#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 0.83 0.13 0.00 2.12 -1.26 -0.88 118.70 119.63 2jtq s GLU 2 Ca 0.00 0.16 -0.06 0.00 0.36 0.00 0.00 54.97 55.43 2jtq s GLU 2 Cb 0.00 0.38 -0.02 0.00 0.26 0.00 0.00 34.13 34.76 2jtq s GLU 2 CO 0.00 -0.23 0.17 -1.01 -0.54 0.00 0.00 175.26 173.65 2jtq s HIS 3 N -1.00 0.49 -0.18 5.30 3.76 -0.42 -4.88 115.29 118.37 2jtq s HIS 3 Ca -0.10 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 53.92 2jtq s HIS 3 Cb -0.03 -0.21 0.04 0.00 1.11 0.00 0.00 32.58 33.49 2jtq s HIS 3 CO 0.06 -0.59 -0.10 -1.58 -0.85 0.00 0.00 174.74 171.67 2jtq s TRP 4 N -3.96 2.21 -0.30 1.40 0.52 -1.26 -0.75 118.94 116.79 2jtq s TRP 4 Ca 0.16 -1.39 -0.03 0.00 0.02 0.00 0.00 56.10 54.85 2jtq s TRP 4 Cb 0.05 -1.56 0.04 0.00 -1.15 0.00 0.00 33.47 30.85 2jtq s TRP 4 CO -0.03 -0.70 0.03 0.42 0.02 0.00 0.00 176.95 176.69 2jtq s ILE 5 N 1.47 3.25 -0.83 2.03 -1.09 -0.27 -1.18 121.20 124.58 2jtq s ILE 5 Ca 0.01 -1.23 -0.25 0.00 -2.23 0.00 0.00 60.65 56.95 2jtq s ILE 5 Cb -0.15 -2.82 0.02 0.00 -1.58 0.00 0.00 42.46 37.93 2jtq s ILE 5 CO -0.09 -0.08 1.51 -0.62 -1.23 0.00 0.00 174.94 174.44 2jtq s ASP 6 N 1.32 5.99 0.00 3.58 2.15 0.36 -1.81 116.67 128.26 2jtq s ASP 6 Ca -0.03 -0.67 0.28 0.00 0.43 0.00 0.00 52.55 52.56 2jtq s ASP 6 Cb -0.19 -2.56 1.62 0.00 -0.30 0.00 0.00 42.92 41.49 2jtq s ASP 6 CO -0.00 -1.94 2.01 1.33 -0.17 0.00 0.00 175.17 176.40 2jtq n VAL 7 N 6.87 0.03 -0.90 1.11 0.24 0.11 -2.35 118.33 123.44 2jtq n VAL 7 Ca 0.20 0.01 -0.29 0.00 -2.04 0.00 0.00 64.34 62.21 2jtq n VAL 7 Cb 0.50 -0.56 0.18 0.00 -1.47 0.00 0.00 33.84 32.49 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 -2.15 0.42 0.56 7.34 3.52 -1.25 -1.90 118.95 125.50 2jtq s ARG 8 Ca 0.38 0.93 -0.21 0.00 -0.13 0.00 0.00 55.73 56.70 2jtq s ARG 8 Cb 0.19 -1.70 -0.04 0.00 -1.56 0.00 0.00 34.95 31.84 2jtq s ARG 8 CO 0.35 -2.84 1.35 1.33 -0.81 0.00 0.00 175.30 174.68 2jtq n VAL 9 N -4.31 4.03 0.34 7.11 0.24 -1.26 -4.10 118.33 120.37 2jtq n VAL 9 Ca 0.06 -0.50 0.14 0.00 -2.04 0.00 0.00 64.34 62.00 2jtq n VAL 9 Cb 0.54 -1.64 0.46 0.00 -1.47 0.00 0.00 33.84 31.73 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 1.29 0.00 -0.70 7.34 0.13 -1.95 -2.96 132.00 135.15 2jtq h PRO 10 Ca -0.51 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.58 2jtq h PRO 10 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 2jtq h PRO 10 CO 0.56 0.00 0.29 1.49 -0.23 0.00 0.00 178.00 180.12 2jtq h GLU 11 N 0.00 1.03 0.00 0.86 4.81 -2.01 -3.09 114.58 116.18 2jtq h GLU 11 Ca 0.00 -0.17 -0.17 0.00 -0.13 0.00 0.00 59.36 58.89 2jtq h GLU 11 Cb 0.66 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 2jtq h GLU 11 CO 0.00 0.83 -0.83 1.96 -0.73 0.00 0.00 179.01 180.24 2jtq h GLN 12 N 1.01 0.00 -0.98 1.92 4.20 -1.90 -3.01 115.11 116.36 2jtq h GLN 12 Ca 0.24 0.00 0.11 0.00 0.06 0.00 0.00 58.65 59.06 2jtq h GLN 12 Cb 0.17 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 27.88 2jtq h GLN 12 CO -0.02 0.83 0.62 -0.92 -0.67 0.00 0.00 178.83 178.67 2jtq h TYR 13 N 0.00 1.09 0.00 2.96 3.20 -1.61 -0.38 116.97 122.23 2jtq h TYR 13 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jtq h TYR 13 Cb 1.59 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.52 2jtq h TYR 13 CO 0.00 0.46 0.00 1.04 -1.64 0.00 0.00 178.16 178.02 2jtq n GLN 14 N -4.58 0.39 -0.10 1.82 6.02 -1.14 -3.17 117.38 116.62 2jtq n GLN 14 Ca 0.18 0.07 -0.16 0.00 -0.01 0.00 0.00 57.00 57.08 2jtq n GLN 14 Cb 0.34 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.02 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 -1.17 0.45 -3.63 -1.09 1.13 -0.22 -3.71 117.38 109.14 2jtq n GLN 15 Ca 0.11 0.14 -0.14 0.00 -1.94 0.00 0.00 57.00 55.16 2jtq n GLN 15 Cb 0.11 -1.31 -0.07 0.00 0.11 0.00 0.00 30.24 29.08 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 -2.37 0.82 0.11 -1.09 2.12 -0.81 -0.98 118.70 116.50 2jtq s GLU 16 Ca -0.26 0.96 -0.17 0.00 0.36 0.00 0.00 54.97 55.86 2jtq s GLU 16 Cb 0.08 0.40 0.04 0.00 0.26 0.00 0.00 34.13 34.91 2jtq s GLU 16 CO 0.40 -0.10 0.42 -3.38 -0.54 0.00 0.00 175.26 172.05 2jtq s HIS 17 N 0.34 -0.24 0.25 5.30 -3.43 -0.39 -4.21 115.29 112.91 2jtq s HIS 17 Ca -0.00 0.00 -0.30 0.00 -0.80 0.00 0.00 55.06 53.96 2jtq s HIS 17 Cb -0.05 0.27 -0.10 0.00 -1.43 0.00 0.00 32.58 31.27 2jtq s HIS 17 CO 0.01 -0.68 1.48 0.08 -2.00 0.00 0.00 174.74 173.63 2jtq s VAL 18 N -3.49 2.55 0.08 -5.38 1.01 -1.26 -1.10 120.40 112.80 2jtq s VAL 18 Ca 0.01 0.45 -0.31 0.00 0.00 0.00 0.00 61.98 62.14 2jtq s VAL 18 Cb 0.01 -3.29 -0.09 0.00 0.00 0.00 0.00 36.38 33.01 2jtq s VAL 18 CO -0.10 0.07 1.85 -1.58 0.00 0.00 0.00 175.10 175.34 2jtq s GLN 19 N -0.24 4.15 0.00 2.72 0.74 -0.13 -2.03 119.66 124.88 2jtq s GLN 19 Ca 0.61 2.55 0.00 0.00 0.05 0.00 0.00 55.36 58.57 2jtq s GLN 19 Cb -0.43 -3.81 0.00 0.00 1.10 0.00 0.00 33.01 29.87 2jtq s GLN 19 CO 0.43 -0.87 0.00 0.41 -0.55 0.00 0.00 175.29 174.71 2jtq n GLY 20 N 4.31 0.86 3.64 2.59 0.00 -1.26 -4.92 105.19 110.40 2jtq n GLY 20 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 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 -3.15 0.74 -0.05 4.61 0.00 -0.86 -4.80 121.76 118.25 2jtq s ALA 21 Ca 0.00 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.50 2jtq s ALA 21 Cb 0.00 -3.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 2jtq s ALA 21 CO 0.00 -3.12 -0.22 0.42 0.00 0.00 0.00 175.76 172.84 2jtq s ILE 22 N -2.95 2.38 -0.18 0.00 1.01 -0.33 -5.01 121.20 116.12 2jtq s ILE 22 Ca 0.67 -0.96 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 2jtq s ILE 22 Cb -0.17 -1.88 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 2jtq s ILE 22 CO 0.58 0.57 0.25 0.21 0.00 0.00 0.00 174.94 176.55 2jtq s ASN 23 N -0.40 6.35 -0.06 3.58 3.84 -1.26 -0.49 114.94 126.50 2jtq s ASN 23 Ca 0.04 0.40 -0.03 0.00 0.21 0.00 0.00 52.86 53.49 2jtq s ASN 23 Cb -0.12 -2.16 0.04 0.00 -0.55 0.00 0.00 41.25 38.46 2jtq s ASN 23 CO 0.02 0.10 0.11 -0.63 -2.79 0.00 0.00 177.10 173.91 2jtq s ILE 24 N 0.59 -0.17 0.47 -5.21 1.01 -0.99 -4.96 121.20 111.94 2jtq s ILE 24 Ca 0.14 0.35 -0.23 0.00 0.00 0.00 0.00 60.65 60.90 2jtq s ILE 24 Cb -0.13 -0.22 -0.07 0.00 0.01 0.00 0.00 42.46 42.05 2jtq s ILE 24 CO 0.03 0.14 1.26 -2.16 0.00 0.00 0.00 174.94 174.22 2jtq s PRO 25 N 2.00 3.62 0.34 2.79 0.04 -1.26 -3.98 135.00 138.57 2jtq s PRO 25 Ca 0.01 2.02 0.12 0.00 0.04 0.00 0.00 61.00 63.19 2jtq s PRO 25 Cb -0.12 -2.46 0.94 0.00 0.04 0.00 0.00 34.50 32.90 2jtq s PRO 25 CO -0.05 -0.73 1.75 1.25 0.04 0.00 0.00 177.00 179.26 2jtq h LEU 26 N 2.04 0.61 -1.07 -3.56 5.85 -1.64 0.16 115.31 117.70 2jtq h LEU 26 Ca -0.50 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.37 2jtq h LEU 26 Cb 1.26 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 2jtq h LEU 26 CO 0.60 0.13 0.63 0.50 -0.34 0.00 0.00 178.44 179.96 2jtq h LYS 27 N 0.55 1.15 0.06 1.25 1.63 -1.90 -2.23 116.57 117.08 2jtq h LYS 27 Ca 0.61 -0.07 -0.24 0.00 -0.85 0.00 0.00 60.65 60.10 2jtq h LYS 27 Cb 1.26 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 2jtq h LYS 27 CO -0.39 0.76 -1.13 0.93 -3.45 0.00 0.00 179.45 176.17 2jtq h GLU 28 N 1.18 0.13 -0.86 1.90 5.08 -1.07 -3.33 114.58 117.61 2jtq h GLU 28 Ca 0.39 -0.22 0.16 0.00 -1.00 0.00 0.00 59.36 58.69 2jtq h GLU 28 Cb 0.05 0.08 -0.10 0.00 0.50 0.00 0.00 28.75 29.28 2jtq h GLU 28 CO -0.13 1.10 0.44 0.28 -1.00 0.00 0.00 179.01 179.70 2jtq h VAL 29 N 0.03 0.70 0.00 3.13 2.07 -0.70 0.28 116.25 121.77 2jtq h VAL 29 Ca -0.07 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2jtq h VAL 29 Cb 1.87 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 2jtq h VAL 29 CO 0.16 0.11 0.00 1.17 0.02 0.00 0.00 177.57 179.03 2jtq n LYS 30 N -4.88 0.18 0.00 1.57 4.81 -1.11 -1.33 118.16 117.40 2jtq n LYS 30 Ca 0.18 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2jtq n LYS 30 Cb 0.46 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.01 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 -1.12 0.00 0.25 1.64 2.13 -0.35 -4.87 120.64 118.31 2jtq n GLU 31 Ca 0.05 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.97 2jtq n GLU 31 Cb 0.04 -0.38 0.63 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 -0.17 5.31 2.43 -0.39 -1.39 114.38 120.16 2jtq h ARG 32 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2jtq h ARG 32 Cb 0.74 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2jtq h ARG 32 CO 0.00 0.17 0.03 0.97 -1.51 0.00 0.00 179.97 179.62 2jtq h ILE 33 N 0.00 1.10 -0.60 1.20 6.09 -1.40 -0.73 117.51 123.16 2jtq h ILE 33 Ca -0.00 -0.35 -0.03 0.00 -1.37 0.00 0.00 64.86 63.11 2jtq h ILE 33 Cb 0.42 0.94 -0.03 0.00 0.47 0.00 0.00 36.82 38.63 2jtq h ILE 33 CO 0.02 0.12 0.25 0.00 -3.07 0.00 0.00 178.15 175.47 2jtq h ALA 34 N 1.79 1.31 0.10 0.18 0.00 -1.49 0.26 119.26 121.42 2jtq h ALA 34 Ca 0.06 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.54 2jtq h ALA 34 Cb 0.12 -0.24 0.02 0.00 0.00 0.00 0.00 17.79 17.69 2jtq h ALA 34 CO -0.00 0.52 -1.19 1.79 0.00 0.00 0.00 179.25 180.37 2jtq h THR 35 N 0.86 1.37 0.12 0.00 1.35 -1.52 -3.16 112.91 111.92 2jtq h THR 35 Ca 0.21 -2.63 -0.27 0.00 -0.55 0.00 0.00 66.41 63.16 2jtq h THR 35 Cb 0.15 2.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 2jtq h THR 35 CO -0.02 0.79 -1.21 0.00 -0.25 0.00 0.00 175.52 174.83 2jtq h ALA 36 N 0.47 0.13 -1.54 6.62 0.00 -0.79 -3.41 119.26 120.74 2jtq h ALA 36 Ca -0.15 -0.86 -0.48 0.00 0.00 0.00 0.00 54.91 53.41 2jtq h ALA 36 Cb 1.86 0.01 -0.33 0.00 0.00 0.00 0.00 17.79 19.33 2jtq h ALA 36 CO 0.21 0.95 -0.97 0.28 0.00 0.00 0.00 179.25 179.73 2jtq n VAL 37 N -3.56 -0.54 0.29 0.00 0.31 0.89 -4.99 118.33 110.73 2jtq n VAL 37 Ca -0.08 -3.43 0.17 0.00 -0.01 0.00 0.00 64.34 60.98 2jtq n VAL 37 Cb 1.00 -1.16 0.87 0.00 -0.91 0.00 0.00 33.84 33.64 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 3.99 0.00 -6.14 5.55 0.13 -1.68 -3.40 132.00 130.45 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 0.92 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.00 2jtq h PRO 38 CO 0.43 0.05 1.25 0.34 -0.23 0.00 0.00 178.00 179.84 2jtq s ASP 39 N -5.78 5.62 0.37 1.44 2.15 -1.26 -4.87 116.67 114.34 2jtq s ASP 39 Ca -0.03 0.21 0.26 0.00 0.43 0.00 0.00 52.55 53.42 2jtq s ASP 39 Cb 0.12 -2.54 1.34 0.00 -0.30 0.00 0.00 42.92 41.54 2jtq s ASP 39 CO 0.53 -2.13 1.79 0.11 -0.17 0.00 0.00 175.17 175.30 2jtq h LYS 40 N 13.20 0.00 -0.40 4.34 1.57 -1.94 -1.53 116.57 131.81 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 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2jtq h LYS 40 CO 1.22 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 178.39 2jtq n ASN 41 N -2.41 3.16 -4.76 0.86 5.15 -1.26 -1.07 115.26 114.94 2jtq n ASN 41 Ca -0.01 -1.95 -0.38 0.00 -0.60 0.00 0.00 54.58 51.64 2jtq n ASN 41 Cb 0.08 -0.26 0.02 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 -1.42 5.68 -1.22 1.20 2.15 -0.58 -4.64 116.67 117.83 2jtq s ASP 42 Ca 0.38 2.57 -0.21 0.00 0.43 0.00 0.00 52.55 55.73 2jtq s ASP 42 Cb 0.22 -2.62 -0.01 0.00 -0.30 0.00 0.00 42.92 40.21 2jtq s ASP 42 CO 0.30 -1.28 1.82 -0.89 -0.17 0.00 0.00 175.17 174.96 2jtq s THR 43 N -1.40 3.83 -0.83 1.71 2.01 -0.06 -4.37 115.64 116.52 2jtq s THR 43 Ca 0.68 -1.37 -0.25 0.00 0.31 0.00 0.00 61.69 61.06 2jtq s THR 43 Cb -0.35 -4.87 -0.01 0.00 0.01 0.00 0.00 72.50 67.27 2jtq s THR 43 CO 0.42 -1.51 1.77 -0.69 -0.69 0.00 0.00 174.62 173.92 2jtq s VAL 44 N 7.59 3.54 0.31 3.82 1.01 -1.23 -1.30 120.40 134.13 2jtq s VAL 44 Ca 0.61 -0.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 2jtq s VAL 44 Cb 0.01 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 2jtq s VAL 44 CO 0.09 -1.21 1.20 -0.54 0.00 0.00 0.00 175.10 174.65 2jtq s LYS 45 N 6.52 4.45 -0.05 2.72 -0.14 0.07 -1.88 119.74 131.43 2jtq s LYS 45 Ca 0.61 2.00 0.04 0.00 -1.36 0.00 0.00 55.97 57.26 2jtq s LYS 45 Cb -0.07 -3.09 -0.00 0.00 -1.68 0.00 0.00 37.83 32.99 2jtq s LYS 45 CO 0.05 -0.02 -0.17 0.14 -0.76 0.00 0.00 175.35 174.59 2jtq s VAL 46 N -1.18 1.45 0.15 3.17 -7.23 -0.52 -1.11 120.40 115.13 2jtq s VAL 46 Ca 0.48 -0.71 -0.07 0.00 -1.81 0.00 0.00 61.98 59.86 2jtq s VAL 46 Cb -0.35 -1.25 -0.01 0.00 0.56 0.00 0.00 36.38 35.32 2jtq s VAL 46 CO 0.46 0.42 0.23 -0.72 -0.31 0.00 0.00 175.10 175.19 2jtq s TYR 47 N 0.17 0.47 0.00 2.82 1.13 -0.75 -0.80 117.35 120.39 2jtq s TYR 47 Ca -0.07 -0.84 0.00 0.00 -1.41 0.00 0.00 57.07 54.75 2jtq s TYR 47 Cb -0.13 -0.14 0.00 0.00 -1.10 0.00 0.00 41.96 40.60 2jtq s TYR 47 CO 0.03 -0.67 0.00 0.00 -2.51 0.00 0.00 175.55 172.40 2jtq s ASN 49 N 1.26 6.65 -0.99 0.00 3.84 -1.26 -3.73 114.94 120.71 2jtq s ASN 49 Ca 0.00 1.87 0.00 0.00 0.21 0.00 0.00 52.86 54.94 2jtq s ASN 49 Cb 0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.17 2jtq s ASN 49 CO 0.00 -0.99 0.00 0.00 -2.79 0.00 0.00 177.10 173.32 2jtq n ALA 50 N 7.41 -0.43 -0.92 1.71 0.00 -1.26 -2.28 120.51 124.73 2jtq n ALA 50 Ca 0.17 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2jtq n ALA 50 Cb 0.44 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.42 0.35 0.31 0.00 0.00 -1.20 -4.80 105.19 99.42 2jtq n GLY 51 Ca -0.11 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.10 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 0.86 0.00 0.00 1.61 0.11 -1.77 -3.03 114.38 112.17 2jtq h ARG 52 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2jtq h ARG 52 Cb 0.32 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.40 2jtq h ARG 52 CO 0.00 0.02 -0.67 0.94 0.10 0.00 0.00 179.97 180.36 2jtq n GLN 53 N -3.28 2.23 0.15 0.08 7.27 -1.26 -4.67 117.38 117.91 2jtq n GLN 53 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 2jtq n GLN 53 Cb 0.13 -0.83 0.26 0.00 2.41 0.00 0.00 30.24 32.21 2jtq n GLN 53 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 2jtq h SER 54 N 0.00 0.03 -0.25 1.69 4.64 -1.84 -0.32 113.55 117.51 2jtq h SER 54 Ca 0.00 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2jtq h SER 54 Cb 0.23 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.30 2jtq h SER 54 CO 0.00 0.51 0.15 1.23 -0.87 0.00 0.00 176.83 177.84 2jtq h GLY 55 N 1.42 0.36 1.13 -0.77 0.00 -1.81 0.16 103.07 103.56 2jtq h GLY 55 Ca -0.00 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 2jtq h GLY 55 CO 0.06 0.14 0.24 -1.61 0.00 0.00 0.00 176.54 175.38 2jtq h GLN 56 N 0.31 1.09 -0.86 4.80 5.75 -1.78 -2.94 115.11 121.47 2jtq h GLN 56 Ca 0.09 -0.22 -0.03 0.00 -0.15 0.00 0.00 58.65 58.34 2jtq h GLN 56 Cb 0.02 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 2jtq h GLN 56 CO -0.02 0.92 0.42 0.00 -2.65 0.00 0.00 178.83 177.51 2jtq h ALA 57 N 1.20 1.11 -0.57 3.38 0.00 -0.56 -0.74 119.26 123.08 2jtq h ALA 57 Ca 0.24 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.05 2jtq h ALA 57 Cb 0.27 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 2jtq h ALA 57 CO -0.01 0.66 0.28 -0.22 0.00 0.00 0.00 179.25 179.96 2jtq h LYS 58 N 1.22 0.51 -0.03 0.00 3.64 -0.80 0.09 116.57 121.20 2jtq h LYS 58 Ca 0.30 -0.03 -0.19 0.00 -1.27 0.00 0.00 60.65 59.45 2jtq h LYS 58 Cb 0.10 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 2jtq h LYS 58 CO -0.04 0.33 -0.81 0.93 -2.27 0.00 0.00 179.45 177.60 2jtq h GLU 59 N 0.52 0.33 -0.43 1.90 4.39 -1.42 -0.77 114.58 119.10 2jtq h GLU 59 Ca 0.26 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2jtq h GLU 59 Cb 0.21 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 2jtq h GLU 59 CO -0.20 0.97 0.25 0.82 -1.16 0.00 0.00 179.01 179.69 2jtq h ILE 60 N 0.21 1.14 -0.03 3.13 2.04 -0.76 0.50 117.51 123.75 2jtq h ILE 60 Ca -0.04 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.35 2jtq h ILE 60 Cb 1.41 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 2jtq h ILE 60 CO 0.13 0.15 -0.55 -0.07 0.00 0.00 0.00 178.15 177.81 2jtq h LEU 61 N 0.56 0.08 -0.87 1.44 3.38 -0.83 -1.04 115.31 118.04 2jtq h LEU 61 Ca 0.15 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2jtq h LEU 61 Cb 0.02 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2jtq h LEU 61 CO -0.03 0.62 0.17 0.28 0.09 0.00 0.00 178.44 179.57 2jtq h SER 62 N 0.06 0.95 -0.47 -0.43 0.02 -0.79 -0.96 113.55 111.93 2jtq h SER 62 Ca -0.00 -0.18 -0.07 0.00 -0.84 0.00 0.00 61.79 60.70 2jtq h SER 62 Cb 0.99 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2jtq h SER 62 CO 0.08 0.91 0.06 -0.08 -1.14 0.00 0.00 176.83 176.66 2jtq h GLU 63 N 0.97 0.85 0.00 3.45 4.81 -0.37 -0.58 114.58 123.71 2jtq h GLU 63 Ca 0.21 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2jtq h GLU 63 Cb 0.32 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.59 2jtq h GLU 63 CO -0.00 0.81 0.00 -1.33 -0.73 0.00 0.00 179.01 177.76 2jtq n MET 64 N -4.23 0.25 -0.94 1.92 2.81 -0.44 -4.89 117.12 111.59 2jtq n MET 64 Ca 0.03 0.13 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 2jtq n MET 64 Cb 0.27 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 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 0.01 0.43 3.73 3.03 0.00 -0.23 -5.02 105.19 107.13 2jtq n GLY 65 Ca 0.08 -0.97 -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 3.22 -1.66 1.61 1.51 -0.43 -4.93 117.35 114.67 2jtq s TYR 66 Ca 0.00 1.03 0.23 0.00 -1.01 0.00 0.00 57.07 57.32 2jtq s TYR 66 Cb 0.00 -3.68 0.08 0.00 -0.11 0.00 0.00 41.96 38.25 2jtq s TYR 66 CO 0.00 -2.30 1.13 0.25 -1.11 0.00 0.00 175.55 173.52 2jtq n THR 67 N 3.36 0.00 -2.42 -0.71 -2.24 -0.23 -4.41 114.28 107.64 2jtq n THR 67 Ca 0.09 -0.15 0.04 0.00 -2.27 0.00 0.00 64.05 61.76 2jtq n THR 67 Cb 0.42 1.00 0.03 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.60 0.00 -1.58 4.78 -0.00 -1.24 -4.97 115.22 111.60 2jtq n HIS 68 Ca 0.08 -0.53 -0.37 0.00 0.46 0.00 0.00 57.72 57.36 2jtq n HIS 68 Cb 0.41 -0.15 0.06 0.00 -0.12 0.00 0.00 29.99 30.19 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 0.37 3.73 -3.71 3.57 0.24 -1.26 -3.55 118.33 117.72 2jtq n VAL 69 Ca 0.06 -0.48 -0.13 0.00 -2.04 0.00 0.00 64.34 61.75 2jtq n VAL 69 Cb 1.10 -1.16 -0.14 0.00 -1.47 0.00 0.00 33.84 32.17 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 -2.92 0.15 0.13 7.34 2.12 -0.79 -4.90 118.70 119.83 2jtq s GLU 70 Ca 0.77 0.57 -0.30 0.00 0.36 0.00 0.00 54.97 56.37 2jtq s GLU 70 Cb -0.40 -0.13 -0.06 0.00 0.26 0.00 0.00 34.13 33.80 2jtq s GLU 70 CO 0.46 -0.21 1.01 1.21 -0.54 0.00 0.00 175.26 177.19 2jtq s ASN 71 N 1.69 7.43 -0.08 -1.70 3.84 -1.26 -1.44 114.94 123.41 2jtq s ASN 71 Ca -0.05 1.89 0.12 0.00 0.21 0.00 0.00 52.86 55.03 2jtq s ASN 71 Cb -0.11 -2.59 0.19 0.00 -0.55 0.00 0.00 41.25 38.18 2jtq s ASN 71 CO -0.08 -0.11 1.08 0.00 -2.79 0.00 0.00 177.10 175.20 2jtq n ALA 72 N 2.66 2.14 -0.81 1.71 0.00 0.02 -4.88 120.51 121.36 2jtq n ALA 72 Ca 0.02 -2.03 0.00 0.00 0.00 0.00 0.00 53.44 51.43 2jtq n ALA 72 Cb 0.48 -0.29 0.00 0.00 0.00 0.00 0.00 19.45 19.64 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 -1.05 2.72 3.83 0.00 0.00 -1.25 -4.65 105.19 104.80 2jtq n GLY 73 Ca 0.10 0.15 -0.07 0.00 0.00 0.00 0.00 46.02 46.20 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 0.64 -0.02 0.00 -1.26 -2.34 107.32 104.35 2jtq s GLY 74 Ca 0.00 -0.40 0.31 0.00 0.00 0.00 0.00 44.72 44.63 2jtq s GLY 74 CO 0.00 -0.16 1.97 1.41 0.00 0.00 0.00 173.10 176.32 2jtq h LEU 75 N 2.02 0.00 -0.67 0.66 3.38 -1.88 -0.79 115.31 118.03 2jtq h LEU 75 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2jtq h LEU 75 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2jtq h LEU 75 CO 0.25 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.89 2jtq h LYS 76 N 0.00 0.00 0.00 1.13 1.57 -1.97 -3.36 116.57 113.94 2jtq h LYS 76 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2jtq h LYS 76 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 2jtq h LYS 76 CO -0.00 0.00 0.00 -3.47 -0.57 0.00 0.00 179.45 175.41 2jtq n ASP 77 N -2.67 0.02 -0.12 0.86 2.03 -0.33 -4.82 116.55 111.51 2jtq n ASP 77 Ca 0.03 -0.29 -0.04 0.00 0.52 0.00 0.00 54.79 55.01 2jtq n ASP 77 Cb 0.35 0.51 0.17 0.00 -0.72 0.00 0.00 41.12 41.43 2jtq n ASP 77 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2jtq h ILE 78 N 0.01 1.24 -6.47 5.18 2.04 -1.64 -3.48 117.51 114.39 2jtq h ILE 78 Ca 0.00 -0.91 -0.49 0.00 1.00 0.00 0.00 64.86 64.46 2jtq h ILE 78 Cb 0.01 0.77 0.05 0.00 -0.74 0.00 0.00 36.82 36.91 2jtq h ILE 78 CO 0.00 0.33 -0.96 0.00 0.00 0.00 0.00 178.15 177.52 2jtq n ALA 79 N -2.47 -2.58 -2.34 1.87 0.00 -1.26 -5.04 120.51 108.70 2jtq n ALA 79 Ca 0.03 -0.36 -0.17 0.00 0.00 0.00 0.00 53.44 52.94 2jtq n ALA 79 Cb 0.26 -3.60 -0.10 0.00 0.00 0.00 0.00 19.45 16.01 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 -6.46 1.32 0.81 0.00 -1.94 -1.26 -5.15 119.30 106.63 2jtq s MET 80 Ca 0.48 -1.64 -0.14 0.00 -1.71 0.00 0.00 55.69 52.68 2jtq s MET 80 Cb -0.20 -0.79 0.06 0.00 2.01 0.00 0.00 34.83 35.91 2jtq s MET 80 CO 0.90 -0.00 1.03 -0.35 -0.01 0.00 0.00 175.02 176.59 2jtq n PRO 81 N -0.40 0.15 -4.33 2.03 -0.04 -1.26 -4.89 135.00 126.25 2jtq n PRO 81 Ca -0.07 0.12 -0.17 0.00 -0.04 0.00 0.00 63.50 63.34 2jtq n PRO 81 Cb 0.63 -2.29 -0.10 0.00 -0.04 0.00 0.00 33.50 31.69 2jtq n PRO 81 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2jtq s LYS 82 N -3.88 1.47 0.01 0.54 1.02 -1.26 -0.96 119.74 116.69 2jtq s LYS 82 Ca 0.71 -1.81 0.01 0.00 0.02 0.00 0.00 55.97 54.89 2jtq s LYS 82 Cb -0.29 -0.21 -0.01 0.00 -0.52 0.00 0.00 37.83 36.80 2jtq s LYS 82 CO 0.53 -0.35 -0.04 0.08 -0.92 0.00 0.00 175.35 174.66 2jtq s VAL 83 N -3.71 0.25 0.05 3.17 1.01 -0.26 -4.50 120.40 116.41 2jtq s VAL 83 Ca 0.37 -0.50 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 2jtq s VAL 83 Cb 0.07 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 36.13 2jtq s VAL 83 CO 0.15 -0.17 -0.00 -0.54 0.00 0.00 0.00 175.10 174.54 2jtq s LYS 84 N -0.70 0.57 0.00 2.72 1.02 -1.26 -1.26 119.74 120.83 2jtq s LYS 84 Ca -0.05 -1.05 0.00 0.00 0.02 0.00 0.00 55.97 54.88 2jtq s LYS 84 Cb -0.05 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 2jtq s LYS 84 CO -0.00 -0.11 0.43 0.41 -0.92 0.00 0.00 175.35 175.15