#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 0.67 0.09 0.00 2.12 -1.26 -1.19 118.70 119.13 2jtq s GLU 2 Ca 0.00 0.35 -0.00 0.00 0.36 0.00 0.00 54.97 55.67 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 -0.14 -0.01 -1.01 -0.54 0.00 0.00 175.26 173.55 2jtq s HIS 3 N -0.44 0.71 -0.14 5.30 3.76 -0.05 -4.85 115.29 119.57 2jtq s HIS 3 Ca -0.06 -1.08 0.02 0.00 -0.15 0.00 0.00 55.06 53.79 2jtq s HIS 3 Cb -0.03 -0.45 0.01 0.00 1.11 0.00 0.00 32.58 33.22 2jtq s HIS 3 CO 0.03 -0.37 -0.20 -1.58 -0.85 0.00 0.00 174.74 171.77 2jtq s TRP 4 N -3.89 2.55 -0.26 1.40 0.52 -1.26 -0.67 118.94 117.32 2jtq s TRP 4 Ca 0.13 -1.32 0.02 0.00 0.02 0.00 0.00 56.10 54.95 2jtq s TRP 4 Cb 0.07 -1.76 0.07 0.00 -1.15 0.00 0.00 33.47 30.70 2jtq s TRP 4 CO -0.05 -0.63 -0.06 0.42 0.02 0.00 0.00 176.95 176.65 2jtq s ILE 5 N 0.96 1.87 -0.29 2.03 -1.09 0.03 -1.38 121.20 123.34 2jtq s ILE 5 Ca -0.04 -1.55 -0.29 0.00 -2.23 0.00 0.00 60.65 56.54 2jtq s ILE 5 Cb -0.15 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.60 2jtq s ILE 5 CO -0.04 -0.16 1.69 -0.62 -1.23 0.00 0.00 174.94 174.58 2jtq s ASP 6 N 1.22 6.14 0.00 3.58 2.15 0.52 -2.36 116.67 127.92 2jtq s ASP 6 Ca -0.04 1.41 0.24 0.00 0.43 0.00 0.00 52.55 54.59 2jtq s ASP 6 Cb -0.19 -2.53 0.65 0.00 -0.30 0.00 0.00 42.92 40.55 2jtq s ASP 6 CO -0.07 -1.49 1.51 1.33 -0.17 0.00 0.00 175.17 176.29 2jtq n VAL 7 N 6.96 0.15 -0.77 1.11 0.24 0.03 -1.58 118.33 124.46 2jtq n VAL 7 Ca 0.21 -0.42 -0.30 0.00 -2.04 0.00 0.00 64.34 61.78 2jtq n VAL 7 Cb 0.46 0.79 0.18 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.85 0.58 0.42 7.34 3.52 -1.25 -1.40 118.95 126.30 2jtq s ARG 8 Ca 0.34 1.20 -0.26 0.00 -0.13 0.00 0.00 55.73 56.88 2jtq s ARG 8 Cb 0.20 -1.70 -0.10 0.00 -1.56 0.00 0.00 34.95 31.79 2jtq s ARG 8 CO 0.30 -2.82 1.38 1.33 -0.81 0.00 0.00 175.30 174.68 2jtq n VAL 9 N -4.33 2.51 0.30 7.11 0.24 -1.26 -4.15 118.33 118.76 2jtq n VAL 9 Ca 0.08 -0.50 0.17 0.00 -2.04 0.00 0.00 64.34 62.05 2jtq n VAL 9 Cb 0.53 -1.76 0.73 0.00 -1.47 0.00 0.00 33.84 31.87 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 2.36 0.00 -0.90 7.34 0.13 -1.96 -2.77 132.00 136.20 2jtq h PRO 10 Ca -0.49 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2jtq h PRO 10 Cb 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.36 2jtq h PRO 10 CO 0.61 0.00 0.60 0.93 -0.23 0.00 0.00 178.00 179.91 2jtq h GLU 11 N 0.00 1.18 0.00 0.86 5.08 -2.00 -2.77 114.58 116.93 2jtq h GLU 11 Ca 0.00 -0.07 -0.19 0.00 -1.00 0.00 0.00 59.36 58.10 2jtq h GLU 11 Cb 0.41 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2jtq h GLU 11 CO 0.00 0.78 -0.99 1.96 -1.00 0.00 0.00 179.01 179.76 2jtq h GLN 12 N 1.22 0.00 -0.68 2.33 4.20 -1.86 -3.12 115.11 117.20 2jtq h GLN 12 Ca 0.33 0.00 0.07 0.00 0.06 0.00 0.00 58.65 59.11 2jtq h GLN 12 Cb -0.14 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 2jtq h GLN 12 CO -0.07 0.72 0.45 -0.92 -0.67 0.00 0.00 178.83 178.34 2jtq h TYR 13 N 0.00 0.66 0.00 2.96 3.20 -1.55 -0.90 116.97 121.35 2jtq h TYR 13 Ca -0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2jtq h TYR 13 Cb 1.68 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.73 2jtq h TYR 13 CO 0.00 0.34 0.00 1.04 -1.64 0.00 0.00 178.16 177.90 2jtq n GLN 14 N -4.48 0.69 -0.05 1.82 6.02 -1.12 -3.16 117.38 117.10 2jtq n GLN 14 Ca 0.10 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.01 2jtq n GLN 14 Cb 0.27 -1.45 -0.05 0.00 1.02 0.00 0.00 30.24 30.03 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 -0.95 0.26 -3.63 -1.09 1.13 -0.41 -3.23 117.38 109.47 2jtq n GLN 15 Ca 0.15 0.07 -0.14 0.00 -1.94 0.00 0.00 57.00 55.14 2jtq n GLN 15 Cb 0.07 -1.14 -0.07 0.00 0.11 0.00 0.00 30.24 29.21 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 -2.21 0.84 0.15 -1.09 2.12 -0.82 -1.50 118.70 116.19 2jtq s GLU 16 Ca -0.15 0.98 -0.14 0.00 0.36 0.00 0.00 54.97 56.02 2jtq s GLU 16 Cb 0.04 0.41 0.02 0.00 0.26 0.00 0.00 34.13 34.86 2jtq s GLU 16 CO 0.23 -0.11 0.38 -3.38 -0.54 0.00 0.00 175.26 171.85 2jtq s HIS 17 N 0.33 0.01 0.24 5.30 -3.43 -0.35 -4.16 115.29 113.24 2jtq s HIS 17 Ca -0.00 -0.36 -0.30 0.00 -0.80 0.00 0.00 55.06 53.59 2jtq s HIS 17 Cb -0.05 0.18 -0.10 0.00 -1.43 0.00 0.00 32.58 31.19 2jtq s HIS 17 CO 0.01 -0.75 1.41 0.08 -2.00 0.00 0.00 174.74 173.49 2jtq s VAL 18 N -3.87 2.79 -0.30 -5.38 1.01 -1.26 -0.83 120.40 112.55 2jtq s VAL 18 Ca 0.09 0.66 -0.29 0.00 0.00 0.00 0.00 61.98 62.43 2jtq s VAL 18 Cb 0.02 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 2jtq s VAL 18 CO -0.06 0.10 2.26 1.67 0.00 0.00 0.00 175.10 179.07 2jtq n GLN 19 N 2.42 1.63 0.00 2.72 7.27 -0.27 -1.86 117.38 129.28 2jtq n GLN 19 Ca 0.07 0.39 0.00 0.00 0.07 0.00 0.00 57.00 57.53 2jtq n GLN 19 Cb 0.41 -3.11 0.00 0.00 2.41 0.00 0.00 30.24 29.95 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 5.97 0.75 3.89 1.69 0.00 -1.26 -4.97 105.19 111.26 2jtq n GLY 20 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.00 2.90 0.14 4.61 0.00 -0.78 -4.77 121.76 121.86 2jtq s ALA 21 Ca 0.00 -0.42 0.03 0.00 0.00 0.00 0.00 51.96 51.57 2jtq s ALA 21 Cb 0.00 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 2jtq s ALA 21 CO 0.00 -1.18 0.20 0.42 0.00 0.00 0.00 175.76 175.20 2jtq s ILE 22 N -3.35 4.93 -0.13 0.00 -1.09 -0.48 -4.99 121.20 116.08 2jtq s ILE 22 Ca 0.58 -0.83 -0.02 0.00 -2.23 0.00 0.00 60.65 58.16 2jtq s ILE 22 Cb -0.11 -3.51 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 2jtq s ILE 22 CO 0.51 -0.06 -0.07 0.21 -1.23 0.00 0.00 174.94 174.29 2jtq s ASN 23 N -3.06 4.50 -0.21 3.58 3.84 -1.26 -0.36 114.94 121.97 2jtq s ASN 23 Ca 0.33 -0.18 -0.04 0.00 0.21 0.00 0.00 52.86 53.18 2jtq s ASN 23 Cb -0.11 -1.62 0.10 0.00 -0.55 0.00 0.00 41.25 39.07 2jtq s ASN 23 CO 0.26 0.20 0.25 -0.63 -2.79 0.00 0.00 177.10 174.39 2jtq s ILE 24 N 0.17 -0.38 0.65 -5.21 1.01 -0.61 -4.95 121.20 111.89 2jtq s ILE 24 Ca -0.04 -0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.33 2jtq s ILE 24 Cb -0.14 -0.71 -0.01 0.00 0.01 0.00 0.00 42.46 41.61 2jtq s ILE 24 CO 0.04 -0.19 1.25 -2.16 0.00 0.00 0.00 174.94 173.88 2jtq s PRO 25 N 2.37 2.56 0.28 2.79 0.04 -1.26 -4.07 135.00 137.71 2jtq s PRO 25 Ca 0.08 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.08 2jtq s PRO 25 Cb -0.16 -1.86 0.67 0.00 0.04 0.00 0.00 34.50 33.19 2jtq s PRO 25 CO -0.13 -1.56 1.72 1.25 0.04 0.00 0.00 177.00 178.32 2jtq h LEU 26 N 0.44 0.41 -1.22 -3.56 5.85 -1.48 0.15 115.31 115.89 2jtq h LEU 26 Ca -0.50 0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.27 2jtq h LEU 26 Cb 1.32 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 2jtq h LEU 26 CO 0.53 0.08 -0.39 0.07 -0.34 0.00 0.00 178.44 178.39 2jtq h LYS 27 N 0.48 0.00 0.18 1.25 2.10 -1.88 -2.10 116.57 116.61 2jtq h LYS 27 Ca 0.53 -0.00 -0.30 0.00 -2.00 0.00 0.00 60.65 58.88 2jtq h LYS 27 Cb 0.93 -0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.28 2jtq h LYS 27 CO -0.47 0.39 -1.35 0.93 -2.00 0.00 0.00 179.45 176.95 2jtq h GLU 28 N 0.00 0.39 -0.94 0.07 5.08 -1.10 -3.38 114.58 114.70 2jtq h GLU 28 Ca -0.00 -0.66 0.13 0.00 -1.00 0.00 0.00 59.36 57.82 2jtq h GLU 28 Cb 0.69 0.25 -0.08 0.00 0.50 0.00 0.00 28.75 30.11 2jtq h GLU 28 CO 0.05 1.32 0.60 -0.24 -1.00 0.00 0.00 179.01 179.74 2jtq h VAL 29 N 0.11 0.88 0.00 3.13 3.04 -0.45 0.28 116.25 123.24 2jtq h VAL 29 Ca -0.19 -0.29 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 2jtq h VAL 29 Cb 2.06 -0.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 2jtq h VAL 29 CO 0.24 0.15 0.00 1.17 -1.01 0.00 0.00 177.57 178.12 2jtq n LYS 30 N -4.59 0.07 -0.00 4.17 4.81 -1.12 -1.01 118.16 120.50 2jtq n LYS 30 Ca 0.18 0.27 -0.01 0.00 -0.87 0.00 0.00 58.31 57.87 2jtq n LYS 30 Cb 0.40 -1.50 -0.00 0.00 0.02 0.00 0.00 35.03 33.95 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 -1.36 0.02 0.25 1.64 2.13 -0.13 -4.84 120.64 118.36 2jtq n GLU 31 Ca 0.03 0.01 0.14 0.00 0.66 0.00 0.00 57.16 58.00 2jtq n GLU 31 Cb 0.07 -0.55 0.47 0.00 0.27 0.00 0.00 31.44 31.71 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 -0.03 0.00 -0.57 5.31 2.43 -0.37 -1.92 114.38 119.23 2jtq h ARG 32 Ca -0.02 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2jtq h ARG 32 Cb 1.02 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.54 2jtq h ARG 32 CO -0.01 0.03 0.38 0.97 -1.51 0.00 0.00 179.97 179.83 2jtq h ILE 33 N 0.00 1.10 0.00 1.20 6.09 -1.27 -1.42 117.51 123.21 2jtq h ILE 33 Ca -0.00 -0.24 -0.01 0.00 -1.37 0.00 0.00 64.86 63.24 2jtq h ILE 33 Cb 0.72 0.33 -0.00 0.00 0.47 0.00 0.00 36.82 38.35 2jtq h ILE 33 CO 0.00 0.13 -0.03 0.00 -3.07 0.00 0.00 178.15 175.18 2jtq h ALA 34 N 1.66 1.76 0.10 0.18 0.00 -1.58 0.29 119.26 121.66 2jtq h ALA 34 Ca 0.22 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.78 2jtq h ALA 34 Cb 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2jtq h ALA 34 CO -0.05 0.04 -1.67 1.15 0.00 0.00 0.00 179.25 178.71 2jtq h THR 35 N 0.00 0.97 0.01 0.00 2.02 -1.47 -3.24 112.91 111.20 2jtq h THR 35 Ca -0.00 -2.67 -0.25 0.00 0.77 0.00 0.00 66.41 64.26 2jtq h THR 35 Cb 0.07 2.63 -0.03 0.00 -1.74 0.00 0.00 68.15 69.08 2jtq h THR 35 CO 0.00 0.77 -1.31 0.00 0.37 0.00 0.00 175.52 175.36 2jtq h ALA 36 N 0.49 0.49 -1.47 6.16 0.00 -0.54 -3.41 119.26 120.98 2jtq h ALA 36 Ca -0.29 -1.13 -0.45 0.00 0.00 0.00 0.00 54.91 53.04 2jtq h ALA 36 Cb 2.02 0.12 -0.33 0.00 0.00 0.00 0.00 17.79 19.60 2jtq h ALA 36 CO 0.13 1.36 -0.96 0.28 0.00 0.00 0.00 179.25 180.05 2jtq n VAL 37 N -3.25 -0.37 0.24 0.00 0.31 0.95 -4.98 118.33 111.22 2jtq n VAL 37 Ca -0.08 -3.50 0.09 0.00 -0.01 0.00 0.00 64.34 60.85 2jtq n VAL 37 Cb 0.99 -0.58 0.62 0.00 -0.91 0.00 0.00 33.84 33.97 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 3.63 0.00 -6.16 5.55 0.13 -1.69 -3.39 132.00 130.07 2jtq h PRO 38 Ca 0.02 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.63 2jtq h PRO 38 Cb 0.95 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.03 2jtq h PRO 38 CO 0.42 0.16 1.23 0.34 -0.23 0.00 0.00 178.00 179.92 2jtq s ASP 39 N -6.51 5.67 0.38 1.44 -1.08 -1.26 -4.89 116.67 110.42 2jtq s ASP 39 Ca -0.03 0.11 0.26 0.00 -0.52 0.00 0.00 52.55 52.37 2jtq s ASP 39 Cb 0.14 -2.54 1.39 0.00 -1.46 0.00 0.00 42.92 40.45 2jtq s ASP 39 CO 0.63 -2.11 1.80 0.11 0.52 0.00 0.00 175.17 176.12 2jtq h LYS 40 N 12.90 0.00 -0.00 4.34 1.57 -1.92 -2.17 116.57 131.28 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 1.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.43 2jtq h LYS 40 CO 1.23 0.00 -0.24 -1.71 -0.57 0.00 0.00 179.45 178.16 2jtq n ASN 41 N -2.42 0.63 -4.77 0.86 5.15 -1.26 -1.20 115.26 112.26 2jtq n ASN 41 Ca -0.01 -0.52 -0.40 0.00 -0.60 0.00 0.00 54.58 53.04 2jtq n ASN 41 Cb 0.06 0.04 -0.01 0.00 -0.53 0.00 0.00 39.78 39.33 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 -2.65 6.59 -0.87 1.20 2.15 -0.82 -4.60 116.67 117.68 2jtq s ASP 42 Ca 0.22 2.70 -0.25 0.00 0.43 0.00 0.00 52.55 55.65 2jtq s ASP 42 Cb 0.19 -2.65 -0.02 0.00 -0.30 0.00 0.00 42.92 40.14 2jtq s ASP 42 CO 0.55 -0.66 1.82 -0.89 -0.17 0.00 0.00 175.17 175.81 2jtq s THR 43 N -1.18 3.53 -0.69 1.71 2.01 -0.33 -4.47 115.64 116.21 2jtq s THR 43 Ca 0.52 -0.32 -0.27 0.00 0.31 0.00 0.00 61.69 61.93 2jtq s THR 43 Cb -0.39 -4.22 0.03 0.00 0.01 0.00 0.00 72.50 67.93 2jtq s THR 43 CO 0.52 -1.15 1.25 -0.69 -0.69 0.00 0.00 174.62 173.86 2jtq s VAL 44 N 8.86 3.82 -0.15 3.82 1.01 -0.96 -0.87 120.40 135.92 2jtq s VAL 44 Ca 0.64 0.53 -0.28 0.00 0.00 0.00 0.00 61.98 62.87 2jtq s VAL 44 Cb -0.06 -4.86 -0.01 0.00 0.00 0.00 0.00 36.38 31.45 2jtq s VAL 44 CO 0.02 -1.70 0.97 -0.54 0.00 0.00 0.00 175.10 173.84 2jtq s LYS 45 N 5.47 4.35 -0.11 2.72 1.02 0.15 -1.67 119.74 131.68 2jtq s LYS 45 Ca 0.37 1.28 -0.02 0.00 0.02 0.00 0.00 55.97 57.62 2jtq s LYS 45 Cb -0.08 -3.57 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 2jtq s LYS 45 CO 0.18 -0.39 -0.01 0.14 -0.92 0.00 0.00 175.35 174.34 2jtq s VAL 46 N 2.33 4.19 0.13 3.17 -7.23 -0.47 -0.79 120.40 121.74 2jtq s VAL 46 Ca 0.45 -0.28 -0.06 0.00 -1.81 0.00 0.00 61.98 60.27 2jtq s VAL 46 Cb -0.17 -2.78 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 2jtq s VAL 46 CO 0.14 0.57 0.18 -0.72 -0.31 0.00 0.00 175.10 174.95 2jtq s TYR 47 N -0.51 0.48 0.00 2.82 1.13 -0.99 -1.25 117.35 119.03 2jtq s TYR 47 Ca 0.09 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.87 2jtq s TYR 47 Cb -0.12 -0.20 0.00 0.00 -1.10 0.00 0.00 41.96 40.54 2jtq s TYR 47 CO 0.02 -0.60 0.00 0.00 -2.51 0.00 0.00 175.55 172.46 2jtq h ASN 49 N 0.00 0.43 0.00 0.00 -0.73 -1.94 -0.42 115.58 112.92 2jtq h ASN 49 Ca 0.00 -0.27 0.00 0.00 1.87 0.00 0.00 56.30 57.90 2jtq h ASN 49 Cb 0.00 -0.11 0.00 0.00 0.27 0.00 0.00 38.32 38.48 2jtq h ASN 49 CO 0.00 0.59 -0.13 0.00 -0.37 0.00 0.00 177.43 177.51 2jtq n ALA 50 N -2.32 0.33 0.00 1.57 0.00 -1.26 -2.41 120.51 116.42 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 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 0.37 1.15 0.27 0.00 0.00 -1.25 -4.08 105.19 101.64 2jtq n GLY 51 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 0.92 0.08 1.61 0.11 -1.97 0.26 114.38 115.38 2jtq h ARG 52 Ca 0.00 -0.47 -0.25 0.00 0.10 0.00 0.00 59.98 59.36 2jtq h ARG 52 Cb 0.00 0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.09 2jtq h ARG 52 CO 0.00 1.13 -1.12 0.37 0.10 0.00 0.00 179.97 180.45 2jtq h GLN 53 N 0.76 0.28 0.00 0.08 4.15 -1.95 -2.47 115.11 115.96 2jtq h GLN 53 Ca 0.06 -0.40 -0.09 0.00 0.77 0.00 0.00 58.65 58.99 2jtq h GLN 53 Cb 0.96 0.14 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 2jtq h GLN 53 CO 0.09 1.15 -0.45 0.66 -1.93 0.00 0.00 178.83 178.35 2jtq h SER 54 N 0.11 0.00 -0.08 -0.69 4.64 -1.81 0.54 113.55 116.26 2jtq h SER 54 Ca -0.10 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.21 2jtq h SER 54 Cb 1.81 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.90 2jtq h SER 54 CO 0.18 0.45 0.03 1.23 -0.87 0.00 0.00 176.83 177.85 2jtq h GLY 55 N 1.38 0.13 0.98 -0.77 0.00 -0.35 0.43 103.07 104.87 2jtq h GLY 55 Ca -0.00 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.26 2jtq h GLY 55 CO 0.06 0.07 0.45 1.46 0.00 0.00 0.00 176.54 178.57 2jtq h GLN 56 N -0.06 0.88 -0.89 4.80 1.08 -1.31 -2.43 115.11 117.17 2jtq h GLN 56 Ca 0.02 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2jtq h GLN 56 Cb 0.20 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 2jtq h GLN 56 CO -0.00 0.58 0.56 0.00 -0.95 0.00 0.00 178.83 179.02 2jtq h ALA 57 N 1.26 1.30 -0.44 3.87 0.00 -0.56 -0.77 119.26 123.93 2jtq h ALA 57 Ca 0.25 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2jtq h ALA 57 Cb -0.09 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.31 2jtq h ALA 57 CO -0.06 0.62 0.23 -0.22 0.00 0.00 0.00 179.25 179.81 2jtq h LYS 58 N 1.22 0.45 -0.27 0.00 3.64 -0.43 -0.47 116.57 120.71 2jtq h LYS 58 Ca 0.32 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.63 2jtq h LYS 58 Cb -0.09 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2jtq h LYS 58 CO -0.06 0.30 -0.01 0.93 -2.27 0.00 0.00 179.45 178.33 2jtq h GLU 59 N 0.46 0.49 -0.37 1.90 4.39 -1.20 -0.54 114.58 119.71 2jtq h GLU 59 Ca 0.18 -0.16 0.04 0.00 0.34 0.00 0.00 59.36 59.77 2jtq h GLU 59 Cb 0.07 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.64 2jtq h GLU 59 CO -0.12 0.66 0.13 0.82 -1.16 0.00 0.00 179.01 179.34 2jtq h ILE 60 N 0.27 0.89 -0.12 3.13 2.04 -0.92 0.28 117.51 123.08 2jtq h ILE 60 Ca 0.08 -0.10 -0.17 0.00 1.00 0.00 0.00 64.86 65.67 2jtq h ILE 60 Cb 0.44 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 2jtq h ILE 60 CO 0.02 0.05 -0.64 -0.07 0.00 0.00 0.00 178.15 177.51 2jtq h LEU 61 N 0.29 0.51 -1.03 1.44 3.38 -0.91 -0.84 115.31 118.15 2jtq h LEU 61 Ca 0.17 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2jtq h LEU 61 Cb 0.14 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 2jtq h LEU 61 CO -0.17 1.02 0.65 0.28 0.09 0.00 0.00 178.44 180.31 2jtq h SER 62 N 0.33 1.12 -0.35 -0.43 0.02 -0.63 -1.69 113.55 111.92 2jtq h SER 62 Ca -0.01 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 60.83 2jtq h SER 62 Cb 1.19 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 2jtq h SER 62 CO 0.11 0.80 -0.07 -0.08 -1.14 0.00 0.00 176.83 176.45 2jtq h GLU 63 N 1.32 0.76 0.00 3.45 4.81 -0.46 -0.85 114.58 123.61 2jtq h GLU 63 Ca 0.37 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 2jtq h GLU 63 Cb -0.11 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.20 2jtq h GLU 63 CO -0.09 0.82 0.00 -1.33 -0.73 0.00 0.00 179.01 177.68 2jtq n MET 64 N -4.18 0.30 -0.78 1.92 2.81 -0.36 -4.86 117.12 111.97 2jtq n MET 64 Ca 0.02 0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2jtq n MET 64 Cb 0.34 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.35 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 -0.14 0.53 3.69 3.03 0.00 -0.32 -5.03 105.19 106.95 2jtq n GLY 65 Ca 0.08 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 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 2.66 -1.18 1.61 1.51 -0.68 -4.92 117.35 114.35 2jtq s TYR 66 Ca 0.00 0.54 0.25 0.00 -1.01 0.00 0.00 57.07 56.84 2jtq s TYR 66 Cb 0.00 -3.85 0.45 0.00 -0.11 0.00 0.00 41.96 38.44 2jtq s TYR 66 CO 0.00 -3.31 1.37 0.25 -1.11 0.00 0.00 175.55 172.75 2jtq n THR 67 N 4.58 0.00 -2.65 -0.71 -2.24 -0.34 -4.31 114.28 108.61 2jtq n THR 67 Ca 0.15 -0.03 -0.10 0.00 -2.27 0.00 0.00 64.05 61.79 2jtq n THR 67 Cb 0.41 0.40 0.03 0.00 -2.10 0.00 0.00 70.33 69.07 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 -1.29 1.47 -2.78 4.78 8.25 -1.24 -5.00 115.22 119.40 2jtq n HIS 68 Ca 0.07 -2.71 -0.35 0.00 -0.26 0.00 0.00 57.72 54.47 2jtq n HIS 68 Cb 0.34 -0.32 -0.07 0.00 1.12 0.00 0.00 29.99 31.06 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 -3.55 4.26 -0.01 1.59 1.01 -1.26 -2.27 120.40 120.18 2jtq s VAL 69 Ca 0.30 1.66 0.01 0.00 0.00 0.00 0.00 61.98 63.95 2jtq s VAL 69 Cb 0.43 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.99 2jtq s VAL 69 CO 0.00 -0.06 -0.04 -0.70 0.00 0.00 0.00 175.10 174.30 2jtq s GLU 70 N -2.56 0.38 -0.18 2.72 2.56 -0.67 -4.92 118.70 116.03 2jtq s GLU 70 Ca 0.56 -0.15 -0.20 0.00 0.00 0.00 0.00 54.97 55.18 2jtq s GLU 70 Cb -0.15 -0.37 -0.03 0.00 2.00 0.00 0.00 34.13 35.58 2jtq s GLU 70 CO 0.19 0.08 0.59 1.21 -0.56 0.00 0.00 175.26 176.78 2jtq s ASN 71 N -0.01 6.68 0.00 -1.70 3.84 -1.26 -1.36 114.94 121.12 2jtq s ASN 71 Ca 0.01 0.82 0.19 0.00 0.21 0.00 0.00 52.86 54.09 2jtq s ASN 71 Cb -0.03 -2.33 0.31 0.00 -0.55 0.00 0.00 41.25 38.65 2jtq s ASN 71 CO -0.00 -0.21 1.26 0.00 -2.79 0.00 0.00 177.10 175.35 2jtq n ALA 72 N 4.77 2.40 0.00 1.71 0.00 -0.38 -4.92 120.51 124.09 2jtq n ALA 72 Ca -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2jtq n ALA 72 Cb 0.50 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 1.18 0.52 3.17 0.00 0.00 -1.25 -4.62 105.19 104.18 2jtq n GLY 73 Ca 0.15 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 45.10 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 0.83 0.57 -0.02 0.00 -1.26 -2.70 107.32 104.74 2jtq s GLY 74 Ca 0.00 -1.39 0.28 0.00 0.00 0.00 0.00 44.72 43.61 2jtq s GLY 74 CO 0.00 -1.43 2.03 -2.00 0.00 0.00 0.00 173.10 171.70 2jtq h LEU 75 N 2.93 0.00 -0.41 0.66 5.85 -0.70 -0.19 115.31 123.46 2jtq h LEU 75 Ca -0.35 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.20 2jtq h LEU 75 Cb 1.17 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 2jtq h LEU 75 CO 0.64 0.00 -0.78 0.11 -0.34 0.00 0.00 178.44 178.07 2jtq h LYS 76 N 0.00 0.00 0.00 1.25 1.57 -1.86 -3.30 116.57 114.23 2jtq h LYS 76 Ca 0.15 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.65 2jtq h LYS 76 Cb 0.75 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.01 2jtq h LYS 76 CO -0.00 0.78 -2.07 -3.47 -0.57 0.00 0.00 179.45 174.12 2jtq n ASP 77 N -3.58 0.30 -4.69 0.86 2.03 -0.16 -4.84 116.55 106.48 2jtq n ASP 77 Ca -0.01 0.14 -0.42 0.00 0.52 0.00 0.00 54.79 55.02 2jtq n ASP 77 Cb 0.76 0.77 -0.03 0.00 -0.72 0.00 0.00 41.12 41.91 2jtq n ASP 77 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jtq s ILE 78 N -2.69 3.15 -0.51 5.18 1.01 -0.72 -4.89 121.20 121.73 2jtq s ILE 78 Ca -0.08 0.56 0.03 0.00 0.00 0.00 0.00 60.65 61.16 2jtq s ILE 78 Cb 0.08 -3.36 0.43 0.00 0.01 0.00 0.00 42.46 39.62 2jtq s ILE 78 CO 0.84 -0.01 1.50 0.00 0.00 0.00 0.00 174.94 177.27 2jtq n ALA 79 N 5.74 5.58 -2.80 9.38 0.00 -1.26 -4.90 120.51 132.25 2jtq n ALA 79 Ca 0.16 -3.92 -0.23 0.00 0.00 0.00 0.00 53.44 49.44 2jtq n ALA 79 Cb 0.41 -0.98 -0.02 0.00 0.00 0.00 0.00 19.45 18.86 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 -3.72 3.47 0.62 0.00 -1.94 -1.26 -5.09 119.30 111.39 2jtq s MET 80 Ca 0.53 -0.50 -0.18 0.00 -1.71 0.00 0.00 55.69 53.84 2jtq s MET 80 Cb 0.43 -2.78 -0.05 0.00 2.01 0.00 0.00 34.83 34.44 2jtq s MET 80 CO -0.11 0.30 0.85 -2.30 -0.01 0.00 0.00 175.02 173.75 2jtq n PRO 81 N -1.43 0.74 -4.31 2.03 -0.02 -1.26 -4.89 135.00 125.86 2jtq n PRO 81 Ca -0.06 0.29 -0.17 0.00 -2.02 0.00 0.00 63.50 61.54 2jtq n PRO 81 Cb 0.56 -2.06 -0.10 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.69 1.25 0.10 -0.52 -0.14 -1.26 -1.12 119.74 115.36 2jtq s LYS 82 Ca 0.74 -1.58 0.06 0.00 -1.36 0.00 0.00 55.97 53.83 2jtq s LYS 82 Cb -0.41 -0.75 -0.03 0.00 -1.68 0.00 0.00 37.83 34.95 2jtq s LYS 82 CO 0.49 0.03 -0.14 0.08 -0.76 0.00 0.00 175.35 175.05 2jtq s VAL 83 N -3.27 1.23 0.12 3.17 1.01 -0.01 -4.65 120.40 118.00 2jtq s VAL 83 Ca 0.23 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 60.66 2jtq s VAL 83 Cb 0.03 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.03 2jtq s VAL 83 CO 0.05 -0.33 0.04 -0.54 0.00 0.00 0.00 175.10 174.32 2jtq s LYS 84 N -2.28 0.88 0.00 2.72 1.02 -1.26 -1.21 119.74 119.62 2jtq s LYS 84 Ca 0.04 -1.41 0.07 0.00 0.02 0.00 0.00 55.97 54.69 2jtq s LYS 84 Cb -0.07 0.23 0.39 0.00 -0.52 0.00 0.00 37.83 37.86 2jtq s LYS 84 CO 0.03 -0.23 0.86 0.41 -0.92 0.00 0.00 175.35 175.49