#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 0.78 0.16 0.00 2.12 -1.26 -1.13 118.70 119.37 2jtq s GLU 2 Ca 0.00 0.32 -0.02 0.00 0.36 0.00 0.00 54.97 55.62 2jtq s GLU 2 Cb 0.00 0.37 -0.04 0.00 0.26 0.00 0.00 34.13 34.72 2jtq s GLU 2 CO 0.00 -0.19 0.11 -1.01 -0.54 0.00 0.00 175.26 173.63 2jtq s HIS 3 N -0.67 0.87 -0.05 5.30 3.76 0.17 -4.81 115.29 119.87 2jtq s HIS 3 Ca -0.08 -1.21 0.01 0.00 -0.15 0.00 0.00 55.06 53.64 2jtq s HIS 3 Cb -0.03 -0.44 0.02 0.00 1.11 0.00 0.00 32.58 33.24 2jtq s HIS 3 CO 0.05 -0.59 -0.06 -1.58 -0.85 0.00 0.00 174.74 171.71 2jtq s TRP 4 N -4.07 0.93 -0.21 1.40 0.52 -1.26 -0.67 118.94 115.58 2jtq s TRP 4 Ca 0.27 -0.29 -0.01 0.00 0.02 0.00 0.00 56.10 56.09 2jtq s TRP 4 Cb 0.07 -0.77 0.06 0.00 -1.15 0.00 0.00 33.47 31.67 2jtq s TRP 4 CO 0.04 -0.22 -0.03 0.42 0.02 0.00 0.00 176.95 177.19 2jtq s ILE 5 N 0.89 1.16 -0.98 2.03 -1.09 -0.49 -2.21 121.20 120.52 2jtq s ILE 5 Ca -0.11 -0.93 -0.23 0.00 -2.23 0.00 0.00 60.65 57.15 2jtq s ILE 5 Cb -0.15 -1.49 0.06 0.00 -1.58 0.00 0.00 42.46 39.30 2jtq s ILE 5 CO 0.01 -0.09 1.40 -0.62 -1.23 0.00 0.00 174.94 174.40 2jtq s ASP 6 N 1.57 6.48 0.00 3.58 2.15 -0.04 -1.60 116.67 128.81 2jtq s ASP 6 Ca -0.03 -1.41 0.19 0.00 0.43 0.00 0.00 52.55 51.73 2jtq s ASP 6 Cb -0.18 -2.55 1.02 0.00 -0.30 0.00 0.00 42.92 40.91 2jtq s ASP 6 CO -0.07 -1.50 1.57 1.33 -0.17 0.00 0.00 175.17 176.33 2jtq n VAL 7 N 6.70 0.29 -1.00 1.11 0.24 0.25 -2.26 118.33 123.66 2jtq n VAL 7 Ca 0.29 0.07 -0.31 0.00 -2.04 0.00 0.00 64.34 62.35 2jtq n VAL 7 Cb 0.51 -0.76 0.14 0.00 -1.47 0.00 0.00 33.84 32.25 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 -2.38 1.46 0.56 7.34 3.52 -1.25 -1.51 118.95 126.70 2jtq s ARG 8 Ca 0.22 1.24 -0.21 0.00 -0.13 0.00 0.00 55.73 56.84 2jtq s ARG 8 Cb 0.13 -1.80 -0.04 0.00 -1.56 0.00 0.00 34.95 31.67 2jtq s ARG 8 CO 0.27 -2.23 1.29 1.33 -0.81 0.00 0.00 175.30 175.15 2jtq n VAL 9 N -3.93 3.95 0.25 7.11 0.24 -1.26 -4.09 118.33 120.60 2jtq n VAL 9 Ca 0.09 -0.50 0.15 0.00 -2.04 0.00 0.00 64.34 62.04 2jtq n VAL 9 Cb 0.53 -1.55 0.52 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 1.18 0.00 -0.91 7.34 0.13 -1.95 -2.90 132.00 134.88 2jtq h PRO 10 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2jtq h PRO 10 Cb 1.32 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.41 2jtq h PRO 10 CO 0.56 0.05 0.50 1.49 -0.23 0.00 0.00 178.00 180.37 2jtq h GLU 11 N 0.00 1.27 0.00 0.86 4.81 -1.97 -2.44 114.58 117.11 2jtq h GLU 11 Ca -0.00 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 58.93 2jtq h GLU 11 Cb 0.67 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2jtq h GLU 11 CO 0.01 0.92 -0.73 1.96 -0.73 0.00 0.00 179.01 180.44 2jtq h GLN 12 N 1.27 0.00 -0.78 1.92 4.20 -1.88 -2.81 115.11 117.03 2jtq h GLN 12 Ca 0.32 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.08 2jtq h GLN 12 Cb 0.02 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.75 2jtq h GLN 12 CO -0.05 0.73 0.51 -0.92 -0.67 0.00 0.00 178.83 178.43 2jtq h TYR 13 N 0.00 0.88 0.00 2.96 3.20 -1.48 -0.47 116.97 122.05 2jtq h TYR 13 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2jtq h TYR 13 Cb 1.53 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.51 2jtq h TYR 13 CO 0.00 0.48 0.00 1.04 -1.64 0.00 0.00 178.16 178.04 2jtq n GLN 14 N -4.47 0.93 0.00 1.82 6.02 -0.94 -3.36 117.38 117.38 2jtq n GLN 14 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2jtq n GLN 14 Cb 0.18 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.07 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 0.14 0.16 -3.61 -1.09 1.13 -0.39 -4.10 117.38 109.63 2jtq n GLN 15 Ca 0.00 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.90 2jtq n GLN 15 Cb 0.28 -0.61 -0.07 0.00 0.11 0.00 0.00 30.24 29.95 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 -1.22 0.89 0.05 -1.09 2.12 -0.32 -2.21 118.70 116.92 2jtq s GLU 16 Ca 0.00 0.36 -0.21 0.00 0.36 0.00 0.00 54.97 55.48 2jtq s GLU 16 Cb 0.00 0.42 0.05 0.00 0.26 0.00 0.00 34.13 34.86 2jtq s GLU 16 CO 0.00 -0.23 0.49 -1.58 -0.54 0.00 0.00 175.26 173.40 2jtq s HIS 17 N -0.76 -0.38 0.36 5.30 2.46 0.00 -3.98 115.29 118.30 2jtq s HIS 17 Ca -0.08 0.38 -0.27 0.00 0.47 0.00 0.00 55.06 55.56 2jtq s HIS 17 Cb -0.02 0.31 -0.09 0.00 -0.13 0.00 0.00 32.58 32.65 2jtq s HIS 17 CO 0.06 -0.63 1.16 0.08 -2.47 0.00 0.00 174.74 172.94 2jtq s VAL 18 N -2.56 3.21 0.00 0.89 1.01 -1.26 -0.75 120.40 120.94 2jtq s VAL 18 Ca -0.05 1.08 -0.02 0.00 0.00 0.00 0.00 61.98 63.00 2jtq s VAL 18 Cb -0.01 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 2jtq s VAL 18 CO -0.03 0.16 2.29 1.67 0.00 0.00 0.00 175.10 179.19 2jtq n GLN 19 N 0.42 1.19 0.00 2.72 7.27 -0.36 -3.54 117.38 125.08 2jtq n GLN 19 Ca 0.02 -0.32 0.00 0.00 0.07 0.00 0.00 57.00 56.77 2jtq n GLN 19 Cb 0.46 -1.39 0.00 0.00 2.41 0.00 0.00 30.24 31.72 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 1.94 0.00 3.41 1.69 0.00 -1.26 -4.98 105.19 105.99 2jtq n GLY 20 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.00 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 1.17 -0.03 4.61 0.00 -1.23 -4.48 121.76 121.80 2jtq s ALA 21 Ca 0.00 -1.72 0.04 0.00 0.00 0.00 0.00 51.96 50.28 2jtq s ALA 21 Cb 0.00 1.28 -0.01 0.00 0.00 0.00 0.00 23.12 24.39 2jtq s ALA 21 CO 0.00 -0.74 -0.15 0.42 0.00 0.00 0.00 175.76 175.29 2jtq s ILE 22 N -3.22 1.24 -0.18 0.00 1.01 -0.94 -5.02 121.20 114.09 2jtq s ILE 22 Ca 0.34 -0.63 -0.19 0.00 0.00 0.00 0.00 60.65 60.17 2jtq s ILE 22 Cb 0.01 -1.06 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 2jtq s ILE 22 CO 0.23 0.36 0.53 0.21 0.00 0.00 0.00 174.94 176.27 2jtq s ASN 23 N -0.07 6.62 -0.11 3.58 3.84 -1.26 -0.86 114.94 126.67 2jtq s ASN 23 Ca -0.00 0.74 -0.04 0.00 0.21 0.00 0.00 52.86 53.77 2jtq s ASN 23 Cb -0.09 -2.30 0.06 0.00 -0.55 0.00 0.00 41.25 38.36 2jtq s ASN 23 CO 0.01 -0.15 0.20 -0.63 -2.79 0.00 0.00 177.10 173.74 2jtq s ILE 24 N 1.43 -0.32 0.52 -5.21 1.01 -0.96 -4.97 121.20 112.71 2jtq s ILE 24 Ca 0.26 0.28 -0.22 0.00 0.00 0.00 0.00 60.65 60.97 2jtq s ILE 24 Cb -0.15 -0.39 -0.06 0.00 0.01 0.00 0.00 42.46 41.87 2jtq s ILE 24 CO 0.10 0.10 1.23 -2.16 0.00 0.00 0.00 174.94 174.21 2jtq s PRO 25 N 2.34 3.39 0.38 2.79 0.04 -1.26 -3.85 135.00 138.83 2jtq s PRO 25 Ca 0.03 1.92 0.14 0.00 0.04 0.00 0.00 61.00 63.12 2jtq s PRO 25 Cb -0.12 -2.24 0.96 0.00 0.04 0.00 0.00 34.50 33.14 2jtq s PRO 25 CO -0.07 -0.90 1.83 1.25 0.04 0.00 0.00 177.00 179.15 2jtq h LEU 26 N 1.59 0.54 -0.86 -3.56 5.85 -1.53 0.17 115.31 117.50 2jtq h LEU 26 Ca -0.50 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.32 2jtq h LEU 26 Cb 1.27 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 2jtq h LEU 26 CO 0.58 0.21 0.55 0.50 -0.34 0.00 0.00 178.44 179.94 2jtq h LYS 27 N 0.54 1.02 -0.14 1.25 1.63 -1.90 -2.19 116.57 116.78 2jtq h LYS 27 Ca 0.51 -0.06 -0.15 0.00 -0.85 0.00 0.00 60.65 60.10 2jtq h LYS 27 Cb 1.08 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 32.48 2jtq h LYS 27 CO -0.24 0.68 -0.48 0.93 -3.45 0.00 0.00 179.45 176.88 2jtq h GLU 28 N 1.05 0.57 -0.81 1.90 5.08 -1.07 -3.34 114.58 117.96 2jtq h GLU 28 Ca 0.35 -0.43 0.18 0.00 -1.00 0.00 0.00 59.36 58.46 2jtq h GLU 28 Cb 0.05 0.08 -0.11 0.00 0.50 0.00 0.00 28.75 29.27 2jtq h GLU 28 CO -0.13 1.05 0.31 0.28 -1.00 0.00 0.00 179.01 179.52 2jtq h VAL 29 N 0.21 0.55 0.00 3.13 2.07 -0.60 0.30 116.25 121.91 2jtq h VAL 29 Ca -0.02 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2jtq h VAL 29 Cb 1.11 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2jtq h VAL 29 CO 0.10 0.07 0.00 1.17 0.02 0.00 0.00 177.57 178.93 2jtq n LYS 30 N -5.05 0.10 0.00 1.57 4.81 -1.03 -0.80 118.16 117.75 2jtq n LYS 30 Ca 0.17 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 2jtq n LYS 30 Cb 0.51 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.06 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 -1.28 0.00 0.26 1.64 2.13 -0.19 -4.84 120.64 118.36 2jtq n GLU 31 Ca 0.03 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.98 2jtq n GLU 31 Cb 0.05 -0.46 0.71 0.00 0.27 0.00 0.00 31.44 32.01 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 -0.62 5.31 2.43 -0.32 -1.59 114.38 119.59 2jtq h ARG 32 Ca 0.00 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.26 2jtq h ARG 32 Cb 0.92 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.43 2jtq h ARG 32 CO 0.00 0.12 0.42 0.97 -1.51 0.00 0.00 179.97 179.97 2jtq h ILE 33 N 0.00 0.93 0.00 1.20 6.09 -1.16 -0.20 117.51 124.37 2jtq h ILE 33 Ca -0.00 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.32 2jtq h ILE 33 Cb 0.35 0.39 0.00 0.00 0.47 0.00 0.00 36.82 38.03 2jtq h ILE 33 CO 0.02 0.09 0.00 0.00 -3.07 0.00 0.00 178.15 175.19 2jtq h ALA 34 N 1.68 1.00 0.00 0.18 0.00 -1.48 0.30 119.26 120.94 2jtq h ALA 34 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.85 2jtq h ALA 34 Cb 0.46 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 2jtq h ALA 34 CO -0.09 0.00 -2.29 2.41 0.00 0.00 0.00 179.25 179.28 2jtq n THR 35 N -2.74 1.30 0.05 0.00 -1.04 -0.21 -3.67 114.28 107.97 2jtq n THR 35 Ca -0.02 -0.67 -0.11 0.00 -2.04 0.00 0.00 64.05 61.22 2jtq n THR 35 Cb 0.10 -0.86 0.01 0.00 -1.82 0.00 0.00 70.33 67.76 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 0.52 0.54 -2.10 2.41 0.00 -0.59 -3.39 119.26 116.65 2jtq h ALA 36 Ca -0.51 -0.63 -0.51 0.00 0.00 0.00 0.00 54.91 53.25 2jtq h ALA 36 Cb 2.00 -0.05 -0.34 0.00 0.00 0.00 0.00 17.79 19.39 2jtq h ALA 36 CO -0.02 0.78 -0.91 0.28 0.00 0.00 0.00 179.25 179.38 2jtq n VAL 37 N -3.81 -0.99 0.26 0.00 0.31 0.10 -4.97 118.33 109.22 2jtq n VAL 37 Ca -0.05 -3.05 0.13 0.00 -0.01 0.00 0.00 64.34 61.36 2jtq n VAL 37 Cb 0.74 -1.22 0.68 0.00 -0.91 0.00 0.00 33.84 33.13 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 5.41 0.00 -7.17 5.55 0.13 -1.70 -3.39 132.00 130.84 2jtq h PRO 38 Ca 0.22 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.93 2jtq h PRO 38 Cb 0.94 0.00 0.20 0.00 0.13 0.00 0.00 31.00 32.28 2jtq h PRO 38 CO 0.32 0.13 0.00 0.34 -0.23 0.00 0.00 178.00 178.57 2jtq s ASP 39 N -6.08 0.47 0.00 1.44 -1.08 -1.26 -5.03 116.67 105.12 2jtq s ASP 39 Ca -0.02 1.14 0.00 0.00 -0.52 0.00 0.00 52.55 53.15 2jtq s ASP 39 Cb 0.12 -1.73 0.00 0.00 -1.46 0.00 0.00 42.92 39.85 2jtq s ASP 39 CO 0.59 -4.46 0.00 0.29 0.52 0.00 0.00 175.17 172.10 2jtq n LYS 40 N -5.06 3.10 0.06 4.34 4.76 -1.26 -4.83 118.16 119.27 2jtq n LYS 40 Ca 0.07 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.62 2jtq n LYS 40 Cb 0.57 -0.62 -0.02 0.00 -1.84 0.00 0.00 35.03 33.12 2jtq n LYS 40 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2jtq n ASN 41 N -0.56 0.60 -4.68 4.39 5.15 -1.26 -0.92 115.26 117.97 2jtq n ASN 41 Ca 0.00 0.11 -0.42 0.00 -0.60 0.00 0.00 54.58 53.67 2jtq n ASN 41 Cb 0.05 0.85 -0.03 0.00 -0.53 0.00 0.00 39.78 40.12 2jtq n ASN 41 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2jtq s ASP 42 N -4.76 6.44 -0.56 1.20 1.01 -1.26 -4.52 116.67 114.22 2jtq s ASP 42 Ca -0.01 2.72 -0.26 0.00 0.71 0.00 0.00 52.55 55.71 2jtq s ASP 42 Cb 0.12 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.45 2jtq s ASP 42 CO 0.82 -1.01 2.10 -0.89 0.21 0.00 0.00 175.17 176.39 2jtq s THR 43 N 3.15 3.21 -0.25 -1.27 2.01 -0.28 -4.69 115.64 117.53 2jtq s THR 43 Ca 0.82 0.12 -0.29 0.00 0.31 0.00 0.00 61.69 62.65 2jtq s THR 43 Cb -0.45 -3.54 -0.00 0.00 0.01 0.00 0.00 72.50 68.52 2jtq s THR 43 CO 0.37 -0.52 1.24 -0.69 -0.69 0.00 0.00 174.62 174.33 2jtq s VAL 44 N 10.42 4.27 -0.60 3.82 1.01 -1.08 -0.66 120.40 137.59 2jtq s VAL 44 Ca 0.80 1.49 -0.17 0.00 0.00 0.00 0.00 61.98 64.11 2jtq s VAL 44 Cb -0.15 -4.14 0.13 0.00 0.00 0.00 0.00 36.38 32.23 2jtq s VAL 44 CO 0.23 -0.32 0.60 -0.54 0.00 0.00 0.00 175.10 175.07 2jtq s LYS 45 N 3.79 3.09 0.14 2.72 1.02 0.16 -1.00 119.74 129.66 2jtq s LYS 45 Ca 0.54 -1.69 -0.29 0.00 0.02 0.00 0.00 55.97 54.55 2jtq s LYS 45 Cb -0.18 -4.32 -0.07 0.00 -0.52 0.00 0.00 37.83 32.74 2jtq s LYS 45 CO 0.18 -1.40 0.91 0.14 -0.92 0.00 0.00 175.35 174.26 2jtq s VAL 46 N 1.77 4.40 0.10 3.17 -7.23 -0.71 -1.39 120.40 120.50 2jtq s VAL 46 Ca 0.08 1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 62.12 2jtq s VAL 46 Cb -0.26 -4.28 0.00 0.00 0.56 0.00 0.00 36.38 32.41 2jtq s VAL 46 CO 0.02 0.40 0.23 -0.72 -0.31 0.00 0.00 175.10 174.72 2jtq s TYR 47 N -0.45 0.12 0.37 2.82 1.13 -0.63 -0.86 117.35 119.85 2jtq s TYR 47 Ca 0.43 -0.53 -0.14 0.00 -1.41 0.00 0.00 57.07 55.42 2jtq s TYR 47 Cb -0.24 -0.01 0.04 0.00 -1.10 0.00 0.00 41.96 40.66 2jtq s TYR 47 CO 0.29 -0.58 0.73 0.00 -2.51 0.00 0.00 175.55 173.48 2jtq h ASN 49 N 2.02 0.76 1.49 0.00 -1.24 -1.96 0.10 115.58 116.76 2jtq h ASN 49 Ca -0.30 -0.62 0.00 0.00 0.71 0.00 0.00 56.30 56.09 2jtq h ASN 49 Cb 1.25 -0.23 0.00 0.00 0.73 0.00 0.00 38.32 40.06 2jtq h ASN 49 CO 0.39 1.42 0.00 0.00 -1.29 0.00 0.00 177.43 177.94 2jtq h ALA 50 N 0.53 1.00 0.00 1.57 0.00 -1.98 -3.37 119.26 117.01 2jtq h ALA 50 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jtq h ALA 50 Cb 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2jtq h ALA 50 CO 0.19 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.85 2jtq n GLY 51 N 0.90 0.97 0.28 0.00 0.00 -1.23 -4.77 105.19 101.33 2jtq n GLY 51 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.12 -0.25 1.61 2.43 -1.92 0.51 114.38 116.64 2jtq h ARG 52 Ca 0.00 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 2jtq h ARG 52 Cb 0.00 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2jtq h ARG 52 CO 0.00 -0.08 -0.36 0.37 -1.51 0.00 0.00 179.97 178.39 2jtq h GLN 53 N -0.13 0.55 0.00 0.20 4.15 -1.96 -1.07 115.11 116.85 2jtq h GLN 53 Ca 0.23 -0.26 -0.08 0.00 0.77 0.00 0.00 58.65 59.30 2jtq h GLN 53 Cb 0.49 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 2jtq h GLN 53 CO -0.58 0.84 -0.40 0.66 -1.93 0.00 0.00 178.83 177.42 2jtq h SER 54 N 0.46 0.00 0.25 -0.69 4.64 -1.69 -0.10 113.55 116.44 2jtq h SER 54 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 2jtq h SER 54 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2jtq h SER 54 CO 0.07 0.40 -0.12 1.23 -0.87 0.00 0.00 176.83 177.54 2jtq h GLY 55 N 1.39 -0.36 0.89 -0.77 0.00 0.28 0.40 103.07 104.91 2jtq h GLY 55 Ca -0.00 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.49 2jtq h GLY 55 CO 0.05 -0.13 0.52 1.46 0.00 0.00 0.00 176.54 178.44 2jtq h GLN 56 N -0.41 0.99 -0.85 4.80 1.08 -1.21 -2.29 115.11 117.21 2jtq h GLN 56 Ca -0.03 -0.06 0.02 0.00 -1.45 0.00 0.00 58.65 57.13 2jtq h GLN 56 Cb 0.31 -0.22 -0.05 0.00 -0.05 0.00 0.00 27.48 27.47 2jtq h GLN 56 CO 0.06 0.65 0.56 0.00 -0.95 0.00 0.00 178.83 179.15 2jtq h ALA 57 N 1.33 1.43 -0.61 3.87 0.00 -0.66 0.19 119.26 124.81 2jtq h ALA 57 Ca 0.32 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 2jtq h ALA 57 Cb -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 2jtq h ALA 57 CO -0.11 0.50 0.35 -0.22 0.00 0.00 0.00 179.25 179.77 2jtq h LYS 58 N 1.11 0.84 -0.13 0.00 3.64 -0.35 -0.11 116.57 121.58 2jtq h LYS 58 Ca 0.33 -0.09 -0.02 0.00 -1.27 0.00 0.00 60.65 59.60 2jtq h LYS 58 Cb -0.05 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.60 2jtq h LYS 58 CO -0.09 0.62 0.00 0.93 -2.27 0.00 0.00 179.45 178.65 2jtq h GLU 59 N 0.82 0.22 -0.06 1.90 5.08 -1.17 -1.94 114.58 119.43 2jtq h GLU 59 Ca 0.21 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.53 2jtq h GLU 59 Cb 0.02 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2jtq h GLU 59 CO -0.04 0.46 -0.10 0.82 -1.00 0.00 0.00 179.01 179.16 2jtq h ILE 60 N -0.04 0.73 -0.13 3.13 2.04 -0.77 -0.45 117.51 122.02 2jtq h ILE 60 Ca 0.04 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.78 2jtq h ILE 60 Cb 0.36 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2jtq h ILE 60 CO 0.01 0.00 -0.44 -0.07 0.00 0.00 0.00 178.15 177.64 2jtq h LEU 61 N -0.14 0.33 -0.59 1.44 3.38 -1.00 -0.05 115.31 118.67 2jtq h LEU 61 Ca 0.06 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2jtq h LEU 61 Cb 0.22 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 2jtq h LEU 61 CO -0.15 0.73 0.29 0.28 0.09 0.00 0.00 178.44 179.68 2jtq h SER 62 N 0.25 0.77 -0.01 -0.43 0.02 -0.94 -1.36 113.55 111.85 2jtq h SER 62 Ca 0.02 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.75 2jtq h SER 62 Cb 0.88 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 2jtq h SER 62 CO 0.07 0.68 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.86 2jtq h GLU 63 N 0.81 0.42 0.00 3.45 5.08 -0.58 -1.62 114.58 122.13 2jtq h GLU 63 Ca 0.20 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2jtq h GLU 63 Cb 0.11 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2jtq h GLU 63 CO -0.03 0.65 0.00 0.52 -1.00 0.00 0.00 179.01 179.15 2jtq h MET 64 N 0.37 0.00 0.00 2.33 2.86 -0.68 -3.46 114.93 116.34 2jtq h MET 64 Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 2jtq h MET 64 Cb 0.65 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2jtq h MET 64 CO 0.05 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.43 2jtq n GLY 65 N -0.44 1.11 3.64 8.32 0.00 -0.61 -5.06 105.19 112.15 2jtq n GLY 65 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 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 1.89 -0.75 1.61 1.51 -0.57 -4.87 117.35 114.17 2jtq s TYR 66 Ca 0.00 0.35 0.26 0.00 -1.01 0.00 0.00 57.07 56.67 2jtq s TYR 66 Cb 0.00 -3.98 0.88 0.00 -0.11 0.00 0.00 41.96 38.75 2jtq s TYR 66 CO 0.00 -3.56 1.79 0.25 -1.11 0.00 0.00 175.55 172.91 2jtq n THR 67 N 6.21 0.55 -3.65 -0.71 -2.24 -0.10 -4.43 114.28 109.91 2jtq n THR 67 Ca 0.20 -0.19 -0.23 0.00 -2.27 0.00 0.00 64.05 61.56 2jtq n THR 67 Cb 0.44 -0.64 -0.18 0.00 -2.10 0.00 0.00 70.33 67.86 2jtq n THR 67 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2jtq s HIS 68 N -3.11 0.14 0.00 4.78 5.65 -0.91 -4.94 115.29 116.90 2jtq s HIS 68 Ca 0.10 -0.01 -0.05 0.00 0.25 0.00 0.00 55.06 55.36 2jtq s HIS 68 Cb 0.13 -0.58 -0.00 0.00 -1.18 0.00 0.00 32.58 30.94 2jtq s HIS 68 CO 0.56 -0.33 0.08 0.08 -0.65 0.00 0.00 174.74 174.48 2jtq s VAL 69 N 2.15 0.08 0.03 0.89 1.01 -1.26 -2.62 120.40 120.68 2jtq s VAL 69 Ca 0.04 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2jtq s VAL 69 Cb -0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 2jtq s VAL 69 CO -0.06 -0.38 -0.04 -0.70 0.00 0.00 0.00 175.10 173.92 2jtq s GLU 70 N -1.27 0.43 -0.13 2.72 2.56 -0.17 -4.89 118.70 117.95 2jtq s GLU 70 Ca -0.14 -0.76 -0.17 0.00 0.00 0.00 0.00 54.97 53.90 2jtq s GLU 70 Cb -0.08 -0.00 -0.04 0.00 2.00 0.00 0.00 34.13 36.01 2jtq s GLU 70 CO 0.01 -0.03 0.44 1.21 -0.56 0.00 0.00 175.26 176.33 2jtq s ASN 71 N -1.74 6.63 -0.08 -1.70 3.84 -1.26 -1.74 114.94 118.88 2jtq s ASN 71 Ca -0.10 0.75 0.17 0.00 0.21 0.00 0.00 52.86 53.88 2jtq s ASN 71 Cb -0.07 -2.26 0.34 0.00 -0.55 0.00 0.00 41.25 38.71 2jtq s ASN 71 CO -0.02 0.02 1.15 0.00 -2.79 0.00 0.00 177.10 175.46 2jtq n ALA 72 N 3.68 2.67 -1.63 1.71 0.00 -0.04 -4.93 120.51 121.97 2jtq n ALA 72 Ca -0.08 -2.44 -0.37 0.00 0.00 0.00 0.00 53.44 50.55 2jtq n ALA 72 Cb 0.52 -0.55 0.07 0.00 0.00 0.00 0.00 19.45 19.48 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 0.03 0.28 0.00 0.00 -1.23 -4.67 105.19 99.32 2jtq n GLY 73 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.94 2jtq n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jtq n GLY 74 N 1.12 -0.33 0.38 -0.02 0.00 0.35 -4.78 105.19 101.91 2jtq n GLY 74 Ca 0.15 -0.76 0.16 0.00 0.00 0.00 0.00 46.02 45.57 2jtq n GLY 74 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jtq h LEU 75 N 0.00 0.40 -0.67 0.99 -0.00 -1.78 -0.35 115.31 113.91 2jtq h LEU 75 Ca 0.00 0.03 -0.11 0.00 -0.00 0.00 0.00 57.88 57.80 2jtq h LEU 75 Cb 0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 40.66 40.59 2jtq h LEU 75 CO 0.00 0.20 -0.51 0.07 -0.00 0.00 0.00 178.44 178.19 2jtq h LYS 76 N 0.42 0.00 0.03 1.13 2.10 -1.93 -3.29 116.57 115.03 2jtq h LYS 76 Ca 0.40 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.83 2jtq h LYS 76 Cb 0.92 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.24 2jtq h LYS 76 CO -0.13 0.51 -0.99 0.22 -2.00 0.00 0.00 179.45 177.06 2jtq h ASP 77 N 0.00 0.16 -0.75 7.07 3.58 -1.36 -3.26 116.42 121.85 2jtq h ASP 77 Ca -0.01 -0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.30 2jtq h ASP 77 Cb 1.10 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.07 2jtq h ASP 77 CO 0.07 1.05 0.50 0.40 -2.88 0.00 0.00 179.24 178.37 2jtq h ILE 78 N 0.04 1.20 -4.38 2.25 2.04 -1.59 -3.46 117.51 113.61 2jtq h ILE 78 Ca -0.04 -0.36 -0.17 0.00 1.00 0.00 0.00 64.86 65.29 2jtq h ILE 78 Cb 1.69 0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 2jtq h ILE 78 CO 0.14 0.19 -0.22 0.00 0.00 0.00 0.00 178.15 178.26 2jtq n ALA 79 N -2.31 -0.88 -2.14 1.87 0.00 -1.23 -4.99 120.51 110.83 2jtq n ALA 79 Ca 0.07 0.06 -0.27 0.00 0.00 0.00 0.00 53.44 53.30 2jtq n ALA 79 Cb 0.02 -1.23 0.02 0.00 0.00 0.00 0.00 19.45 18.26 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 -5.10 3.12 0.70 0.00 -1.94 -1.26 -5.07 119.30 109.75 2jtq s MET 80 Ca 0.03 0.05 -0.16 0.00 -1.71 0.00 0.00 55.69 53.89 2jtq s MET 80 Cb -0.02 -2.31 -0.04 0.00 2.01 0.00 0.00 34.83 34.47 2jtq s MET 80 CO 0.04 -0.53 0.56 -2.30 -0.01 0.00 0.00 175.02 172.77 2jtq n PRO 81 N -2.47 0.35 -4.50 2.03 -0.02 -1.26 -4.88 135.00 124.25 2jtq n PRO 81 Ca 0.03 0.16 -0.24 0.00 -2.02 0.00 0.00 63.50 61.43 2jtq n PRO 81 Cb 0.57 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 32.12 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 1.80 0.01 -0.52 -0.14 -1.26 -1.22 119.74 115.71 2jtq s LYS 82 Ca 0.66 -2.05 0.03 0.00 -1.36 0.00 0.00 55.97 53.26 2jtq s LYS 82 Cb -0.36 -0.87 -0.01 0.00 -1.68 0.00 0.00 37.83 34.90 2jtq s LYS 82 CO 0.57 -0.29 -0.10 0.08 -0.76 0.00 0.00 175.35 174.84 2jtq s VAL 83 N -3.21 0.82 0.05 3.17 1.01 0.07 -4.55 120.40 117.76 2jtq s VAL 83 Ca 0.30 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.65 2jtq s VAL 83 Cb 0.06 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.68 2jtq s VAL 83 CO 0.14 0.10 -0.03 -0.54 0.00 0.00 0.00 175.10 174.77 2jtq s LYS 84 N -0.59 0.62 0.00 2.72 1.02 -1.26 -0.82 119.74 121.43 2jtq s LYS 84 Ca 0.02 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.79 2jtq s LYS 84 Cb -0.05 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 2jtq s LYS 84 CO 0.00 -0.10 0.00 0.41 -0.92 0.00 0.00 175.35 174.74