#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 0.12 0.00 2.12 -1.26 -1.11 118.70 119.25 2jtq s GLU 2 Ca 0.00 0.28 -0.02 0.00 0.36 0.00 0.00 54.97 55.59 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 -0.16 0.07 -1.01 -0.54 0.00 0.00 175.26 173.63 2jtq s HIS 3 N -0.57 0.74 -0.07 5.30 3.76 0.07 -4.81 115.29 119.71 2jtq s HIS 3 Ca -0.07 -1.14 0.02 0.00 -0.15 0.00 0.00 55.06 53.72 2jtq s HIS 3 Cb -0.03 -0.41 0.02 0.00 1.11 0.00 0.00 32.58 33.26 2jtq s HIS 3 CO 0.04 -0.52 -0.10 -1.58 -0.85 0.00 0.00 174.74 171.72 2jtq s TRP 4 N -4.02 1.34 -0.17 1.40 0.52 -1.26 -0.71 118.94 116.04 2jtq s TRP 4 Ca 0.20 -0.51 -0.01 0.00 0.02 0.00 0.00 56.10 55.80 2jtq s TRP 4 Cb 0.07 -1.02 0.05 0.00 -1.15 0.00 0.00 33.47 31.41 2jtq s TRP 4 CO -0.01 -0.30 -0.02 0.42 0.02 0.00 0.00 176.95 177.06 2jtq s ILE 5 N 0.87 0.90 -0.59 2.03 -1.09 -0.46 -1.85 121.20 121.01 2jtq s ILE 5 Ca -0.11 -0.57 -0.27 0.00 -2.23 0.00 0.00 60.65 57.47 2jtq s ILE 5 Cb -0.15 -1.17 0.03 0.00 -1.58 0.00 0.00 42.46 39.59 2jtq s ILE 5 CO 0.01 0.04 1.14 -0.62 -1.23 0.00 0.00 174.94 174.28 2jtq s ASP 6 N 1.71 6.38 0.00 3.58 2.15 0.17 -2.00 116.67 128.66 2jtq s ASP 6 Ca 0.00 -0.09 0.23 0.00 0.43 0.00 0.00 52.55 53.13 2jtq s ASP 6 Cb -0.16 -2.52 0.88 0.00 -0.30 0.00 0.00 42.92 40.82 2jtq s ASP 6 CO -0.07 -1.46 1.63 1.33 -0.17 0.00 0.00 175.17 176.42 2jtq n VAL 7 N 6.51 0.14 -0.82 1.11 0.24 0.01 -1.53 118.33 123.99 2jtq n VAL 7 Ca 0.06 -0.30 -0.30 0.00 -2.04 0.00 0.00 64.34 61.76 2jtq n VAL 7 Cb 0.49 0.37 0.17 0.00 -1.47 0.00 0.00 33.84 33.40 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 -1.86 0.85 0.52 7.34 3.52 -1.25 -1.57 118.95 126.50 2jtq s ARG 8 Ca 0.34 1.25 -0.23 0.00 -0.13 0.00 0.00 55.73 56.97 2jtq s ARG 8 Cb 0.18 -1.73 -0.06 0.00 -1.56 0.00 0.00 34.95 31.79 2jtq s ARG 8 CO 0.28 -2.65 1.36 1.33 -0.81 0.00 0.00 175.30 174.82 2jtq n VAL 9 N -4.22 3.57 0.23 7.11 0.24 -1.26 -4.17 118.33 119.83 2jtq n VAL 9 Ca 0.09 -0.50 0.10 0.00 -2.04 0.00 0.00 64.34 61.99 2jtq n VAL 9 Cb 0.53 -1.68 0.52 0.00 -1.47 0.00 0.00 33.84 31.74 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 1.60 0.00 -0.17 7.34 0.13 -1.96 -2.78 132.00 136.16 2jtq h PRO 10 Ca -0.51 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.64 2jtq h PRO 10 Cb 1.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 2jtq h PRO 10 CO 0.58 0.23 0.11 1.49 -0.23 0.00 0.00 178.00 180.18 2jtq h GLU 11 N 0.00 0.18 0.00 0.86 4.57 -1.99 -1.21 114.58 116.99 2jtq h GLU 11 Ca -0.00 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.94 2jtq h GLU 11 Cb 0.63 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 2jtq h GLU 11 CO 0.03 0.12 -1.33 1.96 -1.18 0.00 0.00 179.01 178.61 2jtq h GLN 12 N 0.19 0.00 -0.57 1.92 4.20 -1.86 -3.24 115.11 115.75 2jtq h GLN 12 Ca 0.07 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.79 2jtq h GLN 12 Cb 0.04 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.79 2jtq h GLN 12 CO -0.01 0.60 0.37 -0.92 -0.67 0.00 0.00 178.83 178.20 2jtq h TYR 13 N 0.00 0.70 0.00 2.96 3.20 -1.31 -0.32 116.97 122.19 2jtq h TYR 13 Ca -0.16 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.73 2jtq h TYR 13 Cb 1.80 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.83 2jtq h TYR 13 CO 0.00 0.43 0.00 1.04 -1.64 0.00 0.00 178.16 177.99 2jtq n GLN 14 N -4.45 0.48 0.00 1.82 1.13 -0.55 -3.39 117.38 112.42 2jtq n GLN 14 Ca 0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 2jtq n GLN 14 Cb 0.06 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 28.94 2jtq n GLN 14 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2jtq n GLN 15 N -0.97 3.05 -3.60 -1.09 6.02 -0.28 -3.59 117.38 116.92 2jtq n GLN 15 Ca 0.11 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.94 2jtq n GLN 15 Cb 0.05 -0.93 -0.07 0.00 1.02 0.00 0.00 30.24 30.31 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 -1.87 0.90 0.07 -1.09 2.12 -0.32 -3.13 118.70 115.39 2jtq s GLU 16 Ca 0.00 0.59 -0.17 0.00 0.36 0.00 0.00 54.97 55.75 2jtq s GLU 16 Cb 0.00 0.43 0.03 0.00 0.26 0.00 0.00 34.13 34.85 2jtq s GLU 16 CO 0.00 -0.20 0.40 -1.58 -0.54 0.00 0.00 175.26 173.34 2jtq s HIS 17 N -0.39 -0.23 0.39 5.30 2.46 -0.01 -4.00 115.29 118.81 2jtq s HIS 17 Ca -0.05 0.08 -0.26 0.00 0.47 0.00 0.00 55.06 55.30 2jtq s HIS 17 Cb -0.03 0.23 -0.09 0.00 -0.13 0.00 0.00 32.58 32.56 2jtq s HIS 17 CO 0.05 -0.62 1.19 0.08 -2.47 0.00 0.00 174.74 172.97 2jtq s VAL 18 N -3.00 3.08 0.00 0.89 1.01 -1.26 -0.63 120.40 120.49 2jtq s VAL 18 Ca -0.02 0.93 -0.04 0.00 0.00 0.00 0.00 61.98 62.85 2jtq s VAL 18 Cb 0.00 -3.53 -0.18 0.00 0.00 0.00 0.00 36.38 32.68 2jtq s VAL 18 CO -0.06 0.10 2.76 1.67 0.00 0.00 0.00 175.10 179.57 2jtq n GLN 19 N 0.16 1.46 0.00 2.72 7.27 -0.19 -3.53 117.38 125.26 2jtq n GLN 19 Ca 0.04 -0.66 0.00 0.00 0.07 0.00 0.00 57.00 56.45 2jtq n GLN 19 Cb 0.46 -1.76 0.00 0.00 2.41 0.00 0.00 30.24 31.35 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 2.42 0.00 3.32 1.69 0.00 -1.26 -5.00 105.19 106.36 2jtq n GLY 20 Ca 0.28 0.00 -0.15 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 n ALA 21 N 0.00 -0.17 -2.66 4.61 0.00 -1.23 -4.49 120.51 116.56 2jtq n ALA 21 Ca 0.00 -1.66 -0.19 0.00 0.00 0.00 0.00 53.44 51.59 2jtq n ALA 21 Cb 0.00 1.34 -0.14 0.00 0.00 0.00 0.00 19.45 20.65 2jtq n ALA 21 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2jtq s ILE 22 N -2.89 0.88 -0.22 0.00 1.01 -0.77 -5.01 121.20 114.20 2jtq s ILE 22 Ca 0.31 -0.65 -0.15 0.00 0.00 0.00 0.00 60.65 60.15 2jtq s ILE 22 Cb -0.01 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.66 2jtq s ILE 22 CO 0.22 0.12 0.39 0.21 0.00 0.00 0.00 174.94 175.88 2jtq s ASN 23 N -0.60 6.38 -0.28 3.58 3.84 -1.26 -0.66 114.94 125.94 2jtq s ASN 23 Ca 0.02 0.45 -0.02 0.00 0.21 0.00 0.00 52.86 53.51 2jtq s ASN 23 Cb -0.06 -2.22 0.11 0.00 -0.55 0.00 0.00 41.25 38.54 2jtq s ASN 23 CO 0.00 -0.11 0.21 -0.63 -2.79 0.00 0.00 177.10 173.78 2jtq s ILE 24 N 1.53 -0.23 0.64 -5.21 1.01 -0.58 -4.95 121.20 113.41 2jtq s ILE 24 Ca 0.18 -0.60 -0.18 0.00 0.00 0.00 0.00 60.65 60.05 2jtq s ILE 24 Cb -0.15 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 2jtq s ILE 24 CO 0.08 -0.58 1.25 -2.16 0.00 0.00 0.00 174.94 173.54 2jtq s PRO 25 N 2.23 2.62 0.25 2.79 0.04 -1.26 -4.01 135.00 137.66 2jtq s PRO 25 Ca 0.09 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 63.02 2jtq s PRO 25 Cb -0.15 -1.87 0.49 0.00 0.04 0.00 0.00 34.50 33.01 2jtq s PRO 25 CO -0.33 -1.51 1.67 1.25 0.04 0.00 0.00 177.00 178.11 2jtq h LEU 26 N 0.52 -0.08 -1.77 -3.56 6.46 -1.55 0.21 115.31 115.54 2jtq h LEU 26 Ca -0.50 0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.43 2jtq h LEU 26 Cb 1.32 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 41.48 2jtq h LEU 26 CO 0.53 -0.09 0.17 0.07 -0.62 0.00 0.00 178.44 178.51 2jtq h LYS 27 N 0.22 0.30 0.12 1.25 2.10 -1.89 -2.05 116.57 116.61 2jtq h LYS 27 Ca 0.43 -0.02 -0.17 0.00 -2.00 0.00 0.00 60.65 58.90 2jtq h LYS 27 Cb 0.76 -0.07 0.02 0.00 -0.90 0.00 0.00 32.23 32.04 2jtq h LYS 27 CO -0.57 0.20 -0.74 0.93 -2.00 0.00 0.00 179.45 177.28 2jtq h GLU 28 N 0.31 0.25 -0.97 0.07 5.08 -1.02 -3.39 114.58 114.91 2jtq h GLU 28 Ca 0.10 -0.43 0.10 0.00 -1.00 0.00 0.00 59.36 58.12 2jtq h GLU 28 Cb 0.02 0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 2jtq h GLU 28 CO -0.02 1.21 0.62 -0.24 -1.00 0.00 0.00 179.01 179.58 2jtq h VAL 29 N -0.46 0.98 -0.02 3.13 3.04 -0.23 0.19 116.25 122.88 2jtq h VAL 29 Ca -0.13 -0.34 0.01 0.00 -1.01 0.00 0.00 66.70 65.22 2jtq h VAL 29 Cb 1.56 -0.11 -0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2jtq h VAL 29 CO 0.12 0.18 0.02 0.50 -1.01 0.00 0.00 177.57 177.39 2jtq h LYS 30 N 1.00 0.00 0.00 4.17 3.64 -1.69 0.82 116.57 124.52 2jtq h LYS 30 Ca 0.45 0.00 -0.39 0.00 -1.27 0.00 0.00 60.65 59.44 2jtq h LYS 30 Cb 0.38 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 2jtq h LYS 30 CO -0.21 0.00 -2.27 -1.91 -2.27 0.00 0.00 179.45 172.79 2jtq n GLU 31 N -3.88 0.58 0.25 1.90 2.13 -0.28 -4.68 120.64 116.66 2jtq n GLU 31 Ca -0.02 0.28 0.11 0.00 0.66 0.00 0.00 57.16 58.19 2jtq n GLU 31 Cb 0.11 -1.50 0.63 0.00 0.27 0.00 0.00 31.44 30.95 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 -1.00 0.00 -0.51 5.31 2.43 -0.43 -1.77 114.38 118.40 2jtq h ARG 32 Ca -0.59 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 58.66 2jtq h ARG 32 Cb 1.51 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 31.03 2jtq h ARG 32 CO -0.36 0.17 0.34 0.97 -1.51 0.00 0.00 179.97 179.58 2jtq h ILE 33 N 0.00 0.92 0.00 1.20 6.09 -1.06 -0.07 117.51 124.60 2jtq h ILE 33 Ca -0.00 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.36 2jtq h ILE 33 Cb 0.47 0.53 0.00 0.00 0.47 0.00 0.00 36.82 38.29 2jtq h ILE 33 CO 0.02 0.07 0.00 0.00 -3.07 0.00 0.00 178.15 175.17 2jtq n ALA 34 N -2.52 1.49 -0.01 0.18 0.00 -0.67 -0.19 120.51 118.79 2jtq n ALA 34 Ca 0.08 -0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.47 2jtq n ALA 34 Cb 0.32 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 2jtq n ALA 34 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2jtq n THR 35 N -1.38 0.20 0.08 0.00 -1.04 -0.18 -4.06 114.28 107.91 2jtq n THR 35 Ca 0.03 -0.13 -0.12 0.00 -2.04 0.00 0.00 64.05 61.79 2jtq n THR 35 Cb 0.08 -0.79 -0.06 0.00 -1.82 0.00 0.00 70.33 67.75 2jtq n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jtq h ALA 36 N 0.18 0.36 -1.77 2.41 0.00 -0.72 -3.39 119.26 116.32 2jtq h ALA 36 Ca -0.08 -0.76 -0.48 0.00 0.00 0.00 0.00 54.91 53.59 2jtq h ALA 36 Cb 1.10 -0.04 -0.37 0.00 0.00 0.00 0.00 17.79 18.49 2jtq h ALA 36 CO 0.00 0.89 -1.08 0.28 0.00 0.00 0.00 179.25 179.35 2jtq n VAL 37 N -3.66 -0.35 0.25 0.00 0.31 0.74 -4.99 118.33 110.62 2jtq n VAL 37 Ca -0.06 -4.01 0.12 0.00 -0.01 0.00 0.00 64.34 60.39 2jtq n VAL 37 Cb 0.87 -0.70 0.66 0.00 -0.91 0.00 0.00 33.84 33.75 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 3.43 0.00 0.00 5.55 0.13 -1.70 -3.13 132.00 136.28 2jtq h PRO 38 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2jtq h PRO 38 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2jtq h PRO 38 CO 0.45 0.15 -0.00 -3.47 -0.23 0.00 0.00 178.00 174.90 2jtq n ASP 39 N -3.57 0.29 0.00 1.44 2.03 -1.26 -4.93 116.55 110.55 2jtq n ASP 39 Ca -0.01 0.52 0.00 0.00 0.52 0.00 0.00 54.79 55.82 2jtq n ASP 39 Cb 0.29 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 2jtq n ASP 39 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jtq n LYS 40 N -1.77 0.00 0.10 -0.67 5.02 -1.18 -4.73 118.16 114.93 2jtq n LYS 40 Ca 0.06 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.32 2jtq n LYS 40 Cb 0.37 -3.64 0.00 0.00 -0.02 0.00 0.00 35.03 31.74 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 -3.53 4.39 -1.24 -1.91 -2.81 115.58 110.48 2jtq h ASN 41 Ca 0.00 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 2jtq h ASN 41 Cb 0.00 0.00 0.05 0.00 0.73 0.00 0.00 38.32 39.10 2jtq h ASN 41 CO 0.00 0.79 0.69 -1.81 -1.29 0.00 0.00 177.43 175.81 2jtq s ASP 42 N -6.68 6.76 -0.51 1.15 1.01 -1.26 -4.38 116.67 112.75 2jtq s ASP 42 Ca 0.01 2.60 -0.27 0.00 0.71 0.00 0.00 52.55 55.60 2jtq s ASP 42 Cb 0.10 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2jtq s ASP 42 CO 0.79 -0.60 2.11 -0.89 0.21 0.00 0.00 175.17 176.78 2jtq s THR 43 N -0.31 3.20 -0.38 -1.27 2.01 -0.27 -4.59 115.64 114.03 2jtq s THR 43 Ca 0.55 0.13 -0.29 0.00 0.31 0.00 0.00 61.69 62.40 2jtq s THR 43 Cb -0.40 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 68.66 2jtq s THR 43 CO 0.45 -0.44 1.18 -0.69 -0.69 0.00 0.00 174.62 174.43 2jtq s VAL 44 N 10.17 4.26 -0.57 3.82 1.01 -1.03 -0.75 120.40 137.31 2jtq s VAL 44 Ca 0.83 1.38 -0.19 0.00 0.00 0.00 0.00 61.98 64.00 2jtq s VAL 44 Cb -0.16 -4.41 0.09 0.00 0.00 0.00 0.00 36.38 31.90 2jtq s VAL 44 CO 0.25 -0.70 0.67 -0.54 0.00 0.00 0.00 175.10 174.78 2jtq s LYS 45 N 4.18 3.05 0.23 2.72 1.02 0.11 -1.03 119.74 130.03 2jtq s LYS 45 Ca 0.50 -1.26 -0.26 0.00 0.02 0.00 0.00 55.97 54.98 2jtq s LYS 45 Cb -0.11 -4.23 -0.09 0.00 -0.52 0.00 0.00 37.83 32.88 2jtq s LYS 45 CO 0.25 -1.45 0.85 0.14 -0.92 0.00 0.00 175.35 174.22 2jtq s VAL 46 N 2.58 4.29 0.16 3.17 -7.23 -0.49 -1.36 120.40 121.52 2jtq s VAL 46 Ca 0.11 1.76 -0.08 0.00 -1.81 0.00 0.00 61.98 61.96 2jtq s VAL 46 Cb -0.24 -4.11 -0.01 0.00 0.56 0.00 0.00 36.38 32.59 2jtq s VAL 46 CO 0.07 0.37 0.26 -0.72 -0.31 0.00 0.00 175.10 174.77 2jtq s TYR 47 N -1.34 0.42 0.00 2.82 -0.85 -0.85 -1.22 117.35 116.34 2jtq s TYR 47 Ca 0.42 -0.79 0.00 0.00 -0.52 0.00 0.00 57.07 56.18 2jtq s TYR 47 Cb -0.22 -0.10 0.00 0.00 0.38 0.00 0.00 41.96 42.03 2jtq s TYR 47 CO 0.26 -0.69 0.00 0.00 -1.52 0.00 0.00 175.55 173.60 2jtq h ASN 49 N 0.00 0.32 0.00 0.00 -0.73 -1.93 -0.17 115.58 113.07 2jtq h ASN 49 Ca 0.00 -0.25 0.00 0.00 1.87 0.00 0.00 56.30 57.92 2jtq h ASN 49 Cb 0.00 -0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.51 2jtq h ASN 49 CO 0.00 0.49 0.00 0.00 -0.37 0.00 0.00 177.43 177.55 2jtq n ALA 50 N -2.29 1.00 0.00 1.57 0.00 -1.26 -3.27 120.51 116.26 2jtq n ALA 50 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2jtq n ALA 50 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 0.30 0.34 0.19 0.00 0.00 -1.23 -2.70 105.19 102.10 2jtq n GLY 51 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 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 0.42 0.16 1.61 0.11 -1.98 -0.01 114.38 114.68 2jtq h ARG 52 Ca 0.00 -0.03 -0.30 0.00 0.10 0.00 0.00 59.98 59.75 2jtq h ARG 52 Cb 0.00 -0.09 0.01 0.00 1.11 0.00 0.00 29.97 31.00 2jtq h ARG 52 CO 0.00 0.28 -1.42 0.37 0.10 0.00 0.00 179.97 179.30 2jtq h GLN 53 N 0.43 0.34 -0.02 0.08 4.15 -1.96 -2.96 115.11 115.17 2jtq h GLN 53 Ca 0.21 -0.58 -0.10 0.00 0.77 0.00 0.00 58.65 58.94 2jtq h GLN 53 Cb 0.14 0.22 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2jtq h GLN 53 CO -0.16 1.25 -0.48 0.66 -1.93 0.00 0.00 178.83 178.17 2jtq h SER 54 N 0.09 0.04 0.08 -0.69 4.64 -1.81 -0.45 113.55 115.46 2jtq h SER 54 Ca -0.21 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2jtq h SER 54 Cb 2.04 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 64.12 2jtq h SER 54 CO 0.21 0.52 -0.04 1.23 -0.87 0.00 0.00 176.83 177.88 2jtq h GLY 55 N 1.43 -0.12 0.99 -0.77 0.00 -0.96 0.11 103.07 103.75 2jtq h GLY 55 Ca -0.00 0.04 0.01 0.00 0.00 0.00 0.00 47.33 47.38 2jtq h GLY 55 CO 0.06 -0.04 0.46 1.46 0.00 0.00 0.00 176.54 178.49 2jtq h GLN 56 N -0.14 0.92 -0.75 4.80 1.08 -1.35 -2.21 115.11 117.45 2jtq h GLN 56 Ca -0.01 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 2jtq h GLN 56 Cb 0.11 -0.21 -0.04 0.00 -0.05 0.00 0.00 27.48 27.30 2jtq h GLN 56 CO 0.02 0.61 0.43 0.00 -0.95 0.00 0.00 178.83 178.94 2jtq h ALA 57 N 1.26 1.35 -0.55 3.87 0.00 -0.75 -0.29 119.26 124.15 2jtq h ALA 57 Ca 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2jtq h ALA 57 Cb -0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.36 2jtq h ALA 57 CO -0.06 0.55 0.32 -0.22 0.00 0.00 0.00 179.25 179.83 2jtq h LYS 58 N 1.04 0.76 -0.16 0.00 3.64 -0.20 0.40 116.57 122.06 2jtq h LYS 58 Ca 0.27 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2jtq h LYS 58 Cb -0.01 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 2jtq h LYS 58 CO -0.05 0.57 0.03 0.93 -2.27 0.00 0.00 179.45 178.67 2jtq h GLU 59 N 0.74 0.26 -0.18 1.90 5.08 -0.94 -1.34 114.58 120.10 2jtq h GLU 59 Ca 0.20 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.52 2jtq h GLU 59 Cb 0.02 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2jtq h GLU 59 CO -0.03 0.42 0.01 0.82 -1.00 0.00 0.00 179.01 179.23 2jtq h ILE 60 N 0.06 0.89 -0.00 3.13 2.04 -0.88 -0.95 117.51 121.79 2jtq h ILE 60 Ca 0.05 -0.03 -0.11 0.00 1.00 0.00 0.00 64.86 65.77 2jtq h ILE 60 Cb 0.28 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 2jtq h ILE 60 CO 0.00 0.01 -0.52 -0.07 0.00 0.00 0.00 178.15 177.57 2jtq h LEU 61 N 0.07 0.01 -0.51 1.44 3.38 -0.82 0.12 115.31 119.01 2jtq h LEU 61 Ca 0.08 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 2jtq h LEU 61 Cb 0.10 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2jtq h LEU 61 CO -0.13 0.53 0.15 0.28 0.09 0.00 0.00 178.44 179.36 2jtq h SER 62 N 0.01 0.76 0.03 -0.43 0.02 -0.82 -1.87 113.55 111.24 2jtq h SER 62 Ca -0.00 -0.22 -0.08 0.00 -0.84 0.00 0.00 61.79 60.65 2jtq h SER 62 Cb 0.93 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2jtq h SER 62 CO 0.07 0.77 -0.24 -0.33 -1.14 0.00 0.00 176.83 175.97 2jtq h GLU 63 N 0.70 0.35 0.00 3.45 5.08 -0.62 -1.25 114.58 122.29 2jtq h GLU 63 Ca 0.16 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jtq h GLU 63 Cb 0.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2jtq h GLU 63 CO -0.00 0.57 0.00 -1.33 -1.00 0.00 0.00 179.01 177.25 2jtq n MET 64 N -4.15 0.15 -0.97 2.33 2.81 -0.02 -4.89 117.12 112.38 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 0.37 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 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 -0.18 0.47 3.66 3.03 0.00 -0.47 -5.01 105.19 106.68 2jtq n GLY 65 Ca 0.06 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 1.83 -0.63 1.61 1.51 -0.75 -4.88 117.35 114.04 2jtq s TYR 66 Ca 0.00 0.10 0.26 0.00 -1.01 0.00 0.00 57.07 56.41 2jtq s TYR 66 Cb 0.00 -3.98 0.82 0.00 -0.11 0.00 0.00 41.96 38.68 2jtq s TYR 66 CO 0.00 -4.13 1.76 1.79 -1.11 0.00 0.00 175.55 173.85 2jtq h THR 67 N 5.66 0.00 -3.33 -0.71 1.35 -1.82 -3.41 112.91 110.65 2jtq h THR 67 Ca -0.41 -0.48 -0.41 0.00 -0.55 0.00 0.00 66.41 64.56 2jtq h THR 67 Cb 1.19 1.43 -0.37 0.00 -1.73 0.00 0.00 68.15 68.67 2jtq h THR 67 CO 0.95 0.00 -0.76 -1.00 -0.25 0.00 0.00 175.52 174.46 2jtq s HIS 68 N -3.17 0.57 0.01 4.73 3.76 -1.26 -5.06 115.29 114.88 2jtq s HIS 68 Ca 0.09 -0.11 -0.02 0.00 -0.15 0.00 0.00 55.06 54.87 2jtq s HIS 68 Cb 0.11 -0.69 -0.01 0.00 1.11 0.00 0.00 32.58 33.09 2jtq s HIS 68 CO 0.56 -0.26 0.01 0.08 -0.85 0.00 0.00 174.74 174.28 2jtq s VAL 69 N 1.68 0.09 0.10 -0.90 1.01 -1.26 -2.46 120.40 118.66 2jtq s VAL 69 Ca 0.00 -0.77 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 2jtq s VAL 69 Cb -0.13 -0.28 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 2jtq s VAL 69 CO -0.04 -0.43 0.00 -0.70 0.00 0.00 0.00 175.10 173.94 2jtq s GLU 70 N -1.30 0.81 -0.07 2.72 2.12 -0.20 -4.88 118.70 117.90 2jtq s GLU 70 Ca -0.14 -1.35 0.04 0.00 0.36 0.00 0.00 54.97 53.87 2jtq s GLU 70 Cb -0.09 0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.42 2jtq s GLU 70 CO -0.00 -0.15 -0.18 1.21 -0.54 0.00 0.00 175.26 175.59 2jtq s ASN 71 N -3.01 2.37 -0.13 -1.70 3.84 -1.26 -1.39 114.94 113.65 2jtq s ASN 71 Ca 0.16 -0.41 0.17 0.00 0.21 0.00 0.00 52.86 52.99 2jtq s ASN 71 Cb 0.07 -0.95 0.35 0.00 -0.55 0.00 0.00 41.25 40.17 2jtq s ASN 71 CO -0.03 0.12 1.23 0.00 -2.79 0.00 0.00 177.10 175.62 2jtq n ALA 72 N 3.49 2.47 -0.53 1.71 0.00 -0.36 -4.94 120.51 122.35 2jtq n ALA 72 Ca -0.20 -2.41 0.00 0.00 0.00 0.00 0.00 53.44 50.83 2jtq n ALA 72 Cb 0.52 -0.46 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 -1.06 1.26 3.70 0.00 0.00 -1.26 -4.68 105.19 103.15 2jtq n GLY 73 Ca 0.17 0.23 -0.08 0.00 0.00 0.00 0.00 46.02 46.33 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 0.08 0.60 -0.02 0.00 -1.10 -1.87 107.32 105.01 2jtq s GLY 74 Ca 0.00 -0.43 0.37 0.00 0.00 0.00 0.00 44.72 44.66 2jtq s GLY 74 CO 0.00 -0.27 2.21 -2.00 0.00 0.00 0.00 173.10 173.04 2jtq h LEU 75 N 2.11 0.00 -0.71 0.66 5.85 -1.00 -0.50 115.31 121.73 2jtq h LEU 75 Ca -0.23 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.40 2jtq h LEU 75 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 2jtq h LEU 75 CO 0.30 0.03 0.05 0.11 -0.34 0.00 0.00 178.44 178.59 2jtq h LYS 76 N 0.00 1.05 0.10 1.25 1.57 -1.83 -3.22 116.57 115.48 2jtq h LYS 76 Ca -0.00 -0.30 -0.28 0.00 -1.87 0.00 0.00 60.65 58.20 2jtq h LYS 76 Cb 0.19 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2jtq h LYS 76 CO 0.00 0.99 -1.34 0.22 -0.57 0.00 0.00 179.45 178.75 2jtq h ASP 77 N 0.97 0.34 -3.08 0.86 3.58 -1.41 -3.45 116.42 114.23 2jtq h ASP 77 Ca 0.18 -0.41 -0.53 0.00 0.42 0.00 0.00 57.03 56.70 2jtq h ASP 77 Cb 0.49 -0.11 0.04 0.00 1.72 0.00 0.00 39.33 41.47 2jtq h ASP 77 CO 0.02 1.33 0.77 -0.63 -2.88 0.00 0.00 179.24 177.85 2jtq s ILE 78 N -2.65 2.95 -0.15 2.25 1.01 -0.87 -4.92 121.20 118.82 2jtq s ILE 78 Ca -0.05 0.72 0.15 0.00 0.00 0.00 0.00 60.65 61.46 2jtq s ILE 78 Cb 0.07 -3.46 0.34 0.00 0.01 0.00 0.00 42.46 39.42 2jtq s ILE 78 CO 0.86 0.07 1.17 0.00 0.00 0.00 0.00 174.94 177.05 2jtq n ALA 79 N 3.44 2.86 -1.24 9.38 0.00 -1.26 -4.89 120.51 128.80 2jtq n ALA 79 Ca 0.10 -2.82 -0.31 0.00 0.00 0.00 0.00 53.44 50.41 2jtq n ALA 79 Cb 0.41 -0.39 0.09 0.00 0.00 0.00 0.00 19.45 19.56 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 -2.73 2.21 0.33 0.00 -1.94 -1.26 -4.99 119.30 110.92 2jtq s MET 80 Ca 0.33 1.23 -0.26 0.00 -1.71 0.00 0.00 55.69 55.28 2jtq s MET 80 Cb 0.31 -1.89 -0.13 0.00 2.01 0.00 0.00 34.83 35.13 2jtq s MET 80 CO -0.03 -1.69 0.91 -2.30 -0.01 0.00 0.00 175.02 171.91 2jtq n PRO 81 N -3.45 1.16 -4.32 2.03 -0.02 -1.26 -4.88 135.00 124.26 2jtq n PRO 81 Ca 0.09 0.41 -0.25 0.00 -2.02 0.00 0.00 63.50 61.74 2jtq n PRO 81 Cb 0.53 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 32.14 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 -1.62 2.10 0.03 -0.52 -0.14 -1.26 -1.02 119.74 117.31 2jtq s LYS 82 Ca 0.60 -1.74 0.05 0.00 -1.36 0.00 0.00 55.97 53.53 2jtq s LYS 82 Cb -0.67 -1.94 -0.02 0.00 -1.68 0.00 0.00 37.83 33.52 2jtq s LYS 82 CO 0.59 0.12 -0.16 0.08 -0.76 0.00 0.00 175.35 175.22 2jtq s VAL 83 N -2.52 1.26 0.18 3.17 1.01 0.19 -4.63 120.40 119.07 2jtq s VAL 83 Ca 0.35 -0.97 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 2jtq s VAL 83 Cb 0.00 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 2jtq s VAL 83 CO 0.20 0.12 0.13 -0.54 0.00 0.00 0.00 175.10 175.00 2jtq s LYS 84 N -0.98 1.12 0.00 2.72 1.02 -1.26 -0.83 119.74 121.53 2jtq s LYS 84 Ca 0.04 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.49 2jtq s LYS 84 Cb -0.08 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 2jtq s LYS 84 CO 0.01 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.49