#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 -0.70 3.52 0.23 0.00 -1.26 -5.08 105.19 101.90 1sjq n GLY 13 Ca 0.00 0.10 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 1sjq n GLY 13 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sjq s VAL 14 N -2.92 2.83 -0.82 1.61 -7.23 -1.26 -5.02 120.40 107.59 1sjq s VAL 14 Ca 0.01 -1.99 -0.18 0.00 -1.81 0.00 0.00 61.98 58.00 1sjq s VAL 14 Cb -0.00 -2.43 -0.21 0.00 0.56 0.00 0.00 36.38 34.30 1sjq s VAL 14 CO 0.31 -0.23 2.15 -2.65 -0.31 0.00 0.00 175.10 174.37 1sjq n PRO 15 N -0.22 0.26 -3.44 4.82 -0.02 -1.26 -4.79 135.00 130.34 1sjq n PRO 15 Ca -0.09 -0.60 -0.23 0.00 -2.02 0.00 0.00 63.50 60.55 1sjq n PRO 15 Cb 0.57 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.36 1sjq n PRO 15 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1sjq s SER 16 N 5.94 2.36 0.00 2.55 1.04 -1.26 -4.95 113.70 119.37 1sjq s SER 16 Ca 0.95 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1sjq s SER 16 Cb -0.34 0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.85 1sjq s SER 16 CO 0.25 -0.35 0.00 0.54 0.98 0.00 0.00 173.24 174.66 1sjq n ARG 17 N 4.73 0.00 -3.15 4.02 1.74 -1.26 -4.51 116.66 118.23 1sjq n ARG 17 Ca 0.04 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.72 1sjq n ARG 17 Cb 0.43 -0.47 -0.05 0.00 -1.02 0.00 0.00 32.46 31.34 1sjq n ARG 17 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1sjq s VAL 18 N -1.31 4.91 -0.36 1.55 1.01 -1.26 -2.83 120.40 122.11 1sjq s VAL 18 Ca 0.00 1.33 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 1sjq s VAL 18 Cb 0.00 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.50 1sjq s VAL 18 CO 0.00 0.38 0.11 -0.63 0.00 0.00 0.00 175.10 174.95 1sjq s ILE 19 N 0.04 2.91 -0.37 2.22 -1.09 0.88 -2.60 121.20 123.18 1sjq s ILE 19 Ca 0.33 -1.98 -0.29 0.00 -2.23 0.00 0.00 60.65 56.48 1sjq s ILE 19 Cb -0.18 -2.95 0.02 0.00 -1.58 0.00 0.00 42.46 37.76 1sjq s ILE 19 CO 0.18 -0.52 1.15 -2.28 -1.23 0.00 0.00 174.94 172.24 1sjq s HIS 20 N 1.10 2.94 -0.09 3.97 2.46 0.71 -2.78 115.29 123.59 1sjq s HIS 20 Ca 0.06 0.97 -0.27 0.00 0.47 0.00 0.00 55.06 56.29 1sjq s HIS 20 Cb -0.21 -3.98 -0.02 0.00 -0.13 0.00 0.00 32.58 28.23 1sjq s HIS 20 CO -0.05 -1.13 0.88 0.42 -2.47 0.00 0.00 174.74 172.39 1sjq s ILE 21 N 4.10 4.89 0.44 0.89 -1.09 -0.25 0.04 121.20 130.21 1sjq s ILE 21 Ca 0.49 1.79 0.07 0.00 -2.23 0.00 0.00 60.65 60.77 1sjq s ILE 21 Cb -0.11 -4.20 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 1sjq s ILE 21 CO 0.22 0.11 0.34 -0.13 -1.23 0.00 0.00 174.94 174.25 1sjq s ARG 22 N 1.53 2.42 -0.79 2.79 0.52 0.11 -2.71 118.95 122.81 1sjq s ARG 22 Ca 0.44 -1.68 -0.07 0.00 -0.52 0.00 0.00 55.73 53.90 1sjq s ARG 22 Cb -0.18 -2.25 0.06 0.00 0.52 0.00 0.00 34.95 33.10 1sjq s ARG 22 CO 0.19 -0.25 0.22 1.17 0.02 0.00 0.00 175.30 176.66 1sjq n LYS 23 N -1.52 -2.53 -3.94 3.54 3.00 -1.26 -1.31 118.16 114.15 1sjq n LYS 23 Ca 0.02 0.21 -0.34 0.00 -0.00 0.00 0.00 58.31 58.20 1sjq n LYS 23 Cb 0.63 -4.79 -0.14 0.00 0.00 0.00 0.00 35.03 30.73 1sjq n LYS 23 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1sjq s LEU 24 N -5.85 3.74 -0.66 3.14 2.96 -1.26 -3.81 118.68 116.95 1sjq s LEU 24 Ca 0.25 -1.23 -0.07 0.00 -0.22 0.00 0.00 54.13 52.85 1sjq s LEU 24 Cb -0.14 -1.68 -0.07 0.00 0.50 0.00 0.00 46.19 44.80 1sjq s LEU 24 CO 0.31 -0.23 1.82 -0.81 -1.32 0.00 0.00 176.35 176.11 1sjq n PRO 25 N 4.60 1.47 0.00 0.98 -0.04 -1.26 -3.94 135.00 136.81 1sjq n PRO 25 Ca -0.14 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.05 1sjq n PRO 25 Cb 0.44 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 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 4.72 0.00 0.00 0.52 2.08 -1.26 -4.02 119.36 121.40 1sjq n ILE 26 Ca 0.35 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.66 1sjq n ILE 26 Cb 0.15 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.04 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 0.00 0.00 -0.34 4.38 2.03 -1.26 -4.90 116.55 116.45 1sjq n ASP 27 Ca 0.00 0.00 0.05 0.00 0.52 0.00 0.00 54.79 55.36 1sjq n ASP 27 Cb 0.00 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 40.59 1sjq n ASP 27 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1sjq n VAL 28 N 0.00 0.22 0.00 5.18 3.14 -1.26 -4.99 118.33 120.63 1sjq n VAL 28 Ca 0.00 -0.24 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 1sjq n VAL 28 Cb 0.00 0.11 0.00 0.00 -1.06 0.00 0.00 33.84 32.89 1sjq n VAL 28 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1sjq n THR 29 N -0.00 -0.15 0.01 1.55 -2.24 -1.26 -4.56 114.28 107.62 1sjq n THR 29 Ca 0.09 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.68 1sjq n THR 29 Cb 0.18 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 1sjq n THR 29 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1sjq h GLU 30 N 0.00 0.73 -0.36 -0.78 3.07 -2.00 -3.09 114.58 112.15 1sjq h GLU 30 Ca 0.00 -0.71 0.11 0.00 -0.50 0.00 0.00 59.36 58.26 1sjq h GLU 30 Cb 0.00 0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1sjq h GLU 30 CO 0.00 1.29 0.39 0.78 -1.40 0.00 0.00 179.01 180.07 1sjq h GLY 31 N 0.44 0.00 0.00 -3.84 0.00 -1.98 0.30 103.07 97.99 1sjq h GLY 31 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.22 1sjq h GLY 31 CO 0.18 0.00 -0.05 0.83 0.00 0.00 0.00 176.54 177.51 1sjq h GLU 32 N 0.00 0.00 0.11 4.80 3.07 -1.78 -1.46 114.58 119.32 1sjq h GLU 32 Ca 0.17 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.03 1sjq h GLU 32 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1sjq h GLU 32 CO -0.00 0.97 -0.05 0.28 -1.40 0.00 0.00 179.01 178.80 1sjq h VAL 33 N -1.00 0.95 -0.62 3.13 2.07 -1.21 -2.77 116.25 116.80 1sjq h VAL 33 Ca -0.01 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 1sjq h VAL 33 Cb 0.98 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 1sjq h VAL 33 CO -0.01 0.06 0.17 0.40 0.02 0.00 0.00 177.57 178.22 1sjq h ILE 34 N -0.27 1.25 -1.02 4.57 5.03 -0.61 -2.30 117.51 124.16 1sjq h ILE 34 Ca -0.02 -0.88 0.27 0.00 -0.12 0.00 0.00 64.86 64.11 1sjq h ILE 34 Cb 0.22 0.63 -0.07 0.00 -3.03 0.00 0.00 36.82 34.58 1sjq h ILE 34 CO 0.03 0.33 0.69 -1.28 -0.68 0.00 0.00 178.15 177.24 1sjq h SER 35 N 0.91 0.24 0.38 1.72 0.87 -1.11 0.67 113.55 117.23 1sjq h SER 35 Ca 0.20 0.04 -0.21 0.00 -1.23 0.00 0.00 61.79 60.59 1sjq h SER 35 Cb 0.33 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1sjq h SER 35 CO -0.00 0.06 -0.88 -0.07 -0.53 0.00 0.00 176.83 175.41 1sjq h LEU 36 N 0.22 0.45 -1.19 2.23 3.38 -1.14 -3.17 115.31 116.10 1sjq h LEU 36 Ca 0.53 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1sjq h LEU 36 Cb 1.67 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1sjq h LEU 36 CO -0.15 1.14 -0.31 1.23 0.09 0.00 0.00 178.44 180.45 1sjq h GLY 37 N 1.39 0.00 -0.78 0.83 0.00 0.46 -3.30 103.07 101.67 1sjq h GLY 37 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.34 1sjq h GLY 37 CO 0.15 0.00 -0.46 1.04 0.00 0.00 0.00 176.54 177.27 1sjq n LEU 38 N -3.61 -0.83 0.28 3.11 4.32 -0.32 0.20 117.00 120.15 1sjq n LEU 38 Ca -0.01 1.50 0.16 0.00 -0.02 0.00 0.00 56.01 57.64 1sjq n LEU 38 Cb 0.43 -0.24 0.79 0.00 -1.62 0.00 0.00 43.42 42.79 1sjq n LEU 38 CO 0.35 -1.19 1.01 1.55 -1.22 0.00 0.00 177.39 177.89 1sjq h PRO 39 N 0.00 0.00 -0.00 3.23 0.13 -1.78 -1.47 132.00 132.11 1sjq h PRO 39 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1sjq h PRO 39 Cb 0.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.45 1sjq h PRO 39 CO -0.74 0.07 0.00 1.19 -0.23 0.00 0.00 178.00 178.30 1sjq n PHE 40 N -3.36 0.00 0.00 1.56 3.72 0.53 -4.98 117.46 114.93 1sjq n PHE 40 Ca -0.01 -0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1sjq n PHE 40 Cb 0.24 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 1sjq n PHE 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1sjq n GLY 41 N 0.99 1.54 3.26 1.37 0.00 -0.07 -3.84 105.19 108.44 1sjq n GLY 41 Ca 0.23 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 0.58 -0.21 1.61 1.02 -1.26 -4.61 119.74 116.87 1sjq s LYS 42 Ca 0.00 0.14 -0.20 0.00 0.02 0.00 0.00 55.97 55.92 1sjq s LYS 42 Cb 0.00 0.27 -0.02 0.00 -0.52 0.00 0.00 37.83 37.55 1sjq s LYS 42 CO 0.00 -0.13 0.62 0.08 -0.92 0.00 0.00 175.35 175.00 1sjq s VAL 43 N -0.65 5.02 -0.59 3.17 1.01 -1.26 -3.78 120.40 123.32 1sjq s VAL 43 Ca -0.07 1.15 0.22 0.00 0.00 0.00 0.00 61.98 63.27 1sjq s VAL 43 Cb -0.04 -3.93 -0.25 0.00 0.00 0.00 0.00 36.38 32.15 1sjq s VAL 43 CO 0.03 0.09 0.76 0.35 0.00 0.00 0.00 175.10 176.34 1sjq n THR 44 N 4.82 0.02 0.00 3.92 -2.24 -0.56 -4.96 114.28 115.28 1sjq n THR 44 Ca -0.01 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1sjq n THR 44 Cb 0.50 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.84 0.00 -3.37 3.42 2.85 -1.19 -4.93 115.26 110.20 1sjq n ASN 45 Ca 0.01 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.32 1sjq n ASN 45 Cb 0.43 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 41.37 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 -0.27 -0.18 1.20 2.96 -1.25 -0.19 118.68 120.94 1sjq s LEU 46 Ca 0.00 -1.04 -0.15 0.00 -0.22 0.00 0.00 54.13 52.73 1sjq s LEU 46 Cb 0.00 0.65 -0.04 0.00 0.50 0.00 0.00 46.19 47.29 1sjq s LEU 46 CO 0.00 -0.33 0.34 -0.22 -1.32 0.00 0.00 176.35 174.83 1sjq s LEU 47 N 2.00 4.19 -0.06 -0.68 0.20 0.36 -4.88 118.68 119.82 1sjq s LEU 47 Ca 0.13 0.50 -0.14 0.00 0.69 0.00 0.00 54.13 55.31 1sjq s LEU 47 Cb -0.14 -2.44 -0.05 0.00 -0.43 0.00 0.00 46.19 43.13 1sjq s LEU 47 CO -0.20 0.01 0.36 -0.04 -0.29 0.00 0.00 176.35 176.18 1sjq s MET 48 N 0.91 3.96 -0.31 1.98 -1.94 -1.26 0.04 119.30 122.68 1sjq s MET 48 Ca 0.18 0.28 0.02 0.00 -1.71 0.00 0.00 55.69 54.46 1sjq s MET 48 Cb -0.14 -3.28 0.09 0.00 2.01 0.00 0.00 34.83 33.51 1sjq s MET 48 CO 0.06 0.56 0.04 -1.17 -0.01 0.00 0.00 175.02 174.50 1sjq s LEU 49 N -0.59 3.71 0.26 -0.03 2.96 -0.75 -4.96 118.68 119.28 1sjq s LEU 49 Ca 0.21 -1.85 0.17 0.00 -0.22 0.00 0.00 54.13 52.45 1sjq s LEU 49 Cb -0.15 -1.35 0.93 0.00 0.50 0.00 0.00 46.19 46.11 1sjq s LEU 49 CO 0.10 -0.36 1.52 0.29 -1.32 0.00 0.00 176.35 176.57 1sjq n LYS 50 N 4.48 0.11 0.00 1.98 4.01 -1.26 -2.82 118.16 124.66 1sjq n LYS 50 Ca -0.01 0.61 0.00 0.00 -0.51 0.00 0.00 58.31 58.40 1sjq n LYS 50 Cb 0.42 -1.88 0.00 0.00 -0.51 0.00 0.00 35.03 33.06 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 -1.33 0.00 2.50 0.72 0.00 -1.26 -3.22 105.19 102.59 1sjq n GLY 51 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1sjq n GLY 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sjq n LYS 52 N 0.00 2.88 -3.35 1.61 4.76 -1.26 -4.92 118.16 117.88 1sjq n LYS 52 Ca 0.00 -3.57 -0.20 0.00 -2.87 0.00 0.00 58.31 51.67 1sjq n LYS 52 Cb 0.00 -2.28 0.01 0.00 -1.84 0.00 0.00 35.03 30.92 1sjq n LYS 52 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1sjq n ASN 53 N -0.73 -6.34 -3.66 4.39 5.03 -1.20 -4.95 115.26 107.80 1sjq n ASN 53 Ca 0.56 -0.22 -0.13 0.00 0.87 0.00 0.00 54.58 55.66 1sjq n ASN 53 Cb 0.56 -3.24 -0.08 0.00 -1.02 0.00 0.00 39.78 35.99 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 -3.30 0.72 0.38 3.52 -0.21 -1.13 -4.04 119.66 115.61 1sjq s GLN 54 Ca 0.17 0.92 0.08 0.00 0.02 0.00 0.00 55.36 56.54 1sjq s GLN 54 Cb -0.03 0.32 -0.03 0.00 1.00 0.00 0.00 33.01 34.27 1sjq s GLN 54 CO 0.83 -0.10 0.27 0.00 -2.12 0.00 0.00 175.29 174.17 1sjq s ALA 55 N 0.53 3.79 -0.10 6.09 0.00 -1.10 -1.81 121.76 129.17 1sjq s ALA 55 Ca -0.02 -1.88 -0.03 0.00 0.00 0.00 0.00 51.96 50.03 1sjq s ALA 55 Cb -0.05 -0.85 0.04 0.00 0.00 0.00 0.00 23.12 22.27 1sjq s ALA 55 CO -0.02 -0.11 0.07 -0.06 0.00 0.00 0.00 175.76 175.64 1sjq s PHE 56 N -2.46 0.18 0.03 0.00 0.40 0.11 -1.09 117.98 115.14 1sjq s PHE 56 Ca 0.43 -0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.79 1sjq s PHE 56 Cb -0.02 -0.60 -0.02 0.00 0.51 0.00 0.00 43.02 42.89 1sjq s PHE 56 CO 0.25 -0.34 -0.17 -1.50 0.70 0.00 0.00 175.22 174.16 1sjq s ILE 57 N 2.14 1.34 -0.07 0.64 2.07 -1.12 0.13 121.20 126.34 1sjq s ILE 57 Ca 0.04 -0.99 0.05 0.00 -1.41 0.00 0.00 60.65 58.33 1sjq s ILE 57 Cb -0.14 -1.17 -0.00 0.00 0.13 0.00 0.00 42.46 41.27 1sjq s ILE 57 CO -0.06 0.16 -0.23 -1.61 -1.91 0.00 0.00 174.94 171.30 1sjq s GLU 58 N -0.96 2.54 0.23 3.50 2.02 0.73 -0.09 118.70 126.67 1sjq s GLU 58 Ca 0.05 -0.82 -0.07 0.00 0.02 0.00 0.00 54.97 54.15 1sjq s GLU 58 Cb -0.08 -2.06 -0.06 0.00 0.10 0.00 0.00 34.13 32.03 1sjq s GLU 58 CO 0.01 0.27 0.52 -1.64 0.02 0.00 0.00 175.26 174.44 1sjq s MET 59 N 0.10 3.72 0.42 1.61 -1.94 -1.13 -1.50 119.30 120.57 1sjq s MET 59 Ca -0.10 0.13 0.20 0.00 -1.71 0.00 0.00 55.69 54.22 1sjq s MET 59 Cb -0.15 -2.68 0.93 0.00 2.01 0.00 0.00 34.83 34.93 1sjq s MET 59 CO 0.05 0.32 1.86 -0.91 -0.01 0.00 0.00 175.02 176.33 1sjq h ASN 60 N 2.36 0.00 -4.00 3.03 2.35 -1.93 -3.43 115.58 113.95 1sjq h ASN 60 Ca -0.47 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 54.84 1sjq h ASN 60 Cb 1.17 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.25 1sjq h ASN 60 CO 0.69 0.29 -0.80 0.28 -1.65 0.00 0.00 177.43 176.25 1sjq s THR 61 N -3.95 0.90 0.65 2.81 -1.32 -1.26 -5.00 115.64 108.47 1sjq s THR 61 Ca -0.02 -0.46 0.26 0.00 -1.21 0.00 0.00 61.69 60.27 1sjq s THR 61 Cb 0.13 -0.77 0.28 0.00 -1.51 0.00 0.00 72.50 70.62 1sjq s THR 61 CO 0.67 0.26 1.80 -0.33 -2.21 0.00 0.00 174.62 174.81 1sjq h GLU 62 N 6.07 0.00 -0.10 7.08 3.07 -1.84 0.41 114.58 129.28 1sjq h GLU 62 Ca -0.33 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.33 1sjq h GLU 62 Cb 1.17 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 1sjq h GLU 62 CO 0.49 0.00 -0.76 1.49 -1.40 0.00 0.00 179.01 178.83 1sjq h GLU 63 N 0.00 0.53 -0.01 2.33 4.81 -1.94 -2.79 114.58 117.51 1sjq h GLU 63 Ca 0.04 -0.44 -0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1sjq h GLU 63 Cb 0.94 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1sjq h GLU 63 CO -0.00 1.07 -0.00 0.00 -0.73 0.00 0.00 179.01 179.35 1sjq h ALA 64 N 0.81 0.01 0.35 2.92 0.00 -0.28 -3.08 119.26 119.99 1sjq h ALA 64 Ca -0.04 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1sjq h ALA 64 Cb 1.35 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1sjq h ALA 64 CO 0.14 -0.30 -0.37 0.00 0.00 0.00 0.00 179.25 178.72 1sjq h ALA 65 N 0.63 -0.78 -0.12 0.00 0.00 -1.59 -2.64 119.26 114.75 1sjq h ALA 65 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1sjq h ALA 65 Cb 0.38 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1sjq h ALA 65 CO 0.00 -0.98 -0.09 -0.91 0.00 0.00 0.00 179.25 177.27 1sjq h ASN 66 N -0.75 -0.32 -0.95 0.00 2.35 -1.56 -0.30 115.58 114.05 1sjq h ASN 66 Ca -0.02 0.05 0.19 0.00 -0.55 0.00 0.00 56.30 55.97 1sjq h ASN 66 Cb 0.68 0.14 -0.18 0.00 0.05 0.00 0.00 38.32 39.01 1sjq h ASN 66 CO -0.08 -0.04 -0.22 0.74 -1.65 0.00 0.00 177.43 176.17 1sjq h THR 67 N -0.02 0.05 -0.49 2.81 2.02 -1.52 0.37 112.91 116.13 1sjq h THR 67 Ca 0.02 -0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.24 1sjq h THR 67 Cb 0.07 0.05 -0.06 0.00 -1.74 0.00 0.00 68.15 66.47 1sjq h THR 67 CO -0.13 0.00 -0.29 0.80 0.37 0.00 0.00 175.52 176.28 1sjq n MET 68 N -5.60 -0.21 0.03 6.66 0.00 -0.14 0.10 117.12 117.96 1sjq n MET 68 Ca 0.15 1.17 -0.04 0.00 -0.00 0.00 0.00 57.70 58.98 1sjq n MET 68 Cb 0.49 -1.73 -0.03 0.00 0.00 0.00 0.00 33.22 31.95 1sjq n MET 68 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1sjq h VAL 69 N 0.00 0.17 -1.34 1.12 2.07 -1.10 -2.69 116.25 114.49 1sjq h VAL 69 Ca 0.08 -0.97 0.39 0.00 0.82 0.00 0.00 66.70 67.02 1sjq h VAL 69 Cb 0.20 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 1sjq h VAL 69 CO -0.46 0.05 1.20 -1.13 0.02 0.00 0.00 177.57 177.25 1sjq h ASN 70 N -1.03 0.00 0.09 0.57 -0.73 -0.20 0.81 115.58 115.08 1sjq h ASN 70 Ca -0.02 0.00 -0.23 0.00 1.87 0.00 0.00 56.30 57.92 1sjq h ASN 70 Cb 0.22 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 1sjq h ASN 70 CO 0.03 0.00 -1.18 0.22 -0.37 0.00 0.00 177.43 176.13 1sjq h TYR 71 N 0.00 0.33 -0.10 0.67 3.20 0.65 -3.32 116.97 118.40 1sjq h TYR 71 Ca 0.64 -0.24 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1sjq h TYR 71 Cb 3.03 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 41.29 1sjq h TYR 71 CO 0.00 1.46 0.00 0.66 -1.64 0.00 0.00 178.16 178.64 1sjq n TYR 72 N -4.09 0.13 0.24 -3.82 4.01 0.23 -3.69 117.16 110.16 1sjq n TYR 72 Ca -0.23 -0.07 0.11 0.00 -0.16 0.00 0.00 57.90 57.55 1sjq n TYR 72 Cb 0.81 0.00 0.53 0.00 -0.31 0.00 0.00 39.34 40.38 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 0.64 0.49 0.00 -0.72 2.02 -0.06 -3.31 112.91 111.97 1sjq h THR 73 Ca 0.00 -0.95 -0.06 0.00 0.77 0.00 0.00 66.41 66.16 1sjq h THR 73 Cb 0.15 1.66 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1sjq h THR 73 CO 0.00 0.18 -1.24 -0.24 0.37 0.00 0.00 175.52 174.59 1sjq n SER 74 N -3.40 3.95 -4.34 4.18 2.88 -1.24 -5.00 113.62 110.65 1sjq n SER 74 Ca -0.00 -0.01 -0.33 0.00 -1.33 0.00 0.00 58.87 57.19 1sjq n SER 74 Cb 0.38 0.31 -0.14 0.00 -0.75 0.00 0.00 64.21 64.01 1sjq n SER 74 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1sjq s VAL 75 N -2.08 3.09 -0.16 2.46 0.11 -1.24 -5.11 120.40 117.46 1sjq s VAL 75 Ca -0.03 -0.63 -0.12 0.00 -2.93 0.00 0.00 61.98 58.27 1sjq s VAL 75 Cb 0.01 -2.33 -0.05 0.00 -1.53 0.00 0.00 36.38 32.49 1sjq s VAL 75 CO 0.12 0.50 0.23 -0.89 -3.33 0.00 0.00 175.10 171.74 1sjq s THR 76 N 0.69 5.34 -0.27 5.04 2.01 -1.26 -4.12 115.64 123.07 1sjq s THR 76 Ca -0.05 0.42 -0.12 0.00 0.31 0.00 0.00 61.69 62.24 1sjq s THR 76 Cb -0.15 -3.56 -0.05 0.00 0.01 0.00 0.00 72.50 68.75 1sjq s THR 76 CO 0.02 0.43 0.26 -2.16 -0.69 0.00 0.00 174.62 172.48 1sjq s PRO 77 N 0.25 4.00 0.70 4.92 0.04 -1.26 -4.97 135.00 138.67 1sjq s PRO 77 Ca 0.14 -0.17 0.03 0.00 0.04 0.00 0.00 61.00 61.04 1sjq s PRO 77 Cb -0.12 -3.64 0.13 0.00 0.04 0.00 0.00 34.50 30.91 1sjq s PRO 77 CO 0.02 -0.18 0.96 1.33 0.04 0.00 0.00 177.00 179.18 1sjq n VAL 78 N 4.95 0.00 -3.64 -0.36 0.24 -1.26 -2.65 118.33 115.60 1sjq n VAL 78 Ca -0.12 -1.75 -0.23 0.00 -2.04 0.00 0.00 64.34 60.21 1sjq n VAL 78 Cb 0.52 -0.75 -0.18 0.00 -1.47 0.00 0.00 33.84 31.96 1sjq n VAL 78 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1sjq s LEU 79 N 0.00 0.23 -1.20 1.34 2.01 0.12 -4.81 118.68 116.37 1sjq s LEU 79 Ca 0.66 -0.23 0.00 0.00 0.01 0.00 0.00 54.13 54.57 1sjq s LEU 79 Cb -0.04 -0.19 0.00 0.00 0.01 0.00 0.00 46.19 45.97 1sjq s LEU 79 CO 0.43 -0.29 0.00 -1.14 1.01 0.00 0.00 176.35 176.36 1sjq n ARG 80 N 5.29 -1.40 0.00 1.70 0.63 -1.26 0.30 116.66 121.93 1sjq n ARG 80 Ca -0.05 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.55 1sjq n ARG 80 Cb 0.50 -4.94 0.00 0.00 0.45 0.00 0.00 32.46 28.47 1sjq n ARG 80 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1sjq n GLY 81 N -0.30 1.25 2.94 5.14 0.00 -1.26 -5.08 105.19 107.88 1sjq n GLY 81 Ca -0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1sjq n GLY 81 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1sjq s GLN 82 N -0.29 1.39 -0.39 1.61 -1.52 0.15 -5.08 119.66 115.53 1sjq s GLN 82 Ca 0.00 -1.84 -0.27 0.00 -1.95 0.00 0.00 55.36 51.29 1sjq s GLN 82 Cb 0.00 -2.94 -0.04 0.00 -0.22 0.00 0.00 33.01 29.81 1sjq s GLN 82 CO 0.00 -0.99 2.04 -2.14 -0.25 0.00 0.00 175.29 173.95 1sjq s PRO 83 N 0.83 2.89 -0.24 2.91 0.02 -1.26 0.14 135.00 140.29 1sjq s PRO 83 Ca 0.12 1.40 0.02 0.00 0.02 0.00 0.00 61.00 62.56 1sjq s PRO 83 Cb -0.20 -4.36 0.05 0.00 0.02 0.00 0.00 34.50 30.01 1sjq s PRO 83 CO -0.10 -2.39 -0.13 0.96 -0.33 0.00 0.00 177.00 175.02 1sjq s ILE 84 N 8.77 2.16 0.59 2.83 -4.36 -1.09 -4.71 121.20 125.39 1sjq s ILE 84 Ca 0.86 -1.47 -0.15 0.00 -0.26 0.00 0.00 60.65 59.63 1sjq s ILE 84 Cb -0.22 -2.19 -0.04 0.00 1.25 0.00 0.00 42.46 41.26 1sjq s ILE 84 CO 0.30 0.10 1.03 -0.31 0.24 0.00 0.00 174.94 176.31 1sjq s TYR 85 N 1.15 3.22 -0.29 1.37 2.02 -0.42 -4.39 117.35 120.01 1sjq s TYR 85 Ca -0.06 1.46 0.01 0.00 -0.37 0.00 0.00 57.07 58.12 1sjq s TYR 85 Cb -0.18 -2.89 0.08 0.00 -0.40 0.00 0.00 41.96 38.57 1sjq s TYR 85 CO -0.07 -0.86 0.02 0.42 -1.57 0.00 0.00 175.55 173.49 1sjq s ILE 86 N -2.68 1.52 0.49 2.71 1.01 -1.26 -0.72 121.20 122.27 1sjq s ILE 86 Ca 0.60 -1.57 0.05 0.00 0.00 0.00 0.00 60.65 59.73 1sjq s ILE 86 Cb -0.13 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 1sjq s ILE 86 CO 0.40 -0.41 0.22 -1.10 0.00 0.00 0.00 174.94 174.05 1sjq s GLN 87 N 1.33 2.23 0.99 2.79 -1.52 0.11 -4.32 119.66 121.27 1sjq s GLN 87 Ca 0.04 -2.05 -0.17 0.00 -1.95 0.00 0.00 55.36 51.23 1sjq s GLN 87 Cb -0.18 -1.92 0.24 0.00 -0.22 0.00 0.00 33.01 30.93 1sjq s GLN 87 CO -0.12 -0.37 1.01 1.19 -0.25 0.00 0.00 175.29 176.75 1sjq n PHE 88 N -1.44 -3.85 -4.39 0.91 3.72 -1.25 0.26 117.46 111.41 1sjq n PHE 88 Ca -0.06 -0.91 -0.25 0.00 -0.05 0.00 0.00 57.45 56.19 1sjq n PHE 88 Cb 0.65 -0.95 -0.09 0.00 -0.94 0.00 0.00 39.48 38.15 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 -4.42 4.06 -0.42 4.37 0.15 -1.07 -2.37 113.70 114.00 1sjq s SER 89 Ca 0.62 -1.01 0.04 0.00 0.70 0.00 0.00 55.95 56.30 1sjq s SER 89 Cb -0.05 -0.49 0.45 0.00 -1.71 0.00 0.00 66.02 64.22 1sjq s SER 89 CO 0.47 -0.19 1.43 0.59 1.20 0.00 0.00 173.24 176.73 1sjq n ASN 90 N -0.88 5.70 -3.90 5.45 4.13 -1.26 -4.95 115.26 119.55 1sjq n ASN 90 Ca -0.05 -3.76 -0.10 0.00 1.68 0.00 0.00 54.58 52.35 1sjq n ASN 90 Cb 0.62 -0.53 -0.10 0.00 -1.54 0.00 0.00 39.78 38.23 1sjq n ASN 90 CO 0.00 0.00 0.00 -2.28 0.28 0.00 0.00 177.26 175.26 1sjq s HIS 91 N -3.67 0.12 -0.04 3.10 2.46 -1.26 -5.08 115.29 110.92 1sjq s HIS 91 Ca 0.54 -0.32 -0.15 0.00 0.47 0.00 0.00 55.06 55.60 1sjq s HIS 91 Cb 0.44 -0.09 -0.09 0.00 -0.13 0.00 0.00 32.58 32.70 1sjq s HIS 91 CO -0.00 -0.33 0.63 -0.22 -2.47 0.00 0.00 174.74 172.35 1sjq h LYS 92 N 3.97 -0.42 -6.18 2.88 3.11 -2.01 -3.47 116.57 114.45 1sjq h LYS 92 Ca -0.32 0.03 -0.58 0.00 -2.81 0.00 0.00 60.65 56.98 1sjq h LYS 92 Cb 1.19 0.10 -0.11 0.00 -1.00 0.00 0.00 32.23 32.41 1sjq h LYS 92 CO 0.45 -0.21 -0.67 -1.21 -2.81 0.00 0.00 179.45 175.00 1sjq s GLU 93 N -3.20 2.09 0.22 1.90 0.41 -1.26 -4.91 118.70 113.95 1sjq s GLU 93 Ca -0.08 -1.57 -0.31 0.00 -0.41 0.00 0.00 54.97 52.60 1sjq s GLU 93 Cb 0.01 -2.01 -0.11 0.00 -1.78 0.00 0.00 34.13 30.23 1sjq s GLU 93 CO 0.27 0.32 1.58 -1.17 -0.49 0.00 0.00 175.26 175.77 1sjq s LEU 94 N -3.63 4.37 -0.25 1.80 2.96 -1.26 -4.86 118.68 117.80 1sjq s LEU 94 Ca 0.32 2.76 -0.32 0.00 -0.22 0.00 0.00 54.13 56.67 1sjq s LEU 94 Cb -0.05 -3.61 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 1sjq s LEU 94 CO 0.18 -0.85 2.17 0.29 -1.32 0.00 0.00 176.35 176.82 1sjq n LYS 95 N 3.19 1.66 -4.70 1.98 5.02 -1.26 -4.95 118.16 119.11 1sjq n LYS 95 Ca 0.11 0.48 -0.33 0.00 -2.02 0.00 0.00 58.31 56.55 1sjq n LYS 95 Cb 0.38 -2.87 -0.12 0.00 -0.02 0.00 0.00 35.03 32.39 1sjq n LYS 95 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1sjq s THR 96 N 7.41 3.46 -0.14 -0.18 -4.23 -1.26 -5.00 115.64 115.70 1sjq s THR 96 Ca 1.03 -0.56 0.21 0.00 -1.18 0.00 0.00 61.69 61.20 1sjq s THR 96 Cb -0.58 -2.42 -0.16 0.00 1.34 0.00 0.00 72.50 70.69 1sjq s THR 96 CO 0.42 0.58 0.75 -0.67 -0.54 0.00 0.00 174.62 175.16 1sjq n ASP 97 N 2.55 0.49 -2.55 3.99 2.03 -1.26 -4.63 116.55 117.17 1sjq n ASP 97 Ca -0.18 0.20 -0.02 0.00 0.52 0.00 0.00 54.79 55.31 1sjq n ASP 97 Cb 0.53 1.01 0.11 0.00 -0.72 0.00 0.00 41.12 42.05 1sjq n ASP 97 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1sjq n SER 98 N -2.56 -1.34 0.00 1.67 2.88 -1.26 -5.36 113.62 107.65 1sjq n SER 98 Ca -0.05 -2.10 0.00 0.00 -1.33 0.00 0.00 58.87 55.39 1sjq n SER 98 Cb 0.63 0.65 0.00 0.00 -0.75 0.00 0.00 64.21 64.74 1sjq n SER 98 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61