#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 0.68 -0.04 0.00 -1.05 -1.26 -1.09 118.70 115.95 2jtr s GLU 2 Ca 0.00 -0.90 -0.02 0.00 -0.15 0.00 0.00 54.97 53.90 2jtr s GLU 2 Cb 0.00 0.27 0.03 0.00 -0.44 0.00 0.00 34.13 33.99 2jtr s GLU 2 CO 0.00 -0.18 0.05 -1.01 0.95 0.00 0.00 175.26 175.07 2jtr s HIS 3 N -3.28 0.06 -0.24 4.83 3.76 -0.71 -4.88 115.29 114.82 2jtr s HIS 3 Ca 0.01 0.23 -0.29 0.00 -0.15 0.00 0.00 55.06 54.86 2jtr s HIS 3 Cb 0.03 -0.43 0.01 0.00 1.11 0.00 0.00 32.58 33.29 2jtr s HIS 3 CO -0.08 -0.17 1.10 -1.58 -0.85 0.00 0.00 174.74 173.16 2jtr s TRP 4 N 1.95 3.17 -0.28 1.40 0.52 -1.26 -1.35 118.94 123.09 2jtr s TRP 4 Ca 0.02 1.29 0.01 0.00 0.02 0.00 0.00 56.10 57.44 2jtr s TRP 4 Cb -0.12 -3.44 0.08 0.00 -1.15 0.00 0.00 33.47 28.84 2jtr s TRP 4 CO -0.03 -0.83 0.03 0.42 0.02 0.00 0.00 176.95 176.56 2jtr s ILE 5 N 3.42 1.37 0.01 2.03 1.01 -0.23 -1.29 121.20 127.52 2jtr s ILE 5 Ca 0.47 -1.47 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 2jtr s ILE 5 Cb -0.16 -1.88 -0.06 0.00 0.01 0.00 0.00 42.46 40.37 2jtr s ILE 5 CO 0.11 -0.43 1.48 -0.62 0.00 0.00 0.00 174.94 175.48 2jtr s ASP 6 N 1.41 6.77 0.00 3.58 -1.08 0.14 -2.29 116.67 125.19 2jtr s ASP 6 Ca 0.04 2.22 0.10 0.00 -0.52 0.00 0.00 52.55 54.39 2jtr s ASP 6 Cb -0.18 -2.56 0.22 0.00 -1.46 0.00 0.00 42.92 38.94 2jtr s ASP 6 CO -0.14 -0.78 1.10 1.33 0.52 0.00 0.00 175.17 177.20 2jtr n VAL 7 N 4.75 0.65 -0.89 1.11 0.24 0.36 -1.01 118.33 123.53 2jtr n VAL 7 Ca 0.14 -0.82 -0.31 0.00 -2.04 0.00 0.00 64.34 61.31 2jtr n VAL 7 Cb 0.43 0.75 0.14 0.00 -1.47 0.00 0.00 33.84 33.69 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 -0.96 1.39 0.57 7.34 1.70 -1.25 -0.89 118.95 126.84 2jtr s ARG 8 Ca 0.19 1.39 -0.20 0.00 -0.47 0.00 0.00 55.73 56.64 2jtr s ARG 8 Cb 0.11 -1.78 -0.05 0.00 -0.57 0.00 0.00 34.95 32.66 2jtr s ARG 8 CO 0.14 -2.32 1.14 1.33 -1.08 0.00 0.00 175.30 174.51 2jtr n VAL 9 N -4.01 3.80 0.07 4.99 0.24 -1.26 -4.22 118.33 117.94 2jtr n VAL 9 Ca 0.11 -0.50 0.02 0.00 -2.04 0.00 0.00 64.34 61.93 2jtr n VAL 9 Cb 0.52 -1.36 0.38 0.00 -1.47 0.00 0.00 33.84 31.91 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 0.89 0.35 0.00 7.34 0.13 -1.98 -0.52 132.00 138.21 2jtr h PRO 10 Ca -0.49 -0.07 -0.08 0.00 -0.87 0.00 0.00 66.00 64.49 2jtr h PRO 10 Cb 1.34 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2jtr h PRO 10 CO 0.54 0.41 -0.39 0.93 -0.23 0.00 0.00 178.00 179.26 2jtr h GLU 11 N 0.34 0.00 0.10 0.86 5.08 -2.01 -2.93 114.58 116.02 2jtr h GLU 11 Ca 0.08 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.14 2jtr h GLU 11 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2jtr h GLU 11 CO 0.01 0.39 -1.49 1.96 -1.00 0.00 0.00 179.01 178.88 2jtr h GLN 12 N 0.00 0.21 -0.53 2.33 4.20 -1.49 -3.34 115.11 116.49 2jtr h GLN 12 Ca -0.00 -0.36 0.07 0.00 0.06 0.00 0.00 58.65 58.41 2jtr h GLN 12 Cb 0.80 0.13 -0.06 0.00 0.30 0.00 0.00 27.48 28.66 2jtr h GLN 12 CO 0.05 1.06 0.20 -0.92 -0.67 0.00 0.00 178.83 178.56 2jtr h TYR 13 N 0.06 0.36 0.00 2.96 3.20 -1.10 -2.44 116.97 120.00 2jtr h TYR 13 Ca -0.22 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.66 2jtr h TYR 13 Cb 1.99 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 40.18 2jtr h TYR 13 CO 0.05 0.12 -0.04 1.96 -1.64 0.00 0.00 178.16 178.62 2jtr h GLN 14 N 0.39 0.00 -0.34 1.82 4.20 -1.63 -3.17 115.11 116.39 2jtr h GLN 14 Ca 0.25 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.92 2jtr h GLN 14 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2jtr h GLN 14 CO -0.24 0.04 0.05 1.96 -0.67 0.00 0.00 178.83 179.97 2jtr h GLN 15 N 0.00 0.56 -1.37 1.46 1.08 -1.58 -1.21 115.11 114.04 2jtr h GLN 15 Ca -0.00 -0.15 0.12 0.00 -1.45 0.00 0.00 58.65 57.17 2jtr h GLN 15 Cb 0.18 -0.06 -0.29 0.00 -0.05 0.00 0.00 27.48 27.26 2jtr h GLN 15 CO 0.01 0.64 0.62 -2.00 -0.95 0.00 0.00 178.83 177.15 2jtr s GLU 16 N -5.18 0.30 0.10 1.46 2.12 -1.20 -4.64 118.70 111.67 2jtr s GLU 16 Ca -0.13 0.38 -0.09 0.00 0.36 0.00 0.00 54.97 55.49 2jtr s GLU 16 Cb 0.09 0.13 -0.00 0.00 0.26 0.00 0.00 34.13 34.61 2jtr s GLU 16 CO 0.76 -0.04 0.20 -3.38 -0.54 0.00 0.00 175.26 172.26 2jtr s HIS 17 N 0.34 0.17 0.14 5.30 -3.43 0.02 -4.86 115.29 112.98 2jtr s HIS 17 Ca 0.03 -0.59 -0.31 0.00 -0.80 0.00 0.00 55.06 53.38 2jtr s HIS 17 Cb -0.05 -0.05 -0.10 0.00 -1.43 0.00 0.00 32.58 30.95 2jtr s HIS 17 CO -0.11 -0.57 1.69 0.08 -2.00 0.00 0.00 174.74 173.84 2jtr s VAL 18 N -3.87 2.54 0.52 -5.38 1.01 -1.26 -0.89 120.40 113.07 2jtr s VAL 18 Ca 0.06 0.25 -0.23 0.00 0.00 0.00 0.00 61.98 62.06 2jtr s VAL 18 Cb 0.05 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 2jtr s VAL 18 CO -0.10 0.01 1.35 0.00 0.00 0.00 0.00 175.10 176.36 2jtr s GLN 19 N 1.89 3.31 0.00 2.72 -2.07 -0.99 -2.77 119.66 121.75 2jtr s GLN 19 Ca 0.75 2.23 0.00 0.00 -1.82 0.00 0.00 55.36 56.52 2jtr s GLN 19 Cb -0.45 -2.36 0.00 0.00 -1.09 0.00 0.00 33.01 29.11 2jtr s GLN 19 CO 0.33 -1.05 0.00 0.41 -1.32 0.00 0.00 175.29 173.66 2jtr n GLY 20 N 0.67 2.36 3.69 2.60 0.00 -1.26 -5.02 105.19 108.23 2jtr n GLY 20 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.16 1.08 0.36 4.61 0.00 -1.12 -4.85 121.76 118.69 2jtr s ALA 21 Ca 0.00 -0.70 0.09 0.00 0.00 0.00 0.00 51.96 51.35 2jtr s ALA 21 Cb 0.00 -2.98 -0.07 0.00 0.00 0.00 0.00 23.12 20.07 2jtr s ALA 21 CO 0.00 -2.99 -0.03 -1.50 0.00 0.00 0.00 175.76 171.24 2jtr s ILE 22 N -3.13 2.27 -0.09 0.00 2.07 -0.41 -5.01 121.20 116.89 2jtr s ILE 22 Ca 0.68 -2.07 0.03 0.00 -1.41 0.00 0.00 60.65 57.88 2jtr s ILE 22 Cb -0.13 -2.79 0.01 0.00 0.13 0.00 0.00 42.46 39.68 2jtr s ILE 22 CO 0.56 -0.14 -0.19 0.21 -1.91 0.00 0.00 174.94 173.47 2jtr s ASN 23 N -3.68 2.55 -0.39 4.50 3.04 -1.26 -0.69 114.94 119.01 2jtr s ASN 23 Ca 0.34 -0.46 0.02 0.00 0.04 0.00 0.00 52.86 52.81 2jtr s ASN 23 Cb 0.04 -1.17 0.16 0.00 -1.54 0.00 0.00 41.25 38.74 2jtr s ASN 23 CO 0.18 0.09 0.29 -0.63 -3.04 0.00 0.00 177.10 173.98 2jtr s ILE 24 N 0.59 0.35 0.73 -5.21 1.01 -0.18 -4.95 121.20 113.54 2jtr s ILE 24 Ca -0.15 -2.30 -0.16 0.00 0.00 0.00 0.00 60.65 58.04 2jtr s ILE 24 Cb -0.17 -1.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 2jtr s ILE 24 CO 0.05 -1.12 0.60 -2.65 0.00 0.00 0.00 174.94 171.82 2jtr n PRO 25 N 3.34 0.31 -0.27 2.79 -0.02 -1.26 -4.23 135.00 135.66 2jtr n PRO 25 Ca 0.22 0.15 0.18 0.00 -2.02 0.00 0.00 63.50 62.03 2jtr n PRO 25 Cb 0.43 -1.90 0.48 0.00 -0.02 0.00 0.00 33.50 32.49 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 -0.39 0.48 -1.84 2.45 5.85 -1.24 0.23 115.31 120.85 2jtr h LEU 26 Ca -0.46 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 2jtr h LEU 26 Cb 1.35 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.34 2jtr h LEU 26 CO 0.43 0.18 -0.09 0.50 -0.34 0.00 0.00 178.44 179.13 2jtr h LYS 27 N 0.47 0.00 0.00 1.25 3.64 -1.90 -3.32 116.57 116.72 2jtr h LYS 27 Ca 0.50 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.81 2jtr h LYS 27 Cb 1.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 2jtr h LYS 27 CO -0.22 0.09 -1.35 0.39 -2.27 0.00 0.00 179.45 176.09 2jtr n GLU 28 N -3.36 2.43 -0.32 1.90 -0.58 0.46 -4.78 120.64 116.40 2jtr n GLU 28 Ca -0.01 -0.01 0.05 0.00 -0.42 0.00 0.00 57.16 56.76 2jtr n GLU 28 Cb 0.26 -1.14 0.24 0.00 -0.57 0.00 0.00 31.44 30.23 2jtr n GLU 28 CO 0.00 0.00 0.00 -0.24 -0.48 0.00 0.00 177.13 176.41 2jtr h VAL 29 N 0.00 1.03 0.00 2.62 3.04 -0.80 -0.93 116.25 121.20 2jtr h VAL 29 Ca -0.11 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2jtr h VAL 29 Cb 1.09 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 2jtr h VAL 29 CO 0.01 0.19 0.00 0.50 -1.01 0.00 0.00 177.57 177.25 2jtr h LYS 30 N 1.02 0.00 -0.01 4.17 3.64 -1.85 0.52 116.57 124.05 2jtr h LYS 30 Ca 0.42 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 2jtr h LYS 30 Cb 0.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2jtr h LYS 30 CO -0.17 0.00 -0.44 0.39 -2.27 0.00 0.00 179.45 176.96 2jtr n GLU 31 N -3.00 1.51 0.00 1.90 -0.58 -0.37 -4.72 120.64 115.38 2jtr n GLU 31 Ca -0.02 -0.76 0.00 0.00 -0.42 0.00 0.00 57.16 55.96 2jtr n GLU 31 Cb 0.14 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 2jtr n GLU 31 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2jtr n ARG 32 N -0.26 4.05 -0.29 3.49 0.63 -0.61 -4.85 116.66 118.83 2jtr n ARG 32 Ca 0.07 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.99 2jtr n ARG 32 Cb 0.37 -0.63 0.17 0.00 0.45 0.00 0.00 32.46 32.82 2jtr n ARG 32 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 2jtr h ILE 33 N 0.00 1.23 -0.43 5.15 6.09 -1.21 -1.31 117.51 127.03 2jtr h ILE 33 Ca 0.00 -0.46 -0.01 0.00 -1.37 0.00 0.00 64.86 63.02 2jtr h ILE 33 Cb 0.03 0.00 -0.02 0.00 0.47 0.00 0.00 36.82 37.30 2jtr h ILE 33 CO 0.00 0.23 0.23 0.00 -3.07 0.00 0.00 178.15 175.54 2jtr h ALA 34 N 1.43 1.59 -0.13 0.18 0.00 -1.83 0.16 119.26 120.65 2jtr h ALA 34 Ca 0.31 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 2jtr h ALA 34 Cb -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2jtr h ALA 34 CO -0.06 0.34 -0.29 1.15 0.00 0.00 0.00 179.25 180.39 2jtr h THR 35 N 0.60 1.37 -0.02 0.00 2.02 -1.61 -3.21 112.91 112.07 2jtr h THR 35 Ca 0.15 -1.57 -0.13 0.00 0.77 0.00 0.00 66.41 65.64 2jtr h THR 35 Cb 0.03 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 2jtr h THR 35 CO -0.02 0.46 -0.58 0.00 0.37 0.00 0.00 175.52 175.75 2jtr h ALA 36 N 0.53 1.00 -2.65 6.16 0.00 -0.80 -3.39 119.26 120.12 2jtr h ALA 36 Ca 0.00 -0.53 -0.59 0.00 0.00 0.00 0.00 54.91 53.79 2jtr h ALA 36 Cb 0.89 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 18.19 2jtr h ALA 36 CO 0.06 0.72 -0.84 0.08 0.00 0.00 0.00 179.25 179.27 2jtr s VAL 37 N -3.73 0.70 -1.82 0.00 1.01 0.51 -5.00 120.40 112.06 2jtr s VAL 37 Ca -0.02 -2.38 0.24 0.00 0.00 0.00 0.00 61.98 59.82 2jtr s VAL 37 Cb 0.13 -1.49 0.60 0.00 0.00 0.00 0.00 36.38 35.61 2jtr s VAL 37 CO 0.77 -1.04 1.79 -0.81 0.00 0.00 0.00 175.10 175.81 2jtr n PRO 38 N 3.41 0.62 -3.68 2.72 -0.04 -1.21 -4.42 135.00 132.40 2jtr n PRO 38 Ca 0.17 0.02 -0.24 0.00 -0.04 0.00 0.00 63.50 63.41 2jtr n PRO 38 Cb 0.40 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.18 2jtr n PRO 38 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jtr s ASP 39 N -2.18 1.93 0.35 3.54 2.15 -1.26 -5.03 116.67 116.17 2jtr s ASP 39 Ca 0.32 -0.34 0.25 0.00 0.43 0.00 0.00 52.55 53.21 2jtr s ASP 39 Cb 0.16 -0.30 1.27 0.00 -0.30 0.00 0.00 42.92 43.75 2jtr s ASP 39 CO 0.30 -0.28 1.76 0.11 -0.17 0.00 0.00 175.17 176.89 2jtr h LYS 40 N 8.38 0.00 0.00 4.34 1.57 -1.98 -2.12 116.57 126.77 2jtr h LYS 40 Ca -0.15 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 2jtr h LYS 40 Cb 1.13 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.44 2jtr h LYS 40 CO 0.25 0.00 -0.09 -0.97 -0.57 0.00 0.00 179.45 178.07 2jtr h ASN 41 N 0.00 0.00 -3.99 0.86 -1.24 -1.97 -3.38 115.58 105.85 2jtr h ASN 41 Ca 0.00 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.46 2jtr h ASN 41 Cb 0.10 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.27 2jtr h ASN 41 CO 0.00 0.09 0.72 -0.62 -1.29 0.00 0.00 177.43 176.32 2jtr s ASP 42 N -5.89 5.85 -0.78 1.15 2.15 -0.80 -4.90 116.67 113.46 2jtr s ASP 42 Ca -0.02 2.96 -0.26 0.00 0.43 0.00 0.00 52.55 55.66 2jtr s ASP 42 Cb 0.12 -2.66 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 2jtr s ASP 42 CO 0.55 -1.20 1.42 -0.89 -0.17 0.00 0.00 175.17 174.88 2jtr s THR 43 N -1.19 3.69 -1.04 1.71 2.01 -0.25 -4.66 115.64 115.92 2jtr s THR 43 Ca 0.61 0.15 -0.23 0.00 0.31 0.00 0.00 61.69 62.53 2jtr s THR 43 Cb -0.45 -4.77 0.03 0.00 0.01 0.00 0.00 72.50 67.32 2jtr s THR 43 CO 0.58 -1.71 1.61 -0.69 -0.69 0.00 0.00 174.62 173.72 2jtr s VAL 44 N 6.23 3.84 -1.01 3.82 1.01 -0.45 -1.75 120.40 132.11 2jtr s VAL 44 Ca 0.43 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 61.34 2jtr s VAL 44 Cb -0.07 -4.85 0.07 0.00 0.00 0.00 0.00 36.38 31.53 2jtr s VAL 44 CO 0.11 -1.72 1.38 -0.54 0.00 0.00 0.00 175.10 174.33 2jtr s LYS 45 N 5.34 3.60 0.18 2.72 1.02 -0.46 -1.33 119.74 130.82 2jtr s LYS 45 Ca 0.53 -1.29 -0.26 0.00 0.02 0.00 0.00 55.97 54.97 2jtr s LYS 45 Cb -0.01 -5.26 -0.08 0.00 -0.52 0.00 0.00 37.83 31.96 2jtr s LYS 45 CO -0.05 -2.11 0.81 0.14 -0.92 0.00 0.00 175.35 173.23 2jtr s VAL 46 N 4.43 4.30 0.21 3.17 -7.23 -0.05 -1.07 120.40 124.16 2jtr s VAL 46 Ca 0.43 1.79 -0.11 0.00 -1.81 0.00 0.00 61.98 62.29 2jtr s VAL 46 Cb -0.01 -4.18 -0.01 0.00 0.56 0.00 0.00 36.38 32.74 2jtr s VAL 46 CO -0.10 0.52 0.39 -0.72 -0.31 0.00 0.00 175.10 174.88 2jtr s TYR 47 N -1.15 0.42 0.00 2.82 1.13 -0.97 -1.38 117.35 118.22 2jtr s TYR 47 Ca 0.37 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 55.27 2jtr s TYR 47 Cb -0.24 0.05 0.00 0.00 -1.10 0.00 0.00 41.96 40.68 2jtr s TYR 47 CO 0.28 -0.87 0.00 0.00 -2.51 0.00 0.00 175.55 172.45 2jtr h ASN 49 N 0.00 0.23 0.00 0.00 -0.00 -1.94 0.80 115.58 114.68 2jtr h ASN 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2jtr h ASN 49 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 38.28 2jtr h ASN 49 CO 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 177.43 177.60 2jtr n ALA 50 N -2.20 0.29 0.00 1.57 0.00 -1.26 -2.29 120.51 116.62 2jtr n ALA 50 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2jtr n ALA 50 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 0.13 0.90 0.17 0.00 0.00 -1.26 -4.36 105.19 100.77 2jtr n GLY 51 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 0.52 -0.09 1.61 2.47 -1.96 -1.01 114.38 115.91 2jtr h ARG 52 Ca 0.00 -0.12 -0.05 0.00 -1.26 0.00 0.00 59.98 58.55 2jtr h ARG 52 Cb 0.00 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.24 2jtr h ARG 52 CO 0.00 0.58 -0.17 1.96 0.56 0.00 0.00 179.97 182.90 2jtr h GLN 53 N 0.37 0.15 -0.03 0.04 7.50 -1.95 -1.37 115.11 119.81 2jtr h GLN 53 Ca 0.10 -0.04 -0.00 0.00 0.50 0.00 0.00 58.65 59.21 2jtr h GLN 53 Cb 0.29 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.80 2jtr h GLN 53 CO 0.00 0.33 0.01 0.77 -1.50 0.00 0.00 178.83 178.43 2jtr h SER 54 N 0.14 0.05 -0.51 1.46 0.02 -1.62 0.11 113.55 113.21 2jtr h SER 54 Ca 0.03 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.66 2jtr h SER 54 Cb 0.39 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2jtr h SER 54 CO 0.03 0.29 0.04 1.23 -1.14 0.00 0.00 176.83 177.27 2jtr h GLY 55 N -0.19 0.94 1.01 -3.77 0.00 -1.04 -0.05 103.07 99.97 2jtr h GLY 55 Ca 0.01 -0.67 0.01 0.00 0.00 0.00 0.00 47.33 46.68 2jtr h GLY 55 CO 0.00 0.61 0.48 1.46 0.00 0.00 0.00 176.54 179.10 2jtr h GLN 56 N 0.75 0.97 -0.50 4.80 7.50 -1.20 -2.06 115.11 125.37 2jtr h GLN 56 Ca 0.15 -0.06 -0.06 0.00 0.50 0.00 0.00 58.65 59.18 2jtr h GLN 56 Cb 0.47 -0.22 -0.02 0.00 0.05 0.00 0.00 27.48 27.76 2jtr h GLN 56 CO 0.02 0.65 0.07 0.00 -1.50 0.00 0.00 178.83 178.06 2jtr h ALA 57 N 1.27 0.66 -0.84 3.87 0.00 -0.47 -2.94 119.26 120.81 2jtr h ALA 57 Ca 0.27 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 55.00 2jtr h ALA 57 Cb -0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.44 2jtr h ALA 57 CO -0.06 0.41 0.55 -0.22 0.00 0.00 0.00 179.25 179.94 2jtr h LYS 58 N 0.71 0.91 0.28 0.00 3.64 -0.47 0.30 116.57 121.95 2jtr h LYS 58 Ca 0.15 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2jtr h LYS 58 Cb 0.42 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2jtr h LYS 58 CO 0.01 0.60 -0.14 0.93 -2.27 0.00 0.00 179.45 178.59 2jtr h GLU 59 N 0.94 -0.36 -0.02 1.90 4.39 -1.21 -0.46 114.58 119.76 2jtr h GLU 59 Ca 0.36 0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.99 2jtr h GLU 59 Cb 0.21 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 2jtr h GLU 59 CO -0.13 -0.17 -0.47 -0.84 -1.16 0.00 0.00 179.01 176.24 2jtr h ILE 60 N -0.49 1.34 -0.39 3.13 3.07 -1.38 -1.22 117.51 121.58 2jtr h ILE 60 Ca -0.04 -1.61 -0.10 0.00 1.55 0.00 0.00 64.86 64.66 2jtr h ILE 60 Cb 0.36 1.85 -0.02 0.00 -0.27 0.00 0.00 36.82 38.75 2jtr h ILE 60 CO 0.06 0.46 -0.18 -0.07 -1.05 0.00 0.00 178.15 177.37 2jtr h LEU 61 N 0.03 0.74 -0.73 0.16 3.38 -0.84 0.73 115.31 118.77 2jtr h LEU 61 Ca -0.00 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 2jtr h LEU 61 Cb 0.84 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 2jtr h LEU 61 CO 0.06 0.92 -0.06 0.28 0.09 0.00 0.00 178.44 179.73 2jtr h SER 62 N 0.65 0.90 -0.63 -0.43 0.02 -0.60 -0.85 113.55 112.61 2jtr h SER 62 Ca 0.10 -0.26 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 2jtr h SER 62 Cb 0.67 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 2jtr h SER 62 CO 0.05 0.99 0.16 -0.08 -1.14 0.00 0.00 176.83 176.81 2jtr h GLU 63 N 0.83 1.02 0.00 3.45 4.81 -0.80 -1.03 114.58 122.86 2jtr h GLU 63 Ca 0.14 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2jtr h GLU 63 Cb 0.57 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2jtr h GLU 63 CO 0.03 0.90 0.00 -1.33 -0.73 0.00 0.00 179.01 177.89 2jtr n MET 64 N -4.25 0.75 -1.04 1.92 2.81 0.21 -4.89 117.12 112.64 2jtr n MET 64 Ca 0.05 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.93 2jtr n MET 64 Cb 0.24 -1.19 -0.01 0.00 -0.71 0.00 0.00 33.22 31.56 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 0.35 0.50 3.77 3.03 0.00 -0.39 -5.02 105.19 107.43 2jtr n GLY 65 Ca 0.07 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.93 2.79 0.00 1.61 1.51 -0.40 -4.96 117.35 115.97 2jtr s TYR 66 Ca 0.00 1.53 0.00 0.00 -1.01 0.00 0.00 57.07 57.59 2jtr s TYR 66 Cb 0.00 -3.36 0.00 0.00 -0.11 0.00 0.00 41.96 38.49 2jtr s TYR 66 CO 0.00 -1.57 0.61 0.25 -1.11 0.00 0.00 175.55 173.73 2jtr n THR 67 N -0.78 0.31 -2.25 -0.71 -2.24 -1.26 -4.38 114.28 102.97 2jtr n THR 67 Ca 0.09 -0.34 0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2jtr n THR 67 Cb 0.49 0.93 0.08 0.00 -2.10 0.00 0.00 70.33 69.73 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 -0.16 0.08 -2.61 4.78 8.25 -1.26 -5.06 115.22 119.24 2jtr n HIS 68 Ca 0.00 -0.86 -0.40 0.00 -0.26 0.00 0.00 57.72 56.20 2jtr n HIS 68 Cb 0.37 -0.18 -0.05 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.11 3.77 -0.03 1.59 1.01 -1.26 -1.34 120.40 123.04 2jtr s VAL 69 Ca 0.35 1.77 0.00 0.00 0.00 0.00 0.00 61.98 64.11 2jtr s VAL 69 Cb 0.38 -4.12 0.03 0.00 0.00 0.00 0.00 36.38 32.67 2jtr s VAL 69 CO -0.13 0.41 0.01 -1.61 0.00 0.00 0.00 175.10 173.78 2jtr s GLU 70 N -1.36 0.17 -0.50 2.72 0.41 -0.44 -4.90 118.70 114.80 2jtr s GLU 70 Ca 0.43 0.12 -0.27 0.00 -0.41 0.00 0.00 54.97 54.85 2jtr s GLU 70 Cb -0.29 -0.39 0.03 0.00 -1.78 0.00 0.00 34.13 31.70 2jtr s GLU 70 CO 0.36 -0.15 1.02 1.21 -0.49 0.00 0.00 175.26 177.21 2jtr s ASN 71 N 1.06 6.50 0.39 -0.19 3.04 -1.26 -0.87 114.94 123.60 2jtr s ASN 71 Ca -0.09 0.13 0.11 0.00 0.04 0.00 0.00 52.86 53.05 2jtr s ASN 71 Cb -0.13 -2.49 0.79 0.00 -1.54 0.00 0.00 41.25 37.88 2jtr s ASN 71 CO -0.02 -1.20 1.90 0.00 -3.04 0.00 0.00 177.10 174.74 2jtr h ALA 72 N 9.23 1.50 0.00 1.71 0.00 -1.52 -3.48 119.26 126.69 2jtr h ALA 72 Ca -0.24 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jtr h ALA 72 Cb 1.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jtr h ALA 72 CO 1.09 0.36 0.00 0.41 0.00 0.00 0.00 179.25 181.11 2jtr n GLY 73 N -0.79 0.20 3.25 0.00 0.00 -1.26 -4.80 105.19 101.78 2jtr n GLY 73 Ca -0.01 -1.02 -0.14 0.00 0.00 0.00 0.00 46.02 44.85 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 1.22 0.22 -0.02 0.00 -1.26 -3.85 107.32 103.62 2jtr s GLY 74 Ca 0.00 -1.59 -0.10 0.00 0.00 0.00 0.00 44.72 43.04 2jtr s GLY 74 CO 0.00 -1.55 1.66 -2.00 0.00 0.00 0.00 173.10 171.21 2jtr h LEU 75 N 2.69 -0.29 -0.59 0.66 7.12 -0.40 0.12 115.31 124.62 2jtr h LEU 75 Ca -0.37 0.16 -0.13 0.00 0.13 0.00 0.00 57.88 57.67 2jtr h LEU 75 Cb 1.20 0.29 -0.01 0.00 -0.53 0.00 0.00 40.66 41.61 2jtr h LEU 75 CO 0.63 -0.13 -0.30 0.50 -0.13 0.00 0.00 178.44 179.01 2jtr h LYS 76 N 0.11 0.80 0.10 1.25 3.64 -1.86 -3.29 116.57 117.32 2jtr h LYS 76 Ca 0.34 -0.37 -0.27 0.00 -1.27 0.00 0.00 60.65 59.09 2jtr h LYS 76 Cb 0.57 -0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2jtr h LYS 76 CO -0.56 0.99 -1.17 0.22 -2.27 0.00 0.00 179.45 176.67 2jtr h ASP 77 N 0.67 0.60 -3.00 4.20 3.58 -1.42 -3.45 116.42 117.60 2jtr h ASP 77 Ca 0.08 -0.56 -0.53 0.00 0.42 0.00 0.00 57.03 56.44 2jtr h ASP 77 Cb 0.84 -0.19 0.07 0.00 1.72 0.00 0.00 39.33 41.78 2jtr h ASP 77 CO 0.07 1.40 0.95 -0.63 -2.88 0.00 0.00 179.24 178.16 2jtr s ILE 78 N -2.92 2.04 -0.77 2.25 1.01 -0.14 -4.92 121.20 117.76 2jtr s ILE 78 Ca -0.06 0.03 0.26 0.00 0.00 0.00 0.00 60.65 60.88 2jtr s ILE 78 Cb 0.07 -3.02 0.21 0.00 0.01 0.00 0.00 42.46 39.73 2jtr s ILE 78 CO 0.89 0.00 1.67 0.00 0.00 0.00 0.00 174.94 177.51 2jtr n ALA 79 N 3.09 2.51 -1.34 9.38 0.00 -1.26 -4.91 120.51 127.98 2jtr n ALA 79 Ca 0.12 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.11 2jtr n ALA 79 Cb 0.36 -1.38 0.10 0.00 0.00 0.00 0.00 19.45 18.53 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 2.08 0.84 0.00 -1.94 -1.26 -5.02 119.30 110.90 2jtr s MET 80 Ca 0.10 1.78 -0.11 0.00 -1.71 0.00 0.00 55.69 55.75 2jtr s MET 80 Cb 0.14 -1.82 0.10 0.00 2.01 0.00 0.00 34.83 35.25 2jtr s MET 80 CO 0.62 -1.89 1.09 -1.25 -0.01 0.00 0.00 175.02 173.59 2jtr s PRO 81 N -3.92 1.72 0.13 2.03 0.04 -1.26 -4.96 135.00 128.78 2jtr s PRO 81 Ca 0.75 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.85 2jtr s PRO 81 Cb -0.30 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2jtr s PRO 81 CO 0.46 -1.98 -0.09 0.15 0.04 0.00 0.00 177.00 175.59 2jtr s LYS 82 N -4.90 0.96 0.10 4.56 3.01 -1.26 -2.34 119.74 119.87 2jtr s LYS 82 Ca 0.62 -1.40 -0.05 0.00 -1.01 0.00 0.00 55.97 54.14 2jtr s LYS 82 Cb -0.18 -0.44 -0.02 0.00 -1.01 0.00 0.00 37.83 36.17 2jtr s LYS 82 CO 0.57 0.04 0.11 0.14 0.51 0.00 0.00 175.35 176.71 2jtr s VAL 83 N -3.45 0.15 0.76 3.17 -7.23 -0.07 -4.79 120.40 108.94 2jtr s VAL 83 Ca 0.15 -1.56 -0.13 0.00 -1.81 0.00 0.00 61.98 58.63 2jtr s VAL 83 Cb 0.04 -1.62 0.06 0.00 0.56 0.00 0.00 36.38 35.41 2jtr s VAL 83 CO -0.02 -0.66 1.16 -0.54 -0.31 0.00 0.00 175.10 174.73 2jtr s LYS 84 N -3.93 2.02 0.00 4.82 3.01 -1.26 -0.79 119.74 123.60 2jtr s LYS 84 Ca 0.11 1.56 0.00 0.00 -1.01 0.00 0.00 55.97 56.64 2jtr s LYS 84 Cb 0.06 -1.84 0.00 0.00 -1.01 0.00 0.00 37.83 35.04 2jtr s LYS 84 CO -0.06 -1.88 0.40 0.41 0.51 0.00 0.00 175.35 174.73