#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 0.76 0.04 0.00 2.12 -1.26 -3.25 118.70 117.10 2jtr s GLU 2 Ca 0.00 -0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.31 2jtr s GLU 2 Cb 0.00 0.34 -0.03 0.00 0.26 0.00 0.00 34.13 34.71 2jtr s GLU 2 CO 0.00 -0.21 -0.05 -1.01 -0.54 0.00 0.00 175.26 173.45 2jtr s HIS 3 N -1.20 0.49 -0.18 5.30 3.76 -1.04 -4.99 115.29 117.42 2jtr s HIS 3 Ca -0.12 -0.62 0.01 0.00 -0.15 0.00 0.00 55.06 54.17 2jtr s HIS 3 Cb -0.04 -0.31 0.02 0.00 1.11 0.00 0.00 32.58 33.35 2jtr s HIS 3 CO 0.05 -0.18 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.00 2jtr s TRP 4 N -1.94 2.78 -0.23 1.40 0.52 -1.26 -0.82 118.94 119.39 2jtr s TRP 4 Ca -0.09 -1.57 0.01 0.00 0.02 0.00 0.00 56.10 54.47 2jtr s TRP 4 Cb -0.06 -1.92 0.06 0.00 -1.15 0.00 0.00 33.47 30.39 2jtr s TRP 4 CO -0.02 -0.77 -0.06 0.42 0.02 0.00 0.00 176.95 176.54 2jtr s ILE 5 N 1.25 1.55 0.19 2.03 1.01 -0.53 -1.46 121.20 125.25 2jtr s ILE 5 Ca 0.04 -1.22 -0.30 0.00 0.00 0.00 0.00 60.65 59.17 2jtr s ILE 5 Cb -0.13 -1.80 -0.09 0.00 0.01 0.00 0.00 42.46 40.44 2jtr s ILE 5 CO -0.11 -0.08 1.37 -0.62 0.00 0.00 0.00 174.94 175.49 2jtr s ASP 6 N 1.39 6.81 0.00 3.58 2.15 0.24 -3.71 116.67 127.13 2jtr s ASP 6 Ca -0.06 2.46 0.08 0.00 0.43 0.00 0.00 52.55 55.46 2jtr s ASP 6 Cb -0.19 -2.61 0.16 0.00 -0.30 0.00 0.00 42.92 39.98 2jtr s ASP 6 CO -0.06 -0.61 1.02 0.52 -0.17 0.00 0.00 175.17 175.87 2jtr n VAL 7 N 2.88 0.61 -0.96 1.11 0.31 -1.16 -1.50 118.33 119.63 2jtr n VAL 7 Ca 0.08 -0.81 -0.33 0.00 -0.01 0.00 0.00 64.34 63.27 2jtr n VAL 7 Cb 0.42 0.76 0.13 0.00 -0.91 0.00 0.00 33.84 34.23 2jtr n VAL 7 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2jtr n ARG 8 N 0.31 -0.05 -1.60 5.55 1.74 -1.26 -1.52 116.66 119.83 2jtr n ARG 8 Ca 0.07 0.05 -0.39 0.00 -0.77 0.00 0.00 57.85 56.82 2jtr n ARG 8 Cb 0.31 -2.24 0.04 0.00 -1.02 0.00 0.00 32.46 29.55 2jtr n ARG 8 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2jtr n VAL 9 N -3.48 3.23 0.25 1.55 0.24 -1.26 -3.93 118.33 114.93 2jtr n VAL 9 Ca 0.11 -0.50 0.10 0.00 -2.04 0.00 0.00 64.34 62.01 2jtr n VAL 9 Cb 0.51 -1.11 0.64 0.00 -1.47 0.00 0.00 33.84 32.41 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 0.72 0.00 0.00 7.34 0.13 -1.99 -0.29 132.00 137.91 2jtr h PRO 10 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 2jtr h PRO 10 Cb 1.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 2jtr h PRO 10 CO 0.52 0.15 -0.63 0.93 -0.23 0.00 0.00 178.00 178.73 2jtr h GLU 11 N 0.00 0.00 0.09 0.86 5.08 -2.01 -3.10 114.58 115.50 2jtr h GLU 11 Ca -0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.08 2jtr h GLU 11 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2jtr h GLU 11 CO 0.02 0.63 -1.35 1.96 -1.00 0.00 0.00 179.01 179.27 2jtr h GLN 12 N 0.00 0.19 -0.46 2.33 1.08 -1.43 -3.29 115.11 113.52 2jtr h GLN 12 Ca -0.01 -0.32 0.09 0.00 -1.45 0.00 0.00 58.65 56.96 2jtr h GLN 12 Cb 1.20 0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 28.66 2jtr h GLN 12 CO 0.08 1.08 -0.15 -0.92 -0.95 0.00 0.00 178.83 177.97 2jtr h TYR 13 N 0.05 -0.34 0.00 2.96 3.20 -1.31 -2.65 116.97 118.88 2jtr h TYR 13 Ca -0.17 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.75 2jtr h TYR 13 Cb 1.95 0.22 0.00 0.00 1.54 0.00 0.00 36.73 40.45 2jtr h TYR 13 CO 0.05 -0.23 0.00 1.96 -1.64 0.00 0.00 178.16 178.29 2jtr h GLN 14 N -0.04 0.00 -0.38 1.82 4.20 -1.61 -3.16 115.11 115.93 2jtr h GLN 14 Ca 0.22 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 2jtr h GLN 14 Cb 0.38 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 2jtr h GLN 14 CO -0.50 0.00 0.13 1.96 -0.67 0.00 0.00 178.83 179.75 2jtr h GLN 15 N 0.00 0.59 -1.21 1.46 1.08 -1.59 -0.91 115.11 114.52 2jtr h GLN 15 Ca 0.00 -0.12 0.19 0.00 -1.45 0.00 0.00 58.65 57.27 2jtr h GLN 15 Cb 0.31 -0.09 -0.27 0.00 -0.05 0.00 0.00 27.48 27.38 2jtr h GLN 15 CO 0.00 0.58 0.82 -1.83 -0.95 0.00 0.00 178.83 177.45 2jtr s GLU 16 N -5.45 0.21 0.08 1.46 -1.05 -1.19 -4.69 118.70 108.06 2jtr s GLU 16 Ca -0.13 0.09 -0.10 0.00 -0.15 0.00 0.00 54.97 54.67 2jtr s GLU 16 Cb 0.10 0.10 0.01 0.00 -0.44 0.00 0.00 34.13 33.90 2jtr s GLU 16 CO 0.75 -0.06 0.23 -3.38 0.95 0.00 0.00 175.26 173.76 2jtr s HIS 17 N -0.80 0.05 0.28 4.83 -3.43 -0.01 -4.80 115.29 111.41 2jtr s HIS 17 Ca 0.06 -0.38 -0.30 0.00 -0.80 0.00 0.00 55.06 53.63 2jtr s HIS 17 Cb -0.02 0.01 -0.11 0.00 -1.43 0.00 0.00 32.58 31.03 2jtr s HIS 17 CO -0.07 -0.53 1.60 0.08 -2.00 0.00 0.00 174.74 173.82 2jtr s VAL 18 N -3.39 2.09 0.45 -5.38 1.01 -1.26 -0.69 120.40 113.22 2jtr s VAL 18 Ca 0.01 0.07 -0.25 0.00 0.00 0.00 0.00 61.98 61.82 2jtr s VAL 18 Cb 0.02 -3.05 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 2jtr s VAL 18 CO -0.09 0.01 1.33 1.67 0.00 0.00 0.00 175.10 178.03 2jtr n GLN 19 N 2.34 2.01 -2.54 2.72 7.27 -0.35 -3.79 117.38 125.03 2jtr n GLN 19 Ca 0.09 0.72 -0.05 0.00 0.07 0.00 0.00 57.00 57.83 2jtr n GLN 19 Cb 0.37 -2.49 0.02 0.00 2.41 0.00 0.00 30.24 30.56 2jtr n GLN 19 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jtr n GLY 20 N 0.73 0.41 3.26 1.69 0.00 -1.26 -4.99 105.19 105.03 2jtr n GLY 20 Ca 0.07 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.53 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 -3.08 1.60 0.41 4.61 0.00 -1.25 -4.66 121.76 119.39 2jtr s ALA 21 Ca 0.07 -1.93 0.06 0.00 0.00 0.00 0.00 51.96 50.15 2jtr s ALA 21 Cb -0.03 1.44 -0.07 0.00 0.00 0.00 0.00 23.12 24.46 2jtr s ALA 21 CO 0.18 -0.64 0.02 -1.50 0.00 0.00 0.00 175.76 173.81 2jtr s ILE 22 N -3.68 1.76 -0.07 0.00 2.07 -0.53 -5.02 121.20 115.73 2jtr s ILE 22 Ca 0.40 -2.00 0.04 0.00 -1.41 0.00 0.00 60.65 57.67 2jtr s ILE 22 Cb 0.04 -2.86 0.00 0.00 0.13 0.00 0.00 42.46 39.77 2jtr s ILE 22 CO 0.22 0.00 -0.18 0.21 -1.91 0.00 0.00 174.94 173.28 2jtr s ASN 23 N -3.70 2.33 -0.28 4.50 3.84 -1.26 -0.59 114.94 119.78 2jtr s ASN 23 Ca 0.32 -0.40 -0.04 0.00 0.21 0.00 0.00 52.86 52.95 2jtr s ASN 23 Cb 0.09 -0.92 0.10 0.00 -0.55 0.00 0.00 41.25 39.96 2jtr s ASN 23 CO 0.16 0.12 0.12 -0.63 -2.79 0.00 0.00 177.10 174.08 2jtr s ILE 24 N 0.34 0.05 0.91 -5.21 1.01 -0.56 -4.94 121.20 112.79 2jtr s ILE 24 Ca -0.12 -0.80 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 2jtr s ILE 24 Cb -0.15 -1.04 0.04 0.00 0.01 0.00 0.00 42.46 41.32 2jtr s ILE 24 CO 0.05 -0.69 0.53 -2.65 0.00 0.00 0.00 174.94 172.17 2jtr n PRO 25 N 5.20 -0.21 -0.20 2.79 -0.02 -1.25 -4.32 135.00 136.99 2jtr n PRO 25 Ca -0.06 -0.01 0.11 0.00 -2.02 0.00 0.00 63.50 61.52 2jtr n PRO 25 Cb 0.42 -1.93 0.41 0.00 -0.02 0.00 0.00 33.50 32.38 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 -1.42 0.57 0.00 2.45 5.85 -1.50 0.25 115.31 121.51 2jtr h LEU 26 Ca -0.44 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.30 2jtr h LEU 26 Cb 1.29 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2jtr h LEU 26 CO 0.36 0.33 0.00 0.29 -0.34 0.00 0.00 178.44 179.08 2jtr n LYS 27 N -4.50 0.53 0.00 1.25 5.02 -1.26 -3.86 118.16 115.34 2jtr n LYS 27 Ca 0.13 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2jtr n LYS 27 Cb 0.38 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.89 2jtr n LYS 27 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jtr n GLU 28 N -1.15 3.52 -0.05 1.97 -0.58 0.30 -4.87 120.64 119.79 2jtr n GLU 28 Ca 0.14 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.80 2jtr n GLU 28 Cb 0.13 -0.57 0.08 0.00 -0.57 0.00 0.00 31.44 30.52 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 1.28 -0.23 2.62 3.04 -0.75 -2.95 116.25 119.26 2jtr h VAL 29 Ca 0.00 -1.47 0.03 0.00 -1.01 0.00 0.00 66.70 64.25 2jtr h VAL 29 Cb 0.00 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 2jtr h VAL 29 CO 0.00 0.48 0.16 0.50 -1.01 0.00 0.00 177.57 177.69 2jtr h LYS 30 N 0.59 0.18 0.00 4.17 3.64 -1.85 0.11 116.57 123.42 2jtr h LYS 30 Ca 0.06 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2jtr h LYS 30 Cb 0.85 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2jtr h LYS 30 CO 0.07 0.12 0.00 0.39 -2.27 0.00 0.00 179.45 177.76 2jtr n GLU 31 N -4.50 0.22 0.00 1.90 -0.58 -1.11 -4.29 120.64 112.27 2jtr n GLU 31 Ca 0.01 0.23 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 2jtr n GLU 31 Cb 0.17 -1.78 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 2jtr n GLU 31 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2jtr n ARG 32 N -2.16 2.91 -0.22 3.49 1.74 -0.48 -4.78 116.66 117.16 2jtr n ARG 32 Ca 0.05 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.24 2jtr n ARG 32 Cb 0.38 -0.74 0.40 0.00 -1.02 0.00 0.00 32.46 31.48 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 0.89 -0.25 0.55 6.09 -1.02 0.49 117.51 124.26 2jtr h ILE 33 Ca 0.00 -0.22 0.07 0.00 -1.37 0.00 0.00 64.86 63.34 2jtr h ILE 33 Cb 0.10 0.18 -0.01 0.00 0.47 0.00 0.00 36.82 37.56 2jtr h ILE 33 CO 0.00 0.12 0.30 0.00 -3.07 0.00 0.00 178.15 175.50 2jtr h ALA 34 N 1.61 1.86 0.00 0.18 0.00 -1.82 -0.96 119.26 120.13 2jtr h ALA 34 Ca 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2jtr h ALA 34 Cb 0.59 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jtr h ALA 34 CO -0.15 -0.43 -0.86 0.25 0.00 0.00 0.00 179.25 178.06 2jtr n THR 35 N -3.67 0.00 0.15 0.00 -2.24 -0.72 -4.25 114.28 103.55 2jtr n THR 35 Ca 0.03 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.86 2jtr n THR 35 Cb 0.43 -0.86 0.47 0.00 -2.10 0.00 0.00 70.33 68.27 2jtr n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jtr h ALA 36 N 0.00 1.66 -2.83 6.98 0.00 -0.86 -3.34 119.26 120.88 2jtr h ALA 36 Ca 0.00 -0.14 -0.59 0.00 0.00 0.00 0.00 54.91 54.18 2jtr h ALA 36 Cb 0.86 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.19 2jtr h ALA 36 CO 0.00 0.25 -0.79 0.08 0.00 0.00 0.00 179.25 178.79 2jtr s VAL 37 N -4.86 0.76 -1.37 0.00 1.01 -0.37 -5.04 120.40 110.53 2jtr s VAL 37 Ca -0.05 -2.02 0.16 0.00 0.00 0.00 0.00 61.98 60.07 2jtr s VAL 37 Cb 0.16 -1.55 0.26 0.00 0.00 0.00 0.00 36.38 35.25 2jtr s VAL 37 CO 0.71 -0.91 1.47 -0.81 0.00 0.00 0.00 175.10 175.57 2jtr n PRO 38 N 3.95 0.20 -3.78 2.72 -0.04 -1.25 -4.51 135.00 132.28 2jtr n PRO 38 Ca 0.08 0.15 -0.13 0.00 -0.04 0.00 0.00 63.50 63.56 2jtr n PRO 38 Cb 0.36 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.21 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 -2.63 -0.25 0.61 3.54 -1.08 -1.26 -4.96 116.67 110.63 2jtr s ASP 39 Ca 0.14 0.49 0.33 0.00 -0.52 0.00 0.00 52.55 52.99 2jtr s ASP 39 Cb 0.11 0.49 1.95 0.00 -1.46 0.00 0.00 42.92 44.01 2jtr s ASP 39 CO 0.25 -0.09 2.28 0.07 0.52 0.00 0.00 175.17 178.20 2jtr h LYS 40 N 5.89 0.00 0.00 4.34 5.09 -1.90 -2.47 116.57 127.53 2jtr h LYS 40 Ca -0.27 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.41 2jtr h LYS 40 Cb 1.19 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.51 2jtr h LYS 40 CO 0.36 0.00 -0.30 -0.97 -2.09 0.00 0.00 179.45 176.44 2jtr h ASN 41 N 0.00 0.00 -3.95 7.07 -1.24 -1.97 -3.39 115.58 112.11 2jtr h ASN 41 Ca 0.00 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.50 2jtr h ASN 41 Cb 0.01 0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.12 2jtr h ASN 41 CO -0.00 0.30 0.52 -0.62 -1.29 0.00 0.00 177.43 176.34 2jtr s ASP 42 N -6.30 6.45 0.35 1.15 2.15 -0.93 -4.90 116.67 114.65 2jtr s ASP 42 Ca 0.03 2.39 -0.25 0.00 0.43 0.00 0.00 52.55 55.14 2jtr s ASP 42 Cb 0.08 -2.62 -0.10 0.00 -0.30 0.00 0.00 42.92 39.99 2jtr s ASP 42 CO 0.68 -0.73 1.00 -0.89 -0.17 0.00 0.00 175.17 175.07 2jtr s THR 43 N -1.40 3.95 0.00 1.71 2.01 -1.20 -4.77 115.64 115.94 2jtr s THR 43 Ca 0.58 1.59 0.01 0.00 0.31 0.00 0.00 61.69 64.18 2jtr s THR 43 Cb -0.32 -3.87 -0.00 0.00 0.01 0.00 0.00 72.50 68.32 2jtr s THR 43 CO 0.40 0.10 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.70 2jtr s VAL 44 N -1.60 0.25 -0.03 3.82 1.01 -0.52 -2.51 120.40 120.81 2jtr s VAL 44 Ca 0.53 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.33 2jtr s VAL 44 Cb -0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 2jtr s VAL 44 CO 0.27 0.00 -0.20 -0.54 0.00 0.00 0.00 175.10 174.63 2jtr s LYS 45 N -0.25 1.89 0.01 2.72 1.02 0.00 -1.25 119.74 123.88 2jtr s LYS 45 Ca -0.01 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.27 2jtr s LYS 45 Cb -0.02 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.57 2jtr s LYS 45 CO -0.00 0.36 -0.05 0.14 -0.92 0.00 0.00 175.35 174.88 2jtr s VAL 46 N -0.23 0.37 0.05 3.17 -7.23 -0.43 -1.45 120.40 114.65 2jtr s VAL 46 Ca 0.01 -0.41 -0.20 0.00 -1.81 0.00 0.00 61.98 59.57 2jtr s VAL 46 Cb -0.10 -0.36 0.04 0.00 0.56 0.00 0.00 36.38 36.52 2jtr s VAL 46 CO 0.01 -0.03 0.46 -0.72 -0.31 0.00 0.00 175.10 174.51 2jtr s TYR 47 N -0.44 -0.33 0.16 2.82 1.13 -1.24 -0.96 117.35 118.48 2jtr s TYR 47 Ca -0.02 0.32 -0.04 0.00 -1.41 0.00 0.00 57.07 55.92 2jtr s TYR 47 Cb -0.04 0.28 0.02 0.00 -1.10 0.00 0.00 41.96 41.11 2jtr s TYR 47 CO -0.00 -0.61 0.28 0.00 -2.51 0.00 0.00 175.55 172.71 2jtr s ASN 49 N -1.87 6.50 -0.79 0.00 3.84 -1.26 -1.77 114.94 119.59 2jtr s ASN 49 Ca 0.08 2.71 0.00 0.00 0.21 0.00 0.00 52.86 55.86 2jtr s ASN 49 Cb -0.01 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.10 2jtr s ASN 49 CO 0.06 -0.91 0.00 0.00 -2.79 0.00 0.00 177.10 173.47 2jtr n ALA 50 N 4.38 -0.11 -1.04 1.71 0.00 -1.26 -2.21 120.51 121.97 2jtr n ALA 50 Ca 0.15 0.12 -0.04 0.00 0.00 0.00 0.00 53.44 53.68 2jtr n ALA 50 Cb 0.37 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.06 0.35 0.29 0.00 0.00 -0.73 -4.91 105.19 100.14 2jtr n GLY 51 Ca -0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.65 -0.03 1.61 3.08 -1.71 0.03 114.38 116.71 2jtr h ARG 52 Ca -0.08 0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2jtr h ARG 52 Cb 0.98 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 31.18 2jtr h ARG 52 CO 0.11 -0.35 -0.04 1.96 -1.07 0.00 0.00 179.97 180.57 2jtr h GLN 53 N -1.06 0.04 -0.05 0.04 7.50 -1.87 0.12 115.11 119.83 2jtr h GLN 53 Ca -0.07 -0.00 -0.17 0.00 0.50 0.00 0.00 58.65 58.90 2jtr h GLN 53 Cb 0.59 -0.01 0.01 0.00 0.05 0.00 0.00 27.48 28.13 2jtr h GLN 53 CO 0.11 0.09 -0.65 0.66 -1.50 0.00 0.00 178.83 177.55 2jtr h SER 54 N 0.04 0.66 -0.44 1.46 4.64 -1.82 -0.82 113.55 117.27 2jtr h SER 54 Ca 0.01 -0.70 -0.13 0.00 -0.47 0.00 0.00 61.79 60.50 2jtr h SER 54 Cb 0.11 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 2jtr h SER 54 CO 0.01 1.27 -0.23 1.23 -0.87 0.00 0.00 176.83 178.23 2jtr h GLY 55 N 0.12 1.02 0.82 -0.77 0.00 -0.38 0.11 103.07 103.98 2jtr h GLY 55 Ca -0.07 -0.93 0.04 0.00 0.00 0.00 0.00 47.33 46.37 2jtr h GLY 55 CO 0.13 0.85 0.51 1.46 0.00 0.00 0.00 176.54 179.48 2jtr h GLN 56 N 0.78 0.93 -0.43 4.80 4.20 -0.83 -1.86 115.11 122.70 2jtr h GLN 56 Ca 0.10 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.61 2jtr h GLN 56 Cb 0.81 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 2jtr h GLN 56 CO 0.07 0.62 -0.29 0.00 -0.67 0.00 0.00 178.83 178.56 2jtr h ALA 57 N 1.35 0.66 -0.96 3.87 0.00 -0.85 -3.07 119.26 120.27 2jtr h ALA 57 Ca 0.33 -0.42 0.13 0.00 0.00 0.00 0.00 54.91 54.96 2jtr h ALA 57 Cb 0.07 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2jtr h ALA 57 CO -0.13 0.67 0.61 -0.22 0.00 0.00 0.00 179.25 180.18 2jtr h LYS 58 N 0.80 0.84 0.84 0.00 3.64 -0.01 0.71 116.57 123.38 2jtr h LYS 58 Ca 0.09 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2jtr h LYS 58 Cb 0.87 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2jtr h LYS 58 CO 0.08 0.56 -0.40 0.93 -2.27 0.00 0.00 179.45 178.34 2jtr h GLU 59 N 0.87 -1.08 -0.52 1.90 5.08 -1.30 -1.22 114.58 118.30 2jtr h GLU 59 Ca 0.48 0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.85 2jtr h GLU 59 Cb 0.59 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.06 2jtr h GLU 59 CO -0.24 -0.71 0.07 -0.84 -1.00 0.00 0.00 179.01 176.29 2jtr h ILE 60 N -1.17 1.23 -0.29 3.13 3.07 -1.33 -2.27 117.51 119.89 2jtr h ILE 60 Ca -0.11 -0.90 -0.15 0.00 1.55 0.00 0.00 64.86 65.24 2jtr h ILE 60 Cb 0.87 0.76 -0.01 0.00 -0.27 0.00 0.00 36.82 38.17 2jtr h ILE 60 CO 0.19 0.33 -0.43 -0.07 -1.05 0.00 0.00 178.15 177.11 2jtr h LEU 61 N 0.78 0.78 -0.84 0.16 3.38 -0.89 0.19 115.31 118.87 2jtr h LEU 61 Ca 0.16 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 2jtr h LEU 61 Cb 0.37 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2jtr h LEU 61 CO 0.01 1.10 0.39 0.28 0.09 0.00 0.00 178.44 180.31 2jtr h SER 62 N 0.58 1.11 -0.27 -0.43 0.02 -0.91 0.83 113.55 114.48 2jtr h SER 62 Ca 0.04 -0.14 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 2jtr h SER 62 Cb 0.98 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.23 2jtr h SER 62 CO 0.09 0.94 -0.26 -0.33 -1.14 0.00 0.00 176.83 176.13 2jtr h GLU 63 N 1.20 0.77 -0.11 3.45 5.08 -1.00 -2.62 114.58 121.34 2jtr h GLU 63 Ca 0.29 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2jtr h GLU 63 Cb 0.14 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2jtr h GLU 63 CO -0.03 0.94 -0.16 0.52 -1.00 0.00 0.00 179.01 179.28 2jtr h MET 64 N 0.66 0.17 0.00 2.33 2.86 -0.63 -3.47 114.93 116.86 2jtr h MET 64 Ca 0.08 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2jtr h MET 64 Cb 0.78 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.42 2jtr h MET 64 CO 0.06 0.34 0.00 0.41 1.06 0.00 0.00 176.91 178.78 2jtr n GLY 65 N -0.86 0.46 3.04 8.32 0.00 -0.30 -5.07 105.19 110.77 2jtr n GLY 65 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2jtr n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jtr n TYR 66 N 0.00 3.35 0.64 1.61 4.02 0.13 -4.77 117.16 122.14 2jtr n TYR 66 Ca 0.00 -2.59 0.00 0.00 -0.01 0.00 0.00 57.90 55.30 2jtr n TYR 66 Cb 0.00 -2.40 0.00 0.00 -0.02 0.00 0.00 39.34 36.92 2jtr n TYR 66 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2jtr n THR 67 N 5.75 0.00 -1.88 -0.72 -2.24 -1.26 -3.28 114.28 110.66 2jtr n THR 67 Ca 0.50 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.33 2jtr n THR 67 Cb 0.41 -0.26 0.07 0.00 -2.10 0.00 0.00 70.33 68.46 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 0.09 0.00 -3.45 4.78 8.25 -1.26 -5.02 115.22 118.60 2jtr n HIS 68 Ca 0.00 -0.63 -0.37 0.00 -0.26 0.00 0.00 57.72 56.46 2jtr n HIS 68 Cb 0.11 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.19 4.96 -0.03 1.59 1.01 -1.20 -1.44 120.40 124.09 2jtr s VAL 69 Ca 0.23 0.86 0.02 0.00 0.00 0.00 0.00 61.98 63.09 2jtr s VAL 69 Cb 0.24 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.89 2jtr s VAL 69 CO -0.06 0.49 -0.06 -1.61 0.00 0.00 0.00 175.10 173.87 2jtr s GLU 70 N -1.32 0.75 -0.43 2.72 2.02 -0.38 -4.96 118.70 117.09 2jtr s GLU 70 Ca 0.28 -0.16 -0.29 0.00 0.02 0.00 0.00 54.97 54.82 2jtr s GLU 70 Cb -0.17 -0.74 0.02 0.00 0.10 0.00 0.00 34.13 33.34 2jtr s GLU 70 CO 0.16 0.01 1.34 1.21 0.02 0.00 0.00 175.26 178.00 2jtr s ASN 71 N 0.51 6.40 0.36 -0.19 3.04 -1.26 -1.31 114.94 122.48 2jtr s ASN 71 Ca -0.07 0.72 0.11 0.00 0.04 0.00 0.00 52.86 53.66 2jtr s ASN 71 Cb -0.10 -2.54 0.68 0.00 -1.54 0.00 0.00 41.25 37.74 2jtr s ASN 71 CO 0.00 -1.40 1.81 0.00 -3.04 0.00 0.00 177.10 174.47 2jtr h ALA 72 N 10.36 1.35 0.00 1.71 0.00 -1.41 -3.47 119.26 127.81 2jtr h ALA 72 Ca -0.26 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2jtr h ALA 72 Cb 1.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jtr h ALA 72 CO 1.10 0.47 0.00 0.41 0.00 0.00 0.00 179.25 181.24 2jtr n GLY 73 N -0.46 -0.12 3.60 0.00 0.00 -1.26 -4.91 105.19 102.05 2jtr n GLY 73 Ca -0.02 -1.14 -0.25 0.00 0.00 0.00 0.00 46.02 44.61 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 2.11 0.22 -0.02 0.00 -1.26 -4.03 107.32 104.34 2jtr s GLY 74 Ca 0.00 -2.00 -0.12 0.00 0.00 0.00 0.00 44.72 42.60 2jtr s GLY 74 CO 0.00 -1.94 1.62 -2.00 0.00 0.00 0.00 173.10 170.77 2jtr h LEU 75 N 1.88 -0.62 0.00 0.66 5.85 -1.73 -1.09 115.31 120.26 2jtr h LEU 75 Ca -0.43 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 2jtr h LEU 75 Cb 1.25 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 42.70 2jtr h LEU 75 CO 0.68 -0.22 -1.13 0.29 -0.34 0.00 0.00 178.44 177.71 2jtr n LYS 76 N -5.45 0.61 -0.01 1.25 4.76 -1.26 -4.04 118.16 114.02 2jtr n LYS 76 Ca 0.09 0.09 -0.13 0.00 -2.87 0.00 0.00 58.31 55.50 2jtr n LYS 76 Cb 0.37 -1.79 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 2jtr n LYS 76 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 2jtr h ASP 77 N 0.00 0.74 -2.74 4.39 3.58 -1.68 -3.42 116.42 117.29 2jtr h ASP 77 Ca -0.00 -0.44 -0.54 0.00 0.42 0.00 0.00 57.03 56.47 2jtr h ASP 77 Cb 1.01 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.86 2jtr h ASP 77 CO 0.00 1.19 0.96 -0.63 -2.88 0.00 0.00 179.24 177.89 2jtr s ILE 78 N -3.89 3.26 -1.02 2.25 1.01 -0.52 -4.91 121.20 117.37 2jtr s ILE 78 Ca -0.08 0.67 0.28 0.00 0.00 0.00 0.00 60.65 61.52 2jtr s ILE 78 Cb 0.10 -3.43 0.20 0.00 0.01 0.00 0.00 42.46 39.35 2jtr s ILE 78 CO 0.87 -0.01 1.83 0.00 0.00 0.00 0.00 174.94 177.63 2jtr n ALA 79 N 5.64 2.59 -1.28 9.38 0.00 -1.26 -4.90 120.51 130.68 2jtr n ALA 79 Ca 0.15 -0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2jtr n ALA 79 Cb 0.41 -1.40 0.11 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.98 1.93 0.88 0.00 -1.94 -1.26 -5.01 119.30 110.92 2jtr s MET 80 Ca 0.14 1.79 -0.11 0.00 -1.71 0.00 0.00 55.69 55.80 2jtr s MET 80 Cb 0.19 -1.80 0.12 0.00 2.01 0.00 0.00 34.83 35.34 2jtr s MET 80 CO 0.56 -2.00 1.09 -1.25 -0.01 0.00 0.00 175.02 173.41 2jtr s PRO 81 N -3.97 1.37 0.18 2.03 0.04 -1.26 -4.89 135.00 128.50 2jtr s PRO 81 Ca 0.75 0.89 0.08 0.00 0.04 0.00 0.00 61.00 62.76 2jtr s PRO 81 Cb -0.30 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2jtr s PRO 81 CO 0.47 -2.18 -0.16 0.15 0.04 0.00 0.00 177.00 175.32 2jtr s LYS 82 N -4.91 1.27 0.08 4.56 3.01 -1.26 -1.22 119.74 121.26 2jtr s LYS 82 Ca 0.63 -1.48 0.01 0.00 -1.01 0.00 0.00 55.97 54.12 2jtr s LYS 82 Cb -0.18 -1.16 -0.04 0.00 -1.01 0.00 0.00 37.83 35.45 2jtr s LYS 82 CO 0.57 0.21 -0.06 0.14 0.51 0.00 0.00 175.35 176.72 2jtr s VAL 83 N -2.55 0.54 0.28 3.17 -7.23 0.13 -4.78 120.40 109.97 2jtr s VAL 83 Ca 0.18 -1.78 0.09 0.00 -1.81 0.00 0.00 61.98 58.66 2jtr s VAL 83 Cb -0.03 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 2jtr s VAL 83 CO 0.06 -0.84 0.09 -0.54 -0.31 0.00 0.00 175.10 173.56 2jtr s LYS 84 N -3.53 2.47 0.00 4.82 1.02 -1.26 -0.83 119.74 122.43 2jtr s LYS 84 Ca 0.07 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.70 2jtr s LYS 84 Cb 0.04 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 35.08 2jtr s LYS 84 CO -0.05 0.30 0.42 0.41 -0.92 0.00 0.00 175.35 175.51