#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 0.92 -0.01 0.00 2.12 -1.26 -0.73 118.70 119.75 2jtq s GLU 2 Ca 0.00 0.64 -0.13 0.00 0.36 0.00 0.00 54.97 55.84 2jtq s GLU 2 Cb 0.00 0.44 0.02 0.00 0.26 0.00 0.00 34.13 34.85 2jtq s GLU 2 CO 0.00 -0.20 0.26 -1.01 -0.54 0.00 0.00 175.26 173.77 2jtq s HIS 3 N -0.35 -0.11 -0.26 5.30 3.76 -0.43 -4.88 115.29 118.31 2jtq s HIS 3 Ca -0.05 0.14 -0.14 0.00 -0.15 0.00 0.00 55.06 54.86 2jtq s HIS 3 Cb -0.03 0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.68 2jtq s HIS 3 CO 0.05 -0.37 0.31 -1.58 -0.85 0.00 0.00 174.74 172.30 2jtq s TRP 4 N -1.41 3.26 -0.24 1.40 0.52 -1.26 -0.97 118.94 120.24 2jtq s TRP 4 Ca -0.13 0.34 0.01 0.00 0.02 0.00 0.00 56.10 56.33 2jtq s TRP 4 Cb -0.06 -2.49 0.04 0.00 -1.15 0.00 0.00 33.47 29.81 2jtq s TRP 4 CO 0.03 -0.16 -0.12 0.42 0.02 0.00 0.00 176.95 177.14 2jtq s ILE 5 N 1.82 2.38 -0.38 2.03 -1.09 -0.31 -1.16 121.20 124.49 2jtq s ILE 5 Ca 0.13 -1.27 -0.29 0.00 -2.23 0.00 0.00 60.65 56.99 2jtq s ILE 5 Cb -0.16 -2.24 0.01 0.00 -1.58 0.00 0.00 42.46 38.50 2jtq s ILE 5 CO 0.09 0.18 1.32 -0.62 -1.23 0.00 0.00 174.94 174.68 2jtq s ASP 6 N 1.22 6.53 0.00 3.58 2.15 0.16 -1.80 116.67 128.51 2jtq s ASP 6 Ca -0.03 0.92 0.23 0.00 0.43 0.00 0.00 52.55 54.11 2jtq s ASP 6 Cb -0.17 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.33 2jtq s ASP 6 CO -0.07 -1.26 1.39 1.33 -0.17 0.00 0.00 175.17 176.40 2jtq n VAL 7 N 6.68 0.34 -0.94 1.11 0.24 -0.06 -1.37 118.33 124.33 2jtq n VAL 7 Ca 0.15 -0.64 -0.30 0.00 -2.04 0.00 0.00 64.34 61.51 2jtq n VAL 7 Cb 0.48 1.03 0.15 0.00 -1.47 0.00 0.00 33.84 34.03 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 -1.66 1.09 0.48 7.34 3.52 -1.24 -1.53 118.95 126.94 2jtq s ARG 8 Ca 0.36 1.17 -0.24 0.00 -0.13 0.00 0.00 55.73 56.88 2jtq s ARG 8 Cb 0.22 -1.76 -0.07 0.00 -1.56 0.00 0.00 34.95 31.77 2jtq s ARG 8 CO 0.31 -2.46 1.41 0.14 -0.81 0.00 0.00 175.30 173.88 2jtq s VAL 9 N -2.75 2.08 -0.33 7.11 -7.23 -1.26 -4.22 120.40 113.80 2jtq s VAL 9 Ca 0.65 0.07 0.27 0.00 -1.81 0.00 0.00 61.98 61.16 2jtq s VAL 9 Cb -0.21 -3.04 0.31 0.00 0.56 0.00 0.00 36.38 34.00 2jtq s VAL 9 CO 0.58 0.01 1.80 1.55 -0.31 0.00 0.00 175.10 178.73 2jtq h PRO 10 N 2.09 0.00 -0.76 4.82 0.13 -1.96 -2.53 132.00 133.79 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 1.27 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.37 2jtq h PRO 10 CO 0.60 0.00 0.50 0.93 -0.23 0.00 0.00 178.00 179.80 2jtq h GLU 11 N 0.00 0.97 0.00 0.86 5.08 -2.00 -2.50 114.58 116.99 2jtq h GLU 11 Ca 0.00 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.08 2jtq h GLU 11 Cb 0.51 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 2jtq h GLU 11 CO 0.00 0.64 -1.10 1.96 -1.00 0.00 0.00 179.01 179.51 2jtq h GLN 12 N 1.00 0.00 -0.98 2.33 4.20 -1.83 -3.21 115.11 116.61 2jtq h GLN 12 Ca 0.28 0.00 0.08 0.00 0.06 0.00 0.00 58.65 59.08 2jtq h GLN 12 Cb -0.07 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.64 2jtq h GLN 12 CO -0.07 0.88 0.63 -0.92 -0.67 0.00 0.00 178.83 178.68 2jtq h TYR 13 N 0.00 1.15 0.00 2.96 3.20 -1.48 -0.09 116.97 122.71 2jtq h TYR 13 Ca -0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 2jtq h TYR 13 Cb 1.79 -0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.69 2jtq h TYR 13 CO 0.00 0.55 0.00 1.04 -1.64 0.00 0.00 178.16 178.11 2jtq n GLN 14 N -4.53 0.02 -0.13 1.82 6.02 -0.97 -3.11 117.38 116.50 2jtq n GLN 14 Ca 0.16 0.32 -0.27 0.00 -0.01 0.00 0.00 57.00 57.21 2jtq n GLN 14 Cb 0.24 -1.54 -0.10 0.00 1.02 0.00 0.00 30.24 29.86 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 -1.57 0.58 -3.62 -1.09 1.13 -0.11 -4.17 117.38 108.53 2jtq n GLN 15 Ca 0.03 0.39 -0.16 0.00 -1.94 0.00 0.00 57.00 55.32 2jtq n GLN 15 Cb 0.13 -1.59 -0.07 0.00 0.11 0.00 0.00 30.24 28.82 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 -2.45 0.85 0.17 -1.09 2.12 -0.81 -1.21 118.70 116.28 2jtq s GLU 16 Ca -0.35 0.38 -0.18 0.00 0.36 0.00 0.00 54.97 55.18 2jtq s GLU 16 Cb 0.11 0.40 0.04 0.00 0.26 0.00 0.00 34.13 34.95 2jtq s GLU 16 CO 0.53 -0.21 0.51 -3.38 -0.54 0.00 0.00 175.26 172.17 2jtq s HIS 17 N -0.67 -0.23 0.33 5.30 -3.43 -0.30 -4.17 115.29 112.12 2jtq s HIS 17 Ca -0.08 -0.08 -0.29 0.00 -0.80 0.00 0.00 55.06 53.82 2jtq s HIS 17 Cb -0.03 0.40 -0.10 0.00 -1.43 0.00 0.00 32.58 31.42 2jtq s HIS 17 CO 0.06 -0.85 1.31 0.08 -2.00 0.00 0.00 174.74 173.33 2jtq s VAL 18 N -3.83 2.73 -0.01 -5.38 1.01 -1.26 -0.92 120.40 112.73 2jtq s VAL 18 Ca 0.06 0.73 -0.30 0.00 0.00 0.00 0.00 61.98 62.47 2jtq s VAL 18 Cb -0.00 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 2jtq s VAL 18 CO -0.07 0.17 1.98 -1.58 0.00 0.00 0.00 175.10 175.60 2jtq s GLN 19 N -1.77 3.98 0.00 2.72 0.74 -0.16 -1.73 119.66 123.44 2jtq s GLN 19 Ca 0.49 2.47 0.00 0.00 0.05 0.00 0.00 55.36 58.37 2jtq s GLN 19 Cb -0.40 -4.18 0.00 0.00 1.10 0.00 0.00 33.01 29.53 2jtq s GLN 19 CO 0.53 -1.13 0.00 0.41 -0.55 0.00 0.00 175.29 174.55 2jtq n GLY 20 N 4.70 0.75 3.76 2.59 0.00 -1.26 -4.94 105.19 110.79 2jtq n GLY 20 Ca 0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.02 2.44 0.45 4.61 0.00 -0.70 -4.88 121.76 120.65 2jtq s ALA 21 Ca 0.00 0.70 -0.08 0.00 0.00 0.00 0.00 51.96 52.58 2jtq s ALA 21 Cb 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.70 2jtq s ALA 21 CO 0.00 -1.30 0.78 0.42 0.00 0.00 0.00 175.76 175.66 2jtq s ILE 22 N -2.11 4.85 -0.14 0.00 -1.09 -0.31 -4.95 121.20 117.45 2jtq s ILE 22 Ca 0.70 0.41 0.02 0.00 -2.23 0.00 0.00 60.65 59.55 2jtq s ILE 22 Cb -0.24 -3.80 0.01 0.00 -1.58 0.00 0.00 42.46 36.86 2jtq s ILE 22 CO 0.39 -0.70 -0.19 0.21 -1.23 0.00 0.00 174.94 173.42 2jtq s ASN 23 N -3.65 2.93 -0.30 3.58 3.84 -1.26 -0.67 114.94 119.41 2jtq s ASN 23 Ca 0.49 -0.56 -0.02 0.00 0.21 0.00 0.00 52.86 52.97 2jtq s ASN 23 Cb -0.10 -1.35 0.11 0.00 -0.55 0.00 0.00 41.25 39.36 2jtq s ASN 23 CO 0.39 0.04 0.19 -0.63 -2.79 0.00 0.00 177.10 174.29 2jtq s ILE 24 N 1.01 -0.13 0.73 -5.21 1.01 -0.47 -4.95 121.20 113.17 2jtq s ILE 24 Ca -0.03 -0.81 -0.16 0.00 0.00 0.00 0.00 60.65 59.65 2jtq s ILE 24 Cb -0.15 -0.98 0.04 0.00 0.01 0.00 0.00 42.46 41.37 2jtq s ILE 24 CO -0.05 -0.69 1.26 -2.16 0.00 0.00 0.00 174.94 173.30 2jtq s PRO 25 N 2.03 2.09 0.29 2.79 0.04 -1.26 -4.05 135.00 136.93 2jtq s PRO 25 Ca 0.10 1.93 0.03 0.00 0.04 0.00 0.00 61.00 63.10 2jtq s PRO 25 Cb -0.16 -1.81 0.72 0.00 0.04 0.00 0.00 34.50 33.29 2jtq s PRO 25 CO -0.31 -1.92 1.67 1.25 0.04 0.00 0.00 177.00 177.74 2jtq h LEU 26 N -0.16 0.18 -0.80 -3.56 5.85 -1.54 0.33 115.31 115.60 2jtq h LEU 26 Ca -0.49 0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.43 2jtq h LEU 26 Cb 1.32 0.19 -0.05 0.00 0.37 0.00 0.00 40.66 42.50 2jtq h LEU 26 CO 0.50 -0.07 0.52 0.50 -0.34 0.00 0.00 178.44 179.54 2jtq h LYS 27 N 0.31 1.00 -0.01 1.25 3.64 -1.89 -2.26 116.57 118.61 2jtq h LYS 27 Ca 0.55 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.68 2jtq h LYS 27 Cb 1.08 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 2jtq h LYS 27 CO -0.58 0.66 -0.83 0.93 -2.27 0.00 0.00 179.45 177.36 2jtq h GLU 28 N 1.03 0.18 -1.00 1.90 5.08 -0.78 -3.35 114.58 117.64 2jtq h GLU 28 Ca 0.31 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2jtq h GLU 28 Cb -0.04 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 2jtq h GLU 28 CO -0.10 0.91 0.66 -0.24 -1.00 0.00 0.00 179.01 179.25 2jtq h VAL 29 N 0.11 1.24 0.00 3.13 3.04 -0.26 0.57 116.25 124.08 2jtq h VAL 29 Ca -0.04 -0.46 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 2jtq h VAL 29 Cb 1.44 -0.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2jtq h VAL 29 CO 0.13 0.24 0.00 1.17 -1.01 0.00 0.00 177.57 178.10 2jtq n LYS 30 N -4.40 0.62 0.00 4.17 4.81 -1.18 -1.64 118.16 120.54 2jtq n LYS 30 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2jtq n LYS 30 Cb 0.03 -1.32 0.00 0.00 0.02 0.00 0.00 35.03 33.76 2jtq n LYS 30 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jtq n GLU 31 N -0.82 2.40 0.00 1.64 -0.58 0.42 -4.93 120.64 118.77 2jtq n GLU 31 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 2jtq n GLU 31 Cb 0.04 -0.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.67 2jtq n GLU 31 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2jtq n ARG 32 N -0.16 3.35 -0.31 3.49 0.63 0.17 -4.73 116.66 119.11 2jtq n ARG 32 Ca 0.00 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.92 2jtq n ARG 32 Cb 0.00 -0.54 0.11 0.00 0.45 0.00 0.00 32.46 32.48 2jtq n ARG 32 CO 0.00 0.00 0.00 0.97 -2.51 0.00 0.00 177.63 176.09 2jtq h ILE 33 N 0.00 1.12 -0.15 5.15 6.09 -1.44 -1.86 117.51 126.42 2jtq h ILE 33 Ca 0.00 -0.36 0.04 0.00 -1.37 0.00 0.00 64.86 63.17 2jtq h ILE 33 Cb 0.00 -0.02 -0.01 0.00 0.47 0.00 0.00 36.82 37.27 2jtq h ILE 33 CO 0.00 0.19 0.15 0.00 -3.07 0.00 0.00 178.15 175.42 2jtq h ALA 34 N 1.36 1.82 0.00 0.18 0.00 -1.81 0.35 119.26 121.16 2jtq h ALA 34 Ca 0.34 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2jtq h ALA 34 Cb 0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jtq h ALA 34 CO -0.12 -0.22 -0.40 1.15 0.00 0.00 0.00 179.25 179.66 2jtq h THR 35 N 0.00 0.88 0.00 0.00 2.02 -1.64 -2.95 112.91 111.22 2jtq h THR 35 Ca 0.07 -1.65 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 2jtq h THR 35 Cb 0.36 2.02 -0.00 0.00 -1.74 0.00 0.00 68.15 68.78 2jtq h THR 35 CO -0.00 0.39 -1.28 0.00 0.37 0.00 0.00 175.52 175.00 2jtq n ALA 36 N -2.28 2.13 -3.10 6.16 0.00 -0.56 -4.83 120.51 118.03 2jtq n ALA 36 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 53.44 53.07 2jtq n ALA 36 Cb 0.55 -0.12 -0.03 0.00 0.00 0.00 0.00 19.45 19.85 2jtq n ALA 36 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jtq n VAL 37 N -1.81 -0.41 0.28 0.00 0.31 0.11 -4.96 118.33 111.86 2jtq n VAL 37 Ca -0.03 -3.66 0.17 0.00 -0.01 0.00 0.00 64.34 60.82 2jtq n VAL 37 Cb 0.26 -0.78 0.70 0.00 -0.91 0.00 0.00 33.84 33.11 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 3.65 0.00 -6.05 5.55 0.13 -1.67 -3.34 132.00 130.26 2jtq h PRO 38 Ca 0.04 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.65 2jtq h PRO 38 Cb 0.94 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.04 2jtq h PRO 38 CO 0.43 0.01 1.33 0.34 -0.23 0.00 0.00 178.00 179.88 2jtq s ASP 39 N -5.70 5.42 0.39 1.44 2.15 -1.26 -4.86 116.67 114.26 2jtq s ASP 39 Ca 0.01 0.56 0.28 0.00 0.43 0.00 0.00 52.55 53.82 2jtq s ASP 39 Cb 0.09 -2.53 1.38 0.00 -0.30 0.00 0.00 42.92 41.56 2jtq s ASP 39 CO 0.54 -2.22 1.84 0.11 -0.17 0.00 0.00 175.17 175.27 2jtq h LYS 40 N 14.45 0.00 -0.57 4.34 1.57 -1.92 -1.62 116.57 132.82 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 1.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.47 2jtq h LYS 40 CO 1.17 0.00 0.00 -1.71 -0.57 0.00 0.00 179.45 178.34 2jtq n ASN 41 N -2.49 3.52 -4.76 0.86 5.15 -1.26 -0.86 115.26 115.42 2jtq n ASN 41 Ca -0.01 -1.99 -0.38 0.00 -0.60 0.00 0.00 54.58 51.60 2jtq n ASN 41 Cb 0.12 -0.38 0.02 0.00 -0.53 0.00 0.00 39.78 39.00 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 -1.18 5.74 -1.24 1.20 2.15 -0.61 -4.67 116.67 118.05 2jtq s ASP 42 Ca 0.43 2.63 -0.20 0.00 0.43 0.00 0.00 52.55 55.84 2jtq s ASP 42 Cb 0.23 -2.63 -0.00 0.00 -0.30 0.00 0.00 42.92 40.22 2jtq s ASP 42 CO 0.31 -1.24 1.84 0.41 -0.17 0.00 0.00 175.17 176.32 2jtq n THR 43 N -0.63 3.02 -2.38 1.71 -1.04 0.09 -4.34 114.28 110.72 2jtq n THR 43 Ca 0.08 -3.12 -0.39 0.00 -2.04 0.00 0.00 64.05 58.58 2jtq n THR 43 Cb 0.45 -2.28 -0.03 0.00 -1.82 0.00 0.00 70.33 66.65 2jtq n THR 43 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2jtq s VAL 44 N 7.13 3.66 0.28 12.58 1.01 -1.23 -1.32 120.40 142.50 2jtq s VAL 44 Ca 0.60 -0.02 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 2jtq s VAL 44 Cb 0.03 -4.63 -0.10 0.00 0.00 0.00 0.00 36.38 31.68 2jtq s VAL 44 CO 0.10 -1.56 1.13 -0.54 0.00 0.00 0.00 175.10 174.23 2jtq s LYS 45 N 5.99 4.59 -0.07 2.72 1.02 -0.14 -1.44 119.74 132.40 2jtq s LYS 45 Ca 0.49 1.86 0.05 0.00 0.02 0.00 0.00 55.97 58.39 2jtq s LYS 45 Cb -0.07 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 2jtq s LYS 45 CO 0.08 0.13 -0.24 0.14 -0.92 0.00 0.00 175.35 174.55 2jtq s VAL 46 N -1.06 2.13 0.13 3.17 -7.23 -0.30 -1.16 120.40 116.08 2jtq s VAL 46 Ca 0.46 -1.02 -0.04 0.00 -1.81 0.00 0.00 61.98 59.56 2jtq s VAL 46 Cb -0.33 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 2jtq s VAL 46 CO 0.42 0.57 0.13 -0.72 -0.31 0.00 0.00 175.10 175.19 2jtq s TYR 47 N -0.00 0.60 0.00 2.82 -0.85 -0.75 -0.82 117.35 118.35 2jtq s TYR 47 Ca -0.08 -1.00 0.00 0.00 -0.52 0.00 0.00 57.07 55.47 2jtq s TYR 47 Cb -0.15 -0.29 0.00 0.00 0.38 0.00 0.00 41.96 41.90 2jtq s TYR 47 CO 0.05 -0.57 0.00 0.00 -1.52 0.00 0.00 175.55 173.52 2jtq h ASN 49 N 0.00 0.22 0.00 0.00 -0.73 -1.92 -1.45 115.58 111.70 2jtq h ASN 49 Ca 0.00 -0.32 0.00 0.00 1.87 0.00 0.00 56.30 57.85 2jtq h ASN 49 Cb 0.00 -0.06 0.00 0.00 0.27 0.00 0.00 38.32 38.53 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 -2.30 0.00 0.00 1.57 0.00 -1.26 -1.63 120.51 116.88 2jtq n ALA 50 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 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 0.00 0.99 0.43 0.00 0.00 -1.19 -3.60 105.19 101.81 2jtq n GLY 51 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.26 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 0.30 0.00 1.61 0.11 -1.96 -1.76 114.38 112.68 2jtq h ARG 52 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2jtq h ARG 52 Cb 0.00 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.01 2jtq h ARG 52 CO 0.00 0.20 -0.76 0.00 0.10 0.00 0.00 179.97 179.51 2jtq n GLN 53 N -4.50 1.53 0.04 0.08 10.64 -1.26 -4.59 117.38 119.32 2jtq n GLN 53 Ca 0.23 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.38 2jtq n GLN 53 Cb 0.88 -0.88 0.25 0.00 -0.86 0.00 0.00 30.24 29.63 2jtq n GLN 53 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2jtq h SER 54 N 0.00 0.42 -0.25 2.61 4.64 -1.82 -0.17 113.55 118.98 2jtq h SER 54 Ca 0.00 -0.13 0.03 0.00 -0.47 0.00 0.00 61.79 61.22 2jtq h SER 54 Cb 0.03 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 2jtq h SER 54 CO 0.00 0.64 0.06 1.23 -0.87 0.00 0.00 176.83 177.89 2jtq h GLY 55 N 0.97 0.29 1.28 -0.77 0.00 -1.58 -1.00 103.07 102.26 2jtq h GLY 55 Ca 0.06 -0.03 -0.11 0.00 0.00 0.00 0.00 47.33 47.25 2jtq h GLY 55 CO 0.04 0.01 -0.18 -1.61 0.00 0.00 0.00 176.54 174.80 2jtq h GLN 56 N 0.16 0.84 -0.62 4.80 5.75 -1.77 -3.13 115.11 121.14 2jtq h GLN 56 Ca 0.11 -0.32 -0.02 0.00 -0.15 0.00 0.00 58.65 58.27 2jtq h GLN 56 Cb 0.10 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 2jtq h GLN 56 CO -0.14 0.95 0.32 0.00 -2.65 0.00 0.00 178.83 177.32 2jtq h ALA 57 N 1.06 1.41 -0.80 3.38 0.00 -0.50 -1.25 119.26 122.55 2jtq h ALA 57 Ca 0.11 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.98 2jtq h ALA 57 Cb 0.70 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2jtq h ALA 57 CO 0.05 0.48 0.47 -0.22 0.00 0.00 0.00 179.25 180.03 2jtq h LYS 58 N 0.86 0.81 0.09 0.00 3.64 -1.14 0.26 116.57 121.10 2jtq h LYS 58 Ca 0.22 -0.05 -0.26 0.00 -1.27 0.00 0.00 60.65 59.29 2jtq h LYS 58 Cb 0.05 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2jtq h LYS 58 CO -0.03 0.54 -1.14 0.93 -2.27 0.00 0.00 179.45 177.48 2jtq h GLU 59 N 0.84 0.31 -0.66 1.90 4.39 -1.46 -0.99 114.58 118.90 2jtq h GLU 59 Ca 0.36 -0.45 -0.06 0.00 0.34 0.00 0.00 59.36 59.56 2jtq h GLU 59 Cb 0.24 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.02 2jtq h GLU 59 CO -0.20 1.17 0.20 0.82 -1.16 0.00 0.00 179.01 179.84 2jtq h ILE 60 N 0.12 1.25 -0.08 3.13 2.04 -0.94 0.55 117.51 123.57 2jtq h ILE 60 Ca -0.11 -0.89 -0.13 0.00 1.00 0.00 0.00 64.86 64.73 2jtq h ILE 60 Cb 1.83 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2jtq h ILE 60 CO 0.19 0.34 -0.52 -0.07 0.00 0.00 0.00 178.15 178.09 2jtq h LEU 61 N 0.97 0.25 -0.97 1.44 3.38 -0.90 -1.09 115.31 118.40 2jtq h LEU 61 Ca 0.21 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2jtq h LEU 61 Cb 0.32 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2jtq h LEU 61 CO -0.00 0.73 0.28 0.28 0.09 0.00 0.00 178.44 179.82 2jtq h SER 62 N 0.18 0.94 -0.14 -0.43 0.02 -0.71 -1.15 113.55 112.26 2jtq h SER 62 Ca 0.00 -0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 2jtq h SER 62 Cb 0.98 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.26 2jtq h SER 62 CO 0.08 0.84 -0.20 -0.08 -1.14 0.00 0.00 176.83 176.33 2jtq h GLU 63 N 1.01 0.56 0.00 3.45 4.81 -0.51 -0.54 114.58 123.36 2jtq h GLU 63 Ca 0.24 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2jtq h GLU 63 Cb 0.19 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.52 2jtq h GLU 63 CO -0.02 0.73 0.00 -1.33 -0.73 0.00 0.00 179.01 177.65 2jtq n MET 64 N -4.15 0.11 -0.79 1.92 2.81 -0.45 -4.88 117.12 111.69 2jtq n MET 64 Ca 0.00 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.12 2jtq n MET 64 Cb 0.38 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 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 -0.35 0.55 3.69 3.03 0.00 -0.21 -5.02 105.19 106.87 2jtq n GLY 65 Ca 0.04 -0.51 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 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 2.82 -0.99 1.61 1.51 -0.49 -4.92 117.35 114.89 2jtq s TYR 66 Ca 0.00 0.77 0.24 0.00 -1.01 0.00 0.00 57.07 57.06 2jtq s TYR 66 Cb 0.00 -3.70 0.24 0.00 -0.11 0.00 0.00 41.96 38.40 2jtq s TYR 66 CO 0.00 -2.60 1.23 0.25 -1.11 0.00 0.00 175.55 173.32 2jtq n THR 67 N 4.65 0.00 -2.13 -0.71 -2.24 -0.04 -4.36 114.28 109.46 2jtq n THR 67 Ca 0.13 -0.01 0.04 0.00 -2.27 0.00 0.00 64.05 61.95 2jtq n THR 67 Cb 0.43 0.51 0.07 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.51 0.00 -1.30 4.78 -0.00 -1.24 -5.00 115.22 110.95 2jtq n HIS 68 Ca 0.05 -0.69 -0.35 0.00 0.46 0.00 0.00 57.72 57.18 2jtq n HIS 68 Cb 0.34 -0.16 0.09 0.00 -0.12 0.00 0.00 29.99 30.13 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 -0.07 2.49 -3.78 3.57 0.24 -1.26 -3.54 118.33 115.98 2jtq n VAL 69 Ca 0.09 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.34 61.90 2jtq n VAL 69 Cb 0.95 -1.03 -0.14 0.00 -1.47 0.00 0.00 33.84 32.15 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 -3.30 0.12 -0.02 7.34 2.12 -0.52 -4.88 118.70 119.55 2jtq s GLU 70 Ca 0.71 0.29 -0.22 0.00 0.36 0.00 0.00 54.97 56.11 2jtq s GLU 70 Cb -0.34 -0.07 -0.05 0.00 0.26 0.00 0.00 34.13 33.94 2jtq s GLU 70 CO 0.52 -0.10 0.67 1.21 -0.54 0.00 0.00 175.26 177.02 2jtq s ASN 71 N 0.70 7.02 -0.12 -1.70 3.84 -1.26 -1.15 114.94 122.27 2jtq s ASN 71 Ca -0.05 1.22 0.17 0.00 0.21 0.00 0.00 52.86 54.41 2jtq s ASN 71 Cb -0.07 -2.40 0.26 0.00 -0.55 0.00 0.00 41.25 38.49 2jtq s ASN 71 CO -0.03 -0.00 1.13 0.00 -2.79 0.00 0.00 177.10 175.41 2jtq n ALA 72 N 3.17 2.25 -0.78 1.71 0.00 -0.01 -4.88 120.51 121.97 2jtq n ALA 72 Ca -0.04 -2.46 0.00 0.00 0.00 0.00 0.00 53.44 50.94 2jtq n ALA 72 Cb 0.51 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.27 2.77 3.80 0.00 0.00 -1.25 -4.72 105.19 104.52 2jtq n GLY 73 Ca 0.14 0.13 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.10 0.56 -0.02 0.00 -1.24 -1.79 107.32 104.73 2jtq s GLY 74 Ca 0.00 -0.01 0.27 0.00 0.00 0.00 0.00 44.72 44.98 2jtq s GLY 74 CO 0.00 1.17 1.99 1.41 0.00 0.00 0.00 173.10 177.67 2jtq h LEU 75 N 2.00 0.00 -0.49 0.66 3.38 -0.29 0.74 115.31 121.31 2jtq h LEU 75 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jtq h LEU 75 Cb 1.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2jtq h LEU 75 CO 0.30 0.00 0.00 0.29 0.09 0.00 0.00 178.44 179.12 2jtq n LYS 76 N -4.06 0.15 0.00 1.13 5.02 -0.90 -3.77 118.16 115.74 2jtq n LYS 76 Ca 0.08 0.36 0.00 0.00 -2.02 0.00 0.00 58.31 56.73 2jtq n LYS 76 Cb 0.57 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2jtq n LYS 76 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jtq n ASP 77 N -2.07 2.10 -4.74 4.39 2.03 0.13 -5.07 116.55 113.32 2jtq n ASP 77 Ca 0.03 -0.11 -0.37 0.00 0.52 0.00 0.00 54.79 54.85 2jtq n ASP 77 Cb 0.23 0.65 0.05 0.00 -0.72 0.00 0.00 41.12 41.34 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 -1.07 2.22 -0.46 5.18 1.01 -0.49 -4.97 121.20 122.62 2jtq s ILE 78 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.88 2jtq s ILE 78 Cb 0.00 -3.06 0.30 0.00 0.01 0.00 0.00 42.46 39.72 2jtq s ILE 78 CO 0.00 -0.03 0.72 0.00 0.00 0.00 0.00 174.94 175.64 2jtq n ALA 79 N -1.69 3.02 -3.05 9.38 0.00 -1.26 -4.99 120.51 121.92 2jtq n ALA 79 Ca 0.14 -3.90 -0.11 0.00 0.00 0.00 0.00 53.44 49.58 2jtq n ALA 79 Cb 0.48 -0.85 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 2jtq n ALA 79 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2jtq s MET 80 N -2.32 0.36 0.74 0.00 0.00 -1.26 -5.16 119.30 111.66 2jtq s MET 80 Ca 0.41 -0.28 -0.16 0.00 0.00 0.00 0.00 55.69 55.66 2jtq s MET 80 Cb 0.25 0.15 -0.04 0.00 0.00 0.00 0.00 34.83 35.20 2jtq s MET 80 CO -0.09 -0.08 0.49 -2.30 0.00 0.00 0.00 175.02 173.04 2jtq n PRO 81 N 1.91 0.24 -4.39 4.11 -0.02 -1.26 -4.87 135.00 130.72 2jtq n PRO 81 Ca -0.20 0.12 -0.21 0.00 -2.02 0.00 0.00 63.50 61.19 2jtq n PRO 81 Cb 0.56 -1.81 -0.09 0.00 -0.02 0.00 0.00 33.50 32.15 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 -2.80 1.69 0.01 -0.52 1.02 -1.26 -0.99 119.74 116.89 2jtq s LYS 82 Ca 0.64 -1.98 -0.01 0.00 0.02 0.00 0.00 55.97 54.64 2jtq s LYS 82 Cb -0.34 -0.26 -0.01 0.00 -0.52 0.00 0.00 37.83 36.70 2jtq s LYS 82 CO 0.59 -0.45 0.01 0.08 -0.92 0.00 0.00 175.35 174.67 2jtq s VAL 83 N -3.48 0.09 0.05 3.17 1.01 -0.10 -4.46 120.40 116.69 2jtq s VAL 83 Ca 0.33 -0.77 -0.16 0.00 0.00 0.00 0.00 61.98 61.38 2jtq s VAL 83 Cb 0.05 -0.27 0.03 0.00 0.00 0.00 0.00 36.38 36.18 2jtq s VAL 83 CO 0.17 -0.42 0.37 -1.59 0.00 0.00 0.00 175.10 173.62 2jtq s LYS 84 N -1.29 0.89 0.00 2.72 -2.85 -1.26 -1.15 119.74 116.80 2jtq s LYS 84 Ca -0.14 -0.46 0.00 0.00 -1.00 0.00 0.00 55.97 54.37 2jtq s LYS 84 Cb -0.09 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.08 2jtq s LYS 84 CO -0.00 -0.30 0.00 0.41 0.10 0.00 0.00 175.35 175.55