#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 0.56 -0.05 0.00 2.02 -1.26 -3.07 118.70 116.89 2jtr s GLU 2 Ca 0.00 -0.77 -0.02 0.00 0.02 0.00 0.00 54.97 54.20 2jtr s GLU 2 Cb 0.00 0.21 0.04 0.00 0.10 0.00 0.00 34.13 34.48 2jtr s GLU 2 CO 0.00 -0.13 0.10 -1.01 0.02 0.00 0.00 175.26 174.24 2jtr s HIS 3 N -2.56 -0.06 -0.31 1.61 3.76 -1.12 -4.98 115.29 111.62 2jtr s HIS 3 Ca -0.05 0.38 -0.24 0.00 -0.15 0.00 0.00 55.06 55.00 2jtr s HIS 3 Cb -0.02 -0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.40 2jtr s HIS 3 CO -0.04 -0.18 0.81 -1.58 -0.85 0.00 0.00 174.74 172.89 2jtr s TRP 4 N 1.73 3.20 -0.29 1.40 0.52 -1.26 -1.20 118.94 123.04 2jtr s TRP 4 Ca -0.02 0.85 0.03 0.00 0.02 0.00 0.00 56.10 56.97 2jtr s TRP 4 Cb -0.12 -3.26 0.07 0.00 -1.15 0.00 0.00 33.47 29.01 2jtr s TRP 4 CO -0.04 -0.58 -0.06 0.42 0.02 0.00 0.00 176.95 176.71 2jtr s ILE 5 N 3.01 2.31 0.23 2.03 1.01 -0.28 -1.69 121.20 127.83 2jtr s ILE 5 Ca 0.33 -1.78 -0.30 0.00 0.00 0.00 0.00 60.65 58.91 2jtr s ILE 5 Cb -0.14 -2.44 -0.10 0.00 0.01 0.00 0.00 42.46 39.79 2jtr s ILE 5 CO 0.13 -0.18 1.41 -0.62 0.00 0.00 0.00 174.94 175.67 2jtr s ASP 6 N 1.09 6.72 -0.00 3.58 -1.08 0.21 -3.17 116.67 124.02 2jtr s ASP 6 Ca -0.04 2.60 0.01 0.00 -0.52 0.00 0.00 52.55 54.60 2jtr s ASP 6 Cb -0.20 -2.62 0.03 0.00 -1.46 0.00 0.00 42.92 38.68 2jtr s ASP 6 CO -0.05 -0.66 1.03 1.33 0.52 0.00 0.00 175.17 177.34 2jtr n VAL 7 N 2.43 1.01 -0.74 1.11 0.24 -0.11 -1.23 118.33 121.03 2jtr n VAL 7 Ca 0.07 -1.01 -0.31 0.00 -2.04 0.00 0.00 64.34 61.05 2jtr n VAL 7 Cb 0.41 0.49 0.17 0.00 -1.47 0.00 0.00 33.84 33.44 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 -1.01 0.88 0.65 7.34 1.70 -1.26 -2.01 118.95 125.25 2jtr s ARG 8 Ca 0.03 1.41 -0.18 0.00 -0.47 0.00 0.00 55.73 56.52 2jtr s ARG 8 Cb 0.01 -1.72 -0.02 0.00 -0.57 0.00 0.00 34.95 32.65 2jtr s ARG 8 CO 0.02 -2.68 1.11 1.33 -1.08 0.00 0.00 175.30 174.00 2jtr n VAL 9 N -4.25 4.06 0.15 4.99 0.24 -1.26 -4.15 118.33 118.10 2jtr n VAL 9 Ca 0.10 -0.47 0.02 0.00 -2.04 0.00 0.00 64.34 61.95 2jtr n VAL 9 Cb 0.52 -1.28 0.35 0.00 -1.47 0.00 0.00 33.84 31.97 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 0.31 0.13 0.00 7.34 0.13 -1.98 -0.16 132.00 137.76 2jtr h PRO 10 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2jtr h PRO 10 Cb 1.35 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2jtr h PRO 10 CO 0.51 0.41 0.00 0.39 -0.23 0.00 0.00 178.00 179.08 2jtr n GLU 11 N -4.16 0.04 -0.11 0.86 1.02 -1.26 -2.79 120.64 114.23 2jtr n GLU 11 Ca -0.01 0.21 -0.12 0.00 -0.02 0.00 0.00 57.16 57.22 2jtr n GLU 11 Cb 0.36 -1.56 -0.14 0.00 -0.02 0.00 0.00 31.44 30.08 2jtr n GLU 11 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2jtr n GLN 12 N -1.62 0.75 -0.36 3.49 6.02 -0.15 -4.05 117.38 121.46 2jtr n GLN 12 Ca 0.04 0.04 0.02 0.00 -0.01 0.00 0.00 57.00 57.09 2jtr n GLN 12 Cb 0.23 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.15 2jtr n GLN 12 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2jtr h TYR 13 N 0.00 1.16 -0.32 1.08 3.20 -1.26 -1.02 116.97 119.80 2jtr h TYR 13 Ca -0.54 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.32 2jtr h TYR 13 Cb 2.11 -0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.98 2jtr h TYR 13 CO 0.01 0.61 0.03 1.96 -1.64 0.00 0.00 178.16 179.13 2jtr h GLN 14 N 1.15 0.48 -0.19 1.82 4.20 -1.71 -2.94 115.11 117.92 2jtr h GLN 14 Ca 0.42 -0.09 -0.17 0.00 0.06 0.00 0.00 58.65 58.87 2jtr h GLN 14 Cb 0.14 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2jtr h GLN 14 CO -0.17 0.49 -0.53 1.96 -0.67 0.00 0.00 178.83 179.91 2jtr h GLN 15 N 0.47 0.69 -1.75 1.46 4.20 -1.36 -1.29 115.11 117.53 2jtr h GLN 15 Ca 0.11 -0.49 0.02 0.00 0.06 0.00 0.00 58.65 58.34 2jtr h GLN 15 Cb 0.26 0.08 -0.24 0.00 0.30 0.00 0.00 27.48 27.88 2jtr h GLN 15 CO 0.00 1.11 0.34 -2.00 -0.67 0.00 0.00 178.83 177.62 2jtr s GLU 16 N -3.93 0.66 0.19 1.46 2.12 -0.69 -4.23 118.70 114.29 2jtr s GLU 16 Ca -0.12 0.65 -0.17 0.00 0.36 0.00 0.00 54.97 55.70 2jtr s GLU 16 Cb 0.08 0.32 0.03 0.00 0.26 0.00 0.00 34.13 34.82 2jtr s GLU 16 CO 0.86 -0.11 0.51 -3.38 -0.54 0.00 0.00 175.26 172.61 2jtr s HIS 17 N 0.03 -0.09 0.33 5.30 -3.43 -0.66 -4.25 115.29 112.51 2jtr s HIS 17 Ca 0.01 -0.25 -0.29 0.00 -0.80 0.00 0.00 55.06 53.73 2jtr s HIS 17 Cb -0.04 0.37 -0.12 0.00 -1.43 0.00 0.00 32.58 31.36 2jtr s HIS 17 CO -0.02 -0.91 1.48 0.28 -2.00 0.00 0.00 174.74 173.57 2jtr n VAL 18 N -0.34 1.57 -1.64 -5.38 0.31 -1.26 -0.89 118.33 110.70 2jtr n VAL 18 Ca -0.10 -0.39 -0.43 0.00 -0.01 0.00 0.00 64.34 63.41 2jtr n VAL 18 Cb 0.62 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.67 2jtr n VAL 18 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 2jtr n GLN 19 N 1.19 2.51 -0.93 5.55 7.27 -0.14 -1.39 117.38 131.44 2jtr n GLN 19 Ca 0.05 0.87 0.00 0.00 0.07 0.00 0.00 57.00 57.99 2jtr n GLN 19 Cb 0.37 -3.01 0.00 0.00 2.41 0.00 0.00 30.24 30.01 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 4.91 0.89 3.77 1.69 0.00 -1.26 -4.96 105.19 110.22 2jtr n GLY 20 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.52 3.33 0.88 4.61 0.00 -0.49 -4.94 121.76 121.62 2jtr s ALA 21 Ca 0.00 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 2jtr s ALA 21 Cb 0.00 -3.48 0.12 0.00 0.00 0.00 0.00 23.12 19.76 2jtr s ALA 21 CO 0.00 -0.76 1.14 -1.50 0.00 0.00 0.00 175.76 174.64 2jtr s ILE 22 N -1.23 2.16 -0.06 0.00 2.07 -0.68 -4.85 121.20 118.61 2jtr s ILE 22 Ca 0.54 0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.85 2jtr s ILE 22 Cb -0.38 -2.84 0.02 0.00 0.13 0.00 0.00 42.46 39.38 2jtr s ILE 22 CO 0.50 -0.07 -0.08 0.21 -1.91 0.00 0.00 174.94 173.60 2jtr s ASN 23 N -4.10 1.40 -0.38 4.50 3.04 -1.26 -0.62 114.94 117.51 2jtr s ASN 23 Ca 0.63 -0.21 0.01 0.00 0.04 0.00 0.00 52.86 53.33 2jtr s ASN 23 Cb -0.14 -0.63 0.14 0.00 -1.54 0.00 0.00 41.25 39.08 2jtr s ASN 23 CO 0.53 -0.03 0.22 -0.63 -3.04 0.00 0.00 177.10 174.14 2jtr s ILE 24 N 0.92 0.65 0.69 -5.21 1.01 -0.37 -4.95 121.20 113.93 2jtr s ILE 24 Ca -0.11 -2.01 -0.17 0.00 0.00 0.00 0.00 60.65 58.37 2jtr s ILE 24 Cb -0.15 -1.47 -0.06 0.00 0.01 0.00 0.00 42.46 40.80 2jtr s ILE 24 CO 0.01 -0.94 0.49 -2.65 0.00 0.00 0.00 174.94 171.85 2jtr n PRO 25 N 3.90 0.34 -0.29 2.79 -0.02 -1.26 -4.25 135.00 136.21 2jtr n PRO 25 Ca 0.10 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 61.85 2jtr n PRO 25 Cb 0.36 -1.76 0.28 0.00 -0.02 0.00 0.00 33.50 32.36 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 -0.22 0.10 -1.59 2.45 5.85 -1.66 0.29 115.31 120.53 2jtr h LEU 26 Ca -0.45 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.40 2jtr h LEU 26 Cb 1.36 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.60 2jtr h LEU 26 CO 0.43 -0.09 -0.18 0.11 -0.34 0.00 0.00 178.44 178.37 2jtr h LYS 27 N 0.27 0.04 0.00 1.25 1.79 -1.89 -2.92 116.57 115.12 2jtr h LYS 27 Ca 0.53 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.95 2jtr h LYS 27 Cb 1.03 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 2jtr h LYS 27 CO -0.59 0.22 -0.98 0.93 -1.08 0.00 0.00 179.45 177.94 2jtr h GLU 28 N 0.04 0.00 -0.62 3.15 4.39 -0.78 -3.38 114.58 117.38 2jtr h GLU 28 Ca 0.01 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.84 2jtr h GLU 28 Cb 0.34 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.88 2jtr h GLU 28 CO 0.02 0.09 -0.02 0.28 -1.16 0.00 0.00 179.01 178.22 2jtr h VAL 29 N 0.00 0.47 0.00 3.13 2.07 -1.09 -1.02 116.25 119.82 2jtr h VAL 29 Ca -0.04 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2jtr h VAL 29 Cb 1.15 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2jtr h VAL 29 CO 0.01 0.02 0.02 0.11 0.02 0.00 0.00 177.57 177.76 2jtr h LYS 30 N 0.10 0.00 0.00 1.57 1.57 -1.75 -1.00 116.57 117.06 2jtr h LYS 30 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 2jtr h LYS 30 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2jtr h LYS 30 CO -0.54 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 178.73 2jtr n GLU 31 N -2.45 1.35 0.00 3.15 1.02 -0.44 -4.85 120.64 118.43 2jtr n GLU 31 Ca -0.02 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.82 2jtr n GLU 31 Cb 0.07 -0.78 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 2jtr n GLU 31 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 2jtr n ARG 32 N -0.28 1.96 -0.07 3.49 0.63 -0.89 -4.89 116.66 116.62 2jtr n ARG 32 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 2jtr n ARG 32 Cb 0.02 -0.16 0.37 0.00 0.45 0.00 0.00 32.46 33.14 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 1.13 0.00 5.15 6.09 -1.40 -1.06 117.51 127.42 2jtr h ILE 33 Ca 0.00 -0.24 -0.00 0.00 -1.37 0.00 0.00 64.86 63.25 2jtr h ILE 33 Cb 0.00 0.37 -0.00 0.00 0.47 0.00 0.00 36.82 37.66 2jtr h ILE 33 CO 0.00 0.13 -0.01 0.00 -3.07 0.00 0.00 178.15 175.19 2jtr h ALA 34 N 1.68 1.74 -0.40 0.18 0.00 -1.83 0.42 119.26 121.05 2jtr h ALA 34 Ca 0.19 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 2jtr h ALA 34 Cb -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2jtr h ALA 34 CO -0.04 0.02 -0.31 1.15 0.00 0.00 0.00 179.25 180.07 2jtr h THR 35 N 0.00 1.27 0.00 0.00 2.02 -1.55 -2.99 112.91 111.66 2jtr h THR 35 Ca -0.00 -1.47 -0.07 0.00 0.77 0.00 0.00 66.41 65.64 2jtr h THR 35 Cb 0.03 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 2jtr h THR 35 CO 0.00 0.49 -0.54 0.00 0.37 0.00 0.00 175.52 175.85 2jtr h ALA 36 N 0.90 0.74 -2.47 6.16 0.00 -1.33 -3.40 119.26 119.87 2jtr h ALA 36 Ca 0.08 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 54.06 2jtr h ALA 36 Cb 0.87 -0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.26 2jtr h ALA 36 CO 0.08 0.43 -0.80 0.28 0.00 0.00 0.00 179.25 179.24 2jtr n VAL 37 N -3.09 0.49 0.38 0.00 0.31 0.04 -4.96 118.33 111.49 2jtr n VAL 37 Ca 0.01 -4.35 0.12 0.00 -0.01 0.00 0.00 64.34 60.11 2jtr n VAL 37 Cb 0.68 -1.97 0.50 0.00 -0.91 0.00 0.00 33.84 32.14 2jtr n VAL 37 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jtr n PRO 38 N 1.87 0.19 -3.79 5.55 -0.04 -1.14 -4.46 135.00 133.18 2jtr n PRO 38 Ca 0.25 0.44 -0.13 0.00 -0.04 0.00 0.00 63.50 64.03 2jtr n PRO 38 Cb 0.44 -1.88 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 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 -4.25 -0.21 0.61 3.54 -1.08 -1.26 -5.06 116.67 108.96 2jtr s ASP 39 Ca 0.04 0.41 0.32 0.00 -0.52 0.00 0.00 52.55 52.80 2jtr s ASP 39 Cb 0.09 0.40 1.83 0.00 -1.46 0.00 0.00 42.92 43.77 2jtr s ASP 39 CO 0.38 -0.08 2.16 0.07 0.52 0.00 0.00 175.17 178.21 2jtr h LYS 40 N 6.05 0.00 0.00 4.34 2.10 -1.97 -2.09 116.57 125.00 2jtr h LYS 40 Ca -0.28 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.32 2jtr h LYS 40 Cb 1.19 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2jtr h LYS 40 CO 0.38 0.00 -0.23 -0.97 -2.00 0.00 0.00 179.45 176.63 2jtr h ASN 41 N 0.00 0.00 -3.95 7.07 -1.24 -1.97 -3.39 115.58 112.10 2jtr h ASN 41 Ca 0.05 0.00 -0.51 0.00 0.71 0.00 0.00 56.30 56.54 2jtr h ASN 41 Cb 0.34 0.00 0.07 0.00 0.73 0.00 0.00 38.32 39.45 2jtr h ASN 41 CO -0.00 0.23 0.54 -0.62 -1.29 0.00 0.00 177.43 176.29 2jtr s ASP 42 N -6.41 6.37 0.37 1.15 2.15 -0.79 -4.90 116.67 114.61 2jtr s ASP 42 Ca -0.02 2.45 -0.25 0.00 0.43 0.00 0.00 52.55 55.17 2jtr s ASP 42 Cb 0.13 -2.62 -0.10 0.00 -0.30 0.00 0.00 42.92 40.03 2jtr s ASP 42 CO 0.64 -0.79 0.99 -0.89 -0.17 0.00 0.00 175.17 174.95 2jtr s THR 43 N -1.37 4.04 -0.01 1.71 2.01 -1.18 -4.75 115.64 116.08 2jtr s THR 43 Ca 0.58 1.58 0.01 0.00 0.31 0.00 0.00 61.69 64.17 2jtr s THR 43 Cb -0.33 -3.82 0.01 0.00 0.01 0.00 0.00 72.50 68.36 2jtr s THR 43 CO 0.42 0.03 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.65 2jtr s VAL 44 N -1.70 0.34 -0.15 3.82 1.01 -0.17 -2.80 120.40 120.74 2jtr s VAL 44 Ca 0.55 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.41 2jtr s VAL 44 Cb -0.19 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.89 2jtr s VAL 44 CO 0.24 0.12 -0.16 -0.54 0.00 0.00 0.00 175.10 174.77 2jtr s LYS 45 N 0.25 2.46 -0.02 2.72 1.02 -0.34 -1.78 119.74 124.05 2jtr s LYS 45 Ca -0.02 -0.63 0.05 0.00 0.02 0.00 0.00 55.97 55.39 2jtr s LYS 45 Cb -0.06 -2.18 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 2jtr s LYS 45 CO -0.00 -0.19 -0.15 0.14 -0.92 0.00 0.00 175.35 174.22 2jtr s VAL 46 N 1.34 2.98 0.26 3.17 -7.23 -0.39 -1.12 120.40 119.41 2jtr s VAL 46 Ca 0.03 -0.88 -0.12 0.00 -1.81 0.00 0.00 61.98 59.19 2jtr s VAL 46 Cb -0.13 -2.20 -0.00 0.00 0.56 0.00 0.00 36.38 34.61 2jtr s VAL 46 CO -0.09 0.50 0.49 -0.72 -0.31 0.00 0.00 175.10 174.97 2jtr s TYR 47 N -0.80 0.39 0.00 2.82 -0.85 -1.19 -1.22 117.35 116.49 2jtr s TYR 47 Ca 0.13 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 55.93 2jtr s TYR 47 Cb -0.11 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.44 2jtr s TYR 47 CO 0.02 -1.03 0.00 0.00 -1.52 0.00 0.00 175.55 173.03 2jtr h ASN 49 N 0.00 -0.61 -0.07 0.00 -0.00 -1.95 0.31 115.58 113.26 2jtr h ASN 49 Ca 0.00 0.12 -0.17 0.00 -0.00 0.00 0.00 56.30 56.25 2jtr h ASN 49 Cb 0.00 0.30 -0.34 0.00 -0.00 0.00 0.00 38.32 38.28 2jtr h ASN 49 CO 0.00 -0.23 -0.97 0.00 -0.00 0.00 0.00 177.43 176.23 2jtr n ALA 50 N -2.71 2.64 0.00 1.57 0.00 -1.26 -3.10 120.51 117.64 2jtr n ALA 50 Ca -0.01 -2.57 0.00 0.00 0.00 0.00 0.00 53.44 50.86 2jtr n ALA 50 Cb 0.26 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.01 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 0.11 2.42 0.19 0.00 0.00 -1.25 -4.83 105.19 101.83 2jtr n GLY 51 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 0.51 0.58 -0.30 1.61 2.47 -1.93 0.91 114.38 118.24 2jtr h ARG 52 Ca 0.00 -0.19 -0.05 0.00 -1.26 0.00 0.00 59.98 58.48 2jtr h ARG 52 Cb 0.00 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 2jtr h ARG 52 CO 0.00 0.72 -0.04 1.96 0.56 0.00 0.00 179.97 183.17 2jtr h GLN 53 N 0.38 0.46 0.14 0.04 7.50 -1.89 -1.44 115.11 120.31 2jtr h GLN 53 Ca 0.09 -0.10 -0.28 0.00 0.50 0.00 0.00 58.65 58.86 2jtr h GLN 53 Cb 0.46 -0.07 0.01 0.00 0.05 0.00 0.00 27.48 27.94 2jtr h GLN 53 CO 0.02 0.52 -1.27 0.66 -1.50 0.00 0.00 178.83 177.26 2jtr h SER 54 N 0.44 0.49 -0.26 1.46 4.64 -1.70 0.10 113.55 118.73 2jtr h SER 54 Ca 0.09 -0.52 -0.02 0.00 -0.47 0.00 0.00 61.79 60.88 2jtr h SER 54 Cb 0.35 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 2jtr h SER 54 CO 0.01 1.40 0.10 1.23 -0.87 0.00 0.00 176.83 178.71 2jtr h GLY 55 N 1.38 0.43 0.69 -0.77 0.00 -0.80 0.49 103.07 104.49 2jtr h GLY 55 Ca -0.15 -0.24 0.06 0.00 0.00 0.00 0.00 47.33 46.99 2jtr h GLY 55 CO 0.21 0.23 0.37 1.46 0.00 0.00 0.00 176.54 178.81 2jtr h GLN 56 N 0.27 0.67 -0.39 4.80 4.20 -1.25 -0.89 115.11 122.52 2jtr h GLN 56 Ca 0.09 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.70 2jtr h GLN 56 Cb 0.20 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2jtr h GLN 56 CO -0.01 0.45 0.04 0.00 -0.67 0.00 0.00 178.83 178.64 2jtr h ALA 57 N 1.34 0.52 -0.98 3.87 0.00 -0.55 -2.02 119.26 121.45 2jtr h ALA 57 Ca 0.30 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.00 2jtr h ALA 57 Cb 0.17 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 2jtr h ALA 57 CO -0.18 0.25 0.64 -0.22 0.00 0.00 0.00 179.25 179.75 2jtr h LYS 58 N 0.50 1.23 0.27 0.00 3.64 -0.48 -0.77 116.57 120.96 2jtr h LYS 58 Ca 0.12 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2jtr h LYS 58 Cb 0.41 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2jtr h LYS 58 CO 0.01 0.81 -0.13 0.93 -2.27 0.00 0.00 179.45 178.81 2jtr h GLU 59 N 1.27 -0.35 -0.32 1.90 5.08 -0.88 -0.55 114.58 120.73 2jtr h GLU 59 Ca 0.38 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.70 2jtr h GLU 59 Cb -0.05 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2jtr h GLU 59 CO -0.11 -0.14 -0.09 -0.84 -1.00 0.00 0.00 179.01 176.83 2jtr h ILE 60 N -0.51 1.22 -0.26 3.13 3.07 -1.16 -1.79 117.51 121.21 2jtr h ILE 60 Ca -0.04 -0.97 -0.13 0.00 1.55 0.00 0.00 64.86 65.27 2jtr h ILE 60 Cb 0.38 1.08 -0.01 0.00 -0.27 0.00 0.00 36.82 38.00 2jtr h ILE 60 CO 0.06 0.32 -0.39 -0.07 -1.05 0.00 0.00 178.15 177.02 2jtr h LEU 61 N 0.50 0.63 -0.89 0.16 3.38 -1.04 0.11 115.31 118.16 2jtr h LEU 61 Ca 0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.74 2jtr h LEU 61 Cb 0.46 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2jtr h LEU 61 CO 0.02 0.96 0.30 0.28 0.09 0.00 0.00 178.44 180.10 2jtr h SER 62 N 0.49 1.02 -0.37 -0.43 0.02 -0.71 -0.10 113.55 113.47 2jtr h SER 62 Ca 0.04 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 60.74 2jtr h SER 62 Cb 0.90 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2jtr h SER 62 CO 0.08 0.90 -0.16 -0.08 -1.14 0.00 0.00 176.83 176.43 2jtr h GLU 63 N 1.09 0.76 -0.01 3.45 4.22 -0.79 -2.92 114.58 120.38 2jtr h GLU 63 Ca 0.25 -0.33 -0.04 0.00 0.08 0.00 0.00 59.36 59.33 2jtr h GLU 63 Cb 0.20 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 2jtr h GLU 63 CO -0.02 0.94 -0.18 0.52 -2.18 0.00 0.00 179.01 178.09 2jtr h MET 64 N 0.55 0.01 0.00 1.92 2.86 -0.57 -3.47 114.93 116.24 2jtr h MET 64 Ca 0.08 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.72 2jtr h MET 64 Cb 0.70 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 2jtr h MET 64 CO 0.05 0.20 0.00 0.41 1.06 0.00 0.00 176.91 178.63 2jtr n GLY 65 N -1.00 0.78 3.78 8.32 0.00 -0.29 -5.08 105.19 111.69 2jtr n GLY 65 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.55 2.84 -0.00 1.61 1.51 -0.21 -4.97 117.35 116.58 2jtr s TYR 66 Ca 0.00 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 2jtr s TYR 66 Cb 0.00 -3.29 0.00 0.00 -0.11 0.00 0.00 41.96 38.56 2jtr s TYR 66 CO 0.00 -1.39 0.66 0.25 -1.11 0.00 0.00 175.55 173.95 2jtr n THR 67 N -0.82 0.31 -2.33 -0.71 -2.24 -1.26 -4.18 114.28 103.05 2jtr n THR 67 Ca 0.09 -0.31 0.01 0.00 -2.27 0.00 0.00 64.05 61.57 2jtr n THR 67 Cb 0.50 0.84 0.07 0.00 -2.10 0.00 0.00 70.33 69.64 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 0.53 -4.47 4.78 8.25 -1.26 -5.05 115.22 117.85 2jtr n HIS 68 Ca 0.00 -1.23 -0.34 0.00 -0.26 0.00 0.00 57.72 55.89 2jtr n HIS 68 Cb 0.42 -0.21 -0.10 0.00 1.12 0.00 0.00 29.99 31.22 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 -1.95 4.05 0.02 1.59 1.01 -1.26 -1.00 120.40 122.85 2jtr s VAL 69 Ca 0.35 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.99 2jtr s VAL 69 Cb 0.37 -2.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.05 2jtr s VAL 69 CO -0.10 0.59 -0.03 -0.70 0.00 0.00 0.00 175.10 174.86 2jtr s GLU 70 N -0.70 0.27 -0.42 2.72 2.56 -0.73 -4.98 118.70 117.42 2jtr s GLU 70 Ca 0.11 -0.42 -0.27 0.00 0.00 0.00 0.00 54.97 54.39 2jtr s GLU 70 Cb -0.12 -0.03 0.02 0.00 2.00 0.00 0.00 34.13 36.01 2jtr s GLU 70 CO 0.02 -0.01 0.99 1.21 -0.56 0.00 0.00 175.26 176.91 2jtr s ASN 71 N -0.94 6.64 0.44 -1.70 3.04 -1.26 -1.26 114.94 119.90 2jtr s ASN 71 Ca -0.09 0.46 0.18 0.00 0.04 0.00 0.00 52.86 53.44 2jtr s ASN 71 Cb -0.06 -2.49 1.01 0.00 -1.54 0.00 0.00 41.25 38.17 2jtr s ASN 71 CO -0.00 -1.01 1.94 0.00 -3.04 0.00 0.00 177.10 174.99 2jtr h ALA 72 N 8.79 1.44 0.00 1.71 0.00 -1.51 -3.47 119.26 126.22 2jtr h ALA 72 Ca -0.23 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jtr h ALA 72 Cb 1.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2jtr h ALA 72 CO 1.03 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.99 2jtr n GLY 73 N -0.67 0.33 3.53 0.00 0.00 -1.26 -4.87 105.19 102.25 2jtr n GLY 73 Ca -0.02 -1.34 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 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 1.74 0.30 -0.02 0.00 -1.26 -4.17 107.32 103.92 2jtr s GLY 74 Ca 0.00 -1.61 0.04 0.00 0.00 0.00 0.00 44.72 43.16 2jtr s GLY 74 CO 0.00 -1.65 1.82 -2.00 0.00 0.00 0.00 173.10 171.28 2jtr h LEU 75 N 2.73 0.83 -0.56 0.66 5.85 -0.86 -0.05 115.31 123.91 2jtr h LEU 75 Ca -0.45 0.06 -0.16 0.00 0.84 0.00 0.00 57.88 58.17 2jtr h LEU 75 Cb 1.22 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 2jtr h LEU 75 CO 0.54 0.39 -0.70 0.11 -0.34 0.00 0.00 178.44 178.45 2jtr h LYS 76 N 0.86 0.15 0.13 1.25 1.57 -1.86 -3.30 116.57 115.36 2jtr h LYS 76 Ca 0.51 -0.12 -0.29 0.00 -1.87 0.00 0.00 60.65 58.88 2jtr h LYS 76 Cb 0.67 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.01 2jtr h LYS 76 CO -0.29 0.78 -1.41 0.22 -0.57 0.00 0.00 179.45 178.19 2jtr h ASP 77 N 0.10 0.42 -2.60 0.86 3.58 -1.43 -3.46 116.42 113.88 2jtr h ASP 77 Ca -0.02 -0.51 -0.52 0.00 0.42 0.00 0.00 57.03 56.40 2jtr h ASP 77 Cb 1.24 -0.14 0.06 0.00 1.72 0.00 0.00 39.33 42.21 2jtr h ASP 77 CO 0.10 1.41 1.03 -0.38 -2.88 0.00 0.00 179.24 178.53 2jtr n ILE 78 N -3.49 0.08 1.22 2.25 5.41 -0.28 -4.91 119.36 119.65 2jtr n ILE 78 Ca -0.13 -0.02 0.14 0.00 1.00 0.00 0.00 62.75 63.75 2jtr n ILE 78 Cb 1.04 -2.01 0.62 0.00 -0.71 0.00 0.00 39.64 38.58 2jtr n ILE 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jtr n ALA 79 N 4.35 2.61 -1.26 -1.39 0.00 -1.26 -4.90 120.51 118.66 2jtr n ALA 79 Ca 0.17 -0.18 -0.34 0.00 0.00 0.00 0.00 53.44 53.09 2jtr n ALA 79 Cb 0.35 -1.41 0.11 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.75 1.85 0.99 0.00 -1.94 -1.26 -5.02 119.30 111.16 2jtr s MET 80 Ca 0.21 1.84 -0.12 0.00 -1.71 0.00 0.00 55.69 55.91 2jtr s MET 80 Cb 0.19 -1.79 0.18 0.00 2.01 0.00 0.00 34.83 35.43 2jtr s MET 80 CO 0.52 -2.08 1.08 -1.25 -0.01 0.00 0.00 175.02 173.28 2jtr s PRO 81 N -3.95 0.48 0.37 2.03 0.04 -1.26 -4.91 135.00 127.79 2jtr s PRO 81 Ca 0.75 0.75 0.04 0.00 0.04 0.00 0.00 61.00 62.58 2jtr s PRO 81 Cb -0.31 -1.72 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2jtr s PRO 81 CO 0.48 -2.76 0.09 0.15 0.04 0.00 0.00 177.00 175.00 2jtr s LYS 82 N -4.84 1.78 0.15 4.56 3.01 -1.26 -0.96 119.74 122.18 2jtr s LYS 82 Ca 0.65 -2.04 -0.08 0.00 -1.01 0.00 0.00 55.97 53.49 2jtr s LYS 82 Cb -0.20 -0.77 -0.01 0.00 -1.01 0.00 0.00 37.83 35.84 2jtr s LYS 82 CO 0.59 -0.32 0.24 0.54 0.51 0.00 0.00 175.35 176.91 2jtr s VAL 83 N -3.26 0.08 0.05 3.17 0.11 -0.07 -4.42 120.40 116.07 2jtr s VAL 83 Ca 0.30 -1.40 -0.08 0.00 -2.93 0.00 0.00 61.98 57.86 2jtr s VAL 83 Cb 0.06 -1.76 -0.00 0.00 -1.53 0.00 0.00 36.38 33.14 2jtr s VAL 83 CO 0.14 -0.39 0.17 -0.54 -3.33 0.00 0.00 175.10 171.16 2jtr s LYS 84 N -3.95 0.72 0.00 1.54 1.02 -1.26 -1.66 119.74 116.15 2jtr s LYS 84 Ca 0.15 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.38 2jtr s LYS 84 Cb 0.04 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.64 2jtr s LYS 84 CO -0.02 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.61