#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 0.50 0.07 0.00 2.12 -1.26 -1.56 118.70 118.56 2jtq s GLU 2 Ca 0.00 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.81 2jtq s GLU 2 Cb 0.00 0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.59 2jtq s GLU 2 CO 0.00 -0.07 -0.05 -1.01 -0.54 0.00 0.00 175.26 173.59 2jtq s HIS 3 N 0.03 0.67 -0.08 5.30 3.76 0.03 -4.87 115.29 120.13 2jtq s HIS 3 Ca -0.02 -0.92 0.04 0.00 -0.15 0.00 0.00 55.06 54.01 2jtq s HIS 3 Cb -0.03 -0.43 0.00 0.00 1.11 0.00 0.00 32.58 33.23 2jtq s HIS 3 CO 0.01 -0.25 -0.21 -1.58 -0.85 0.00 0.00 174.74 171.86 2jtq s TRP 4 N -3.44 2.25 -0.25 1.40 0.52 -1.26 -1.13 118.94 117.02 2jtq s TRP 4 Ca 0.06 -0.85 -0.00 0.00 0.02 0.00 0.00 56.10 55.34 2jtq s TRP 4 Cb 0.04 -1.52 0.07 0.00 -1.15 0.00 0.00 33.47 30.92 2jtq s TRP 4 CO -0.06 -0.34 0.01 0.42 0.02 0.00 0.00 176.95 177.00 2jtq s ILE 5 N 0.30 1.24 -0.27 2.03 -1.09 -0.27 -1.29 121.20 121.84 2jtq s ILE 5 Ca -0.14 -1.23 -0.29 0.00 -2.23 0.00 0.00 60.65 56.76 2jtq s ILE 5 Cb -0.16 -1.69 -0.02 0.00 -1.58 0.00 0.00 42.46 39.01 2jtq s ILE 5 CO 0.07 -0.30 1.57 -0.62 -1.23 0.00 0.00 174.94 174.43 2jtq s ASP 6 N 1.49 6.34 0.00 3.58 2.15 0.02 -1.32 116.67 128.94 2jtq s ASP 6 Ca 0.00 1.41 0.20 0.00 0.43 0.00 0.00 52.55 54.59 2jtq s ASP 6 Cb -0.18 -2.53 0.31 0.00 -0.30 0.00 0.00 42.92 40.21 2jtq s ASP 6 CO -0.11 -1.32 1.26 1.33 -0.17 0.00 0.00 175.17 176.16 2jtq n VAL 7 N 6.62 0.37 -0.81 1.11 0.24 -0.21 -1.11 118.33 124.55 2jtq n VAL 7 Ca 0.19 -0.69 -0.29 0.00 -2.04 0.00 0.00 64.34 61.51 2jtq n VAL 7 Cb 0.46 1.08 0.23 0.00 -1.47 0.00 0.00 33.84 34.14 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 -1.43 -0.67 0.40 7.34 3.52 -1.25 -1.73 118.95 125.13 2jtq s ARG 8 Ca 0.31 0.56 -0.27 0.00 -0.13 0.00 0.00 55.73 56.20 2jtq s ARG 8 Cb 0.19 -1.60 -0.09 0.00 -1.56 0.00 0.00 34.95 31.88 2jtq s ARG 8 CO 0.27 -3.49 1.36 0.14 -0.81 0.00 0.00 175.30 172.77 2jtq s VAL 9 N -2.68 2.41 0.08 7.11 -7.23 -1.26 -4.35 120.40 114.48 2jtq s VAL 9 Ca 0.68 0.38 0.33 0.00 -1.81 0.00 0.00 61.98 61.56 2jtq s VAL 9 Cb -0.21 -3.23 0.38 0.00 0.56 0.00 0.00 36.38 33.89 2jtq s VAL 9 CO 0.61 0.07 1.98 1.55 -0.31 0.00 0.00 175.10 179.00 2jtq h PRO 10 N 2.75 0.00 0.00 4.82 0.13 -1.97 -2.60 132.00 135.14 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 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jtq h PRO 10 CO 0.63 0.00 -0.05 0.93 -0.23 0.00 0.00 178.00 179.28 2jtq h GLU 11 N 0.00 0.00 0.00 0.86 5.08 -1.99 -2.34 114.58 116.19 2jtq h GLU 11 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.11 2jtq h GLU 11 Cb 0.48 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2jtq h GLU 11 CO 0.00 0.05 -1.66 1.04 -1.00 0.00 0.00 179.01 177.44 2jtq n GLN 12 N -4.44 0.63 -0.34 2.33 6.02 -0.98 -3.86 117.38 116.74 2jtq n GLN 12 Ca -0.03 0.24 0.02 0.00 -0.01 0.00 0.00 57.00 57.22 2jtq n GLN 12 Cb 0.13 -1.77 0.16 0.00 1.02 0.00 0.00 30.24 29.78 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 1.11 0.00 1.08 3.20 -1.47 -0.34 116.97 120.55 2jtq h TYR 13 Ca -0.26 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2jtq h TYR 13 Cb 1.86 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 39.77 2jtq h TYR 13 CO 0.00 0.57 0.00 1.04 -1.64 0.00 0.00 178.16 178.13 2jtq n GLN 14 N -4.55 0.41 -0.00 1.82 6.02 -0.91 -3.09 117.38 117.07 2jtq n GLN 14 Ca 0.14 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2jtq n GLN 14 Cb 0.18 -1.44 -0.00 0.00 1.02 0.00 0.00 30.24 30.00 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 -0.94 1.24 -3.66 -1.09 6.02 -0.26 -3.44 117.38 115.26 2jtq n GLN 15 Ca 0.09 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.98 2jtq n GLN 15 Cb 0.04 -1.01 -0.08 0.00 1.02 0.00 0.00 30.24 30.21 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 -2.01 0.65 0.06 -1.09 2.12 -0.47 -2.56 118.70 115.39 2jtq s GLU 16 Ca -0.01 1.02 -0.16 0.00 0.36 0.00 0.00 54.97 56.18 2jtq s GLU 16 Cb 0.00 0.17 0.03 0.00 0.26 0.00 0.00 34.13 34.59 2jtq s GLU 16 CO 0.02 -0.13 0.36 -3.38 -0.54 0.00 0.00 175.26 171.59 2jtq s HIS 17 N 1.17 -0.18 0.27 5.30 -3.43 -0.30 -4.17 115.29 113.95 2jtq s HIS 17 Ca -0.07 0.06 -0.30 0.00 -0.80 0.00 0.00 55.06 53.95 2jtq s HIS 17 Cb -0.06 0.17 -0.11 0.00 -1.43 0.00 0.00 32.58 31.15 2jtq s HIS 17 CO -0.12 -0.56 1.53 0.08 -2.00 0.00 0.00 174.74 173.68 2jtq s VAL 18 N -2.71 2.30 0.12 -5.38 1.01 -1.26 -1.02 120.40 113.45 2jtq s VAL 18 Ca -0.04 0.25 -0.33 0.00 0.00 0.00 0.00 61.98 61.87 2jtq s VAL 18 Cb -0.00 -3.16 -0.12 0.00 0.00 0.00 0.00 36.38 33.09 2jtq s VAL 18 CO -0.04 0.04 1.74 1.67 0.00 0.00 0.00 175.10 178.51 2jtq n GLN 19 N 2.25 2.48 -0.89 2.72 7.27 -0.25 -2.18 117.38 128.78 2jtq n GLN 19 Ca 0.08 0.90 0.00 0.00 0.07 0.00 0.00 57.00 58.05 2jtq n GLN 19 Cb 0.38 -2.74 0.00 0.00 2.41 0.00 0.00 30.24 30.30 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 3.95 0.74 3.60 1.69 0.00 -1.26 -4.99 105.19 108.92 2jtq n GLY 20 Ca 0.18 0.00 -0.30 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 -2.83 0.66 0.01 4.61 0.00 -0.93 -4.72 121.76 118.56 2jtq s ALA 21 Ca 0.00 -1.11 0.06 0.00 0.00 0.00 0.00 51.96 50.91 2jtq s ALA 21 Cb 0.00 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 2jtq s ALA 21 CO 0.00 -3.68 -0.19 0.42 0.00 0.00 0.00 175.76 172.30 2jtq s ILE 22 N -3.09 1.54 -0.27 0.00 1.01 -0.41 -4.98 121.20 115.00 2jtq s ILE 22 Ca 0.73 -0.99 -0.19 0.00 0.00 0.00 0.00 60.65 60.19 2jtq s ILE 22 Cb -0.07 -1.32 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 2jtq s ILE 22 CO 0.55 0.30 0.58 0.21 0.00 0.00 0.00 174.94 176.58 2jtq s ASN 23 N -0.81 6.50 -0.36 3.58 3.84 -1.26 -0.80 114.94 125.63 2jtq s ASN 23 Ca 0.07 0.57 0.01 0.00 0.21 0.00 0.00 52.86 53.72 2jtq s ASN 23 Cb -0.08 -2.31 0.15 0.00 -0.55 0.00 0.00 41.25 38.45 2jtq s ASN 23 CO 0.00 -0.36 0.27 -0.63 -2.79 0.00 0.00 177.10 173.60 2jtq s ILE 24 N 2.44 -0.04 0.75 -5.21 1.01 -0.26 -4.96 121.20 114.93 2jtq s ILE 24 Ca 0.24 -1.44 -0.15 0.00 0.00 0.00 0.00 60.65 59.30 2jtq s ILE 24 Cb -0.15 -0.95 0.04 0.00 0.01 0.00 0.00 42.46 41.41 2jtq s ILE 24 CO 0.09 -0.84 1.17 -0.81 0.00 0.00 0.00 174.94 174.55 2jtq n PRO 25 N 4.12 0.47 -0.34 2.79 -0.04 -1.25 -3.99 135.00 136.76 2jtq n PRO 25 Ca 0.12 0.23 0.15 0.00 -0.04 0.00 0.00 63.50 63.95 2jtq n PRO 25 Cb 0.40 -2.41 0.36 0.00 -0.04 0.00 0.00 33.50 31.81 2jtq n PRO 25 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2jtq h LEU 26 N -0.44 0.71 -1.42 1.53 5.85 -1.59 0.27 115.31 120.23 2jtq h LEU 26 Ca -0.48 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 2jtq h LEU 26 Cb 1.32 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.29 2jtq h LEU 26 CO 0.48 0.24 0.09 0.07 -0.34 0.00 0.00 178.44 178.98 2jtq h LYS 27 N 0.69 0.48 0.15 1.25 2.10 -1.89 -2.95 116.57 116.40 2jtq h LYS 27 Ca 0.57 -0.07 -0.24 0.00 -2.00 0.00 0.00 60.65 58.92 2jtq h LYS 27 Cb 0.99 -0.09 0.01 0.00 -0.90 0.00 0.00 32.23 32.25 2jtq h LYS 27 CO -0.35 0.44 -1.10 0.93 -2.00 0.00 0.00 179.45 177.36 2jtq h GLU 28 N 0.48 0.31 -0.84 0.07 5.08 -0.87 -3.39 114.58 115.41 2jtq h GLU 28 Ca 0.12 -0.52 0.13 0.00 -1.00 0.00 0.00 59.36 58.08 2jtq h GLU 28 Cb 0.17 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 2jtq h GLU 28 CO -0.01 1.25 0.55 -0.24 -1.00 0.00 0.00 179.01 179.56 2jtq h VAL 29 N -0.29 0.86 0.00 3.13 3.04 -0.83 0.36 116.25 122.52 2jtq h VAL 29 Ca -0.21 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.25 2jtq h VAL 29 Cb 1.74 0.15 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 2jtq h VAL 29 CO 0.13 0.12 0.00 0.50 -1.01 0.00 0.00 177.57 177.31 2jtq h LYS 30 N 0.65 0.00 0.00 4.17 3.64 -1.75 -1.06 116.57 122.23 2jtq h LYS 30 Ca 0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 2jtq h LYS 30 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2jtq h LYS 30 CO -0.17 0.00 -0.88 -1.91 -2.27 0.00 0.00 179.45 174.22 2jtq n GLU 31 N -2.31 0.00 0.24 1.90 2.13 0.06 -4.84 120.64 117.82 2jtq n GLU 31 Ca -0.02 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.90 2jtq n GLU 31 Cb 0.04 -0.61 0.60 0.00 0.27 0.00 0.00 31.44 31.74 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 -0.52 5.31 2.43 -0.34 -1.61 114.38 119.65 2jtq h ARG 32 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 2jtq h ARG 32 Cb 0.88 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 2jtq h ARG 32 CO 0.00 0.19 0.34 0.97 -1.51 0.00 0.00 179.97 179.96 2jtq h ILE 33 N 0.00 1.08 0.00 1.20 6.09 -1.38 -0.48 117.51 124.01 2jtq h ILE 33 Ca -0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 2jtq h ILE 33 Cb 0.46 0.41 0.00 0.00 0.47 0.00 0.00 36.82 38.16 2jtq h ILE 33 CO 0.02 0.11 0.00 0.00 -3.07 0.00 0.00 178.15 175.22 2jtq h ALA 34 N 1.69 1.00 0.01 0.18 0.00 -1.52 0.19 119.26 120.81 2jtq h ALA 34 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.74 2jtq h ALA 34 Cb 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.77 2jtq h ALA 34 CO -0.05 0.00 -2.40 2.41 0.00 0.00 0.00 179.25 179.21 2jtq n THR 35 N -3.07 1.46 0.09 0.00 -1.04 -0.41 -4.02 114.28 107.30 2jtq n THR 35 Ca -0.02 -0.70 -0.12 0.00 -2.04 0.00 0.00 64.05 61.16 2jtq n THR 35 Cb 0.10 -1.02 -0.09 0.00 -1.82 0.00 0.00 70.33 67.50 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 0.45 0.29 -1.86 2.41 0.00 -0.56 -3.39 119.26 116.60 2jtq h ALA 36 Ca -0.55 -0.83 -0.53 0.00 0.00 0.00 0.00 54.91 53.01 2jtq h ALA 36 Cb 2.06 -0.05 -0.36 0.00 0.00 0.00 0.00 17.79 19.44 2jtq h ALA 36 CO -0.03 0.99 -1.03 0.28 0.00 0.00 0.00 179.25 179.47 2jtq n VAL 37 N -3.56 -0.70 0.20 0.00 0.31 0.62 -4.99 118.33 110.21 2jtq n VAL 37 Ca -0.05 -3.65 0.05 0.00 -0.01 0.00 0.00 64.34 60.68 2jtq n VAL 37 Cb 0.93 -1.56 0.43 0.00 -0.91 0.00 0.00 33.84 32.73 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 4.26 0.00 -6.47 5.55 0.13 -1.70 -3.39 132.00 130.38 2jtq h PRO 38 Ca 0.08 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.66 2jtq h PRO 38 Cb 0.90 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.96 2jtq h PRO 38 CO 0.43 0.31 1.04 0.34 -0.23 0.00 0.00 178.00 179.89 2jtq s ASP 39 N -6.76 6.27 0.56 1.44 2.15 -1.26 -4.90 116.67 114.17 2jtq s ASP 39 Ca -0.03 0.03 0.37 0.00 0.43 0.00 0.00 52.55 53.36 2jtq s ASP 39 Cb 0.14 -2.55 2.04 0.00 -0.30 0.00 0.00 42.92 42.24 2jtq s ASP 39 CO 0.69 -1.65 2.15 0.11 -0.17 0.00 0.00 175.17 176.31 2jtq h LYS 40 N 10.18 0.00 0.00 4.34 1.57 -1.95 -1.99 116.57 128.71 2jtq h LYS 40 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2jtq h LYS 40 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 2jtq h LYS 40 CO 1.21 0.00 -0.30 -1.71 -0.57 0.00 0.00 179.45 178.08 2jtq n ASN 41 N -2.82 0.52 -4.76 0.86 5.15 -1.26 -2.23 115.26 110.72 2jtq n ASN 41 Ca -0.02 0.24 -0.41 0.00 -0.60 0.00 0.00 54.58 53.78 2jtq n ASN 41 Cb 0.07 -0.21 -0.01 0.00 -0.53 0.00 0.00 39.78 39.09 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 -3.74 6.49 0.21 1.20 -1.08 -0.75 -4.66 116.67 114.34 2jtq s ASP 42 Ca 0.10 2.87 -0.30 0.00 -0.52 0.00 0.00 52.55 54.70 2jtq s ASP 42 Cb 0.15 -2.64 -0.10 0.00 -1.46 0.00 0.00 42.92 38.88 2jtq s ASP 42 CO 0.64 -0.80 1.44 -0.89 0.52 0.00 0.00 175.17 176.08 2jtq s THR 43 N -0.42 2.79 -0.54 1.71 2.01 -0.60 -4.58 115.64 116.00 2jtq s THR 43 Ca 0.58 0.63 0.02 0.00 0.31 0.00 0.00 61.69 63.23 2jtq s THR 43 Cb -0.45 -3.40 0.14 0.00 0.01 0.00 0.00 72.50 68.80 2jtq s THR 43 CO 0.51 0.09 0.30 -0.69 -0.69 0.00 0.00 174.62 174.14 2jtq s VAL 44 N 0.31 2.86 -1.14 3.82 1.01 -0.66 -0.79 120.40 125.82 2jtq s VAL 44 Ca 0.61 -3.20 -0.20 0.00 0.00 0.00 0.00 61.98 59.19 2jtq s VAL 44 Cb -0.41 -2.95 0.07 0.00 0.00 0.00 0.00 36.38 33.09 2jtq s VAL 44 CO 0.39 -0.81 1.54 -0.54 0.00 0.00 0.00 175.10 175.68 2jtq s LYS 45 N -0.20 3.78 0.24 2.72 1.02 -0.29 -1.20 119.74 125.82 2jtq s LYS 45 Ca 0.17 -1.60 -0.30 0.00 0.02 0.00 0.00 55.97 54.26 2jtq s LYS 45 Cb -0.24 -5.39 -0.09 0.00 -0.52 0.00 0.00 37.83 31.59 2jtq s LYS 45 CO -0.01 -2.18 1.13 0.14 -0.92 0.00 0.00 175.35 173.52 2jtq s VAL 46 N 4.33 3.52 0.10 3.17 -7.23 -0.61 -1.11 120.40 122.58 2jtq s VAL 46 Ca 0.48 1.43 -0.08 0.00 -1.81 0.00 0.00 61.98 62.01 2jtq s VAL 46 Cb 0.01 -3.91 -0.01 0.00 0.56 0.00 0.00 36.38 33.03 2jtq s VAL 46 CO -0.02 0.30 0.18 -0.72 -0.31 0.00 0.00 175.10 174.53 2jtq s TYR 47 N -0.75 0.26 0.00 2.82 1.13 -0.44 -1.31 117.35 119.07 2jtq s TYR 47 Ca 0.47 -0.69 0.00 0.00 -1.41 0.00 0.00 57.07 55.44 2jtq s TYR 47 Cb -0.32 -0.11 0.00 0.00 -1.10 0.00 0.00 41.96 40.43 2jtq s TYR 47 CO 0.40 -0.57 0.00 0.00 -2.51 0.00 0.00 175.55 172.87 2jtq h ASN 49 N 0.00 0.03 0.00 0.00 -0.73 -1.94 0.19 115.58 113.14 2jtq h ASN 49 Ca 0.00 -0.41 0.00 0.00 1.87 0.00 0.00 56.30 57.76 2jtq h ASN 49 Cb 0.00 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 38.58 2jtq h ASN 49 CO 0.00 0.44 0.00 0.00 -0.37 0.00 0.00 177.43 177.50 2jtq n ALA 50 N -2.31 0.75 0.00 1.57 0.00 -1.26 -2.76 120.51 116.50 2jtq n ALA 50 Ca -0.08 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2jtq n ALA 50 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.67 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 0.08 2.65 0.16 0.00 0.00 -1.26 -4.24 105.19 102.58 2jtq n GLY 51 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 1.18 0.45 -0.07 1.61 0.11 -1.96 0.50 114.38 116.20 2jtq h ARG 52 Ca 0.00 -0.17 -0.18 0.00 0.10 0.00 0.00 59.98 59.73 2jtq h ARG 52 Cb 0.00 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.05 2jtq h ARG 52 CO 0.00 0.68 -0.73 0.37 0.10 0.00 0.00 179.97 180.39 2jtq h GLN 53 N 0.19 0.36 0.00 0.08 4.15 -1.96 -1.69 115.11 116.24 2jtq h GLN 53 Ca 0.06 -0.30 -0.10 0.00 0.77 0.00 0.00 58.65 59.08 2jtq h GLN 53 Cb 0.51 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 2jtq h GLN 53 CO 0.02 0.94 -0.49 0.66 -1.93 0.00 0.00 178.83 178.03 2jtq h SER 54 N 0.24 0.00 -0.04 -0.69 4.64 -1.83 0.03 113.55 115.91 2jtq h SER 54 Ca -0.03 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2jtq h SER 54 Cb 1.30 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2jtq h SER 54 CO 0.12 0.49 0.01 1.23 -0.87 0.00 0.00 176.83 177.81 2jtq h GLY 55 N 1.93 0.06 0.99 -0.77 0.00 -0.45 0.95 103.07 105.78 2jtq h GLY 55 Ca -0.00 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2jtq h GLY 55 CO 0.06 0.03 0.48 1.46 0.00 0.00 0.00 176.54 178.57 2jtq h GLN 56 N -0.12 0.94 -0.98 4.80 1.08 -1.24 -2.48 115.11 117.11 2jtq h GLN 56 Ca 0.01 -0.06 0.04 0.00 -1.45 0.00 0.00 58.65 57.19 2jtq h GLN 56 Cb 0.19 -0.21 -0.06 0.00 -0.05 0.00 0.00 27.48 27.35 2jtq h GLN 56 CO -0.00 0.62 0.64 0.00 -0.95 0.00 0.00 178.83 179.14 2jtq h ALA 57 N 1.27 1.30 -0.35 3.87 0.00 -0.68 0.75 119.26 125.42 2jtq h ALA 57 Ca 0.27 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2jtq h ALA 57 Cb -0.10 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.31 2jtq h ALA 57 CO -0.06 0.53 0.15 -0.22 0.00 0.00 0.00 179.25 179.64 2jtq h LYS 58 N 1.24 0.30 -0.13 0.00 3.64 -0.36 -0.02 116.57 121.24 2jtq h LYS 58 Ca 0.39 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.53 2jtq h LYS 58 Cb 0.00 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2jtq h LYS 58 CO -0.12 0.20 -0.79 0.93 -2.27 0.00 0.00 179.45 177.40 2jtq h GLU 59 N 0.31 0.72 -0.40 1.90 4.39 -1.08 -0.01 114.58 120.41 2jtq h GLU 59 Ca 0.15 -0.60 0.03 0.00 0.34 0.00 0.00 59.36 59.28 2jtq h GLU 59 Cb 0.09 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 2jtq h GLU 59 CO -0.13 1.21 0.21 0.82 -1.16 0.00 0.00 179.01 179.96 2jtq h ILE 60 N 0.49 1.00 0.00 3.13 2.04 -0.74 -0.46 117.51 122.97 2jtq h ILE 60 Ca -0.05 -0.15 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 2jtq h ILE 60 Cb 1.41 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2jtq h ILE 60 CO 0.16 0.08 -0.30 -0.07 0.00 0.00 0.00 178.15 178.02 2jtq h LEU 61 N 0.43 0.00 -0.64 1.44 3.38 -0.84 -1.19 115.31 117.88 2jtq h LEU 61 Ca 0.16 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2jtq h LEU 61 Cb 0.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2jtq h LEU 61 CO -0.10 0.30 0.05 0.28 0.09 0.00 0.00 178.44 179.05 2jtq h SER 62 N 0.00 1.07 0.30 -0.43 0.02 -0.38 -1.27 113.55 112.86 2jtq h SER 62 Ca -0.00 -0.29 -0.08 0.00 -0.84 0.00 0.00 61.79 60.57 2jtq h SER 62 Cb 0.96 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 2jtq h SER 62 CO 0.04 1.09 -0.36 -0.33 -1.14 0.00 0.00 176.83 176.13 2jtq h GLU 63 N 1.01 0.09 0.00 3.45 4.39 -0.64 -0.54 114.58 122.34 2jtq h GLU 63 Ca 0.19 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.85 2jtq h GLU 63 Cb 0.52 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 2jtq h GLU 63 CO 0.02 0.45 0.00 -1.33 -1.16 0.00 0.00 179.01 176.99 2jtq n MET 64 N -4.09 0.24 -1.08 2.33 2.81 -0.49 -4.90 117.12 111.94 2jtq n MET 64 Ca -0.02 0.13 -0.03 0.00 -1.81 0.00 0.00 57.70 55.97 2jtq n MET 64 Cb 0.42 -1.50 -0.01 0.00 -0.71 0.00 0.00 33.22 31.42 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 0.09 0.61 3.70 3.03 0.00 -0.21 -5.00 105.19 107.40 2jtq n GLY 65 Ca 0.08 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.09 2.64 -1.34 1.61 1.51 -0.54 -4.90 117.35 114.25 2jtq s TYR 66 Ca 0.00 0.45 0.27 0.00 -1.01 0.00 0.00 57.07 56.77 2jtq s TYR 66 Cb 0.00 -3.93 0.79 0.00 -0.11 0.00 0.00 41.96 38.71 2jtq s TYR 66 CO 0.00 -3.63 1.60 0.25 -1.11 0.00 0.00 175.55 172.65 2jtq n THR 67 N 4.49 0.00 -2.72 -0.71 -2.24 -0.95 -4.16 114.28 107.99 2jtq n THR 67 Ca 0.15 -0.05 0.01 0.00 -2.27 0.00 0.00 64.05 61.89 2jtq n THR 67 Cb 0.40 0.15 0.04 0.00 -2.10 0.00 0.00 70.33 68.82 2jtq n THR 67 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2jtq n HIS 68 N -1.15 0.73 -1.57 4.78 -0.00 -1.20 -4.97 115.22 111.85 2jtq n HIS 68 Ca 0.09 -1.62 -0.36 0.00 0.46 0.00 0.00 57.72 56.29 2jtq n HIS 68 Cb 0.33 -0.12 0.08 0.00 -0.12 0.00 0.00 29.99 30.16 2jtq n HIS 68 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 2jtq n VAL 69 N -0.32 4.04 -3.70 3.57 0.24 -1.26 -1.66 118.33 119.25 2jtq n VAL 69 Ca 0.05 -0.44 -0.13 0.00 -2.04 0.00 0.00 64.34 61.78 2jtq n VAL 69 Cb 0.90 -1.33 -0.13 0.00 -1.47 0.00 0.00 33.84 31.81 2jtq n VAL 69 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2jtq s GLU 70 N -3.37 0.17 -0.55 7.34 2.12 -0.34 -4.79 118.70 119.28 2jtq s GLU 70 Ca 0.79 0.61 -0.28 0.00 0.36 0.00 0.00 54.97 56.45 2jtq s GLU 70 Cb -0.37 -0.10 0.03 0.00 0.26 0.00 0.00 34.13 33.95 2jtq s GLU 70 CO 0.44 -0.22 1.17 1.21 -0.54 0.00 0.00 175.26 177.32 2jtq s ASN 71 N 1.77 6.48 0.09 -1.70 3.84 -1.26 -1.57 114.94 122.60 2jtq s ASN 71 Ca -0.04 0.17 -0.13 0.00 0.21 0.00 0.00 52.86 53.06 2jtq s ASN 71 Cb -0.11 -2.55 -0.18 0.00 -0.55 0.00 0.00 41.25 37.87 2jtq s ASN 71 CO -0.08 -1.41 1.27 0.00 -2.79 0.00 0.00 177.10 174.08 2jtq h ALA 72 N 9.46 0.25 0.00 1.71 0.00 -1.50 -3.48 119.26 125.70 2jtq h ALA 72 Ca -0.25 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.03 2jtq h ALA 72 Cb 1.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2jtq h ALA 72 CO 1.17 0.69 0.00 0.41 0.00 0.00 0.00 179.25 181.52 2jtq n GLY 73 N 0.84 0.38 3.83 0.00 0.00 -1.25 -4.81 105.19 104.18 2jtq n GLY 73 Ca -0.09 -1.80 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 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 2.08 0.53 -0.02 0.00 -1.26 -2.83 107.32 105.82 2jtq s GLY 74 Ca 0.00 -0.89 0.18 0.00 0.00 0.00 0.00 44.72 44.01 2jtq s GLY 74 CO 0.00 -0.82 2.13 -2.00 0.00 0.00 0.00 173.10 172.41 2jtq h LEU 75 N 3.59 0.00 -0.53 0.66 5.85 -0.76 -0.57 115.31 123.54 2jtq h LEU 75 Ca -0.47 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 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 0.68 0.00 -0.05 0.50 -0.34 0.00 0.00 178.44 179.22 2jtq h LYS 76 N 0.00 0.98 0.04 1.25 1.63 -1.86 -3.06 116.57 115.56 2jtq h LYS 76 Ca 0.04 -0.34 -0.23 0.00 -0.85 0.00 0.00 60.65 59.27 2jtq h LYS 76 Cb 0.15 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.70 2jtq h LYS 76 CO -0.00 1.01 -1.02 0.22 -3.45 0.00 0.00 179.45 176.21 2jtq h ASP 77 N 0.85 0.37 -0.58 4.20 3.58 -1.48 -3.32 116.42 120.04 2jtq h ASP 77 Ca 0.14 -0.33 -0.00 0.00 0.42 0.00 0.00 57.03 57.26 2jtq h ASP 77 Cb 0.61 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 2jtq h ASP 77 CO 0.04 1.18 0.35 0.40 -2.88 0.00 0.00 179.24 178.32 2jtq h ILE 78 N 0.12 1.17 -5.21 2.25 2.04 -1.27 -3.46 117.51 113.15 2jtq h ILE 78 Ca -0.08 -0.40 -0.27 0.00 1.00 0.00 0.00 64.86 65.12 2jtq h ILE 78 Cb 1.70 0.39 -0.08 0.00 -0.74 0.00 0.00 36.82 38.09 2jtq h ILE 78 CO 0.16 0.18 -0.38 0.00 0.00 0.00 0.00 178.15 178.12 2jtq n ALA 79 N -2.29 -1.00 -1.38 1.87 0.00 -1.16 -4.98 120.51 111.57 2jtq n ALA 79 Ca 0.04 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 2jtq n ALA 79 Cb 0.06 -1.77 0.11 0.00 0.00 0.00 0.00 19.45 17.85 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 -5.66 1.72 0.34 0.00 -1.94 -1.26 -5.01 119.30 107.49 2jtq s MET 80 Ca 0.25 0.75 -0.26 0.00 -1.71 0.00 0.00 55.69 54.72 2jtq s MET 80 Cb -0.14 -1.87 -0.13 0.00 2.01 0.00 0.00 34.83 34.70 2jtq s MET 80 CO 0.31 -1.90 0.90 -2.30 -0.01 0.00 0.00 175.02 172.01 2jtq n PRO 81 N -3.64 1.13 -4.26 2.03 -0.02 -1.26 -4.89 135.00 124.09 2jtq n PRO 81 Ca 0.07 0.40 -0.14 0.00 -2.02 0.00 0.00 63.50 61.81 2jtq n PRO 81 Cb 0.56 -1.77 -0.10 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.63 1.10 0.05 -0.52 1.02 -1.26 -1.10 119.74 117.41 2jtq s LYS 82 Ca 0.61 -1.49 0.07 0.00 0.02 0.00 0.00 55.97 55.18 2jtq s LYS 82 Cb -0.67 -0.56 -0.03 0.00 -0.52 0.00 0.00 37.83 36.05 2jtq s LYS 82 CO 0.59 0.02 -0.20 0.08 -0.92 0.00 0.00 175.35 174.92 2jtq s VAL 83 N -3.39 1.62 0.20 3.17 1.01 -0.19 -4.69 120.40 118.12 2jtq s VAL 83 Ca 0.19 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.93 2jtq s VAL 83 Cb 0.04 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2jtq s VAL 83 CO 0.02 0.16 0.17 -0.54 0.00 0.00 0.00 175.10 174.90 2jtq s LYS 84 N -1.26 1.22 0.00 2.72 1.02 -1.26 -1.15 119.74 121.03 2jtq s LYS 84 Ca 0.07 -1.57 0.00 0.00 0.02 0.00 0.00 55.97 54.49 2jtq s LYS 84 Cb -0.09 0.29 0.00 0.00 -0.52 0.00 0.00 37.83 37.51 2jtq s LYS 84 CO 0.02 -0.41 0.00 0.41 -0.92 0.00 0.00 175.35 174.45