#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 0.90 0.06 0.00 1.03 -1.26 -1.43 118.70 118.00 2jtr s GLU 2 Ca 0.00 -0.73 -0.05 0.00 0.03 0.00 0.00 54.97 54.22 2jtr s GLU 2 Cb 0.00 0.38 -0.02 0.00 -0.80 0.00 0.00 34.13 33.70 2jtr s GLU 2 CO 0.00 -0.31 0.08 -1.01 -1.33 0.00 0.00 175.26 172.69 2jtr s HIS 3 N -3.41 0.29 -0.21 4.83 3.76 -0.62 -4.90 115.29 115.03 2jtr s HIS 3 Ca 0.01 -0.71 -0.11 0.00 -0.15 0.00 0.00 55.06 54.10 2jtr s HIS 3 Cb 0.02 -0.20 -0.05 0.00 1.11 0.00 0.00 32.58 33.47 2jtr s HIS 3 CO -0.09 -0.42 0.18 -1.58 -0.85 0.00 0.00 174.74 171.98 2jtr s TRP 4 N -3.39 3.38 -0.20 1.40 0.52 -1.26 -1.41 118.94 117.98 2jtr s TRP 4 Ca 0.02 0.35 0.01 0.00 0.02 0.00 0.00 56.10 56.50 2jtr s TRP 4 Cb 0.03 -2.25 0.04 0.00 -1.15 0.00 0.00 33.47 30.14 2jtr s TRP 4 CO -0.08 0.19 -0.14 0.42 0.02 0.00 0.00 176.95 177.35 2jtr s ILE 5 N 0.67 1.92 0.02 2.03 1.09 -0.56 -0.87 121.20 125.51 2jtr s ILE 5 Ca 0.10 -1.10 -0.30 0.00 -1.10 0.00 0.00 60.65 58.25 2jtr s ILE 5 Cb -0.12 -1.88 -0.04 0.00 -1.06 0.00 0.00 42.46 39.35 2jtr s ILE 5 CO 0.02 0.29 1.08 -0.62 -0.10 0.00 0.00 174.94 175.61 2jtr s ASP 6 N 1.29 7.23 0.00 3.58 -1.08 0.26 -2.10 116.67 125.85 2jtr s ASP 6 Ca -0.00 1.81 0.06 0.00 -0.52 0.00 0.00 52.55 53.89 2jtr s ASP 6 Cb -0.16 -2.57 0.03 0.00 -1.46 0.00 0.00 42.92 38.77 2jtr s ASP 6 CO -0.09 -0.37 0.63 0.52 0.52 0.00 0.00 175.17 176.37 2jtr n VAL 7 N 3.98 0.00 -0.78 1.11 0.31 0.54 -1.18 118.33 122.30 2jtr n VAL 7 Ca 0.08 -0.49 -0.31 0.00 -0.01 0.00 0.00 64.34 63.61 2jtr n VAL 7 Cb 0.49 1.11 0.17 0.00 -0.91 0.00 0.00 33.84 34.69 2jtr n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jtr s ARG 8 N -0.60 0.93 0.59 5.55 1.70 -1.26 -2.27 118.95 123.60 2jtr s ARG 8 Ca 0.06 1.36 -0.19 0.00 -0.47 0.00 0.00 55.73 56.49 2jtr s ARG 8 Cb 0.05 -1.73 -0.05 0.00 -0.57 0.00 0.00 34.95 32.65 2jtr s ARG 8 CO 0.09 -2.62 1.03 1.33 -1.08 0.00 0.00 175.30 174.05 2jtr n VAL 9 N -4.21 3.73 0.15 4.99 0.24 -1.26 -4.21 118.33 117.76 2jtr n VAL 9 Ca 0.10 -0.50 0.01 0.00 -2.04 0.00 0.00 64.34 61.91 2jtr n VAL 9 Cb 0.53 -1.23 0.34 0.00 -1.47 0.00 0.00 33.84 32.01 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 0.66 0.13 0.00 7.34 0.13 -1.98 -0.11 132.00 138.16 2jtr h PRO 10 Ca -0.49 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 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 0.52 0.43 0.00 0.93 -0.23 0.00 0.00 178.00 179.65 2jtr h GLU 11 N 0.11 0.00 0.13 0.86 4.39 -2.00 -2.12 114.58 115.95 2jtr h GLU 11 Ca 0.02 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.35 2jtr h GLU 11 Cb 0.60 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2jtr h GLU 11 CO 0.04 0.00 -1.96 1.96 -1.16 0.00 0.00 179.01 177.89 2jtr h GLN 12 N 0.00 0.28 -0.76 2.33 4.20 -1.39 -3.33 115.11 116.43 2jtr h GLN 12 Ca 0.00 -0.47 0.11 0.00 0.06 0.00 0.00 58.65 58.34 2jtr h GLN 12 Cb 0.40 0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.28 2jtr h GLN 12 CO 0.00 1.23 0.39 -0.92 -0.67 0.00 0.00 178.83 178.85 2jtr h TYR 13 N 0.06 0.69 -0.25 2.96 5.03 -1.09 0.19 116.97 124.56 2jtr h TYR 13 Ca -0.42 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 60.91 2jtr h TYR 13 Cb 2.03 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 40.10 2jtr h TYR 13 CO 0.08 0.23 0.08 1.96 -1.32 0.00 0.00 178.16 179.19 2jtr h GLN 14 N 0.63 0.34 0.05 1.82 4.20 -1.56 -2.82 115.11 117.77 2jtr h GLN 14 Ca 0.39 -0.04 -0.27 0.00 0.06 0.00 0.00 58.65 58.79 2jtr h GLN 14 Cb 0.44 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.13 2jtr h GLN 14 CO -0.29 0.30 -1.37 1.96 -0.67 0.00 0.00 178.83 178.76 2jtr h GLN 15 N 0.35 0.10 -1.59 1.46 4.20 -1.22 -3.13 115.11 115.28 2jtr h GLN 15 Ca 0.09 -0.17 0.10 0.00 0.06 0.00 0.00 58.65 58.73 2jtr h GLN 15 Cb 0.10 0.06 -0.24 0.00 0.30 0.00 0.00 27.48 27.70 2jtr h GLN 15 CO -0.01 0.93 0.22 -2.00 -0.67 0.00 0.00 178.83 177.30 2jtr s GLU 16 N -2.65 0.46 0.21 1.46 2.12 -0.11 -1.58 118.70 118.61 2jtr s GLU 16 Ca -0.04 0.88 -0.20 0.00 0.36 0.00 0.00 54.97 55.97 2jtr s GLU 16 Cb 0.08 0.24 0.04 0.00 0.26 0.00 0.00 34.13 34.76 2jtr s GLU 16 CO 0.84 -0.11 0.61 -3.38 -0.54 0.00 0.00 175.26 172.67 2jtr s HIS 17 N 1.78 -0.29 0.29 5.30 -3.43 -0.61 -3.99 115.29 114.34 2jtr s HIS 17 Ca -0.08 -0.04 -0.29 0.00 -0.80 0.00 0.00 55.06 53.85 2jtr s HIS 17 Cb -0.05 0.54 -0.10 0.00 -1.43 0.00 0.00 32.58 31.54 2jtr s HIS 17 CO -0.17 -0.98 1.42 0.08 -2.00 0.00 0.00 174.74 173.08 2jtr s VAL 18 N -3.84 2.56 -0.16 -5.38 1.01 -1.26 -1.03 120.40 112.30 2jtr s VAL 18 Ca 0.07 0.51 -0.36 0.00 0.00 0.00 0.00 61.98 62.19 2jtr s VAL 18 Cb -0.02 -3.32 -0.13 0.00 0.00 0.00 0.00 36.38 32.90 2jtr s VAL 18 CO -0.04 0.10 1.84 1.67 0.00 0.00 0.00 175.10 178.67 2jtr n GLN 19 N 1.67 1.80 -0.69 2.72 7.27 -0.41 -2.31 117.38 127.43 2jtr n GLN 19 Ca 0.04 0.66 0.00 0.00 0.07 0.00 0.00 57.00 57.77 2jtr n GLN 19 Cb 0.40 -2.45 0.00 0.00 2.41 0.00 0.00 30.24 30.60 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 4.36 0.81 3.75 1.69 0.00 -1.26 -5.01 105.19 109.54 2jtr n GLY 20 Ca 0.24 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.16 2.35 0.62 4.61 0.00 -0.98 -4.87 121.76 120.33 2jtr s ALA 21 Ca 0.00 0.69 -0.15 0.00 0.00 0.00 0.00 51.96 52.51 2jtr s ALA 21 Cb 0.00 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 2jtr s ALA 21 CO 0.00 -1.46 1.06 0.42 0.00 0.00 0.00 175.76 175.78 2jtr s ILE 22 N -2.16 3.78 -0.48 0.00 -1.09 -0.05 -4.83 121.20 116.37 2jtr s ILE 22 Ca 0.70 0.79 -0.16 0.00 -2.23 0.00 0.00 60.65 59.76 2jtr s ILE 22 Cb -0.24 -3.35 0.07 0.00 -1.58 0.00 0.00 42.46 37.36 2jtr s ILE 22 CO 0.42 -0.55 0.44 0.21 -1.23 0.00 0.00 174.94 174.23 2jtr s ASN 23 N -2.93 6.16 -0.43 3.58 2.47 -1.26 -0.58 114.94 121.95 2jtr s ASN 23 Ca 0.63 -1.28 0.05 0.00 0.42 0.00 0.00 52.86 52.68 2jtr s ASN 23 Cb -0.16 -2.20 0.19 0.00 -1.45 0.00 0.00 41.25 37.63 2jtr s ASN 23 CO 0.40 -0.69 0.41 -0.38 -3.72 0.00 0.00 177.10 173.12 2jtr n ILE 24 N 5.27 -0.80 -0.78 -5.21 2.08 -0.32 -4.98 119.36 114.61 2jtr n ILE 24 Ca -0.12 -3.72 -0.33 0.00 0.56 0.00 0.00 62.75 59.15 2jtr n ILE 24 Cb 0.44 -1.78 0.13 0.00 -0.75 0.00 0.00 39.64 37.68 2jtr n ILE 24 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 2jtr n PRO 25 N 2.34 -0.32 -0.29 0.38 -0.02 -1.24 -4.12 135.00 131.74 2jtr n PRO 25 Ca 0.27 -0.05 0.06 0.00 -2.02 0.00 0.00 63.50 61.76 2jtr n PRO 25 Cb 0.48 -1.94 0.20 0.00 -0.02 0.00 0.00 33.50 32.23 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 -1.61 0.55 -1.91 2.45 5.85 -1.72 0.22 115.31 119.14 2jtr h LEU 26 Ca -0.43 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 2jtr h LEU 26 Cb 1.28 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 42.29 2jtr h LEU 26 CO 0.35 0.26 -0.05 0.11 -0.34 0.00 0.00 178.44 178.77 2jtr h LYS 27 N 0.66 0.00 0.02 1.25 1.57 -1.90 -3.00 116.57 115.16 2jtr h LYS 27 Ca 0.44 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.90 2jtr h LYS 27 Cb 0.56 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.82 2jtr h LYS 27 CO -0.33 0.05 -1.86 0.39 -0.57 0.00 0.00 179.45 177.13 2jtr n GLU 28 N -4.45 0.66 -0.25 3.15 -0.58 0.62 -4.43 120.64 115.36 2jtr n GLU 28 Ca -0.03 0.24 -0.01 0.00 -0.42 0.00 0.00 57.16 56.95 2jtr n GLU 28 Cb 0.14 -1.74 0.06 0.00 -0.57 0.00 0.00 31.44 29.33 2jtr n GLU 28 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2jtr h VAL 29 N 0.01 0.21 -0.08 2.62 2.07 -0.96 0.71 116.25 120.83 2jtr h VAL 29 Ca -0.35 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.20 2jtr h VAL 29 Cb 2.05 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.02 2jtr h VAL 29 CO 0.07 0.00 0.14 0.50 0.02 0.00 0.00 177.57 178.30 2jtr h LYS 30 N -0.06 0.00 0.00 1.57 3.64 -1.77 -1.69 116.57 118.26 2jtr h LYS 30 Ca 0.32 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 2jtr h LYS 30 Cb 0.55 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2jtr h LYS 30 CO -0.75 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 176.82 2jtr n GLU 31 N -3.50 0.50 0.00 1.90 1.02 -0.38 -4.87 120.64 115.33 2jtr n GLU 31 Ca -0.01 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 2jtr n GLU 31 Cb 0.23 -0.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 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 -0.15 4.37 0.26 3.49 0.63 0.10 -4.86 116.66 120.51 2jtr n ARG 32 Ca 0.00 0.00 0.09 0.00 -0.92 0.00 0.00 57.85 57.02 2jtr n ARG 32 Cb 0.06 -0.61 0.66 0.00 0.45 0.00 0.00 32.46 33.02 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 0.94 -0.14 5.15 6.09 -1.47 -0.69 117.51 127.40 2jtr h ILE 33 Ca 0.00 -0.08 0.04 0.00 -1.37 0.00 0.00 64.86 63.45 2jtr h ILE 33 Cb 0.02 1.04 -0.01 0.00 0.47 0.00 0.00 36.82 38.35 2jtr h ILE 33 CO 0.00 0.02 0.14 0.00 -3.07 0.00 0.00 178.15 175.24 2jtr h ALA 34 N 1.98 1.80 -0.38 0.18 0.00 -1.83 0.11 119.26 121.12 2jtr h ALA 34 Ca -0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2jtr h ALA 34 Cb 0.04 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2jtr h ALA 34 CO 0.00 -0.21 -0.12 1.15 0.00 0.00 0.00 179.25 180.08 2jtr h THR 35 N 0.00 1.25 0.00 0.00 2.02 -1.49 -2.95 112.91 111.74 2jtr h THR 35 Ca 0.06 -1.12 -0.23 0.00 0.77 0.00 0.00 66.41 65.90 2jtr h THR 35 Cb 0.34 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 2jtr h THR 35 CO -0.00 0.38 -1.78 0.00 0.37 0.00 0.00 175.52 174.49 2jtr n ALA 36 N -2.48 1.83 -3.40 6.16 0.00 -0.22 -4.68 120.51 117.72 2jtr n ALA 36 Ca 0.01 -0.78 -0.26 0.00 0.00 0.00 0.00 53.44 52.40 2jtr n ALA 36 Cb 0.35 -0.72 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.82 -0.52 0.45 0.00 0.31 0.23 -5.00 118.33 110.98 2jtr n VAL 37 Ca -0.16 -3.87 0.12 0.00 -0.01 0.00 0.00 64.34 60.41 2jtr n VAL 37 Cb 0.94 -1.83 0.47 0.00 -0.91 0.00 0.00 33.84 32.50 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 2.21 0.18 -3.83 5.55 -0.04 -1.11 -4.30 135.00 133.66 2jtr n PRO 38 Ca 0.26 0.37 -0.11 0.00 -0.04 0.00 0.00 63.50 63.98 2jtr n PRO 38 Cb 0.47 -1.82 -0.09 0.00 -0.04 0.00 0.00 33.50 32.03 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 -4.14 -0.02 0.56 3.54 2.15 -1.26 -5.05 116.67 112.46 2jtr s ASP 39 Ca 0.06 -0.22 0.26 0.00 0.43 0.00 0.00 52.55 53.07 2jtr s ASP 39 Cb 0.10 0.27 1.53 0.00 -0.30 0.00 0.00 42.92 44.52 2jtr s ASP 39 CO 0.41 -0.48 2.07 0.07 -0.17 0.00 0.00 175.17 177.06 2jtr h LYS 40 N 3.77 0.00 -0.16 4.34 2.10 -1.90 -3.09 116.57 121.63 2jtr h LYS 40 Ca -0.31 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.28 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 0.44 0.00 -0.17 -0.97 -2.00 0.00 0.00 179.45 176.75 2jtr h ASN 41 N 0.00 0.25 -3.51 7.07 -1.24 -1.97 -3.38 115.58 112.80 2jtr h ASN 41 Ca 0.13 -0.06 -0.52 0.00 0.71 0.00 0.00 56.30 56.56 2jtr h ASN 41 Cb 0.61 -0.07 0.04 0.00 0.73 0.00 0.00 38.32 39.64 2jtr h ASN 41 CO -0.00 0.44 0.66 -0.62 -1.29 0.00 0.00 177.43 176.62 2jtr s ASP 42 N -6.87 6.84 0.12 1.15 2.15 -1.17 -4.93 116.67 113.96 2jtr s ASP 42 Ca -0.05 2.51 -0.25 0.00 0.43 0.00 0.00 52.55 55.19 2jtr s ASP 42 Cb 0.15 -2.62 -0.07 0.00 -0.30 0.00 0.00 42.92 40.08 2jtr s ASP 42 CO 0.74 -0.54 0.76 -0.89 -0.17 0.00 0.00 175.17 175.06 2jtr s THR 43 N -0.26 4.51 -0.41 1.71 2.01 -0.51 -4.77 115.64 117.93 2jtr s THR 43 Ca 0.55 1.64 0.04 0.00 0.31 0.00 0.00 61.69 64.23 2jtr s THR 43 Cb -0.38 -4.11 0.11 0.00 0.01 0.00 0.00 72.50 68.13 2jtr s THR 43 CO 0.43 0.48 0.13 -0.69 -0.69 0.00 0.00 174.62 174.27 2jtr s VAL 44 N -0.79 2.37 -1.02 3.82 1.01 0.02 -1.59 120.40 124.22 2jtr s VAL 44 Ca 0.36 -2.70 -0.23 0.00 0.00 0.00 0.00 61.98 59.41 2jtr s VAL 44 Cb -0.22 -2.71 0.04 0.00 0.00 0.00 0.00 36.38 33.49 2jtr s VAL 44 CO 0.25 -0.68 1.51 -0.54 0.00 0.00 0.00 175.10 175.64 2jtr s LYS 45 N 0.46 3.49 0.18 2.72 -0.14 -0.50 -2.12 119.74 123.84 2jtr s LYS 45 Ca 0.13 -1.07 -0.28 0.00 -1.36 0.00 0.00 55.97 53.39 2jtr s LYS 45 Cb -0.22 -5.34 -0.08 0.00 -1.68 0.00 0.00 37.83 30.52 2jtr s LYS 45 CO -0.05 -2.34 0.88 0.14 -0.76 0.00 0.00 175.35 173.21 2jtr s VAL 46 N 5.50 4.28 0.26 3.17 -7.23 -0.73 -1.49 120.40 124.17 2jtr s VAL 46 Ca 0.49 1.93 -0.09 0.00 -1.81 0.00 0.00 61.98 62.49 2jtr s VAL 46 Cb -0.01 -4.25 -0.01 0.00 0.56 0.00 0.00 36.38 32.68 2jtr s VAL 46 CO -0.08 0.47 0.43 -0.72 -0.31 0.00 0.00 175.10 174.89 2jtr s TYR 47 N -0.91 0.61 0.00 2.82 1.13 -0.89 -1.64 117.35 118.47 2jtr s TYR 47 Ca 0.40 -0.94 0.00 0.00 -1.41 0.00 0.00 57.07 55.12 2jtr s TYR 47 Cb -0.24 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.66 2jtr s TYR 47 CO 0.29 -0.98 0.00 0.00 -2.51 0.00 0.00 175.55 172.35 2jtr h ASN 49 N 0.00 0.01 0.00 0.00 -0.00 -1.94 0.93 115.58 114.58 2jtr h ASN 49 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.30 56.37 2jtr h ASN 49 Cb 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 2jtr h ASN 49 CO 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 177.43 177.47 2jtr n ALA 50 N -2.44 0.00 0.00 1.57 0.00 -1.26 -2.28 120.51 116.09 2jtr n ALA 50 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jtr n ALA 50 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 0.00 1.05 0.45 0.00 0.00 -1.26 -4.17 105.19 101.25 2jtr n GLY 51 Ca 0.00 0.00 -0.18 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 0.00 -0.93 -0.78 1.61 3.08 -1.95 0.32 114.38 115.75 2jtr h ARG 52 Ca 0.00 0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2jtr h ARG 52 Cb 0.00 0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 2jtr h ARG 52 CO 0.00 -0.62 0.51 1.96 -1.07 0.00 0.00 179.97 180.76 2jtr h GLN 53 N -0.96 0.96 -0.12 0.04 1.08 -1.94 0.71 115.11 114.88 2jtr h GLN 53 Ca -0.06 -0.06 -0.20 0.00 -1.45 0.00 0.00 58.65 56.88 2jtr h GLN 53 Cb 0.81 -0.22 0.01 0.00 -0.05 0.00 0.00 27.48 28.03 2jtr h GLN 53 CO 0.01 0.64 -0.71 0.66 -0.95 0.00 0.00 178.83 178.47 2jtr h SER 54 N 0.99 0.84 -0.44 1.46 4.64 -1.74 -0.05 113.55 119.25 2jtr h SER 54 Ca 0.30 -0.65 -0.05 0.00 -0.47 0.00 0.00 61.79 60.93 2jtr h SER 54 Cb -0.01 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 2jtr h SER 54 CO -0.08 1.35 0.08 1.23 -0.87 0.00 0.00 176.83 178.54 2jtr h GLY 55 N 0.38 0.78 0.64 -0.77 0.00 -0.55 -2.37 103.07 101.18 2jtr h GLY 55 Ca -0.05 -0.51 0.07 0.00 0.00 0.00 0.00 47.33 46.83 2jtr h GLY 55 CO 0.15 0.47 0.38 1.46 0.00 0.00 0.00 176.54 179.00 2jtr h GLN 56 N 0.59 0.67 0.00 4.80 4.20 -0.87 -2.21 115.11 122.29 2jtr h GLN 56 Ca 0.14 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 2jtr h GLN 56 Cb 0.36 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 2jtr h GLN 56 CO 0.01 0.44 -0.15 0.00 -0.67 0.00 0.00 178.83 178.46 2jtr h ALA 57 N 1.37 1.67 -0.28 3.87 0.00 -0.56 -2.16 119.26 123.17 2jtr h ALA 57 Ca 0.32 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2jtr h ALA 57 Cb 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2jtr h ALA 57 CO -0.20 0.19 0.19 0.87 0.00 0.00 0.00 179.25 180.29 2jtr h LYS 58 N 0.00 0.30 0.23 0.00 1.57 -0.90 -0.55 116.57 117.22 2jtr h LYS 58 Ca -0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2jtr h LYS 58 Cb 0.28 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2jtr h LYS 58 CO 0.02 0.20 -0.11 0.93 -0.57 0.00 0.00 179.45 179.92 2jtr h GLU 59 N 0.30 -0.29 -0.39 3.15 5.08 -1.47 -0.68 114.58 120.28 2jtr h GLU 59 Ca 0.11 0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.41 2jtr h GLU 59 Cb 0.07 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2jtr h GLU 59 CO -0.02 0.04 -0.08 -0.84 -1.00 0.00 0.00 179.01 177.10 2jtr h ILE 60 N -0.66 1.24 -0.42 3.13 3.07 -1.61 -2.14 117.51 120.12 2jtr h ILE 60 Ca -0.03 -1.05 -0.10 0.00 1.55 0.00 0.00 64.86 65.24 2jtr h ILE 60 Cb 0.47 1.03 -0.02 0.00 -0.27 0.00 0.00 36.82 38.03 2jtr h ILE 60 CO 0.05 0.36 -0.13 -0.07 -1.05 0.00 0.00 178.15 177.31 2jtr h LEU 61 N 0.61 0.75 -0.60 0.16 3.38 -1.03 0.12 115.31 118.69 2jtr h LEU 61 Ca 0.11 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 2jtr h LEU 61 Cb 0.50 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2jtr h LEU 61 CO 0.03 0.90 0.19 0.28 0.09 0.00 0.00 178.44 179.93 2jtr h SER 62 N 0.68 0.87 -0.56 -0.43 0.02 -0.84 -0.55 113.55 112.74 2jtr h SER 62 Ca 0.11 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.77 2jtr h SER 62 Cb 0.61 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2jtr h SER 62 CO 0.04 0.84 0.04 -0.08 -1.14 0.00 0.00 176.83 176.54 2jtr h GLU 63 N 0.85 1.00 0.00 3.45 4.81 -0.84 -1.93 114.58 121.93 2jtr h GLU 63 Ca 0.19 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2jtr h GLU 63 Cb 0.28 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2jtr h GLU 63 CO -0.01 0.96 0.00 -1.33 -0.73 0.00 0.00 179.01 177.90 2jtr n MET 64 N -4.20 0.05 -0.12 1.92 2.81 0.35 -4.90 117.12 113.04 2jtr n MET 64 Ca 0.03 0.28 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 2jtr n MET 64 Cb 0.31 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 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 0.07 0.94 3.79 3.03 0.00 -0.63 -5.06 105.19 107.33 2jtr n GLY 65 Ca 0.03 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 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 2.94 0.00 1.61 1.51 -0.31 -4.90 117.35 116.20 2jtr s TYR 66 Ca 0.00 1.56 0.00 0.00 -1.01 0.00 0.00 57.07 57.62 2jtr s TYR 66 Cb 0.00 -3.09 0.00 0.00 -0.11 0.00 0.00 41.96 38.76 2jtr s TYR 66 CO 0.00 -1.03 0.48 0.25 -1.11 0.00 0.00 175.55 174.14 2jtr n THR 67 N -1.29 0.04 -2.59 -0.71 -2.24 -1.26 -4.32 114.28 101.91 2jtr n THR 67 Ca 0.10 -0.04 -0.05 0.00 -2.27 0.00 0.00 64.05 61.78 2jtr n THR 67 Cb 0.52 1.06 0.05 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.02 1.46 -4.57 4.78 8.25 -1.26 -5.07 115.22 118.79 2jtr n HIS 68 Ca 0.00 -2.00 -0.34 0.00 -0.26 0.00 0.00 57.72 55.12 2jtr n HIS 68 Cb 0.47 -0.25 -0.11 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 -3.66 3.78 -0.06 1.59 1.01 -1.26 -0.80 120.40 121.00 2jtr s VAL 69 Ca 0.33 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 2jtr s VAL 69 Cb 0.35 -2.57 0.02 0.00 0.00 0.00 0.00 36.38 34.18 2jtr s VAL 69 CO -0.03 0.58 0.28 -0.70 0.00 0.00 0.00 175.10 175.23 2jtr s GLU 70 N -0.61 0.49 -0.58 2.72 2.56 -0.90 -4.97 118.70 117.41 2jtr s GLU 70 Ca 0.09 0.06 -0.28 0.00 0.00 0.00 0.00 54.97 54.85 2jtr s GLU 70 Cb -0.12 0.22 0.03 0.00 2.00 0.00 0.00 34.13 36.26 2jtr s GLU 70 CO 0.02 -0.11 1.21 1.21 -0.56 0.00 0.00 175.26 177.03 2jtr s ASN 71 N -0.63 6.43 0.40 -1.70 3.04 -1.26 -1.77 114.94 119.45 2jtr s ASN 71 Ca -0.07 0.12 0.17 0.00 0.04 0.00 0.00 52.86 53.11 2jtr s ASN 71 Cb -0.04 -2.55 0.85 0.00 -1.54 0.00 0.00 41.25 37.97 2jtr s ASN 71 CO 0.02 -1.50 1.85 0.00 -3.04 0.00 0.00 177.10 174.44 2jtr h ALA 72 N 9.64 1.28 0.00 1.71 0.00 -1.63 -3.48 119.26 126.79 2jtr h ALA 72 Ca -0.25 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jtr h ALA 72 Cb 1.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2jtr h ALA 72 CO 1.19 0.40 0.00 0.41 0.00 0.00 0.00 179.25 181.25 2jtr n GLY 73 N -0.36 -0.12 3.18 0.00 0.00 -1.26 -4.92 105.19 101.71 2jtr n GLY 73 Ca -0.02 -0.88 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 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 1.12 0.22 -0.02 0.00 -1.26 -4.01 107.32 103.37 2jtr s GLY 74 Ca 0.00 -1.54 -0.09 0.00 0.00 0.00 0.00 44.72 43.10 2jtr s GLY 74 CO 0.00 -1.42 1.68 -2.00 0.00 0.00 0.00 173.10 171.36 2jtr h LEU 75 N 2.78 -0.12 0.00 0.66 7.12 -0.37 0.32 115.31 125.70 2jtr h LEU 75 Ca -0.36 0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.80 2jtr h LEU 75 Cb 1.21 0.22 0.00 0.00 -0.53 0.00 0.00 40.66 41.56 2jtr h LEU 75 CO 0.60 -0.06 0.00 0.29 -0.13 0.00 0.00 178.44 179.13 2jtr n LYS 76 N -5.21 0.46 0.00 1.25 4.76 -1.22 -3.60 118.16 114.60 2jtr n LYS 76 Ca 0.11 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.59 2jtr n LYS 76 Cb 0.39 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.08 2jtr n LYS 76 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jtr n ASP 77 N -1.11 2.55 -4.75 4.39 2.03 -0.22 -5.05 116.55 114.40 2jtr n ASP 77 Ca 0.12 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.01 2jtr n ASP 77 Cb 0.09 0.24 -0.02 0.00 -0.72 0.00 0.00 41.12 40.72 2jtr n ASP 77 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2jtr n ILE 78 N -1.31 0.91 0.49 5.18 5.41 -0.07 -4.92 119.36 125.04 2jtr n ILE 78 Ca 0.00 -0.23 0.13 0.00 1.00 0.00 0.00 62.75 63.65 2jtr n ILE 78 Cb 0.26 -1.99 0.32 0.00 -0.71 0.00 0.00 39.64 37.52 2jtr n ILE 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jtr h ALA 79 N 5.04 0.98 -2.36 -1.39 0.00 -1.91 -3.47 119.26 116.15 2jtr h ALA 79 Ca -0.47 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 53.92 2jtr h ALA 79 Cb 1.22 0.00 0.17 0.00 0.00 0.00 0.00 17.79 19.18 2jtr h ALA 79 CO 0.81 0.00 0.28 -1.64 0.00 0.00 0.00 179.25 178.71 2jtr s MET 80 N -3.14 1.61 0.96 0.00 -1.94 -1.26 -5.01 119.30 110.52 2jtr s MET 80 Ca 0.09 1.48 -0.12 0.00 -1.71 0.00 0.00 55.69 55.43 2jtr s MET 80 Cb 0.10 -1.80 0.10 0.00 2.01 0.00 0.00 34.83 35.24 2jtr s MET 80 CO 0.63 -2.18 0.72 -2.30 -0.01 0.00 0.00 175.02 171.88 2jtr n PRO 81 N -3.72 -0.58 -4.38 2.03 -0.02 -1.26 -4.89 135.00 122.18 2jtr n PRO 81 Ca 0.11 -0.12 -0.19 0.00 -2.02 0.00 0.00 63.50 61.28 2jtr n PRO 81 Cb 0.52 -2.08 -0.10 0.00 -0.02 0.00 0.00 33.50 31.82 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 -4.08 1.43 0.11 -0.52 3.01 -1.26 -1.29 119.74 117.14 2jtr s LYS 82 Ca 0.62 -1.70 0.04 0.00 -1.01 0.00 0.00 55.97 53.92 2jtr s LYS 82 Cb -0.22 -0.99 -0.04 0.00 -1.01 0.00 0.00 37.83 35.57 2jtr s LYS 82 CO 0.63 0.04 -0.11 0.14 0.51 0.00 0.00 175.35 176.56 2jtr s VAL 83 N -3.12 1.08 0.19 3.17 -7.23 -0.20 -4.68 120.40 109.61 2jtr s VAL 83 Ca 0.27 -1.68 -0.02 0.00 -1.81 0.00 0.00 61.98 58.74 2jtr s VAL 83 Cb 0.03 -1.43 -0.04 0.00 0.56 0.00 0.00 36.38 35.50 2jtr s VAL 83 CO 0.10 -0.52 0.14 -0.54 -0.31 0.00 0.00 175.10 173.96 2jtr s LYS 84 N -2.79 1.16 0.00 4.82 1.02 -1.26 -1.57 119.74 121.12 2jtr s LYS 84 Ca 0.07 -1.55 0.00 0.00 0.02 0.00 0.00 55.97 54.51 2jtr s LYS 84 Cb -0.03 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.56 2jtr s LYS 84 CO 0.01 -0.38 0.00 0.41 -0.92 0.00 0.00 175.35 174.47