#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 1.18 -0.08 0.00 1.03 -1.26 -0.94 118.70 118.64 2jtr s GLU 2 Ca 0.00 -0.69 -0.03 0.00 0.03 0.00 0.00 54.97 54.27 2jtr s GLU 2 Cb 0.00 0.51 0.04 0.00 -0.80 0.00 0.00 34.13 33.88 2jtr s GLU 2 CO 0.00 -0.48 0.17 -1.01 -1.33 0.00 0.00 175.26 172.61 2jtr s HIS 3 N -3.81 -0.20 -0.18 4.83 3.76 -1.01 -4.90 115.29 113.77 2jtr s HIS 3 Ca 0.04 0.56 -0.29 0.00 -0.15 0.00 0.00 55.06 55.22 2jtr s HIS 3 Cb 0.01 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.60 2jtr s HIS 3 CO -0.10 -0.19 1.47 -1.58 -0.85 0.00 0.00 174.74 173.49 2jtr s TRP 4 N 1.28 2.38 -0.26 1.40 0.52 -1.26 -1.81 118.94 121.19 2jtr s TRP 4 Ca -0.08 0.65 -0.01 0.00 0.02 0.00 0.00 56.10 56.68 2jtr s TRP 4 Cb -0.11 -3.82 0.08 0.00 -1.15 0.00 0.00 33.47 28.46 2jtr s TRP 4 CO -0.07 -2.59 0.03 0.42 0.02 0.00 0.00 176.95 174.77 2jtr s ILE 5 N 4.32 1.02 0.54 2.03 1.01 -0.58 -1.97 121.20 127.58 2jtr s ILE 5 Ca 0.65 -1.14 -0.20 0.00 0.00 0.00 0.00 60.65 59.95 2jtr s ILE 5 Cb -0.24 -1.56 -0.06 0.00 0.01 0.00 0.00 42.46 40.61 2jtr s ILE 5 CO 0.24 -0.37 1.16 -0.62 0.00 0.00 0.00 174.94 175.35 2jtr s ASP 6 N 1.59 5.66 -0.01 3.58 2.15 0.22 -1.58 116.67 128.27 2jtr s ASP 6 Ca 0.02 2.27 0.02 0.00 0.43 0.00 0.00 52.55 55.29 2jtr s ASP 6 Cb -0.18 -2.59 0.03 0.00 -0.30 0.00 0.00 42.92 39.88 2jtr s ASP 6 CO -0.14 -1.27 0.78 1.33 -0.17 0.00 0.00 175.17 175.71 2jtr n VAL 7 N -1.22 0.41 -1.06 1.11 0.24 -0.42 -0.90 118.33 116.50 2jtr n VAL 7 Ca 0.11 -0.45 -0.34 0.00 -2.04 0.00 0.00 64.34 61.62 2jtr n VAL 7 Cb 0.50 0.66 0.10 0.00 -1.47 0.00 0.00 33.84 33.63 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 -0.26 0.07 -1.65 7.34 1.74 -1.26 -1.65 116.66 121.00 2jtr n ARG 8 Ca 0.02 0.08 -0.38 0.00 -0.77 0.00 0.00 57.85 56.80 2jtr n ARG 8 Cb 0.50 -1.99 0.05 0.00 -1.02 0.00 0.00 32.46 30.00 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 -3.02 3.91 -0.03 1.55 0.24 -1.26 -4.10 118.33 115.62 2jtr n VAL 9 Ca 0.10 -0.50 0.04 0.00 -2.04 0.00 0.00 64.34 61.94 2jtr n VAL 9 Cb 0.51 -1.25 0.41 0.00 -1.47 0.00 0.00 33.84 32.04 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 0.59 0.58 0.00 7.34 0.13 -1.97 -0.39 132.00 138.29 2jtr h PRO 10 Ca -0.49 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.50 2jtr h PRO 10 Cb 1.35 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2jtr h PRO 10 CO 0.52 0.39 -0.48 0.93 -0.23 0.00 0.00 178.00 179.12 2jtr h GLU 11 N 0.60 0.00 0.10 0.86 5.08 -1.98 -2.31 114.58 116.93 2jtr h GLU 11 Ca 0.17 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.25 2jtr h GLU 11 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2jtr h GLU 11 CO -0.04 0.48 -1.36 1.96 -1.00 0.00 0.00 179.01 179.05 2jtr h GLN 12 N 0.00 0.22 -0.33 2.33 1.08 -1.46 -3.25 115.11 113.70 2jtr h GLN 12 Ca -0.00 -0.37 0.05 0.00 -1.45 0.00 0.00 58.65 56.88 2jtr h GLN 12 Cb 1.03 0.14 -0.05 0.00 -0.05 0.00 0.00 27.48 28.55 2jtr h GLN 12 CO 0.06 1.11 0.02 -0.92 -0.95 0.00 0.00 178.83 178.16 2jtr h TYR 13 N 0.06 0.03 0.00 2.96 3.20 -1.19 -2.91 116.97 119.12 2jtr h TYR 13 Ca -0.17 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.72 2jtr h TYR 13 Cb 1.97 0.04 0.00 0.00 1.54 0.00 0.00 36.73 40.28 2jtr h TYR 13 CO 0.05 -0.03 0.00 1.04 -1.64 0.00 0.00 178.16 177.58 2jtr n GLN 14 N -5.14 0.49 0.08 1.82 6.02 -0.87 -3.15 117.38 116.63 2jtr n GLN 14 Ca 0.01 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 56.95 2jtr n GLN 14 Cb 0.16 -1.37 -0.02 0.00 1.02 0.00 0.00 30.24 30.03 2jtr n GLN 14 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 2jtr h GLN 15 N 0.00 -0.29 -1.72 -1.09 4.20 -1.60 -3.28 115.11 111.34 2jtr h GLN 15 Ca 0.00 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.76 2jtr h GLN 15 Cb 0.00 0.07 -0.22 0.00 0.30 0.00 0.00 27.48 27.63 2jtr h GLN 15 CO 0.00 -0.19 0.41 -1.83 -0.67 0.00 0.00 178.83 176.55 2jtr s GLU 16 N -2.51 0.75 0.20 1.46 -1.05 -1.19 -1.40 118.70 114.97 2jtr s GLU 16 Ca -0.04 0.23 -0.12 0.00 -0.15 0.00 0.00 54.97 54.88 2jtr s GLU 16 Cb 0.00 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 2jtr s GLU 16 CO 0.13 -0.23 0.41 -3.38 0.95 0.00 0.00 175.26 173.15 2jtr s HIS 17 N -1.03 0.26 0.33 4.83 -3.43 -0.52 -4.85 115.29 110.88 2jtr s HIS 17 Ca -0.05 -0.62 -0.29 0.00 -0.80 0.00 0.00 55.06 53.30 2jtr s HIS 17 Cb -0.01 0.14 -0.11 0.00 -1.43 0.00 0.00 32.58 31.17 2jtr s HIS 17 CO 0.04 -0.86 1.56 0.08 -2.00 0.00 0.00 174.74 173.56 2jtr s VAL 18 N -3.96 2.00 0.27 -5.38 1.01 -1.26 -1.07 120.40 112.01 2jtr s VAL 18 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.85 2jtr s VAL 18 Cb 0.01 -3.00 -0.12 0.00 0.00 0.00 0.00 36.38 33.26 2jtr s VAL 18 CO 0.03 0.00 1.52 1.67 0.00 0.00 0.00 175.10 178.32 2jtr n GLN 19 N 1.43 2.45 -0.85 2.72 -0.06 -0.43 -2.40 117.38 120.24 2jtr n GLN 19 Ca 0.05 0.87 0.00 0.00 -2.00 0.00 0.00 57.00 55.92 2jtr n GLN 19 Cb 0.38 -2.60 0.00 0.00 -4.06 0.00 0.00 30.24 23.96 2jtr n GLN 19 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jtr n GLY 20 N 2.16 0.50 3.29 1.69 0.00 -1.26 -4.99 105.19 106.57 2jtr n GLY 20 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 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 1.00 -2.22 -2.40 4.61 0.00 -1.01 -4.89 120.51 115.60 2jtr n ALA 21 Ca 0.00 -1.50 -0.20 0.00 0.00 0.00 0.00 53.44 51.74 2jtr n ALA 21 Cb 0.06 -0.09 -0.10 0.00 0.00 0.00 0.00 19.45 19.32 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 -3.18 0.84 -0.01 0.00 2.07 -0.83 -5.03 121.20 115.05 2jtr s ILE 22 Ca 0.65 -2.00 0.03 0.00 -1.41 0.00 0.00 60.65 57.92 2jtr s ILE 22 Cb -0.04 -2.67 -0.01 0.00 0.13 0.00 0.00 42.46 39.87 2jtr s ILE 22 CO 0.48 0.00 -0.10 0.21 -1.91 0.00 0.00 174.94 173.62 2jtr s ASN 23 N -3.43 1.14 -0.41 4.50 2.47 -1.26 -0.61 114.94 117.33 2jtr s ASN 23 Ca 0.35 -0.18 0.04 0.00 0.42 0.00 0.00 52.86 53.50 2jtr s ASN 23 Cb 0.07 -0.14 0.17 0.00 -1.45 0.00 0.00 41.25 39.90 2jtr s ASN 23 CO 0.15 0.11 0.36 -0.63 -3.72 0.00 0.00 177.10 173.37 2jtr s ILE 24 N -0.20 0.13 0.44 -5.21 1.01 -0.07 -4.94 121.20 112.36 2jtr s ILE 24 Ca 0.03 -2.25 -0.24 0.00 0.00 0.00 0.00 60.65 58.19 2jtr s ILE 24 Cb -0.04 -1.08 -0.10 0.00 0.01 0.00 0.00 42.46 41.26 2jtr s ILE 24 CO -0.00 -1.05 1.09 -2.65 0.00 0.00 0.00 174.94 172.33 2jtr n PRO 25 N 3.12 1.49 -0.03 2.79 -0.02 -1.26 -4.29 135.00 136.81 2jtr n PRO 25 Ca 0.25 0.54 0.21 0.00 -2.02 0.00 0.00 63.50 62.48 2jtr n PRO 25 Cb 0.47 -2.16 0.69 0.00 -0.02 0.00 0.00 33.50 32.48 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 1.62 0.00 -0.43 2.45 5.85 -1.50 0.22 115.31 123.53 2jtr h LEU 26 Ca -0.46 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.26 2jtr h LEU 26 Cb 1.33 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2jtr h LEU 26 CO 0.57 0.00 0.00 0.29 -0.34 0.00 0.00 178.44 178.96 2jtr n LYS 27 N -4.36 0.18 0.00 1.25 5.02 -1.26 -4.00 118.16 114.99 2jtr n LYS 27 Ca 0.11 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 2jtr n LYS 27 Cb 0.66 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 2jtr n LYS 27 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jtr n GLU 28 N -2.13 3.27 -0.34 1.97 -0.58 0.21 -4.89 120.64 118.15 2jtr n GLU 28 Ca 0.03 0.00 0.13 0.00 -0.42 0.00 0.00 57.16 56.90 2jtr n GLU 28 Cb 0.27 -0.51 0.33 0.00 -0.57 0.00 0.00 31.44 30.97 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 0.73 0.00 2.62 3.04 -0.82 -0.91 116.25 120.91 2jtr h VAL 29 Ca 0.00 -0.26 -0.00 0.00 -1.01 0.00 0.00 66.70 65.43 2jtr h VAL 29 Cb 0.00 -0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 29.18 2jtr h VAL 29 CO 0.00 0.14 -0.00 0.11 -1.01 0.00 0.00 177.57 176.81 2jtr h LYS 30 N 0.77 0.00 -0.22 4.17 1.57 -1.86 0.69 116.57 121.69 2jtr h LYS 30 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 2jtr h LYS 30 Cb 0.87 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2jtr h LYS 30 CO -0.35 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 178.93 2jtr n GLU 31 N -3.17 2.17 0.00 3.15 -0.58 -0.36 -4.75 120.64 117.10 2jtr n GLU 31 Ca -0.03 -1.73 0.00 0.00 -0.42 0.00 0.00 57.16 54.98 2jtr n GLU 31 Cb 0.09 -1.22 0.00 0.00 -0.57 0.00 0.00 31.44 29.74 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 0.44 0.46 -0.19 3.49 0.63 -0.42 -4.80 116.66 116.27 2jtr n ARG 32 Ca 0.09 0.00 -0.05 0.00 -0.92 0.00 0.00 57.85 56.96 2jtr n ARG 32 Cb 0.36 -0.56 0.11 0.00 0.45 0.00 0.00 32.46 32.82 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 1.25 -0.83 5.15 6.09 -1.20 -1.43 117.51 126.54 2jtr h ILE 33 Ca 0.00 -0.94 -0.02 0.00 -1.37 0.00 0.00 64.86 62.53 2jtr h ILE 33 Cb 0.12 0.64 -0.04 0.00 0.47 0.00 0.00 36.82 38.01 2jtr h ILE 33 CO 0.00 0.35 0.44 0.00 -3.07 0.00 0.00 178.15 175.87 2jtr h ALA 34 N 1.19 1.22 0.03 0.18 0.00 -1.80 0.92 119.26 121.00 2jtr h ALA 34 Ca 0.20 -0.13 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 2jtr h ALA 34 Cb 0.37 -0.33 0.02 0.00 0.00 0.00 0.00 17.79 17.84 2jtr h ALA 34 CO 0.00 0.62 -1.06 1.79 0.00 0.00 0.00 179.25 180.60 2jtr h THR 35 N 1.16 1.32 -0.23 0.00 1.35 -1.83 -2.92 112.91 111.77 2jtr h THR 35 Ca 0.29 -2.38 -0.17 0.00 -0.55 0.00 0.00 66.41 63.60 2jtr h THR 35 Cb 0.05 2.48 -0.00 0.00 -1.73 0.00 0.00 68.15 68.94 2jtr h THR 35 CO -0.04 0.72 -0.54 0.00 -0.25 0.00 0.00 175.52 175.41 2jtr h ALA 36 N 0.49 0.62 -2.30 6.62 0.00 -0.91 -3.39 119.26 120.38 2jtr h ALA 36 Ca -0.13 -0.51 -0.58 0.00 0.00 0.00 0.00 54.91 53.69 2jtr h ALA 36 Cb 1.72 -0.08 -0.38 0.00 0.00 0.00 0.00 17.79 19.05 2jtr h ALA 36 CO 0.20 0.69 -0.98 0.28 0.00 0.00 0.00 179.25 179.44 2jtr n VAL 37 N -3.98 -1.16 -0.15 0.00 0.31 0.29 -4.99 118.33 108.65 2jtr n VAL 37 Ca -0.03 -3.41 0.04 0.00 -0.01 0.00 0.00 64.34 60.93 2jtr n VAL 37 Cb 0.61 -1.61 0.34 0.00 -0.91 0.00 0.00 33.84 32.27 2jtr n VAL 37 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 2jtr h PRO 38 N 5.49 0.76 -6.09 5.55 0.11 -1.71 -3.41 132.00 132.69 2jtr h PRO 38 Ca 0.25 -0.05 -0.59 0.00 0.11 0.00 0.00 66.00 65.73 2jtr h PRO 38 Cb 0.91 -0.17 -0.10 0.00 0.11 0.00 0.00 31.00 31.75 2jtr h PRO 38 CO 0.37 0.50 0.76 0.34 -0.21 0.00 0.00 178.00 179.76 2jtr s ASP 39 N -6.36 6.33 0.27 -2.05 2.15 -1.26 -4.91 116.67 110.84 2jtr s ASP 39 Ca -0.10 -0.31 0.22 0.00 0.43 0.00 0.00 52.55 52.79 2jtr s ASP 39 Cb 0.18 -2.49 1.03 0.00 -0.30 0.00 0.00 42.92 41.34 2jtr s ASP 39 CO 0.76 -1.42 1.66 0.29 -0.17 0.00 0.00 175.17 176.30 2jtr n LYS 40 N 8.05 0.16 0.10 4.34 5.02 -1.26 -1.56 118.16 133.01 2jtr n LYS 40 Ca 0.03 0.52 0.13 0.00 -2.02 0.00 0.00 58.31 56.97 2jtr n LYS 40 Cb 0.48 -1.89 0.44 0.00 -0.02 0.00 0.00 35.03 34.04 2jtr n LYS 40 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2jtr n ASN 41 N -2.21 0.68 -4.76 4.39 4.05 -1.26 -3.50 115.26 112.65 2jtr n ASN 41 Ca 0.00 0.59 -0.39 0.00 0.45 0.00 0.00 54.58 55.23 2jtr n ASN 41 Cb 0.13 -0.76 0.01 0.00 1.23 0.00 0.00 39.78 40.39 2jtr n ASN 41 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2jtr s ASP 42 N -4.27 5.95 -0.79 1.20 2.15 -0.60 -4.83 116.67 115.49 2jtr s ASP 42 Ca 0.09 2.72 -0.25 0.00 0.43 0.00 0.00 52.55 55.54 2jtr s ASP 42 Cb 0.12 -2.64 0.05 0.00 -0.30 0.00 0.00 42.92 40.15 2jtr s ASP 42 CO 0.53 -1.10 1.25 -0.89 -0.17 0.00 0.00 175.17 174.79 2jtr s THR 43 N -1.28 3.92 -0.83 1.71 2.01 -0.11 -4.55 115.64 116.51 2jtr s THR 43 Ca 0.62 -0.06 -0.25 0.00 0.31 0.00 0.00 61.69 62.31 2jtr s THR 43 Cb -0.39 -4.90 0.01 0.00 0.01 0.00 0.00 72.50 67.23 2jtr s THR 43 CO 0.49 -1.78 1.62 -0.69 -0.69 0.00 0.00 174.62 173.57 2jtr s VAL 44 N 5.13 3.63 -1.30 3.82 1.01 -0.81 -2.41 120.40 129.48 2jtr s VAL 44 Ca 0.35 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 61.98 2jtr s VAL 44 Cb -0.08 -4.53 0.05 0.00 0.00 0.00 0.00 36.38 31.83 2jtr s VAL 44 CO 0.08 -1.46 1.78 0.29 0.00 0.00 0.00 175.10 175.80 2jtr n LYS 45 N 9.07 3.03 -2.54 2.72 4.76 -0.75 -1.45 118.16 133.00 2jtr n LYS 45 Ca 0.24 -3.17 -0.40 0.00 -2.87 0.00 0.00 58.31 52.11 2jtr n LYS 45 Cb 0.50 -3.51 -0.05 0.00 -1.84 0.00 0.00 35.03 30.14 2jtr n LYS 45 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2jtr s VAL 46 N 4.78 3.67 0.17 -0.18 -7.23 -0.61 -1.53 120.40 119.47 2jtr s VAL 46 Ca 0.55 1.64 -0.09 0.00 -1.81 0.00 0.00 61.98 62.26 2jtr s VAL 46 Cb 0.04 -4.04 -0.01 0.00 0.56 0.00 0.00 36.38 32.93 2jtr s VAL 46 CO 0.08 0.37 0.30 -0.72 -0.31 0.00 0.00 175.10 174.82 2jtr s TYR 47 N -1.00 0.40 0.00 2.82 1.13 -0.62 -1.20 117.35 118.87 2jtr s TYR 47 Ca 0.45 -0.76 0.00 0.00 -1.41 0.00 0.00 57.07 55.35 2jtr s TYR 47 Cb -0.30 -0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 2jtr s TYR 47 CO 0.38 -0.74 0.00 0.00 -2.51 0.00 0.00 175.55 172.68 2jtr s ASN 49 N 1.86 7.21 -0.57 0.00 3.84 -1.26 -1.65 114.94 124.37 2jtr s ASN 49 Ca 0.00 1.77 0.00 0.00 0.21 0.00 0.00 52.86 54.84 2jtr s ASN 49 Cb 0.00 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 2jtr s ASN 49 CO 0.00 -0.41 0.00 0.00 -2.79 0.00 0.00 177.10 173.90 2jtr n ALA 50 N 4.34 -0.08 -0.85 1.71 0.00 -1.26 -2.96 120.51 121.40 2jtr n ALA 50 Ca 0.08 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2jtr n ALA 50 Cb 0.48 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 0.31 0.41 0.20 0.00 0.00 -1.26 -4.90 105.19 99.97 2jtr n GLY 51 Ca -0.05 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.78 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 1.13 0.72 -0.03 1.61 3.08 -1.88 0.10 114.38 119.11 2jtr h ARG 52 Ca 0.00 -0.70 -0.08 0.00 0.07 0.00 0.00 59.98 59.27 2jtr h ARG 52 Cb 0.19 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2jtr h ARG 52 CO 0.00 1.29 -0.38 1.96 -1.07 0.00 0.00 179.97 181.77 2jtr h GLN 53 N 0.44 0.06 -0.07 0.04 7.50 -1.90 -1.77 115.11 119.41 2jtr h GLN 53 Ca -0.10 -0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.00 2jtr h GLN 53 Cb 1.59 -0.00 -0.00 0.00 0.05 0.00 0.00 27.48 29.11 2jtr h GLN 53 CO 0.19 0.43 -0.05 0.77 -1.50 0.00 0.00 178.83 178.67 2jtr h SER 54 N 0.05 0.16 -0.54 1.46 0.02 -1.78 0.84 113.55 113.76 2jtr h SER 54 Ca 0.00 -0.45 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 2jtr h SER 54 Cb 0.70 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 2jtr h SER 54 CO 0.05 0.58 0.24 1.23 -1.14 0.00 0.00 176.83 177.80 2jtr h GLY 55 N -0.25 0.84 0.80 -3.77 0.00 -0.97 0.79 103.07 100.50 2jtr h GLY 55 Ca 0.01 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 46.94 2jtr h GLY 55 CO 0.01 0.41 0.12 1.46 0.00 0.00 0.00 176.54 178.55 2jtr h GLN 56 N 0.73 0.26 -0.53 4.80 4.20 -1.31 -2.78 115.11 120.48 2jtr h GLN 56 Ca 0.18 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 2jtr h GLN 56 Cb 0.15 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2jtr h GLN 56 CO -0.02 0.17 -0.04 0.00 -0.67 0.00 0.00 178.83 178.27 2jtr h ALA 57 N 1.17 0.93 -0.70 3.87 0.00 -0.50 -3.12 119.26 120.92 2jtr h ALA 57 Ca 0.13 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 54.80 2jtr h ALA 57 Cb 0.08 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2jtr h ALA 57 CO -0.12 0.63 0.46 -0.22 0.00 0.00 0.00 179.25 180.01 2jtr h LYS 58 N 0.85 0.69 0.46 0.00 3.64 -0.56 0.09 116.57 121.74 2jtr h LYS 58 Ca 0.15 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2jtr h LYS 58 Cb 0.56 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2jtr h LYS 58 CO 0.03 0.46 -0.22 0.93 -2.27 0.00 0.00 179.45 178.38 2jtr h GLU 59 N 0.71 -0.60 -0.21 1.90 5.08 -1.47 -0.61 114.58 119.39 2jtr h GLU 59 Ca 0.30 0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.58 2jtr h GLU 59 Cb 0.28 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2jtr h GLU 59 CO -0.10 -0.35 -0.38 -0.84 -1.00 0.00 0.00 179.01 176.34 2jtr h ILE 60 N -0.72 1.30 -0.29 3.13 3.07 -1.55 -1.85 117.51 120.59 2jtr h ILE 60 Ca -0.06 -1.50 -0.14 0.00 1.55 0.00 0.00 64.86 64.71 2jtr h ILE 60 Cb 0.53 1.55 -0.01 0.00 -0.27 0.00 0.00 36.82 38.61 2jtr h ILE 60 CO 0.10 0.47 -0.38 -0.07 -1.05 0.00 0.00 178.15 177.23 2jtr h LEU 61 N 0.39 0.72 -0.74 0.16 3.38 -0.95 0.68 115.31 118.94 2jtr h LEU 61 Ca 0.04 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2jtr h LEU 61 Cb 0.84 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2jtr h LEU 61 CO 0.07 1.02 0.21 0.28 0.09 0.00 0.00 178.44 180.11 2jtr h SER 62 N 0.56 1.09 -0.70 -0.43 0.02 -0.90 -0.59 113.55 112.61 2jtr h SER 62 Ca 0.05 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.71 2jtr h SER 62 Cb 0.90 -0.29 -0.03 0.00 0.14 0.00 0.00 62.40 63.12 2jtr h SER 62 CO 0.08 1.02 0.16 -0.08 -1.14 0.00 0.00 176.83 176.87 2jtr h GLU 63 N 1.11 1.13 0.00 3.45 4.81 -0.93 -1.90 114.58 122.25 2jtr h GLU 63 Ca 0.23 -0.28 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2jtr h GLU 63 Cb 0.34 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.57 2jtr h GLU 63 CO -0.00 1.00 0.00 0.52 -0.73 0.00 0.00 179.01 179.80 2jtr h MET 64 N 1.07 0.00 0.00 1.92 2.86 -0.57 -3.47 114.93 116.74 2jtr h MET 64 Ca 0.22 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2jtr h MET 64 Cb 0.39 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.05 2jtr h MET 64 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 2jtr n GLY 65 N -0.24 1.14 3.58 8.32 0.00 -0.51 -5.06 105.19 112.42 2jtr n GLY 65 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 2.09 -2.21 1.61 1.51 -0.34 -4.87 117.35 113.14 2jtr s TYR 66 Ca 0.00 0.60 0.22 0.00 -1.01 0.00 0.00 57.07 56.88 2jtr s TYR 66 Cb 0.00 -4.27 1.00 0.00 -0.11 0.00 0.00 41.96 38.58 2jtr s TYR 66 CO 0.00 -2.24 1.68 0.25 -1.11 0.00 0.00 175.55 174.13 2jtr n THR 67 N 7.08 0.10 -2.46 -0.71 -2.24 -1.23 -4.10 114.28 110.73 2jtr n THR 67 Ca 0.17 -0.20 0.03 0.00 -2.27 0.00 0.00 64.05 61.78 2jtr n THR 67 Cb 0.49 0.12 0.04 0.00 -2.10 0.00 0.00 70.33 68.88 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 -0.14 0.21 -2.48 4.78 8.25 -1.26 -5.05 115.22 119.53 2jtr n HIS 68 Ca 0.17 -0.83 -0.42 0.00 -0.26 0.00 0.00 57.72 56.38 2jtr n HIS 68 Cb 0.24 -0.17 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 -0.86 4.16 -0.05 1.59 1.01 -1.26 -1.91 120.40 123.07 2jtr s VAL 69 Ca 0.34 1.57 -0.02 0.00 0.00 0.00 0.00 61.98 63.87 2jtr s VAL 69 Cb 0.38 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.79 2jtr s VAL 69 CO -0.14 0.14 0.11 -0.70 0.00 0.00 0.00 175.10 174.50 2jtr s GLU 70 N 0.92 0.04 -0.38 2.72 2.12 -0.53 -4.94 118.70 118.66 2jtr s GLU 70 Ca 0.57 0.33 -0.29 0.00 0.36 0.00 0.00 54.97 55.94 2jtr s GLU 70 Cb -0.28 -0.22 0.01 0.00 0.26 0.00 0.00 34.13 33.90 2jtr s GLU 70 CO 0.30 -0.18 1.39 1.21 -0.54 0.00 0.00 175.26 177.43 2jtr s ASN 71 N 1.23 6.42 0.38 -1.70 3.04 -1.26 -1.57 114.94 121.48 2jtr s ASN 71 Ca -0.08 0.94 0.11 0.00 0.04 0.00 0.00 52.86 53.87 2jtr s ASN 71 Cb -0.12 -2.54 0.76 0.00 -1.54 0.00 0.00 41.25 37.81 2jtr s ASN 71 CO -0.05 -1.34 1.87 0.00 -3.04 0.00 0.00 177.10 174.54 2jtr h ALA 72 N 10.33 1.44 0.00 1.71 0.00 -1.44 -3.48 119.26 127.83 2jtr h ALA 72 Ca -0.27 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.36 2jtr h ALA 72 Cb 1.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2jtr h ALA 72 CO 1.07 0.40 0.00 0.41 0.00 0.00 0.00 179.25 181.14 2jtr n GLY 73 N -0.64 0.14 3.62 0.00 0.00 -1.26 -4.85 105.19 102.20 2jtr n GLY 73 Ca -0.02 -1.29 -0.25 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 2.13 0.23 -0.02 0.00 -1.26 -3.93 107.32 104.47 2jtr s GLY 74 Ca 0.00 -2.01 -0.13 0.00 0.00 0.00 0.00 44.72 42.58 2jtr s GLY 74 CO 0.00 -1.93 1.60 -2.00 0.00 0.00 0.00 173.10 170.77 2jtr h LEU 75 N 1.81 -0.73 -0.01 0.66 5.85 -1.69 -0.66 115.31 120.54 2jtr h LEU 75 Ca -0.43 0.22 -0.26 0.00 0.84 0.00 0.00 57.88 58.26 2jtr h LEU 75 Cb 1.25 0.47 0.01 0.00 0.37 0.00 0.00 40.66 42.76 2jtr h LEU 75 CO 0.68 -0.25 -1.11 0.50 -0.34 0.00 0.00 178.44 177.92 2jtr h LYS 76 N -0.01 0.44 -0.22 1.25 3.64 -1.97 -3.33 116.57 116.36 2jtr h LYS 76 Ca 0.35 -0.56 -0.15 0.00 -1.27 0.00 0.00 60.65 59.01 2jtr h LYS 76 Cb 0.54 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 2jtr h LYS 76 CO -0.76 1.22 -0.48 0.22 -2.27 0.00 0.00 179.45 177.37 2jtr h ASP 77 N 0.20 0.63 -2.70 4.20 3.58 -1.66 -3.43 116.42 117.24 2jtr h ASP 77 Ca -0.13 -0.31 -0.52 0.00 0.42 0.00 0.00 57.03 56.49 2jtr h ASP 77 Cb 1.78 -0.18 0.05 0.00 1.72 0.00 0.00 39.33 42.71 2jtr h ASP 77 CO 0.20 1.01 0.99 -0.63 -2.88 0.00 0.00 179.24 177.92 2jtr s ILE 78 N -4.11 2.31 -0.97 2.25 1.01 -0.37 -4.91 121.20 116.41 2jtr s ILE 78 Ca -0.08 0.17 0.29 0.00 0.00 0.00 0.00 60.65 61.03 2jtr s ILE 78 Cb 0.12 -3.11 0.24 0.00 0.01 0.00 0.00 42.46 39.72 2jtr s ILE 78 CO 0.84 0.01 1.90 0.00 0.00 0.00 0.00 174.94 177.68 2jtr n ALA 79 N 4.27 2.36 -1.32 9.38 0.00 -1.26 -4.89 120.51 129.04 2jtr n ALA 79 Ca 0.16 -0.10 -0.34 0.00 0.00 0.00 0.00 53.44 53.15 2jtr n ALA 79 Cb 0.37 -1.46 0.10 0.00 0.00 0.00 0.00 19.45 18.46 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 -3.01 2.00 0.81 0.00 -1.94 -1.26 -5.02 119.30 110.88 2jtr s MET 80 Ca 0.13 1.81 -0.11 0.00 -1.71 0.00 0.00 55.69 55.82 2jtr s MET 80 Cb 0.18 -1.81 0.08 0.00 2.01 0.00 0.00 34.83 35.29 2jtr s MET 80 CO 0.54 -1.95 1.10 -1.25 -0.01 0.00 0.00 175.02 173.44 2jtr s PRO 81 N -3.92 1.92 0.27 2.03 0.04 -1.26 -4.93 135.00 129.15 2jtr s PRO 81 Ca 0.75 1.14 0.04 0.00 0.04 0.00 0.00 61.00 62.97 2jtr s PRO 81 Cb -0.30 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.32 2jtr s PRO 81 CO 0.47 -1.87 0.01 0.15 0.04 0.00 0.00 177.00 175.80 2jtr s LYS 82 N -4.88 1.49 0.08 4.56 3.01 -1.26 -1.31 119.74 121.42 2jtr s LYS 82 Ca 0.62 -1.78 0.05 0.00 -1.01 0.00 0.00 55.97 53.85 2jtr s LYS 82 Cb -0.18 -0.78 -0.03 0.00 -1.01 0.00 0.00 37.83 35.83 2jtr s LYS 82 CO 0.56 -0.11 -0.13 0.14 0.51 0.00 0.00 175.35 176.32 2jtr s VAL 83 N -3.32 1.08 0.52 3.17 -7.23 -0.23 -4.71 120.40 109.68 2jtr s VAL 83 Ca 0.32 -1.38 -0.21 0.00 -1.81 0.00 0.00 61.98 58.90 2jtr s VAL 83 Cb 0.06 -1.13 -0.06 0.00 0.56 0.00 0.00 36.38 35.81 2jtr s VAL 83 CO 0.12 -0.30 1.18 -0.54 -0.31 0.00 0.00 175.10 175.25 2jtr s LYS 84 N -1.98 3.41 0.00 4.82 -0.14 -1.26 -1.44 119.74 123.15 2jtr s LYS 84 Ca -0.00 1.78 0.00 0.00 -1.36 0.00 0.00 55.97 56.38 2jtr s LYS 84 Cb -0.08 -2.17 0.00 0.00 -1.68 0.00 0.00 37.83 33.90 2jtr s LYS 84 CO 0.02 -0.84 0.00 0.41 -0.76 0.00 0.00 175.35 174.18