#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sjq n GLY 13 N 0.00 0.40 2.86 0.23 0.00 -1.26 -4.70 105.19 102.72 1sjq n GLY 13 Ca 0.00 0.69 -0.53 0.00 0.00 0.00 0.00 46.02 46.18 1sjq n GLY 13 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1sjq n VAL 14 N 0.00 0.00 -0.03 1.61 3.14 -1.26 -4.82 118.33 116.96 1sjq n VAL 14 Ca 0.00 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.25 1sjq n VAL 14 Cb 0.00 -0.43 -0.09 0.00 -1.06 0.00 0.00 33.84 32.27 1sjq n VAL 14 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 1sjq h PRO 15 N 7.02 0.19 -3.08 1.45 0.13 -1.90 -3.48 132.00 132.33 1sjq h PRO 15 Ca -0.14 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 1sjq h PRO 15 Cb 1.21 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 1sjq h PRO 15 CO 0.91 0.64 0.12 0.45 -0.23 0.00 0.00 178.00 179.90 1sjq s SER 16 N -5.95 -0.47 0.17 1.44 0.15 -1.26 -5.04 113.70 102.73 1sjq s SER 16 Ca -0.15 -0.06 0.17 0.00 0.70 0.00 0.00 55.95 56.61 1sjq s SER 16 Cb 0.03 0.56 -0.03 0.00 -1.71 0.00 0.00 66.02 64.86 1sjq s SER 16 CO 0.72 -0.91 1.09 0.03 1.20 0.00 0.00 173.24 175.37 1sjq h ARG 17 N 2.18 0.00 -6.44 5.44 3.08 -1.90 -3.38 114.38 113.35 1sjq h ARG 17 Ca -0.34 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.17 1sjq h ARG 17 Cb 1.28 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.30 1sjq h ARG 17 CO 0.41 0.32 0.02 0.08 -1.07 0.00 0.00 179.97 179.72 1sjq s VAL 18 N -3.00 4.70 -0.27 2.04 1.01 -1.26 -1.14 120.40 122.48 1sjq s VAL 18 Ca 0.00 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.10 1sjq s VAL 18 Cb 0.08 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.72 1sjq s VAL 18 CO 0.78 0.25 -0.06 -0.63 0.00 0.00 0.00 175.10 175.45 1sjq s ILE 19 N -1.46 1.92 -0.17 2.22 -1.09 0.06 -3.61 121.20 119.07 1sjq s ILE 19 Ca 0.40 -1.61 -0.29 0.00 -2.23 0.00 0.00 60.65 56.91 1sjq s ILE 19 Cb -0.16 -2.16 -0.00 0.00 -1.58 0.00 0.00 42.46 38.55 1sjq s ILE 19 CO 0.20 -0.18 1.08 -2.28 -1.23 0.00 0.00 174.94 172.54 1sjq s HIS 20 N 1.19 3.29 -0.37 3.97 2.46 0.70 -2.86 115.29 123.66 1sjq s HIS 20 Ca -0.04 1.40 -0.14 0.00 0.47 0.00 0.00 55.06 56.76 1sjq s HIS 20 Cb -0.19 -3.30 0.00 0.00 -0.13 0.00 0.00 32.58 28.96 1sjq s HIS 20 CO -0.07 -0.69 0.26 0.42 -2.47 0.00 0.00 174.74 172.20 1sjq s ILE 21 N 2.85 5.20 0.55 0.89 -1.09 0.81 0.03 121.20 130.44 1sjq s ILE 21 Ca 0.48 -0.46 0.06 0.00 -2.23 0.00 0.00 60.65 58.50 1sjq s ILE 21 Cb -0.18 -3.79 0.06 0.00 -1.58 0.00 0.00 42.46 36.98 1sjq s ILE 21 CO 0.12 -0.16 0.75 -0.60 -1.23 0.00 0.00 174.94 173.83 1sjq s ARG 22 N 1.69 2.41 -1.64 2.79 3.52 -0.54 -2.43 118.95 124.76 1sjq s ARG 22 Ca 0.05 -1.27 -0.12 0.00 -0.13 0.00 0.00 55.73 54.26 1sjq s ARG 22 Cb -0.18 -2.60 0.11 0.00 -1.56 0.00 0.00 34.95 30.72 1sjq s ARG 22 CO 0.10 -0.75 0.55 1.63 -0.81 0.00 0.00 175.30 176.02 1sjq n LYS 23 N -2.24 -2.49 -3.73 5.12 5.02 -1.26 -1.64 118.16 116.95 1sjq n LYS 23 Ca 0.12 0.30 -0.28 0.00 -2.02 0.00 0.00 58.31 56.43 1sjq n LYS 23 Cb 0.60 -4.67 -0.16 0.00 -0.02 0.00 0.00 35.03 30.78 1sjq n LYS 23 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1sjq s LEU 24 N -7.21 1.23 -0.72 -0.35 2.96 -1.17 -3.59 118.68 109.83 1sjq s LEU 24 Ca 0.47 -0.87 -0.26 0.00 -0.22 0.00 0.00 54.13 53.24 1sjq s LEU 24 Cb -0.26 -0.61 -0.23 0.00 0.50 0.00 0.00 46.19 45.59 1sjq s LEU 24 CO 0.95 -0.31 1.88 -0.81 -1.32 0.00 0.00 176.35 176.73 1sjq n PRO 25 N 5.04 0.71 -0.95 0.98 -0.04 -1.26 -3.05 135.00 136.43 1sjq n PRO 25 Ca -0.09 -1.70 -0.39 0.00 -0.04 0.00 0.00 63.50 61.28 1sjq n PRO 25 Cb 0.47 -3.25 -0.06 0.00 -0.04 0.00 0.00 33.50 30.62 1sjq n PRO 25 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1sjq n ILE 26 N 7.52 0.00 0.00 0.52 2.08 -1.26 -3.62 119.36 124.59 1sjq n ILE 26 Ca 0.46 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.77 1sjq n ILE 26 Cb 0.44 -0.30 0.00 0.00 -0.75 0.00 0.00 39.64 39.03 1sjq n ILE 26 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1sjq n ASP 27 N 2.97 0.00 -3.06 4.38 2.03 -1.26 -4.73 116.55 116.88 1sjq n ASP 27 Ca 0.22 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.53 1sjq n ASP 27 Cb -0.03 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1sjq n ASP 27 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1sjq n VAL 28 N 0.00 0.00 -4.49 5.18 0.24 -1.24 -4.99 118.33 113.03 1sjq n VAL 28 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.98 1sjq n VAL 28 Cb 0.00 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 1sjq n VAL 28 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1sjq s THR 29 N 0.00 3.41 0.03 3.34 -4.23 -1.26 -5.04 115.64 111.89 1sjq s THR 29 Ca 0.00 -0.92 -0.25 0.00 -1.18 0.00 0.00 61.69 59.34 1sjq s THR 29 Cb 0.00 -2.49 -0.18 0.00 1.34 0.00 0.00 72.50 71.18 1sjq s THR 29 CO 0.00 0.35 1.46 -0.33 -0.54 0.00 0.00 174.62 175.56 1sjq h GLU 30 N 4.43 -0.06 -1.58 3.99 5.08 -1.99 -2.70 114.58 121.75 1sjq h GLU 30 Ca -0.48 0.00 0.46 0.00 -1.00 0.00 0.00 59.36 58.34 1sjq h GLU 30 Cb 1.16 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.36 1sjq h GLU 30 CO 0.52 0.21 1.30 0.78 -1.00 0.00 0.00 179.01 180.82 1sjq h GLY 31 N -0.33 0.00 0.08 -3.84 0.00 -1.96 0.80 103.07 97.82 1sjq h GLY 31 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1sjq h GLY 31 CO 0.01 0.00 -0.01 0.83 0.00 0.00 0.00 176.54 177.37 1sjq h GLU 32 N 0.00 -0.02 0.44 4.80 5.08 -1.91 -2.48 114.58 120.49 1sjq h GLU 32 Ca 0.75 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.09 1sjq h GLU 32 Cb 3.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.60 1sjq h GLU 32 CO -0.01 0.71 -0.21 0.28 -1.00 0.00 0.00 179.01 178.78 1sjq h VAL 33 N -0.95 0.34 -0.96 3.13 2.07 0.22 -2.98 116.25 117.13 1sjq h VAL 33 Ca -0.00 -0.57 0.14 0.00 0.82 0.00 0.00 66.70 67.09 1sjq h VAL 33 Cb 0.74 0.51 -0.09 0.00 -1.52 0.00 0.00 31.29 30.93 1sjq h VAL 33 CO 0.00 0.07 0.57 0.40 0.02 0.00 0.00 177.57 178.63 1sjq h ILE 34 N -1.01 0.81 -0.78 4.57 2.04 0.09 -0.44 117.51 122.80 1sjq h ILE 34 Ca -0.06 -0.29 0.09 0.00 1.00 0.00 0.00 64.86 65.61 1sjq h ILE 34 Cb 0.56 -0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.47 1sjq h ILE 34 CO 0.10 0.15 0.42 -1.28 0.00 0.00 0.00 178.15 177.54 1sjq h SER 35 N 0.83 0.58 0.84 1.72 0.87 -1.45 1.06 113.55 118.00 1sjq h SER 35 Ca 0.51 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 1sjq h SER 35 Cb 0.64 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1sjq h SER 35 CO -0.32 0.33 0.00 0.18 -0.53 0.00 0.00 176.83 176.49 1sjq n LEU 36 N -4.79 0.20 -0.02 2.23 4.32 -0.23 -3.07 117.00 115.63 1sjq n LEU 36 Ca 0.13 0.53 0.05 0.00 -0.02 0.00 0.00 56.01 56.70 1sjq n LEU 36 Cb 0.28 -0.49 -0.13 0.00 -1.62 0.00 0.00 43.42 41.46 1sjq n LEU 36 CO 0.26 -0.20 -0.77 0.61 -1.22 0.00 0.00 177.39 176.08 1sjq n GLY 37 N 0.71 -0.77 0.26 -0.72 0.00 1.00 -4.54 105.19 101.13 1sjq n GLY 37 Ca 0.05 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.63 1sjq n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sjq h LEU 38 N 0.00 -0.73 -2.58 0.99 3.38 0.10 0.16 115.31 116.63 1sjq h LEU 38 Ca -0.09 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1sjq h LEU 38 Cb 1.02 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 42.14 1sjq h LEU 38 CO 0.00 -0.25 -0.00 -0.65 0.09 0.00 0.00 178.44 177.63 1sjq h PRO 39 N -0.19 0.00 -0.06 1.13 0.11 -1.81 0.51 132.00 131.70 1sjq h PRO 39 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1sjq h PRO 39 Cb 0.44 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.55 1sjq h PRO 39 CO -0.44 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.54 1sjq n PHE 40 N -3.69 0.07 0.00 0.65 3.01 0.54 -4.97 117.46 113.07 1sjq n PHE 40 Ca -0.03 -0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1sjq n PHE 40 Cb 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.55 1sjq n PHE 40 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1sjq n GLY 41 N 0.74 1.18 3.27 1.37 0.00 0.17 -4.02 105.19 107.90 1sjq n GLY 41 Ca 0.08 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.15 1sjq n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sjq s LYS 42 N 0.00 0.60 -0.63 1.61 3.01 -1.26 -4.69 119.74 118.39 1sjq s LYS 42 Ca 0.00 0.12 -0.16 0.00 -1.01 0.00 0.00 55.97 54.92 1sjq s LYS 42 Cb 0.00 0.28 0.16 0.00 -1.01 0.00 0.00 37.83 37.25 1sjq s LYS 42 CO 0.00 -0.14 0.59 0.08 0.51 0.00 0.00 175.35 176.39 1sjq s VAL 43 N -0.72 5.32 -0.59 3.17 1.01 -1.26 -2.36 120.40 124.97 1sjq s VAL 43 Ca -0.08 -1.77 0.05 0.00 0.00 0.00 0.00 61.98 60.17 1sjq s VAL 43 Cb -0.04 -4.38 0.31 0.00 0.00 0.00 0.00 36.38 32.27 1sjq s VAL 43 CO 0.03 -0.93 1.07 0.35 0.00 0.00 0.00 175.10 175.63 1sjq n THR 44 N 4.88 1.26 0.00 3.92 -2.24 -0.73 -4.86 114.28 116.52 1sjq n THR 44 Ca -0.06 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 1sjq n THR 44 Cb 0.42 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1sjq n THR 44 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1sjq n ASN 45 N 0.16 0.00 -3.25 3.42 2.85 -1.21 -4.79 115.26 112.44 1sjq n ASN 45 Ca 0.14 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.56 1sjq n ASN 45 Cb 0.70 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 41.68 1sjq n ASN 45 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1sjq s LEU 46 N 0.00 -1.05 -0.23 1.20 2.96 -1.26 -2.54 118.68 117.75 1sjq s LEU 46 Ca 0.00 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.40 1sjq s LEU 46 Cb 0.00 1.43 -0.03 0.00 0.50 0.00 0.00 46.19 48.09 1sjq s LEU 46 CO 0.00 -0.30 0.07 -0.22 -1.32 0.00 0.00 176.35 174.58 1sjq s LEU 47 N 2.38 3.54 -0.31 -0.68 1.98 0.61 -4.96 118.68 121.24 1sjq s LEU 47 Ca 0.12 -0.14 -0.11 0.00 -2.89 0.00 0.00 54.13 51.11 1sjq s LEU 47 Cb -0.11 -1.94 -0.02 0.00 0.66 0.00 0.00 46.19 44.78 1sjq s LEU 47 CO -0.22 0.01 0.18 -0.04 -1.89 0.00 0.00 176.35 174.39 1sjq s MET 48 N 1.34 3.54 -0.63 1.98 -1.94 -1.26 -0.07 119.30 122.26 1sjq s MET 48 Ca 0.05 -0.59 -0.22 0.00 -1.71 0.00 0.00 55.69 53.22 1sjq s MET 48 Cb -0.15 -3.64 0.07 0.00 2.01 0.00 0.00 34.83 33.12 1sjq s MET 48 CO 0.04 -0.36 0.92 -1.17 -0.01 0.00 0.00 175.02 174.44 1sjq s LEU 49 N 1.68 4.48 -0.08 -0.03 0.20 -0.11 -4.92 118.68 119.90 1sjq s LEU 49 Ca 0.06 -0.95 -0.05 0.00 0.69 0.00 0.00 54.13 53.88 1sjq s LEU 49 Cb -0.17 -2.46 -0.16 0.00 -0.43 0.00 0.00 46.19 42.97 1sjq s LEU 49 CO 0.08 -1.35 3.19 0.29 -0.29 0.00 0.00 176.35 178.28 1sjq n LYS 50 N 7.45 1.91 0.09 1.98 4.01 -1.26 -3.11 118.16 129.23 1sjq n LYS 50 Ca -0.04 -1.08 0.00 0.00 -0.51 0.00 0.00 58.31 56.68 1sjq n LYS 50 Cb 0.45 -1.86 0.00 0.00 -0.51 0.00 0.00 35.03 33.11 1sjq n LYS 50 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1sjq n GLY 51 N 2.02 -0.17 0.88 0.72 0.00 -1.26 -4.87 105.19 102.51 1sjq n GLY 51 Ca 0.37 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.46 1sjq n GLY 51 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1sjq n LYS 52 N -3.45 2.98 -2.93 1.61 4.81 -1.26 -4.99 118.16 114.93 1sjq n LYS 52 Ca 0.00 -2.36 -0.07 0.00 -0.87 0.00 0.00 58.31 55.01 1sjq n LYS 52 Cb 0.00 -1.48 0.03 0.00 0.02 0.00 0.00 35.03 33.60 1sjq n LYS 52 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1sjq n ASN 53 N 0.55 -6.51 -3.74 3.14 5.03 -1.20 -4.90 115.26 107.63 1sjq n ASN 53 Ca 0.17 -0.34 -0.12 0.00 0.87 0.00 0.00 54.58 55.15 1sjq n ASN 53 Cb 0.59 -4.65 -0.12 0.00 -1.02 0.00 0.00 39.78 34.58 1sjq n ASN 53 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1sjq s GLN 54 N -3.61 0.29 0.22 3.52 -0.21 -1.17 -3.03 119.66 115.67 1sjq s GLN 54 Ca 0.20 0.52 0.08 0.00 0.02 0.00 0.00 55.36 56.18 1sjq s GLN 54 Cb -0.03 0.01 -0.04 0.00 1.00 0.00 0.00 33.01 33.96 1sjq s GLN 54 CO 0.64 -0.11 0.06 0.00 -2.12 0.00 0.00 175.29 173.77 1sjq s ALA 55 N 0.82 3.33 -0.10 6.09 0.00 -1.02 -0.94 121.76 129.94 1sjq s ALA 55 Ca -0.05 -1.45 -0.03 0.00 0.00 0.00 0.00 51.96 50.42 1sjq s ALA 55 Cb -0.07 -1.05 0.05 0.00 0.00 0.00 0.00 23.12 22.06 1sjq s ALA 55 CO -0.06 0.36 0.10 -0.06 0.00 0.00 0.00 175.76 176.10 1sjq s PHE 56 N -2.02 0.04 -0.06 0.00 0.40 0.90 -0.13 117.98 117.11 1sjq s PHE 56 Ca 0.30 0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.79 1sjq s PHE 56 Cb -0.08 -0.51 -0.02 0.00 0.51 0.00 0.00 43.02 42.92 1sjq s PHE 56 CO 0.21 -0.34 -0.16 0.96 0.70 0.00 0.00 175.22 176.59 1sjq s ILE 57 N 2.19 2.93 -0.46 0.64 -4.36 -1.14 -0.29 121.20 120.71 1sjq s ILE 57 Ca 0.04 -0.76 -0.11 0.00 -0.26 0.00 0.00 60.65 59.55 1sjq s ILE 57 Cb -0.14 -2.15 0.10 0.00 1.25 0.00 0.00 42.46 41.52 1sjq s ILE 57 CO -0.06 0.58 0.35 -0.70 0.24 0.00 0.00 174.94 175.34 1sjq s GLU 58 N -0.52 2.69 0.15 0.37 2.12 -1.05 -0.76 118.70 121.69 1sjq s GLU 58 Ca 0.07 -1.57 -0.31 0.00 0.36 0.00 0.00 54.97 53.51 1sjq s GLU 58 Cb -0.12 -3.96 -0.10 0.00 0.26 0.00 0.00 34.13 30.21 1sjq s GLU 58 CO 0.01 -1.10 1.66 -1.64 -0.54 0.00 0.00 175.26 173.66 1sjq s MET 59 N 1.47 4.18 0.33 4.30 -1.94 -0.29 -1.77 119.30 125.57 1sjq s MET 59 Ca 0.04 2.45 0.11 0.00 -1.71 0.00 0.00 55.69 56.57 1sjq s MET 59 Cb -0.25 -3.29 0.92 0.00 2.01 0.00 0.00 34.83 34.22 1sjq s MET 59 CO 0.02 -0.70 1.72 -0.91 -0.01 0.00 0.00 175.02 175.14 1sjq h ASN 60 N 7.37 0.65 -2.01 3.03 4.21 -1.80 -3.42 115.58 123.61 1sjq h ASN 60 Ca -0.43 0.14 -0.60 0.00 1.21 0.00 0.00 56.30 56.62 1sjq h ASN 60 Cb 1.20 0.04 -0.12 0.00 -1.12 0.00 0.00 38.32 38.32 1sjq h ASN 60 CO 0.93 0.08 -0.67 0.28 -1.29 0.00 0.00 177.43 176.76 1sjq s THR 61 N -5.75 2.52 0.04 2.81 -1.32 -1.26 -5.04 115.64 107.64 1sjq s THR 61 Ca -0.11 -2.15 -0.19 0.00 -1.21 0.00 0.00 61.69 58.04 1sjq s THR 61 Cb 0.27 -2.64 -0.16 0.00 -1.51 0.00 0.00 72.50 68.47 1sjq s THR 61 CO 0.80 -0.26 1.29 -0.33 -2.21 0.00 0.00 174.62 173.90 1sjq h GLU 62 N 1.99 0.46 -0.51 7.08 3.07 -1.94 -3.01 114.58 121.72 1sjq h GLU 62 Ca -0.42 -0.31 0.14 0.00 -0.50 0.00 0.00 59.36 58.27 1sjq h GLU 62 Cb 1.25 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.18 1sjq h GLU 62 CO 0.66 0.91 0.37 0.93 -1.40 0.00 0.00 179.01 180.48 1sjq h GLU 63 N 0.07 0.05 -0.15 2.33 5.08 -1.95 -0.69 114.58 119.32 1sjq h GLU 63 Ca 0.00 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1sjq h GLU 63 Cb 0.91 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.15 1sjq h GLU 63 CO 0.07 0.03 -0.11 0.00 -1.00 0.00 0.00 179.01 178.00 1sjq h ALA 64 N 1.74 0.22 0.83 3.43 0.00 -1.67 -3.06 119.26 120.76 1sjq h ALA 64 Ca 0.24 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1sjq h ALA 64 Cb 0.90 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.64 1sjq h ALA 64 CO -0.01 0.06 -0.50 0.00 0.00 0.00 0.00 179.25 178.80 1sjq h ALA 65 N 0.64 -1.29 -0.81 0.00 0.00 -1.02 -2.17 119.26 114.59 1sjq h ALA 65 Ca 0.03 -0.26 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1sjq h ALA 65 Cb 0.62 0.61 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 1sjq h ALA 65 CO 0.03 -1.24 -0.52 -2.95 0.00 0.00 0.00 179.25 174.57 1sjq h ASN 66 N -1.24 -1.86 -0.36 0.00 7.08 -1.48 -0.14 115.58 117.58 1sjq h ASN 66 Ca -0.11 0.30 0.08 0.00 -3.08 0.00 0.00 56.30 53.48 1sjq h ASN 66 Cb 0.99 0.84 -0.08 0.00 -2.08 0.00 0.00 38.32 37.99 1sjq h ASN 66 CO 0.12 -0.29 -0.19 0.74 -2.08 0.00 0.00 177.43 175.73 1sjq h THR 67 N -0.11 0.44 -0.80 6.14 2.02 -1.48 0.44 112.91 119.56 1sjq h THR 67 Ca 0.18 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.43 1sjq h THR 67 Cb 0.51 0.44 -0.10 0.00 -1.74 0.00 0.00 68.15 67.26 1sjq h THR 67 CO -0.84 0.00 -0.47 0.80 0.37 0.00 0.00 175.52 175.38 1sjq n MET 68 N -5.36 -0.35 0.12 6.66 1.56 -0.08 0.34 117.12 120.01 1sjq n MET 68 Ca 0.01 1.22 0.00 0.00 -0.27 0.00 0.00 57.70 58.67 1sjq n MET 68 Cb 0.28 -1.80 0.01 0.00 2.15 0.00 0.00 33.22 33.86 1sjq n MET 68 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1sjq h VAL 69 N 0.00 1.09 0.52 1.12 2.07 -1.34 -2.93 116.25 116.79 1sjq h VAL 69 Ca 0.13 -2.49 -0.02 0.00 0.82 0.00 0.00 66.70 65.14 1sjq h VAL 69 Cb 0.33 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1sjq h VAL 69 CO -0.75 0.61 -0.29 -1.13 0.02 0.00 0.00 177.57 176.03 1sjq h ASN 70 N 0.00 -0.72 -0.36 0.57 -0.73 0.46 0.22 115.58 115.02 1sjq h ASN 70 Ca -0.01 0.03 -0.06 0.00 1.87 0.00 0.00 56.30 58.14 1sjq h ASN 70 Cb 1.45 0.20 -0.02 0.00 0.27 0.00 0.00 38.32 40.22 1sjq h ASN 70 CO 0.08 -0.47 0.02 0.22 -0.37 0.00 0.00 177.43 176.92 1sjq h TYR 71 N -0.75 0.75 -0.23 0.67 3.20 -0.95 -2.00 116.97 117.66 1sjq h TYR 71 Ca -0.07 -0.09 -0.00 0.00 3.14 0.00 0.00 58.73 61.71 1sjq h TYR 71 Cb 0.59 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1sjq h TYR 71 CO 0.02 0.70 0.00 0.66 -1.64 0.00 0.00 178.16 177.90 1sjq n TYR 72 N -4.24 0.84 -0.08 -3.82 4.01 -1.11 -3.87 117.16 108.89 1sjq n TYR 72 Ca 0.02 -0.29 -0.12 0.00 -0.16 0.00 0.00 57.90 57.35 1sjq n TYR 72 Cb 0.27 -0.27 -0.05 0.00 -0.31 0.00 0.00 39.34 38.99 1sjq n TYR 72 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1sjq h THR 73 N 1.59 1.31 0.00 -0.72 2.02 0.23 -3.39 112.91 113.94 1sjq h THR 73 Ca 0.00 -1.25 -0.12 0.00 0.77 0.00 0.00 66.41 65.81 1sjq h THR 73 Cb 1.10 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 69.07 1sjq h THR 73 CO 0.20 0.39 -1.47 -0.24 0.37 0.00 0.00 175.52 174.77 1sjq n SER 74 N -4.45 3.36 -4.59 4.18 2.88 -1.26 -4.94 113.62 108.79 1sjq n SER 74 Ca -0.04 -0.04 -0.43 0.00 -1.33 0.00 0.00 58.87 57.03 1sjq n SER 74 Cb 0.37 -0.12 -0.02 0.00 -0.75 0.00 0.00 64.21 63.69 1sjq n SER 74 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1sjq s VAL 75 N -2.17 4.18 -0.24 2.46 1.01 -1.25 -5.01 120.40 119.39 1sjq s VAL 75 Ca -0.11 1.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 1sjq s VAL 75 Cb 0.03 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 1sjq s VAL 75 CO 0.19 -1.09 0.44 -0.89 0.00 0.00 0.00 175.10 173.75 1sjq s THR 76 N 4.53 5.14 -0.27 3.92 2.01 -1.26 -4.37 115.64 125.34 1sjq s THR 76 Ca 0.45 0.75 -0.14 0.00 0.31 0.00 0.00 61.69 63.07 1sjq s THR 76 Cb -0.07 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 1sjq s THR 76 CO 0.30 0.17 0.33 -2.16 -0.69 0.00 0.00 174.62 172.56 1sjq s PRO 77 N 1.83 4.00 0.78 4.92 0.04 -1.26 -4.94 135.00 140.37 1sjq s PRO 77 Ca 0.19 -0.05 -0.04 0.00 0.04 0.00 0.00 61.00 61.14 1sjq s PRO 77 Cb -0.15 -3.65 0.16 0.00 0.04 0.00 0.00 34.50 30.90 1sjq s PRO 77 CO 0.09 -0.24 1.07 1.33 0.04 0.00 0.00 177.00 179.29 1sjq n VAL 78 N 5.08 0.00 -3.79 -0.36 0.24 -1.26 -3.48 118.33 114.76 1sjq n VAL 78 Ca -0.10 -1.41 -0.14 0.00 -2.04 0.00 0.00 64.34 60.65 1sjq n VAL 78 Cb 0.51 -1.05 -0.15 0.00 -1.47 0.00 0.00 33.84 31.68 1sjq n VAL 78 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 1sjq s LEU 79 N 0.00 1.20 -0.13 1.34 -0.00 -0.70 -4.83 118.68 115.56 1sjq s LEU 79 Ca 0.68 0.15 -0.02 0.00 -0.00 0.00 0.00 54.13 54.94 1sjq s LEU 79 Cb -0.03 0.17 0.02 0.00 -0.00 0.00 0.00 46.19 46.34 1sjq s LEU 79 CO 0.46 -0.10 0.04 0.54 -0.00 0.00 0.00 176.35 177.29 1sjq n ARG 80 N 3.79 -2.46 -1.37 1.48 5.12 -1.26 0.50 116.66 122.45 1sjq n ARG 80 Ca -0.22 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.71 1sjq n ARG 80 Cb 0.54 -3.67 0.00 0.00 -1.16 0.00 0.00 32.46 28.17 1sjq n ARG 80 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1sjq n GLY 81 N -0.45 0.55 3.01 -0.13 0.00 -1.26 -5.09 105.19 101.82 1sjq n GLY 81 Ca 0.01 -0.36 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 1sjq n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1sjq s GLN 82 N -2.63 0.53 -0.38 1.61 0.74 0.18 -5.11 119.66 114.60 1sjq s GLN 82 Ca 0.00 0.11 -0.31 0.00 0.05 0.00 0.00 55.36 55.21 1sjq s GLN 82 Cb 0.00 -0.12 -0.09 0.00 1.10 0.00 0.00 33.01 33.90 1sjq s GLN 82 CO 0.00 -1.08 2.28 -2.30 -0.55 0.00 0.00 175.29 173.65 1sjq n PRO 83 N 5.14 1.27 -3.96 1.67 -0.02 -1.26 -1.73 135.00 136.11 1sjq n PRO 83 Ca 0.04 0.28 -0.34 0.00 -2.02 0.00 0.00 63.50 61.47 1sjq n PRO 83 Cb 0.51 -2.84 -0.14 0.00 -0.02 0.00 0.00 33.50 31.02 1sjq n PRO 83 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1sjq s ILE 84 N 8.77 2.68 0.51 4.25 -4.36 -1.23 -4.60 121.20 127.22 1sjq s ILE 84 Ca 1.06 -1.65 -0.21 0.00 -0.26 0.00 0.00 60.65 59.60 1sjq s ILE 84 Cb -0.59 -2.63 -0.07 0.00 1.25 0.00 0.00 42.46 40.42 1sjq s ILE 84 CO 0.40 -0.20 1.11 -0.31 0.24 0.00 0.00 174.94 176.18 1sjq s TYR 85 N 1.15 2.82 -0.29 1.37 1.51 -0.65 -4.36 117.35 118.90 1sjq s TYR 85 Ca -0.03 1.56 0.02 0.00 -1.01 0.00 0.00 57.07 57.60 1sjq s TYR 85 Cb -0.20 -3.25 0.08 0.00 -0.11 0.00 0.00 41.96 38.49 1sjq s TYR 85 CO -0.03 -1.33 0.02 0.42 -1.11 0.00 0.00 175.55 173.51 1sjq s ILE 86 N -1.77 1.70 0.38 2.71 1.01 -1.26 -1.46 121.20 122.50 1sjq s ILE 86 Ca 0.69 -1.72 0.04 0.00 0.00 0.00 0.00 60.65 59.66 1sjq s ILE 86 Cb -0.23 -2.13 -0.06 0.00 0.01 0.00 0.00 42.46 40.05 1sjq s ILE 86 CO 0.27 -0.42 0.05 -1.10 0.00 0.00 0.00 174.94 173.73 1sjq s GLN 87 N 1.24 1.84 0.62 2.79 -0.21 0.10 -4.50 119.66 121.55 1sjq s GLN 87 Ca 0.04 -2.06 -0.10 0.00 0.02 0.00 0.00 55.36 53.25 1sjq s GLN 87 Cb -0.19 -1.12 0.16 0.00 1.00 0.00 0.00 33.01 32.86 1sjq s GLN 87 CO -0.11 -0.21 0.53 1.19 -2.12 0.00 0.00 175.29 174.57 1sjq n PHE 88 N -0.86 -3.39 -4.34 0.91 3.72 -1.26 0.25 117.46 112.49 1sjq n PHE 88 Ca -0.05 -0.48 -0.17 0.00 -0.05 0.00 0.00 57.45 56.69 1sjq n PHE 88 Cb 0.67 -0.57 -0.10 0.00 -0.94 0.00 0.00 39.48 38.53 1sjq n PHE 88 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1sjq s SER 89 N -2.93 1.41 -0.47 4.37 0.15 -1.24 -2.77 113.70 112.21 1sjq s SER 89 Ca 0.35 -1.40 0.04 0.00 0.70 0.00 0.00 55.95 55.64 1sjq s SER 89 Cb -0.04 0.15 0.43 0.00 -1.71 0.00 0.00 66.02 64.85 1sjq s SER 89 CO 0.27 -0.73 1.45 0.59 1.20 0.00 0.00 173.24 176.03 1sjq n ASN 90 N -0.54 5.79 -4.20 5.45 3.02 -1.26 -4.97 115.26 118.55 1sjq n ASN 90 Ca -0.00 -3.76 -0.26 0.00 -0.03 0.00 0.00 54.58 50.53 1sjq n ASN 90 Cb 0.66 -0.59 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 1sjq n ASN 90 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1sjq n HIS 91 N -0.68 0.68 0.00 3.10 8.25 -1.26 -5.13 115.22 120.19 1sjq n HIS 91 Ca 0.48 -2.02 0.00 0.00 -0.26 0.00 0.00 57.72 55.92 1sjq n HIS 91 Cb 0.74 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1sjq n HIS 91 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 1sjq n LYS 92 N -1.11 0.00 -3.80 -0.41 2.85 -1.26 -5.00 118.16 109.42 1sjq n LYS 92 Ca -0.15 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 56.99 1sjq n LYS 92 Cb 0.52 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 34.77 1sjq n LYS 92 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 1sjq s GLU 93 N 0.00 0.12 0.17 -1.58 2.12 -1.26 -4.85 118.70 113.42 1sjq s GLU 93 Ca 0.00 0.23 -0.30 0.00 0.36 0.00 0.00 54.97 55.26 1sjq s GLU 93 Cb 0.00 -0.01 -0.08 0.00 0.26 0.00 0.00 34.13 34.30 1sjq s GLU 93 CO 0.00 -0.06 1.11 -0.51 -0.54 0.00 0.00 175.26 175.26 1sjq s LEU 94 N 0.41 4.48 -0.20 2.70 1.02 -1.26 -5.03 118.68 120.80 1sjq s LEU 94 Ca -0.03 2.10 -0.05 0.00 0.02 0.00 0.00 54.13 56.17 1sjq s LEU 94 Cb -0.04 -3.60 -0.03 0.00 0.02 0.00 0.00 46.19 42.54 1sjq s LEU 94 CO -0.02 -0.25 0.01 -0.54 0.02 0.00 0.00 176.35 175.58 1sjq s LYS 95 N -0.30 3.65 -0.15 1.70 1.02 -1.26 -5.09 119.74 119.32 1sjq s LYS 95 Ca 0.50 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.99 1sjq s LYS 95 Cb -0.30 -3.10 0.02 0.00 -0.52 0.00 0.00 37.83 33.94 1sjq s LYS 95 CO 0.35 0.04 -0.14 0.95 -0.92 0.00 0.00 175.35 175.62 1sjq s THR 96 N 0.94 1.57 0.00 2.17 -4.23 -1.26 -5.08 115.64 109.76 1sjq s THR 96 Ca 0.02 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.89 1sjq s THR 96 Cb -0.14 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.22 1sjq s THR 96 CO 0.02 0.46 0.00 -0.90 -0.54 0.00 0.00 174.62 173.66 1sjq n ASP 97 N 4.77 -0.92 -3.62 3.99 5.75 -1.26 -4.76 116.55 120.49 1sjq n ASP 97 Ca -0.17 0.01 -0.25 0.00 -0.01 0.00 0.00 54.79 54.37 1sjq n ASP 97 Cb 0.50 -0.06 -0.17 0.00 -1.03 0.00 0.00 41.12 40.36 1sjq n ASP 97 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1sjq s SER 98 N -3.89 2.18 0.00 -1.12 1.04 -1.26 -5.27 113.70 105.38 1sjq s SER 98 Ca 0.00 -0.52 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1sjq s SER 98 Cb 0.00 -0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.88 1sjq s SER 98 CO 0.00 -0.33 0.00 -0.24 0.98 0.00 0.00 173.24 173.65