42 0.00 -1.38 0.00 0.00 54.79 52.63 3jtr n ASP 287 Cb 0.62 -4.95 -0.02 0.00 -1.04 0.00 0.00 41.12 35.73 3jtr n ASP 287 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3jtr s LEU 288 N -6.76 4.36 0.54 -2.67 1.43 -0.82 -3.64 118.68 111.13 3jtr s LEU 288 Ca 0.37 2.88 0.02 0.00 -1.03 0.00 0.00 54.13 56.36 3jtr s LEU 288 Cb -0.16 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.48 3jtr s LEU 288 CO 0.45 -0.93 0.77 0.42 0.23 0.00 0.00 176.35 177.29 3jtr s THR 289 N 0.65 2.68 0.23 5.49 -4.23 -1.26 -0.79 115.64 118.41 3jtr s THR 289 Ca 0.69 -0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 60.47 3jtr s THR 289 Cb -0.48 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.46 3jtr s THR 289 CO 0.39 0.00 1.71 0.25 -0.54 0.00 0.00 174.62 176.43 3jtr h LEU 290 N 0.10 0.90 -0.34 4.79 5.85 -1.98 -1.67 115.31 122.95 3jtr h LEU 290 Ca -0.42 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.08 3jtr h LEU 290 Cb 1.30 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3jtr h LEU 290 CO 0.52 0.95 0.22 -0.33 -0.34 0.00 0.00 178.44 179.45 3jtr h GLU 291 N 0.86 0.44 -0.31 1.25 3.07 -1.99 -0.14 114.58 117.75 3jtr h GLU 291 Ca 0.16 -0.03 -0.15 0.00 -0.50 0.00 0.00 59.36 58.84 3jtr h GLU 291 Cb 0.48 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.29 3jtr h GLU 291 CO 0.02 0.29 -0.42 -0.09 -1.40 0.00 0.00 179.01 177.41 3jtr h ARG 292 N 0.45 0.77 -0.29 2.33 9.65 -1.93 -1.40 114.38 123.97 3jtr h ARG 292 Ca 0.13 -0.41 0.04 0.00 -1.10 0.00 0.00 59.98 58.64 3jtr h ARG 292 Cb -0.04 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 3jtr h ARG 292 CO -0.04 1.04 0.06 0.35 2.80 0.00 0.00 179.97 184.18 3jtr h PHE 293 N 0.63 0.09 -0.82 2.20 3.57 -1.10 -0.40 116.94 121.10 3jtr h PHE 293 Ca 0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3jtr h PHE 293 Cb 0.98 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 3jtr h PHE 293 CO 0.05 0.02 0.49 0.52 -2.23 0.00 0.00 178.31 177.17 3jtr h MET 294 N 0.16 1.12 -0.47 1.11 2.86 -0.81 -2.65 114.93 116.26 3jtr h MET 294 Ca 0.13 -0.10 -0.08 0.00 -2.06 0.00 0.00 59.70 57.59 3jtr h MET 294 Cb 0.14 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3jtr h MET 294 CO -0.18 0.79 -0.02 0.00 1.06 0.00 0.00 176.91 178.56 3jtr h ALA 295 N 1.27 1.08 -0.25 6.32 0.00 -0.68 -2.45 119.26 124.55 3jtr h ALA 295 Ca 0.30 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3jtr h ALA 295 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3jtr h ALA 295 CO -0.06 0.58 -0.03 -0.07 0.00 0.00 0.00 179.25 179.67 3jtr h LEU 296 N 0.73 0.35 -1.73 0.00 3.38 -0.88 -2.40 115.31 114.76 3jtr h LEU 296 Ca 0.14 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3jtr h LEU 296 Cb 0.48 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3jtr h LEU 296 CO 0.02 0.43 -0.17 -0.61 0.09 0.00 0.00 178.44 178.21 3jtr h GLN 297 N 0.37 0.00 0.00 1.13 -0.00 -1.08 -2.56 115.11 112.96 3jtr h GLN 297 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 3jtr h GLN 297 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.77 3jtr h GLN 297 CO 0.01 0.17 0.00 1.28 0.00 0.00 0.00 178.83 180.29 3jtr n LEU 298 N -3.85 0.00 -4.52 -2.39 4.77 -0.90 -3.64 117.00 106.46 3jtr n LEU 298 Ca -0.02 0.43 -0.55 0.00 -0.03 0.00 0.00 56.01 55.84 3jtr n LEU 298 Cb 0.27 -0.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 3jtr n LEU 298 CO 0.33 -0.09 0.61 -1.20 -1.33 0.00 0.00 177.39 175.71 3jtr n SER 299 N -1.43 0.43 -2.74 -1.43 7.64 -0.97 -4.55 113.62 110.57 3jtr n SER 299 Ca 0.07 1.15 -0.04 0.00 1.01 0.00 0.00 58.87 61.05 3jtr n SER 299 Cb 0.24 -1.02 0.04 0.00 -1.01 0.00 0.00 64.21 62.46 3jtr n SER 299 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jtr n HIS 300 N 1.59 1.34 -2.26 1.43 1.44 -1.26 -1.92 115.22 115.59 3jtr n HIS 300 Ca 0.19 -2.37 -0.41 0.00 -2.01 0.00 0.00 57.72 53.12 3jtr n HIS 300 Cb 0.14 -0.28 -0.03 0.00 0.12 0.00 0.00 29.99 29.95 3jtr n HIS 300 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 3jtr s ARG 301 N -3.58 4.45 -1.32 -1.40 6.06 -1.26 -1.34 118.95 120.56 3jtr s ARG 301 Ca 0.29 2.04 -0.10 0.00 -2.50 0.00 0.00 55.73 55.45 3jtr s ARG 301 Cb 0.37 -3.14 0.14 0.00 0.06 0.00 0.00 34.95 32.37 3jtr s ARG 301 CO -0.01 -0.08 2.00 0.00 -2.50 0.00 0.00 175.30 174.70 3jtr n ALA 302 N 1.44 5.53 -0.22 6.12 0.00 0.40 -2.68 120.51 131.10 3jtr n ALA 302 Ca 0.01 -4.21 0.17 0.00 0.00 0.00 0.00 53.44 49.42 3jtr n ALA 302 Cb 0.43 -3.08 0.50 0.00 0.00 0.00 0.00 19.45 17.29 3jtr n ALA 302 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3jtr h VAL 303 N 3.71 0.73 0.00 0.00 2.07 -1.26 0.25 116.25 121.75 3jtr h VAL 303 Ca 0.45 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.77 3jtr h VAL 303 Cb 0.61 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3jtr h VAL 303 CO 1.68 0.08 -0.26 -0.03 0.02 0.00 0.00 177.57 179.05 3jtr h MET 304 N 0.43 0.00 -0.32 1.57 1.85 -1.48 -1.29 114.93 115.69 3jtr h MET 304 Ca 0.43 0.00 -0.02 0.00 -0.61 0.00 0.00 59.70 59.50 3jtr h MET 304 Cb 1.02 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.04 3jtr h MET 304 CO -0.16 0.26 0.10 0.00 -0.40 0.00 0.00 176.91 176.72 3jtr h ALA 305 N 1.74 0.42 -0.61 0.39 0.00 -0.78 -1.48 119.26 118.94 3jtr h ALA 305 Ca -0.00 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 54.87 3jtr h ALA 305 Cb 0.63 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 3jtr h ALA 305 CO 0.03 0.05 0.41 -0.44 0.00 0.00 0.00 179.25 179.31 3jtr h ASP 306 N 0.36 0.33 1.28 0.00 3.32 -1.18 0.40 116.42 120.94 3jtr h ASP 306 Ca 0.10 0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.09 3jtr h ASP 306 Cb 0.24 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3jtr h ASP 306 CO -0.00 0.19 -0.75 0.03 -1.72 0.00 0.00 179.24 176.99 3jtr h ARG 307 N 0.37 0.00 0.00 3.56 2.47 -1.04 -3.42 114.38 116.31 3jtr h ARG 307 Ca 0.29 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.95 3jtr h ARG 307 Cb 0.63 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.94 3jtr h ARG 307 CO -0.08 0.23 -1.22 0.25 0.56 0.00 0.00 179.97 179.71 3jtr n THR 308 N -2.99 0.22 -0.21 2.04 -2.24 -0.59 -0.94 114.28 109.58 3jtr n THR 308 Ca -0.01 -0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.79 3jtr n THR 308 Cb 0.68 -0.65 0.40 0.00 -2.10 0.00 0.00 70.33 68.66 3jtr n THR 308 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3jtr h LEU 309 N 0.00 0.59 -2.54 3.22 3.38 -0.42 -1.02 115.31 118.52 3jtr h LEU 309 Ca -0.09 0.02 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3jtr h LEU 309 Cb 1.14 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.79 3jtr h LEU 309 CO -0.01 0.33 0.05 -0.65 0.09 0.00 0.00 178.44 178.25 3jtr h PRO 310 N 0.64 0.00 0.03 1.13 0.11 -1.83 -2.08 132.00 130.01 3jtr h PRO 310 Ca 0.38 0.00 -0.38 0.00 0.11 0.00 0.00 66.00 66.11 3jtr h PRO 310 Cb 0.58 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.64 3jtr h PRO 310 CO -0.15 0.00 -2.35 -0.25 -0.21 0.00 0.00 178.00 175.05 3jtr n ASP 311 N -3.61 1.89 -0.03 -2.05 8.00 -0.55 -4.50 116.55 115.70 3jtr n ASP 311 Ca -0.02 -0.04 -0.11 0.00 0.71 0.00 0.00 54.79 55.33 3jtr n ASP 311 Cb 0.14 -0.44 -0.06 0.00 -0.02 0.00 0.00 41.12 40.74 3jtr n ASP 311 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3jtr h LEU 312 N 0.02 0.19 0.24 0.64 5.85 -1.03 -3.16 115.31 118.06 3jtr h LEU 312 Ca -0.54 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 57.97 3jtr h LEU 312 Cb 1.95 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.94 3jtr h LEU 312 CO -0.04 0.34 -0.12 0.40 -0.34 0.00 0.00 178.44 178.68 3jtr h ILE 313 N 0.03 0.77 -0.55 4.05 1.08 -1.63 -0.88 117.51 120.38 3jtr h ILE 313 Ca 0.04 -0.04 -0.02 0.00 -0.39 0.00 0.00 64.86 64.46 3jtr h ILE 313 Cb 0.21 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 3jtr h ILE 313 CO -0.00 0.01 0.25 -0.65 -0.69 0.00 0.00 178.15 177.07 3jtr h PRO 314 N -0.34 0.77 -0.79 2.37 0.11 -1.79 -1.41 132.00 130.91 3jtr h PRO 314 Ca -0.03 -0.10 -0.04 0.00 0.11 0.00 0.00 66.00 65.94 3jtr h PRO 314 Cb 0.26 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.19 3jtr h PRO 314 CO 0.05 0.61 0.33 0.00 -0.21 0.00 0.00 178.00 178.78 3jtr h ALA 315 N 1.51 1.03 0.00 -0.75 0.00 -1.43 -3.12 119.26 116.50 3jtr h ALA 315 Ca 0.19 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3jtr h ALA 315 Cb 0.10 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3jtr h ALA 315 CO -0.02 0.64 -0.67 0.00 0.00 0.00 0.00 179.25 179.20 3jtr h ALA 316 N 1.17 0.73 0.00 0.00 0.00 -0.49 -3.11 119.26 117.57 3jtr h ALA 316 Ca 0.27 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3jtr h ALA 316 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3jtr h ALA 316 CO -0.02 0.83 0.00 -0.07 0.00 0.00 0.00 179.25 179.99 3jtr h LEU 317 N 0.00 0.00 -0.73 0.00 3.38 -1.22 -2.25 115.31 114.49 3jtr h LEU 317 Ca -0.01 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3jtr h LEU 317 Cb 1.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.05 3jtr h LEU 317 CO 0.09 0.00 -0.63 0.40 0.09 0.00 0.00 178.44 178.39 3jtr h ILE 318 N 0.00 1.45 -3.72 1.22 2.04 -1.59 -3.47 117.51 113.45 3jtr h ILE 318 Ca 0.00 -2.14 -0.54 0.00 1.00 0.00 0.00 64.86 63.19 3jtr h ILE 318 Cb 0.50 2.15 0.10 0.00 -0.74 0.00 0.00 36.82 38.82 3jtr h ILE 318 CO 0.00 0.61 0.82 -0.62 0.00 0.00 0.00 178.15 178.96 3jtr s ASP 319 N -6.85 6.35 0.28 1.72 2.15 -0.85 -4.94 116.67 114.54 3jtr s ASP 319 Ca -0.02 3.01 -0.04 0.00 0.43 0.00 0.00 52.55 55.94 3jtr s ASP 319 Cb 0.13 -2.66 0.36 0.00 -0.30 0.00 0.00 42.92 40.45 3jtr s ASP 319 CO 0.77 -0.89 1.95 1.55 -0.17 0.00 0.00 175.17 178.38 3jtr h PRO 320 N 3.68 1.18 -6.21 4.34 0.13 -1.89 -3.44 132.00 129.80 3jtr h PRO 320 Ca -0.49 -0.08 -0.58 0.00 -0.87 0.00 0.00 66.00 63.98 3jtr h PRO 320 Cb 1.23 -0.26 0.01 0.00 0.13 0.00 0.00 31.00 32.11 3jtr h PRO 320 CO 0.70 0.79 1.30 -3.47 -0.23 0.00 0.00 178.00 177.08 3jtr n ASP 321 N -4.39 3.63 0.25 1.44 2.03 -1.26 -4.87 116.55 113.38 3jtr n ASP 321 Ca 0.10 0.68 0.08 0.00 0.52 0.00 0.00 54.79 56.17 3jtr n ASP 321 Cb 0.03 -1.49 0.63 0.00 -0.72 0.00 0.00 41.12 39.58 3jtr n ASP 321 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3jtr h PRO 322 N 11.77 0.00 -0.40 -0.67 0.11 -1.99 -1.60 132.00 139.22 3jtr h PRO 322 Ca -0.46 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.54 3jtr h PRO 322 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3jtr h PRO 322 CO 0.95 0.07 -0.22 1.49 -0.21 0.00 0.00 178.00 180.08 3jtr h GLU 323 N 0.00 0.79 -0.22 1.05 4.81 -1.97 0.24 114.58 119.29 3jtr h GLU 323 Ca -0.00 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 3jtr h GLU 323 Cb 0.13 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3jtr h GLU 323 CO 0.01 0.94 -0.00 0.28 -0.73 0.00 0.00 179.01 179.50 3jtr h VAL 324 N 0.69 1.26 -0.67 0.32 2.07 -1.73 -1.45 116.25 116.73 3jtr h VAL 324 Ca 0.10 -0.89 0.09 0.00 0.82 0.00 0.00 66.70 66.81 3jtr h VAL 324 Cb 0.73 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 3jtr h VAL 324 CO 0.06 0.27 0.32 1.56 0.02 0.00 0.00 177.57 179.80 3jtr h GLN 325 N 0.15 0.54 -0.08 1.57 4.20 -1.16 -1.08 115.11 119.25 3jtr h GLN 325 Ca 0.06 -0.03 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 3jtr h GLN 325 Cb 0.41 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 3jtr h GLN 325 CO 0.01 0.36 -0.40 0.00 -0.67 0.00 0.00 178.83 178.13 3jtr h ALA 326 N 1.41 1.18 0.10 3.87 0.00 -0.84 -2.02 119.26 122.96 3jtr h ALA 326 Ca 0.33 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3jtr h ALA 326 Cb 0.34 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3jtr h ALA 326 CO -0.26 0.56 -0.05 0.00 0.00 0.00 0.00 179.25 179.51 3jtr h ALA 327 N 1.45 -0.13 -0.94 0.00 0.00 -0.64 -1.08 119.26 117.92 3jtr h ALA 327 Ca 0.01 -0.14 0.18 0.00 0.00 0.00 0.00 54.91 54.96 3jtr h ALA 327 Cb 0.78 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.52 3jtr h ALA 327 CO 0.06 -0.45 0.54 0.00 0.00 0.00 0.00 179.25 179.40 3jtr h ALA 328 N 0.48 1.52 -0.24 0.00 0.00 -1.09 0.88 119.26 120.81 3jtr h ALA 328 Ca -0.01 0.09 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3jtr h ALA 328 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3jtr h ALA 328 CO 0.02 -0.08 -0.47 0.00 0.00 0.00 0.00 179.25 178.73 3jtr h ARG 329 N 0.70 0.74 0.04 0.00 3.08 -1.21 -0.32 114.38 117.40 3jtr h ARG 329 Ca 0.54 -0.48 0.01 0.00 0.07 0.00 0.00 59.98 60.12 3jtr h ARG 329 Cb 0.82 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.92 3jtr h ARG 329 CO -0.39 1.10 -0.08 1.25 -1.07 0.00 0.00 179.97 180.78 3jtr h LEU 330 N 0.47 -0.23 -1.06 3.04 5.85 -0.75 -2.32 115.31 120.32 3jtr h LEU 330 Ca 0.01 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3jtr h LEU 330 Cb 1.07 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 3jtr h LEU 330 CO 0.10 -0.12 0.63 -0.07 -0.34 0.00 0.00 178.44 178.64 3jtr h LEU 331 N -0.16 1.00 -0.99 2.25 3.38 -0.79 -2.48 115.31 117.51 3jtr h LEU 331 Ca 0.02 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3jtr h LEU 331 Cb 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3jtr h LEU 331 CO -0.06 0.64 -0.28 0.00 0.09 0.00 0.00 178.44 178.83 3jtr h ALA 332 N 1.47 1.00 -0.01 1.53 0.00 -0.78 -2.90 119.26 119.58 3jtr h ALA 332 Ca 0.42 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3jtr h ALA 332 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3jtr h ALA 332 CO -0.16 0.35 -0.12 0.00 0.00 0.00 0.00 179.25 179.32 3jtr n ALA 333 N -2.24 2.80 -2.03 0.00 0.00 -0.90 -4.89 120.51 113.25 3jtr n ALA 333 Ca 0.00 -0.32 -0.41 0.00 0.00 0.00 0.00 53.44 52.72 3jtr n ALA 333 Cb 0.47 -1.28 -0.05 0.00 0.00 0.00 0.00 19.45 18.59 3jtr n ALA 333 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3jtr s TRP 334 N -2.37 3.89 -1.43 0.00 -0.00 -1.10 -4.94 118.94 113.00 3jtr s TRP 334 Ca 0.31 1.85 0.28 0.00 -0.00 0.00 0.00 56.10 58.53 3jtr s TRP 334 Cb 0.20 -3.01 1.41 0.00 -0.00 0.00 0.00 33.47 32.06 3jtr s TRP 334 CO 0.46 0.33 1.96 -0.40 -0.00 0.00 0.00 176.95 179.29 3jtr n ASP 335 N 2.19 0.00 -0.68 5.86 5.75 -1.26 -4.90 116.55 123.51 3jtr n ASP 335 Ca 0.00 -0.11 -0.06 0.00 -0.01 0.00 0.00 54.79 54.61 3jtr n ASP 335 Cb 0.48 -0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 40.28 3jtr n ASP 335 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3jtr n ARG 336 N -1.29 -0.49 -4.25 0.11 1.74 -1.26 -4.99 116.66 106.24 3jtr n ARG 336 Ca 0.13 0.36 -0.32 0.00 -0.77 0.00 0.00 57.85 57.25 3jtr n ARG 336 Cb 0.22 -4.19 -0.09 0.00 -1.02 0.00 0.00 32.46 27.38 3jtr n ARG 336 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3jtr s GLU 337 N -4.06 2.67 -1.42 5.56 0.41 -1.26 -0.46 118.70 120.14 3jtr s GLU 337 Ca 0.00 -0.71 -0.08 0.00 -0.41 0.00 0.00 54.97 53.78 3jtr s GLU 337 Cb 0.00 -2.60 0.06 0.00 -1.78 0.00 0.00 34.13 29.81 3jtr s GLU 337 CO 0.00 0.59 2.50 1.19 -0.49 0.00 0.00 175.26 179.05 3jtr n PHE 338 N 1.12 2.63 -2.36 1.61 3.01 -0.45 -4.88 117.46 118.13 3jtr n PHE 338 Ca -0.13 -2.91 -0.31 0.00 1.01 0.00 0.00 57.45 55.11 3jtr n PHE 338 Cb 0.52 -2.09 -0.02 0.00 -0.01 0.00 0.00 39.48 37.89 3jtr n PHE 338 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3jtr s THR 339 N 0.27 4.70 0.35 4.37 -4.23 -1.26 -0.69 115.64 119.14 3jtr s THR 339 Ca 0.57 0.84 0.09 0.00 -1.18 0.00 0.00 61.69 62.01 3jtr s THR 339 Cb 0.17 -3.79 0.32 0.00 1.34 0.00 0.00 72.50 70.54 3jtr s THR 339 CO -0.07 -0.82 1.86 0.28 -0.54 0.00 0.00 174.62 175.32 3jtr h SER 340 N 0.50 0.67 -0.45 3.99 0.02 -1.94 -2.67 113.55 113.66 3jtr h SER 340 Ca -0.46 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3jtr h SER 340 Cb 1.19 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.65 3jtr h SER 340 CO 0.62 0.32 0.00 -0.90 -1.14 0.00 0.00 176.83 175.74 3jtr n ASP 341 N -4.58 2.46 -4.71 3.07 5.68 -1.26 0.13 116.55 117.33 3jtr n ASP 341 Ca 0.18 -2.02 -0.42 0.00 -0.50 0.00 0.00 54.79 52.04 3jtr n ASP 341 Cb 0.49 -0.31 -0.03 0.00 -1.14 0.00 0.00 41.12 40.13 3jtr n ASP 341 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3jtr s SER 342 N -0.99 7.01 -0.00 -1.12 0.15 -1.01 -4.77 113.70 112.98 3jtr s SER 342 Ca 0.30 2.08 0.22 0.00 0.70 0.00 0.00 55.95 59.25 3jtr s SER 342 Cb 0.16 -2.58 -0.20 0.00 -1.71 0.00 0.00 66.02 61.69 3jtr s SER 342 CO 0.20 -0.53 0.81 0.54 1.20 0.00 0.00 173.24 175.46 3jtr n ARG 343 N 4.10 0.23 0.01 5.44 1.74 -1.26 -0.36 116.66 126.55 3jtr n ARG 343 Ca 0.10 -0.06 0.11 0.00 -0.77 0.00 0.00 57.85 57.23 3jtr n ARG 343 Cb 0.45 -1.52 -0.10 0.00 -1.02 0.00 0.00 32.46 30.28 3jtr n ARG 343 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jtr n ALA 344 N -1.77 3.45 0.17 7.54 0.00 -1.26 -4.17 120.51 124.47 3jtr n ALA 344 Ca 0.01 -0.49 -0.14 0.00 0.00 0.00 0.00 53.44 52.82 3jtr n ALA 344 Cb 0.41 -0.83 -0.08 0.00 0.00 0.00 0.00 19.45 18.95 3jtr n ALA 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jtr h ALA 345 N 2.40 -0.42 -0.41 0.00 0.00 -1.90 0.18 119.26 119.10 3jtr h ALA 345 Ca 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3jtr h ALA 345 Cb 0.80 0.16 -0.06 0.00 0.00 0.00 0.00 17.79 18.69 3jtr h ALA 345 CO 0.00 -0.62 0.06 -0.07 0.00 0.00 0.00 179.25 178.62 3jtr h LEU 346 N -0.64 -0.04 -0.73 0.00 3.38 -1.86 0.36 115.31 115.79 3jtr h LEU 346 Ca -0.04 0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3jtr h LEU 346 Cb 0.45 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3jtr h LEU 346 CO 0.07 0.02 0.42 0.25 0.09 0.00 0.00 178.44 179.29 3jtr h LEU 347 N 0.18 0.64 -0.37 1.67 5.85 -1.75 -2.23 115.31 119.30 3jtr h LEU 347 Ca 0.20 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3jtr h LEU 347 Cb 0.26 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3jtr h LEU 347 CO -0.28 0.40 0.15 0.15 -0.34 0.00 0.00 178.44 178.52 3jtr h PHE 348 N 0.77 0.56 -0.79 1.25 3.57 0.39 -2.59 116.94 120.09 3jtr h PHE 348 Ca 0.33 -0.04 0.18 0.00 3.53 0.00 0.00 57.97 61.97 3jtr h PHE 348 Cb 0.20 -0.17 -0.14 0.00 2.79 0.00 0.00 35.95 38.63 3jtr h PHE 348 CO -0.06 0.51 -0.04 0.93 -2.23 0.00 0.00 178.31 177.41 3jtr h GLU 349 N 0.46 0.06 -0.07 1.11 5.08 -0.42 -0.76 114.58 120.03 3jtr h GLU 349 Ca 0.12 -0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 3jtr h GLU 349 Cb 0.18 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3jtr h GLU 349 CO -0.01 0.04 -0.41 0.93 -1.00 0.00 0.00 179.01 178.56 3jtr h GLU 350 N 0.07 0.16 -0.18 2.33 4.39 -1.05 0.54 114.58 120.84 3jtr h GLU 350 Ca 0.43 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.90 3jtr h GLU 350 Cb 0.75 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 3jtr h GLU 350 CO -0.73 0.55 -0.47 2.35 -1.16 0.00 0.00 179.01 179.54 3jtr h TRP 351 N 0.14 0.82 -0.31 4.33 7.01 -1.06 -3.20 115.95 123.68 3jtr h TRP 351 Ca 0.01 -0.32 -0.01 0.00 2.11 0.00 0.00 58.89 60.69 3jtr h TRP 351 Cb 0.79 -0.14 -0.02 0.00 -2.10 0.00 0.00 29.16 27.69 3jtr h TRP 351 CO 0.01 1.09 0.17 0.00 -2.79 0.00 0.00 178.44 176.92 3jtr h ALA 352 N 0.57 1.71 -0.10 2.65 0.00 -0.44 0.35 119.26 124.00 3jtr h ALA 352 Ca -0.01 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3jtr h ALA 352 Cb 1.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3jtr h ALA 352 CO 0.10 0.25 -0.18 0.00 0.00 0.00 0.00 179.25 179.41 3jtr h ARG 353 N 0.43 0.16 0.19 0.00 3.08 -0.94 0.24 114.38 117.53 3jtr h ARG 353 Ca 0.11 -0.04 -0.35 0.00 0.07 0.00 0.00 59.98 59.77 3jtr h ARG 353 Cb 0.02 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.06 3jtr h ARG 353 CO -0.02 0.35 -1.74 -0.07 -1.07 0.00 0.00 179.97 177.42 3jtr h LEU 354 N 0.15 0.63 -0.70 3.04 3.38 -1.21 -2.25 115.31 118.35 3jtr h LEU 354 Ca 0.03 -0.92 -0.14 0.00 0.09 0.00 0.00 57.88 56.94 3jtr h LEU 354 Cb 0.42 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3jtr h LEU 354 CO 0.03 1.78 -0.51 0.15 0.09 0.00 0.00 178.44 179.98 3jtr h PHE 355 N 0.11 0.44 0.00 1.13 3.57 -0.14 -3.33 116.94 118.72 3jtr h PHE 355 Ca -0.34 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.01 3jtr h PHE 355 Cb 2.10 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 40.75 3jtr h PHE 355 CO 0.10 0.80 -0.22 0.00 -2.23 0.00 0.00 178.31 176.76 3jtr n ALA 356 N -2.49 2.17 -0.24 2.41 0.00 0.81 -4.40 120.51 118.77 3jtr n ALA 356 Ca -0.02 -1.96 0.03 0.00 0.00 0.00 0.00 53.44 51.49 3jtr n ALA 356 Cb 0.56 -0.43 -0.01 0.00 0.00 0.00 0.00 19.45 19.57 3jtr n ALA 356 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jtr n GLY 357 N -0.83 -2.22 0.28 0.00 0.00 -0.85 -1.29 105.19 100.28 3jtr n GLY 357 Ca 0.09 -1.42 0.13 0.00 0.00 0.00 0.00 46.02 44.82 3jtr n GLY 357 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3jtr h GLN 358 N -0.23 0.00 -0.28 1.61 1.08 -1.89 -0.53 115.11 114.87 3jtr h GLN 358 Ca -0.02 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3jtr h GLN 358 Cb 0.23 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 3jtr h GLN 358 CO 0.01 0.07 0.00 0.27 -0.95 0.00 0.00 178.83 178.23 3jtr n ASN 359 N -3.79 3.33 -0.94 1.46 6.94 -1.26 -4.95 115.26 116.05 3jtr n ASN 359 Ca -0.02 -2.00 -0.12 0.00 -0.02 0.00 0.00 54.58 52.42 3jtr n ASN 359 Cb 0.17 -0.17 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 3jtr n ASN 359 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 3jtr n PHE 360 N 1.46 -0.04 0.07 -2.53 3.01 -0.21 -4.79 117.46 114.43 3jtr n PHE 360 Ca 0.18 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.70 3jtr n PHE 360 Cb 0.61 -2.23 -0.10 0.00 -0.01 0.00 0.00 39.48 37.75 3jtr n PHE 360 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3jtr n ALA 361 N 1.02 2.64 -1.58 4.37 0.00 -1.03 -4.77 120.51 121.16 3jtr n ALA 361 Ca -0.12 -0.32 -0.39 0.00 0.00 0.00 0.00 53.44 52.61 3jtr n ALA 361 Cb 0.41 -0.46 0.04 0.00 0.00 0.00 0.00 19.45 19.44 3jtr n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jtr n GLY 362 N 1.69 -0.54 0.00 0.00 0.00 -0.41 -4.97 105.19 100.97 3jtr n GLY 362 Ca -0.02 -0.05 0.02 0.00 0.00 0.00 0.00 46.02 45.98 3jtr n GLY 362 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3jtr n GLN 363 N -0.41 1.19 0.26 1.61 1.13 -1.26 -4.76 117.38 115.14 3jtr n GLN 363 Ca 0.12 -0.04 0.16 0.00 -1.94 0.00 0.00 57.00 55.30 3jtr n GLN 363 Cb 0.45 -1.04 0.88 0.00 0.11 0.00 0.00 30.24 30.63 3jtr n GLN 363 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3jtr h ALA 364 N 0.50 1.65 0.00 -1.58 0.00 -1.93 -2.52 119.26 115.38 3jtr h ALA 364 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jtr h ALA 364 Cb 0.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3jtr h ALA 364 CO 0.00 -0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.52 3jtr n GLY 365 N -1.36 -1.50 3.83 0.00 0.00 -1.26 -4.87 105.19 100.03 3jtr n GLY 365 Ca -0.01 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3jtr n GLY 365 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jtr s PHE 366 N -3.04 3.58 0.10 1.61 0.40 -0.95 -1.22 117.98 118.45 3jtr s PHE 366 Ca 0.12 1.24 -0.11 0.00 -0.60 0.00 0.00 56.93 57.58 3jtr s PHE 366 Cb 0.16 -2.52 -0.17 0.00 0.51 0.00 0.00 43.02 41.00 3jtr s PHE 366 CO 0.52 0.32 1.26 0.00 0.70 0.00 0.00 175.22 178.02 3jtr h ALA 367 N 3.23 0.25 -3.04 5.36 0.00 -0.73 -3.39 119.26 120.94 3jtr h ALA 367 Ca -0.48 -0.66 -0.66 0.00 0.00 0.00 0.00 54.91 53.11 3jtr h ALA 367 Cb 1.19 0.02 -0.30 0.00 0.00 0.00 0.00 17.79 18.69 3jtr h ALA 367 CO 0.66 0.71 -0.76 0.99 0.00 0.00 0.00 179.25 180.84 3jtr s THR 368 N -3.49 2.98 0.69 0.00 2.01 0.25 -4.90 115.64 113.18 3jtr s THR 368 Ca -0.09 -0.67 -0.13 0.00 0.31 0.00 0.00 61.69 61.12 3jtr s THR 368 Cb 0.08 -2.35 0.01 0.00 0.01 0.00 0.00 72.50 70.25 3jtr s THR 368 CO 0.90 0.43 1.08 -2.16 -0.69 0.00 0.00 174.62 174.18 3jtr s PRO 369 N 1.41 2.81 0.33 4.92 0.04 -1.26 -0.68 135.00 142.57 3jtr s PRO 369 Ca 0.05 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 61.95 3jtr s PRO 369 Cb -0.14 -1.97 -0.12 0.00 0.04 0.00 0.00 34.50 32.31 3jtr s PRO 369 CO -0.06 -1.21 1.41 1.87 0.04 0.00 0.00 177.00 179.05 3jtr n TRP 370 N -2.86 2.55 -3.96 0.56 -0.00 -1.26 -4.57 117.44 107.90 3jtr n TRP 370 Ca 0.09 0.46 -0.16 0.00 -0.00 0.00 0.00 57.50 57.88 3jtr n TRP 370 Cb 0.53 -2.48 -0.16 0.00 -0.00 0.00 0.00 31.31 29.20 3jtr n TRP 370 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3jtr s SER 371 N -0.05 0.41 0.62 5.87 0.15 -1.26 -4.94 113.70 114.50 3jtr s SER 371 Ca 0.58 -0.04 0.27 0.00 0.70 0.00 0.00 55.95 57.46 3jtr s SER 371 Cb -0.54 -0.19 1.33 0.00 -1.71 0.00 0.00 66.02 64.90 3jtr s SER 371 CO 0.59 -0.07 1.75 0.25 1.20 0.00 0.00 173.24 176.96 3jtr h LEU 372 N 7.01 0.00 0.00 3.45 5.85 -1.95 -2.06 115.31 127.60 3jtr h LEU 372 Ca -0.40 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.07 3jtr h LEU 372 Cb 1.15 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.13 3jtr h LEU 372 CO 0.48 0.00 -1.57 0.44 -0.34 0.00 0.00 178.44 177.45 3jtr h ASP 373 N 0.00 0.00 -2.23 1.25 3.32 -2.01 -3.35 116.42 113.41 3jtr h ASP 373 Ca 0.18 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.62 3jtr h ASP 373 Cb 1.34 0.00 -0.42 0.00 0.22 0.00 0.00 39.33 40.47 3jtr h ASP 373 CO -0.00 0.89 -0.57 0.29 -1.72 0.00 0.00 179.24 178.13 3jtr n LYS 374 N -3.03 2.54 0.00 3.56 5.02 -0.80 -4.96 118.16 120.49 3jtr n LYS 374 Ca -0.14 -4.67 0.14 0.00 -2.02 0.00 0.00 58.31 51.62 3jtr n LYS 374 Cb 0.99 -2.26 0.66 0.00 -0.02 0.00 0.00 35.03 34.39 3jtr n LYS 374 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3jtr n PRO 375 N 0.88 0.16 -0.18 1.97 -0.04 -1.07 -2.58 135.00 134.14 3jtr n PRO 375 Ca 0.30 -0.01 0.09 0.00 -0.04 0.00 0.00 63.50 63.84 3jtr n PRO 375 Cb 0.41 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.53 3jtr n PRO 375 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3jtr n VAL 376 N -1.41 1.97 -1.22 0.52 0.24 -1.26 -4.72 118.33 112.45 3jtr n VAL 376 Ca 0.10 -2.40 0.00 0.00 -2.04 0.00 0.00 64.34 60.00 3jtr n VAL 376 Cb 0.31 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 3jtr n VAL 376 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3jtr n SER 377 N -1.33 0.00 -4.41 -1.34 3.41 -1.09 -4.96 113.62 103.90 3jtr n SER 377 Ca 0.17 -1.00 -0.21 0.00 -0.26 0.00 0.00 58.87 57.57 3jtr n SER 377 Cb 0.67 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.52 3jtr n SER 377 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3jtr s THR 378 N 0.00 2.12 0.70 6.66 -4.23 -1.07 -4.54 115.64 115.29 3jtr s THR 378 Ca 0.00 -2.31 -0.11 0.00 -1.18 0.00 0.00 61.69 58.09 3jtr s THR 378 Cb 0.00 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.67 3jtr s THR 378 CO 0.00 -0.49 1.07 -2.16 -0.54 0.00 0.00 174.62 172.50 3jtr s PRO 379 N -3.58 2.83 0.03 3.99 0.04 -1.26 -4.77 135.00 132.28 3jtr s PRO 379 Ca 0.26 1.02 0.02 0.00 0.04 0.00 0.00 61.00 62.35 3jtr s PRO 379 Cb -0.03 -1.97 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3jtr s PRO 379 CO 0.11 -1.19 -0.08 -0.47 0.04 0.00 0.00 177.00 175.42 3jtr s TYR 380 N -2.96 0.66 0.00 0.56 6.14 0.15 -4.92 117.35 116.97 3jtr s TYR 380 Ca 0.59 -0.39 0.00 0.00 0.64 0.00 0.00 57.07 57.92 3jtr s TYR 380 Cb -0.15 -0.40 0.00 0.00 0.42 0.00 0.00 41.96 41.83 3jtr s TYR 380 CO 0.54 -0.06 0.00 0.41 0.64 0.00 0.00 175.55 177.08 3jtr n GLY 381 N 1.86 -1.58 3.42 8.97 0.00 -0.11 -0.58 105.19 117.16 3jtr n GLY 381 Ca -0.20 -1.56 -0.36 0.00 0.00 0.00 0.00 46.02 43.90 3jtr n GLY 381 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jtr s VAL 382 N -2.21 4.15 0.19 1.61 1.01 -1.26 -1.64 120.40 122.24 3jtr s VAL 382 Ca 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 61.98 61.65 3jtr s VAL 382 Cb 0.00 -2.94 0.11 0.00 0.00 0.00 0.00 36.38 33.55 3jtr s VAL 382 CO 0.00 0.34 1.71 -0.09 0.00 0.00 0.00 175.10 177.06 3jtr h ARG 383 N 8.22 1.12 -2.73 2.72 2.43 -1.35 -3.39 114.38 121.39 3jtr h ARG 383 Ca -0.39 -0.27 -0.60 0.00 -0.81 0.00 0.00 59.98 57.91 3jtr h ARG 383 Cb 1.17 -0.14 -0.40 0.00 -0.42 0.00 0.00 29.97 30.18 3jtr h ARG 383 CO 0.58 0.99 -0.80 0.34 -1.51 0.00 0.00 179.97 179.57 3jtr s ASP 384 N -6.44 3.01 0.18 -3.80 -1.08 -1.26 -4.92 116.67 102.36 3jtr s ASP 384 Ca -0.12 -2.94 -0.14 0.00 -0.52 0.00 0.00 52.55 48.84 3jtr s ASP 384 Cb 0.14 -0.85 0.16 0.00 -1.46 0.00 0.00 42.92 40.92 3jtr s ASP 384 CO 0.85 -0.21 1.72 -0.65 0.52 0.00 0.00 175.17 177.40 3jtr h PRO 385 N 6.16 0.22 -0.45 4.34 0.11 -1.94 -1.04 132.00 139.39 3jtr h PRO 385 Ca 0.12 -0.01 0.09 0.00 0.11 0.00 0.00 66.00 66.31 3jtr h PRO 385 Cb 0.90 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 31.87 3jtr h PRO 385 CO 0.45 0.15 -0.11 0.87 -0.21 0.00 0.00 178.00 179.15 3jtr h LYS 386 N 0.23 0.00 -0.73 1.05 1.57 -1.95 -0.27 116.57 116.47 3jtr h LYS 386 Ca 0.23 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 3jtr h LYS 386 Cb 0.29 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3jtr h LYS 386 CO -0.30 0.00 0.35 0.00 -0.57 0.00 0.00 179.45 178.93 3jtr h ALA 387 N 1.45 0.95 -0.47 3.86 0.00 -1.84 -2.40 119.26 120.80 3jtr h ALA 387 Ca 0.22 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3jtr h ALA 387 Cb 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3jtr h ALA 387 CO -0.46 0.52 0.05 0.00 0.00 0.00 0.00 179.25 179.36 3jtr h ALA 388 N 1.17 1.20 -0.53 0.00 0.00 -0.73 -1.36 119.26 119.01 3jtr h ALA 388 Ca 0.25 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3jtr h ALA 388 Cb 0.13 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3jtr h ALA 388 CO -0.03 0.53 0.05 0.28 0.00 0.00 0.00 179.25 180.08 3jtr h VAL 389 N 0.71 1.26 -0.78 0.00 2.07 -0.78 0.11 116.25 118.85 3jtr h VAL 389 Ca 0.15 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.69 3jtr h VAL 389 Cb 0.36 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 3jtr h VAL 389 CO 0.01 0.37 0.48 0.44 0.02 0.00 0.00 177.57 178.89 3jtr h ASP 390 N 0.79 0.78 -0.92 0.57 3.45 -1.11 0.13 116.42 120.11 3jtr h ASP 390 Ca 0.16 0.01 0.07 0.00 0.43 0.00 0.00 57.03 57.70 3jtr h ASP 390 Cb 0.47 -0.16 -0.06 0.00 -0.56 0.00 0.00 39.33 39.02 3jtr h ASP 390 CO 0.02 0.52 0.60 1.56 -1.57 0.00 0.00 179.24 180.36 3jtr h GLN 391 N 0.92 0.99 -0.31 3.56 4.20 -0.76 -1.66 115.11 122.04 3jtr h GLN 391 Ca 0.33 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.88 3jtr h GLN 391 Cb 0.09 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3jtr h GLN 391 CO -0.14 0.66 -0.19 1.25 -0.67 0.00 0.00 178.83 179.74 3jtr h LEU 392 N 1.02 0.57 0.05 1.46 5.85 0.15 -0.72 115.31 123.70 3jtr h LEU 392 Ca 0.40 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.95 3jtr h LEU 392 Cb 0.24 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3jtr h LEU 392 CO -0.16 0.77 -0.07 -0.09 -0.34 0.00 0.00 178.44 178.56 3jtr h ARG 393 N 0.52 -0.14 -0.58 1.25 2.43 0.03 0.73 114.38 118.61 3jtr h ARG 393 Ca 0.08 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 3jtr h ARG 393 Cb 0.62 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 3jtr h ARG 393 CO 0.04 -0.09 0.11 1.15 -1.51 0.00 0.00 179.97 179.67 3jtr h THR 394 N -0.14 1.24 -0.38 0.20 2.02 -1.26 -2.89 112.91 111.69 3jtr h THR 394 Ca 0.01 -0.91 -0.07 0.00 0.77 0.00 0.00 66.41 66.20 3jtr h THR 394 Cb 0.15 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3jtr h THR 394 CO -0.03 0.34 -0.08 0.00 0.37 0.00 0.00 175.52 176.12 3jtr h ALA 395 N 1.25 1.17 -0.12 6.16 0.00 -0.69 -0.28 119.26 126.75 3jtr h ALA 395 Ca 0.18 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3jtr h ALA 395 Cb 0.36 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3jtr h ALA 395 CO 0.00 0.53 0.03 0.82 0.00 0.00 0.00 179.25 180.64 3jtr h ILE 396 N 0.59 0.96 0.18 0.00 2.04 -0.66 0.12 117.51 120.74 3jtr h ILE 396 Ca 0.11 -0.03 0.01 0.00 1.00 0.00 0.00 64.86 65.95 3jtr h ILE 396 Cb 0.49 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 3jtr h ILE 396 CO 0.03 0.02 -0.53 0.00 0.00 0.00 0.00 178.15 177.66 3jtr h ALA 397 N 1.08 -1.03 -0.89 1.87 0.00 -1.34 -2.05 119.26 116.90 3jtr h ALA 397 Ca 0.05 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.93 3jtr h ALA 397 Cb 0.03 0.88 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3jtr h ALA 397 CO -0.06 -1.14 0.53 -0.91 0.00 0.00 0.00 179.25 177.67 3jtr h ASN 398 N -0.80 0.79 -0.57 0.00 2.35 -0.82 -0.46 115.58 116.07 3jtr h ASN 398 Ca -0.02 0.04 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 3jtr h ASN 398 Cb 0.78 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.01 3jtr h ASN 398 CO -0.26 0.46 0.33 0.74 -1.65 0.00 0.00 177.43 177.05 3jtr h THR 399 N 0.90 1.18 -0.11 2.81 2.02 -0.85 0.18 112.91 119.04 3jtr h THR 399 Ca 0.42 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3jtr h THR 399 Cb 0.34 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 3jtr h THR 399 CO -0.23 0.19 -0.01 0.11 0.37 0.00 0.00 175.52 175.95 3jtr h LYS 400 N 0.77 0.20 0.10 6.66 1.57 -0.52 0.74 116.57 126.08 3jtr h LYS 400 Ca 0.20 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3jtr h LYS 400 Cb 0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.30 3jtr h LYS 400 CO -0.04 0.46 -0.14 -0.09 -0.57 0.00 0.00 179.45 179.08 3jtr h ARG 401 N -0.09 -0.27 -0.16 3.15 2.43 -1.06 0.22 114.38 118.60 3jtr h ARG 401 Ca 0.03 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 3jtr h ARG 401 Cb 0.38 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 3jtr h ARG 401 CO 0.01 -0.18 0.05 0.87 -1.51 0.00 0.00 179.97 179.20 3jtr h LYS 402 N -0.28 0.24 0.00 0.20 1.57 -0.94 -3.38 116.57 113.98 3jtr h LYS 402 Ca 0.02 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3jtr h LYS 402 Cb 0.29 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3jtr h LYS 402 CO -0.07 0.37 -0.58 0.66 -0.57 0.00 0.00 179.45 179.26 3jtr n TYR 403 N -4.84 0.00 -0.02 -1.35 4.02 0.25 -3.84 117.16 111.38 3jtr n TYR 403 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 3jtr n TYR 403 Cb 0.15 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 3jtr n TYR 403 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3jtr n GLY 404 N 1.41 0.49 3.51 2.72 0.00 0.77 -4.82 105.19 109.28 3jtr n GLY 404 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 3jtr n GLY 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jtr s ALA 405 N -2.18 -1.74 -1.23 4.61 0.00 -1.25 -4.94 121.76 115.03 3jtr s ALA 405 Ca 0.00 0.77 0.29 0.00 0.00 0.00 0.00 51.96 53.02 3jtr s ALA 405 Cb 0.00 0.57 1.21 0.00 0.00 0.00 0.00 23.12 24.90 3jtr s ALA 405 CO 0.00 -0.75 1.88 0.44 0.00 0.00 0.00 175.76 177.33 3jtr n ILE 406 N -0.30 0.00 -2.31 0.00 -5.35 -1.26 -4.15 119.36 105.99 3jtr n ILE 406 Ca -0.10 -0.01 0.01 0.00 -0.27 0.00 0.00 62.75 62.38 3jtr n ILE 406 Cb 0.62 -0.33 0.07 0.00 -1.74 0.00 0.00 39.64 38.27 3jtr n ILE 406 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3jtr n ASP 407 N -1.34 1.61 -4.75 7.28 5.75 -1.26 -4.53 116.55 119.31 3jtr n ASP 407 Ca 0.10 -2.61 -0.41 0.00 -0.01 0.00 0.00 54.79 51.86 3jtr n ASP 407 Cb 0.30 -0.39 -0.03 0.00 -1.03 0.00 0.00 41.12 39.97 3jtr n ASP 407 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3jtr s ARG 408 N -1.77 4.40 0.29 0.11 3.52 -1.26 -4.75 118.95 119.49 3jtr s ARG 408 Ca 0.35 2.07 -0.30 0.00 -0.13 0.00 0.00 55.73 57.72 3jtr s ARG 408 Cb 0.37 -3.16 -0.12 0.00 -1.56 0.00 0.00 34.95 30.49 3jtr s ARG 408 CO -0.10 -0.19 1.61 -2.30 -0.81 0.00 0.00 175.30 173.50 3jtr n PRO 409 N 2.05 2.72 -0.30 5.12 -0.02 -1.26 -4.57 135.00 138.74 3jtr n PRO 409 Ca 0.04 0.97 -0.02 0.00 -2.02 0.00 0.00 63.50 62.46 3jtr n PRO 409 Cb 0.43 -2.76 0.03 0.00 -0.02 0.00 0.00 33.50 31.18 3jtr n PRO 409 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 3jtr h PHE 410 N 4.98 -0.97 -0.05 6.00 3.57 -0.36 -0.51 116.94 129.59 3jtr h PHE 410 Ca -0.47 0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.12 3jtr h PHE 410 Cb 1.22 0.55 0.00 0.00 2.79 0.00 0.00 35.95 40.51 3jtr h PHE 410 CO 0.59 -0.39 0.00 0.41 -2.23 0.00 0.00 178.31 176.68 3jtr n GLY 411 N -1.46 -0.69 0.13 2.40 0.00 0.34 0.11 105.19 106.01 3jtr n GLY 411 Ca 0.08 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 3jtr n GLY 411 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3jtr n ASP 412 N -0.43 2.07 -0.01 1.61 -0.08 -0.22 -4.00 116.55 115.48 3jtr n ASP 412 Ca 0.09 0.14 -0.17 0.00 -1.51 0.00 0.00 54.79 53.34 3jtr n ASP 412 Cb 0.09 -0.75 -0.09 0.00 2.34 0.00 0.00 41.12 42.72 3jtr n ASP 412 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3jtr h ALA 413 N -0.02 0.21 -1.84 -1.67 0.00 -1.37 -3.44 119.26 111.13 3jtr h ALA 413 Ca -0.47 -0.56 -0.63 0.00 0.00 0.00 0.00 54.91 53.24 3jtr h ALA 413 Cb 1.94 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 19.59 3jtr h ALA 413 CO 0.01 0.50 0.44 -1.12 0.00 0.00 0.00 179.25 179.07 3jtr s SER 414 N -6.88 6.28 0.12 0.00 0.01 0.12 -0.66 113.70 112.67 3jtr s SER 414 Ca -0.12 -0.62 0.11 0.00 1.31 0.00 0.00 55.95 56.63 3jtr s SER 414 Cb 0.06 -2.40 -0.04 0.00 0.21 0.00 0.00 66.02 63.86 3jtr s SER 414 CO 0.86 -1.19 -0.27 -0.13 0.41 0.00 0.00 173.24 172.92 3jtr s ARG 415 N 3.65 1.46 -0.30 12.44 1.81 -0.03 0.74 118.95 138.73 3jtr s ARG 415 Ca 0.25 -1.31 -0.07 0.00 -1.72 0.00 0.00 55.73 52.88 3jtr s ARG 415 Cb -0.15 -1.91 0.01 0.00 -0.45 0.00 0.00 34.95 32.45 3jtr s ARG 415 CO 0.16 0.46 0.09 -1.64 -0.68 0.00 0.00 175.30 173.69 3jtr s MET 416 N -1.93 3.07 -0.22 3.54 -1.94 -0.56 -4.01 119.30 117.25 3jtr s MET 416 Ca 0.14 -0.88 0.01 0.00 -1.71 0.00 0.00 55.69 53.24 3jtr s MET 416 Cb -0.10 -3.40 0.05 0.00 2.01 0.00 0.00 34.83 33.39 3jtr s MET 416 CO 0.05 -0.46 -0.06 0.42 -0.01 0.00 0.00 175.02 174.96 3jtr s ILE 417 N 1.50 1.48 -0.07 2.53 1.01 -1.26 -1.98 121.20 124.41 3jtr s ILE 417 Ca 0.02 -1.10 0.02 0.00 0.00 0.00 0.00 60.65 59.59 3jtr s ILE 417 Cb -0.17 -1.71 0.01 0.00 0.01 0.00 0.00 42.46 40.60 3jtr s ILE 417 CO 0.03 -0.03 -0.14 -0.76 0.00 0.00 0.00 174.94 174.04 3jtr s LEU 418 N 1.43 1.71 0.00 2.97 1.43 -0.79 -5.00 118.68 120.44 3jtr s LEU 418 Ca -0.04 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3jtr s LEU 418 Cb -0.18 -0.93 0.00 0.00 0.03 0.00 0.00 46.19 45.11 3jtr s LEU 418 CO -0.07 0.05 0.00 0.59 0.23 0.00 0.00 176.35 177.15 3jtr n ASN 419 N 3.80 0.00 -1.44 2.29 3.02 -1.26 -1.41 115.26 120.26 3jtr n ASN 419 Ca -0.22 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.43 3jtr n ASN 419 Cb 0.52 0.00 0.33 0.00 -0.61 0.00 0.00 39.78 40.02 3jtr n ASN 419 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3jtr n ASP 420 N 2.79 4.24 -4.66 6.41 3.85 -1.26 -4.87 116.55 123.04 3jtr n ASP 420 Ca 0.00 -2.25 -0.39 0.00 -0.71 0.00 0.00 54.79 51.44 3jtr n ASP 420 Cb 0.00 -0.53 -0.07 0.00 -1.35 0.00 0.00 41.12 39.17 3jtr n ASP 420 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3jtr s VAL 421 N -1.53 5.13 -0.20 2.12 1.01 -0.50 -5.05 120.40 121.38 3jtr s VAL 421 Ca 0.48 0.87 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 3jtr s VAL 421 Cb 0.29 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.92 3jtr s VAL 421 CO 0.27 0.19 0.02 0.21 0.00 0.00 0.00 175.10 175.79 3jtr s ASN 422 N 1.16 3.03 0.09 3.32 3.84 -1.26 -1.88 114.94 123.24 3jtr s ASN 422 Ca 0.22 -0.86 0.05 0.00 0.21 0.00 0.00 52.86 52.49 3jtr s ASN 422 Cb -0.15 -0.69 -0.03 0.00 -0.55 0.00 0.00 41.25 39.82 3jtr s ASN 422 CO 0.09 -0.29 -0.14 0.68 -2.79 0.00 0.00 177.10 174.65 3jtr s VAL 423 N 1.78 1.21 0.23 -5.21 -7.23 -0.84 -5.00 120.40 105.35 3jtr s VAL 423 Ca -0.02 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.39 3jtr s VAL 423 Cb -0.17 -1.26 -0.10 0.00 0.56 0.00 0.00 36.38 35.41 3jtr s VAL 423 CO -0.08 -0.29 1.44 -2.16 -0.31 0.00 0.00 175.10 173.70 3jtr s PRO 424 N -2.09 4.28 0.52 4.82 0.04 -1.26 -1.50 135.00 139.81 3jtr s PRO 424 Ca 0.02 2.28 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 3jtr s PRO 424 Cb -0.08 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 3jtr s PRO 424 CO 0.02 -0.42 0.89 0.20 0.04 0.00 0.00 177.00 177.74 3jtr s GLY 425 N 0.44 1.67 0.24 0.56 0.00 0.23 -4.77 107.32 105.69 3jtr s GLY 425 Ca 0.60 -0.25 -0.16 0.00 0.00 0.00 0.00 44.72 44.92 3jtr s GLY 425 CO 0.42 -0.03 0.54 0.00 0.00 0.00 0.00 173.10 174.03 3jtr s ALA 426 N -2.84 -0.62 0.16 3.20 0.00 -1.26 -3.93 121.76 116.47 3jtr s ALA 426 Ca 0.52 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.87 3jtr s ALA 426 Cb -0.11 0.96 0.00 0.00 0.00 0.00 0.00 23.12 23.98 3jtr s ALA 426 CO 0.45 -0.88 0.00 0.00 0.00 0.00 0.00 175.76 175.33 3jtr n ALA 427 N -0.39 -1.82 -2.93 0.00 0.00 0.13 -4.86 120.51 110.65 3jtr n ALA 427 Ca -0.04 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3jtr n ALA 427 Cb 0.61 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3jtr n ALA 427 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jtr n GLY 428 N -2.27 1.20 3.71 0.00 0.00 -1.26 -4.78 105.19 101.80 3jtr n GLY 428 Ca 0.00 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3jtr n GLY 428 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3jtr s TYR 429 N 0.27 3.47 0.22 1.61 1.51 -1.25 -1.70 117.35 121.49 3jtr s TYR 429 Ca 0.00 1.35 -0.07 0.00 -1.01 0.00 0.00 57.07 57.34 3jtr s TYR 429 Cb 0.00 -3.39 0.34 0.00 -0.11 0.00 0.00 41.96 38.80 3jtr s TYR 429 CO 0.00 -1.13 1.75 0.78 -1.11 0.00 0.00 175.55 175.85 3jtr h GLY 430 N 6.71 0.99 1.99 0.71 0.00 -1.89 -1.90 103.07 109.68 3jtr h GLY 430 Ca -0.42 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3jtr h GLY 430 CO 0.80 -0.01 0.00 0.70 0.00 0.00 0.00 176.54 178.03 3jtr n ASN 431 N -4.95 0.00 0.01 0.19 4.13 -1.26 -0.77 115.26 112.61 3jtr n ASN 431 Ca 0.11 0.49 0.12 0.00 1.68 0.00 0.00 54.58 56.97 3jtr n ASN 431 Cb 0.30 -0.49 0.17 0.00 -1.54 0.00 0.00 39.78 38.22 3jtr n ASN 431 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3jtr n LEU 432 N -1.49 0.59 0.00 3.41 4.77 -0.73 -4.49 117.00 119.07 3jtr n LEU 432 Ca 0.03 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3jtr n LEU 432 Cb 0.12 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3jtr n LEU 432 CO 0.10 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.87 3jtr n GLY 433 N 1.46 1.01 3.69 -0.72 0.00 0.05 -0.87 105.19 109.81 3jtr n GLY 433 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3jtr n GLY 433 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3jtr s SER 434 N -0.17 6.94 -0.07 1.61 0.15 -1.09 -4.27 113.70 116.79 3jtr s SER 434 Ca 0.00 1.97 -0.05 0.00 0.70 0.00 0.00 55.95 58.57 3jtr s SER 434 Cb 0.00 -2.56 -0.03 0.00 -1.71 0.00 0.00 66.02 61.73 3jtr s SER 434 CO 0.00 -0.67 0.21 0.15 1.20 0.00 0.00 173.24 174.14 3jtr h PHE 435 N 7.71 -0.16 -2.55 3.44 3.57 -1.69 -3.35 116.94 123.91 3jtr h PHE 435 Ca -0.36 -0.00 -0.53 0.00 3.53 0.00 0.00 57.97 60.61 3jtr h PHE 435 Cb 1.17 0.05 0.05 0.00 2.79 0.00 0.00 35.95 40.01 3jtr h PHE 435 CO 0.75 -0.10 1.04 -2.13 -2.23 0.00 0.00 178.31 175.63 3jtr n ARG 436 N -4.62 2.73 -5.12 1.11 0.63 -0.81 -4.96 116.66 105.63 3jtr n ARG 436 Ca -0.02 0.99 -0.32 0.00 -0.92 0.00 0.00 57.85 57.58 3jtr n ARG 436 Cb 0.07 -2.85 -0.16 0.00 0.45 0.00 0.00 32.46 29.97 3jtr n ARG 436 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3jtr s VAL 437 N 1.82 2.38 -0.19 5.15 1.01 -1.26 -4.03 120.40 125.28 3jtr s VAL 437 Ca 0.78 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 3jtr s VAL 437 Cb -0.51 -1.91 0.06 0.00 0.00 0.00 0.00 36.38 34.02 3jtr s VAL 437 CO 0.35 0.56 0.07 -0.36 0.00 0.00 0.00 175.10 175.72 3jtr s PHE 438 N -0.08 0.60 -0.85 5.22 0.40 -0.69 -0.81 117.98 121.77 3jtr s PHE 438 Ca -0.05 -0.60 -0.21 0.00 -0.60 0.00 0.00 56.93 55.46 3jtr s PHE 438 Cb -0.14 -0.87 0.09 0.00 0.51 0.00 0.00 43.02 42.61 3jtr s PHE 438 CO 0.04 -0.57 1.15 0.99 0.70 0.00 0.00 175.22 177.53 3jtr s THR 439 N 2.00 4.37 0.31 0.64 2.01 0.78 -3.79 115.64 121.96 3jtr s THR 439 Ca 0.01 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.81 3jtr s THR 439 Cb -0.17 -4.82 -0.10 0.00 0.01 0.00 0.00 72.50 67.43 3jtr s THR 439 CO -0.10 -1.60 1.33 0.26 -0.69 0.00 0.00 174.62 173.81 3jtr s TRP 440 N 3.77 3.05 1.04 4.92 0.52 -1.26 -0.73 118.94 130.24 3jtr s TRP 440 Ca 0.32 1.35 -0.12 0.00 0.02 0.00 0.00 56.10 57.67 3jtr s TRP 440 Cb -0.08 -3.70 0.21 0.00 -1.15 0.00 0.00 33.47 28.75 3jtr s TRP 440 CO -0.02 -1.99 1.07 -1.54 0.02 0.00 0.00 176.95 174.49 3jtr s SER 441 N -0.32 2.11 0.49 2.95 1.04 0.16 -4.79 113.70 115.33 3jtr s SER 441 Ca 0.51 1.61 -0.24 0.00 0.48 0.00 0.00 55.95 58.31 3jtr s SER 441 Cb -0.40 -2.28 -0.07 0.00 0.10 0.00 0.00 66.02 63.37 3jtr s SER 441 CO 0.51 -3.51 1.37 -1.81 0.98 0.00 0.00 173.24 170.78 3jtr s ASP 442 N -2.86 5.68 0.61 7.02 1.01 -1.26 -4.66 116.67 122.20 3jtr s ASP 442 Ca 0.67 2.79 -0.16 0.00 0.71 0.00 0.00 52.55 56.56 3jtr s ASP 442 Cb -0.22 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.04 3jtr s ASP 442 CO 0.61 -1.30 1.08 -2.16 0.21 0.00 0.00 175.17 173.61 3jtr s PRO 443 N -2.64 3.15 0.96 8.23 0.04 -1.26 -4.75 135.00 138.73 3jtr s PRO 443 Ca 0.65 1.30 -0.16 0.00 0.04 0.00 0.00 61.00 62.84 3jtr s PRO 443 Cb -0.41 -2.00 0.22 0.00 0.04 0.00 0.00 34.50 32.35 3jtr s PRO 443 CO 0.51 -0.96 1.31 -0.40 0.04 0.00 0.00 177.00 177.50 3jtr n ASP 444 N -2.08 0.16 0.11 6.66 3.85 0.32 -4.84 116.55 120.73 3jtr n ASP 444 Ca 0.10 -1.51 0.08 0.00 -0.71 0.00 0.00 54.79 52.75 3jtr n ASP 444 Cb 0.52 -1.00 0.42 0.00 -1.35 0.00 0.00 41.12 39.72 3jtr n ASP 444 CO 0.00 0.00 0.00 -1.84 -1.01 0.00 0.00 177.20 174.35 3jtr n GLU 445 N -3.76 0.10 -0.51 0.11 0.00 -1.26 0.23 120.64 115.55 3jtr n GLU 445 Ca 0.17 0.57 0.10 0.00 0.00 0.00 0.00 57.16 58.00 3jtr n GLU 445 Cb 0.58 -1.82 0.34 0.00 0.00 0.00 0.00 31.44 30.54 3jtr n GLU 445 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3jtr n ASN 446 N -2.04 4.38 -0.19 -1.84 3.02 -1.26 -4.95 115.26 112.38 3jtr n ASN 446 Ca -0.01 -2.25 -0.03 0.00 -0.03 0.00 0.00 54.58 52.27 3jtr n ASN 446 Cb 0.04 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 38.66 3jtr n ASN 446 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3jtr n GLY 447 N 1.38 0.41 3.73 7.41 0.00 0.13 -5.00 105.19 113.26 3jtr n GLY 447 Ca 0.25 -0.07 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3jtr n GLY 447 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jtr s VAL 448 N -1.57 4.83 0.18 1.61 1.01 -1.26 -4.60 120.40 120.60 3jtr s VAL 448 Ca 0.00 1.62 0.06 0.00 0.00 0.00 0.00 61.98 63.66 3jtr s VAL 448 Cb 0.00 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.22 3jtr s VAL 448 CO 0.00 0.31 -0.12 0.00 0.00 0.00 0.00 175.10 175.30 3jtr s ARG 449 N 0.27 1.23 0.08 2.72 1.70 0.16 -0.52 118.95 124.59 3jtr s ARG 449 Ca 0.40 -1.54 0.01 0.00 -0.47 0.00 0.00 55.73 54.12 3jtr s ARG 449 Cb -0.20 -0.90 -0.04 0.00 -0.57 0.00 0.00 34.95 33.24 3jtr s ARG 449 CO 0.22 0.13 -0.05 0.95 -1.08 0.00 0.00 175.30 175.47 3jtr s THR 450 N -3.13 0.50 0.15 4.99 -4.23 -1.26 -0.85 115.64 111.81 3jtr s THR 450 Ca 0.20 -1.83 -0.31 0.00 -1.18 0.00 0.00 61.69 58.58 3jtr s THR 450 Cb 0.01 -1.55 -0.08 0.00 1.34 0.00 0.00 72.50 72.22 3jtr s THR 450 CO 0.04 -0.89 1.38 -2.84 -0.54 0.00 0.00 174.62 171.77 3jtr s PRO 451 N -3.72 4.33 0.09 3.99 0.02 -1.26 0.38 135.00 138.83 3jtr s PRO 451 Ca 0.09 2.10 0.23 0.00 0.02 0.00 0.00 61.00 63.43 3jtr s PRO 451 Cb 0.05 -3.22 -0.00 0.00 0.02 0.00 0.00 34.50 31.35 3jtr s PRO 451 CO -0.06 -0.40 0.97 1.33 -0.33 0.00 0.00 177.00 178.51 3jtr n VAL 452 N 3.51 0.31 -3.61 3.83 0.24 0.09 -4.82 118.33 117.87 3jtr n VAL 452 Ca 0.10 -0.38 -0.09 0.00 -2.04 0.00 0.00 64.34 61.93 3jtr n VAL 452 Cb 0.42 -0.03 -0.06 0.00 -1.47 0.00 0.00 33.84 32.70 3jtr n VAL 452 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3jtr s HIS 453 N -3.30 -0.35 -5.00 6.34 5.65 -1.25 -1.22 115.29 116.16 3jtr s HIS 453 Ca 0.01 0.74 0.00 0.00 0.25 0.00 0.00 55.06 56.06 3jtr s HIS 453 Cb 0.13 0.42 0.00 0.00 -1.18 0.00 0.00 32.58 31.95 3jtr s HIS 453 CO 0.81 -0.24 0.00 0.41 -0.65 0.00 0.00 174.74 175.07 3jtr n GLY 454 N 1.38 0.50 3.72 1.59 0.00 -1.12 -0.16 105.19 111.10 3jtr n GLY 454 Ca -0.10 -1.51 -0.67 0.00 0.00 0.00 0.00 46.02 43.74 3jtr n GLY 454 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3jtr n GLU 455 N 0.00 0.00 0.00 1.61 -0.58 0.01 -3.63 120.64 118.06 3jtr n GLU 455 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3jtr n GLU 455 Cb 0.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.37 3jtr n GLU 455 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 3jtr n THR 456 N 3.71 0.00 -3.04 2.62 -2.24 -1.24 -4.59 114.28 109.51 3jtr n THR 456 Ca 0.30 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.67 3jtr n THR 456 Cb -0.04 -0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.09 3jtr n THR 456 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3jtr s TRP 457 N 0.00 3.46 -0.14 4.78 -0.11 -1.26 -1.40 118.94 124.27 3jtr s TRP 457 Ca 0.00 1.12 -0.01 0.00 1.22 0.00 0.00 56.10 58.44 3jtr s TRP 457 Cb 0.00 -2.85 0.03 0.00 -1.50 0.00 0.00 33.47 29.15 3jtr s TRP 457 CO 0.00 -0.10 -0.06 0.08 -4.62 0.00 0.00 176.95 172.25 3jtr s VAL 458 N 1.58 1.03 0.02 5.86 1.01 -0.44 -3.56 120.40 125.89 3jtr s VAL 458 Ca 0.34 -0.44 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3jtr s VAL 458 Cb -0.17 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 3jtr s VAL 458 CO 0.13 0.23 -0.07 0.00 0.00 0.00 0.00 175.10 175.40 3jtr s ALA 459 N 1.69 0.57 -0.08 5.51 0.00 -0.22 -0.38 121.76 128.86 3jtr s ALA 459 Ca 0.03 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.50 3jtr s ALA 459 Cb -0.14 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3jtr s ALA 459 CO -0.08 0.07 -0.11 -1.64 0.00 0.00 0.00 175.76 174.00 3jtr s MET 460 N -0.79 1.70 -0.05 0.00 -1.94 0.41 -0.13 119.30 118.49 3jtr s MET 460 Ca -0.03 -0.39 0.04 0.00 -1.71 0.00 0.00 55.69 53.60 3jtr s MET 460 Cb -0.06 -1.48 0.00 0.00 2.01 0.00 0.00 34.83 35.31 3jtr s MET 460 CO 0.00 -0.04 -0.16 0.42 -0.01 0.00 0.00 175.02 175.23 3jtr s ILE 461 N 0.91 1.36 -0.19 2.53 1.09 0.22 -1.42 121.20 125.69 3jtr s ILE 461 Ca -0.10 -0.65 -0.04 0.00 -1.10 0.00 0.00 60.65 58.76 3jtr s ILE 461 Cb -0.15 -1.19 -0.02 0.00 -1.06 0.00 0.00 42.46 40.04 3jtr s ILE 461 CO 0.01 0.40 -0.03 -0.70 -0.10 0.00 0.00 174.94 174.51 3jtr s GLU 462 N 0.25 3.51 -0.86 2.79 2.12 0.16 -0.81 118.70 125.85 3jtr s GLU 462 Ca -0.08 -0.58 -0.07 0.00 0.36 0.00 0.00 54.97 54.60 3jtr s GLU 462 Cb -0.13 -2.98 -0.08 0.00 0.26 0.00 0.00 34.13 31.20 3jtr s GLU 462 CO 0.03 -0.02 3.03 1.19 -0.54 0.00 0.00 175.26 178.95 3jtr n PHE 463 N 4.29 1.56 -1.35 5.30 3.01 -0.35 -2.03 117.46 127.88 3jtr n PHE 463 Ca -0.18 -2.35 -0.23 0.00 1.01 0.00 0.00 57.45 55.71 3jtr n PHE 463 Cb 0.52 -1.90 0.18 0.00 -0.01 0.00 0.00 39.48 38.26 3jtr n PHE 463 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3jtr n SER 464 N 2.42 -0.82 -3.95 4.37 3.41 -1.26 -4.54 113.62 113.24 3jtr n SER 464 Ca 0.59 -1.21 -0.31 0.00 -0.26 0.00 0.00 58.87 57.69 3jtr n SER 464 Cb 0.50 -0.78 -0.15 0.00 -0.26 0.00 0.00 64.21 63.52 3jtr n SER 464 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3jtr s THR 465 N -2.92 1.71 0.86 6.66 2.01 -1.26 -2.22 115.64 120.49 3jtr s THR 465 Ca 0.57 -1.57 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 3jtr s THR 465 Cb -0.03 -2.06 0.11 0.00 0.01 0.00 0.00 72.50 70.52 3jtr s THR 465 CO 0.42 -0.28 1.10 -2.16 -0.69 0.00 0.00 174.62 173.00 3jtr s PRO 466 N 1.26 1.57 0.77 4.92 0.04 -1.26 -5.13 135.00 137.18 3jtr s PRO 466 Ca -0.00 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.58 3jtr s PRO 466 Cb -0.19 -1.86 0.06 0.00 0.04 0.00 0.00 34.50 32.56 3jtr s PRO 466 CO -0.09 -1.99 1.13 0.14 0.04 0.00 0.00 177.00 176.24 3jtr s VAL 467 N -3.07 2.80 -0.11 -0.36 -7.23 -0.94 -4.98 120.40 106.50 3jtr s VAL 467 Ca 0.62 0.31 0.01 0.00 -1.81 0.00 0.00 61.98 61.11 3jtr s VAL 467 Cb -0.16 -2.70 0.02 0.00 0.56 0.00 0.00 36.38 34.09 3jtr s VAL 467 CO 0.55 -0.29 -0.13 -0.13 -0.31 0.00 0.00 175.10 174.79 3jtr s ARG 468 N -4.47 2.04 0.00 4.82 0.52 -0.86 -4.93 118.95 116.07 3jtr s ARG 468 Ca 0.66 -0.49 -0.02 0.00 -0.52 0.00 0.00 55.73 55.36 3jtr s ARG 468 Cb -0.22 -1.79 -0.01 0.00 0.52 0.00 0.00 34.95 33.45 3jtr s ARG 468 CO 0.51 -0.10 0.03 0.00 0.02 0.00 0.00 175.30 175.76 3jtr s ALA 469 N 1.11 -0.06 -0.01 2.13 0.00 -1.26 -0.67 121.76 123.00 3jtr s ALA 469 Ca -0.05 -0.23 0.02 0.00 0.00 0.00 0.00 51.96 51.70 3jtr s ALA 469 Cb -0.14 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.03 3jtr s ALA 469 CO -0.03 -0.12 -0.06 0.71 0.00 0.00 0.00 175.76 176.26 3jtr s TYR 470 N -0.91 0.62 0.19 0.00 1.51 -0.51 -0.50 117.35 117.75 3jtr s TYR 470 Ca -0.10 -0.13 -0.10 0.00 -1.01 0.00 0.00 57.07 55.73 3jtr s TYR 470 Cb -0.06 -0.44 -0.01 0.00 -0.11 0.00 0.00 41.96 41.34 3jtr s TYR 470 CO -0.00 -0.05 0.33 0.20 -1.11 0.00 0.00 175.55 174.92 3jtr s GLY 471 N 0.10 0.55 0.03 0.71 0.00 -0.31 -0.44 107.32 107.97 3jtr s GLY 471 Ca -0.01 -0.92 -0.09 0.00 0.00 0.00 0.00 44.72 43.70 3jtr s GLY 471 CO -0.00 -0.80 0.18 1.08 0.00 0.00 0.00 173.10 173.56 3jtr s LEU 472 N -2.99 1.41 -0.20 0.66 1.43 0.49 -1.49 118.68 117.99 3jtr s LEU 472 Ca 0.20 -0.32 0.01 0.00 -1.03 0.00 0.00 54.13 52.99 3jtr s LEU 472 Cb 0.02 0.89 0.03 0.00 0.03 0.00 0.00 46.19 47.17 3jtr s LEU 472 CO 0.03 -0.51 -0.15 -0.32 0.23 0.00 0.00 176.35 175.63 3jtr s MET 473 N -2.27 2.54 0.15 1.70 -2.45 -1.26 -1.32 119.30 116.39 3jtr s MET 473 Ca -0.07 -0.91 -0.23 0.00 -1.25 0.00 0.00 55.69 53.22 3jtr s MET 473 Cb -0.03 -2.55 0.02 0.00 1.25 0.00 0.00 34.83 33.53 3jtr s MET 473 CO -0.02 -0.34 1.62 0.77 1.05 0.00 0.00 175.02 178.10 3jtr h SER 474 N 7.92 -0.84 -0.87 1.11 0.02 -1.48 -2.55 113.55 116.86 3jtr h SER 474 Ca -0.35 0.15 -0.43 0.00 -0.84 0.00 0.00 61.79 60.31 3jtr h SER 474 Cb 1.11 0.39 -0.25 0.00 0.14 0.00 0.00 62.40 63.78 3jtr h SER 474 CO 0.55 -0.30 0.50 0.00 -1.14 0.00 0.00 176.83 176.45 3jtr n TYR 475 N -5.39 2.72 -1.53 3.45 0.18 -1.26 -3.74 117.16 111.59 3jtr n TYR 475 Ca -0.01 -1.71 0.09 0.00 1.88 0.00 0.00 57.90 58.14 3jtr n TYR 475 Cb 0.30 -0.85 -0.02 0.00 -0.38 0.00 0.00 39.34 38.39 3jtr n TYR 475 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3jtr n GLY 476 N -0.99 -1.95 1.42 -7.48 0.00 -0.96 -4.50 105.19 90.73 3jtr n GLY 476 Ca 0.53 -1.30 0.10 0.00 0.00 0.00 0.00 46.02 45.35 3jtr n GLY 476 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3jtr n ASN 477 N -2.45 4.33 -3.51 1.61 5.15 -0.03 -4.92 115.26 115.43 3jtr n ASN 477 Ca 0.00 -2.26 -0.16 0.00 -0.60 0.00 0.00 54.58 51.56 3jtr n ASN 477 Cb 0.29 -0.52 -0.05 0.00 -0.53 0.00 0.00 39.78 38.97 3jtr n ASN 477 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3jtr s SER 478 N -0.98 -0.59 0.00 1.20 0.15 -0.77 -4.85 113.70 107.85 3jtr s SER 478 Ca 0.48 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.59 3jtr s SER 478 Cb 0.29 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 3jtr s SER 478 CO 0.27 -0.71 0.95 -1.14 1.20 0.00 0.00 173.24 173.81 3jtr n ARG 479 N 0.54 0.00 -2.62 5.44 0.63 -1.26 -3.78 116.66 115.60 3jtr n ARG 479 Ca -0.18 -0.91 -0.41 0.00 -0.92 0.00 0.00 57.85 55.43 3jtr n ARG 479 Cb 0.59 -0.46 -0.05 0.00 0.45 0.00 0.00 32.46 32.99 3jtr n ARG 479 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3jtr s GLN 480 N 0.00 4.69 -0.30 -0.14 -1.52 -1.26 -4.95 119.66 116.18 3jtr s GLN 480 Ca 0.00 1.61 -0.37 0.00 -1.95 0.00 0.00 55.36 54.66 3jtr s GLN 480 Cb 0.00 -3.29 -0.16 0.00 -0.22 0.00 0.00 33.01 29.34 3jtr s GLN 480 CO 0.00 0.23 1.19 -2.30 -0.25 0.00 0.00 175.29 174.16 3jtr n PRO 481 N 2.10 0.00 -0.87 2.91 -0.02 -1.26 -1.35 135.00 136.51 3jtr n PRO 481 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 3jtr n PRO 481 Cb 0.47 -1.22 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 3jtr n PRO 481 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jtr n GLY 482 N 2.73 0.92 3.77 -1.23 0.00 -1.26 -5.03 105.19 105.09 3jtr n GLY 482 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 3jtr n GLY 482 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3jtr s THR 483 N -3.69 2.51 -2.13 2.61 -1.32 -0.46 -4.89 115.64 108.27 3jtr s THR 483 Ca 0.00 0.44 0.19 0.00 -1.21 0.00 0.00 61.69 61.12 3jtr s THR 483 Cb 0.00 -3.25 0.48 0.00 -1.51 0.00 0.00 72.50 68.21 3jtr s THR 483 CO 0.00 0.05 1.61 0.35 -2.21 0.00 0.00 174.62 174.42 3jtr n THR 484 N -0.09 0.11 -1.68 5.08 -2.24 -1.26 -4.23 114.28 109.96 3jtr n THR 484 Ca 0.05 -0.18 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 3jtr n THR 484 Cb 0.44 0.05 0.11 0.00 -2.10 0.00 0.00 70.33 68.82 3jtr n THR 484 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3jtr n HIS 485 N -0.23 2.02 -0.07 4.78 8.25 -1.26 -4.28 115.22 124.43 3jtr n HIS 485 Ca 0.15 -2.08 -0.14 0.00 -0.26 0.00 0.00 57.72 55.38 3jtr n HIS 485 Cb 0.19 -0.57 -0.05 0.00 1.12 0.00 0.00 29.99 30.69 3jtr n HIS 485 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3jtr n TYR 486 N -0.92 0.00 -0.18 4.41 9.36 -1.25 -0.85 117.16 127.74 3jtr n TYR 486 Ca 0.41 0.00 0.12 0.00 3.32 0.00 0.00 57.90 61.75 3jtr n TYR 486 Cb 0.92 -0.49 0.29 0.00 -0.63 0.00 0.00 39.34 39.43 3jtr n TYR 486 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 3jtr n SER 487 N -3.81 3.83 -0.57 2.98 3.41 -1.26 -2.66 113.62 115.53 3jtr n SER 487 Ca -0.25 -2.00 0.05 0.00 -0.26 0.00 0.00 58.87 56.42 3jtr n SER 487 Cb 0.60 -0.42 0.16 0.00 -0.26 0.00 0.00 64.21 64.29 3jtr n SER 487 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3jtr n ASP 488 N 1.62 1.66 0.00 4.04 5.75 -1.26 -3.86 116.55 124.50 3jtr n ASP 488 Ca 0.23 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 53.04 3jtr n ASP 488 Cb 0.62 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.51 3jtr n ASP 488 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jtr n GLN 489 N 0.40 1.57 -0.06 0.11 6.02 -1.26 -4.87 117.38 119.30 3jtr n GLN 489 Ca 0.11 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.10 3jtr n GLN 489 Cb 0.27 -0.90 0.28 0.00 1.02 0.00 0.00 30.24 30.90 3jtr n GLN 489 CO 0.00 0.00 0.00 0.97 -1.01 0.00 0.00 177.06 177.02 3jtr h ILE 490 N 0.00 1.19 -0.34 5.09 6.09 -1.67 -1.01 117.51 126.86 3jtr h ILE 490 Ca 0.00 -0.67 0.01 0.00 -1.37 0.00 0.00 64.86 62.82 3jtr h ILE 490 Cb 0.15 0.73 -0.02 0.00 0.47 0.00 0.00 36.82 38.16 3jtr h ILE 490 CO 0.00 0.25 0.21 -0.08 -3.07 0.00 0.00 178.15 175.46 3jtr h GLU 491 N 0.64 0.43 -0.91 2.19 4.22 -1.89 0.51 114.58 119.76 3jtr h GLU 491 Ca 0.15 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.60 3jtr h GLU 491 Cb 0.23 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 3jtr h GLU 491 CO -0.00 0.28 0.59 0.00 -2.18 0.00 0.00 179.01 177.70 3jtr h ARG 492 N 0.44 1.08 -0.35 1.92 3.08 -1.66 -2.08 114.38 116.81 3jtr h ARG 492 Ca 0.13 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 3jtr h ARG 492 Cb -0.03 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.76 3jtr h ARG 492 CO -0.04 0.72 0.22 0.28 -1.07 0.00 0.00 179.97 180.08 3jtr h VAL 493 N 1.11 1.11 -0.05 2.04 2.07 -0.42 0.17 116.25 122.29 3jtr h VAL 493 Ca 0.37 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3jtr h VAL 493 Cb 0.06 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3jtr h VAL 493 CO -0.12 0.11 0.06 0.77 0.02 0.00 0.00 177.57 178.41 3jtr h SER 494 N 0.47 0.00 -0.27 0.57 4.64 -0.26 -0.75 113.55 117.95 3jtr h SER 494 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3jtr h SER 494 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3jtr h SER 494 CO -0.03 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.47 3jtr n ARG 495 N -3.87 2.34 -3.89 4.77 1.74 -0.87 -4.97 116.66 111.91 3jtr n ARG 495 Ca -0.02 -2.11 -0.27 0.00 -0.77 0.00 0.00 57.85 54.68 3jtr n ARG 495 Cb 0.15 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.13 3jtr n ARG 495 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3jtr n ALA 496 N 1.36 -1.73 -3.51 7.54 0.00 -0.23 -4.92 120.51 119.02 3jtr n ALA 496 Ca 0.17 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.12 3jtr n ALA 496 Cb 0.58 -2.69 -0.04 0.00 0.00 0.00 0.00 19.45 17.29 3jtr n ALA 496 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3jtr s ASP 497 N -3.96 6.37 0.31 0.00 3.68 0.44 -5.02 116.67 118.50 3jtr s ASP 497 Ca 0.27 -3.30 -0.28 0.00 2.13 0.00 0.00 52.55 51.37 3jtr s ASP 497 Cb -0.14 -2.04 -0.09 0.00 -1.45 0.00 0.00 42.92 39.19 3jtr s ASP 497 CO 0.85 -0.33 1.08 -0.36 0.13 0.00 0.00 175.17 176.54 3jtr s PHE 498 N -0.76 3.50 0.29 -5.34 0.40 -1.26 -4.75 117.98 110.06 3jtr s PHE 498 Ca 0.24 1.69 -0.29 0.00 -0.60 0.00 0.00 56.93 57.97 3jtr s PHE 498 Cb -0.11 -3.23 -0.10 0.00 0.51 0.00 0.00 43.02 40.09 3jtr s PHE 498 CO -0.09 -0.55 1.12 1.03 0.70 0.00 0.00 175.22 177.44 3jtr s ARG 499 N -1.75 4.61 0.00 0.44 0.52 -0.56 -4.82 118.95 117.40 3jtr s ARG 499 Ca 0.48 1.86 -0.30 0.00 -0.52 0.00 0.00 55.73 57.25 3jtr s ARG 499 Cb -0.29 -3.17 -0.06 0.00 0.52 0.00 0.00 34.95 31.95 3jtr s ARG 499 CO 0.37 0.16 1.42 -2.00 0.02 0.00 0.00 175.30 175.27 3jtr s GLU 500 N -1.49 4.27 -0.10 3.54 2.12 -1.26 -1.16 118.70 124.63 3jtr s GLU 500 Ca 0.45 1.99 -0.30 0.00 0.36 0.00 0.00 54.97 57.47 3jtr s GLU 500 Cb -0.33 -3.58 -0.01 0.00 0.26 0.00 0.00 34.13 30.47 3jtr s GLU 500 CO 0.43 -0.59 1.01 -0.51 -0.54 0.00 0.00 175.26 175.06 3jtr s LEU 501 N 2.44 4.26 -0.40 2.70 1.43 0.35 -4.92 118.68 124.53 3jtr s LEU 501 Ca 0.64 1.55 -0.15 0.00 -1.03 0.00 0.00 54.13 55.14 3jtr s LEU 501 Cb -0.32 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.36 3jtr s LEU 501 CO 0.27 -0.44 0.31 -0.76 0.23 0.00 0.00 176.35 175.96 3jtr s LEU 502 N 1.94 5.00 -0.21 1.79 1.43 -1.26 -4.57 118.68 122.81 3jtr s LEU 502 Ca 0.49 -0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3jtr s LEU 502 Cb -0.19 -2.18 -0.12 0.00 0.03 0.00 0.00 46.19 43.73 3jtr s LEU 502 CO 0.19 -0.43 -0.21 0.18 0.23 0.00 0.00 176.35 176.31 3jtr n LEU 503 N 5.20 2.58 -4.77 1.79 4.32 -1.26 -4.83 117.00 120.03 3jtr n LEU 503 Ca -0.11 -0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.48 3jtr n LEU 503 Cb 0.47 -0.69 -0.04 0.00 -1.62 0.00 0.00 43.42 41.55 3jtr n LEU 503 CO 0.41 0.73 0.82 -0.13 -1.22 0.00 0.00 177.39 178.00 3jtr s ARG 504 N -2.40 4.42 0.26 3.23 0.52 -1.26 -4.91 118.95 118.81 3jtr s ARG 504 Ca -0.28 1.82 -0.02 0.00 -0.52 0.00 0.00 55.73 56.72 3jtr s ARG 504 Cb 0.08 -2.98 0.42 0.00 0.52 0.00 0.00 34.95 32.99 3jtr s ARG 504 CO 0.44 0.01 1.87 -0.09 0.02 0.00 0.00 175.30 177.55 3jtr h ARG 505 N 3.34 1.09 -0.55 3.54 9.65 -1.99 -2.04 114.38 127.41 3jtr h ARG 505 Ca -0.48 -0.07 -0.02 0.00 -1.10 0.00 0.00 59.98 58.31 3jtr h ARG 505 Cb 1.22 -0.25 -0.03 0.00 -1.39 0.00 0.00 29.97 29.53 3jtr h ARG 505 CO 0.65 0.72 0.24 1.05 2.80 0.00 0.00 179.97 185.43 3jtr h GLU 506 N 1.12 0.78 -0.42 0.20 9.09 -1.99 -1.13 114.58 122.23 3jtr h GLU 506 Ca 0.44 -0.10 -0.13 0.00 0.05 0.00 0.00 59.36 59.61 3jtr h GLU 506 Cb 0.22 -0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 3jtr h GLU 506 CO -0.19 0.63 -0.23 1.96 0.05 0.00 0.00 179.01 181.22 3jtr h GLN 507 N 0.78 0.90 -0.55 1.06 4.20 -1.78 -2.44 115.11 117.27 3jtr h GLN 507 Ca 0.19 -0.41 -0.05 0.00 0.06 0.00 0.00 58.65 58.45 3jtr h GLN 507 Cb 0.12 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3jtr h GLN 507 CO -0.02 1.06 0.16 0.28 -0.67 0.00 0.00 178.83 179.64 3jtr h VAL 508 N 0.73 1.24 -0.65 -0.54 2.07 -1.08 -2.57 116.25 115.45 3jtr h VAL 508 Ca 0.09 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 3jtr h VAL 508 Cb 0.81 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3jtr h VAL 508 CO 0.07 0.31 0.25 -0.33 0.02 0.00 0.00 177.57 177.89 3jtr h GLU 509 N 0.78 0.95 0.00 1.57 5.08 -1.18 -1.75 114.58 120.03 3jtr h GLU 509 Ca 0.18 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 3jtr h GLU 509 Cb 0.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3jtr h GLU 509 CO -0.00 0.78 -0.30 0.00 -1.00 0.00 0.00 179.01 178.49 3jtr h ALA 510 N 1.34 1.39 -0.02 3.43 0.00 -1.20 -3.20 119.26 121.00 3jtr h ALA 510 Ca 0.22 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3jtr h ALA 510 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3jtr h ALA 510 CO -0.02 0.37 -0.36 0.00 0.00 0.00 0.00 179.25 179.24 3jtr n ALA 511 N -2.43 3.29 -1.85 0.00 0.00 -0.95 -4.99 120.51 113.57 3jtr n ALA 511 Ca -0.02 -0.64 -0.41 0.00 0.00 0.00 0.00 53.44 52.37 3jtr n ALA 511 Cb 0.36 -0.76 -0.02 0.00 0.00 0.00 0.00 19.45 19.03 3jtr n ALA 511 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jtr s VAL 512 N -2.28 2.51 0.00 0.00 0.11 -0.70 -4.90 120.40 115.13 3jtr s VAL 512 Ca 0.19 0.42 0.00 0.00 -2.93 0.00 0.00 61.98 59.66 3jtr s VAL 512 Cb 0.18 -3.27 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 3jtr s VAL 512 CO 0.49 0.07 0.00 0.00 -3.33 0.00 0.00 175.10 172.33 3jtr n GLN 513 N 2.40 2.97 -3.72 1.54 1.13 -1.26 -5.02 117.38 115.42 3jtr n GLN 513 Ca 0.08 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 55.01 3jtr n GLN 513 Cb 0.39 -0.76 -0.13 0.00 0.11 0.00 0.00 30.24 29.85 3jtr n GLN 513 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3jtr s GLU 514 N -1.48 0.17 -0.28 -1.09 2.12 -1.26 -5.13 118.70 111.74 3jtr s GLU 514 Ca 0.00 0.52 -0.09 0.00 0.36 0.00 0.00 54.97 55.77 3jtr s GLU 514 Cb 0.00 -0.13 -0.02 0.00 0.26 0.00 0.00 34.13 34.24 3jtr s GLU 514 CO 0.00 -0.18 0.11 1.03 -0.54 0.00 0.00 175.26 175.68 3jtr s ARG 515 N 1.41 3.56 -0.45 4.30 0.52 -1.26 -5.07 118.95 121.96 3jtr s ARG 515 Ca -0.08 -0.56 -0.07 0.00 -0.52 0.00 0.00 55.73 54.51 3jtr s ARG 515 Cb -0.11 -3.45 0.12 0.00 0.52 0.00 0.00 34.95 32.03 3jtr s ARG 515 CO -0.08 -0.28 0.30 0.99 0.02 0.00 0.00 175.30 176.25 3jtr s THR 516 N 1.63 3.90 0.37 0.02 2.01 -1.26 -5.08 115.64 117.23 3jtr s THR 516 Ca 0.06 -1.87 -0.25 0.00 0.31 0.00 0.00 61.69 59.94 3jtr s THR 516 Cb -0.16 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 3jtr s THR 516 CO 0.05 -0.74 1.02 -2.16 -0.69 0.00 0.00 174.62 172.10 3jtr s PRO 517 N 1.29 4.33 0.08 4.92 0.04 -1.26 -5.03 135.00 139.37 3jtr s PRO 517 Ca 0.06 1.45 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 3jtr s PRO 517 Cb -0.25 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.61 3jtr s PRO 517 CO -0.02 0.02 -0.03 -0.59 0.04 0.00 0.00 177.00 176.42 3jtr s PHE 518 N -1.64 0.72 -0.06 0.56 -0.12 -1.26 -5.15 117.98 111.03 3jtr s PHE 518 Ca 0.55 -1.05 -0.03 0.00 -0.05 0.00 0.00 56.93 56.36 3jtr s PHE 518 Cb -0.21 -0.46 0.04 0.00 -0.63 0.00 0.00 43.02 41.76 3jtr s PHE 518 CO 0.26 -0.32 0.13 0.54 -0.05 0.00 0.00 175.22 175.78 3jtr s ASN 519 N -2.99 0.07 -0.13 1.98 2.20 -1.26 -5.14 114.94 109.66 3jtr s ASN 519 Ca 0.12 0.27 0.02 0.00 -0.94 0.00 0.00 52.86 52.33 3jtr s ASN 519 Cb 0.07 0.17 -0.00 0.00 -2.00 0.00 0.00 41.25 39.48 3jtr s ASN 519 CO -0.06 -0.16 -0.18 0.12 -2.94 0.00 0.00 177.10 173.88 3jtr s PHE 520 N 1.36 2.71 -0.05 1.54 2.19 -1.26 -5.10 117.98 119.37 3jtr s PHE 520 Ca -0.07 -0.99 0.01 0.00 0.33 0.00 0.00 56.93 56.20 3jtr s PHE 520 Cb -0.12 -1.82 0.02 0.00 -1.31 0.00 0.00 43.02 39.80 3jtr s PHE 520 CO -0.06 -0.42 -0.04 0.21 1.83 0.00 0.00 175.22 176.74 3jtr s LYS 521 N 0.57 0.86 0.00 10.12 2.47 -1.26 -5.38 119.74 127.12 3jtr s LYS 521 Ca -0.11 -0.09 0.00 0.00 -1.56 0.00 0.00 55.97 54.21 3jtr s LYS 521 Cb -0.16 -0.91 0.00 0.00 -1.46 0.00 0.00 37.83 35.30 3jtr s LYS 521 CO 0.04 -0.12 0.48 -2.30 0.16 0.00 0.00 175.35 173.61