#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 0.87 -0.01 0.00 -1.05 -1.26 -1.63 118.70 115.62 2jtr s GLU 2 Ca 0.00 -1.05 0.00 0.00 -0.15 0.00 0.00 54.97 53.77 2jtr s GLU 2 Cb 0.00 0.33 0.01 0.00 -0.44 0.00 0.00 34.13 34.02 2jtr s GLU 2 CO 0.00 -0.27 0.00 -1.01 0.95 0.00 0.00 175.26 174.93 2jtr s HIS 3 N -3.89 0.07 -0.28 4.83 3.76 -0.73 -4.91 115.29 114.13 2jtr s HIS 3 Ca 0.08 0.02 -0.20 0.00 -0.15 0.00 0.00 55.06 54.80 2jtr s HIS 3 Cb 0.05 -0.10 -0.01 0.00 1.11 0.00 0.00 32.58 33.62 2jtr s HIS 3 CO -0.09 -0.03 0.63 -1.58 -0.85 0.00 0.00 174.74 172.83 2jtr s TRP 4 N 0.28 3.25 -0.28 1.40 0.52 -1.26 -1.58 118.94 121.26 2jtr s TRP 4 Ca -0.02 0.71 -0.00 0.00 0.02 0.00 0.00 56.10 56.80 2jtr s TRP 4 Cb -0.04 -2.92 0.08 0.00 -1.15 0.00 0.00 33.47 29.45 2jtr s TRP 4 CO -0.01 -0.40 0.04 0.42 0.02 0.00 0.00 176.95 177.03 2jtr s ILE 5 N 2.57 1.15 0.47 2.03 1.01 -0.45 -1.62 121.20 126.36 2jtr s ILE 5 Ca 0.26 -1.33 -0.24 0.00 0.00 0.00 0.00 60.65 59.34 2jtr s ILE 5 Cb -0.15 -1.72 -0.07 0.00 0.01 0.00 0.00 42.46 40.53 2jtr s ILE 5 CO 0.10 -0.45 1.27 -0.62 0.00 0.00 0.00 174.94 175.25 2jtr s ASP 6 N 1.52 5.94 -0.04 3.58 -1.08 0.22 -2.34 116.67 124.46 2jtr s ASP 6 Ca 0.04 2.57 0.06 0.00 -0.52 0.00 0.00 52.55 54.71 2jtr s ASP 6 Cb -0.18 -2.63 0.10 0.00 -1.46 0.00 0.00 42.92 38.75 2jtr s ASP 6 CO -0.15 -1.10 0.96 1.33 0.52 0.00 0.00 175.17 176.73 2jtr n VAL 7 N -0.44 0.90 -0.67 1.11 0.24 -0.03 -0.59 118.33 118.85 2jtr n VAL 7 Ca 0.07 -1.03 -0.31 0.00 -2.04 0.00 0.00 64.34 61.03 2jtr n VAL 7 Cb 0.45 0.35 0.17 0.00 -1.47 0.00 0.00 33.84 33.34 2jtr n VAL 7 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2jtr n ARG 8 N -0.61 -0.65 -1.62 7.34 1.74 -1.26 -1.72 116.66 119.86 2jtr n ARG 8 Ca 0.05 -0.13 -0.39 0.00 -0.77 0.00 0.00 57.85 56.61 2jtr n ARG 8 Cb 0.52 -2.28 0.03 0.00 -1.02 0.00 0.00 32.46 29.71 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 -4.25 3.14 0.17 1.55 0.24 -1.26 -4.06 118.33 113.86 2jtr n VAL 9 Ca 0.10 -0.50 0.06 0.00 -2.04 0.00 0.00 64.34 61.96 2jtr n VAL 9 Cb 0.53 -1.21 0.54 0.00 -1.47 0.00 0.00 33.84 32.22 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 1.02 0.18 0.00 7.34 0.13 -1.96 -0.90 132.00 137.80 2jtr h PRO 10 Ca -0.47 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.51 2jtr h PRO 10 Cb 1.35 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 2jtr h PRO 10 CO 0.54 0.16 -0.61 0.93 -0.23 0.00 0.00 178.00 178.79 2jtr h GLU 11 N 0.18 0.00 0.03 0.86 5.08 -2.02 -3.21 114.58 115.51 2jtr h GLU 11 Ca 0.05 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.15 2jtr h GLU 11 Cb 0.06 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2jtr h GLU 11 CO -0.00 0.61 -1.37 1.96 -1.00 0.00 0.00 179.01 179.21 2jtr h GLN 12 N 0.00 0.07 -0.42 2.33 4.20 -1.54 -3.32 115.11 116.43 2jtr h GLN 12 Ca -0.01 -0.12 0.08 0.00 0.06 0.00 0.00 58.65 58.66 2jtr h GLN 12 Cb 1.10 0.05 -0.07 0.00 0.30 0.00 0.00 27.48 28.85 2jtr h GLN 12 CO 0.08 0.88 -0.04 -0.92 -0.67 0.00 0.00 178.83 178.16 2jtr h TYR 13 N 0.02 -0.11 0.00 2.96 3.20 -1.39 -2.73 116.97 118.92 2jtr h TYR 13 Ca -0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.74 2jtr h TYR 13 Cb 1.91 0.11 0.00 0.00 1.54 0.00 0.00 36.73 40.30 2jtr h TYR 13 CO 0.02 -0.13 0.00 1.96 -1.64 0.00 0.00 178.16 178.37 2jtr h GLN 14 N 0.06 0.00 -0.06 1.82 4.20 -1.65 -3.15 115.11 116.33 2jtr h GLN 14 Ca 0.21 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.81 2jtr h GLN 14 Cb 0.31 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 2jtr h GLN 14 CO -0.38 0.00 -0.45 1.96 -0.67 0.00 0.00 178.83 179.29 2jtr h GLN 15 N 0.00 0.15 0.00 1.46 1.08 -1.65 -1.30 115.11 114.86 2jtr h GLN 15 Ca 0.00 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2jtr h GLN 15 Cb 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 2jtr h GLN 15 CO 0.00 0.57 0.00 -1.91 -0.95 0.00 0.00 178.83 176.54 2jtr n GLU 16 N -4.00 0.00 -3.88 1.46 2.13 -1.19 -4.73 120.64 110.44 2jtr n GLU 16 Ca -0.02 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.71 2jtr n GLU 16 Cb 0.49 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.13 2jtr n GLU 16 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2jtr s HIS 17 N -0.35 0.22 0.29 4.31 -3.43 0.20 -4.87 115.29 111.66 2jtr s HIS 17 Ca 0.00 -0.61 -0.30 0.00 -0.80 0.00 0.00 55.06 53.35 2jtr s HIS 17 Cb 0.00 -0.03 -0.11 0.00 -1.43 0.00 0.00 32.58 31.01 2jtr s HIS 17 CO 0.00 -0.62 1.49 0.08 -2.00 0.00 0.00 174.74 173.69 2jtr s VAL 18 N -3.90 2.34 0.45 -5.38 1.01 -1.26 -0.73 120.40 112.93 2jtr s VAL 18 Ca 0.09 0.30 -0.25 0.00 0.00 0.00 0.00 61.98 62.12 2jtr s VAL 18 Cb 0.04 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.15 2jtr s VAL 18 CO -0.07 0.05 1.43 -1.58 0.00 0.00 0.00 175.10 174.93 2jtr s GLN 19 N -0.83 3.67 -0.53 2.72 0.74 -0.34 -3.67 119.66 121.42 2jtr s GLN 19 Ca 0.59 2.42 -0.02 0.00 0.05 0.00 0.00 55.36 58.40 2jtr s GLN 19 Cb -0.45 -2.65 0.00 0.00 1.10 0.00 0.00 33.01 31.02 2jtr s GLN 19 CO 0.49 -0.83 0.45 0.41 -0.55 0.00 0.00 175.29 175.26 2jtr n GLY 20 N 0.58 0.19 3.34 2.59 0.00 -1.26 -4.97 105.19 105.66 2jtr n GLY 20 Ca 0.05 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.14 2.11 0.39 4.61 0.00 -1.24 -4.65 121.76 119.84 2jtr s ALA 21 Ca 0.10 -1.84 0.04 0.00 0.00 0.00 0.00 51.96 50.25 2jtr s ALA 21 Cb -0.04 1.30 -0.03 0.00 0.00 0.00 0.00 23.12 24.34 2jtr s ALA 21 CO 0.31 -0.58 0.12 -1.50 0.00 0.00 0.00 175.76 174.10 2jtr s ILE 22 N -3.41 0.69 -0.01 0.00 2.07 -0.64 -5.03 121.20 114.88 2jtr s ILE 22 Ca 0.36 -2.00 0.04 0.00 -1.41 0.00 0.00 60.65 57.64 2jtr s ILE 22 Cb 0.02 -2.44 -0.01 0.00 0.13 0.00 0.00 42.46 40.17 2jtr s ILE 22 CO 0.24 0.00 -0.13 0.21 -1.91 0.00 0.00 174.94 173.35 2jtr s ASN 23 N -3.57 1.50 -0.38 4.50 3.84 -1.26 -0.61 114.94 118.96 2jtr s ASN 23 Ca 0.27 -0.23 0.02 0.00 0.21 0.00 0.00 52.86 53.12 2jtr s ASN 23 Cb 0.04 -0.18 0.15 0.00 -0.55 0.00 0.00 41.25 40.71 2jtr s ASN 23 CO 0.15 0.15 0.27 -0.63 -2.79 0.00 0.00 177.10 174.25 2jtr s ILE 24 N -0.27 0.24 0.52 -5.21 -1.09 0.24 -4.93 121.20 110.69 2jtr s ILE 24 Ca 0.04 -2.16 -0.22 0.00 -2.23 0.00 0.00 60.65 56.08 2jtr s ILE 24 Cb -0.05 -1.18 -0.07 0.00 -1.58 0.00 0.00 42.46 39.58 2jtr s ILE 24 CO -0.00 -1.11 1.21 -2.65 -1.23 0.00 0.00 174.94 171.16 2jtr n PRO 25 N 3.47 1.53 0.16 2.79 -0.02 -1.26 -4.31 135.00 137.35 2jtr n PRO 25 Ca 0.21 0.56 0.19 0.00 -2.02 0.00 0.00 63.50 62.43 2jtr n PRO 25 Cb 0.42 -2.38 0.79 0.00 -0.02 0.00 0.00 33.50 32.31 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 1.38 0.00 -1.68 2.45 5.85 -1.51 0.14 115.31 121.94 2jtr h LEU 26 Ca -0.49 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 2jtr h LEU 26 Cb 1.32 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 2jtr h LEU 26 CO 0.56 0.00 -0.10 0.11 -0.34 0.00 0.00 178.44 178.67 2jtr h LYS 27 N 0.00 0.00 0.00 1.25 1.79 -1.89 -3.35 116.57 114.37 2jtr h LYS 27 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2jtr h LYS 27 Cb 0.79 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 2jtr h LYS 27 CO -0.00 0.10 -0.00 0.39 -1.08 0.00 0.00 179.45 178.86 2jtr n GLU 28 N -3.36 3.07 -0.31 3.15 1.02 0.11 -4.91 120.64 119.41 2jtr n GLU 28 Ca -0.01 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.29 2jtr n GLU 28 Cb 0.29 -0.22 0.35 0.00 -0.02 0.00 0.00 31.44 31.84 2jtr n GLU 28 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2jtr h VAL 29 N 0.00 0.37 -0.09 2.62 3.04 -0.98 -0.01 116.25 121.20 2jtr h VAL 29 Ca 0.00 -0.11 0.03 0.00 -1.01 0.00 0.00 66.70 65.61 2jtr h VAL 29 Cb 0.00 0.03 -0.00 0.00 -2.01 0.00 0.00 31.29 29.30 2jtr h VAL 29 CO 0.00 0.06 0.11 0.11 -1.01 0.00 0.00 177.57 176.83 2jtr h LYS 30 N 0.32 0.00 -0.12 4.17 1.79 -1.87 0.33 116.57 121.19 2jtr h LYS 30 Ca 0.60 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.07 2jtr h LYS 30 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 2jtr h LYS 30 CO -0.59 0.00 0.00 0.39 -1.08 0.00 0.00 179.45 178.17 2jtr n GLU 31 N -3.79 1.65 0.00 3.15 -0.58 -0.05 -4.76 120.64 116.27 2jtr n GLU 31 Ca -0.01 -1.41 0.00 0.00 -0.42 0.00 0.00 57.16 55.32 2jtr n GLU 31 Cb 0.21 -1.14 0.00 0.00 -0.57 0.00 0.00 31.44 29.94 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 0.18 2.75 -0.02 3.49 0.63 -0.66 -4.85 116.66 118.18 2jtr n ARG 32 Ca 0.05 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.99 2jtr n ARG 32 Cb 0.27 -0.58 0.33 0.00 0.45 0.00 0.00 32.46 32.92 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 1.17 -0.12 5.15 6.09 -1.23 -2.25 117.51 126.32 2jtr h ILE 33 Ca 0.00 -0.58 0.04 0.00 -1.37 0.00 0.00 64.86 62.95 2jtr h ILE 33 Cb 0.08 0.74 -0.00 0.00 0.47 0.00 0.00 36.82 38.11 2jtr h ILE 33 CO 0.00 0.21 0.09 0.00 -3.07 0.00 0.00 178.15 175.38 2jtr h ALA 34 N 1.57 2.11 -0.37 0.18 0.00 -1.82 0.64 119.26 121.56 2jtr h ALA 34 Ca 0.13 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2jtr h ALA 34 Cb 0.18 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2jtr h ALA 34 CO -0.01 -0.15 -0.12 1.15 0.00 0.00 0.00 179.25 180.12 2jtr h THR 35 N 0.00 1.25 0.00 0.00 2.02 -1.75 -2.86 112.91 111.57 2jtr h THR 35 Ca 0.06 -1.12 -0.15 0.00 0.77 0.00 0.00 66.41 65.96 2jtr h THR 35 Cb 0.23 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 2jtr h THR 35 CO -0.00 0.37 -1.39 0.00 0.37 0.00 0.00 175.52 174.87 2jtr n ALA 36 N -2.48 1.98 -3.42 6.16 0.00 -0.44 -4.67 120.51 117.65 2jtr n ALA 36 Ca 0.01 -0.52 -0.27 0.00 0.00 0.00 0.00 53.44 52.66 2jtr n ALA 36 Cb 0.35 -0.97 -0.10 0.00 0.00 0.00 0.00 19.45 18.74 2jtr n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jtr n VAL 37 N -2.86 -0.69 0.84 0.00 0.31 0.09 -4.95 118.33 111.07 2jtr n VAL 37 Ca -0.09 -3.75 0.10 0.00 -0.01 0.00 0.00 64.34 60.60 2jtr n VAL 37 Cb 0.82 -1.78 0.49 0.00 -0.91 0.00 0.00 33.84 32.45 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 2.44 0.11 -3.81 5.55 -0.04 -1.09 -4.39 135.00 133.77 2jtr n PRO 38 Ca 0.27 0.12 -0.13 0.00 -0.04 0.00 0.00 63.50 63.71 2jtr n PRO 38 Cb 0.47 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.85 -0.01 0.38 3.54 -1.08 -1.26 -5.06 116.67 110.33 2jtr s ASP 39 Ca 0.14 0.09 0.28 0.00 -0.52 0.00 0.00 52.55 52.54 2jtr s ASP 39 Cb 0.14 0.03 1.25 0.00 -1.46 0.00 0.00 42.92 42.88 2jtr s ASP 39 CO 0.37 -0.08 1.83 0.11 0.52 0.00 0.00 175.17 177.92 2jtr h LYS 40 N 6.72 0.00 0.00 4.34 1.57 -1.91 -2.60 116.57 124.69 2jtr h LYS 40 Ca -0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 2jtr h LYS 40 Cb 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2jtr h LYS 40 CO 0.48 0.00 0.00 -2.95 -0.57 0.00 0.00 179.45 176.41 2jtr h ASN 41 N 0.00 0.00 -3.98 0.86 7.08 -1.97 -3.32 115.58 114.25 2jtr h ASN 41 Ca 0.00 0.00 -0.49 0.00 -3.08 0.00 0.00 56.30 52.73 2jtr h ASN 41 Cb 0.30 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 36.57 2jtr h ASN 41 CO 0.00 0.00 0.43 -0.62 -2.08 0.00 0.00 177.43 175.16 2jtr s ASP 42 N -5.82 6.55 0.21 6.14 2.15 -0.98 -4.83 116.67 120.09 2jtr s ASP 42 Ca 0.04 2.10 -0.30 0.00 0.43 0.00 0.00 52.55 54.82 2jtr s ASP 42 Cb 0.07 -2.59 -0.08 0.00 -0.30 0.00 0.00 42.92 40.03 2jtr s ASP 42 CO 0.59 -0.64 1.00 -0.89 -0.17 0.00 0.00 175.17 175.06 2jtr s THR 43 N -1.66 4.04 -0.47 1.71 2.01 -0.64 -4.68 115.64 115.94 2jtr s THR 43 Ca 0.60 1.91 0.03 0.00 0.31 0.00 0.00 61.69 64.55 2jtr s THR 43 Cb -0.23 -4.22 0.13 0.00 0.01 0.00 0.00 72.50 68.18 2jtr s THR 43 CO 0.29 0.40 0.22 -0.69 -0.69 0.00 0.00 174.62 174.14 2jtr s VAL 44 N -0.76 2.27 -0.89 3.82 1.01 -0.15 -1.77 120.40 123.93 2jtr s VAL 44 Ca 0.44 -2.97 -0.22 0.00 0.00 0.00 0.00 61.98 59.23 2jtr s VAL 44 Cb -0.27 -2.60 0.07 0.00 0.00 0.00 0.00 36.38 33.58 2jtr s VAL 44 CO 0.33 -0.78 1.25 -0.54 0.00 0.00 0.00 175.10 175.36 2jtr s LYS 45 N 0.07 3.45 0.22 2.72 1.02 -0.62 -1.43 119.74 125.18 2jtr s LYS 45 Ca 0.16 -1.13 -0.23 0.00 0.02 0.00 0.00 55.97 54.79 2jtr s LYS 45 Cb -0.24 -4.86 -0.08 0.00 -0.52 0.00 0.00 37.83 32.12 2jtr s LYS 45 CO -0.02 -2.01 0.79 0.14 -0.92 0.00 0.00 175.35 173.34 2jtr s VAL 46 N 4.27 4.41 0.18 3.17 -7.23 -0.16 -1.34 120.40 123.69 2jtr s VAL 46 Ca 0.36 1.56 -0.12 0.00 -1.81 0.00 0.00 61.98 61.97 2jtr s VAL 46 Cb -0.05 -4.00 0.00 0.00 0.56 0.00 0.00 36.38 32.89 2jtr s VAL 46 CO -0.03 0.31 0.37 -0.72 -0.31 0.00 0.00 175.10 174.73 2jtr s TYR 47 N -1.40 0.22 0.00 2.82 1.13 -0.99 -1.29 117.35 117.84 2jtr s TYR 47 Ca 0.42 -0.58 0.00 0.00 -1.41 0.00 0.00 57.07 55.50 2jtr s TYR 47 Cb -0.20 0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.77 2jtr s TYR 47 CO 0.24 -0.80 0.00 0.00 -2.51 0.00 0.00 175.55 172.48 2jtr h ASN 49 N 0.00 -0.29 0.00 0.00 -0.00 -1.94 0.60 115.58 113.95 2jtr h ASN 49 Ca 0.00 0.04 -0.06 0.00 -0.00 0.00 0.00 56.30 56.28 2jtr h ASN 49 Cb 0.00 0.12 -0.13 0.00 -0.00 0.00 0.00 38.32 38.31 2jtr h ASN 49 CO 0.00 -0.15 -0.66 0.00 -0.00 0.00 0.00 177.43 176.63 2jtr n ALA 50 N -2.35 2.16 -0.62 1.57 0.00 -1.26 -2.99 120.51 117.02 2jtr n ALA 50 Ca -0.06 -1.40 0.00 0.00 0.00 0.00 0.00 53.44 51.98 2jtr n ALA 50 Cb 0.15 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 0.17 1.64 0.15 0.00 0.00 -1.26 -4.91 105.19 100.98 2jtr n GLY 51 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 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 2.49 -0.27 -0.17 1.61 2.47 -1.95 0.15 114.38 118.71 2jtr h ARG 52 Ca 0.00 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2jtr h ARG 52 Cb 0.00 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2jtr h ARG 52 CO 0.00 0.10 0.06 1.96 0.56 0.00 0.00 179.97 182.64 2jtr h GLN 53 N -0.71 0.24 -0.10 0.04 7.50 -1.90 -0.29 115.11 119.88 2jtr h GLN 53 Ca -0.03 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.08 2jtr h GLN 53 Cb 0.49 -0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.97 2jtr h GLN 53 CO 0.05 0.21 -0.01 0.77 -1.50 0.00 0.00 178.83 178.35 2jtr h SER 54 N 0.24 0.19 -0.37 1.46 0.02 -1.79 0.92 113.55 114.21 2jtr h SER 54 Ca 0.06 -0.33 -0.07 0.00 -0.84 0.00 0.00 61.79 60.61 2jtr h SER 54 Cb 0.08 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2jtr h SER 54 CO -0.01 0.48 -0.04 1.23 -1.14 0.00 0.00 176.83 177.36 2jtr h GLY 55 N -0.11 0.74 0.57 -3.77 0.00 -0.60 0.12 103.07 100.02 2jtr h GLY 55 Ca 0.03 -0.57 0.06 0.00 0.00 0.00 0.00 47.33 46.85 2jtr h GLY 55 CO 0.01 0.52 0.20 1.46 0.00 0.00 0.00 176.54 178.73 2jtr h GLN 56 N 0.49 0.38 -0.38 4.80 1.08 -1.06 -1.70 115.11 118.72 2jtr h GLN 56 Ca 0.10 -0.02 -0.13 0.00 -1.45 0.00 0.00 58.65 57.15 2jtr h GLN 56 Cb 0.52 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 2jtr h GLN 56 CO 0.03 0.25 -0.29 0.00 -0.95 0.00 0.00 178.83 177.87 2jtr h ALA 57 N 1.32 0.77 -0.93 3.87 0.00 -0.60 -3.11 119.26 120.57 2jtr h ALA 57 Ca 0.24 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jtr h ALA 57 Cb 0.23 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2jtr h ALA 57 CO -0.23 0.65 0.57 -0.22 0.00 0.00 0.00 179.25 180.02 2jtr h LYS 58 N 0.70 1.27 0.19 0.00 3.64 -0.08 -0.94 116.57 121.35 2jtr h LYS 58 Ca 0.08 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2jtr h LYS 58 Cb 0.83 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2jtr h LYS 58 CO 0.07 0.88 -0.17 0.93 -2.27 0.00 0.00 179.45 178.89 2jtr h GLU 59 N 1.29 -0.37 -0.44 1.90 4.39 -1.26 0.28 114.58 120.37 2jtr h GLU 59 Ca 0.34 0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.92 2jtr h GLU 59 Cb -0.06 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2jtr h GLU 59 CO -0.06 -0.24 -0.28 -0.84 -1.16 0.00 0.00 179.01 176.42 2jtr h ILE 60 N -0.38 1.27 -0.16 3.13 3.07 -1.54 -2.55 117.51 120.35 2jtr h ILE 60 Ca -0.00 -1.45 -0.16 0.00 1.55 0.00 0.00 64.86 64.80 2jtr h ILE 60 Cb 0.35 1.23 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 2jtr h ILE 60 CO -0.03 0.49 -0.58 -0.07 -1.05 0.00 0.00 178.15 176.91 2jtr h LEU 61 N 0.81 0.58 -0.65 0.16 3.38 -0.99 0.89 115.31 119.49 2jtr h LEU 61 Ca 0.09 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.69 2jtr h LEU 61 Cb 0.86 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.42 2jtr h LEU 61 CO 0.08 1.03 0.21 0.28 0.09 0.00 0.00 178.44 180.13 2jtr h SER 62 N 0.39 0.94 -0.52 -0.43 0.02 -0.93 -0.59 113.55 112.42 2jtr h SER 62 Ca 0.00 -0.20 -0.10 0.00 -0.84 0.00 0.00 61.79 60.65 2jtr h SER 62 Cb 1.12 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 2jtr h SER 62 CO 0.11 0.89 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.55 2jtr h GLU 63 N 0.93 0.99 0.00 3.45 4.81 -1.04 -2.16 114.58 121.57 2jtr h GLU 63 Ca 0.21 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2jtr h GLU 63 Cb 0.28 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.58 2jtr h GLU 63 CO -0.01 1.01 0.00 0.52 -0.73 0.00 0.00 179.01 179.80 2jtr h MET 64 N 0.90 0.00 0.00 1.92 2.86 -0.61 -3.46 114.93 116.53 2jtr h MET 64 Ca 0.15 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 2jtr h MET 64 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2jtr h MET 64 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 2jtr n GLY 65 N -0.42 1.17 3.55 8.32 0.00 -0.64 -5.05 105.19 112.13 2jtr n GLY 65 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 1.81 -2.00 1.61 2.02 -0.32 -4.85 117.35 113.62 2jtr s TYR 66 Ca 0.00 0.57 0.11 0.00 -0.37 0.00 0.00 57.07 57.38 2jtr s TYR 66 Cb 0.00 -4.18 0.67 0.00 -0.40 0.00 0.00 41.96 38.04 2jtr s TYR 66 CO 0.00 -2.16 1.39 0.25 -1.57 0.00 0.00 175.55 173.46 2jtr n THR 67 N 7.19 0.00 -2.38 -0.71 -2.24 -1.25 -3.86 114.28 111.03 2jtr n THR 67 Ca 0.22 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 62.03 2jtr n THR 67 Cb 0.51 -0.21 0.05 0.00 -2.10 0.00 0.00 70.33 68.58 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 -0.68 0.18 -2.81 4.78 8.25 -1.26 -5.05 115.22 118.63 2jtr n HIS 68 Ca 0.08 -0.86 -0.39 0.00 -0.26 0.00 0.00 57.72 56.29 2jtr n HIS 68 Cb 0.04 -0.18 -0.06 0.00 1.12 0.00 0.00 29.99 30.91 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 -1.00 4.16 -0.06 1.59 1.01 -1.25 -0.98 120.40 123.87 2jtr s VAL 69 Ca 0.34 1.95 -0.11 0.00 0.00 0.00 0.00 61.98 64.16 2jtr s VAL 69 Cb 0.38 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.56 2jtr s VAL 69 CO -0.14 0.43 0.28 -0.70 0.00 0.00 0.00 175.10 174.97 2jtr s GLU 70 N -1.36 0.48 -0.36 2.72 2.56 -0.51 -4.92 118.70 117.31 2jtr s GLU 70 Ca 0.42 0.08 -0.25 0.00 0.00 0.00 0.00 54.97 55.22 2jtr s GLU 70 Cb -0.24 0.22 0.01 0.00 2.00 0.00 0.00 34.13 36.12 2jtr s GLU 70 CO 0.29 -0.10 0.87 1.21 -0.56 0.00 0.00 175.26 176.97 2jtr s ASN 71 N -0.60 6.64 0.33 -1.70 3.04 -1.26 -0.99 114.94 120.40 2jtr s ASN 71 Ca -0.07 0.51 0.05 0.00 0.04 0.00 0.00 52.86 53.40 2jtr s ASN 71 Cb -0.04 -2.44 0.60 0.00 -1.54 0.00 0.00 41.25 37.83 2jtr s ASN 71 CO 0.02 -0.80 1.84 0.00 -3.04 0.00 0.00 177.10 175.13 2jtr h ALA 72 N 8.44 1.33 0.00 1.71 0.00 -1.49 -3.48 119.26 125.77 2jtr h ALA 72 Ca -0.24 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jtr h ALA 72 Cb 1.08 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2jtr h ALA 72 CO 0.95 0.45 0.00 0.41 0.00 0.00 0.00 179.25 181.06 2jtr n GLY 73 N -0.73 0.15 3.94 0.00 0.00 -1.26 -4.84 105.19 102.45 2jtr n GLY 73 Ca 0.00 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.46 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 1.32 0.19 -0.02 0.00 -1.26 -3.99 107.32 103.56 2jtr s GLY 74 Ca 0.00 -1.31 -0.23 0.00 0.00 0.00 0.00 44.72 43.17 2jtr s GLY 74 CO 0.00 -1.32 1.56 -2.00 0.00 0.00 0.00 173.10 171.34 2jtr h LEU 75 N 1.20 -1.53 0.00 0.66 5.85 -0.77 -1.14 115.31 119.58 2jtr h LEU 75 Ca -0.50 0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.49 2jtr h LEU 75 Cb 1.24 0.73 0.00 0.00 0.37 0.00 0.00 40.66 42.99 2jtr h LEU 75 CO 0.60 -0.30 -0.72 0.11 -0.34 0.00 0.00 178.44 177.78 2jtr h LYS 76 N -0.12 0.00 -0.08 1.25 1.57 -1.88 -3.31 116.57 114.00 2jtr h LYS 76 Ca 0.23 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.83 2jtr h LYS 76 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 2jtr h LYS 76 CO -0.81 0.00 -0.71 0.22 -0.57 0.00 0.00 179.45 177.58 2jtr h ASP 77 N 0.00 0.45 -2.58 0.86 3.58 -1.61 -3.44 116.42 113.67 2jtr h ASP 77 Ca 0.00 -0.29 -0.52 0.00 0.42 0.00 0.00 57.03 56.64 2jtr h ASP 77 Cb 0.82 -0.13 0.04 0.00 1.72 0.00 0.00 39.33 41.78 2jtr h ASP 77 CO 0.00 1.02 1.07 -0.63 -2.88 0.00 0.00 179.24 177.82 2jtr s ILE 78 N -3.63 2.45 -0.92 2.25 1.01 -0.77 -4.88 121.20 116.71 2jtr s ILE 78 Ca -0.05 0.08 -0.06 0.00 0.00 0.00 0.00 60.65 60.62 2jtr s ILE 78 Cb 0.11 -3.05 -0.03 0.00 0.01 0.00 0.00 42.46 39.50 2jtr s ILE 78 CO 0.83 0.00 2.88 0.00 0.00 0.00 0.00 174.94 178.65 2jtr n ALA 79 N 5.22 6.83 -2.16 9.38 0.00 -1.26 -4.85 120.51 133.66 2jtr n ALA 79 Ca 0.17 -3.24 -0.10 0.00 0.00 0.00 0.00 53.44 50.27 2jtr n ALA 79 Cb 0.38 -2.68 -0.10 0.00 0.00 0.00 0.00 19.45 17.05 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 -0.03 0.83 0.90 0.00 -1.94 -1.26 -5.16 119.30 112.63 2jtr s MET 80 Ca 0.62 -1.34 -0.11 0.00 -1.71 0.00 0.00 55.69 53.15 2jtr s MET 80 Cb 0.26 -0.13 0.13 0.00 2.01 0.00 0.00 34.83 37.10 2jtr s MET 80 CO -0.10 -0.05 1.10 -1.25 -0.01 0.00 0.00 175.02 174.71 2jtr s PRO 81 N -3.86 1.23 0.12 2.03 0.04 -1.26 -4.91 135.00 128.38 2jtr s PRO 81 Ca 0.13 1.06 0.04 0.00 0.04 0.00 0.00 61.00 62.27 2jtr s PRO 81 Cb 0.06 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 2jtr s PRO 81 CO -0.04 -2.33 -0.11 0.15 0.04 0.00 0.00 177.00 174.71 2jtr s LYS 82 N -4.82 0.94 0.07 4.56 3.01 -1.26 -1.20 119.74 121.04 2jtr s LYS 82 Ca 0.64 -1.26 -0.03 0.00 -1.01 0.00 0.00 55.97 54.31 2jtr s LYS 82 Cb -0.19 -0.63 -0.03 0.00 -1.01 0.00 0.00 37.83 35.97 2jtr s LYS 82 CO 0.58 0.10 0.04 0.14 0.51 0.00 0.00 175.35 176.72 2jtr s VAL 83 N -2.64 0.19 0.17 3.17 -7.23 0.09 -4.79 120.40 109.37 2jtr s VAL 83 Ca 0.09 -1.63 -0.00 0.00 -1.81 0.00 0.00 61.98 58.64 2jtr s VAL 83 Cb -0.02 -1.49 -0.04 0.00 0.56 0.00 0.00 36.38 35.39 2jtr s VAL 83 CO 0.01 -0.87 0.07 -1.59 -0.31 0.00 0.00 175.10 172.41 2jtr s LYS 84 N -3.91 1.10 0.00 4.82 -2.85 -1.26 -0.63 119.74 117.01 2jtr s LYS 84 Ca 0.07 -1.55 0.00 0.00 -1.00 0.00 0.00 55.97 53.49 2jtr s LYS 84 Cb 0.07 0.07 0.00 0.00 -2.06 0.00 0.00 37.83 35.91 2jtr s LYS 84 CO -0.10 -0.27 0.00 0.41 0.10 0.00 0.00 175.35 175.50