#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 0.76 0.07 0.00 2.12 -1.26 -0.77 118.70 119.61 2jtq s GLU 2 Ca 0.00 0.15 -0.06 0.00 0.36 0.00 0.00 54.97 55.42 2jtq s GLU 2 Cb 0.00 0.35 -0.02 0.00 0.26 0.00 0.00 34.13 34.73 2jtq s GLU 2 CO 0.00 -0.20 0.10 -1.01 -0.54 0.00 0.00 175.26 173.61 2jtq s HIS 3 N -0.91 0.28 -0.21 5.30 3.76 -0.36 -4.87 115.29 118.29 2jtq s HIS 3 Ca -0.10 -0.73 -0.00 0.00 -0.15 0.00 0.00 55.06 54.08 2jtq s HIS 3 Cb -0.03 -0.18 0.02 0.00 1.11 0.00 0.00 32.58 33.49 2jtq s HIS 3 CO 0.05 -0.46 -0.13 -1.58 -0.85 0.00 0.00 174.74 171.77 2jtq s TRP 4 N -3.69 2.93 -0.39 1.40 0.52 -1.26 -0.94 118.94 117.52 2jtq s TRP 4 Ca 0.04 -1.55 0.01 0.00 0.02 0.00 0.00 56.10 54.61 2jtq s TRP 4 Cb 0.05 -1.99 0.11 0.00 -1.15 0.00 0.00 33.47 30.49 2jtq s TRP 4 CO -0.10 -0.75 0.15 0.42 0.02 0.00 0.00 176.95 176.70 2jtq s ILE 5 N 1.32 2.82 0.12 2.03 -1.09 0.22 -1.16 121.20 125.46 2jtq s ILE 5 Ca 0.03 -2.29 -0.31 0.00 -2.23 0.00 0.00 60.65 55.84 2jtq s ILE 5 Cb -0.15 -2.99 -0.09 0.00 -1.58 0.00 0.00 42.46 37.65 2jtq s ILE 5 CO -0.08 -0.66 1.64 -0.62 -1.23 0.00 0.00 174.94 173.98 2jtq s ASP 6 N 1.26 6.56 -0.11 3.58 -1.08 0.19 -2.76 116.67 124.31 2jtq s ASP 6 Ca 0.10 2.60 0.14 0.00 -0.52 0.00 0.00 52.55 54.87 2jtq s ASP 6 Cb -0.21 -2.58 0.45 0.00 -1.46 0.00 0.00 42.92 39.12 2jtq s ASP 6 CO -0.06 -0.88 1.37 1.33 0.52 0.00 0.00 175.17 177.45 2jtq n VAL 7 N 4.36 1.78 -1.54 1.11 0.24 0.19 -0.98 118.33 123.48 2jtq n VAL 7 Ca 0.15 -1.50 -0.30 0.00 -2.04 0.00 0.00 64.34 60.65 2jtq n VAL 7 Cb 0.39 0.05 0.11 0.00 -1.47 0.00 0.00 33.84 32.92 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 -2.08 1.74 0.37 7.34 3.52 -1.25 -2.26 118.95 126.33 2jtq s ARG 8 Ca 0.35 0.52 -0.28 0.00 -0.13 0.00 0.00 55.73 56.19 2jtq s ARG 8 Cb 0.26 -1.89 -0.11 0.00 -1.56 0.00 0.00 34.95 31.65 2jtq s ARG 8 CO 0.12 -1.83 1.44 0.14 -0.81 0.00 0.00 175.30 174.36 2jtq s VAL 9 N -3.20 2.20 0.18 7.11 -7.23 -1.26 -4.26 120.40 113.94 2jtq s VAL 9 Ca 0.62 0.20 0.26 0.00 -1.81 0.00 0.00 61.98 61.24 2jtq s VAL 9 Cb -0.15 -3.12 0.26 0.00 0.56 0.00 0.00 36.38 33.93 2jtq s VAL 9 CO 0.54 0.05 1.89 1.55 -0.31 0.00 0.00 175.10 178.81 2jtq h PRO 10 N 3.02 0.00 -0.55 4.82 0.13 -1.99 -2.57 132.00 134.87 2jtq h PRO 10 Ca -0.50 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.58 2jtq h PRO 10 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2jtq h PRO 10 CO 0.64 0.18 0.15 0.93 -0.23 0.00 0.00 178.00 179.68 2jtq h GLU 11 N 0.00 0.87 -0.15 0.86 5.08 -1.99 -1.70 114.58 117.55 2jtq h GLU 11 Ca -0.00 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 57.97 2jtq h GLU 11 Cb 0.65 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 2jtq h GLU 11 CO 0.02 0.81 -0.66 1.96 -1.00 0.00 0.00 179.01 180.14 2jtq h GLN 12 N 0.77 0.58 -0.92 2.33 4.20 -1.87 -3.03 115.11 117.18 2jtq h GLN 12 Ca 0.17 -0.43 0.06 0.00 0.06 0.00 0.00 58.65 58.51 2jtq h GLN 12 Cb 0.32 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.11 2jtq h GLN 12 CO -0.00 1.05 0.59 -0.92 -0.67 0.00 0.00 178.83 178.87 2jtq h TYR 13 N 0.42 1.09 0.00 2.96 3.20 -1.31 -0.72 116.97 122.61 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 1.24 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.15 2jtq h TYR 13 CO 0.06 0.58 0.00 1.96 -1.64 0.00 0.00 178.16 179.11 2jtq h GLN 14 N 1.09 0.00 0.05 1.82 4.20 -1.19 -2.81 115.11 118.26 2jtq h GLN 14 Ca 0.39 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.96 2jtq h GLN 14 Cb 0.12 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.92 2jtq h GLN 14 CO -0.16 0.00 -0.59 1.96 -0.67 0.00 0.00 178.83 179.37 2jtq h GLN 15 N 0.00 0.31 -1.98 1.46 1.08 -1.05 -2.99 115.11 111.94 2jtq h GLN 15 Ca 0.00 -0.40 -0.04 0.00 -1.45 0.00 0.00 58.65 56.75 2jtq h GLN 15 Cb 0.32 0.13 -0.20 0.00 -0.05 0.00 0.00 27.48 27.68 2jtq h GLN 15 CO 0.00 1.12 0.18 -2.00 -0.95 0.00 0.00 178.83 177.19 2jtq s GLU 16 N -2.83 0.94 0.21 1.46 2.12 -1.05 -1.09 118.70 118.47 2jtq s GLU 16 Ca -0.14 0.58 -0.16 0.00 0.36 0.00 0.00 54.97 55.61 2jtq s GLU 16 Cb 0.02 0.45 0.02 0.00 0.26 0.00 0.00 34.13 34.87 2jtq s GLU 16 CO 0.81 -0.22 0.51 -3.38 -0.54 0.00 0.00 175.26 172.43 2jtq s HIS 17 N -0.49 0.04 0.43 5.30 -3.43 -0.65 -4.41 115.29 112.07 2jtq s HIS 17 Ca -0.06 -0.40 -0.26 0.00 -0.80 0.00 0.00 55.06 53.55 2jtq s HIS 17 Cb -0.02 0.33 -0.08 0.00 -1.43 0.00 0.00 32.58 31.38 2jtq s HIS 17 CO 0.06 -0.95 1.37 0.08 -2.00 0.00 0.00 174.74 173.30 2jtq s VAL 18 N -3.92 2.32 0.00 -5.38 1.01 -1.26 -0.94 120.40 112.23 2jtq s VAL 18 Ca 0.13 0.29 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2jtq s VAL 18 Cb -0.01 -3.17 -0.16 0.00 0.00 0.00 0.00 36.38 33.05 2jtq s VAL 18 CO 0.01 0.04 2.51 1.67 0.00 0.00 0.00 175.10 179.33 2jtq n GLN 19 N -0.07 1.31 0.00 2.72 7.27 -0.17 -3.57 117.38 124.87 2jtq n GLN 19 Ca 0.05 -0.58 0.00 0.00 0.07 0.00 0.00 57.00 56.53 2jtq n GLN 19 Cb 0.43 -1.72 0.00 0.00 2.41 0.00 0.00 30.24 31.36 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 2.44 0.00 3.33 1.69 0.00 -1.26 -4.99 105.19 106.40 2jtq n GLY 20 Ca 0.25 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 0.83 0.20 4.61 0.00 -1.23 -4.43 121.76 121.73 2jtq s ALA 21 Ca 0.00 -1.50 0.11 0.00 0.00 0.00 0.00 51.96 50.56 2jtq s ALA 21 Cb 0.00 1.30 -0.04 0.00 0.00 0.00 0.00 23.12 24.37 2jtq s ALA 21 CO 0.00 -0.68 -0.22 0.42 0.00 0.00 0.00 175.76 175.28 2jtq s ILE 22 N -3.97 2.20 -0.16 0.00 -1.09 -0.31 -5.00 121.20 112.87 2jtq s ILE 22 Ca 0.34 -2.05 -0.02 0.00 -2.23 0.00 0.00 60.65 56.69 2jtq s ILE 22 Cb 0.04 -2.06 -0.02 0.00 -1.58 0.00 0.00 42.46 38.84 2jtq s ILE 22 CO 0.13 -0.22 -0.07 0.21 -1.23 0.00 0.00 174.94 173.76 2jtq s ASN 23 N -2.78 4.41 -0.30 3.58 3.84 -1.26 -0.64 114.94 121.78 2jtq s ASN 23 Ca 0.20 -0.25 -0.02 0.00 0.21 0.00 0.00 52.86 52.99 2jtq s ASN 23 Cb -0.07 -1.71 0.11 0.00 -0.55 0.00 0.00 41.25 39.04 2jtq s ASN 23 CO 0.09 0.13 0.18 -0.63 -2.79 0.00 0.00 177.10 174.09 2jtq s ILE 24 N 0.58 -0.13 0.72 -5.21 1.01 -0.15 -4.96 121.20 113.07 2jtq s ILE 24 Ca -0.05 -0.83 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 2jtq s ILE 24 Cb -0.15 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.37 2jtq s ILE 24 CO 0.03 -0.70 1.25 -2.16 0.00 0.00 0.00 174.94 173.36 2jtq s PRO 25 N 2.00 2.12 0.32 2.79 0.04 -1.26 -4.04 135.00 136.98 2jtq s PRO 25 Ca 0.10 1.92 0.07 0.00 0.04 0.00 0.00 61.00 63.13 2jtq s PRO 25 Cb -0.16 -1.81 0.75 0.00 0.04 0.00 0.00 34.50 33.32 2jtq s PRO 25 CO -0.30 -1.89 1.81 1.25 0.04 0.00 0.00 177.00 177.91 2jtq h LEU 26 N -0.13 0.76 -1.51 -3.56 5.85 -1.71 0.28 115.31 115.28 2jtq h LEU 26 Ca -0.49 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 2jtq h LEU 26 Cb 1.32 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2jtq h LEU 26 CO 0.50 0.32 -0.05 0.07 -0.34 0.00 0.00 178.44 178.94 2jtq h LYS 27 N 0.76 0.26 0.19 1.25 2.10 -1.89 -3.01 116.57 116.23 2jtq h LYS 27 Ca 0.53 -0.05 -0.34 0.00 -2.00 0.00 0.00 60.65 58.80 2jtq h LYS 27 Cb 0.83 -0.04 0.01 0.00 -0.90 0.00 0.00 32.23 32.13 2jtq h LYS 27 CO -0.31 0.33 -1.66 0.93 -2.00 0.00 0.00 179.45 176.74 2jtq h GLU 28 N 0.25 0.39 -0.73 0.07 5.08 -0.88 -3.39 114.58 115.37 2jtq h GLU 28 Ca 0.06 -0.67 0.08 0.00 -1.00 0.00 0.00 59.36 57.82 2jtq h GLU 28 Cb 0.26 0.25 -0.05 0.00 0.50 0.00 0.00 28.75 29.71 2jtq h GLU 28 CO 0.01 1.32 0.48 -0.24 -1.00 0.00 0.00 179.01 179.58 2jtq h VAL 29 N 0.05 0.98 0.00 3.13 3.04 -0.79 0.29 116.25 122.94 2jtq h VAL 29 Ca -0.33 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 2jtq h VAL 29 Cb 2.06 0.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 2jtq h VAL 29 CO 0.17 0.13 0.00 1.17 -1.01 0.00 0.00 177.57 178.03 2jtq n LYS 30 N -4.49 0.08 0.01 4.17 4.81 -1.22 -1.18 118.16 120.35 2jtq n LYS 30 Ca 0.11 0.20 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 2jtq n LYS 30 Cb 0.28 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.83 2jtq n LYS 30 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2jtq n GLU 31 N -1.24 0.00 0.27 1.64 2.13 0.07 -4.88 120.64 118.63 2jtq n GLU 31 Ca 0.02 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.99 2jtq n GLU 31 Cb 0.03 -0.31 0.74 0.00 0.27 0.00 0.00 31.44 32.17 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 -0.38 5.31 2.43 -0.47 -1.30 114.38 119.97 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 0.56 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.09 2jtq h ARG 32 CO 0.00 0.10 0.25 0.97 -1.51 0.00 0.00 179.97 179.79 2jtq h ILE 33 N 0.00 1.10 -0.88 1.20 6.09 -1.34 -0.92 117.51 122.76 2jtq h ILE 33 Ca -0.00 -0.18 0.01 0.00 -1.37 0.00 0.00 64.86 63.32 2jtq h ILE 33 Cb 0.38 0.54 -0.04 0.00 0.47 0.00 0.00 36.82 38.16 2jtq h ILE 33 CO 0.01 0.10 0.58 0.00 -3.07 0.00 0.00 178.15 175.77 2jtq h ALA 34 N 1.76 1.37 -0.20 0.18 0.00 -1.46 0.26 119.26 121.17 2jtq h ALA 34 Ca 0.14 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 2jtq h ALA 34 Cb -0.06 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.37 2jtq h ALA 34 CO -0.03 0.58 -0.38 1.15 0.00 0.00 0.00 179.25 180.58 2jtq h THR 35 N 1.19 1.33 0.09 0.00 2.02 -1.44 -3.15 112.91 112.94 2jtq h THR 35 Ca 0.32 -1.61 -0.26 0.00 0.77 0.00 0.00 66.41 65.63 2jtq h THR 35 Cb -0.14 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 2jtq h THR 35 CO -0.07 0.50 -1.25 0.00 0.37 0.00 0.00 175.52 175.06 2jtq h ALA 36 N 0.60 0.22 -1.57 6.16 0.00 -0.72 -3.41 119.26 120.54 2jtq h ALA 36 Ca 0.01 -0.96 -0.47 0.00 0.00 0.00 0.00 54.91 53.50 2jtq h ALA 36 Cb 0.98 0.04 -0.34 0.00 0.00 0.00 0.00 17.79 18.46 2jtq h ALA 36 CO 0.08 1.10 -1.00 0.28 0.00 0.00 0.00 179.25 179.71 2jtq n VAL 37 N -3.45 -0.41 0.35 0.00 0.31 0.88 -4.98 118.33 111.03 2jtq n VAL 37 Ca -0.08 -3.63 0.09 0.00 -0.01 0.00 0.00 64.34 60.70 2jtq n VAL 37 Cb 1.01 -0.77 0.38 0.00 -0.91 0.00 0.00 33.84 33.55 2jtq n VAL 37 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jtq n PRO 38 N 1.07 0.10 0.18 5.55 -0.04 -1.19 -3.68 135.00 136.99 2jtq n PRO 38 Ca 0.19 0.40 0.03 0.00 -0.04 0.00 0.00 63.50 64.08 2jtq n PRO 38 Cb 0.59 -1.71 0.37 0.00 -0.04 0.00 0.00 33.50 32.71 2jtq n PRO 38 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2jtq h ASP 39 N 0.00 0.02 0.00 3.54 3.58 -1.93 -3.47 116.42 118.17 2jtq h ASP 39 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2jtq h ASP 39 Cb 0.23 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2jtq h ASP 39 CO 0.00 0.36 0.00 0.29 -2.88 0.00 0.00 179.24 177.01 2jtq n LYS 40 N -4.13 0.00 0.15 0.28 5.02 -1.24 -4.50 118.16 113.74 2jtq n LYS 40 Ca -0.02 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.40 2jtq n LYS 40 Cb 0.38 -2.11 0.47 0.00 -0.02 0.00 0.00 35.03 33.75 2jtq n LYS 40 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2jtq h ASN 41 N 0.00 0.00 -3.75 4.39 -1.24 -1.91 -1.54 115.58 111.53 2jtq h ASN 41 Ca 0.00 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.46 2jtq h ASN 41 Cb 0.00 0.00 0.12 0.00 0.73 0.00 0.00 38.32 39.17 2jtq h ASN 41 CO 0.00 0.00 0.59 -0.67 -1.29 0.00 0.00 177.43 176.06 2jtq n ASP 42 N -2.42 2.93 -4.57 1.15 2.03 -1.26 -4.56 116.55 109.84 2jtq n ASP 42 Ca 0.03 1.11 -0.36 0.00 0.52 0.00 0.00 54.79 56.09 2jtq n ASP 42 Cb 0.32 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.14 2jtq n ASP 42 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jtq s THR 43 N -1.19 3.84 -0.75 5.18 2.01 0.05 -4.32 115.64 120.46 2jtq s THR 43 Ca 0.61 -1.29 -0.26 0.00 0.31 0.00 0.00 61.69 61.06 2jtq s THR 43 Cb -0.48 -4.87 0.02 0.00 0.01 0.00 0.00 72.50 67.18 2jtq s THR 43 CO 0.58 -1.59 1.44 -0.69 -0.69 0.00 0.00 174.62 173.67 2jtq s VAL 44 N 7.05 3.66 0.23 3.82 1.01 -1.23 -1.22 120.40 133.72 2jtq s VAL 44 Ca 0.59 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.48 2jtq s VAL 44 Cb 0.01 -4.71 -0.09 0.00 0.00 0.00 0.00 36.38 31.60 2jtq s VAL 44 CO 0.06 -1.65 0.97 -0.54 0.00 0.00 0.00 175.10 173.94 2jtq s LYS 45 N 5.96 4.80 -0.02 2.72 1.02 -0.11 -1.45 119.74 132.67 2jtq s LYS 45 Ca 0.44 1.53 0.07 0.00 0.02 0.00 0.00 55.97 58.03 2jtq s LYS 45 Cb -0.08 -3.28 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 2jtq s LYS 45 CO 0.13 0.43 -0.22 0.14 -0.92 0.00 0.00 175.35 174.90 2jtq s VAL 46 N -1.00 1.76 0.25 3.17 -7.23 -0.42 -0.61 120.40 116.32 2jtq s VAL 46 Ca 0.42 -0.96 -0.10 0.00 -1.81 0.00 0.00 61.98 59.54 2jtq s VAL 46 Cb -0.27 -1.46 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 2jtq s VAL 46 CO 0.33 0.49 0.41 -0.72 -0.31 0.00 0.00 175.10 175.31 2jtq s TYR 47 N -0.53 0.58 0.00 2.82 1.13 -1.11 -1.05 117.35 119.19 2jtq s TYR 47 Ca 0.09 -0.91 0.00 0.00 -1.41 0.00 0.00 57.07 54.84 2jtq s TYR 47 Cb -0.09 0.03 0.00 0.00 -1.10 0.00 0.00 41.96 40.80 2jtq s TYR 47 CO -0.01 -0.95 0.00 0.00 -2.51 0.00 0.00 175.55 172.09 2jtq h ASN 49 N 0.00 0.68 -5.29 0.00 -0.73 -1.94 -0.70 115.58 107.60 2jtq h ASN 49 Ca 0.00 -0.18 -0.12 0.00 1.87 0.00 0.00 56.30 57.86 2jtq h ASN 49 Cb 0.00 -0.18 -0.14 0.00 0.27 0.00 0.00 38.32 38.28 2jtq h ASN 49 CO 0.00 0.68 -0.44 0.00 -0.37 0.00 0.00 177.43 177.30 2jtq s ALA 50 N -5.49 0.23 -0.31 1.57 0.00 -1.26 -3.86 121.76 112.63 2jtq s ALA 50 Ca -0.13 -1.02 0.21 0.00 0.00 0.00 0.00 51.96 51.03 2jtq s ALA 50 Cb 0.11 0.76 1.08 0.00 0.00 0.00 0.00 23.12 25.07 2jtq s ALA 50 CO 0.77 -0.56 1.65 0.41 0.00 0.00 0.00 175.76 178.03 2jtq n GLY 51 N -0.13 -0.97 0.22 0.00 0.00 -1.25 -3.58 105.19 99.48 2jtq n GLY 51 Ca -0.09 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.37 -0.04 1.61 0.11 -1.98 0.62 114.38 114.32 2jtq h ARG 52 Ca 0.00 0.03 -0.24 0.00 0.10 0.00 0.00 59.98 59.87 2jtq h ARG 52 Cb 0.10 0.09 0.01 0.00 1.11 0.00 0.00 29.97 31.28 2jtq h ARG 52 CO 0.00 -0.25 -0.93 0.37 0.10 0.00 0.00 179.97 179.26 2jtq h GLN 53 N -0.39 0.63 0.00 0.08 4.15 -1.94 -2.30 115.11 115.34 2jtq h GLN 53 Ca 0.01 -0.62 -0.10 0.00 0.77 0.00 0.00 58.65 58.71 2jtq h GLN 53 Cb 0.38 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 2jtq h GLN 53 CO -0.06 1.23 -0.48 0.66 -1.93 0.00 0.00 178.83 178.25 2jtq h SER 54 N 0.38 0.00 -0.21 -0.69 4.64 -1.73 -0.01 113.55 115.93 2jtq h SER 54 Ca -0.09 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 2jtq h SER 54 Cb 1.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.65 2jtq h SER 54 CO 0.18 0.48 -0.03 1.23 -0.87 0.00 0.00 176.83 177.82 2jtq h GLY 55 N 1.49 0.43 1.02 -0.77 0.00 -0.70 0.11 103.07 104.65 2jtq h GLY 55 Ca -0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 2jtq h GLY 55 CO 0.06 0.31 0.59 -1.61 0.00 0.00 0.00 176.54 175.89 2jtq h GLN 56 N 0.13 1.30 -0.77 4.80 5.75 -1.25 -2.42 115.11 122.65 2jtq h GLN 56 Ca 0.06 -0.11 -0.04 0.00 -0.15 0.00 0.00 58.65 58.40 2jtq h GLN 56 Cb 0.46 -0.28 -0.03 0.00 1.07 0.00 0.00 27.48 28.70 2jtq h GLN 56 CO 0.02 0.90 0.31 0.00 -2.65 0.00 0.00 178.83 177.41 2jtq h ALA 57 N 1.32 1.00 -0.59 3.38 0.00 -0.72 -1.40 119.26 122.26 2jtq h ALA 57 Ca 0.35 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.09 2jtq h ALA 57 Cb -0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 2jtq h ALA 57 CO -0.07 0.63 0.37 -0.22 0.00 0.00 0.00 179.25 179.96 2jtq h LYS 58 N 1.12 0.71 -0.18 0.00 3.64 -0.29 -0.01 116.57 121.56 2jtq h LYS 58 Ca 0.26 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2jtq h LYS 58 Cb 0.21 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 2jtq h LYS 58 CO -0.02 0.47 -0.04 1.49 -2.27 0.00 0.00 179.45 179.08 2jtq h GLU 59 N 0.73 0.35 -0.24 1.90 4.57 -1.32 -1.41 114.58 119.17 2jtq h GLU 59 Ca 0.23 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.32 2jtq h GLU 59 Cb -0.01 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 2jtq h GLU 59 CO -0.09 0.61 -0.04 0.82 -1.18 0.00 0.00 179.01 179.14 2jtq h ILE 60 N 0.07 0.78 -0.05 2.32 2.04 -0.90 -0.50 117.51 121.27 2jtq h ILE 60 Ca 0.05 -0.01 -0.13 0.00 1.00 0.00 0.00 64.86 65.77 2jtq h ILE 60 Cb 0.48 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 2jtq h ILE 60 CO 0.02 0.00 -0.54 -0.07 0.00 0.00 0.00 178.15 177.56 2jtq h LEU 61 N 0.02 0.15 -0.72 1.44 3.38 -0.94 -1.14 115.31 117.51 2jtq h LEU 61 Ca 0.11 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2jtq h LEU 61 Cb 0.17 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2jtq h LEU 61 CO -0.23 0.67 0.26 0.28 0.09 0.00 0.00 178.44 179.51 2jtq h SER 62 N 0.11 1.02 0.10 -0.43 0.02 -0.75 -1.94 113.55 111.68 2jtq h SER 62 Ca -0.00 -0.19 -0.08 0.00 -0.84 0.00 0.00 61.79 60.68 2jtq h SER 62 Cb 0.99 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 2jtq h SER 62 CO 0.08 0.94 -0.25 -0.33 -1.14 0.00 0.00 176.83 176.12 2jtq h GLU 63 N 1.05 0.27 0.00 3.45 5.08 -0.59 -1.02 114.58 122.81 2jtq h GLU 63 Ca 0.24 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2jtq h GLU 63 Cb 0.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2jtq h GLU 63 CO -0.01 0.50 0.00 -1.33 -1.00 0.00 0.00 179.01 177.17 2jtq n MET 64 N -4.16 0.33 -0.57 2.33 2.81 -0.48 -4.88 117.12 112.50 2jtq n MET 64 Ca -0.01 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.97 2jtq n MET 64 Cb 0.36 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 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 0.04 0.68 3.72 3.03 0.00 -0.39 -5.04 105.19 107.23 2jtq n GLY 65 Ca 0.09 -0.27 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 3.22 -2.53 1.61 1.51 -0.77 -4.91 117.35 113.48 2jtq s TYR 66 Ca 0.00 1.00 0.23 0.00 -1.01 0.00 0.00 57.07 57.29 2jtq s TYR 66 Cb 0.00 -3.69 0.10 0.00 -0.11 0.00 0.00 41.96 38.26 2jtq s TYR 66 CO 0.00 -2.35 1.17 0.25 -1.11 0.00 0.00 175.55 173.50 2jtq n THR 67 N 3.51 0.00 -2.27 -0.71 -2.24 -0.58 -4.41 114.28 107.58 2jtq n THR 67 Ca 0.10 -0.40 0.02 0.00 -2.27 0.00 0.00 64.05 61.50 2jtq n THR 67 Cb 0.42 1.39 0.01 0.00 -2.10 0.00 0.00 70.33 70.05 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 0.73 0.00 -1.89 4.78 -0.00 -1.25 -5.02 115.22 112.57 2jtq n HIS 68 Ca 0.12 -0.29 -0.39 0.00 0.46 0.00 0.00 57.72 57.62 2jtq n HIS 68 Cb 0.53 -0.08 0.02 0.00 -0.12 0.00 0.00 29.99 30.34 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 0.00 2.29 0.02 3.57 1.01 -1.26 -3.47 120.40 122.55 2jtq s VAL 69 Ca 0.18 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2jtq s VAL 69 Cb 0.21 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.45 2jtq s VAL 69 CO -0.09 0.01 -0.04 -0.70 0.00 0.00 0.00 175.10 174.28 2jtq s GLU 70 N -2.71 0.32 -0.23 2.72 2.56 -0.53 -4.92 118.70 115.90 2jtq s GLU 70 Ca 0.67 -0.49 -0.11 0.00 0.00 0.00 0.00 54.97 55.03 2jtq s GLU 70 Cb -0.39 -0.06 -0.05 0.00 2.00 0.00 0.00 34.13 35.64 2jtq s GLU 70 CO 0.48 -0.00 0.19 1.21 -0.56 0.00 0.00 175.26 176.57 2jtq s ASN 71 N -1.09 6.18 -0.06 -1.70 3.84 -1.26 -1.31 114.94 119.54 2jtq s ASN 71 Ca -0.10 0.19 0.16 0.00 0.21 0.00 0.00 52.86 53.31 2jtq s ASN 71 Cb -0.07 -2.12 0.51 0.00 -0.55 0.00 0.00 41.25 39.01 2jtq s ASN 71 CO -0.00 0.06 1.43 0.00 -2.79 0.00 0.00 177.10 175.80 2jtq n ALA 72 N 4.20 2.59 -0.39 1.71 0.00 -0.22 -4.90 120.51 123.51 2jtq n ALA 72 Ca -0.14 -1.49 0.00 0.00 0.00 0.00 0.00 53.44 51.81 2jtq n ALA 72 Cb 0.52 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.26 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 0.69 2.59 3.31 0.00 0.00 -1.26 -4.57 105.19 105.94 2jtq n GLY 73 Ca 0.19 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 0.56 0.30 -0.02 0.00 -1.26 -3.30 107.32 103.60 2jtq s GLY 74 Ca 0.00 -0.98 0.04 0.00 0.00 0.00 0.00 44.72 43.78 2jtq s GLY 74 CO 0.00 -0.92 1.80 -2.00 0.00 0.00 0.00 173.10 171.97 2jtq h LEU 75 N 2.60 0.83 -0.97 0.66 5.85 -1.23 -0.13 115.31 122.92 2jtq h LEU 75 Ca -0.32 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 2jtq h LEU 75 Cb 1.22 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 2jtq h LEU 75 CO 0.50 0.35 0.40 0.50 -0.34 0.00 0.00 178.44 179.85 2jtq h LYS 76 N 0.84 1.13 0.03 1.25 3.64 -1.85 -2.15 116.57 119.46 2jtq h LYS 76 Ca 0.55 -0.15 -0.23 0.00 -1.27 0.00 0.00 60.65 59.55 2jtq h LYS 76 Cb 0.76 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2jtq h LYS 76 CO -0.34 0.86 -1.01 0.22 -2.27 0.00 0.00 179.45 176.91 2jtq h ASP 77 N 1.12 0.46 -0.15 4.20 3.58 -1.39 -3.32 116.42 120.92 2jtq h ASP 77 Ca 0.28 -0.40 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 2jtq h ASP 77 Cb 0.09 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 40.99 2jtq h ASP 77 CO -0.04 1.22 0.07 0.40 -2.88 0.00 0.00 179.24 178.01 2jtq h ILE 78 N 0.17 1.14 -5.01 2.25 2.04 -1.06 -3.47 117.51 113.58 2jtq h ILE 78 Ca -0.09 -0.41 -0.22 0.00 1.00 0.00 0.00 64.86 65.14 2jtq h ILE 78 Cb 1.67 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 38.81 2jtq h ILE 78 CO 0.17 0.13 -0.32 0.00 0.00 0.00 0.00 178.15 178.13 2jtq n ALA 79 N -2.21 -0.98 -1.51 1.87 0.00 -0.83 -4.98 120.51 111.87 2jtq n ALA 79 Ca -0.05 0.03 -0.29 0.00 0.00 0.00 0.00 53.44 53.13 2jtq n ALA 79 Cb 0.10 -1.55 0.13 0.00 0.00 0.00 0.00 19.45 18.14 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 -5.48 1.28 0.49 0.00 -1.94 -1.26 -5.02 119.30 107.36 2jtq s MET 80 Ca 0.18 0.38 -0.20 0.00 -1.71 0.00 0.00 55.69 54.34 2jtq s MET 80 Cb -0.10 -1.85 -0.11 0.00 2.01 0.00 0.00 34.83 34.78 2jtq s MET 80 CO 0.22 -2.12 0.54 -2.30 -0.01 0.00 0.00 175.02 171.36 2jtq n PRO 81 N -3.73 0.58 -4.65 2.03 -0.02 -1.26 -4.86 135.00 123.09 2jtq n PRO 81 Ca 0.07 0.22 -0.29 0.00 -2.02 0.00 0.00 63.50 61.47 2jtq n PRO 81 Cb 0.58 -1.60 -0.10 0.00 -0.02 0.00 0.00 33.50 32.36 2jtq n PRO 81 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2jtq s LYS 82 N -1.79 2.02 -0.01 -0.52 -0.14 -1.26 -1.00 119.74 117.04 2jtq s LYS 82 Ca 0.65 -2.19 0.03 0.00 -1.36 0.00 0.00 55.97 53.10 2jtq s LYS 82 Cb -0.53 -1.55 -0.01 0.00 -1.68 0.00 0.00 37.83 34.07 2jtq s LYS 82 CO 0.57 -0.16 -0.09 0.08 -0.76 0.00 0.00 175.35 174.99 2jtq s VAL 83 N -2.80 0.69 0.12 3.17 1.01 -0.11 -4.48 120.40 117.99 2jtq s VAL 83 Ca 0.26 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.91 2jtq s VAL 83 Cb 0.07 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 2jtq s VAL 83 CO 0.13 0.18 -0.15 -0.54 0.00 0.00 0.00 175.10 174.73 2jtq s LYS 84 N -0.24 1.03 0.00 2.72 1.02 -1.26 -1.64 119.74 121.36 2jtq s LYS 84 Ca 0.03 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.80 2jtq s LYS 84 Cb -0.04 -0.95 0.00 0.00 -0.52 0.00 0.00 37.83 36.32 2jtq s LYS 84 CO -0.00 0.19 0.39 0.41 -0.92 0.00 0.00 175.35 175.42