#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtr s GLU 2 N 0.00 1.37 0.02 0.00 1.03 -1.26 -1.99 118.70 117.87 2jtr s GLU 2 Ca 0.00 -1.42 0.01 0.00 0.03 0.00 0.00 54.97 53.59 2jtr s GLU 2 Cb 0.00 0.37 -0.02 0.00 -0.80 0.00 0.00 34.13 33.69 2jtr s GLU 2 CO 0.00 -0.51 -0.05 -1.01 -1.33 0.00 0.00 175.26 172.35 2jtr s HIS 3 N -4.08 0.44 -0.39 4.83 3.76 -1.03 -4.93 115.29 113.89 2jtr s HIS 3 Ca 0.30 -0.39 -0.12 0.00 -0.15 0.00 0.00 55.06 54.70 2jtr s HIS 3 Cb 0.03 -0.28 0.03 0.00 1.11 0.00 0.00 32.58 33.47 2jtr s HIS 3 CO 0.10 -0.09 0.24 -1.58 -0.85 0.00 0.00 174.74 172.55 2jtr s TRP 4 N -1.05 3.24 -0.25 1.40 0.52 -1.26 -1.53 118.94 120.01 2jtr s TRP 4 Ca -0.09 -0.85 0.00 0.00 0.02 0.00 0.00 56.10 55.18 2jtr s TRP 4 Cb -0.08 -2.49 0.07 0.00 -1.15 0.00 0.00 33.47 29.83 2jtr s TRP 4 CO -0.00 -0.63 0.01 0.42 0.02 0.00 0.00 176.95 176.76 2jtr s ILE 5 N 1.59 1.26 0.27 2.03 1.01 -0.89 -1.54 121.20 124.93 2jtr s ILE 5 Ca 0.03 -1.23 -0.29 0.00 0.00 0.00 0.00 60.65 59.15 2jtr s ILE 5 Cb -0.19 -1.70 -0.09 0.00 0.01 0.00 0.00 42.46 40.49 2jtr s ILE 5 CO 0.08 -0.29 1.21 -0.62 0.00 0.00 0.00 174.94 175.32 2jtr s ASP 6 N 1.49 7.03 0.00 3.58 -1.08 -0.21 -3.72 116.67 123.76 2jtr s ASP 6 Ca -0.00 2.41 0.04 0.00 -0.52 0.00 0.00 52.55 54.48 2jtr s ASP 6 Cb -0.18 -2.63 0.11 0.00 -1.46 0.00 0.00 42.92 38.76 2jtr s ASP 6 CO -0.11 -0.36 1.04 1.33 0.52 0.00 0.00 175.17 177.60 2jtr n VAL 7 N 1.53 0.87 -0.92 1.11 0.24 -0.12 -1.24 118.33 119.79 2jtr n VAL 7 Ca 0.01 -0.93 -0.32 0.00 -2.04 0.00 0.00 64.34 61.06 2jtr n VAL 7 Cb 0.44 0.58 0.14 0.00 -1.47 0.00 0.00 33.84 33.53 2jtr n VAL 7 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jtr s ARG 8 N -0.92 1.43 0.55 7.34 1.70 -1.26 -1.37 118.95 126.43 2jtr s ARG 8 Ca 0.09 1.52 -0.20 0.00 -0.47 0.00 0.00 55.73 56.66 2jtr s ARG 8 Cb 0.05 -1.78 -0.06 0.00 -0.57 0.00 0.00 34.95 32.59 2jtr s ARG 8 CO 0.06 -2.32 0.99 1.33 -1.08 0.00 0.00 175.30 174.28 2jtr n VAL 9 N -3.86 3.32 0.07 4.99 0.24 -1.26 -4.15 118.33 117.68 2jtr n VAL 9 Ca 0.12 -0.50 0.02 0.00 -2.04 0.00 0.00 64.34 61.94 2jtr n VAL 9 Cb 0.52 -1.18 0.38 0.00 -1.47 0.00 0.00 33.84 32.09 2jtr n VAL 9 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jtr h PRO 10 N 0.82 0.36 0.00 7.34 0.13 -1.96 -0.11 132.00 138.58 2jtr h PRO 10 Ca -0.48 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 64.55 2jtr h PRO 10 Cb 1.35 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2jtr h PRO 10 CO 0.53 0.41 -0.17 0.93 -0.23 0.00 0.00 178.00 179.46 2jtr h GLU 11 N 0.35 0.00 0.06 0.86 4.39 -2.00 -2.42 114.58 115.82 2jtr h GLU 11 Ca 0.08 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.46 2jtr h GLU 11 Cb 0.28 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2jtr h GLU 11 CO 0.01 0.17 -1.76 0.37 -1.16 0.00 0.00 179.01 176.64 2jtr h GLN 12 N 0.00 0.12 -0.91 2.33 5.75 -1.40 -3.30 115.11 117.69 2jtr h GLN 12 Ca -0.00 -0.21 0.06 0.00 -0.15 0.00 0.00 58.65 58.35 2jtr h GLN 12 Cb 0.59 0.08 -0.06 0.00 1.07 0.00 0.00 27.48 29.16 2jtr h GLN 12 CO 0.02 0.83 0.58 -0.92 -2.65 0.00 0.00 178.83 176.69 2jtr h TYR 13 N 0.03 1.07 0.00 3.99 3.20 -1.11 -0.72 116.97 123.44 2jtr h TYR 13 Ca -0.32 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.56 2jtr h TYR 13 Cb 2.02 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 39.93 2jtr h TYR 13 CO 0.03 0.55 -0.09 1.96 -1.64 0.00 0.00 178.16 178.98 2jtr h GLN 14 N 1.05 0.00 0.02 1.82 4.20 -1.54 -2.83 115.11 117.83 2jtr h GLN 14 Ca 0.39 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 59.10 2jtr h GLN 14 Cb 0.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2jtr h GLN 14 CO -0.17 0.09 -0.01 1.96 -0.67 0.00 0.00 178.83 180.03 2jtr h GLN 15 N 0.00 -0.02 -1.80 1.46 1.08 -1.22 -1.26 115.11 113.34 2jtr h GLN 15 Ca -0.00 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 2jtr h GLN 15 Cb 0.17 0.01 -0.21 0.00 -0.05 0.00 0.00 27.48 27.40 2jtr h GLN 15 CO 0.01 0.60 0.48 -2.00 -0.95 0.00 0.00 178.83 176.96 2jtr s GLU 16 N -3.61 0.72 0.22 1.46 2.12 -0.98 -4.36 118.70 114.28 2jtr s GLU 16 Ca -0.16 0.06 -0.15 0.00 0.36 0.00 0.00 54.97 55.07 2jtr s GLU 16 Cb 0.00 0.34 0.01 0.00 0.26 0.00 0.00 34.13 34.74 2jtr s GLU 16 CO 0.66 -0.25 0.50 -3.38 -0.54 0.00 0.00 175.26 172.25 2jtr s HIS 17 N -1.59 0.13 0.34 5.30 -3.43 -0.26 -4.33 115.29 111.45 2jtr s HIS 17 Ca -0.02 -0.50 -0.29 0.00 -0.80 0.00 0.00 55.06 53.46 2jtr s HIS 17 Cb -0.01 0.29 -0.10 0.00 -1.43 0.00 0.00 32.58 31.34 2jtr s HIS 17 CO 0.00 -0.96 1.34 0.08 -2.00 0.00 0.00 174.74 173.20 2jtr s VAL 18 N -3.95 2.61 0.89 -5.38 1.01 -1.26 -0.93 120.40 113.39 2jtr s VAL 18 Ca 0.16 0.61 -0.11 0.00 0.00 0.00 0.00 61.98 62.64 2jtr s VAL 18 Cb -0.01 -3.39 0.13 0.00 0.00 0.00 0.00 36.38 33.11 2jtr s VAL 18 CO 0.03 0.14 1.11 -1.10 0.00 0.00 0.00 175.10 175.29 2jtr s GLN 19 N -1.80 1.29 -0.78 2.72 -0.21 -0.41 -4.20 119.66 116.26 2jtr s GLN 19 Ca 0.50 1.23 -0.04 0.00 0.02 0.00 0.00 55.36 57.06 2jtr s GLN 19 Cb -0.41 -1.78 0.00 0.00 1.00 0.00 0.00 33.01 31.82 2jtr s GLN 19 CO 0.54 -2.34 0.56 0.41 -2.12 0.00 0.00 175.29 172.35 2jtr n GLY 20 N -0.45 0.10 3.39 3.09 0.00 -1.26 -4.98 105.19 105.07 2jtr n GLY 20 Ca 0.09 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 2jtr n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtr s ALA 21 N -3.09 1.36 0.43 4.61 0.00 -1.26 -4.71 121.76 119.10 2jtr s ALA 21 Ca 0.28 -1.83 0.03 0.00 0.00 0.00 0.00 51.96 50.45 2jtr s ALA 21 Cb -0.12 1.32 -0.03 0.00 0.00 0.00 0.00 23.12 24.29 2jtr s ALA 21 CO 0.35 -0.73 0.06 -1.50 0.00 0.00 0.00 175.76 173.94 2jtr s ILE 22 N -3.19 1.03 -0.04 0.00 2.07 -0.59 -5.03 121.20 115.45 2jtr s ILE 22 Ca 0.36 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.62 2jtr s ILE 22 Cb 0.01 -2.43 0.01 0.00 0.13 0.00 0.00 42.46 40.17 2jtr s ILE 22 CO 0.25 0.00 -0.10 0.21 -1.91 0.00 0.00 174.94 173.39 2jtr s ASN 23 N -3.68 1.37 -0.43 4.50 3.84 -1.26 -1.04 114.94 118.24 2jtr s ASN 23 Ca 0.21 -0.22 0.03 0.00 0.21 0.00 0.00 52.86 53.09 2jtr s ASN 23 Cb 0.04 -0.50 0.16 0.00 -0.55 0.00 0.00 41.25 40.40 2jtr s ASN 23 CO 0.11 0.04 0.31 -0.63 -2.79 0.00 0.00 177.10 174.14 2jtr s ILE 24 N 0.44 0.70 0.53 -5.21 1.01 -0.38 -4.93 121.20 113.36 2jtr s ILE 24 Ca -0.08 -2.56 -0.21 0.00 0.00 0.00 0.00 60.65 57.80 2jtr s ILE 24 Cb -0.12 -1.49 -0.07 0.00 0.01 0.00 0.00 42.46 40.80 2jtr s ILE 24 CO 0.01 -1.10 1.08 -2.65 0.00 0.00 0.00 174.94 172.28 2jtr n PRO 25 N 3.17 1.26 -0.32 2.79 -0.02 -1.26 -4.39 135.00 136.23 2jtr n PRO 25 Ca 0.21 0.47 0.26 0.00 -2.02 0.00 0.00 63.50 62.42 2jtr n PRO 25 Cb 0.42 -2.24 0.58 0.00 -0.02 0.00 0.00 33.50 32.25 2jtr n PRO 25 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2jtr h LEU 26 N 1.08 0.31 -2.04 2.45 5.85 -1.44 0.15 115.31 121.66 2jtr h LEU 26 Ca -0.48 0.06 0.12 0.00 0.84 0.00 0.00 57.88 58.42 2jtr h LEU 26 Cb 1.34 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 2jtr h LEU 26 CO 0.54 0.05 0.34 0.50 -0.34 0.00 0.00 178.44 179.53 2jtr h LYS 27 N 0.27 0.00 0.00 1.25 3.64 -1.90 -3.27 116.57 116.55 2jtr h LYS 27 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 2jtr h LYS 27 Cb 1.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 2jtr h LYS 27 CO -0.21 0.00 0.00 -0.85 -2.27 0.00 0.00 179.45 176.12 2jtr n GLU 28 N -4.17 0.00 -0.35 1.90 0.28 -0.14 -4.95 120.64 113.21 2jtr n GLU 28 Ca 0.07 -0.14 0.08 0.00 -0.16 0.00 0.00 57.16 57.01 2jtr n GLU 28 Cb 0.53 -0.50 0.26 0.00 1.43 0.00 0.00 31.44 33.16 2jtr n GLU 28 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 177.13 176.73 2jtr h VAL 29 N 1.56 0.90 -0.12 3.84 3.04 -0.85 -0.90 116.25 123.72 2jtr h VAL 29 Ca 0.00 -0.33 0.03 0.00 -1.01 0.00 0.00 66.70 65.40 2jtr h VAL 29 Cb 0.64 -0.13 -0.00 0.00 -2.01 0.00 0.00 31.29 29.78 2jtr h VAL 29 CO 0.00 0.17 0.09 0.11 -1.01 0.00 0.00 177.57 176.93 2jtr h LYS 30 N 0.95 0.00 0.00 4.17 1.57 -1.87 0.67 116.57 122.06 2jtr h LYS 30 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2jtr h LYS 30 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2jtr h LYS 30 CO -0.27 0.00 0.00 1.49 -0.57 0.00 0.00 179.45 180.10 2jtr h GLU 31 N 0.00 0.00 0.00 3.15 4.57 -1.57 -3.40 114.58 117.33 2jtr h GLU 31 Ca 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2jtr h GLU 31 Cb 0.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2jtr h GLU 31 CO -0.00 0.00 -0.72 0.54 -1.18 0.00 0.00 179.01 177.65 2jtr n ARG 32 N -2.58 0.89 -0.15 1.92 1.74 -0.53 -4.82 116.66 113.13 2jtr n ARG 32 Ca 0.04 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.13 2jtr n ARG 32 Cb 0.43 -0.86 0.28 0.00 -1.02 0.00 0.00 32.46 31.29 2jtr n ARG 32 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 2jtr h ILE 33 N 0.00 1.18 0.00 0.55 6.09 -1.13 0.70 117.51 124.90 2jtr h ILE 33 Ca 0.00 -0.39 0.00 0.00 -1.37 0.00 0.00 64.86 63.10 2jtr h ILE 33 Cb 0.72 0.29 0.00 0.00 0.47 0.00 0.00 36.82 38.30 2jtr h ILE 33 CO 0.00 0.19 0.00 0.00 -3.07 0.00 0.00 178.15 175.27 2jtr n ALA 34 N -2.44 1.30 0.00 0.18 0.00 -1.26 -0.90 120.51 117.38 2jtr n ALA 34 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2jtr n ALA 34 Cb 0.07 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2jtr n ALA 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jtr n THR 35 N -1.38 0.00 -0.10 0.00 -1.04 -0.37 -4.10 114.28 107.29 2jtr n THR 35 Ca 0.02 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.94 2jtr n THR 35 Cb 0.04 -0.61 0.07 0.00 -1.82 0.00 0.00 70.33 68.01 2jtr n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jtr h ALA 36 N 0.00 0.83 -2.22 2.41 0.00 -0.76 -3.37 119.26 116.15 2jtr h ALA 36 Ca 0.00 -0.38 -0.58 0.00 0.00 0.00 0.00 54.91 53.95 2jtr h ALA 36 Cb 0.70 -0.15 -0.39 0.00 0.00 0.00 0.00 17.79 17.95 2jtr h ALA 36 CO 0.00 0.64 -1.02 0.28 0.00 0.00 0.00 179.25 179.15 2jtr n VAL 37 N -4.10 -0.91 -0.01 0.00 0.31 -0.08 -5.01 118.33 108.51 2jtr n VAL 37 Ca -0.00 -3.72 -0.06 0.00 -0.01 0.00 0.00 64.34 60.55 2jtr n VAL 37 Cb 0.45 -1.80 0.13 0.00 -0.91 0.00 0.00 33.84 31.71 2jtr n VAL 37 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jtr h PRO 38 N 4.92 0.57 -6.36 5.55 0.13 -1.71 -3.41 132.00 131.68 2jtr h PRO 38 Ca 0.18 -0.26 -0.57 0.00 -0.87 0.00 0.00 66.00 64.49 2jtr h PRO 38 Cb 0.89 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 31.97 2jtr h PRO 38 CO 0.42 0.83 1.04 0.34 -0.23 0.00 0.00 178.00 180.40 2jtr s ASP 39 N -6.82 6.50 0.59 1.44 2.15 -1.26 -4.90 116.67 114.36 2jtr s ASP 39 Ca -0.08 1.25 0.37 0.00 0.43 0.00 0.00 52.55 54.52 2jtr s ASP 39 Cb 0.13 -2.54 1.78 0.00 -0.30 0.00 0.00 42.92 41.99 2jtr s ASP 39 CO 0.82 -1.22 2.15 0.11 -0.17 0.00 0.00 175.17 176.85 2jtr h LYS 40 N 10.09 0.00 0.00 4.34 1.79 -1.91 -1.87 116.57 129.01 2jtr h LYS 40 Ca -0.29 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.16 2jtr h LYS 40 Cb 1.12 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.76 2jtr h LYS 40 CO 1.03 0.03 -0.13 -0.97 -1.08 0.00 0.00 179.45 178.33 2jtr h ASN 41 N 0.00 0.00 -3.98 0.86 -1.24 -1.90 -3.23 115.58 106.09 2jtr h ASN 41 Ca -0.00 0.00 -0.48 0.00 0.71 0.00 0.00 56.30 56.53 2jtr h ASN 41 Cb 0.29 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.37 2jtr h ASN 41 CO 0.00 0.13 0.42 -0.62 -1.29 0.00 0.00 177.43 176.07 2jtr s ASP 42 N -6.09 6.61 0.41 1.15 2.15 -0.71 -4.78 116.67 115.41 2jtr s ASP 42 Ca 0.03 2.07 -0.23 0.00 0.43 0.00 0.00 52.55 54.85 2jtr s ASP 42 Cb 0.08 -2.59 -0.09 0.00 -0.30 0.00 0.00 42.92 40.02 2jtr s ASP 42 CO 0.64 -0.59 1.05 -0.89 -0.17 0.00 0.00 175.17 175.20 2jtr s THR 43 N -1.68 3.74 -0.33 1.71 2.01 -0.84 -4.66 115.64 115.59 2jtr s THR 43 Ca 0.60 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.89 2jtr s THR 43 Cb -0.22 -3.65 0.11 0.00 0.01 0.00 0.00 72.50 68.74 2jtr s THR 43 CO 0.28 -0.03 0.12 -0.69 -0.69 0.00 0.00 174.62 173.61 2jtr s VAL 44 N -1.71 1.07 -0.08 3.82 1.01 -0.32 -2.47 120.40 121.71 2jtr s VAL 44 Ca 0.59 -1.67 -0.30 0.00 0.00 0.00 0.00 61.98 60.60 2jtr s VAL 44 Cb -0.21 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 2jtr s VAL 44 CO 0.26 -0.71 1.30 -0.54 0.00 0.00 0.00 175.10 175.41 2jtr s LYS 45 N 1.35 4.28 -0.01 2.72 -0.14 -0.58 -1.15 119.74 126.21 2jtr s LYS 45 Ca 0.11 1.77 0.06 0.00 -1.36 0.00 0.00 55.97 56.55 2jtr s LYS 45 Cb -0.19 -3.66 -0.01 0.00 -1.68 0.00 0.00 37.83 32.29 2jtr s LYS 45 CO -0.19 -0.59 -0.18 0.14 -0.76 0.00 0.00 175.35 173.77 2jtr s VAL 46 N 2.81 1.39 0.03 3.17 -7.23 -0.35 -2.09 120.40 118.13 2jtr s VAL 46 Ca 0.58 -0.80 -0.27 0.00 -1.81 0.00 0.00 61.98 59.68 2jtr s VAL 46 Cb -0.26 -1.17 0.09 0.00 0.56 0.00 0.00 36.38 35.61 2jtr s VAL 46 CO 0.21 0.35 0.78 -0.72 -0.31 0.00 0.00 175.10 175.41 2jtr s TYR 47 N -0.47 -0.45 0.02 2.82 -0.85 -1.24 -0.96 117.35 116.21 2jtr s TYR 47 Ca 0.07 0.41 -0.01 0.00 -0.52 0.00 0.00 57.07 57.01 2jtr s TYR 47 Cb -0.07 0.52 0.01 0.00 0.38 0.00 0.00 41.96 42.80 2jtr s TYR 47 CO -0.00 -0.63 0.07 0.00 -1.52 0.00 0.00 175.55 173.47 2jtr s ASN 49 N -1.17 6.80 -0.85 0.00 3.84 -1.26 -2.68 114.94 119.62 2jtr s ASN 49 Ca 0.01 2.44 0.00 0.00 0.21 0.00 0.00 52.86 55.52 2jtr s ASN 49 Cb -0.00 -2.60 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 2jtr s ASN 49 CO 0.01 -0.63 0.00 0.00 -2.79 0.00 0.00 177.10 173.68 2jtr n ALA 50 N 3.21 -0.12 0.00 1.71 0.00 -1.26 -3.57 120.51 120.47 2jtr n ALA 50 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.66 2jtr n ALA 50 Cb 0.42 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.67 2jtr n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtr n GLY 51 N 0.08 1.07 0.33 0.00 0.00 -1.24 -4.82 105.19 100.61 2jtr n GLY 51 Ca -0.08 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.87 2jtr n GLY 51 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jtr h ARG 52 N 0.56 1.17 0.00 1.61 2.47 -1.90 -0.16 114.38 118.13 2jtr h ARG 52 Ca 0.00 -0.24 -0.04 0.00 -1.26 0.00 0.00 59.98 58.43 2jtr h ARG 52 Cb 0.00 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.14 2jtr h ARG 52 CO 0.00 0.98 -0.21 1.96 0.56 0.00 0.00 179.97 183.26 2jtr h GLN 53 N 1.12 0.00 0.14 0.04 7.50 -1.88 -0.12 115.11 121.92 2jtr h GLN 53 Ca 0.25 0.00 -0.21 0.00 0.50 0.00 0.00 58.65 59.19 2jtr h GLN 53 Cb 0.29 0.00 0.02 0.00 0.05 0.00 0.00 27.48 27.84 2jtr h GLN 53 CO -0.01 0.21 -0.91 0.77 -1.50 0.00 0.00 178.83 177.39 2jtr h SER 54 N 0.00 0.56 -0.73 1.46 0.02 -1.50 0.17 113.55 113.52 2jtr h SER 54 Ca -0.00 -0.92 0.05 0.00 -0.84 0.00 0.00 61.79 60.08 2jtr h SER 54 Cb 0.45 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 62.76 2jtr h SER 54 CO 0.03 1.43 0.43 1.23 -1.14 0.00 0.00 176.83 178.81 2jtr h GLY 55 N -0.23 1.08 0.99 -3.77 0.00 -0.91 -0.51 103.07 99.71 2jtr h GLY 55 Ca -0.15 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 2jtr h GLY 55 CO 0.17 0.21 0.04 -1.61 0.00 0.00 0.00 176.54 175.35 2jtr h GLN 56 N 0.81 0.82 -0.80 4.80 5.75 -1.05 -3.10 115.11 122.35 2jtr h GLN 56 Ca 0.32 -0.24 -0.03 0.00 -0.15 0.00 0.00 58.65 58.55 2jtr h GLN 56 Cb 0.15 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.57 2jtr h GLN 56 CO -0.16 0.85 0.39 0.00 -2.65 0.00 0.00 178.83 177.26 2jtr h ALA 57 N 0.94 1.19 -0.96 3.38 0.00 -0.29 -2.61 119.26 120.92 2jtr h ALA 57 Ca 0.14 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2jtr h ALA 57 Cb 0.45 -0.32 -0.08 0.00 0.00 0.00 0.00 17.79 17.85 2jtr h ALA 57 CO 0.02 0.62 0.61 0.87 0.00 0.00 0.00 179.25 181.37 2jtr h LYS 58 N 1.13 0.91 0.25 0.00 1.57 -1.03 0.16 116.57 119.55 2jtr h LYS 58 Ca 0.28 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2jtr h LYS 58 Cb 0.10 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2jtr h LYS 58 CO -0.04 0.60 -0.12 0.93 -0.57 0.00 0.00 179.45 180.25 2jtr h GLU 59 N 0.93 -0.33 -0.18 3.15 4.39 -1.51 -1.10 114.58 119.94 2jtr h GLU 59 Ca 0.46 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 60.08 2jtr h GLU 59 Cb 0.48 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2jtr h GLU 59 CO -0.22 -0.01 -0.33 -0.84 -1.16 0.00 0.00 179.01 176.44 2jtr h ILE 60 N -0.68 1.28 -0.22 3.13 3.07 -1.45 -1.80 117.51 120.86 2jtr h ILE 60 Ca -0.03 -1.39 -0.14 0.00 1.55 0.00 0.00 64.86 64.84 2jtr h ILE 60 Cb 0.47 1.51 -0.01 0.00 -0.27 0.00 0.00 36.82 38.52 2jtr h ILE 60 CO 0.06 0.43 -0.45 -0.07 -1.05 0.00 0.00 178.15 177.06 2jtr h LEU 61 N 0.33 0.59 -0.89 0.16 3.38 -0.97 0.08 115.31 117.99 2jtr h LEU 61 Ca 0.04 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2jtr h LEU 61 Cb 0.75 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2jtr h LEU 61 CO 0.06 0.96 0.39 0.28 0.09 0.00 0.00 178.44 180.22 2jtr h SER 62 N 0.45 1.08 -0.56 -0.43 0.02 -0.81 -0.74 113.55 112.56 2jtr h SER 62 Ca 0.03 -0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 60.76 2jtr h SER 62 Cb 0.97 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 2jtr h SER 62 CO 0.09 0.92 0.04 -0.08 -1.14 0.00 0.00 176.83 176.66 2jtr h GLU 63 N 1.18 0.99 0.00 3.45 4.57 -0.87 -1.74 114.58 122.17 2jtr h GLU 63 Ca 0.28 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jtr h GLU 63 Cb 0.13 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 2jtr h GLU 63 CO -0.03 0.95 0.00 -1.33 -1.18 0.00 0.00 179.01 177.41 2jtr n MET 64 N -4.20 0.00 0.00 1.92 2.81 -0.03 -4.89 117.12 112.73 2jtr n MET 64 Ca 0.03 0.24 0.00 0.00 -1.81 0.00 0.00 57.70 56.16 2jtr n MET 64 Cb 0.31 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.32 2jtr n MET 64 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jtr n GLY 65 N 0.06 0.68 3.77 3.03 0.00 -0.51 -5.05 105.19 107.16 2jtr n GLY 65 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 2jtr n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtr s TYR 66 N -2.00 2.74 0.00 1.61 1.51 -0.40 -4.88 117.35 115.93 2jtr s TYR 66 Ca 0.00 1.49 0.00 0.00 -1.01 0.00 0.00 57.07 57.55 2jtr s TYR 66 Cb 0.00 -3.50 0.00 0.00 -0.11 0.00 0.00 41.96 38.35 2jtr s TYR 66 CO 0.00 -1.87 0.61 0.25 -1.11 0.00 0.00 175.55 173.43 2jtr n THR 67 N -0.54 0.35 -2.40 -0.71 -2.24 -1.22 -4.15 114.28 103.36 2jtr n THR 67 Ca 0.08 -0.39 0.03 0.00 -2.27 0.00 0.00 64.05 61.50 2jtr n THR 67 Cb 0.47 0.95 0.05 0.00 -2.10 0.00 0.00 70.33 69.69 2jtr n THR 67 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2jtr n HIS 68 N -0.17 0.15 -2.52 4.78 8.25 -1.26 -5.06 115.22 119.39 2jtr n HIS 68 Ca 0.00 -0.80 -0.39 0.00 -0.26 0.00 0.00 57.72 56.26 2jtr n HIS 68 Cb 0.34 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.23 2jtr n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jtr s VAL 69 N -0.84 3.61 -0.06 1.59 1.01 -1.26 -1.18 120.40 123.28 2jtr s VAL 69 Ca 0.34 1.52 -0.02 0.00 0.00 0.00 0.00 61.98 63.82 2jtr s VAL 69 Cb 0.38 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.87 2jtr s VAL 69 CO -0.14 0.28 0.11 -0.70 0.00 0.00 0.00 175.10 174.65 2jtr s GLU 70 N -1.69 0.01 -0.45 2.72 2.12 -0.30 -4.90 118.70 116.21 2jtr s GLU 70 Ca 0.47 0.40 -0.29 0.00 0.36 0.00 0.00 54.97 55.92 2jtr s GLU 70 Cb -0.29 -0.29 0.01 0.00 0.26 0.00 0.00 34.13 33.82 2jtr s GLU 70 CO 0.37 -0.25 1.41 1.21 -0.54 0.00 0.00 175.26 177.46 2jtr s ASN 71 N 1.72 6.28 0.41 -1.70 3.04 -1.26 -1.21 114.94 122.22 2jtr s ASN 71 Ca -0.02 0.67 0.16 0.00 0.04 0.00 0.00 52.86 53.70 2jtr s ASN 71 Cb -0.12 -2.54 0.87 0.00 -1.54 0.00 0.00 41.25 37.92 2jtr s ASN 71 CO -0.05 -1.51 1.88 0.00 -3.04 0.00 0.00 177.10 174.39 2jtr h ALA 72 N 10.79 1.40 0.00 1.71 0.00 -1.41 -3.47 119.26 128.27 2jtr h ALA 72 Ca -0.27 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jtr h ALA 72 Cb 1.10 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2jtr h ALA 72 CO 1.11 0.38 0.00 0.41 0.00 0.00 0.00 179.25 181.15 2jtr n GLY 73 N -0.54 0.22 3.28 0.00 0.00 -1.26 -4.82 105.19 102.07 2jtr n GLY 73 Ca -0.02 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.69 2jtr n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtr s GLY 74 N 0.00 2.04 0.21 -0.02 0.00 -1.26 -3.84 107.32 104.44 2jtr s GLY 74 Ca 0.00 -1.86 -0.17 0.00 0.00 0.00 0.00 44.72 42.69 2jtr s GLY 74 CO 0.00 -1.50 1.59 -2.00 0.00 0.00 0.00 173.10 171.19 2jtr h LEU 75 N 2.27 -1.01 -0.35 0.66 7.12 -1.88 -1.03 115.31 121.09 2jtr h LEU 75 Ca -0.31 0.24 -0.19 0.00 0.13 0.00 0.00 57.88 57.75 2jtr h LEU 75 Cb 1.24 0.55 -0.00 0.00 -0.53 0.00 0.00 40.66 41.92 2jtr h LEU 75 CO 0.46 -0.28 -0.72 0.50 -0.13 0.00 0.00 178.44 178.26 2jtr h LYS 76 N -0.08 0.52 -0.07 1.25 3.64 -1.98 -3.31 116.57 116.53 2jtr h LYS 76 Ca 0.30 -0.41 -0.23 0.00 -1.27 0.00 0.00 60.65 59.03 2jtr h LYS 76 Cb 0.56 0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2jtr h LYS 76 CO -0.75 1.04 -0.89 0.22 -2.27 0.00 0.00 179.45 176.80 2jtr h ASP 77 N 0.36 0.81 -2.86 4.20 3.58 -1.65 -3.44 116.42 117.41 2jtr h ASP 77 Ca -0.03 -0.59 -0.53 0.00 0.42 0.00 0.00 57.03 56.30 2jtr h ASP 77 Cb 1.31 -0.24 0.03 0.00 1.72 0.00 0.00 39.33 42.14 2jtr h ASP 77 CO 0.13 1.38 0.85 -0.63 -2.88 0.00 0.00 179.24 178.09 2jtr s ILE 78 N -3.50 3.08 -0.75 2.25 1.01 -0.51 -4.92 121.20 117.86 2jtr s ILE 78 Ca -0.09 0.70 0.26 0.00 0.00 0.00 0.00 60.65 61.52 2jtr s ILE 78 Cb 0.08 -3.45 0.20 0.00 0.01 0.00 0.00 42.46 39.30 2jtr s ILE 78 CO 0.90 0.03 1.64 0.00 0.00 0.00 0.00 174.94 177.51 2jtr n ALA 79 N 4.49 2.54 -1.19 9.38 0.00 -1.26 -4.92 120.51 129.55 2jtr n ALA 79 Ca 0.13 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 2jtr n ALA 79 Cb 0.41 -1.36 0.11 0.00 0.00 0.00 0.00 19.45 18.60 2jtr n ALA 79 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jtr s MET 80 N -3.10 1.92 0.97 0.00 -1.94 -1.26 -5.01 119.30 110.87 2jtr s MET 80 Ca 0.10 1.60 -0.12 0.00 -1.71 0.00 0.00 55.69 55.56 2jtr s MET 80 Cb 0.14 -1.82 0.12 0.00 2.01 0.00 0.00 34.83 35.27 2jtr s MET 80 CO 0.63 -1.97 0.76 -2.30 -0.01 0.00 0.00 175.02 172.13 2jtr n PRO 81 N -3.18 -0.69 -4.17 2.03 -0.02 -1.26 -4.89 135.00 122.82 2jtr n PRO 81 Ca 0.12 -0.15 -0.11 0.00 -2.02 0.00 0.00 63.50 61.34 2jtr n PRO 81 Cb 0.51 -2.10 -0.10 0.00 -0.02 0.00 0.00 33.50 31.79 2jtr n PRO 81 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jtr s LYS 82 N -4.13 0.83 0.15 -0.52 3.01 -1.26 -1.29 119.74 116.52 2jtr s LYS 82 Ca 0.62 -1.31 -0.07 0.00 -1.01 0.00 0.00 55.97 54.21 2jtr s LYS 82 Cb -0.22 -0.24 -0.02 0.00 -1.01 0.00 0.00 37.83 36.34 2jtr s LYS 82 CO 0.63 -0.01 0.21 0.54 0.51 0.00 0.00 175.35 177.24 2jtr s VAL 83 N -3.46 0.08 0.25 3.17 0.11 -0.11 -4.76 120.40 115.69 2jtr s VAL 83 Ca 0.11 -1.51 0.08 0.00 -2.93 0.00 0.00 61.98 57.73 2jtr s VAL 83 Cb 0.04 -1.85 -0.05 0.00 -1.53 0.00 0.00 36.38 32.99 2jtr s VAL 83 CO -0.04 -0.38 -0.13 -0.54 -3.33 0.00 0.00 175.10 170.68 2jtr s LYS 84 N -3.98 1.49 0.00 1.54 1.02 -1.26 -1.10 119.74 117.45 2jtr s LYS 84 Ca 0.18 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.46 2jtr s LYS 84 Cb 0.05 -1.28 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 2jtr s LYS 84 CO -0.01 0.16 0.43 0.41 -0.92 0.00 0.00 175.35 175.43