#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 1.19 0.06 0.00 1.03 -1.26 -0.64 118.70 119.09 2jtq s GLU 2 Ca 0.00 -0.35 -0.02 0.00 0.03 0.00 0.00 54.97 54.62 2jtq s GLU 2 Cb 0.00 0.55 -0.03 0.00 -0.80 0.00 0.00 34.13 33.85 2jtq s GLU 2 CO 0.00 -0.50 0.01 -1.01 -1.33 0.00 0.00 175.26 172.42 2jtq s HIS 3 N -3.33 0.49 -0.15 4.83 3.76 -0.23 -4.84 115.29 115.82 2jtq s HIS 3 Ca -0.00 -1.01 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 2jtq s HIS 3 Cb -0.01 -0.34 -0.00 0.00 1.11 0.00 0.00 32.58 33.33 2jtq s HIS 3 CO -0.10 -0.42 -0.14 -1.58 -0.85 0.00 0.00 174.74 171.66 2jtq s TRP 4 N -3.92 2.79 -0.25 1.40 0.52 -1.26 -0.89 118.94 117.33 2jtq s TRP 4 Ca 0.08 -0.95 0.01 0.00 0.02 0.00 0.00 56.10 55.25 2jtq s TRP 4 Cb 0.07 -1.89 0.07 0.00 -1.15 0.00 0.00 33.47 30.58 2jtq s TRP 4 CO -0.09 -0.42 -0.01 0.42 0.02 0.00 0.00 176.95 176.86 2jtq s ILE 5 N 0.75 1.42 -0.43 2.03 -1.09 -0.41 -1.60 121.20 121.87 2jtq s ILE 5 Ca -0.06 -1.31 -0.28 0.00 -2.23 0.00 0.00 60.65 56.77 2jtq s ILE 5 Cb -0.15 -1.80 -0.00 0.00 -1.58 0.00 0.00 42.46 38.92 2jtq s ILE 5 CO 0.01 -0.25 1.60 -0.62 -1.23 0.00 0.00 174.94 174.44 2jtq s ASP 6 N 1.42 6.04 0.00 3.58 2.15 0.20 -1.94 116.67 128.12 2jtq s ASP 6 Ca -0.01 0.87 0.27 0.00 0.43 0.00 0.00 52.55 54.10 2jtq s ASP 6 Cb -0.18 -2.53 0.85 0.00 -0.30 0.00 0.00 42.92 40.75 2jtq s ASP 6 CO -0.09 -1.67 1.63 1.33 -0.17 0.00 0.00 175.17 176.19 2jtq n VAL 7 N 7.18 0.00 -0.68 1.11 0.24 0.11 -1.37 118.33 124.92 2jtq n VAL 7 Ca 0.19 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.92 2jtq n VAL 7 Cb 0.48 0.65 0.20 0.00 -1.47 0.00 0.00 33.84 33.69 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 -2.10 0.31 0.47 7.34 3.52 -1.25 -1.69 118.95 125.56 2jtq s ARG 8 Ca 0.34 1.23 -0.24 0.00 -0.13 0.00 0.00 55.73 56.92 2jtq s ARG 8 Cb 0.20 -1.67 -0.07 0.00 -1.56 0.00 0.00 34.95 31.85 2jtq s ARG 8 CO 0.37 -3.01 1.41 0.14 -0.81 0.00 0.00 175.30 173.40 2jtq s VAL 9 N -2.60 2.07 -0.05 7.11 -7.23 -1.26 -4.24 120.40 114.20 2jtq s VAL 9 Ca 0.67 0.06 0.31 0.00 -1.81 0.00 0.00 61.98 61.21 2jtq s VAL 9 Cb -0.23 -3.03 0.36 0.00 0.56 0.00 0.00 36.38 34.03 2jtq s VAL 9 CO 0.60 0.01 1.91 1.55 -0.31 0.00 0.00 175.10 178.86 2jtq h PRO 10 N 2.13 0.00 0.00 4.82 0.13 -1.96 -2.63 132.00 134.49 2jtq h PRO 10 Ca -0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2jtq h PRO 10 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2jtq h PRO 10 CO 0.60 0.00 -0.01 1.49 -0.23 0.00 0.00 178.00 179.85 2jtq h GLU 11 N 0.00 0.00 0.00 0.86 4.57 -2.03 -2.07 114.58 115.91 2jtq h GLU 11 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.96 2jtq h GLU 11 Cb 0.50 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.05 2jtq h GLU 11 CO 0.00 0.01 -2.17 1.04 -1.18 0.00 0.00 179.01 176.70 2jtq n GLN 12 N -3.42 0.67 -0.29 1.92 6.02 -0.99 -4.42 117.38 116.87 2jtq n GLN 12 Ca -0.03 -0.06 0.05 0.00 -0.01 0.00 0.00 57.00 56.94 2jtq n GLN 12 Cb 0.09 -1.54 0.19 0.00 1.02 0.00 0.00 30.24 30.00 2jtq n GLN 12 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 2jtq h TYR 13 N 0.00 0.80 0.00 1.08 3.20 -1.38 -0.04 116.97 120.63 2jtq h TYR 13 Ca -0.32 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.58 2jtq h TYR 13 Cb 1.74 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.78 2jtq h TYR 13 CO 0.00 0.27 0.00 -0.56 -1.64 0.00 0.00 178.16 176.23 2jtq h GLN 14 N 0.70 0.00 0.01 1.82 3.07 -1.75 -3.04 115.11 115.92 2jtq h GLN 14 Ca 0.42 0.00 -0.37 0.00 0.09 0.00 0.00 58.65 58.80 2jtq h GLN 14 Cb 0.49 0.00 -0.07 0.00 0.08 0.00 0.00 27.48 27.98 2jtq h GLN 14 CO -0.30 0.00 -2.32 1.04 0.09 0.00 0.00 178.83 177.34 2jtq n GLN 15 N -2.66 0.68 -3.64 0.06 6.02 -0.09 -2.64 117.38 115.11 2jtq n GLN 15 Ca -0.01 0.08 -0.09 0.00 -0.01 0.00 0.00 57.00 56.96 2jtq n GLN 15 Cb 0.13 -1.56 -0.07 0.00 1.02 0.00 0.00 30.24 29.76 2jtq n GLN 15 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2jtq s GLU 16 N -2.51 0.60 0.14 -1.09 2.12 -0.80 -2.15 118.70 115.00 2jtq s GLU 16 Ca -0.16 0.78 -0.22 0.00 0.36 0.00 0.00 54.97 55.72 2jtq s GLU 16 Cb 0.07 0.25 0.06 0.00 0.26 0.00 0.00 34.13 34.78 2jtq s GLU 16 CO 0.77 -0.08 0.56 -3.38 -0.54 0.00 0.00 175.26 172.59 2jtq s HIS 17 N 0.56 -0.48 0.29 5.30 -3.43 -0.21 -4.20 115.29 113.13 2jtq s HIS 17 Ca -0.01 0.30 -0.29 0.00 -0.80 0.00 0.00 55.06 54.26 2jtq s HIS 17 Cb -0.05 0.48 -0.10 0.00 -1.43 0.00 0.00 32.58 31.48 2jtq s HIS 17 CO -0.07 -0.80 1.36 0.08 -2.00 0.00 0.00 174.74 173.32 2jtq s VAL 18 N -3.54 2.72 0.02 -5.38 1.01 -1.26 -0.99 120.40 112.99 2jtq s VAL 18 Ca 0.00 0.67 -0.34 0.00 0.00 0.00 0.00 61.98 62.31 2jtq s VAL 18 Cb -0.00 -3.42 -0.12 0.00 0.00 0.00 0.00 36.38 32.83 2jtq s VAL 18 CO -0.11 0.13 1.78 1.67 0.00 0.00 0.00 175.10 178.58 2jtq n GLN 19 N 1.54 2.27 -0.64 2.72 0.00 -0.46 -2.09 117.38 120.71 2jtq n GLN 19 Ca 0.03 0.83 0.00 0.00 -0.00 0.00 0.00 57.00 57.86 2jtq n GLN 19 Cb 0.41 -2.66 0.00 0.00 0.00 0.00 0.00 30.24 28.00 2jtq n GLN 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jtq n GLY 20 N 4.07 1.04 3.70 1.69 0.00 -1.26 -4.99 105.19 109.43 2jtq n GLY 20 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.37 1.22 0.21 4.61 0.00 -0.89 -4.87 121.76 118.67 2jtq s ALA 21 Ca 0.00 -0.32 0.07 0.00 0.00 0.00 0.00 51.96 51.71 2jtq s ALA 21 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 2jtq s ALA 21 CO 0.00 -2.63 0.09 0.42 0.00 0.00 0.00 175.76 173.64 2jtq s ILE 22 N -3.01 4.10 -0.12 0.00 -1.09 -0.63 -5.01 121.20 115.45 2jtq s ILE 22 Ca 0.65 -1.40 0.02 0.00 -2.23 0.00 0.00 60.65 57.68 2jtq s ILE 22 Cb -0.18 -3.14 -0.01 0.00 -1.58 0.00 0.00 42.46 37.56 2jtq s ILE 22 CO 0.57 -0.22 -0.18 0.21 -1.23 0.00 0.00 174.94 174.09 2jtq s ASN 23 N -3.36 3.61 -0.28 3.58 3.84 -1.26 -0.63 114.94 120.44 2jtq s ASN 23 Ca 0.31 -0.43 -0.02 0.00 0.21 0.00 0.00 52.86 52.93 2jtq s ASN 23 Cb -0.09 -1.52 0.12 0.00 -0.55 0.00 0.00 41.25 39.21 2jtq s ASN 23 CO 0.22 0.16 0.24 -0.63 -2.79 0.00 0.00 177.10 174.30 2jtq s ILE 24 N 0.36 -0.31 0.69 -5.21 1.01 -0.47 -4.94 121.20 112.33 2jtq s ILE 24 Ca -0.14 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 59.85 2jtq s ILE 24 Cb -0.17 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.38 2jtq s ILE 24 CO 0.07 -0.50 1.20 -2.16 0.00 0.00 0.00 174.94 173.55 2jtq s PRO 25 N 2.29 2.42 0.21 2.79 0.04 -1.26 -4.05 135.00 137.44 2jtq s PRO 25 Ca 0.09 1.74 -0.19 0.00 0.04 0.00 0.00 61.00 62.68 2jtq s PRO 25 Cb -0.15 -1.87 0.19 0.00 0.04 0.00 0.00 34.50 32.71 2jtq s PRO 25 CO -0.31 -1.61 1.57 1.25 0.04 0.00 0.00 177.00 177.93 2jtq h LEU 26 N 0.04 -1.33 -1.72 -3.56 5.85 -1.58 0.20 115.31 113.21 2jtq h LEU 26 Ca -0.48 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 2jtq h LEU 26 Cb 1.29 0.68 -0.01 0.00 0.37 0.00 0.00 40.66 43.00 2jtq h LEU 26 CO 0.52 -0.30 -0.08 0.07 -0.34 0.00 0.00 178.44 178.31 2jtq h LYS 27 N -0.07 0.07 0.12 1.25 2.10 -1.90 -1.96 116.57 116.18 2jtq h LYS 27 Ca 0.30 -0.01 -0.27 0.00 -2.00 0.00 0.00 60.65 58.67 2jtq h LYS 27 Cb 0.58 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2jtq h LYS 27 CO -0.86 0.16 -1.21 0.93 -2.00 0.00 0.00 179.45 176.47 2jtq h GLU 28 N 0.07 0.31 -0.78 0.07 5.08 -1.01 -3.35 114.58 114.96 2jtq h GLU 28 Ca 0.02 -0.49 0.03 0.00 -1.00 0.00 0.00 59.36 57.92 2jtq h GLU 28 Cb 0.20 0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 2jtq h GLU 28 CO 0.01 1.22 0.52 -0.24 -1.00 0.00 0.00 179.01 179.52 2jtq h VAL 29 N 0.10 1.14 0.00 3.13 3.04 -0.25 0.26 116.25 123.65 2jtq h VAL 29 Ca -0.13 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2jtq h VAL 29 Cb 1.93 0.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 2jtq h VAL 29 CO 0.20 0.18 0.00 1.17 -1.01 0.00 0.00 177.57 178.11 2jtq n LYS 30 N -4.45 0.16 0.01 4.17 4.81 -1.18 -1.22 118.16 120.47 2jtq n LYS 30 Ca 0.10 0.12 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2jtq n LYS 30 Cb 0.10 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.65 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 -1.15 0.00 0.28 1.64 1.02 -0.05 -4.85 120.64 117.53 2jtq n GLU 31 Ca 0.04 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.34 2jtq n GLU 31 Cb 0.04 -0.42 0.80 0.00 -0.02 0.00 0.00 31.44 31.84 2jtq n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2jtq h ARG 32 N 0.00 0.00 -0.29 3.49 3.08 -0.53 -1.52 114.38 118.60 2jtq h ARG 32 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2jtq h ARG 32 Cb 0.71 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2jtq h ARG 32 CO 0.00 0.08 0.19 0.97 -1.07 0.00 0.00 179.97 180.13 2jtq h ILE 33 N 0.00 1.08 -0.45 2.04 6.09 -1.36 -0.48 117.51 124.43 2jtq h ILE 33 Ca -0.00 -0.17 -0.04 0.00 -1.37 0.00 0.00 64.86 63.28 2jtq h ILE 33 Cb 0.33 0.66 -0.02 0.00 0.47 0.00 0.00 36.82 38.25 2jtq h ILE 33 CO 0.01 0.08 0.11 0.00 -3.07 0.00 0.00 178.15 175.28 2jtq h ALA 34 N 1.80 1.35 -0.14 0.18 0.00 -1.52 0.24 119.26 121.19 2jtq h ALA 34 Ca 0.11 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 2jtq h ALA 34 Cb -0.03 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.58 2jtq h ALA 34 CO -0.02 0.46 -0.52 1.15 0.00 0.00 0.00 179.25 180.32 2jtq h THR 35 N 0.65 1.34 0.06 0.00 2.02 -1.38 -3.09 112.91 112.50 2jtq h THR 35 Ca 0.15 -1.80 -0.26 0.00 0.77 0.00 0.00 66.41 65.27 2jtq h THR 35 Cb 0.25 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 2jtq h THR 35 CO -0.00 0.55 -1.34 0.00 0.37 0.00 0.00 175.52 175.10 2jtq h ALA 36 N 0.52 0.37 -1.66 6.16 0.00 -0.79 -3.40 119.26 120.45 2jtq h ALA 36 Ca -0.03 -1.07 -0.44 0.00 0.00 0.00 0.00 54.91 53.37 2jtq h ALA 36 Cb 1.15 0.12 -0.36 0.00 0.00 0.00 0.00 17.79 18.70 2jtq h ALA 36 CO 0.11 1.24 -1.09 0.28 0.00 0.00 0.00 179.25 179.79 2jtq n VAL 37 N -3.35 -0.10 0.30 0.00 0.31 0.83 -4.95 118.33 111.37 2jtq n VAL 37 Ca -0.10 -4.07 0.18 0.00 -0.01 0.00 0.00 64.34 60.35 2jtq n VAL 37 Cb 1.01 0.03 0.88 0.00 -0.91 0.00 0.00 33.84 34.85 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 2.99 0.00 -0.02 5.55 0.13 -1.66 -3.05 132.00 135.95 2jtq h PRO 38 Ca 0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.14 2jtq h PRO 38 Cb 1.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2jtq h PRO 38 CO 0.44 0.00 -0.25 0.22 -0.23 0.00 0.00 178.00 178.19 2jtq h ASP 39 N 0.00 0.03 0.00 1.44 3.58 -1.92 -3.47 116.42 116.08 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 0.22 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2jtq h ASP 39 CO 0.00 0.28 0.00 0.29 -2.88 0.00 0.00 179.24 176.93 2jtq n LYS 40 N -4.23 0.00 0.01 0.28 5.02 -1.15 -4.62 118.16 113.46 2jtq n LYS 40 Ca -0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.19 2jtq n LYS 40 Cb 0.31 -3.24 -0.13 0.00 -0.02 0.00 0.00 35.03 31.94 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 0.01 -2.00 4.39 -1.24 -1.91 -2.69 115.58 112.14 2jtq h ASN 41 Ca 0.00 -0.01 -0.63 0.00 0.71 0.00 0.00 56.30 56.37 2jtq h ASN 41 Cb 0.00 -0.00 0.06 0.00 0.73 0.00 0.00 38.32 39.11 2jtq h ASN 41 CO 0.00 1.01 0.60 0.47 -1.29 0.00 0.00 177.43 178.22 2jtq n ASP 42 N -3.16 2.32 -4.74 1.15 8.00 -1.26 -4.50 116.55 114.36 2jtq n ASP 42 Ca -0.11 1.11 -0.38 0.00 0.71 0.00 0.00 54.79 56.12 2jtq n ASP 42 Cb 1.01 -1.31 0.05 0.00 -0.02 0.00 0.00 41.12 40.86 2jtq n ASP 42 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2jtq s THR 43 N 0.61 2.11 -0.28 -3.53 2.01 0.19 -4.64 115.64 112.12 2jtq s THR 43 Ca 0.81 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.89 2jtq s THR 43 Cb -0.81 -3.04 0.09 0.00 0.01 0.00 0.00 72.50 68.75 2jtq s THR 43 CO 0.43 -0.01 0.05 -0.69 -0.69 0.00 0.00 174.62 173.71 2jtq s VAL 44 N -1.36 1.22 -0.87 3.82 1.01 -0.72 -1.06 120.40 122.45 2jtq s VAL 44 Ca 0.76 -1.42 -0.22 0.00 0.00 0.00 0.00 61.98 61.09 2jtq s VAL 44 Cb -0.39 -1.79 0.07 0.00 0.00 0.00 0.00 36.38 34.27 2jtq s VAL 44 CO 0.44 -0.48 1.23 -0.54 0.00 0.00 0.00 175.10 175.75 2jtq s LYS 45 N 1.47 3.42 0.14 2.72 1.02 -0.06 -1.15 119.74 127.30 2jtq s LYS 45 Ca 0.05 -1.07 -0.30 0.00 0.02 0.00 0.00 55.97 54.67 2jtq s LYS 45 Cb -0.18 -4.79 -0.07 0.00 -0.52 0.00 0.00 37.83 32.28 2jtq s LYS 45 CO -0.16 -2.00 0.98 0.14 -0.92 0.00 0.00 175.35 173.39 2jtq s VAL 46 N 4.31 4.33 0.19 3.17 -7.23 -0.54 -1.29 120.40 123.34 2jtq s VAL 46 Ca 0.35 2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 62.44 2jtq s VAL 46 Cb -0.06 -4.28 -0.01 0.00 0.56 0.00 0.00 36.38 32.59 2jtq s VAL 46 CO -0.01 0.34 0.32 -0.72 -0.31 0.00 0.00 175.10 174.72 2jtq s TYR 47 N -0.22 0.47 0.00 2.82 1.13 -0.82 -1.03 117.35 119.70 2jtq s TYR 47 Ca 0.46 -0.81 0.00 0.00 -1.41 0.00 0.00 57.07 55.31 2jtq s TYR 47 Cb -0.25 -0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.57 2jtq s TYR 47 CO 0.31 -0.79 0.00 0.00 -2.51 0.00 0.00 175.55 172.56 2jtq h ASN 49 N 0.00 0.48 0.00 0.00 -0.73 -1.92 -0.62 115.58 112.79 2jtq h ASN 49 Ca 0.00 -0.30 0.00 0.00 1.87 0.00 0.00 56.30 57.87 2jtq h ASN 49 Cb 0.00 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 38.46 2jtq h ASN 49 CO 0.00 0.66 0.00 0.00 -0.37 0.00 0.00 177.43 177.72 2jtq n ALA 50 N -2.35 0.33 0.00 1.57 0.00 -1.26 -1.66 120.51 117.13 2jtq n ALA 50 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2jtq n ALA 50 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 0.13 0.68 0.45 0.00 0.00 -1.23 -2.81 105.19 102.41 2jtq n GLY 51 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.76 0.00 1.61 2.43 -1.97 -0.34 114.38 115.35 2jtq h ARG 52 Ca 0.00 0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.11 2jtq h ARG 52 Cb 0.00 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2jtq h ARG 52 CO 0.00 -0.50 -0.55 0.37 -1.51 0.00 0.00 179.97 177.78 2jtq h GLN 53 N -0.78 0.00 -0.97 0.20 4.15 -1.95 -2.55 115.11 113.20 2jtq h GLN 53 Ca -0.01 0.00 0.03 0.00 0.77 0.00 0.00 58.65 59.44 2jtq h GLN 53 Cb 0.75 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.39 2jtq h GLN 53 CO -0.19 0.55 0.64 0.77 -1.93 0.00 0.00 178.83 178.67 2jtq h SER 54 N 0.00 1.07 -0.13 -0.69 0.02 -1.72 0.16 113.55 112.26 2jtq h SER 54 Ca -0.01 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2jtq h SER 54 Cb 1.07 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2jtq h SER 54 CO 0.07 0.74 0.05 1.23 -1.14 0.00 0.00 176.83 177.78 2jtq h GLY 55 N 1.25 0.21 1.03 -3.77 0.00 -0.64 0.04 103.07 101.19 2jtq h GLY 55 Ca 0.38 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.55 2jtq h GLY 55 CO -0.11 0.11 0.31 -1.61 0.00 0.00 0.00 176.54 175.24 2jtq h GLN 56 N 0.05 1.11 -0.75 4.80 5.75 -1.40 -2.73 115.11 121.93 2jtq h GLN 56 Ca 0.04 -0.19 -0.03 0.00 -0.15 0.00 0.00 58.65 58.32 2jtq h GLN 56 Cb 0.19 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 2jtq h GLN 56 CO -0.00 0.90 0.34 0.00 -2.65 0.00 0.00 178.83 177.41 2jtq h ALA 57 N 1.15 1.18 -0.31 3.38 0.00 -0.73 -1.62 119.26 122.32 2jtq h ALA 57 Ca 0.25 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2jtq h ALA 57 Cb 0.19 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2jtq h ALA 57 CO -0.02 0.61 0.16 -0.22 0.00 0.00 0.00 179.25 179.78 2jtq h LYS 58 N 1.07 0.32 -0.13 0.00 3.64 -0.67 0.12 116.57 120.93 2jtq h LYS 58 Ca 0.26 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.45 2jtq h LYS 58 Cb 0.14 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2jtq h LYS 58 CO -0.03 0.21 -0.64 0.93 -2.27 0.00 0.00 179.45 177.66 2jtq h GLU 59 N 0.33 0.47 -0.25 1.90 4.39 -1.42 -0.92 114.58 119.09 2jtq h GLU 59 Ca 0.13 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.50 2jtq h GLU 59 Cb 0.04 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2jtq h GLU 59 CO -0.08 0.96 0.14 0.82 -1.16 0.00 0.00 179.01 179.68 2jtq h ILE 60 N 0.35 1.03 0.00 3.13 2.04 -1.01 -0.17 117.51 122.87 2jtq h ILE 60 Ca -0.01 -0.10 -0.12 0.00 1.00 0.00 0.00 64.86 65.63 2jtq h ILE 60 Cb 1.19 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2jtq h ILE 60 CO 0.11 0.05 -0.56 -0.07 0.00 0.00 0.00 178.15 177.69 2jtq h LEU 61 N 0.30 0.00 -0.60 1.44 3.38 -0.79 -0.94 115.31 118.10 2jtq h LEU 61 Ca 0.10 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 2jtq h LEU 61 Cb -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2jtq h LEU 61 CO -0.05 0.56 0.08 0.28 0.09 0.00 0.00 178.44 179.40 2jtq h SER 62 N 0.00 0.97 -0.52 -0.43 0.02 -0.90 -2.23 113.55 110.45 2jtq h SER 62 Ca -0.01 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 2jtq h SER 62 Cb 1.10 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.36 2jtq h SER 62 CO 0.07 0.99 0.20 -0.08 -1.14 0.00 0.00 176.83 176.88 2jtq h GLU 63 N 0.91 0.83 0.00 3.45 4.81 -0.66 -1.10 114.58 122.81 2jtq h GLU 63 Ca 0.18 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2jtq h GLU 63 Cb 0.45 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2jtq h GLU 63 CO 0.01 0.70 0.00 -1.33 -0.73 0.00 0.00 179.01 177.67 2jtq n MET 64 N -4.31 0.29 -0.78 1.92 2.81 -0.39 -4.88 117.12 111.78 2jtq n MET 64 Ca 0.05 0.10 0.00 0.00 -1.81 0.00 0.00 57.70 56.04 2jtq n MET 64 Cb 0.18 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 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 -0.05 0.56 3.76 3.03 0.00 -0.42 -5.04 105.19 107.04 2jtq n GLY 65 Ca 0.08 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 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 3.16 -1.28 1.61 1.51 -0.88 -4.95 117.35 114.51 2jtq s TYR 66 Ca 0.00 1.39 0.20 0.00 -1.01 0.00 0.00 57.07 57.64 2jtq s TYR 66 Cb 0.00 -3.62 -0.13 0.00 -0.11 0.00 0.00 41.96 38.10 2jtq s TYR 66 CO 0.00 -1.74 0.89 0.25 -1.11 0.00 0.00 175.55 173.84 2jtq n THR 67 N 1.33 0.00 -2.60 -0.71 -2.24 -1.01 -4.34 114.28 104.71 2jtq n THR 67 Ca 0.02 -0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.59 2jtq n THR 67 Cb 0.42 1.09 0.04 0.00 -2.10 0.00 0.00 70.33 69.79 2jtq n THR 67 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2jtq n HIS 68 N -0.90 1.65 -1.88 4.78 8.25 -1.26 -5.06 115.22 120.80 2jtq n HIS 68 Ca 0.05 -2.13 -0.41 0.00 -0.26 0.00 0.00 57.72 54.97 2jtq n HIS 68 Cb 0.35 -0.26 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 2jtq n HIS 68 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jtq s VAL 69 N -3.97 2.22 -0.03 1.59 1.01 -1.26 -1.75 120.40 118.21 2jtq s VAL 69 Ca 0.34 0.22 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 2jtq s VAL 69 Cb 0.35 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.62 2jtq s VAL 69 CO -0.02 0.05 0.04 -0.70 0.00 0.00 0.00 175.10 174.47 2jtq s GLU 70 N -1.85 0.02 0.08 2.72 2.12 -0.30 -4.87 118.70 116.62 2jtq s GLU 70 Ca 0.53 0.24 -0.30 0.00 0.36 0.00 0.00 54.97 55.80 2jtq s GLU 70 Cb -0.45 -0.41 -0.06 0.00 0.26 0.00 0.00 34.13 33.47 2jtq s GLU 70 CO 0.59 -0.23 1.12 1.21 -0.54 0.00 0.00 175.26 177.41 2jtq s ASN 71 N 1.52 7.20 -0.13 -1.70 3.84 -1.26 -1.47 114.94 122.93 2jtq s ASN 71 Ca -0.03 1.96 0.15 0.00 0.21 0.00 0.00 52.86 55.15 2jtq s ASN 71 Cb -0.13 -2.58 0.32 0.00 -0.55 0.00 0.00 41.25 38.31 2jtq s ASN 71 CO -0.03 -0.35 1.16 0.00 -2.79 0.00 0.00 177.10 175.09 2jtq n ALA 72 N 3.47 2.74 -0.78 1.71 0.00 -0.19 -4.89 120.51 122.56 2jtq n ALA 72 Ca 0.06 -2.67 0.00 0.00 0.00 0.00 0.00 53.44 50.84 2jtq n ALA 72 Cb 0.47 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 3.29 3.82 0.00 0.00 -1.26 -4.76 105.19 105.28 2jtq n GLY 73 Ca 0.14 -0.13 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.01 0.57 -0.02 0.00 -1.12 -2.71 107.32 104.03 2jtq s GLY 74 Ca 0.00 -0.30 0.27 0.00 0.00 0.00 0.00 44.72 44.69 2jtq s GLY 74 CO 0.00 0.13 2.04 1.41 0.00 0.00 0.00 173.10 176.69 2jtq h LEU 75 N 2.00 0.00 -1.27 0.66 3.38 -0.16 0.13 115.31 120.04 2jtq h LEU 75 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2jtq h LEU 75 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 2jtq h LEU 75 CO 0.29 0.00 0.00 0.29 0.09 0.00 0.00 178.44 179.11 2jtq n LYS 76 N -4.01 1.81 0.00 1.13 4.76 -0.69 -3.86 118.16 117.30 2jtq n LYS 76 Ca 0.05 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.26 2jtq n LYS 76 Cb 0.44 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.35 2jtq n LYS 76 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2jtq n ASP 77 N 0.49 2.52 -4.71 4.39 2.03 0.23 -5.05 116.55 116.46 2jtq n ASP 77 Ca 0.11 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.04 2jtq n ASP 77 Cb 0.30 0.26 0.05 0.00 -0.72 0.00 0.00 41.12 41.01 2jtq n ASP 77 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2jtq n ILE 78 N -1.24 3.96 -3.13 5.18 5.41 0.03 -4.97 119.36 124.59 2jtq n ILE 78 Ca 0.00 -0.50 -0.20 0.00 1.00 0.00 0.00 62.75 63.05 2jtq n ILE 78 Cb 0.24 -1.49 -0.03 0.00 -0.71 0.00 0.00 39.64 37.65 2jtq n ILE 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jtq n ALA 79 N -1.32 2.65 -2.12 -1.39 0.00 -1.26 -4.92 120.51 112.15 2jtq n ALA 79 Ca 0.12 -3.71 -0.08 0.00 0.00 0.00 0.00 53.44 49.77 2jtq n ALA 79 Cb 0.45 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.92 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 -2.64 0.73 0.68 0.00 1.00 -1.26 -5.15 119.30 112.67 2jtq s MET 80 Ca 0.42 -1.30 -0.17 0.00 0.00 0.00 0.00 55.69 54.64 2jtq s MET 80 Cb 0.33 0.19 0.01 0.00 0.00 0.00 0.00 34.83 35.36 2jtq s MET 80 CO -0.09 -0.16 1.28 -1.25 0.00 0.00 0.00 175.02 174.80 2jtq s PRO 81 N -3.96 2.36 0.18 2.03 0.04 -1.26 -4.91 135.00 129.48 2jtq s PRO 81 Ca 0.13 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.23 2jtq s PRO 81 Cb 0.08 -1.83 -0.05 0.00 0.04 0.00 0.00 34.50 32.74 2jtq s PRO 81 CO -0.06 -1.73 -0.08 0.15 0.04 0.00 0.00 177.00 175.33 2jtq s LYS 82 N -3.53 1.18 0.01 4.56 1.02 -1.26 -1.36 119.74 120.37 2jtq s LYS 82 Ca 0.81 -1.54 0.06 0.00 0.02 0.00 0.00 55.97 55.32 2jtq s LYS 82 Cb -0.36 -0.69 -0.02 0.00 -0.52 0.00 0.00 37.83 36.24 2jtq s LYS 82 CO 0.42 0.04 -0.17 0.08 -0.92 0.00 0.00 175.35 174.79 2jtq s VAL 83 N -3.30 1.39 0.10 3.17 1.01 -0.16 -4.67 120.40 117.94 2jtq s VAL 83 Ca 0.21 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.23 2jtq s VAL 83 Cb 0.03 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 2jtq s VAL 83 CO 0.04 0.25 0.11 -0.54 0.00 0.00 0.00 175.10 174.96 2jtq s LYS 84 N -0.77 0.85 0.00 2.72 1.02 -1.26 -1.04 119.74 121.26 2jtq s LYS 84 Ca 0.06 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.87 2jtq s LYS 84 Cb -0.07 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 2jtq s LYS 84 CO 0.00 -0.25 0.41 0.41 -0.92 0.00 0.00 175.35 175.01