#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jtq s GLU 2 N 0.00 0.79 0.12 0.00 2.12 -1.26 -0.89 118.70 119.58 2jtq s GLU 2 Ca 0.00 0.23 -0.07 0.00 0.36 0.00 0.00 54.97 55.50 2jtq s GLU 2 Cb 0.00 0.37 -0.01 0.00 0.26 0.00 0.00 34.13 34.75 2jtq s GLU 2 CO 0.00 -0.20 0.18 -1.01 -0.54 0.00 0.00 175.26 173.68 2jtq s HIS 3 N -0.82 0.40 -0.13 5.30 3.76 -0.36 -4.88 115.29 118.56 2jtq s HIS 3 Ca -0.09 -0.81 0.01 0.00 -0.15 0.00 0.00 55.06 54.03 2jtq s HIS 3 Cb -0.03 -0.16 0.02 0.00 1.11 0.00 0.00 32.58 33.51 2jtq s HIS 3 CO 0.05 -0.58 -0.17 -1.58 -0.85 0.00 0.00 174.74 171.61 2jtq s TRP 4 N -3.94 2.21 -0.26 1.40 0.52 -1.26 -0.84 118.94 116.77 2jtq s TRP 4 Ca 0.13 -1.13 0.01 0.00 0.02 0.00 0.00 56.10 55.13 2jtq s TRP 4 Cb 0.05 -1.58 0.07 0.00 -1.15 0.00 0.00 33.47 30.86 2jtq s TRP 4 CO -0.05 -0.58 -0.03 0.42 0.02 0.00 0.00 176.95 176.74 2jtq s ILE 5 N 1.11 1.68 0.02 2.03 -1.09 -0.09 -1.10 121.20 123.76 2jtq s ILE 5 Ca -0.03 -1.50 -0.30 0.00 -2.23 0.00 0.00 60.65 56.59 2jtq s ILE 5 Cb -0.14 -2.01 -0.07 0.00 -1.58 0.00 0.00 42.46 38.66 2jtq s ILE 5 CO -0.05 -0.24 1.61 -0.62 -1.23 0.00 0.00 174.94 174.41 2jtq s ASP 6 N 1.29 6.67 0.00 3.58 2.15 0.13 -2.99 116.67 127.49 2jtq s ASP 6 Ca -0.02 2.34 0.18 0.00 0.43 0.00 0.00 52.55 55.48 2jtq s ASP 6 Cb -0.19 -2.55 0.25 0.00 -0.30 0.00 0.00 42.92 40.13 2jtq s ASP 6 CO -0.08 -0.87 1.17 1.33 -0.17 0.00 0.00 175.17 176.55 2jtq n VAL 7 N 4.96 0.31 -0.71 1.11 0.24 -0.04 -1.23 118.33 122.96 2jtq n VAL 7 Ca 0.16 -0.66 -0.30 0.00 -2.04 0.00 0.00 64.34 61.50 2jtq n VAL 7 Cb 0.42 1.10 0.19 0.00 -1.47 0.00 0.00 33.84 34.08 2jtq n VAL 7 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2jtq s ARG 8 N -1.33 0.44 0.47 7.34 3.52 -1.25 -1.78 118.95 126.36 2jtq s ARG 8 Ca 0.26 1.24 -0.24 0.00 -0.13 0.00 0.00 55.73 56.85 2jtq s ARG 8 Cb 0.16 -1.68 -0.08 0.00 -1.56 0.00 0.00 34.95 31.79 2jtq s ARG 8 CO 0.23 -2.93 1.34 1.33 -0.81 0.00 0.00 175.30 174.47 2jtq n VAL 9 N -4.41 3.02 0.25 7.11 0.24 -1.26 -4.19 118.33 119.08 2jtq n VAL 9 Ca 0.08 -0.50 0.14 0.00 -2.04 0.00 0.00 64.34 62.02 2jtq n VAL 9 Cb 0.53 -1.68 0.54 0.00 -1.47 0.00 0.00 33.84 31.76 2jtq n VAL 9 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2jtq h PRO 10 N 1.94 0.00 -0.63 7.34 0.13 -1.97 -2.82 132.00 135.98 2jtq h PRO 10 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2jtq h PRO 10 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 2jtq h PRO 10 CO 0.59 0.09 0.37 1.49 -0.23 0.00 0.00 178.00 180.31 2jtq h GLU 11 N 0.00 0.86 0.00 0.86 4.81 -2.01 -2.51 114.58 116.59 2jtq h GLU 11 Ca -0.00 -0.08 -0.17 0.00 -0.13 0.00 0.00 59.36 58.98 2jtq h GLU 11 Cb 0.66 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2jtq h GLU 11 CO 0.01 0.61 -0.80 1.96 -0.73 0.00 0.00 179.01 180.07 2jtq h GLN 12 N 0.87 0.00 -0.41 1.92 4.20 -1.87 -2.77 115.11 117.04 2jtq h GLN 12 Ca 0.23 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.96 2jtq h GLN 12 Cb -0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2jtq h GLN 12 CO -0.04 0.80 0.28 -0.92 -0.67 0.00 0.00 178.83 178.27 2jtq h TYR 13 N 0.00 0.45 0.00 2.96 5.03 -1.52 -0.40 116.97 123.49 2jtq h TYR 13 Ca -0.01 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 2jtq h TYR 13 Cb 1.44 -0.15 -0.00 0.00 1.55 0.00 0.00 36.73 39.57 2jtq h TYR 13 CO 0.00 0.27 -0.14 1.96 -1.32 0.00 0.00 178.16 178.93 2jtq h GLN 14 N 0.47 0.00 0.04 1.82 1.08 -1.27 -3.22 115.11 114.03 2jtq h GLN 14 Ca 0.16 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.20 2jtq h GLN 14 Cb 0.07 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2jtq h GLN 14 CO -0.04 0.14 -0.87 1.96 -0.95 0.00 0.00 178.83 179.07 2jtq h GLN 15 N 0.00 0.08 -2.23 1.46 1.08 -1.14 -3.03 115.11 111.33 2jtq h GLN 15 Ca -0.00 -0.14 -0.07 0.00 -1.45 0.00 0.00 58.65 56.99 2jtq h GLN 15 Cb 0.43 0.05 -0.20 0.00 -0.05 0.00 0.00 27.48 27.71 2jtq h GLN 15 CO 0.02 1.06 0.06 -2.00 -0.95 0.00 0.00 178.83 177.02 2jtq s GLU 16 N -2.35 0.87 0.12 1.46 2.12 -0.75 -1.34 118.70 118.83 2jtq s GLU 16 Ca -0.22 0.46 -0.13 0.00 0.36 0.00 0.00 54.97 55.43 2jtq s GLU 16 Cb 0.02 0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.85 2jtq s GLU 16 CO 0.68 -0.21 0.33 -3.38 -0.54 0.00 0.00 175.26 172.14 2jtq s HIS 17 N -0.56 -0.05 0.28 5.30 -3.43 -0.53 -4.08 115.29 112.21 2jtq s HIS 17 Ca -0.07 -0.31 -0.30 0.00 -0.80 0.00 0.00 55.06 53.58 2jtq s HIS 17 Cb -0.03 0.14 -0.11 0.00 -1.43 0.00 0.00 32.58 31.15 2jtq s HIS 17 CO 0.05 -0.66 1.59 0.08 -2.00 0.00 0.00 174.74 173.80 2jtq s VAL 18 N -3.83 2.13 -0.15 -5.38 1.01 -1.26 -1.17 120.40 111.75 2jtq s VAL 18 Ca 0.05 0.11 -0.31 0.00 0.00 0.00 0.00 61.98 61.82 2jtq s VAL 18 Cb 0.03 -3.07 -0.08 0.00 0.00 0.00 0.00 36.38 33.25 2jtq s VAL 18 CO -0.11 0.02 2.08 1.67 0.00 0.00 0.00 175.10 178.76 2jtq n GLN 19 N 2.37 2.11 -0.42 2.72 7.27 -0.33 -1.65 117.38 129.44 2jtq n GLN 19 Ca 0.09 0.69 0.00 0.00 0.07 0.00 0.00 57.00 57.84 2jtq n GLN 19 Cb 0.37 -2.94 0.00 0.00 2.41 0.00 0.00 30.24 30.09 2jtq n GLN 19 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jtq n GLY 20 N 5.28 0.96 3.78 1.69 0.00 -1.26 -4.98 105.19 110.65 2jtq n GLY 20 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 2jtq n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jtq s ALA 21 N -2.97 2.61 0.64 4.61 0.00 -0.66 -4.93 121.76 121.06 2jtq s ALA 21 Ca 0.00 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.51 2jtq s ALA 21 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.80 2jtq s ALA 21 CO 0.00 -0.98 1.00 0.42 0.00 0.00 0.00 175.76 176.20 2jtq s ILE 22 N -2.12 3.82 -0.06 0.00 -1.09 -0.26 -4.95 121.20 116.56 2jtq s ILE 22 Ca 0.69 0.36 0.02 0.00 -2.23 0.00 0.00 60.65 59.48 2jtq s ILE 22 Cb -0.21 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.13 2jtq s ILE 22 CO 0.34 -0.66 -0.10 0.21 -1.23 0.00 0.00 174.94 173.50 2jtq s ASN 23 N -4.30 1.50 -0.14 3.58 3.84 -1.26 -0.69 114.94 117.47 2jtq s ASN 23 Ca 0.55 -0.24 -0.04 0.00 0.21 0.00 0.00 52.86 53.34 2jtq s ASN 23 Cb -0.11 -0.67 0.06 0.00 -0.55 0.00 0.00 41.25 39.98 2jtq s ASN 23 CO 0.49 0.02 0.15 -0.63 -2.79 0.00 0.00 177.10 174.34 2jtq s ILE 24 N 0.67 -0.22 0.69 -5.21 1.01 -0.37 -4.93 121.20 112.84 2jtq s ILE 24 Ca -0.13 0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.45 2jtq s ILE 24 Cb -0.15 -0.47 0.02 0.00 0.01 0.00 0.00 42.46 41.87 2jtq s ILE 24 CO 0.03 -0.06 1.21 -2.16 0.00 0.00 0.00 174.94 173.95 2jtq s PRO 25 N 2.25 2.39 0.30 2.79 0.04 -1.26 -4.04 135.00 137.47 2jtq s PRO 25 Ca 0.04 1.79 0.05 0.00 0.04 0.00 0.00 61.00 62.92 2jtq s PRO 25 Cb -0.14 -1.86 0.71 0.00 0.04 0.00 0.00 34.50 33.25 2jtq s PRO 25 CO -0.08 -1.65 1.76 1.25 0.04 0.00 0.00 177.00 178.32 2jtq h LEU 26 N 0.06 0.69 -2.11 -3.56 6.46 -1.61 0.19 115.31 115.43 2jtq h LEU 26 Ca -0.49 0.10 0.08 0.00 -0.12 0.00 0.00 57.88 57.46 2jtq h LEU 26 Cb 1.30 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 2jtq h LEU 26 CO 0.51 0.23 0.30 0.07 -0.62 0.00 0.00 178.44 178.93 2jtq h LYS 27 N 0.69 0.00 0.00 1.25 2.10 -1.89 -2.88 116.57 115.84 2jtq h LYS 27 Ca 0.56 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 59.10 2jtq h LYS 27 Cb 0.89 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.20 2jtq h LYS 27 CO -0.40 0.00 -1.57 0.39 -2.00 0.00 0.00 179.45 175.88 2jtq n GLU 28 N -3.84 1.86 -0.22 0.07 1.02 0.48 -4.58 120.64 115.42 2jtq n GLU 28 Ca 0.04 -0.03 0.05 0.00 -0.02 0.00 0.00 57.16 57.21 2jtq n GLU 28 Cb 0.45 -1.23 0.31 0.00 -0.02 0.00 0.00 31.44 30.95 2jtq n GLU 28 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 2jtq h VAL 29 N 0.00 1.04 0.00 2.62 3.04 -0.86 0.27 116.25 122.36 2jtq h VAL 29 Ca -0.17 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2jtq h VAL 29 Cb 1.22 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 2jtq h VAL 29 CO 0.01 0.16 0.06 0.50 -1.01 0.00 0.00 177.57 177.29 2jtq h LYS 30 N 0.86 0.00 0.00 4.17 3.64 -1.80 -1.29 116.57 122.15 2jtq h LYS 30 Ca 0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.72 2jtq h LYS 30 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2jtq h LYS 30 CO -0.12 0.00 -0.72 -0.85 -2.27 0.00 0.00 179.45 175.49 2jtq n GLU 31 N -2.31 2.89 0.07 1.90 0.28 -0.34 -4.83 120.64 118.31 2jtq n GLU 31 Ca -0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.93 2jtq n GLU 31 Cb 0.10 -0.86 -0.09 0.00 1.43 0.00 0.00 31.44 32.02 2jtq n GLU 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jtq h ARG 32 N 0.00 0.00 -0.28 3.44 3.08 -0.40 -3.21 114.38 117.01 2jtq h ARG 32 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2jtq h ARG 32 Cb 0.72 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.76 2jtq h ARG 32 CO 0.00 0.86 0.19 0.97 -1.07 0.00 0.00 179.97 180.92 2jtq h ILE 33 N 0.00 1.02 0.00 2.04 6.09 -1.43 -0.21 117.51 125.02 2jtq h ILE 33 Ca -0.03 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 2jtq h ILE 33 Cb 1.70 0.70 0.00 0.00 0.47 0.00 0.00 36.82 39.69 2jtq h ILE 33 CO 0.11 0.05 0.00 0.00 -3.07 0.00 0.00 178.15 175.25 2jtq h ALA 34 N 1.84 1.00 0.00 0.18 0.00 -1.79 0.18 119.26 120.67 2jtq h ALA 34 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 2jtq h ALA 34 Cb 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.84 2jtq h ALA 34 CO -0.02 0.00 -1.91 2.41 0.00 0.00 0.00 179.25 179.73 2jtq n THR 35 N -2.97 0.91 0.07 0.00 -1.04 -0.24 -4.09 114.28 106.92 2jtq n THR 35 Ca -0.03 -0.52 -0.13 0.00 -2.04 0.00 0.00 64.05 61.34 2jtq n THR 35 Cb 0.07 -0.74 -0.05 0.00 -1.82 0.00 0.00 70.33 67.79 2jtq n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jtq h ALA 36 N 0.52 0.36 -1.64 2.41 0.00 -0.66 -3.40 119.26 116.85 2jtq h ALA 36 Ca -0.36 -0.73 -0.48 0.00 0.00 0.00 0.00 54.91 53.34 2jtq h ALA 36 Cb 1.76 -0.03 -0.33 0.00 0.00 0.00 0.00 17.79 19.20 2jtq h ALA 36 CO 0.00 0.85 -0.93 0.28 0.00 0.00 0.00 179.25 179.46 2jtq n VAL 37 N -3.71 -0.64 0.28 0.00 0.31 0.60 -5.00 118.33 110.19 2jtq n VAL 37 Ca -0.06 -3.22 0.16 0.00 -0.01 0.00 0.00 64.34 61.21 2jtq n VAL 37 Cb 0.85 -1.06 0.82 0.00 -0.91 0.00 0.00 33.84 33.54 2jtq n VAL 37 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 2jtq h PRO 38 N 4.41 0.00 -6.15 5.55 0.13 -1.71 -3.40 132.00 130.83 2jtq h PRO 38 Ca 0.07 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.68 2jtq h PRO 38 Cb 0.93 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.01 2jtq h PRO 38 CO 0.39 0.06 1.26 0.34 -0.23 0.00 0.00 178.00 179.81 2jtq s ASP 39 N -5.78 5.62 0.37 1.44 2.15 -1.26 -4.88 116.67 114.33 2jtq s ASP 39 Ca -0.02 0.33 0.25 0.00 0.43 0.00 0.00 52.55 53.54 2jtq s ASP 39 Cb 0.12 -2.54 1.32 0.00 -0.30 0.00 0.00 42.92 41.53 2jtq s ASP 39 CO 0.53 -2.10 1.77 0.11 -0.17 0.00 0.00 175.17 175.31 2jtq h LYS 40 N 13.32 0.00 -0.42 4.34 1.57 -1.93 -1.59 116.57 131.86 2jtq h LYS 40 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2jtq h LYS 40 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2jtq h LYS 40 CO 1.20 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 178.37 2jtq n ASN 41 N -2.39 3.31 -4.76 0.86 5.15 -1.26 -1.06 115.26 115.11 2jtq n ASN 41 Ca -0.01 -1.97 -0.38 0.00 -0.60 0.00 0.00 54.58 51.62 2jtq n ASN 41 Cb 0.07 -0.27 0.01 0.00 -0.53 0.00 0.00 39.78 39.06 2jtq n ASN 41 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jtq s ASP 42 N -1.41 5.79 -1.23 1.20 2.15 -0.60 -4.64 116.67 117.92 2jtq s ASP 42 Ca 0.39 2.60 -0.20 0.00 0.43 0.00 0.00 52.55 55.77 2jtq s ASP 42 Cb 0.22 -2.63 -0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2jtq s ASP 42 CO 0.31 -1.20 1.82 -0.89 -0.17 0.00 0.00 175.17 175.04 2jtq s THR 43 N -1.37 3.84 -0.71 1.71 2.01 -0.07 -4.33 115.64 116.72 2jtq s THR 43 Ca 0.66 -1.40 -0.27 0.00 0.31 0.00 0.00 61.69 60.99 2jtq s THR 43 Cb -0.36 -4.89 0.01 0.00 0.01 0.00 0.00 72.50 67.27 2jtq s THR 43 CO 0.44 -1.54 1.49 -0.69 -0.69 0.00 0.00 174.62 173.63 2jtq s VAL 44 N 7.41 3.60 0.19 3.82 1.01 -1.23 -1.22 120.40 133.99 2jtq s VAL 44 Ca 0.60 0.28 -0.28 0.00 0.00 0.00 0.00 61.98 62.59 2jtq s VAL 44 Cb 0.02 -4.58 -0.08 0.00 0.00 0.00 0.00 36.38 31.73 2jtq s VAL 44 CO 0.09 -1.53 0.87 -0.54 0.00 0.00 0.00 175.10 173.99 2jtq s LYS 45 N 6.17 4.72 -0.02 2.72 1.02 -0.02 -1.52 119.74 132.82 2jtq s LYS 45 Ca 0.47 1.33 0.06 0.00 0.02 0.00 0.00 55.97 57.85 2jtq s LYS 45 Cb -0.09 -3.28 -0.01 0.00 -0.52 0.00 0.00 37.83 33.92 2jtq s LYS 45 CO 0.16 0.52 -0.20 0.14 -0.92 0.00 0.00 175.35 175.04 2jtq s VAL 46 N -1.06 1.58 0.17 3.17 -7.23 -0.37 -0.91 120.40 115.75 2jtq s VAL 46 Ca 0.39 -0.85 -0.03 0.00 -1.81 0.00 0.00 61.98 59.68 2jtq s VAL 46 Cb -0.24 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 2jtq s VAL 46 CO 0.29 0.45 0.15 -0.72 -0.31 0.00 0.00 175.10 174.96 2jtq s TYR 47 N -0.43 0.89 0.00 2.82 1.13 -1.16 -0.64 117.35 119.97 2jtq s TYR 47 Ca 0.07 -1.20 0.00 0.00 -1.41 0.00 0.00 57.07 54.53 2jtq s TYR 47 Cb -0.08 -0.41 0.00 0.00 -1.10 0.00 0.00 41.96 40.37 2jtq s TYR 47 CO -0.00 -0.64 0.00 0.00 -2.51 0.00 0.00 175.55 172.40 2jtq h ASN 49 N 0.00 0.64 0.00 0.00 -1.24 -1.94 0.18 115.58 113.22 2jtq h ASN 49 Ca 0.00 -0.50 0.00 0.00 0.71 0.00 0.00 56.30 56.51 2jtq h ASN 49 Cb 0.00 -0.19 0.00 0.00 0.73 0.00 0.00 38.32 38.86 2jtq h ASN 49 CO 0.00 1.29 -0.47 0.00 -1.29 0.00 0.00 177.43 176.97 2jtq n ALA 50 N -2.57 1.96 0.00 1.57 0.00 -1.26 -3.49 120.51 116.72 2jtq n ALA 50 Ca -0.08 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2jtq n ALA 50 Cb 0.83 -0.47 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2jtq n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtq n GLY 51 N 0.00 2.08 0.24 0.00 0.00 -1.25 -4.71 105.19 101.55 2jtq n GLY 51 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 2jtq n GLY 51 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jtq h ARG 52 N 0.00 0.79 -0.22 1.61 0.11 -1.96 0.44 114.38 115.15 2jtq h ARG 52 Ca 0.00 -0.14 -0.20 0.00 0.10 0.00 0.00 59.98 59.74 2jtq h ARG 52 Cb 0.00 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 30.95 2jtq h ARG 52 CO 0.00 0.69 -0.65 0.37 0.10 0.00 0.00 179.97 180.48 2jtq h GLN 53 N 0.72 0.80 0.00 0.08 4.15 -1.96 -2.00 115.11 116.89 2jtq h GLN 53 Ca 0.18 -0.57 -0.07 0.00 0.77 0.00 0.00 58.65 58.96 2jtq h GLN 53 Cb 0.19 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 2jtq h GLN 53 CO -0.02 1.19 -0.34 0.66 -1.93 0.00 0.00 178.83 178.39 2jtq h SER 54 N 0.58 0.00 0.02 -0.69 4.64 -1.81 -0.28 113.55 116.02 2jtq h SER 54 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2jtq h SER 54 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2jtq h SER 54 CO 0.14 0.34 -0.01 1.23 -0.87 0.00 0.00 176.83 177.66 2jtq h GLY 55 N 1.44 -0.03 0.97 -0.77 0.00 -0.55 0.11 103.07 104.24 2jtq h GLY 55 Ca -0.00 0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.35 2jtq h GLY 55 CO 0.04 -0.01 0.51 1.46 0.00 0.00 0.00 176.54 178.54 2jtq h GLN 56 N -0.17 0.99 -0.96 4.80 1.08 -1.11 -1.78 115.11 117.96 2jtq h GLN 56 Ca -0.00 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2jtq h GLN 56 Cb 0.16 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.32 2jtq h GLN 56 CO 0.00 0.66 0.58 0.00 -0.95 0.00 0.00 178.83 179.12 2jtq h ALA 57 N 1.29 1.22 -0.55 3.87 0.00 -0.85 -0.15 119.26 124.09 2jtq h ALA 57 Ca 0.29 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2jtq h ALA 57 Cb -0.09 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.29 2jtq h ALA 57 CO -0.07 0.67 0.35 -0.22 0.00 0.00 0.00 179.25 179.98 2jtq h LYS 58 N 1.32 0.69 -0.15 0.00 3.64 0.03 -0.35 116.57 121.75 2jtq h LYS 58 Ca 0.34 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.66 2jtq h LYS 58 Cb -0.06 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 2jtq h LYS 58 CO -0.07 0.46 0.02 0.93 -2.27 0.00 0.00 179.45 178.52 2jtq h GLU 59 N 0.71 0.25 -0.10 1.90 5.08 -0.82 -1.29 114.58 120.32 2jtq h GLU 59 Ca 0.21 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 2jtq h GLU 59 Cb -0.05 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2jtq h GLU 59 CO -0.06 0.45 -0.05 0.82 -1.00 0.00 0.00 179.01 179.16 2jtq h ILE 60 N 0.03 0.83 -0.15 3.13 2.04 -0.84 -0.27 117.51 122.28 2jtq h ILE 60 Ca 0.05 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.79 2jtq h ILE 60 Cb 0.32 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2jtq h ILE 60 CO 0.00 0.00 -0.42 -0.07 0.00 0.00 0.00 178.15 177.67 2jtq h LEU 61 N -0.05 0.37 -0.67 1.44 3.38 -0.99 -0.84 115.31 117.94 2jtq h LEU 61 Ca 0.06 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 2jtq h LEU 61 Cb 0.13 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2jtq h LEU 61 CO -0.13 0.74 0.14 0.28 0.09 0.00 0.00 178.44 179.56 2jtq h SER 62 N 0.29 1.04 0.16 -0.43 0.02 -0.85 -1.75 113.55 112.03 2jtq h SER 62 Ca 0.02 -0.25 -0.08 0.00 -0.84 0.00 0.00 61.79 60.65 2jtq h SER 62 Cb 0.86 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.11 2jtq h SER 62 CO 0.07 1.02 -0.30 -0.33 -1.14 0.00 0.00 176.83 176.15 2jtq h GLU 63 N 1.01 0.23 0.00 3.45 4.39 -0.61 -0.67 114.58 122.38 2jtq h GLU 63 Ca 0.21 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2jtq h GLU 63 Cb 0.40 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2jtq h GLU 63 CO 0.01 0.51 0.00 -1.33 -1.16 0.00 0.00 179.01 177.03 2jtq n MET 64 N -4.13 0.45 -0.78 2.33 2.81 -0.36 -4.88 117.12 112.56 2jtq n MET 64 Ca -0.01 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.92 2jtq n MET 64 Cb 0.39 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.40 2jtq n MET 64 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jtq n GLY 65 N 0.08 0.55 3.69 3.03 0.00 -0.26 -5.02 105.19 107.26 2jtq n GLY 65 Ca 0.11 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 2jtq n GLY 65 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2jtq s TYR 66 N -2.00 2.95 -1.43 1.61 1.51 -0.69 -4.93 117.35 114.37 2jtq s TYR 66 Ca 0.00 0.87 0.24 0.00 -1.01 0.00 0.00 57.07 57.17 2jtq s TYR 66 Cb 0.00 -3.65 0.33 0.00 -0.11 0.00 0.00 41.96 38.53 2jtq s TYR 66 CO 0.00 -2.36 1.29 0.25 -1.11 0.00 0.00 175.55 173.62 2jtq n THR 67 N 4.52 0.00 -2.04 -0.71 -2.24 -0.23 -4.32 114.28 109.27 2jtq n THR 67 Ca 0.13 -0.09 0.03 0.00 -2.27 0.00 0.00 64.05 61.85 2jtq n THR 67 Cb 0.44 0.65 0.04 0.00 -2.10 0.00 0.00 70.33 69.36 2jtq n THR 67 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jtq n HIS 68 N -0.95 0.00 -1.76 4.78 -0.00 -1.25 -5.00 115.22 111.05 2jtq n HIS 68 Ca 0.08 -0.43 -0.39 0.00 0.46 0.00 0.00 57.72 57.44 2jtq n HIS 68 Cb 0.36 -0.12 0.04 0.00 -0.12 0.00 0.00 29.99 30.15 2jtq n HIS 68 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2jtq s VAL 69 N -0.63 2.01 0.02 3.57 1.01 -1.26 -3.50 120.40 121.62 2jtq s VAL 69 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2jtq s VAL 69 Cb 0.21 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 2jtq s VAL 69 CO -0.06 0.00 -0.01 -0.70 0.00 0.00 0.00 175.10 174.32 2jtq s GLU 70 N -2.78 0.35 -0.19 2.72 2.56 -0.57 -4.92 118.70 115.85 2jtq s GLU 70 Ca 0.69 -0.62 -0.09 0.00 0.00 0.00 0.00 54.97 54.94 2jtq s GLU 70 Cb -0.42 0.13 -0.05 0.00 2.00 0.00 0.00 34.13 35.79 2jtq s GLU 70 CO 0.51 -0.06 0.10 1.21 -0.56 0.00 0.00 175.26 176.47 2jtq s ASN 71 N -1.54 5.99 -0.00 -1.70 3.84 -1.26 -1.24 114.94 119.03 2jtq s ASN 71 Ca -0.15 0.17 0.10 0.00 0.21 0.00 0.00 52.86 53.19 2jtq s ASN 71 Cb -0.09 -2.04 0.28 0.00 -0.55 0.00 0.00 41.25 38.85 2jtq s ASN 71 CO -0.01 0.18 1.23 0.00 -2.79 0.00 0.00 177.10 175.70 2jtq n ALA 72 N 3.53 2.16 0.00 1.71 0.00 0.19 -4.90 120.51 123.21 2jtq n ALA 72 Ca -0.16 -1.13 0.00 0.00 0.00 0.00 0.00 53.44 52.14 2jtq n ALA 72 Cb 0.52 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2jtq n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jtq n GLY 73 N 0.41 -0.06 3.63 0.00 0.00 -1.25 -4.69 105.19 103.24 2jtq n GLY 73 Ca 0.10 -1.16 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 2jtq n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jtq s GLY 74 N 0.00 1.84 0.50 -0.02 0.00 -1.26 -2.56 107.32 105.82 2jtq s GLY 74 Ca 0.00 -1.12 0.25 0.00 0.00 0.00 0.00 44.72 43.85 2jtq s GLY 74 CO 0.00 -1.06 1.94 -2.00 0.00 0.00 0.00 173.10 171.98 2jtq h LEU 75 N 3.83 0.11 -0.71 0.66 5.85 -0.99 -0.71 115.31 123.35 2jtq h LEU 75 Ca -0.48 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.25 2jtq h LEU 75 Cb 1.17 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.18 2jtq h LEU 75 CO 0.56 0.05 0.00 2.29 -0.34 0.00 0.00 178.44 181.00 2jtq n LYS 76 N -4.38 0.15 0.00 1.25 2.85 -1.26 -3.60 118.16 113.17 2jtq n LYS 76 Ca 0.14 0.45 0.00 0.00 -1.05 0.00 0.00 58.31 57.85 2jtq n LYS 76 Cb 0.71 -1.82 0.00 0.00 -0.65 0.00 0.00 35.03 33.27 2jtq n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2jtq n ASP 77 N -2.10 0.63 0.21 -5.58 2.03 -0.28 -4.73 116.55 106.72 2jtq n ASP 77 Ca 0.01 -0.88 0.06 0.00 0.52 0.00 0.00 54.79 54.51 2jtq n ASP 77 Cb 0.17 0.16 0.47 0.00 -0.72 0.00 0.00 41.12 41.20 2jtq n ASP 77 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2jtq h ILE 78 N 0.17 0.99 -6.40 5.18 2.04 -1.61 -3.47 117.51 114.41 2jtq h ILE 78 Ca 0.00 -1.04 -0.48 0.00 1.00 0.00 0.00 64.86 64.34 2jtq h ILE 78 Cb 0.09 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2jtq h ILE 78 CO 0.00 0.28 -0.88 0.00 0.00 0.00 0.00 178.15 177.55 2jtq n ALA 79 N -2.39 -2.05 -2.19 1.87 0.00 -1.26 -5.01 120.51 109.47 2jtq n ALA 79 Ca -0.02 -0.25 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 2jtq n ALA 79 Cb 0.36 -1.71 -0.10 0.00 0.00 0.00 0.00 19.45 18.00 2jtq n ALA 79 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2jtq s MET 80 N -6.41 0.91 0.78 0.00 1.00 -1.26 -5.15 119.30 109.17 2jtq s MET 80 Ca 0.03 -1.38 -0.14 0.00 0.00 0.00 0.00 55.69 54.20 2jtq s MET 80 Cb -0.01 -0.30 0.07 0.00 0.00 0.00 0.00 34.83 34.59 2jtq s MET 80 CO 0.87 -0.01 1.21 -1.25 0.00 0.00 0.00 175.02 175.84 2jtq s PRO 81 N -3.82 1.84 0.41 2.03 0.04 -1.26 -4.89 135.00 129.33 2jtq s PRO 81 Ca 0.14 1.75 0.03 0.00 0.04 0.00 0.00 61.00 62.97 2jtq s PRO 81 Cb 0.05 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 2jtq s PRO 81 CO -0.03 -2.06 0.08 0.15 0.04 0.00 0.00 177.00 175.18 2jtq s LYS 82 N -4.06 1.91 0.01 4.56 -0.14 -1.26 -1.19 119.74 119.57 2jtq s LYS 82 Ca 0.73 -2.15 0.02 0.00 -1.36 0.00 0.00 55.97 53.22 2jtq s LYS 82 Cb -0.29 -0.90 -0.01 0.00 -1.68 0.00 0.00 37.83 34.95 2jtq s LYS 82 CO 0.49 -0.36 -0.06 0.08 -0.76 0.00 0.00 175.35 174.74 2jtq s VAL 83 N -3.15 0.46 0.07 3.17 1.01 -0.32 -4.47 120.40 117.18 2jtq s VAL 83 Ca 0.24 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.66 2jtq s VAL 83 Cb 0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.94 2jtq s VAL 83 CO 0.13 -0.09 -0.06 -0.54 0.00 0.00 0.00 175.10 174.54 2jtq s LYS 84 N -0.72 0.66 0.00 2.72 1.02 -1.26 -1.46 119.74 120.71 2jtq s LYS 84 Ca -0.03 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 54.88 2jtq s LYS 84 Cb -0.05 -0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.11 2jtq s LYS 84 CO 0.00 -0.01 0.40 0.41 -0.92 0.00 0.00 175.35 175.23