#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 0.68 0.14 0.00 2.12 -1.26 -1.16 118.70 119.22 2jtq s GLU 2 Ca 0.00 0.31 -0.02 0.00 0.36 0.00 0.00 54.97 55.63 2jtq s GLU 2 Cb 0.00 0.32 -0.04 0.00 0.26 0.00 0.00 34.13 34.67 2jtq s GLU 2 CO 0.00 -0.15 0.08 -1.01 -0.54 0.00 0.00 175.26 173.64 2jtq s HIS 3 N -0.52 0.86 -0.07 5.30 3.76 0.11 -4.84 115.29 119.90 2jtq s HIS 3 Ca -0.06 -1.22 0.01 0.00 -0.15 0.00 0.00 55.06 53.64 2jtq s HIS 3 Cb -0.03 -0.46 0.02 0.00 1.11 0.00 0.00 32.58 33.22 2jtq s HIS 3 CO 0.04 -0.55 -0.06 -1.58 -0.85 0.00 0.00 174.74 171.73 2jtq s TRP 4 N -4.06 1.05 -0.23 1.40 0.52 -1.26 -0.79 118.94 115.57 2jtq s TRP 4 Ca 0.25 -0.38 0.02 0.00 0.02 0.00 0.00 56.10 56.02 2jtq s TRP 4 Cb 0.07 -0.89 0.04 0.00 -1.15 0.00 0.00 33.47 31.55 2jtq s TRP 4 CO 0.03 -0.29 -0.15 0.42 0.02 0.00 0.00 176.95 176.98 2jtq s ILE 5 N 1.13 2.12 -1.01 2.03 -1.09 0.15 -1.26 121.20 123.26 2jtq s ILE 5 Ca -0.07 -1.34 -0.23 0.00 -2.23 0.00 0.00 60.65 56.78 2jtq s ILE 5 Cb -0.14 -2.10 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 2jtq s ILE 5 CO -0.01 0.21 1.78 -0.62 -1.23 0.00 0.00 174.94 175.07 2jtq s ASP 6 N 1.18 5.66 0.00 3.58 2.15 0.29 -1.53 116.67 128.01 2jtq s ASP 6 Ca -0.03 -1.19 0.19 0.00 0.43 0.00 0.00 52.55 51.95 2jtq s ASP 6 Cb -0.17 -2.57 1.12 0.00 -0.30 0.00 0.00 42.92 41.00 2jtq s ASP 6 CO -0.08 -2.30 1.55 1.33 -0.17 0.00 0.00 175.17 175.49 2jtq n VAL 7 N 7.46 0.07 -0.98 1.11 0.24 0.15 -2.78 118.33 123.60 2jtq n VAL 7 Ca 0.40 0.02 -0.30 0.00 -2.04 0.00 0.00 64.34 62.42 2jtq n VAL 7 Cb 0.48 -0.72 0.17 0.00 -1.47 0.00 0.00 33.84 32.30 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 -2.09 0.69 0.53 7.34 3.52 -1.25 -1.41 118.95 126.27 2jtq s ARG 8 Ca 0.27 0.92 -0.22 0.00 -0.13 0.00 0.00 55.73 56.57 2jtq s ARG 8 Cb 0.13 -1.74 -0.06 0.00 -1.56 0.00 0.00 34.95 31.72 2jtq s ARG 8 CO 0.23 -2.66 1.19 1.33 -0.81 0.00 0.00 175.30 174.58 2jtq n VAL 9 N -4.18 3.41 0.26 7.11 0.24 -1.26 -3.98 118.33 119.93 2jtq n VAL 9 Ca 0.07 -0.50 0.16 0.00 -2.04 0.00 0.00 64.34 62.03 2jtq n VAL 9 Cb 0.55 -1.44 0.55 0.00 -1.47 0.00 0.00 33.84 32.03 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 1.28 0.00 -0.72 7.34 0.13 -1.95 -3.06 132.00 135.02 2jtq h PRO 10 Ca -0.49 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.58 2jtq h PRO 10 Cb 1.32 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2jtq h PRO 10 CO 0.56 0.00 0.20 0.93 -0.23 0.00 0.00 178.00 179.46 2jtq h GLU 11 N 0.00 1.14 0.01 0.86 5.08 -1.97 -2.26 114.58 117.43 2jtq h GLU 11 Ca -0.00 -0.26 -0.21 0.00 -1.00 0.00 0.00 59.36 57.89 2jtq h GLU 11 Cb 0.64 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2jtq h GLU 11 CO 0.00 0.99 -0.99 1.96 -1.00 0.00 0.00 179.01 179.97 2jtq h GLN 12 N 1.09 0.02 -0.90 2.33 4.20 -1.91 -3.00 115.11 116.94 2jtq h GLN 12 Ca 0.23 -0.04 0.11 0.00 0.06 0.00 0.00 58.65 59.02 2jtq h GLN 12 Cb 0.34 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.05 2jtq h GLN 12 CO -0.00 0.99 0.54 -0.92 -0.67 0.00 0.00 178.83 178.76 2jtq h TYR 13 N 0.01 0.97 0.00 2.96 3.20 -1.52 -0.77 116.97 121.82 2jtq h TYR 13 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2jtq h TYR 13 Cb 1.73 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.70 2jtq h TYR 13 CO 0.00 0.37 0.00 1.04 -1.64 0.00 0.00 178.16 177.94 2jtq n GLN 14 N -4.71 0.77 0.00 1.82 6.02 -0.87 -3.21 117.38 117.21 2jtq n GLN 14 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 2jtq n GLN 14 Cb 0.33 -1.30 0.00 0.00 1.02 0.00 0.00 30.24 30.29 2jtq n GLN 14 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2jtq n GLN 15 N -0.02 0.55 -3.66 -1.09 1.13 -0.40 -4.33 117.38 109.56 2jtq n GLN 15 Ca 0.00 0.00 -0.15 0.00 -1.94 0.00 0.00 57.00 54.91 2jtq n GLN 15 Cb 0.15 -0.70 -0.08 0.00 0.11 0.00 0.00 30.24 29.72 2jtq n GLN 15 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 2jtq s GLU 16 N -1.41 0.75 0.03 -1.09 2.12 -0.59 -1.05 118.70 117.46 2jtq s GLU 16 Ca 0.00 0.52 -0.19 0.00 0.36 0.00 0.00 54.97 55.66 2jtq s GLU 16 Cb 0.00 0.36 0.04 0.00 0.26 0.00 0.00 34.13 34.79 2jtq s GLU 16 CO 0.00 -0.15 0.43 -1.58 -0.54 0.00 0.00 175.26 173.42 2jtq s HIS 17 N -0.29 -0.30 0.45 5.30 2.46 -0.62 -4.08 115.29 118.22 2jtq s HIS 17 Ca -0.05 0.32 -0.24 0.00 0.47 0.00 0.00 55.06 55.57 2jtq s HIS 17 Cb -0.03 0.23 -0.07 0.00 -0.13 0.00 0.00 32.58 32.58 2jtq s HIS 17 CO 0.03 -0.56 1.24 0.08 -2.47 0.00 0.00 174.74 173.07 2jtq s VAL 18 N -2.25 2.77 0.46 0.89 1.01 -1.26 -0.65 120.40 121.37 2jtq s VAL 18 Ca -0.07 0.61 0.31 0.00 0.00 0.00 0.00 61.98 62.84 2jtq s VAL 18 Cb -0.01 -3.33 0.34 0.00 0.00 0.00 0.00 36.38 33.38 2jtq s VAL 18 CO -0.01 0.03 2.15 -0.61 0.00 0.00 0.00 175.10 176.67 2jtq h GLN 19 N 2.18 0.00 -2.06 2.72 4.15 -1.36 -3.28 115.11 117.46 2jtq h GLN 19 Ca -0.50 0.00 -0.53 0.00 0.77 0.00 0.00 58.65 58.40 2jtq h GLN 19 Cb 1.26 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.54 2jtq h GLN 19 CO 0.61 0.07 -1.04 0.41 -1.93 0.00 0.00 178.83 176.94 2jtq n GLY 20 N -0.81 3.85 3.29 2.39 0.00 -1.26 -5.00 105.19 107.64 2jtq n GLY 20 Ca -0.02 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.29 1.40 0.15 4.61 0.00 -1.24 -4.60 121.76 119.79 2jtq s ALA 21 Ca 0.40 -1.83 0.10 0.00 0.00 0.00 0.00 51.96 50.64 2jtq s ALA 21 Cb 0.28 1.39 -0.04 0.00 0.00 0.00 0.00 23.12 24.75 2jtq s ALA 21 CO -0.09 -0.66 -0.22 0.42 0.00 0.00 0.00 175.76 175.20 2jtq s ILE 22 N -3.68 2.52 -0.13 0.00 -1.09 -0.39 -5.01 121.20 113.42 2jtq s ILE 22 Ca 0.38 -1.76 0.01 0.00 -2.23 0.00 0.00 60.65 57.05 2jtq s ILE 22 Cb 0.04 -2.17 -0.00 0.00 -1.58 0.00 0.00 42.46 38.74 2jtq s ILE 22 CO 0.20 0.02 -0.17 0.21 -1.23 0.00 0.00 174.94 173.97 2jtq s ASN 23 N -2.32 3.62 -0.10 3.58 3.84 -1.26 -0.55 114.94 121.74 2jtq s ASN 23 Ca 0.18 -0.45 -0.04 0.00 0.21 0.00 0.00 52.86 52.75 2jtq s ASN 23 Cb -0.09 -1.54 0.05 0.00 -0.55 0.00 0.00 41.25 39.12 2jtq s ASN 23 CO 0.09 0.13 0.22 -0.63 -2.79 0.00 0.00 177.10 174.12 2jtq s ILE 24 N 0.56 -0.17 0.49 -5.21 1.01 -1.12 -4.98 121.20 111.79 2jtq s ILE 24 Ca -0.10 0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.54 2jtq s ILE 24 Cb -0.16 -0.36 -0.07 0.00 0.01 0.00 0.00 42.46 41.88 2jtq s ILE 24 CO 0.04 0.09 1.24 -2.16 0.00 0.00 0.00 174.94 174.14 2jtq s PRO 25 N 1.67 3.55 0.38 2.79 0.04 -1.26 -3.99 135.00 138.19 2jtq s PRO 25 Ca -0.05 1.95 0.14 0.00 0.04 0.00 0.00 61.00 63.08 2jtq s PRO 25 Cb -0.11 -2.37 0.97 0.00 0.04 0.00 0.00 34.50 33.03 2jtq s PRO 25 CO -0.08 -0.77 1.83 1.25 0.04 0.00 0.00 177.00 179.27 2jtq h LEU 26 N 1.87 0.53 -1.60 -3.56 5.85 -1.48 0.15 115.31 117.07 2jtq h LEU 26 Ca -0.50 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.28 2jtq h LEU 26 Cb 1.27 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 2jtq h LEU 26 CO 0.59 0.20 0.27 0.07 -0.34 0.00 0.00 178.44 179.24 2jtq h LYS 27 N 0.52 0.54 0.20 1.25 2.10 -1.90 -2.34 116.57 116.94 2jtq h LYS 27 Ca 0.51 -0.03 -0.33 0.00 -2.00 0.00 0.00 60.65 58.80 2jtq h LYS 27 Cb 1.09 -0.12 0.02 0.00 -0.90 0.00 0.00 32.23 32.32 2jtq h LYS 27 CO -0.24 0.36 -1.52 0.93 -2.00 0.00 0.00 179.45 176.98 2jtq h GLU 28 N 0.56 0.42 -0.96 0.07 5.08 -1.08 -3.36 114.58 115.30 2jtq h GLU 28 Ca 0.15 -0.71 0.21 0.00 -1.00 0.00 0.00 59.36 58.01 2jtq h GLU 28 Cb -0.06 0.27 -0.12 0.00 0.50 0.00 0.00 28.75 29.34 2jtq h GLU 28 CO -0.03 1.33 0.54 0.28 -1.00 0.00 0.00 179.01 180.12 2jtq h VAL 29 N 0.11 0.60 0.00 3.13 2.07 -0.78 0.26 116.25 121.65 2jtq h VAL 29 Ca -0.26 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2jtq h VAL 29 Cb 2.10 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2jtq h VAL 29 CO 0.22 0.11 0.00 1.17 0.02 0.00 0.00 177.57 179.09 2jtq n LYS 30 N -4.88 0.19 0.00 1.57 0.00 -1.11 -0.96 118.16 112.97 2jtq n LYS 30 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 58.31 58.60 2jtq n LYS 30 Cb 0.63 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.16 2jtq n LYS 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2jtq n GLU 31 N -1.08 0.00 0.28 1.64 2.13 -0.28 -4.88 120.64 118.45 2jtq n GLU 31 Ca 0.05 0.00 0.17 0.00 0.66 0.00 0.00 57.16 58.04 2jtq n GLU 31 Cb 0.03 -0.37 0.77 0.00 0.27 0.00 0.00 31.44 32.14 2jtq n GLU 31 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 2jtq h ARG 32 N 0.00 0.00 -0.42 5.31 2.43 -0.40 -1.33 114.38 119.97 2jtq h ARG 32 Ca 0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jtq h ARG 32 Cb 0.54 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2jtq h ARG 32 CO 0.00 0.04 0.26 0.97 -1.51 0.00 0.00 179.97 179.73 2jtq h ILE 33 N 0.00 1.12 -0.28 1.20 6.09 -1.24 -0.29 117.51 124.10 2jtq h ILE 33 Ca -0.00 -0.26 -0.01 0.00 -1.37 0.00 0.00 64.86 63.22 2jtq h ILE 33 Cb 0.41 0.53 -0.01 0.00 0.47 0.00 0.00 36.82 38.22 2jtq h ILE 33 CO 0.01 0.12 0.13 0.00 -3.07 0.00 0.00 178.15 175.34 2jtq h ALA 34 N 1.71 1.69 -0.05 0.18 0.00 -1.47 0.27 119.26 121.60 2jtq h ALA 34 Ca 0.15 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 2jtq h ALA 34 Cb -0.03 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.65 2jtq h ALA 34 CO -0.03 0.25 -0.56 1.15 0.00 0.00 0.00 179.25 180.07 2jtq h THR 35 N 0.39 1.39 0.07 0.00 2.02 -1.34 -3.16 112.91 112.29 2jtq h THR 35 Ca 0.10 -1.95 -0.26 0.00 0.77 0.00 0.00 66.41 65.08 2jtq h THR 35 Cb 0.06 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.84 2jtq h THR 35 CO -0.01 0.58 -1.25 0.00 0.37 0.00 0.00 175.52 175.20 2jtq h ALA 36 N 0.40 0.27 -1.80 6.16 0.00 -0.59 -3.40 119.26 120.30 2jtq h ALA 36 Ca -0.05 -0.98 -0.52 0.00 0.00 0.00 0.00 54.91 53.35 2jtq h ALA 36 Cb 1.23 0.04 -0.36 0.00 0.00 0.00 0.00 17.79 18.70 2jtq h ALA 36 CO 0.11 1.15 -1.03 0.28 0.00 0.00 0.00 179.25 179.76 2jtq n VAL 37 N -3.42 -0.65 0.20 0.00 0.31 0.92 -4.98 118.33 110.71 2jtq n VAL 37 Ca -0.08 -3.70 0.03 0.00 -0.01 0.00 0.00 64.34 60.59 2jtq n VAL 37 Cb 1.00 -1.56 0.40 0.00 -0.91 0.00 0.00 33.84 32.77 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 4.09 0.00 -6.32 5.55 0.13 -1.69 -3.39 132.00 130.37 2jtq h PRO 38 Ca 0.06 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.64 2jtq h PRO 38 Cb 0.90 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.95 2jtq h PRO 38 CO 0.44 0.32 1.10 0.34 -0.23 0.00 0.00 178.00 179.97 2jtq s ASP 39 N -6.91 6.19 0.38 1.44 2.15 -1.26 -4.89 116.67 113.78 2jtq s ASP 39 Ca -0.03 -0.56 0.23 0.00 0.43 0.00 0.00 52.55 52.63 2jtq s ASP 39 Cb 0.15 -2.56 1.28 0.00 -0.30 0.00 0.00 42.92 41.48 2jtq s ASP 39 CO 0.71 -1.80 1.70 0.11 -0.17 0.00 0.00 175.17 175.72 2jtq h LYS 40 N 10.00 0.00 0.00 4.34 1.57 -1.95 -2.08 116.57 128.45 2jtq h LYS 40 Ca -0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2jtq h LYS 40 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 2jtq h LYS 40 CO 1.29 0.00 0.00 -0.97 -0.57 0.00 0.00 179.45 179.20 2jtq h ASN 41 N 0.00 0.00 -3.12 0.86 -1.24 -1.90 -2.41 115.58 107.77 2jtq h ASN 41 Ca 0.00 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.48 2jtq h ASN 41 Cb 0.13 0.00 0.03 0.00 0.73 0.00 0.00 38.32 39.21 2jtq h ASN 41 CO 0.00 0.00 0.74 -1.81 -1.29 0.00 0.00 177.43 175.07 2jtq s ASP 42 N -4.99 6.77 -0.64 1.15 1.01 -0.79 -4.52 116.67 114.67 2jtq s ASP 42 Ca 0.08 2.45 -0.26 0.00 0.71 0.00 0.00 52.55 55.53 2jtq s ASP 42 Cb 0.10 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2jtq s ASP 42 CO 0.59 -0.66 1.96 -0.89 0.21 0.00 0.00 175.17 176.38 2jtq s THR 43 N 0.71 3.31 -0.66 -1.27 2.01 -0.31 -4.55 115.64 114.87 2jtq s THR 43 Ca 0.63 0.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.45 2jtq s THR 43 Cb -0.39 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.34 2jtq s THR 43 CO 0.34 -0.77 1.43 -0.69 -0.69 0.00 0.00 174.62 174.24 2jtq s VAL 44 N 9.79 3.67 0.29 3.82 1.01 -1.06 -0.72 120.40 137.21 2jtq s VAL 44 Ca 0.72 0.45 -0.28 0.00 0.00 0.00 0.00 61.98 62.87 2jtq s VAL 44 Cb -0.12 -4.59 -0.09 0.00 0.00 0.00 0.00 36.38 31.57 2jtq s VAL 44 CO 0.18 -1.47 0.97 -0.54 0.00 0.00 0.00 175.10 174.24 2jtq s LYS 45 N 5.92 4.68 -0.04 2.72 1.02 0.03 -1.90 119.74 132.17 2jtq s LYS 45 Ca 0.46 1.48 0.05 0.00 0.02 0.00 0.00 55.97 57.98 2jtq s LYS 45 Cb -0.10 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.16 2jtq s LYS 45 CO 0.19 0.34 -0.19 0.14 -0.92 0.00 0.00 175.35 174.91 2jtq s VAL 46 N -1.37 1.53 0.14 3.17 -7.23 -0.55 -0.68 120.40 115.41 2jtq s VAL 46 Ca 0.46 -0.79 -0.07 0.00 -1.81 0.00 0.00 61.98 59.77 2jtq s VAL 46 Cb -0.24 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 2jtq s VAL 46 CO 0.30 0.44 0.21 -0.72 -0.31 0.00 0.00 175.10 175.02 2jtq s TYR 47 N -0.12 0.46 0.00 2.82 1.13 -0.58 -0.82 117.35 120.23 2jtq s TYR 47 Ca -0.01 -0.84 0.00 0.00 -1.41 0.00 0.00 57.07 54.82 2jtq s TYR 47 Cb -0.11 -0.15 0.00 0.00 -1.10 0.00 0.00 41.96 40.60 2jtq s TYR 47 CO 0.02 -0.64 0.00 0.00 -2.51 0.00 0.00 175.55 172.41 2jtq h ASN 49 N 0.00 0.84 0.00 0.00 -0.73 -1.94 -2.28 115.58 111.48 2jtq h ASN 49 Ca 0.00 -0.35 0.00 0.00 1.87 0.00 0.00 56.30 57.82 2jtq h ASN 49 Cb 0.00 -0.23 0.00 0.00 0.27 0.00 0.00 38.32 38.36 2jtq h ASN 49 CO 0.00 1.00 0.00 0.00 -0.37 0.00 0.00 177.43 178.06 2jtq n ALA 50 N -2.46 1.23 0.00 1.57 0.00 -1.26 -3.29 120.51 116.30 2jtq n ALA 50 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jtq n ALA 50 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 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 0.61 0.18 0.06 0.00 0.00 -1.22 -2.74 105.19 102.07 2jtq n GLY 51 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 0.05 -0.02 1.61 0.11 -1.98 0.15 114.38 114.31 2jtq h ARG 52 Ca 0.00 -0.01 -0.22 0.00 0.10 0.00 0.00 59.98 59.85 2jtq h ARG 52 Cb 0.00 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.07 2jtq h ARG 52 CO 0.00 0.26 -0.90 0.37 0.10 0.00 0.00 179.97 179.80 2jtq h GLN 53 N -0.16 0.43 -0.18 0.08 4.15 -1.96 -2.29 115.11 115.18 2jtq h GLN 53 Ca 0.01 -0.44 -0.10 0.00 0.77 0.00 0.00 58.65 58.90 2jtq h GLN 53 Cb 0.23 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2jtq h GLN 53 CO 0.00 1.09 -0.32 0.66 -1.93 0.00 0.00 178.83 178.33 2jtq h SER 54 N 0.25 0.37 -0.17 -0.69 4.64 -1.82 0.31 113.55 116.43 2jtq h SER 54 Ca -0.07 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2jtq h SER 54 Cb 1.52 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 2jtq h SER 54 CO 0.16 0.67 0.10 1.23 -0.87 0.00 0.00 176.83 178.12 2jtq h GLY 55 N 1.08 0.25 1.17 -0.77 0.00 -0.48 0.07 103.07 104.40 2jtq h GLY 55 Ca 0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 2jtq h GLY 55 CO 0.05 0.10 0.22 -1.61 0.00 0.00 0.00 176.54 175.30 2jtq h GLN 56 N 0.20 1.05 -0.50 4.80 5.75 -1.23 -2.75 115.11 122.41 2jtq h GLN 56 Ca 0.06 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.33 2jtq h GLN 56 Cb 0.04 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 2jtq h GLN 56 CO -0.01 0.89 0.21 0.00 -2.65 0.00 0.00 178.83 177.27 2jtq h ALA 57 N 1.22 1.43 -0.76 3.38 0.00 -0.46 -1.88 119.26 122.19 2jtq h ALA 57 Ca 0.22 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2jtq h ALA 57 Cb 0.28 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2jtq h ALA 57 CO -0.01 0.44 0.50 -0.22 0.00 0.00 0.00 179.25 179.96 2jtq h LYS 58 N 0.71 1.00 -0.36 0.00 3.64 -0.68 0.15 116.57 121.04 2jtq h LYS 58 Ca 0.17 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.41 2jtq h LYS 58 Cb 0.13 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 2jtq h LYS 58 CO -0.02 0.67 -0.09 0.93 -2.27 0.00 0.00 179.45 178.67 2jtq h GLU 59 N 1.03 0.69 -0.47 1.90 5.08 -1.45 -2.01 114.58 119.35 2jtq h GLU 59 Ca 0.28 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2jtq h GLU 59 Cb -0.11 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2jtq h GLU 59 CO -0.06 0.86 0.26 0.82 -1.00 0.00 0.00 179.01 179.89 2jtq h ILE 60 N 0.49 1.16 -0.00 3.13 2.04 -0.91 0.90 117.51 124.31 2jtq h ILE 60 Ca 0.09 -0.39 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 2jtq h ILE 60 Cb 0.60 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2jtq h ILE 60 CO 0.04 0.17 -0.64 -0.07 0.00 0.00 0.00 178.15 177.65 2jtq h LEU 61 N 0.62 0.01 -0.79 1.44 3.38 -0.95 -0.80 115.31 118.21 2jtq h LEU 61 Ca 0.17 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2jtq h LEU 61 Cb 0.03 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2jtq h LEU 61 CO -0.03 0.65 0.04 0.28 0.09 0.00 0.00 178.44 179.46 2jtq h SER 62 N 0.01 0.91 -0.75 -0.43 0.02 -0.92 -1.49 113.55 110.90 2jtq h SER 62 Ca -0.01 -0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.67 2jtq h SER 62 Cb 1.13 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 63.39 2jtq h SER 62 CO 0.08 0.95 0.29 -0.08 -1.14 0.00 0.00 176.83 176.94 2jtq h GLU 63 N 0.88 1.13 0.00 3.45 4.81 -0.38 -0.90 114.58 123.57 2jtq h GLU 63 Ca 0.17 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2jtq h GLU 63 Cb 0.47 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2jtq h GLU 63 CO 0.02 0.93 0.00 -1.33 -0.73 0.00 0.00 179.01 177.90 2jtq n MET 64 N -4.31 0.28 -1.23 1.92 2.81 -0.35 -4.88 117.12 111.36 2jtq n MET 64 Ca 0.06 0.10 -0.04 0.00 -1.81 0.00 0.00 57.70 56.02 2jtq n MET 64 Cb 0.19 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.18 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 -0.13 0.60 3.67 3.03 0.00 -0.34 -4.99 105.19 107.03 2jtq n GLY 65 Ca 0.08 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.14 1.80 -0.55 1.61 1.51 -0.62 -4.88 117.35 114.08 2jtq s TYR 66 Ca 0.00 -0.07 0.25 0.00 -1.01 0.00 0.00 57.07 56.24 2jtq s TYR 66 Cb 0.00 -4.09 0.67 0.00 -0.11 0.00 0.00 41.96 38.43 2jtq s TYR 66 CO 0.00 -4.66 1.72 1.79 -1.11 0.00 0.00 175.55 173.29 2jtq h THR 67 N 5.37 0.00 -3.19 -0.71 1.35 -1.77 -3.40 112.91 110.56 2jtq h THR 67 Ca -0.45 -0.67 -0.52 0.00 -0.55 0.00 0.00 66.41 64.23 2jtq h THR 67 Cb 1.21 1.65 -0.37 0.00 -1.73 0.00 0.00 68.15 68.91 2jtq h THR 67 CO 0.94 0.00 -0.80 -1.00 -0.25 0.00 0.00 175.52 174.42 2jtq s HIS 68 N -3.19 1.38 0.01 4.73 3.76 -1.20 -5.00 115.29 115.78 2jtq s HIS 68 Ca 0.08 -0.67 -0.02 0.00 -0.15 0.00 0.00 55.06 54.30 2jtq s HIS 68 Cb 0.09 -1.18 -0.01 0.00 1.11 0.00 0.00 32.58 32.59 2jtq s HIS 68 CO 0.61 -0.49 0.03 0.08 -0.85 0.00 0.00 174.74 174.11 2jtq s VAL 69 N 1.74 0.08 -0.00 -0.90 1.01 -1.26 -2.55 120.40 118.52 2jtq s VAL 69 Ca 0.05 -0.70 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 2jtq s VAL 69 Cb -0.13 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 35.99 2jtq s VAL 69 CO -0.08 -0.39 0.19 -0.70 0.00 0.00 0.00 175.10 174.12 2jtq s GLU 70 N -1.19 0.53 -0.09 2.72 2.56 -0.80 -4.91 118.70 117.52 2jtq s GLU 70 Ca -0.13 -0.32 -0.17 0.00 0.00 0.00 0.00 54.97 54.35 2jtq s GLU 70 Cb -0.08 0.22 -0.05 0.00 2.00 0.00 0.00 34.13 36.23 2jtq s GLU 70 CO -0.00 -0.13 0.44 1.21 -0.56 0.00 0.00 175.26 176.22 2jtq s ASN 71 N -1.32 6.68 -0.10 -1.70 3.84 -1.26 -1.49 114.94 119.59 2jtq s ASN 71 Ca -0.14 0.81 0.14 0.00 0.21 0.00 0.00 52.86 53.88 2jtq s ASN 71 Cb -0.07 -2.27 0.25 0.00 -0.55 0.00 0.00 41.25 38.62 2jtq s ASN 71 CO 0.02 0.09 1.15 0.00 -2.79 0.00 0.00 177.10 175.58 2jtq n ALA 72 N 3.23 2.29 -0.65 1.71 0.00 -0.00 -4.89 120.51 122.19 2jtq n ALA 72 Ca -0.09 -2.14 0.00 0.00 0.00 0.00 0.00 53.44 51.21 2jtq n ALA 72 Cb 0.52 -0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -1.01 2.57 3.79 0.00 0.00 -1.25 -4.68 105.19 104.60 2jtq n GLY 73 Ca 0.13 0.05 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.18 0.58 -0.02 0.00 -1.11 -2.09 107.32 104.51 2jtq s GLY 74 Ca 0.00 -0.12 0.28 0.00 0.00 0.00 0.00 44.72 44.88 2jtq s GLY 74 CO 0.00 -0.04 2.04 1.41 0.00 0.00 0.00 173.10 176.51 2jtq h LEU 75 N 2.00 0.00 -0.27 0.66 3.38 -1.39 -0.24 115.31 119.44 2jtq h LEU 75 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2jtq h LEU 75 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2jtq h LEU 75 CO 0.25 0.00 0.00 0.29 0.09 0.00 0.00 178.44 179.07 2jtq n LYS 76 N -3.90 0.12 0.00 1.13 5.02 -1.24 -3.77 118.16 115.53 2jtq n LYS 76 Ca 0.04 0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2jtq n LYS 76 Cb 0.43 -1.70 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2jtq n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jtq n ASP 77 N -1.93 0.73 -0.30 4.39 2.03 -0.20 -4.84 116.55 116.43 2jtq n ASP 77 Ca 0.04 -0.18 0.01 0.00 0.52 0.00 0.00 54.79 55.17 2jtq n ASP 77 Cb 0.26 0.52 0.20 0.00 -0.72 0.00 0.00 41.12 41.38 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 0.00 1.17 -6.62 5.18 2.04 -1.39 -3.47 117.51 114.41 2jtq h ILE 78 Ca 0.00 -0.39 -0.52 0.00 1.00 0.00 0.00 64.86 64.95 2jtq h ILE 78 Cb 0.00 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 35.98 2jtq h ILE 78 CO 0.00 0.21 -0.95 0.00 0.00 0.00 0.00 178.15 177.41 2jtq n ALA 79 N -2.40 -2.30 -2.27 1.87 0.00 -1.26 -5.02 120.51 109.13 2jtq n ALA 79 Ca 0.12 -0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.04 2jtq n ALA 79 Cb 0.09 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 17.07 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 -6.74 1.12 0.10 0.00 -1.94 -1.26 -5.12 119.30 105.45 2jtq s MET 80 Ca 0.25 -1.49 -0.36 0.00 -1.71 0.00 0.00 55.69 52.38 2jtq s MET 80 Cb -0.11 -0.66 -0.17 0.00 2.01 0.00 0.00 34.83 35.90 2jtq s MET 80 CO 0.92 0.06 1.30 -2.30 -0.01 0.00 0.00 175.02 174.99 2jtq n PRO 81 N -0.24 1.10 -4.21 2.03 -0.02 -1.26 -4.90 135.00 127.51 2jtq n PRO 81 Ca -0.09 0.40 -0.12 0.00 -2.02 0.00 0.00 63.50 61.66 2jtq n PRO 81 Cb 0.61 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 2jtq n PRO 81 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2jtq s LYS 82 N 0.33 1.04 0.19 -0.52 -2.85 -1.26 -1.02 119.74 115.64 2jtq s LYS 82 Ca 0.83 -1.50 0.04 0.00 -1.00 0.00 0.00 55.97 54.34 2jtq s LYS 82 Cb -0.95 -0.08 -0.05 0.00 -2.06 0.00 0.00 37.83 34.69 2jtq s LYS 82 CO 0.48 -0.18 -0.05 0.14 0.10 0.00 0.00 175.35 175.84 2jtq s VAL 83 N -3.80 1.09 0.14 1.79 -7.23 0.17 -4.72 120.40 107.86 2jtq s VAL 83 Ca 0.24 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.41 2jtq s VAL 83 Cb 0.07 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.87 2jtq s VAL 83 CO 0.03 -0.54 -0.12 -0.54 -0.31 0.00 0.00 175.10 173.62 2jtq s LYS 84 N -3.81 1.07 0.00 4.82 -0.14 -1.26 -1.58 119.74 118.84 2jtq s LYS 84 Ca 0.23 -1.38 0.00 0.00 -1.36 0.00 0.00 55.97 53.46 2jtq s LYS 84 Cb 0.04 -0.79 0.00 0.00 -1.68 0.00 0.00 37.83 35.40 2jtq s LYS 84 CO 0.05 0.13 0.00 0.41 -0.76 0.00 0.00 175.35 175.17