#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 0.60 0.13 0.00 2.12 -1.26 -1.21 118.70 119.08 2jtq s GLU 2 Ca 0.00 0.33 -0.01 0.00 0.36 0.00 0.00 54.97 55.65 2jtq s GLU 2 Cb 0.00 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.63 2jtq s GLU 2 CO 0.00 -0.12 0.05 -1.01 -0.54 0.00 0.00 175.26 173.64 2jtq s HIS 3 N -0.36 0.84 -0.12 5.30 3.76 0.05 -4.85 115.29 119.90 2jtq s HIS 3 Ca -0.05 -1.22 -0.00 0.00 -0.15 0.00 0.00 55.06 53.63 2jtq s HIS 3 Cb -0.03 -0.47 0.03 0.00 1.11 0.00 0.00 32.58 33.21 2jtq s HIS 3 CO 0.03 -0.51 -0.07 -1.58 -0.85 0.00 0.00 174.74 171.76 2jtq s TRP 4 N -4.04 1.47 -0.32 1.40 0.52 -1.26 -0.80 118.94 115.91 2jtq s TRP 4 Ca 0.23 -0.76 0.02 0.00 0.02 0.00 0.00 56.10 55.62 2jtq s TRP 4 Cb 0.07 -1.22 0.10 0.00 -1.15 0.00 0.00 33.47 31.27 2jtq s TRP 4 CO 0.01 -0.52 0.06 0.42 0.02 0.00 0.00 176.95 176.94 2jtq s ILE 5 N 1.71 1.80 0.19 2.03 -1.09 -0.27 -1.22 121.20 124.35 2jtq s ILE 5 Ca 0.04 -1.99 -0.32 0.00 -2.23 0.00 0.00 60.65 56.16 2jtq s ILE 5 Cb -0.13 -2.32 -0.11 0.00 -1.58 0.00 0.00 42.46 38.32 2jtq s ILE 5 CO -0.08 -0.59 1.69 -0.62 -1.23 0.00 0.00 174.94 174.11 2jtq s ASP 6 N 1.15 6.43 0.00 3.58 2.15 0.12 -3.86 116.67 126.25 2jtq s ASP 6 Ca 0.10 2.80 0.14 0.00 0.43 0.00 0.00 52.55 56.01 2jtq s ASP 6 Cb -0.18 -2.60 0.22 0.00 -0.30 0.00 0.00 42.92 40.06 2jtq s ASP 6 CO -0.13 -0.94 1.09 1.33 -0.17 0.00 0.00 175.17 176.35 2jtq n VAL 7 N 4.04 0.41 -0.63 1.11 0.24 -0.31 -1.22 118.33 121.97 2jtq n VAL 7 Ca 0.16 -0.71 -0.30 0.00 -2.04 0.00 0.00 64.34 61.45 2jtq n VAL 7 Cb 0.36 0.96 0.21 0.00 -1.47 0.00 0.00 33.84 33.90 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 -1.09 0.08 0.48 7.34 3.52 -1.25 -2.11 118.95 125.93 2jtq s ARG 8 Ca 0.21 1.21 -0.24 0.00 -0.13 0.00 0.00 55.73 56.78 2jtq s ARG 8 Cb 0.13 -1.64 -0.07 0.00 -1.56 0.00 0.00 34.95 31.80 2jtq s ARG 8 CO 0.18 -3.16 1.38 1.33 -0.81 0.00 0.00 175.30 174.22 2jtq n VAL 9 N -4.57 3.16 0.30 7.11 0.24 -1.26 -4.13 118.33 119.18 2jtq n VAL 9 Ca 0.08 -0.50 0.15 0.00 -2.04 0.00 0.00 64.34 62.03 2jtq n VAL 9 Cb 0.53 -1.74 0.51 0.00 -1.47 0.00 0.00 33.84 31.67 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 1.93 0.00 -0.53 7.34 0.13 -1.97 -2.86 132.00 136.04 2jtq h PRO 10 Ca -0.50 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 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 0.00 0.30 0.93 -0.23 0.00 0.00 178.00 179.59 2jtq h GLU 11 N 0.00 0.72 0.01 0.86 5.08 -1.99 -2.62 114.58 116.64 2jtq h GLU 11 Ca 0.00 -0.07 -0.22 0.00 -1.00 0.00 0.00 59.36 58.07 2jtq h GLU 11 Cb 0.64 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2jtq h GLU 11 CO 0.00 0.53 -1.08 1.96 -1.00 0.00 0.00 179.01 179.42 2jtq h GLN 12 N 0.73 0.02 -0.70 2.33 4.20 -1.88 -3.13 115.11 116.69 2jtq h GLN 12 Ca 0.19 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.89 2jtq h GLN 12 Cb 0.01 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 27.77 2jtq h GLN 12 CO -0.03 0.98 0.46 -0.92 -0.67 0.00 0.00 178.83 178.64 2jtq h TYR 13 N 0.01 0.81 0.00 2.96 3.20 -1.55 -0.13 116.97 122.27 2jtq h TYR 13 Ca -0.04 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2jtq h TYR 13 Cb 1.81 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 39.81 2jtq h TYR 13 CO 0.01 0.47 0.00 1.04 -1.64 0.00 0.00 178.16 178.04 2jtq n GLN 14 N -4.46 0.63 -0.08 1.82 6.02 -1.02 -3.24 117.38 117.05 2jtq n GLN 14 Ca 0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.92 2jtq n GLN 14 Cb 0.13 -1.48 -0.06 0.00 1.02 0.00 0.00 30.24 29.85 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 -0.98 0.36 -3.63 -1.09 1.13 -0.14 -4.11 117.38 108.93 2jtq n GLN 15 Ca 0.14 0.13 -0.16 0.00 -1.94 0.00 0.00 57.00 55.18 2jtq n GLN 15 Cb 0.07 -1.16 -0.07 0.00 0.11 0.00 0.00 30.24 29.18 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 -2.30 0.85 0.13 -1.09 2.12 -0.72 -1.08 118.70 116.62 2jtq s GLU 16 Ca -0.22 0.29 -0.14 0.00 0.36 0.00 0.00 54.97 55.26 2jtq s GLU 16 Cb 0.08 0.40 0.02 0.00 0.26 0.00 0.00 34.13 34.89 2jtq s GLU 16 CO 0.31 -0.22 0.37 -3.38 -0.54 0.00 0.00 175.26 171.81 2jtq s HIS 17 N -0.81 -0.07 0.29 5.30 -3.43 -0.45 -4.07 115.29 112.05 2jtq s HIS 17 Ca -0.09 -0.27 -0.30 0.00 -0.80 0.00 0.00 55.06 53.61 2jtq s HIS 17 Cb -0.03 0.20 -0.11 0.00 -1.43 0.00 0.00 32.58 31.21 2jtq s HIS 17 CO 0.06 -0.71 1.51 0.08 -2.00 0.00 0.00 174.74 173.67 2jtq s VAL 18 N -3.84 2.30 -0.11 -5.38 1.01 -1.26 -1.03 120.40 112.08 2jtq s VAL 18 Ca 0.06 0.26 -0.35 0.00 0.00 0.00 0.00 61.98 61.95 2jtq s VAL 18 Cb 0.02 -3.17 -0.13 0.00 0.00 0.00 0.00 36.38 33.11 2jtq s VAL 18 CO -0.09 0.05 1.84 1.67 0.00 0.00 0.00 175.10 178.56 2jtq n GLN 19 N 1.87 1.98 -0.52 2.72 7.27 -0.33 -1.81 117.38 128.56 2jtq n GLN 19 Ca 0.06 0.73 0.00 0.00 0.07 0.00 0.00 57.00 57.86 2jtq n GLN 19 Cb 0.39 -2.54 0.00 0.00 2.41 0.00 0.00 30.24 30.50 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 4.30 1.48 3.78 1.69 0.00 -1.26 -5.02 105.19 110.17 2jtq n GLY 20 Ca 0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.34 2.77 0.58 4.61 0.00 -0.75 -4.91 121.76 120.72 2jtq s ALA 21 Ca 0.00 0.78 -0.06 0.00 0.00 0.00 0.00 51.96 52.68 2jtq s ALA 21 Cb 0.00 -3.34 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 2jtq s ALA 21 CO 0.00 -0.64 0.90 0.42 0.00 0.00 0.00 175.76 176.44 2jtq s ILE 22 N -1.79 3.93 -0.05 0.00 -1.09 -0.36 -4.94 121.20 116.89 2jtq s ILE 22 Ca 0.70 0.12 0.02 0.00 -2.23 0.00 0.00 60.65 59.26 2jtq s ILE 22 Cb -0.23 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 2jtq s ILE 22 CO 0.26 -0.58 -0.11 0.21 -1.23 0.00 0.00 174.94 173.49 2jtq s ASN 23 N -4.27 1.59 -0.12 3.58 3.84 -1.26 -0.71 114.94 117.59 2jtq s ASN 23 Ca 0.53 -0.26 -0.04 0.00 0.21 0.00 0.00 52.86 53.30 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 0.46 0.04 0.14 -0.63 -2.79 0.00 0.00 177.10 174.31 2jtq s ILE 24 N 0.58 -0.21 0.63 -5.21 1.01 -0.36 -4.93 121.20 112.70 2jtq s ILE 24 Ca -0.12 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.51 2jtq s ILE 24 Cb -0.14 -0.41 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 2jtq s ILE 24 CO 0.03 -0.01 1.25 -2.16 0.00 0.00 0.00 174.94 174.04 2jtq s PRO 25 N 2.24 2.72 0.32 2.79 0.04 -1.26 -4.10 135.00 137.76 2jtq s PRO 25 Ca 0.04 1.95 0.07 0.00 0.04 0.00 0.00 61.00 63.10 2jtq s PRO 25 Cb -0.14 -1.88 0.78 0.00 0.04 0.00 0.00 34.50 33.30 2jtq s PRO 25 CO -0.07 -1.44 1.79 1.25 0.04 0.00 0.00 177.00 178.57 2jtq h LEU 26 N 0.66 0.75 -0.96 -3.56 5.85 -1.68 0.12 115.31 116.49 2jtq h LEU 26 Ca -0.51 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.35 2jtq h LEU 26 Cb 1.32 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.24 2jtq h LEU 26 CO 0.54 0.27 0.62 0.50 -0.34 0.00 0.00 178.44 180.03 2jtq h LYS 27 N 0.73 1.15 0.11 1.25 3.64 -1.89 -3.01 116.57 118.55 2jtq h LYS 27 Ca 0.57 -0.07 -0.31 0.00 -1.27 0.00 0.00 60.65 59.57 2jtq h LYS 27 Cb 0.92 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2jtq h LYS 27 CO -0.35 0.76 -1.57 0.93 -2.27 0.00 0.00 179.45 176.95 2jtq h GLU 28 N 1.19 0.22 -0.56 1.90 5.08 -1.17 -3.37 114.58 117.88 2jtq h GLU 28 Ca 0.39 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 2jtq h GLU 28 Cb 0.04 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2jtq h GLU 28 CO -0.13 1.07 0.37 -0.24 -1.00 0.00 0.00 179.01 179.07 2jtq h VAL 29 N 0.06 1.10 0.00 3.13 3.04 -0.96 0.17 116.25 122.79 2jtq h VAL 29 Ca -0.26 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2jtq h VAL 29 Cb 2.01 0.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2jtq h VAL 29 CO 0.15 0.13 0.00 1.17 -1.01 0.00 0.00 177.57 178.01 2jtq n LYS 30 N -4.46 0.03 -0.05 4.17 4.81 -1.19 -0.56 118.16 120.91 2jtq n LYS 30 Ca 0.06 0.48 -0.11 0.00 -0.87 0.00 0.00 58.31 57.87 2jtq n LYS 30 Cb 0.10 -1.60 -0.04 0.00 0.02 0.00 0.00 35.03 33.51 2jtq n LYS 30 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jtq n GLU 31 N -1.67 0.21 0.28 1.64 -0.58 -0.21 -4.80 120.64 115.51 2jtq n GLU 31 Ca 0.00 0.09 0.17 0.00 -0.42 0.00 0.00 57.16 57.00 2jtq n GLU 31 Cb 0.04 -0.85 0.73 0.00 -0.57 0.00 0.00 31.44 30.79 2jtq n GLU 31 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jtq h ARG 32 N -0.36 0.00 -0.32 3.49 3.08 -0.46 -2.02 114.38 117.79 2jtq h ARG 32 Ca -0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2jtq h ARG 32 Cb 1.21 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.24 2jtq h ARG 32 CO -0.15 0.05 0.20 0.97 -1.07 0.00 0.00 179.97 179.97 2jtq h ILE 33 N 0.00 1.09 -0.22 2.04 6.09 -1.05 0.19 117.51 125.64 2jtq h ILE 33 Ca -0.00 -0.18 -0.01 0.00 -1.37 0.00 0.00 64.86 63.31 2jtq h ILE 33 Cb 0.46 0.63 -0.01 0.00 0.47 0.00 0.00 36.82 38.36 2jtq h ILE 33 CO 0.01 0.09 0.10 0.00 -3.07 0.00 0.00 178.15 175.27 2jtq h ALA 34 N 1.79 1.76 0.09 0.18 0.00 -1.60 0.24 119.26 121.72 2jtq h ALA 34 Ca 0.12 -0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.66 2jtq h ALA 34 Cb -0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2jtq h ALA 34 CO -0.02 0.20 -1.65 1.79 0.00 0.00 0.00 179.25 179.57 2jtq h THR 35 N 0.30 0.99 0.07 0.00 1.35 -1.50 -3.22 112.91 110.91 2jtq h THR 35 Ca 0.08 -2.70 -0.25 0.00 -0.55 0.00 0.00 66.41 62.98 2jtq h THR 35 Cb 0.05 2.63 -0.01 0.00 -1.73 0.00 0.00 68.15 69.08 2jtq h THR 35 CO -0.01 0.76 -1.20 0.00 -0.25 0.00 0.00 175.52 174.82 2jtq h ALA 36 N 0.55 0.26 -1.85 6.62 0.00 -0.54 -3.40 119.26 120.91 2jtq h ALA 36 Ca -0.28 -0.95 -0.53 0.00 0.00 0.00 0.00 54.91 53.14 2jtq h ALA 36 Cb 2.01 -0.00 -0.37 0.00 0.00 0.00 0.00 17.79 19.43 2jtq h ALA 36 CO 0.13 1.14 -1.05 0.28 0.00 0.00 0.00 179.25 179.75 2jtq n VAL 37 N -3.42 -0.67 0.19 0.00 0.31 0.80 -4.98 118.33 110.55 2jtq n VAL 37 Ca -0.06 -3.75 0.03 0.00 -0.01 0.00 0.00 64.34 60.55 2jtq n VAL 37 Cb 0.99 -1.63 0.38 0.00 -0.91 0.00 0.00 33.84 32.67 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 4.10 0.00 -6.21 5.55 0.13 -1.68 -3.38 132.00 130.51 2jtq h PRO 38 Ca 0.06 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.63 2jtq h PRO 38 Cb 0.90 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.93 2jtq h PRO 38 CO 0.44 0.34 1.09 0.34 -0.23 0.00 0.00 178.00 179.98 2jtq s ASP 39 N -6.94 6.23 0.08 1.44 2.15 -1.26 -4.89 116.67 113.48 2jtq s ASP 39 Ca -0.03 -0.70 0.06 0.00 0.43 0.00 0.00 52.55 52.31 2jtq s ASP 39 Cb 0.15 -2.55 0.31 0.00 -0.30 0.00 0.00 42.92 40.53 2jtq s ASP 39 CO 0.72 -1.73 1.17 0.29 -0.17 0.00 0.00 175.17 175.45 2jtq n LYS 40 N 9.10 0.04 0.21 4.34 5.02 -1.26 -2.09 118.16 133.51 2jtq n LYS 40 Ca 0.08 0.53 0.08 0.00 -2.02 0.00 0.00 58.31 56.99 2jtq n LYS 40 Cb 0.49 -1.62 0.36 0.00 -0.02 0.00 0.00 35.03 34.24 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 -3.25 4.39 -1.24 -1.92 -2.37 115.58 111.19 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 0.00 0.00 0.04 0.00 0.73 0.00 0.00 38.32 39.09 2jtq h ASN 41 CO 0.00 0.27 0.73 -1.81 -1.29 0.00 0.00 177.43 175.34 2jtq s ASP 42 N -6.25 6.75 -0.52 1.15 1.01 -0.89 -4.43 116.67 113.49 2jtq s ASP 42 Ca 0.01 2.52 -0.27 0.00 0.71 0.00 0.00 52.55 55.53 2jtq s ASP 42 Cb 0.10 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2jtq s ASP 42 CO 0.66 -0.65 2.02 -0.89 0.21 0.00 0.00 175.17 176.51 2jtq s THR 43 N 0.36 3.26 -0.60 -1.27 2.01 -0.35 -4.56 115.64 114.49 2jtq s THR 43 Ca 0.61 0.19 -0.28 0.00 0.31 0.00 0.00 61.69 62.51 2jtq s THR 43 Cb -0.40 -3.60 0.03 0.00 0.01 0.00 0.00 72.50 68.54 2jtq s THR 43 CO 0.38 -0.55 1.26 -0.69 -0.69 0.00 0.00 174.62 174.33 2jtq s VAL 44 N 9.56 3.91 0.16 3.82 1.01 -1.02 -0.77 120.40 137.08 2jtq s VAL 44 Ca 0.79 0.77 -0.27 0.00 0.00 0.00 0.00 61.98 63.27 2jtq s VAL 44 Cb -0.16 -4.69 -0.08 0.00 0.00 0.00 0.00 36.38 31.45 2jtq s VAL 44 CO 0.25 -1.38 0.83 -0.54 0.00 0.00 0.00 175.10 174.25 2jtq s LYS 45 N 5.21 4.63 0.02 2.72 1.02 0.02 -1.62 119.74 131.75 2jtq s LYS 45 Ca 0.44 1.24 0.07 0.00 0.02 0.00 0.00 55.97 57.74 2jtq s LYS 45 Cb -0.08 -3.29 -0.02 0.00 -0.52 0.00 0.00 37.83 33.92 2jtq s LYS 45 CO 0.24 0.49 -0.20 0.14 -0.92 0.00 0.00 175.35 175.10 2jtq s VAL 46 N -0.90 1.56 0.20 3.17 -7.23 -0.36 -1.11 120.40 115.73 2jtq s VAL 46 Ca 0.38 -1.02 -0.07 0.00 -1.81 0.00 0.00 61.98 59.46 2jtq s VAL 46 Cb -0.23 -1.34 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 2jtq s VAL 46 CO 0.27 0.28 0.28 -0.72 -0.31 0.00 0.00 175.10 174.91 2jtq s TYR 47 N -0.66 0.64 0.00 2.82 1.13 -1.25 -0.99 117.35 119.04 2jtq s TYR 47 Ca 0.07 -0.96 0.00 0.00 -1.41 0.00 0.00 57.07 54.77 2jtq s TYR 47 Cb -0.08 -0.16 0.00 0.00 -1.10 0.00 0.00 41.96 40.62 2jtq s TYR 47 CO 0.01 -0.76 0.00 0.00 -2.51 0.00 0.00 175.55 172.29 2jtq h ASN 49 N 0.00 0.10 0.00 0.00 -0.73 -1.93 0.42 115.58 113.44 2jtq h ASN 49 Ca 0.00 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.09 2jtq h ASN 49 Cb 0.00 -0.03 0.00 0.00 0.27 0.00 0.00 38.32 38.56 2jtq h ASN 49 CO 0.00 0.15 0.00 0.00 -0.37 0.00 0.00 177.43 177.21 2jtq n ALA 50 N -2.15 0.00 0.00 1.57 0.00 -1.26 -2.66 120.51 116.01 2jtq n ALA 50 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2jtq n ALA 50 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.52 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 1.34 0.38 0.00 0.00 -1.23 -3.84 105.19 101.83 2jtq n GLY 51 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.19 2jtq n GLY 51 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jtq h ARG 52 N 0.00 0.29 0.00 1.61 9.65 -1.96 -1.69 114.38 122.28 2jtq h ARG 52 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 2jtq h ARG 52 Cb 0.00 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.51 2jtq h ARG 52 CO 0.00 0.19 -0.87 0.00 2.80 0.00 0.00 179.97 182.09 2jtq n GLN 53 N -4.45 0.85 0.10 0.20 10.64 -1.26 -4.50 117.38 118.96 2jtq n GLN 53 Ca 0.13 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.29 2jtq n GLN 53 Cb 0.55 -0.94 0.24 0.00 -0.86 0.00 0.00 30.24 29.24 2jtq n GLN 53 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2jtq h SER 54 N 0.00 0.23 -0.24 2.61 4.64 -1.81 -0.44 113.55 118.53 2jtq h SER 54 Ca 0.00 -0.09 0.04 0.00 -0.47 0.00 0.00 61.79 61.27 2jtq h SER 54 Cb 0.00 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 2jtq h SER 54 CO 0.00 0.60 0.03 1.23 -0.87 0.00 0.00 176.83 177.82 2jtq h GLY 55 N 1.19 0.26 1.29 -0.77 0.00 -1.55 -0.33 103.07 103.16 2jtq h GLY 55 Ca 0.02 -0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 2jtq h GLY 55 CO 0.06 -0.02 -0.20 1.46 0.00 0.00 0.00 176.54 177.84 2jtq h GLN 56 N 0.12 0.82 -0.77 4.80 1.08 -1.75 -2.82 115.11 116.58 2jtq h GLN 56 Ca 0.11 -0.32 0.05 0.00 -1.45 0.00 0.00 58.65 57.05 2jtq h GLN 56 Cb 0.13 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 2jtq h GLN 56 CO -0.16 0.95 0.50 0.00 -0.95 0.00 0.00 178.83 179.16 2jtq h ALA 57 N 1.06 1.62 -0.60 3.87 0.00 -0.52 -0.06 119.26 124.62 2jtq h ALA 57 Ca 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2jtq h ALA 57 Cb 0.72 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2jtq h ALA 57 CO 0.06 0.28 0.39 -0.22 0.00 0.00 0.00 179.25 179.75 2jtq h LYS 58 N 0.86 0.80 -0.21 0.00 3.64 -0.81 -0.55 116.57 120.30 2jtq h LYS 58 Ca 0.32 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.60 2jtq h LYS 58 Cb 0.18 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2jtq h LYS 58 CO -0.11 0.54 -0.06 0.93 -2.27 0.00 0.00 179.45 178.49 2jtq h GLU 59 N 0.81 0.40 -0.14 1.90 5.08 -1.26 -1.98 114.58 119.39 2jtq h GLU 59 Ca 0.22 -0.16 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2jtq h GLU 59 Cb -0.07 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2jtq h GLU 59 CO -0.05 0.66 -0.07 0.82 -1.00 0.00 0.00 179.01 179.38 2jtq h ILE 60 N 0.13 0.78 -0.05 3.13 2.04 -0.83 0.25 117.51 122.97 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 0.51 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 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 -0.05 0.15 -0.69 1.44 3.38 -1.10 -0.70 115.31 117.74 2jtq h LEU 61 Ca 0.08 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2jtq h LEU 61 Cb 0.17 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 2jtq h LEU 61 CO -0.18 0.66 0.18 0.28 0.09 0.00 0.00 178.44 179.47 2jtq h SER 62 N 0.10 1.04 0.19 -0.43 0.02 -0.82 -2.01 113.55 111.65 2jtq h SER 62 Ca -0.00 -0.23 -0.09 0.00 -0.84 0.00 0.00 61.79 60.63 2jtq h SER 62 Cb 0.99 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.24 2jtq h SER 62 CO 0.08 1.00 -0.35 -0.33 -1.14 0.00 0.00 176.83 176.09 2jtq h GLU 63 N 1.03 0.24 0.00 3.45 5.08 -0.49 -0.88 114.58 123.01 2jtq h GLU 63 Ca 0.22 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2jtq h GLU 63 Cb 0.36 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2jtq h GLU 63 CO 0.00 0.56 0.00 -1.33 -1.00 0.00 0.00 179.01 177.24 2jtq n MET 64 N -4.08 0.14 -0.65 2.33 2.81 -0.31 -4.88 117.12 112.48 2jtq n MET 64 Ca -0.01 0.19 0.00 0.00 -1.81 0.00 0.00 57.70 56.07 2jtq n MET 64 Cb 0.43 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 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 -0.20 0.62 3.65 3.03 0.00 -0.33 -5.02 105.19 106.94 2jtq n GLY 65 Ca 0.05 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 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 1.81 -0.76 1.61 1.51 -0.79 -4.87 117.35 113.86 2jtq s TYR 66 Ca 0.00 0.17 0.26 0.00 -1.01 0.00 0.00 57.07 56.49 2jtq s TYR 66 Cb 0.00 -3.99 0.91 0.00 -0.11 0.00 0.00 41.96 38.76 2jtq s TYR 66 CO 0.00 -4.00 1.79 0.25 -1.11 0.00 0.00 175.55 172.48 2jtq n THR 67 N 5.87 0.53 -3.88 -0.71 -2.24 -0.89 -4.46 114.28 108.50 2jtq n THR 67 Ca 0.19 -0.15 -0.23 0.00 -2.27 0.00 0.00 64.05 61.59 2jtq n THR 67 Cb 0.43 -0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 67.83 2jtq n THR 67 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2jtq s HIS 68 N -3.11 0.83 0.00 4.78 3.76 -1.25 -5.05 115.29 115.26 2jtq s HIS 68 Ca 0.10 -0.28 -0.04 0.00 -0.15 0.00 0.00 55.06 54.69 2jtq s HIS 68 Cb 0.13 -0.85 -0.01 0.00 1.11 0.00 0.00 32.58 32.96 2jtq s HIS 68 CO 0.55 -0.33 0.08 0.08 -0.85 0.00 0.00 174.74 174.26 2jtq s VAL 69 N 1.71 0.08 0.01 -0.90 1.01 -1.26 -2.43 120.40 118.62 2jtq s VAL 69 Ca 0.02 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.25 2jtq s VAL 69 Cb -0.13 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 2jtq s VAL 69 CO -0.05 -0.38 0.09 -0.70 0.00 0.00 0.00 175.10 174.06 2jtq s GLU 70 N -1.26 0.45 -0.19 2.72 2.56 -0.64 -4.90 118.70 117.43 2jtq s GLU 70 Ca -0.14 -0.50 -0.07 0.00 0.00 0.00 0.00 54.97 54.26 2jtq s GLU 70 Cb -0.08 0.18 -0.04 0.00 2.00 0.00 0.00 34.13 36.19 2jtq s GLU 70 CO 0.01 -0.10 0.06 1.21 -0.56 0.00 0.00 175.26 175.87 2jtq s ASN 71 N -1.50 5.53 -0.07 -1.70 3.84 -1.26 -1.22 114.94 118.55 2jtq s ASN 71 Ca -0.14 0.03 0.14 0.00 0.21 0.00 0.00 52.86 53.10 2jtq s ASN 71 Cb -0.07 -1.95 0.43 0.00 -0.55 0.00 0.00 41.25 39.10 2jtq s ASN 71 CO 0.00 0.14 1.35 0.00 -2.79 0.00 0.00 177.10 175.81 2jtq n ALA 72 N 3.74 2.54 -0.26 1.71 0.00 -0.16 -4.93 120.51 123.15 2jtq n ALA 72 Ca -0.16 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.70 2jtq n ALA 72 Cb 0.52 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.38 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 0.27 2.34 3.49 0.00 0.00 -1.26 -4.68 105.19 105.34 2jtq n GLY 73 Ca 0.16 -0.23 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 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 0.31 0.52 -0.02 0.00 -1.25 -2.73 107.32 104.15 2jtq s GLY 74 Ca 0.00 -0.67 0.20 0.00 0.00 0.00 0.00 44.72 44.25 2jtq s GLY 74 CO 0.00 -0.57 2.06 -2.00 0.00 0.00 0.00 173.10 172.58 2jtq h LEU 75 N 2.33 0.04 -0.78 0.66 5.85 -0.67 0.04 115.31 122.77 2jtq h LEU 75 Ca -0.29 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.35 2jtq h LEU 75 Cb 1.25 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 2jtq h LEU 75 CO 0.40 0.02 -0.05 0.11 -0.34 0.00 0.00 178.44 178.59 2jtq h LYS 76 N 0.04 0.87 0.09 1.25 1.57 -1.81 -3.19 116.57 115.40 2jtq h LYS 76 Ca 0.15 -0.27 -0.28 0.00 -1.87 0.00 0.00 60.65 58.38 2jtq h LYS 76 Cb 0.55 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 2jtq h LYS 76 CO -0.01 0.90 -1.35 0.22 -0.57 0.00 0.00 179.45 178.65 2jtq h ASP 77 N 0.80 0.31 -2.97 0.86 3.58 -1.31 -3.45 116.42 114.23 2jtq h ASP 77 Ca 0.14 -0.38 -0.53 0.00 0.42 0.00 0.00 57.03 56.68 2jtq h ASP 77 Cb 0.54 -0.10 0.04 0.00 1.72 0.00 0.00 39.33 41.54 2jtq h ASP 77 CO 0.03 1.31 0.83 -0.63 -2.88 0.00 0.00 179.24 177.90 2jtq s ILE 78 N -2.65 2.75 -0.16 2.25 1.01 -0.67 -4.92 121.20 118.82 2jtq s ILE 78 Ca -0.05 0.56 0.16 0.00 0.00 0.00 0.00 60.65 61.32 2jtq s ILE 78 Cb 0.07 -3.36 0.33 0.00 0.01 0.00 0.00 42.46 39.52 2jtq s ILE 78 CO 0.86 0.05 1.17 0.00 0.00 0.00 0.00 174.94 177.02 2jtq n ALA 79 N 3.62 2.75 -1.20 9.38 0.00 -1.26 -4.90 120.51 128.89 2jtq n ALA 79 Ca 0.12 -2.86 -0.30 0.00 0.00 0.00 0.00 53.44 50.39 2jtq n ALA 79 Cb 0.40 -0.37 0.12 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.99 1.63 0.56 0.00 -1.94 -1.26 -5.01 119.30 110.29 2jtq s MET 80 Ca 0.34 0.98 -0.21 0.00 -1.71 0.00 0.00 55.69 55.10 2jtq s MET 80 Cb 0.31 -1.84 -0.05 0.00 2.01 0.00 0.00 34.83 35.26 2jtq s MET 80 CO -0.01 -2.03 1.15 -0.35 -0.01 0.00 0.00 175.02 173.77 2jtq n PRO 81 N -3.76 1.28 -4.50 2.03 -0.04 -1.26 -4.89 135.00 123.87 2jtq n PRO 81 Ca 0.08 0.48 -0.25 0.00 -0.04 0.00 0.00 63.50 63.76 2jtq n PRO 81 Cb 0.54 -2.33 -0.10 0.00 -0.04 0.00 0.00 33.50 31.57 2jtq n PRO 81 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jtq s LYS 82 N -2.74 1.85 0.00 0.54 -0.14 -1.26 -1.19 119.74 116.81 2jtq s LYS 82 Ca 0.73 -1.88 0.06 0.00 -1.36 0.00 0.00 55.97 53.52 2jtq s LYS 82 Cb -0.43 -1.76 -0.02 0.00 -1.68 0.00 0.00 37.83 33.94 2jtq s LYS 82 CO 0.49 0.17 -0.18 0.08 -0.76 0.00 0.00 175.35 175.14 2jtq s VAL 83 N -2.58 1.44 0.06 3.17 1.01 -0.20 -4.65 120.40 118.65 2jtq s VAL 83 Ca 0.33 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.47 2jtq s VAL 83 Cb 0.01 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 2jtq s VAL 83 CO 0.17 0.33 -0.11 -0.54 0.00 0.00 0.00 175.10 174.95 2jtq s LYS 84 N -0.63 0.66 0.00 2.72 1.02 -1.26 -1.33 119.74 120.91 2jtq s LYS 84 Ca 0.07 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.20 2jtq s LYS 84 Cb -0.07 -0.52 0.00 0.00 -0.52 0.00 0.00 37.83 36.71 2jtq s LYS 84 CO -0.00 0.11 0.00 0.41 -0.92 0.00 0.00 175.35 174.95