#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 0.57 0.10 0.00 2.12 -1.26 -1.53 118.70 118.70 2jtr s GLU 2 Ca 0.00 -0.24 0.03 0.00 0.36 0.00 0.00 54.97 55.12 2jtr s GLU 2 Cb 0.00 0.25 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 2jtr s GLU 2 CO 0.00 -0.15 -0.08 -1.01 -0.54 0.00 0.00 175.26 173.48 2jtr s HIS 3 N -1.26 0.97 -0.19 5.30 3.76 -0.51 -4.93 115.29 118.44 2jtr s HIS 3 Ca -0.13 -0.75 0.00 0.00 -0.15 0.00 0.00 55.06 54.03 2jtr s HIS 3 Cb -0.06 -0.54 0.02 0.00 1.11 0.00 0.00 32.58 33.11 2jtr s HIS 3 CO 0.03 -0.06 -0.18 -1.58 -0.85 0.00 0.00 174.74 172.10 2jtr s TRP 4 N -2.90 2.80 -0.21 1.40 0.52 -1.26 -1.27 118.94 118.03 2jtr s TRP 4 Ca 0.07 -1.56 -0.01 0.00 0.02 0.00 0.00 56.10 54.62 2jtr s TRP 4 Cb 0.00 -1.94 0.06 0.00 -1.15 0.00 0.00 33.47 30.44 2jtr s TRP 4 CO -0.02 -0.78 0.01 0.42 0.02 0.00 0.00 176.95 176.60 2jtr s ILE 5 N 1.31 0.89 0.44 2.03 1.01 -0.56 -1.92 121.20 124.41 2jtr s ILE 5 Ca 0.05 -0.83 -0.24 0.00 0.00 0.00 0.00 60.65 59.63 2jtr s ILE 5 Cb -0.13 -1.33 -0.08 0.00 0.01 0.00 0.00 42.46 40.93 2jtr s ILE 5 CO -0.12 -0.19 1.25 -0.62 0.00 0.00 0.00 174.94 175.26 2jtr s ASP 6 N 1.68 6.14 -0.01 3.58 -1.08 0.18 -3.32 116.67 123.84 2jtr s ASP 6 Ca -0.02 2.53 0.02 0.00 -0.52 0.00 0.00 52.55 54.56 2jtr s ASP 6 Cb -0.18 -2.62 0.03 0.00 -1.46 0.00 0.00 42.92 38.69 2jtr s ASP 6 CO -0.08 -0.95 0.90 1.33 0.52 0.00 0.00 175.17 176.88 2jtr n VAL 7 N -0.22 0.81 -1.14 1.11 0.24 -0.06 -0.92 118.33 118.14 2jtr n VAL 7 Ca 0.06 -0.85 -0.30 0.00 -2.04 0.00 0.00 64.34 61.20 2jtr n VAL 7 Cb 0.45 0.54 0.14 0.00 -1.47 0.00 0.00 33.84 33.50 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 1.34 0.56 7.34 1.70 -1.26 -1.22 118.95 126.49 2jtr s ARG 8 Ca 0.04 0.95 -0.20 0.00 -0.47 0.00 0.00 55.73 56.04 2jtr s ARG 8 Cb 0.03 -1.81 -0.05 0.00 -0.57 0.00 0.00 34.95 32.55 2jtr s ARG 8 CO 0.00 -2.22 1.12 1.33 -1.08 0.00 0.00 175.30 174.45 2jtr n VAL 9 N -3.89 3.64 -0.31 4.99 0.24 -1.26 -4.06 118.33 117.68 2jtr n VAL 9 Ca 0.08 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.34 61.85 2jtr n VAL 9 Cb 0.54 -1.34 0.12 0.00 -1.47 0.00 0.00 33.84 31.69 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 0.95 1.21 0.00 7.34 0.13 -1.97 -0.09 132.00 139.57 2jtr h PRO 10 Ca -0.49 -0.13 -0.05 0.00 -0.87 0.00 0.00 66.00 64.46 2jtr h PRO 10 Cb 1.34 -0.24 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2jtr h PRO 10 CO 0.54 0.87 -0.25 0.93 -0.23 0.00 0.00 178.00 179.85 2jtr h GLU 11 N 1.22 0.00 0.11 0.86 5.08 -2.01 -1.65 114.58 118.20 2jtr h GLU 11 Ca 0.31 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.39 2jtr h GLU 11 Cb -0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2jtr h GLU 11 CO -0.05 0.25 -1.33 1.96 -1.00 0.00 0.00 179.01 178.84 2jtr h GLN 12 N 0.00 0.23 -0.51 2.33 1.08 -1.51 -3.31 115.11 113.42 2jtr h GLN 12 Ca -0.00 -0.40 0.03 0.00 -1.45 0.00 0.00 58.65 56.82 2jtr h GLN 12 Cb 0.62 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 28.16 2jtr h GLN 12 CO 0.03 1.15 0.30 -0.92 -0.95 0.00 0.00 178.83 178.44 2jtr h TYR 13 N 0.06 0.56 -0.71 2.96 3.20 -0.51 -2.74 116.97 119.79 2jtr h TYR 13 Ca -0.16 0.02 0.21 0.00 3.14 0.00 0.00 58.73 61.93 2jtr h TYR 13 Cb 1.97 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 40.03 2jtr h TYR 13 CO 0.06 0.32 0.55 1.96 -1.64 0.00 0.00 178.16 179.41 2jtr h GLN 14 N 0.60 0.00 0.00 1.82 1.08 -1.40 -2.42 115.11 114.78 2jtr h GLN 14 Ca 0.21 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.38 2jtr h GLN 14 Cb 0.04 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2jtr h GLN 14 CO -0.10 0.00 -0.13 1.96 -0.95 0.00 0.00 178.83 179.60 2jtr h GLN 15 N 0.00 0.00 0.00 1.46 1.08 -1.63 -1.84 115.11 114.18 2jtr h GLN 15 Ca 0.34 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.54 2jtr h GLN 15 Cb 1.44 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.87 2jtr h GLN 15 CO -0.00 0.13 0.00 -0.85 -0.95 0.00 0.00 178.83 177.16 2jtr n GLU 16 N -3.43 0.00 -3.98 1.46 0.28 -0.91 -4.81 120.64 109.25 2jtr n GLU 16 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.90 2jtr n GLU 16 Cb 0.31 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.13 2jtr n GLU 16 CO 0.00 0.00 0.00 -3.38 -0.16 0.00 0.00 177.13 173.59 2jtr s HIS 17 N -1.73 0.34 0.32 -1.84 -3.43 -0.19 -4.87 115.29 103.90 2jtr s HIS 17 Ca 0.00 -0.70 -0.29 0.00 -0.80 0.00 0.00 55.06 53.26 2jtr s HIS 17 Cb 0.00 0.18 -0.12 0.00 -1.43 0.00 0.00 32.58 31.22 2jtr s HIS 17 CO 0.00 -0.97 1.53 0.28 -2.00 0.00 0.00 174.74 173.58 2jtr n VAL 18 N -0.37 1.40 -1.67 -5.38 0.31 -1.26 -0.62 118.33 110.74 2jtr n VAL 18 Ca -0.02 -0.35 -0.47 0.00 -0.01 0.00 0.00 64.34 63.49 2jtr n VAL 18 Cb 0.62 -1.91 -0.04 0.00 -0.91 0.00 0.00 33.84 31.59 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 1.47 2.18 -0.69 5.55 7.27 -0.28 -2.05 117.38 130.84 2jtr n GLN 19 Ca 0.06 0.79 0.00 0.00 0.07 0.00 0.00 57.00 57.92 2jtr n GLN 19 Cb 0.37 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.43 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 3.82 1.07 1.44 1.69 0.00 -1.26 -5.00 105.19 106.95 2jtr n GLY 20 Ca 0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 2jtr n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtr n ALA 21 N 0.26 -0.76 -2.45 4.61 0.00 -0.87 -4.91 120.51 116.40 2jtr n ALA 21 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 53.44 52.55 2jtr n ALA 21 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 2jtr n ALA 21 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2jtr s ILE 22 N -2.02 0.41 -0.02 0.00 2.07 -0.81 -5.03 121.20 115.80 2jtr s ILE 22 Ca 0.28 -2.00 0.02 0.00 -1.41 0.00 0.00 60.65 57.54 2jtr s ILE 22 Cb -0.01 -2.37 0.00 0.00 0.13 0.00 0.00 42.46 40.21 2jtr s ILE 22 CO 0.20 0.00 -0.07 0.21 -1.91 0.00 0.00 174.94 173.37 2jtr s ASN 23 N -3.54 0.94 -0.33 4.50 3.84 -1.26 -0.65 114.94 118.44 2jtr s ASN 23 Ca 0.28 -0.14 -0.02 0.00 0.21 0.00 0.00 52.86 53.19 2jtr s ASN 23 Cb 0.02 -0.23 0.12 0.00 -0.55 0.00 0.00 41.25 40.60 2jtr s ASN 23 CO 0.18 0.05 0.16 -0.63 -2.79 0.00 0.00 177.10 174.07 2jtr s ILE 24 N 0.18 0.32 0.68 -5.21 1.01 -0.10 -4.92 121.20 113.16 2jtr s ILE 24 Ca -0.02 -1.35 -0.17 0.00 0.00 0.00 0.00 60.65 59.11 2jtr s ILE 24 Cb -0.07 -1.25 -0.04 0.00 0.01 0.00 0.00 42.46 41.11 2jtr s ILE 24 CO 0.00 -0.81 0.68 -2.65 0.00 0.00 0.00 174.94 172.15 2jtr n PRO 25 N 4.64 0.46 -0.34 2.79 -0.02 -1.26 -4.21 135.00 137.07 2jtr n PRO 25 Ca 0.02 0.20 0.18 0.00 -2.02 0.00 0.00 63.50 61.87 2jtr n PRO 25 Cb 0.40 -1.93 0.39 0.00 -0.02 0.00 0.00 33.50 32.33 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 -0.11 0.62 -1.32 2.45 5.85 -1.39 0.31 115.31 121.72 2jtr h LEU 26 Ca -0.46 0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.37 2jtr h LEU 26 Cb 1.36 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 2jtr h LEU 26 CO 0.45 0.07 0.13 0.11 -0.34 0.00 0.00 178.44 178.87 2jtr h LYS 27 N 0.54 0.60 0.00 1.25 1.57 -1.89 -3.08 116.57 115.56 2jtr h LYS 27 Ca 0.64 -0.09 -0.16 0.00 -1.87 0.00 0.00 60.65 59.18 2jtr h LYS 27 Cb 1.25 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 2jtr h LYS 27 CO -0.49 0.52 -1.24 0.93 -0.57 0.00 0.00 179.45 178.60 2jtr h GLU 28 N 0.59 0.00 -0.75 3.15 4.39 -0.79 -3.38 114.58 117.80 2jtr h GLU 28 Ca 0.14 0.00 0.17 0.00 0.34 0.00 0.00 59.36 60.01 2jtr h GLU 28 Cb 0.17 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 28.69 2jtr h GLU 28 CO -0.01 0.34 0.01 0.28 -1.16 0.00 0.00 179.01 178.47 2jtr h VAL 29 N 0.00 0.35 -0.02 3.13 2.07 -0.98 -0.27 116.25 120.53 2jtr h VAL 29 Ca -0.13 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.36 2jtr h VAL 29 Cb 1.55 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2jtr h VAL 29 CO 0.05 0.02 0.17 0.11 0.02 0.00 0.00 177.57 177.94 2jtr h LYS 30 N 0.11 0.00 0.00 1.57 1.57 -1.74 -1.71 116.57 116.37 2jtr h LYS 30 Ca 0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.19 2jtr h LYS 30 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2jtr h LYS 30 CO -0.65 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 178.62 2jtr n GLU 31 N -3.07 0.34 0.00 3.15 1.02 -0.25 -4.87 120.64 116.95 2jtr n GLU 31 Ca -0.02 -0.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.88 2jtr n GLU 31 Cb 0.24 -0.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 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 -0.12 4.54 -0.04 3.49 0.63 -0.40 -4.86 116.66 119.90 2jtr n ARG 32 Ca 0.00 0.00 0.01 0.00 -0.92 0.00 0.00 57.85 56.94 2jtr n ARG 32 Cb 0.08 -0.61 0.34 0.00 0.45 0.00 0.00 32.46 32.72 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 1.16 -0.01 5.15 6.09 -1.50 -1.85 117.51 126.55 2jtr h ILE 33 Ca 0.00 -0.48 0.00 0.00 -1.37 0.00 0.00 64.86 63.01 2jtr h ILE 33 Cb 0.01 0.62 -0.00 0.00 0.47 0.00 0.00 36.82 37.92 2jtr h ILE 33 CO 0.00 0.19 0.01 0.00 -3.07 0.00 0.00 178.15 175.28 2jtr h ALA 34 N 1.60 1.90 -0.30 0.18 0.00 -1.82 0.25 119.26 121.06 2jtr h ALA 34 Ca 0.15 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2jtr h ALA 34 Cb 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2jtr h ALA 34 CO -0.02 -0.01 -0.19 1.15 0.00 0.00 0.00 179.25 180.18 2jtr h THR 35 N 0.00 1.26 0.00 0.00 2.02 -1.69 -2.94 112.91 111.56 2jtr h THR 35 Ca 0.00 -1.19 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 2jtr h THR 35 Cb 0.02 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2jtr h THR 35 CO -0.00 0.39 -1.22 0.00 0.37 0.00 0.00 175.52 175.06 2jtr n ALA 36 N -2.49 2.46 -3.50 6.16 0.00 -0.59 -4.58 120.51 117.98 2jtr n ALA 36 Ca 0.00 -0.33 -0.27 0.00 0.00 0.00 0.00 53.44 52.85 2jtr n ALA 36 Cb 0.38 -1.02 -0.09 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.65 0.84 0.74 0.00 0.31 -0.03 -4.97 118.33 112.57 2jtr n VAL 37 Ca -0.02 -4.53 0.09 0.00 -0.01 0.00 0.00 64.34 59.87 2jtr n VAL 37 Cb 0.60 -2.01 0.42 0.00 -0.91 0.00 0.00 33.84 31.95 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 1.64 0.13 -3.75 5.55 -0.04 -1.12 -4.48 135.00 132.93 2jtr n PRO 38 Ca 0.25 0.15 -0.20 0.00 -0.04 0.00 0.00 63.50 63.67 2jtr n PRO 38 Cb 0.43 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.80 1.01 0.59 3.54 -1.08 -1.26 -5.04 116.67 111.62 2jtr s ASP 39 Ca 0.13 0.02 0.38 0.00 -0.52 0.00 0.00 52.55 52.56 2jtr s ASP 39 Cb 0.12 -0.22 2.07 0.00 -1.46 0.00 0.00 42.92 43.43 2jtr s ASP 39 CO 0.31 -0.20 2.16 0.07 0.52 0.00 0.00 175.17 178.03 2jtr h LYS 40 N 8.09 0.00 0.00 4.34 2.10 -1.95 -1.27 116.57 127.88 2jtr h LYS 40 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2jtr h LYS 40 Cb 1.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.45 2jtr h LYS 40 CO 0.27 0.00 0.00 -0.97 -2.00 0.00 0.00 179.45 176.75 2jtr h ASN 41 N 0.00 0.00 -3.99 7.07 -0.00 -1.96 -3.33 115.58 113.37 2jtr h ASN 41 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 56.30 55.78 2jtr h ASN 41 Cb 0.07 0.00 0.08 0.00 -0.00 0.00 0.00 38.32 38.46 2jtr h ASN 41 CO 0.00 0.00 0.52 -0.62 -0.00 0.00 0.00 177.43 177.33 2jtr s ASP 42 N -5.71 6.10 0.21 1.15 2.15 -0.48 -4.84 116.67 115.25 2jtr s ASP 42 Ca 0.06 2.43 -0.29 0.00 0.43 0.00 0.00 52.55 55.18 2jtr s ASP 42 Cb 0.07 -2.61 -0.08 0.00 -0.30 0.00 0.00 42.92 40.00 2jtr s ASP 42 CO 0.61 -0.98 0.92 -0.89 -0.17 0.00 0.00 175.17 174.67 2jtr s THR 43 N -1.45 4.18 -0.41 1.71 2.01 -0.58 -4.68 115.64 116.42 2jtr s THR 43 Ca 0.63 2.04 0.02 0.00 0.31 0.00 0.00 61.69 64.69 2jtr s THR 43 Cb -0.32 -4.31 0.12 0.00 0.01 0.00 0.00 72.50 68.01 2jtr s THR 43 CO 0.39 0.47 0.19 -0.69 -0.69 0.00 0.00 174.62 174.29 2jtr s VAL 44 N -0.96 1.53 -0.04 3.82 1.01 -0.14 -1.42 120.40 124.20 2jtr s VAL 44 Ca 0.41 -2.38 -0.30 0.00 0.00 0.00 0.00 61.98 59.71 2jtr s VAL 44 Cb -0.25 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2jtr s VAL 44 CO 0.31 -0.81 1.30 -0.54 0.00 0.00 0.00 175.10 175.36 2jtr s LYS 45 N 0.60 4.31 0.03 2.72 -0.14 -0.39 -1.31 119.74 125.56 2jtr s LYS 45 Ca 0.15 1.80 0.07 0.00 -1.36 0.00 0.00 55.97 56.63 2jtr s LYS 45 Cb -0.23 -3.58 -0.02 0.00 -1.68 0.00 0.00 37.83 32.32 2jtr s LYS 45 CO -0.06 -0.52 -0.20 0.14 -0.76 0.00 0.00 175.35 173.94 2jtr s VAL 46 N 2.40 1.62 0.14 3.17 -7.23 -0.35 -1.49 120.40 118.67 2jtr s VAL 46 Ca 0.59 -1.11 -0.16 0.00 -1.81 0.00 0.00 61.98 59.50 2jtr s VAL 46 Cb -0.27 -1.40 0.03 0.00 0.56 0.00 0.00 36.38 35.30 2jtr s VAL 46 CO 0.23 0.26 0.42 -0.72 -0.31 0.00 0.00 175.10 174.99 2jtr s TYR 47 N -0.72 -0.16 0.29 2.82 1.13 -1.21 -0.80 117.35 118.70 2jtr s TYR 47 Ca 0.07 -0.16 -0.18 0.00 -1.41 0.00 0.00 57.07 55.39 2jtr s TYR 47 Cb -0.08 0.28 0.07 0.00 -1.10 0.00 0.00 41.96 41.12 2jtr s TYR 47 CO 0.01 -0.75 0.92 0.00 -2.51 0.00 0.00 175.55 173.22 2jtr s ASN 49 N -3.27 6.60 -0.93 0.00 3.84 -1.26 -3.44 114.94 116.48 2jtr s ASN 49 Ca 0.19 2.73 0.00 0.00 0.21 0.00 0.00 52.86 55.99 2jtr s ASN 49 Cb -0.04 -2.63 0.00 0.00 -0.55 0.00 0.00 41.25 38.03 2jtr s ASN 49 CO 0.09 -0.73 0.00 0.00 -2.79 0.00 0.00 177.10 173.67 2jtr n ALA 50 N 2.12 -0.13 0.00 1.71 0.00 -1.26 -4.04 120.51 118.91 2jtr n ALA 50 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2jtr n ALA 50 Cb 0.40 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.48 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 0.15 1.61 0.23 0.00 0.00 -1.23 -4.82 105.19 101.13 2jtr n GLY 51 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 0.42 -0.24 0.00 1.61 3.08 -1.91 -0.88 114.38 116.46 2jtr h ARG 52 Ca 0.00 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2jtr h ARG 52 Cb 0.00 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2jtr h ARG 52 CO 0.00 -0.16 -0.06 1.96 -1.07 0.00 0.00 179.97 180.64 2jtr h GLN 53 N -0.25 0.00 0.02 0.04 7.50 -1.88 0.43 115.11 120.97 2jtr h GLN 53 Ca 0.10 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.11 2jtr h GLN 53 Cb 0.39 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.93 2jtr h GLN 53 CO -0.27 0.06 -0.56 0.77 -1.50 0.00 0.00 178.83 177.33 2jtr h SER 54 N 0.00 0.46 -0.43 1.46 0.02 -1.51 0.40 113.55 113.96 2jtr h SER 54 Ca -0.00 -0.79 -0.03 0.00 -0.84 0.00 0.00 61.79 60.13 2jtr h SER 54 Cb 0.15 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 2jtr h SER 54 CO 0.01 1.20 0.16 1.23 -1.14 0.00 0.00 176.83 178.28 2jtr h GLY 55 N -0.22 0.70 1.48 -3.77 0.00 -0.83 0.56 103.07 100.99 2jtr h GLY 55 Ca -0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.82 2jtr h GLY 55 CO 0.11 0.37 0.07 1.46 0.00 0.00 0.00 176.54 178.54 2jtr h GLN 56 N 0.55 0.65 -0.24 4.80 4.20 -0.99 -1.69 115.11 122.38 2jtr h GLN 56 Ca 0.14 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.58 2jtr h GLN 56 Cb 0.22 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2jtr h GLN 56 CO -0.01 0.63 -0.38 0.00 -0.67 0.00 0.00 178.83 178.40 2jtr h ALA 57 N 1.45 0.38 -0.95 3.87 0.00 -0.63 -3.13 119.26 120.25 2jtr h ALA 57 Ca 0.14 -0.44 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2jtr h ALA 57 Cb 0.30 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2jtr h ALA 57 CO 0.00 0.46 0.63 -0.22 0.00 0.00 0.00 179.25 180.12 2jtr h LYS 58 N 0.41 1.24 -0.30 0.00 3.64 -0.39 -0.67 116.57 120.50 2jtr h LYS 58 Ca 0.02 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.25 2jtr h LYS 58 Cb 0.97 -0.28 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 2jtr h LYS 58 CO 0.09 0.82 -0.12 1.05 -2.27 0.00 0.00 179.45 179.02 2jtr h GLU 59 N 1.28 0.61 -0.34 1.90 4.11 -1.37 -0.05 114.58 120.72 2jtr h GLU 59 Ca 0.35 -0.25 -0.10 0.00 0.07 0.00 0.00 59.36 59.42 2jtr h GLU 59 Cb -0.15 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2jtr h GLU 59 CO -0.08 0.82 -0.21 -0.84 0.07 0.00 0.00 179.01 178.78 2jtr h ILE 60 N 0.37 1.27 -0.34 -1.06 3.07 -1.45 -2.07 117.51 117.29 2jtr h ILE 60 Ca 0.07 -1.27 -0.11 0.00 1.55 0.00 0.00 64.86 65.10 2jtr h ILE 60 Cb 0.63 1.23 -0.01 0.00 -0.27 0.00 0.00 36.82 38.39 2jtr h ILE 60 CO 0.04 0.42 -0.25 -0.07 -1.05 0.00 0.00 178.15 177.23 2jtr h LEU 61 N 0.57 0.69 -0.93 0.16 3.38 -0.97 0.86 115.31 119.07 2jtr h LEU 61 Ca 0.09 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2jtr h LEU 61 Cb 0.67 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2jtr h LEU 61 CO 0.05 0.92 0.27 0.28 0.09 0.00 0.00 178.44 180.05 2jtr h SER 62 N 0.59 0.96 -0.39 -0.43 0.02 -0.76 -0.02 113.55 113.53 2jtr h SER 62 Ca 0.08 -0.15 -0.13 0.00 -0.84 0.00 0.00 61.79 60.75 2jtr h SER 62 Cb 0.74 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2jtr h SER 62 CO 0.06 0.87 -0.27 -0.08 -1.14 0.00 0.00 176.83 176.26 2jtr h GLU 63 N 1.02 0.87 -0.06 3.45 4.57 -0.81 -3.06 114.58 120.57 2jtr h GLU 63 Ca 0.23 -0.42 -0.05 0.00 -1.18 0.00 0.00 59.36 57.94 2jtr h GLU 63 Cb 0.22 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2jtr h GLU 63 CO -0.02 1.06 -0.22 0.52 -1.18 0.00 0.00 179.01 179.18 2jtr h MET 64 N 0.69 0.09 0.00 1.92 2.86 -0.53 -3.47 114.93 116.49 2jtr h MET 64 Ca 0.08 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2jtr h MET 64 Cb 0.85 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.50 2jtr h MET 64 CO 0.07 0.31 0.00 0.41 1.06 0.00 0.00 176.91 178.76 2jtr n GLY 65 N -0.81 0.20 3.77 8.32 0.00 -0.17 -5.08 105.19 111.42 2jtr n GLY 65 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.16 3.04 0.00 1.61 1.51 -0.31 -4.97 117.35 117.06 2jtr s TYR 66 Ca 0.00 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.63 2jtr s TYR 66 Cb 0.00 -3.30 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 2jtr s TYR 66 CO 0.00 -1.19 0.58 0.25 -1.11 0.00 0.00 175.55 174.08 2jtr n THR 67 N -0.23 0.30 -2.39 -0.71 -2.24 -1.25 -4.02 114.28 103.72 2jtr n THR 67 Ca 0.06 -0.34 0.04 0.00 -2.27 0.00 0.00 64.05 61.53 2jtr n THR 67 Cb 0.48 0.99 0.05 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.15 0.10 -3.17 4.78 8.25 -1.26 -5.06 115.22 118.72 2jtr n HIS 68 Ca 0.00 -0.75 -0.39 0.00 -0.26 0.00 0.00 57.72 56.32 2jtr n HIS 68 Cb 0.35 -0.17 -0.06 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 -0.71 4.80 -0.08 1.59 1.01 -1.26 -0.97 120.40 124.78 2jtr s VAL 69 Ca 0.34 1.34 -0.04 0.00 0.00 0.00 0.00 61.98 63.62 2jtr s VAL 69 Cb 0.38 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.83 2jtr s VAL 69 CO -0.15 0.45 0.19 -0.70 0.00 0.00 0.00 175.10 174.89 2jtr s GLU 70 N -0.43 0.16 -0.35 2.72 2.12 -0.43 -4.94 118.70 117.54 2jtr s GLU 70 Ca 0.32 0.41 -0.29 0.00 0.36 0.00 0.00 54.97 55.77 2jtr s GLU 70 Cb -0.19 -0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.09 2jtr s GLU 70 CO 0.19 -0.14 1.41 1.21 -0.54 0.00 0.00 175.26 177.40 2jtr s ASN 71 N 1.01 6.43 0.35 -1.70 3.04 -1.26 -1.21 114.94 121.60 2jtr s ASN 71 Ca -0.08 1.06 0.11 0.00 0.04 0.00 0.00 52.86 54.00 2jtr s ASN 71 Cb -0.09 -2.54 0.64 0.00 -1.54 0.00 0.00 41.25 37.72 2jtr s ASN 71 CO -0.06 -1.31 1.79 0.00 -3.04 0.00 0.00 177.10 174.48 2jtr h ALA 72 N 10.33 1.30 0.00 1.71 0.00 -1.32 -3.47 119.26 127.81 2jtr h ALA 72 Ca -0.28 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2jtr h ALA 72 Cb 1.11 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jtr h ALA 72 CO 1.06 0.51 0.00 0.41 0.00 0.00 0.00 179.25 181.22 2jtr n GLY 73 N -0.39 0.28 3.32 0.00 0.00 -1.26 -4.88 105.19 102.27 2jtr n GLY 73 Ca -0.02 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 1.19 0.28 -0.02 0.00 -1.26 -3.78 107.32 103.74 2jtr s GLY 74 Ca 0.00 -1.47 0.01 0.00 0.00 0.00 0.00 44.72 43.26 2jtr s GLY 74 CO 0.00 -1.18 1.79 -2.00 0.00 0.00 0.00 173.10 171.72 2jtr h LEU 75 N 2.50 0.73 -0.00 0.66 5.85 -1.92 -0.42 115.31 122.71 2jtr h LEU 75 Ca -0.33 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2jtr h LEU 75 Cb 1.25 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2jtr h LEU 75 CO 0.48 0.33 -0.01 2.29 -0.34 0.00 0.00 178.44 181.19 2jtr n LYS 76 N -4.76 0.10 -0.02 1.25 2.85 -1.26 -4.16 118.16 112.16 2jtr n LYS 76 Ca 0.19 -0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.43 2jtr n LYS 76 Cb 0.43 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.29 2jtr n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jtr n ASP 77 N -1.45 4.03 -4.69 -5.58 2.03 -0.30 -4.96 116.55 105.64 2jtr n ASP 77 Ca 0.09 -0.01 -0.42 0.00 0.52 0.00 0.00 54.79 54.97 2jtr n ASP 77 Cb 0.32 0.40 -0.03 0.00 -0.72 0.00 0.00 41.12 41.09 2jtr n ASP 77 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jtr s ILE 78 N -2.08 3.13 -0.95 5.18 1.01 -0.43 -4.91 121.20 122.16 2jtr s ILE 78 Ca -0.03 0.57 0.28 0.00 0.00 0.00 0.00 60.65 61.48 2jtr s ILE 78 Cb 0.01 -3.37 0.22 0.00 0.01 0.00 0.00 42.46 39.34 2jtr s ILE 78 CO 0.13 -0.00 1.85 0.00 0.00 0.00 0.00 174.94 176.92 2jtr n ALA 79 N 5.57 2.43 -1.27 9.38 0.00 -1.26 -4.91 120.51 130.45 2jtr n ALA 79 Ca 0.15 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.15 2jtr n ALA 79 Cb 0.41 -1.44 0.10 0.00 0.00 0.00 0.00 19.45 18.52 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 -3.02 2.08 0.98 0.00 -1.94 -1.26 -5.01 119.30 111.13 2jtr s MET 80 Ca 0.13 1.63 -0.12 0.00 -1.71 0.00 0.00 55.69 55.62 2jtr s MET 80 Cb 0.18 -1.84 0.13 0.00 2.01 0.00 0.00 34.83 35.31 2jtr s MET 80 CO 0.56 -1.85 0.82 -2.30 -0.01 0.00 0.00 175.02 172.23 2jtr n PRO 81 N -2.96 -0.79 -4.25 2.03 -0.02 -1.26 -4.89 135.00 122.86 2jtr n PRO 81 Ca 0.12 -0.18 -0.14 0.00 -2.02 0.00 0.00 63.50 61.28 2jtr n PRO 81 Cb 0.51 -2.14 -0.10 0.00 -0.02 0.00 0.00 33.50 31.75 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 -4.21 1.06 0.03 -0.52 3.01 -1.26 -1.12 119.74 116.73 2jtr s LYS 82 Ca 0.63 -1.45 -0.01 0.00 -1.01 0.00 0.00 55.97 54.13 2jtr s LYS 82 Cb -0.22 -0.62 -0.02 0.00 -1.01 0.00 0.00 37.83 35.95 2jtr s LYS 82 CO 0.63 0.07 -0.01 0.14 0.51 0.00 0.00 175.35 176.69 2jtr s VAL 83 N -3.33 0.14 0.71 3.17 -7.23 0.21 -4.70 120.40 109.37 2jtr s VAL 83 Ca 0.17 -1.14 -0.15 0.00 -1.81 0.00 0.00 61.98 59.05 2jtr s VAL 83 Cb 0.03 -0.64 0.03 0.00 0.56 0.00 0.00 36.38 36.36 2jtr s VAL 83 CO 0.01 -0.63 1.18 -0.54 -0.31 0.00 0.00 175.10 174.81 2jtr s LYS 84 N -2.17 2.29 0.00 4.82 -0.14 -1.26 -1.02 119.74 122.26 2jtr s LYS 84 Ca -0.09 1.66 0.03 0.00 -1.36 0.00 0.00 55.97 56.21 2jtr s LYS 84 Cb -0.05 -1.86 0.20 0.00 -1.68 0.00 0.00 37.83 34.45 2jtr s LYS 84 CO -0.03 -1.70 0.68 0.41 -0.76 0.00 0.00 175.35 173.95