#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 1.07 -0.07 0.00 -1.05 -1.26 -2.65 118.70 114.74 2jtr s GLU 2 Ca 0.00 -1.01 -0.07 0.00 -0.15 0.00 0.00 54.97 53.74 2jtr s GLU 2 Cb 0.00 0.40 0.02 0.00 -0.44 0.00 0.00 34.13 34.10 2jtr s GLU 2 CO 0.00 -0.39 0.20 -1.01 0.95 0.00 0.00 175.26 175.01 2jtr s HIS 3 N -3.90 -0.21 -0.66 4.83 3.76 -1.23 -5.00 115.29 112.87 2jtr s HIS 3 Ca 0.10 0.51 -0.27 0.00 -0.15 0.00 0.00 55.06 55.25 2jtr s HIS 3 Cb 0.03 0.07 0.03 0.00 1.11 0.00 0.00 32.58 33.82 2jtr s HIS 3 CO -0.05 -0.12 1.23 -1.58 -0.85 0.00 0.00 174.74 173.37 2jtr s TRP 4 N 0.04 2.45 -0.54 1.40 0.52 -1.26 -1.13 118.94 120.42 2jtr s TRP 4 Ca -0.01 0.16 -0.03 0.00 0.02 0.00 0.00 56.10 56.24 2jtr s TRP 4 Cb -0.02 -4.56 0.14 0.00 -1.15 0.00 0.00 33.47 27.88 2jtr s TRP 4 CO 0.00 -1.83 0.35 0.42 0.02 0.00 0.00 176.95 175.91 2jtr s ILE 5 N 5.32 3.60 0.74 2.03 1.01 -0.67 -1.91 121.20 131.31 2jtr s ILE 5 Ca 0.38 -2.54 -0.14 0.00 0.00 0.00 0.00 60.65 58.36 2jtr s ILE 5 Cb -0.08 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 39.04 2jtr s ILE 5 CO 0.20 -0.80 1.15 -0.62 0.00 0.00 0.00 174.94 174.86 2jtr s ASP 6 N 1.26 4.37 -0.01 3.58 -1.08 0.03 -3.60 116.67 121.22 2jtr s ASP 6 Ca 0.13 2.12 0.01 0.00 -0.52 0.00 0.00 52.55 54.30 2jtr s ASP 6 Cb -0.21 -2.56 0.02 0.00 -1.46 0.00 0.00 42.92 38.71 2jtr s ASP 6 CO -0.04 -2.13 0.84 1.33 0.52 0.00 0.00 175.17 175.69 2jtr n VAL 7 N -2.96 0.19 -0.78 1.11 0.24 -1.06 -1.33 118.33 113.74 2jtr n VAL 7 Ca 0.11 -0.22 -0.32 0.00 -2.04 0.00 0.00 64.34 61.87 2jtr n VAL 7 Cb 0.52 0.61 0.13 0.00 -1.47 0.00 0.00 33.84 33.63 2jtr n VAL 7 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2jtr n ARG 8 N -0.13 -0.32 -1.62 7.34 1.85 -1.26 -1.01 116.66 121.50 2jtr n ARG 8 Ca 0.01 -0.04 -0.40 0.00 -1.00 0.00 0.00 57.85 56.42 2jtr n ARG 8 Cb 0.61 -2.04 0.03 0.00 -1.05 0.00 0.00 32.46 30.01 2jtr n ARG 8 CO 0.00 0.00 0.00 1.33 -0.01 0.00 0.00 177.63 178.95 2jtr n VAL 9 N -3.77 2.91 -0.24 8.89 0.24 -1.26 -3.91 118.33 121.20 2jtr n VAL 9 Ca 0.09 -0.50 0.01 0.00 -2.04 0.00 0.00 64.34 61.90 2jtr n VAL 9 Cb 0.53 -1.20 0.24 0.00 -1.47 0.00 0.00 33.84 31.93 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 1.19 1.01 0.00 7.34 0.13 -1.97 -1.46 132.00 138.24 2jtr h PRO 10 Ca -0.47 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2jtr h PRO 10 Cb 1.34 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2jtr h PRO 10 CO 0.55 0.67 0.00 0.93 -0.23 0.00 0.00 178.00 179.92 2jtr h GLU 11 N 1.04 0.00 0.00 0.86 5.08 -2.03 -1.50 114.58 118.03 2jtr h GLU 11 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2jtr h GLU 11 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 2jtr h GLU 11 CO -0.07 0.00 -0.44 1.04 -1.00 0.00 0.00 179.01 178.54 2jtr n GLN 12 N -2.70 0.02 0.26 2.33 6.02 -0.55 -3.44 117.38 119.31 2jtr n GLN 12 Ca -0.00 0.01 0.15 0.00 -0.01 0.00 0.00 57.00 57.14 2jtr n GLN 12 Cb 0.16 -1.51 0.54 0.00 1.02 0.00 0.00 30.24 30.45 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 0.00 0.00 1.08 3.20 -1.35 -1.86 116.97 118.04 2jtr h TYR 13 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2jtr h TYR 13 Cb 0.52 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2jtr h TYR 13 CO 0.00 0.04 0.00 1.04 -1.64 0.00 0.00 178.16 177.60 2jtr n GLN 14 N -3.14 0.09 -2.39 1.82 6.02 -1.22 -4.06 117.38 114.51 2jtr n GLN 14 Ca 0.01 0.41 -0.08 0.00 -0.01 0.00 0.00 57.00 57.34 2jtr n GLN 14 Cb 0.37 -1.71 -0.01 0.00 1.02 0.00 0.00 30.24 29.92 2jtr n GLN 14 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jtr n GLN 15 N -1.89 1.48 -1.64 -1.09 6.02 -0.70 -1.19 117.38 118.36 2jtr n GLN 15 Ca 0.02 -0.92 -0.44 0.00 -0.01 0.00 0.00 57.00 55.65 2jtr n GLN 15 Cb 0.15 0.17 -0.04 0.00 1.02 0.00 0.00 30.24 31.55 2jtr n GLN 15 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2jtr n GLU 16 N -0.59 2.47 -3.85 -1.09 2.13 -1.26 -4.35 120.64 114.10 2jtr n GLU 16 Ca -0.03 0.86 -0.09 0.00 0.66 0.00 0.00 57.16 58.56 2jtr n GLU 16 Cb 0.16 -2.96 -0.07 0.00 0.27 0.00 0.00 31.44 28.84 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 5.32 0.16 0.36 4.31 -3.43 -0.37 -4.95 115.29 116.69 2jtr s HIS 17 Ca 0.93 -0.57 -0.28 0.00 -0.80 0.00 0.00 55.06 54.34 2jtr s HIS 17 Cb -0.48 -0.03 -0.11 0.00 -1.43 0.00 0.00 32.58 30.52 2jtr s HIS 17 CO 0.43 -0.59 1.49 0.28 -2.00 0.00 0.00 174.74 174.36 2jtr n VAL 18 N -0.10 1.83 -1.70 -5.38 0.31 -1.26 -0.57 118.33 111.46 2jtr n VAL 18 Ca -0.14 -0.46 -0.54 0.00 -0.01 0.00 0.00 64.34 63.19 2jtr n VAL 18 Cb 0.63 -1.95 -0.06 0.00 -0.91 0.00 0.00 33.84 31.55 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 0.73 1.57 -0.95 5.55 0.00 -0.49 -1.88 117.38 121.91 2jtr n GLN 19 Ca 0.03 0.57 0.00 0.00 -0.00 0.00 0.00 57.00 57.60 2jtr n GLN 19 Cb 0.38 -2.32 0.00 0.00 0.00 0.00 0.00 30.24 28.30 2jtr n GLN 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jtr n GLY 20 N 4.28 0.66 3.76 1.69 0.00 -1.26 -5.02 105.19 109.31 2jtr n GLY 20 Ca 0.25 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.81 2.56 0.41 4.61 0.00 -0.79 -4.95 121.76 120.79 2jtr s ALA 21 Ca 0.00 0.86 -0.03 0.00 0.00 0.00 0.00 51.96 52.79 2jtr s ALA 21 Cb 0.00 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.69 2jtr s ALA 21 CO 0.00 -1.08 0.67 -1.50 0.00 0.00 0.00 175.76 173.85 2jtr s ILE 22 N -1.81 5.00 -0.06 0.00 2.07 -0.80 -4.95 121.20 120.64 2jtr s ILE 22 Ca 0.74 -0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.93 2jtr s ILE 22 Cb -0.26 -3.85 0.00 0.00 0.13 0.00 0.00 42.46 38.48 2jtr s ILE 22 CO 0.33 -0.68 -0.17 0.21 -1.91 0.00 0.00 174.94 172.71 2jtr s ASN 23 N -3.99 2.23 -0.39 4.50 2.47 -1.26 -0.79 114.94 117.71 2jtr s ASN 23 Ca 0.44 -0.38 0.01 0.00 0.42 0.00 0.00 52.86 53.36 2jtr s ASN 23 Cb -0.10 -0.80 0.14 0.00 -1.45 0.00 0.00 41.25 39.05 2jtr s ASN 23 CO 0.40 0.12 0.24 -0.63 -3.72 0.00 0.00 177.10 173.51 2jtr s ILE 24 N 0.25 0.57 0.43 -5.21 1.01 -0.44 -4.97 121.20 112.83 2jtr s ILE 24 Ca -0.09 -2.09 -0.23 0.00 0.00 0.00 0.00 60.65 58.23 2jtr s ILE 24 Cb -0.14 -1.41 -0.11 0.00 0.01 0.00 0.00 42.46 40.82 2jtr s ILE 24 CO 0.04 -0.99 0.89 -2.65 0.00 0.00 0.00 174.94 172.23 2jtr n PRO 25 N 3.74 1.11 -0.17 2.79 -0.02 -1.25 -4.30 135.00 136.90 2jtr n PRO 25 Ca 0.13 0.40 0.23 0.00 -2.02 0.00 0.00 63.50 62.24 2jtr n PRO 25 Cb 0.37 -1.91 0.62 0.00 -0.02 0.00 0.00 33.50 32.57 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 1.27 0.18 -0.97 2.45 5.85 -1.28 0.31 115.31 123.13 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 1.36 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2jtr h LEU 26 CO 0.55 0.07 0.00 0.11 -0.34 0.00 0.00 178.44 178.83 2jtr h LYS 27 N 0.18 0.00 0.00 1.25 1.79 -1.89 -3.31 116.57 114.59 2jtr h LYS 27 Ca 0.41 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.88 2jtr h LYS 27 Cb 1.33 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.98 2jtr h LYS 27 CO -0.08 0.00 -0.21 0.39 -1.08 0.00 0.00 179.45 178.47 2jtr n GLU 28 N -2.37 3.21 -0.28 3.15 -0.58 0.47 -4.93 120.64 119.31 2jtr n GLU 28 Ca 0.01 0.00 0.08 0.00 -0.42 0.00 0.00 57.16 56.83 2jtr n GLU 28 Cb 0.20 -0.46 0.23 0.00 -0.57 0.00 0.00 31.44 30.84 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 0.63 0.00 2.62 3.04 -0.64 -1.37 116.25 120.53 2jtr h VAL 29 Ca 0.00 -0.17 -0.01 0.00 -1.01 0.00 0.00 66.70 65.52 2jtr h VAL 29 Cb 0.00 0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 29.38 2jtr h VAL 29 CO 0.00 0.09 -0.03 0.11 -1.01 0.00 0.00 177.57 176.73 2jtr h LYS 30 N 0.49 0.00 0.00 4.17 1.57 -1.87 0.13 116.57 121.06 2jtr h LYS 30 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2jtr h LYS 30 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2jtr h LYS 30 CO -0.42 0.03 -0.30 1.49 -0.57 0.00 0.00 179.45 179.67 2jtr h GLU 31 N 0.00 0.00 0.00 3.15 4.57 -1.65 -3.41 114.58 117.24 2jtr h GLU 31 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2jtr h GLU 31 Cb 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 2jtr h GLU 31 CO 0.00 0.00 -0.16 -2.13 -1.18 0.00 0.00 179.01 175.54 2jtr n ARG 32 N -2.68 3.63 -0.01 1.92 0.63 -0.56 -4.78 116.66 114.82 2jtr n ARG 32 Ca 0.03 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.00 2jtr n ARG 32 Cb 0.50 -0.46 0.41 0.00 0.45 0.00 0.00 32.46 33.36 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 1.12 -0.50 5.15 6.09 -1.02 -1.36 117.51 126.99 2jtr h ILE 33 Ca 0.00 -0.24 -0.01 0.00 -1.37 0.00 0.00 64.86 63.24 2jtr h ILE 33 Cb 0.00 0.51 -0.02 0.00 0.47 0.00 0.00 36.82 37.78 2jtr h ILE 33 CO 0.00 0.12 0.25 0.00 -3.07 0.00 0.00 178.15 175.45 2jtr h ALA 34 N 1.72 1.51 -0.33 0.18 0.00 -1.82 0.10 119.26 120.62 2jtr h ALA 34 Ca 0.15 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2jtr h ALA 34 Cb -0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2jtr h ALA 34 CO -0.03 0.40 -0.19 1.15 0.00 0.00 0.00 179.25 180.58 2jtr h THR 35 N 0.69 1.29 0.00 0.00 2.02 -1.58 -3.12 112.91 112.22 2jtr h THR 35 Ca 0.18 -1.32 -0.14 0.00 0.77 0.00 0.00 66.41 65.90 2jtr h THR 35 Cb 0.05 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 2jtr h THR 35 CO -0.03 0.43 -0.65 0.00 0.37 0.00 0.00 175.52 175.65 2jtr h ALA 36 N 0.76 0.84 -2.59 6.16 0.00 -1.00 -3.39 119.26 120.04 2jtr h ALA 36 Ca 0.07 -0.59 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 2jtr h ALA 36 Cb 0.73 -0.10 -0.39 0.00 0.00 0.00 0.00 17.79 18.03 2jtr h ALA 36 CO 0.05 0.81 -0.86 0.08 0.00 0.00 0.00 179.25 179.33 2jtr s VAL 37 N -3.39 0.96 -1.42 0.00 1.01 0.30 -5.01 120.40 112.85 2jtr s VAL 37 Ca -0.00 -2.92 0.21 0.00 0.00 0.00 0.00 61.98 59.27 2jtr s VAL 37 Cb 0.12 -1.66 0.36 0.00 0.00 0.00 0.00 36.38 35.20 2jtr s VAL 37 CO 0.76 -1.14 1.66 -0.81 0.00 0.00 0.00 175.10 175.57 2jtr n PRO 38 N 2.81 0.29 -3.81 2.72 -0.04 -1.18 -4.51 135.00 131.29 2jtr n PRO 38 Ca 0.25 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.67 2jtr n PRO 38 Cb 0.43 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.58 -0.08 0.56 3.54 -1.08 -1.26 -5.06 116.67 110.71 2jtr s ASP 39 Ca 0.20 0.19 0.33 0.00 -0.52 0.00 0.00 52.55 52.75 2jtr s ASP 39 Cb 0.14 0.15 1.62 0.00 -1.46 0.00 0.00 42.92 43.37 2jtr s ASP 39 CO 0.32 -0.07 2.10 0.11 0.52 0.00 0.00 175.17 178.15 2jtr h LYS 40 N 6.47 0.00 0.00 4.34 1.57 -1.90 -2.66 116.57 124.39 2jtr h LYS 40 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2jtr h LYS 40 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2jtr h LYS 40 CO 0.45 0.07 0.00 -2.95 -0.57 0.00 0.00 179.45 176.44 2jtr h ASN 41 N 0.00 0.00 -3.93 0.86 7.08 -1.97 -3.34 115.58 114.28 2jtr h ASN 41 Ca -0.00 0.00 -0.50 0.00 -3.08 0.00 0.00 56.30 52.71 2jtr h ASN 41 Cb 0.33 0.00 0.05 0.00 -2.08 0.00 0.00 38.32 36.62 2jtr h ASN 41 CO 0.01 0.00 0.50 -0.62 -2.08 0.00 0.00 177.43 175.24 2jtr s ASP 42 N -5.75 6.60 0.51 6.14 2.15 -1.01 -4.82 116.67 120.49 2jtr s ASP 42 Ca 0.04 2.32 -0.18 0.00 0.43 0.00 0.00 52.55 55.16 2jtr s ASP 42 Cb 0.08 -2.61 -0.08 0.00 -0.30 0.00 0.00 42.92 40.01 2jtr s ASP 42 CO 0.59 -0.62 1.00 -0.89 -0.17 0.00 0.00 175.17 175.08 2jtr s THR 43 N -1.42 4.22 -0.01 1.71 2.01 -1.08 -4.67 115.64 116.40 2jtr s THR 43 Ca 0.56 1.17 0.01 0.00 0.31 0.00 0.00 61.69 63.74 2jtr s THR 43 Cb -0.30 -3.57 0.00 0.00 0.01 0.00 0.00 72.50 68.64 2jtr s THR 43 CO 0.38 -0.50 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.10 2jtr s VAL 44 N -2.40 0.15 -0.40 3.82 1.01 -0.41 -3.53 120.40 118.65 2jtr s VAL 44 Ca 0.62 -0.04 -0.06 0.00 0.00 0.00 0.00 61.98 62.50 2jtr s VAL 44 Cb -0.12 -0.16 0.09 0.00 0.00 0.00 0.00 36.38 36.18 2jtr s VAL 44 CO 0.27 0.07 0.21 -0.54 0.00 0.00 0.00 175.10 175.11 2jtr s LYS 45 N 0.19 2.35 0.03 2.72 -0.14 -0.28 -1.37 119.74 123.23 2jtr s LYS 45 Ca -0.02 -1.59 -0.14 0.00 -1.36 0.00 0.00 55.97 52.86 2jtr s LYS 45 Cb -0.04 -3.64 -0.06 0.00 -1.68 0.00 0.00 37.83 32.42 2jtr s LYS 45 CO -0.01 -0.97 0.43 0.14 -0.76 0.00 0.00 175.35 174.18 2jtr s VAL 46 N 1.29 5.01 0.30 3.17 -7.23 -0.29 -1.67 120.40 120.99 2jtr s VAL 46 Ca 0.04 0.79 -0.13 0.00 -1.81 0.00 0.00 61.98 60.87 2jtr s VAL 46 Cb -0.23 -3.71 0.01 0.00 0.56 0.00 0.00 36.38 33.02 2jtr s VAL 46 CO -0.01 0.50 0.59 -0.72 -0.31 0.00 0.00 175.10 175.15 2jtr s TYR 47 N -1.17 0.36 0.25 2.82 1.13 -1.24 -1.13 117.35 118.38 2jtr s TYR 47 Ca 0.27 -0.78 -0.11 0.00 -1.41 0.00 0.00 57.07 55.03 2jtr s TYR 47 Cb -0.16 0.37 0.04 0.00 -1.10 0.00 0.00 41.96 41.11 2jtr s TYR 47 CO 0.15 -1.20 0.59 0.00 -2.51 0.00 0.00 175.55 172.58 2jtr h ASN 49 N 1.40 0.18 0.00 0.00 -0.00 -1.95 -0.18 115.58 115.04 2jtr h ASN 49 Ca -0.23 0.16 0.00 0.00 -0.00 0.00 0.00 56.30 56.23 2jtr h ASN 49 Cb 0.87 0.17 0.00 0.00 -0.00 0.00 0.00 38.32 39.36 2jtr h ASN 49 CO 0.29 -0.03 -0.19 0.00 -0.00 0.00 0.00 177.43 177.50 2jtr n ALA 50 N -2.58 1.92 0.00 1.57 0.00 -1.26 -3.78 120.51 116.37 2jtr n ALA 50 Ca 0.19 -1.43 0.00 0.00 0.00 0.00 0.00 53.44 52.20 2jtr n ALA 50 Cb 0.59 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.73 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 -0.52 1.65 0.25 0.00 0.00 -1.20 -4.79 105.19 100.58 2jtr n GLY 51 Ca 0.05 0.00 -0.08 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 0.00 0.82 -0.57 1.61 3.08 -1.93 -0.71 114.38 116.67 2jtr h ARG 52 Ca 0.00 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2jtr h ARG 52 Cb 0.00 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 2jtr h ARG 52 CO 0.00 0.69 0.23 1.96 -1.07 0.00 0.00 179.97 181.78 2jtr h GLN 53 N 0.76 0.82 -0.02 0.04 7.50 -1.89 -1.02 115.11 121.30 2jtr h GLN 53 Ca 0.19 -0.12 -0.23 0.00 0.50 0.00 0.00 58.65 58.99 2jtr h GLN 53 Cb 0.16 -0.15 0.01 0.00 0.05 0.00 0.00 27.48 27.55 2jtr h GLN 53 CO -0.02 0.68 -0.92 0.66 -1.50 0.00 0.00 178.83 177.73 2jtr h SER 54 N 0.81 0.61 -0.48 1.46 4.64 -1.68 0.10 113.55 119.02 2jtr h SER 54 Ca 0.19 -0.47 -0.01 0.00 -0.47 0.00 0.00 61.79 61.03 2jtr h SER 54 Cb 0.16 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2jtr h SER 54 CO -0.02 1.27 0.25 1.23 -0.87 0.00 0.00 176.83 178.69 2jtr h GLY 55 N 1.07 0.73 0.83 -0.77 0.00 -0.93 0.34 103.07 104.34 2jtr h GLY 55 Ca -0.08 -0.35 0.02 0.00 0.00 0.00 0.00 47.33 46.92 2jtr h GLY 55 CO 0.16 0.33 0.06 1.46 0.00 0.00 0.00 176.54 178.56 2jtr h GLN 56 N 0.64 0.15 -0.69 4.80 7.50 -1.10 -2.89 115.11 123.52 2jtr h GLN 56 Ca 0.17 -0.01 -0.07 0.00 0.50 0.00 0.00 58.65 59.24 2jtr h GLN 56 Cb 0.08 -0.03 -0.03 0.00 0.05 0.00 0.00 27.48 27.55 2jtr h GLN 56 CO -0.02 0.10 0.15 0.00 -1.50 0.00 0.00 178.83 177.56 2jtr h ALA 57 N 1.13 0.96 -0.82 3.87 0.00 -0.55 -2.77 119.26 121.07 2jtr h ALA 57 Ca 0.09 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.82 2jtr h ALA 57 Cb 0.06 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.52 2jtr h ALA 57 CO -0.09 0.66 0.49 -0.22 0.00 0.00 0.00 179.25 180.09 2jtr h LYS 58 N 1.06 0.83 0.25 0.00 3.64 -0.73 -0.74 116.57 120.89 2jtr h LYS 58 Ca 0.22 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2jtr h LYS 58 Cb 0.39 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 2jtr h LYS 58 CO 0.01 0.55 -0.12 0.93 -2.27 0.00 0.00 179.45 178.55 2jtr h GLU 59 N 0.86 -0.33 -0.32 1.90 5.08 -1.32 -1.34 114.58 119.11 2jtr h GLU 59 Ca 0.38 0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.67 2jtr h GLU 59 Cb 0.26 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2jtr h GLU 59 CO -0.21 -0.08 -0.20 -0.84 -1.00 0.00 0.00 179.01 176.69 2jtr h ILE 60 N -0.55 1.26 -0.11 3.13 3.07 -1.33 -1.40 117.51 121.58 2jtr h ILE 60 Ca -0.03 -1.22 -0.16 0.00 1.55 0.00 0.00 64.86 64.99 2jtr h ILE 60 Cb 0.40 1.23 -0.01 0.00 -0.27 0.00 0.00 36.82 38.17 2jtr h ILE 60 CO 0.06 0.40 -0.61 -0.07 -1.05 0.00 0.00 178.15 176.88 2jtr h LEU 61 N 0.54 0.44 -0.71 0.16 3.38 -1.13 0.47 115.31 118.45 2jtr h LEU 61 Ca 0.08 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 2jtr h LEU 61 Cb 0.64 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2jtr h LEU 61 CO 0.05 0.94 0.25 0.28 0.09 0.00 0.00 178.44 180.05 2jtr h SER 62 N 0.28 1.01 -0.47 -0.43 0.02 -0.94 -0.65 113.55 112.38 2jtr h SER 62 Ca -0.01 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.68 2jtr h SER 62 Cb 1.14 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 2jtr h SER 62 CO 0.10 0.93 0.04 -0.08 -1.14 0.00 0.00 176.83 176.68 2jtr h GLU 63 N 1.04 0.87 0.00 3.45 4.81 -0.85 -1.01 114.58 122.88 2jtr h GLU 63 Ca 0.23 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2jtr h GLU 63 Cb 0.26 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.53 2jtr h GLU 63 CO -0.01 0.84 0.00 -1.33 -0.73 0.00 0.00 179.01 177.78 2jtr n MET 64 N -4.22 0.37 -0.20 1.92 2.81 0.12 -4.88 117.12 113.05 2jtr n MET 64 Ca 0.03 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2jtr n MET 64 Cb 0.29 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 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 0.08 0.73 3.57 3.03 0.00 -0.38 -5.01 105.19 107.21 2jtr n GLY 65 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.22 2.26 -2.00 1.61 1.51 -0.32 -4.83 117.35 113.36 2jtr s TYR 66 Ca 0.00 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 2jtr s TYR 66 Cb 0.00 -4.39 0.03 0.00 -0.11 0.00 0.00 41.96 37.49 2jtr s TYR 66 CO 0.00 -1.72 0.59 0.25 -1.11 0.00 0.00 175.55 173.56 2jtr n THR 67 N 7.25 0.00 -2.23 -0.71 -2.24 -1.25 -3.44 114.28 111.66 2jtr n THR 67 Ca 0.40 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.22 2jtr n THR 67 Cb 0.48 -0.23 0.05 0.00 -2.10 0.00 0.00 70.33 68.52 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 -0.52 0.00 -3.20 4.78 8.25 -1.26 -5.04 115.22 118.23 2jtr n HIS 68 Ca 0.00 -0.58 -0.39 0.00 -0.26 0.00 0.00 57.72 56.49 2jtr n HIS 68 Cb 0.00 -0.15 -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 -0.58 4.76 0.01 1.59 1.01 -1.22 -1.29 120.40 124.68 2jtr s VAL 69 Ca 0.29 1.30 0.02 0.00 0.00 0.00 0.00 61.98 63.59 2jtr s VAL 69 Cb 0.32 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2jtr s VAL 69 CO -0.12 0.49 -0.05 -0.70 0.00 0.00 0.00 175.10 174.72 2jtr s GLU 70 N -0.73 0.40 -0.45 2.72 2.56 -0.47 -4.95 118.70 117.78 2jtr s GLU 70 Ca 0.31 -0.39 -0.25 0.00 0.00 0.00 0.00 54.97 54.64 2jtr s GLU 70 Cb -0.19 -0.28 0.02 0.00 2.00 0.00 0.00 34.13 35.68 2jtr s GLU 70 CO 0.19 0.07 0.92 1.21 -0.56 0.00 0.00 175.26 177.09 2jtr s ASN 71 N -0.70 6.52 0.37 -1.70 3.04 -1.26 -1.13 114.94 120.08 2jtr s ASN 71 Ca -0.04 0.18 0.09 0.00 0.04 0.00 0.00 52.86 53.14 2jtr s ASN 71 Cb -0.05 -2.45 0.73 0.00 -1.54 0.00 0.00 41.25 37.94 2jtr s ASN 71 CO -0.00 -1.01 1.88 0.00 -3.04 0.00 0.00 177.10 174.93 2jtr h ALA 72 N 8.98 1.44 0.00 1.71 0.00 -1.46 -3.48 119.26 126.45 2jtr h ALA 72 Ca -0.24 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jtr h ALA 72 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2jtr h ALA 72 CO 1.01 0.40 0.00 0.41 0.00 0.00 0.00 179.25 181.07 2jtr n GLY 73 N -0.74 0.06 3.67 0.00 0.00 -1.26 -4.87 105.19 102.04 2jtr n GLY 73 Ca -0.01 -1.25 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 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 1.81 0.26 -0.02 0.00 -1.26 -4.11 107.32 103.99 2jtr s GLY 74 Ca 0.00 -1.76 -0.07 0.00 0.00 0.00 0.00 44.72 42.90 2jtr s GLY 74 CO 0.00 -1.76 1.60 -2.00 0.00 0.00 0.00 173.10 170.94 2jtr h LEU 75 N 1.78 -0.59 -0.78 0.66 5.85 -1.11 0.40 115.31 121.51 2jtr h LEU 75 Ca -0.44 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2jtr h LEU 75 Cb 1.25 0.46 0.00 0.00 0.37 0.00 0.00 40.66 42.74 2jtr h LEU 75 CO 0.62 -0.26 0.00 0.11 -0.34 0.00 0.00 178.44 178.57 2jtr h LYS 76 N 0.03 0.00 0.00 1.25 1.79 -1.88 -3.13 116.57 114.64 2jtr h LYS 76 Ca 0.45 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.85 2jtr h LYS 76 Cb 0.78 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.42 2jtr h LYS 76 CO -0.82 0.00 -1.22 -3.47 -1.08 0.00 0.00 179.45 172.85 2jtr n ASP 77 N -2.85 0.81 -4.73 0.86 2.03 0.11 -4.91 116.55 107.87 2jtr n ASP 77 Ca 0.02 0.33 -0.42 0.00 0.52 0.00 0.00 54.79 55.25 2jtr n ASP 77 Cb 0.36 0.40 -0.02 0.00 -0.72 0.00 0.00 41.12 41.14 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 -3.18 2.44 -0.43 5.18 -1.09 -1.09 -4.91 121.20 118.12 2jtr s ILE 78 Ca -0.02 0.34 0.26 0.00 -2.23 0.00 0.00 60.65 59.01 2jtr s ILE 78 Cb 0.09 -3.22 0.32 0.00 -1.58 0.00 0.00 42.46 38.08 2jtr s ILE 78 CO 0.80 0.04 1.74 0.00 -1.23 0.00 0.00 174.94 176.30 2jtr h ALA 79 N 5.75 1.00 -2.48 9.38 0.00 -1.90 -3.47 119.26 127.54 2jtr h ALA 79 Ca -0.45 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.94 2jtr h ALA 79 Cb 1.21 0.00 0.14 0.00 0.00 0.00 0.00 17.79 19.14 2jtr h ALA 79 CO 0.84 0.00 0.35 -1.64 0.00 0.00 0.00 179.25 178.81 2jtr s MET 80 N -3.28 2.28 0.97 0.00 -1.94 -1.26 -5.03 119.30 111.04 2jtr s MET 80 Ca 0.07 1.49 -0.11 0.00 -1.71 0.00 0.00 55.69 55.42 2jtr s MET 80 Cb 0.08 -1.88 0.16 0.00 2.01 0.00 0.00 34.83 35.21 2jtr s MET 80 CO 0.59 -1.67 1.05 -2.30 -0.01 0.00 0.00 175.02 172.68 2jtr n PRO 81 N -2.93 -0.82 -4.28 2.03 -0.02 -1.26 -4.91 135.00 122.81 2jtr n PRO 81 Ca 0.11 -0.18 -0.16 0.00 -2.02 0.00 0.00 63.50 61.26 2jtr n PRO 81 Cb 0.52 -2.29 -0.10 0.00 -0.02 0.00 0.00 33.50 31.61 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 -4.50 1.16 0.32 -0.52 3.01 -1.26 -1.39 119.74 116.56 2jtr s LYS 82 Ca 0.66 -1.51 0.05 0.00 -1.01 0.00 0.00 55.97 54.17 2jtr s LYS 82 Cb -0.23 -0.78 -0.03 0.00 -1.01 0.00 0.00 37.83 35.79 2jtr s LYS 82 CO 0.60 0.10 0.30 0.14 0.51 0.00 0.00 175.35 177.00 2jtr s VAL 83 N -3.22 0.00 0.32 3.17 -7.23 0.27 -4.72 120.40 108.99 2jtr s VAL 83 Ca 0.19 -1.94 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 2jtr s VAL 83 Cb 0.02 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 2jtr s VAL 83 CO 0.03 0.00 0.11 -0.54 -0.31 0.00 0.00 175.10 174.39 2jtr s LYS 84 N -3.43 1.64 0.00 4.82 1.02 -1.26 -1.24 119.74 121.29 2jtr s LYS 84 Ca 0.39 -1.94 0.00 0.00 0.02 0.00 0.00 55.97 54.44 2jtr s LYS 84 Cb 0.02 -0.44 0.00 0.00 -0.52 0.00 0.00 37.83 36.89 2jtr s LYS 84 CO 0.26 -0.36 0.41 0.41 -0.92 0.00 0.00 175.35 175.15