#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 3.63 2.90 5.00 0.00 -1.26 -5.15 105.19 110.31 1sjq n GLY 13 Ca 0.00 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.62 1.17 -0.09 1.61 -7.23 -1.26 -5.11 120.40 108.88 1sjq s VAL 14 Ca 0.00 -0.71 -0.30 0.00 -1.81 0.00 0.00 61.98 59.16 1sjq s VAL 14 Cb 0.00 -1.36 -0.04 0.00 0.56 0.00 0.00 36.38 35.54 1sjq s VAL 14 CO 0.00 0.10 1.47 -2.16 -0.31 0.00 0.00 175.10 174.20 1sjq s PRO 15 N 1.60 4.21 0.09 4.82 0.04 -1.26 -4.35 135.00 140.15 1sjq s PRO 15 Ca -0.00 1.96 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 1sjq s PRO 15 Cb -0.16 -3.84 0.02 0.00 0.04 0.00 0.00 34.50 30.56 1sjq s PRO 15 CO -0.08 -0.75 0.33 -1.12 0.04 0.00 0.00 177.00 175.42 1sjq s SER 16 N 2.61 -0.12 0.00 6.66 0.01 -1.26 -5.04 113.70 116.56 1sjq s SER 16 Ca 0.65 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1sjq s SER 16 Cb -0.29 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1sjq s SER 16 CO 0.23 -0.76 0.00 0.54 0.41 0.00 0.00 173.24 173.66 1sjq n ARG 17 N 0.03 0.00 -2.85 12.44 5.12 -1.26 -4.44 116.66 125.69 1sjq n ARG 17 Ca -0.16 0.00 -0.43 0.00 -1.93 0.00 0.00 57.85 55.33 1sjq n ARG 17 Cb 0.62 -0.51 -0.04 0.00 -1.16 0.00 0.00 32.46 31.38 1sjq n ARG 17 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1sjq s VAL 18 N -1.96 4.37 -0.46 1.55 1.01 -1.26 -2.75 120.40 120.89 1sjq s VAL 18 Ca 0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 61.98 61.13 1sjq s VAL 18 Cb 0.00 -4.72 0.03 0.00 0.00 0.00 0.00 36.38 31.69 1sjq s VAL 18 CO 0.00 -1.49 1.03 -0.63 0.00 0.00 0.00 175.10 174.01 1sjq s ILE 19 N 3.89 4.35 0.54 2.22 -1.09 0.00 -3.85 121.20 127.26 1sjq s ILE 19 Ca 0.25 1.04 -0.14 0.00 -2.23 0.00 0.00 60.65 59.57 1sjq s ILE 19 Cb -0.14 -4.51 -0.06 0.00 -1.58 0.00 0.00 42.46 36.16 1sjq s ILE 19 CO 0.06 -0.89 0.98 -2.28 -1.23 0.00 0.00 174.94 171.58 1sjq s HIS 20 N 4.08 3.52 -0.23 3.97 5.65 0.71 -2.64 115.29 130.34 1sjq s HIS 20 Ca 0.43 1.36 -0.01 0.00 0.25 0.00 0.00 55.06 57.09 1sjq s HIS 20 Cb -0.09 -2.73 0.07 0.00 -1.18 0.00 0.00 32.58 28.65 1sjq s HIS 20 CO 0.28 -0.46 0.02 0.42 -0.65 0.00 0.00 174.74 174.35 1sjq s ILE 21 N -2.80 0.93 0.60 0.89 1.01 -0.95 0.63 121.20 121.51 1sjq s ILE 21 Ca 0.57 -0.96 0.05 0.00 0.00 0.00 0.00 60.65 60.31 1sjq s ILE 21 Cb -0.10 -1.42 0.08 0.00 0.01 0.00 0.00 42.46 41.03 1sjq s ILE 21 CO 0.39 -0.28 0.83 0.00 0.00 0.00 0.00 174.94 175.88 1sjq s ARG 22 N 1.65 2.19 -0.75 2.79 1.70 -0.43 -2.74 118.95 123.37 1sjq s ARG 22 Ca -0.00 -1.30 -0.06 0.00 -0.47 0.00 0.00 55.73 53.90 1sjq s ARG 22 Cb -0.18 -2.54 0.06 0.00 -0.57 0.00 0.00 34.95 31.73 1sjq s ARG 22 CO -0.11 -0.96 0.21 1.17 -1.08 0.00 0.00 175.30 174.53 1sjq n LYS 23 N -2.40 -2.54 -3.95 3.89 4.81 -1.26 -1.54 118.16 115.16 1sjq n LYS 23 Ca 0.13 0.20 -0.32 0.00 -0.87 0.00 0.00 58.31 57.45 1sjq n LYS 23 Cb 0.61 -4.77 -0.14 0.00 0.02 0.00 0.00 35.03 30.74 1sjq n LYS 23 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1sjq s LEU 24 N -5.79 4.90 -0.24 3.14 0.20 -1.25 -3.59 118.68 116.04 1sjq s LEU 24 Ca 0.23 -2.15 -0.21 0.00 0.69 0.00 0.00 54.13 52.70 1sjq s LEU 24 Cb -0.13 -1.69 -0.23 0.00 -0.43 0.00 0.00 46.19 43.71 1sjq s LEU 24 CO 0.29 -0.42 1.59 -0.81 -0.29 0.00 0.00 176.35 176.70 1sjq n PRO 25 N 4.31 0.50 0.00 0.98 -0.04 -1.26 -3.41 135.00 136.09 1sjq n PRO 25 Ca 0.02 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1sjq n PRO 25 Cb 0.42 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 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 6.14 0.00 0.00 0.52 2.08 -1.26 -4.07 119.36 122.77 1sjq n ILE 26 Ca 0.38 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.69 1sjq n ILE 26 Cb 0.31 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.20 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 0.06 4.38 2.03 -1.26 -4.85 116.55 116.92 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 0.25 0.00 -0.72 0.00 0.00 41.12 40.65 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 1.55 0.00 5.18 0.24 -1.26 -4.93 118.33 119.12 1sjq n VAL 28 Ca 0.00 0.56 0.00 0.00 -2.04 0.00 0.00 64.34 62.86 1sjq n VAL 28 Cb 0.00 -1.54 0.00 0.00 -1.47 0.00 0.00 33.84 30.83 1sjq n VAL 28 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1sjq n THR 29 N -1.80 0.00 -0.09 3.34 -2.24 -1.26 -4.56 114.28 107.67 1sjq n THR 29 Ca -0.00 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.64 1sjq n THR 29 Cb 0.03 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.22 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 0.80 -1.35 -0.78 3.07 -1.99 -3.06 114.58 111.26 1sjq h GLU 30 Ca 0.00 -0.45 0.44 0.00 -0.50 0.00 0.00 59.36 58.84 1sjq h GLU 30 Cb 0.00 0.03 -0.12 0.00 -0.84 0.00 0.00 28.75 27.82 1sjq h GLU 30 CO 0.00 1.08 0.88 0.78 -1.40 0.00 0.00 179.01 180.36 1sjq h GLY 31 N 0.56 1.18 0.58 -3.84 0.00 -1.98 0.55 103.07 100.12 1sjq h GLY 31 Ca 0.04 -0.11 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 1sjq h GLY 31 CO 0.09 -0.35 -0.75 -2.09 0.00 0.00 0.00 176.54 173.44 1sjq h GLU 32 N 0.09 0.25 0.77 4.80 4.22 -1.78 -1.60 114.58 121.34 1sjq h GLU 32 Ca 0.81 -0.43 -0.04 0.00 0.08 0.00 0.00 59.36 59.79 1sjq h GLU 32 Cb 2.61 0.16 0.00 0.00 0.50 0.00 0.00 28.75 32.03 1sjq h GLU 32 CO -0.38 1.21 -0.41 0.28 -2.18 0.00 0.00 179.01 177.54 1sjq h VAL 33 N -0.46 0.17 -0.66 0.32 2.07 -0.05 -2.93 116.25 114.72 1sjq h VAL 33 Ca -0.14 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.31 1sjq h VAL 33 Cb 1.56 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1sjq h VAL 33 CO 0.12 0.00 0.14 0.40 0.02 0.00 0.00 177.57 178.25 1sjq h ILE 34 N -1.08 1.26 -0.97 4.57 5.03 -0.53 -2.81 117.51 122.97 1sjq h ILE 34 Ca -0.10 -0.98 0.32 0.00 -0.12 0.00 0.00 64.86 63.98 1sjq h ILE 34 Cb 0.85 0.63 -0.17 0.00 -3.03 0.00 0.00 36.82 35.09 1sjq h ILE 34 CO 0.15 0.37 0.28 0.28 -0.68 0.00 0.00 178.15 178.54 1sjq h SER 35 N 0.99 -0.05 0.04 1.72 0.02 -1.17 1.59 113.55 116.69 1sjq h SER 35 Ca 0.20 0.25 -0.18 0.00 -0.84 0.00 0.00 61.79 61.23 1sjq h SER 35 Cb 0.39 0.35 -0.00 0.00 0.14 0.00 0.00 62.40 63.27 1sjq h SER 35 CO 0.01 -0.33 -0.64 -0.07 -1.14 0.00 0.00 176.83 174.66 1sjq h LEU 36 N 0.07 0.66 -1.32 5.07 4.07 -1.32 -3.00 115.31 119.53 1sjq h LEU 36 Ca 0.68 -0.38 -0.01 0.00 0.08 0.00 0.00 57.88 58.24 1sjq h LEU 36 Cb 1.57 -0.19 -0.00 0.00 1.08 0.00 0.00 40.66 43.12 1sjq h LEU 36 CO -0.80 1.13 -0.07 1.23 -1.08 0.00 0.00 178.44 178.85 1sjq h GLY 37 N 1.02 0.00 -0.44 0.83 0.00 0.21 -3.27 103.07 101.42 1sjq h GLY 37 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.37 1sjq h GLY 37 CO 0.12 0.00 -0.49 1.41 0.00 0.00 0.00 176.54 177.58 1sjq h LEU 38 N 0.00 -1.67 -0.50 3.11 4.07 0.15 0.25 115.31 120.71 1sjq h LEU 38 Ca -0.00 0.23 -0.10 0.00 0.08 0.00 0.00 57.88 58.08 1sjq h LEU 38 Cb 0.60 0.69 -0.02 0.00 1.08 0.00 0.00 40.66 43.01 1sjq h LEU 38 CO 0.01 -0.33 -0.08 1.55 -1.08 0.00 0.00 178.44 178.51 1sjq h PRO 39 N -0.29 0.93 -0.47 1.13 0.13 -1.76 -2.74 132.00 128.93 1sjq h PRO 39 Ca 0.08 -0.34 0.14 0.00 -0.87 0.00 0.00 66.00 65.00 1sjq h PRO 39 Cb 0.49 -0.06 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 1sjq h PRO 39 CO -0.57 1.00 0.38 0.74 -0.23 0.00 0.00 178.00 179.32 1sjq h PHE 40 N 0.79 0.00 0.00 1.56 0.04 -1.38 -3.47 116.94 114.48 1sjq h PHE 40 Ca 0.13 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1sjq h PHE 40 Cb 0.63 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1sjq h PHE 40 CO 0.05 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.17 1sjq n GLY 41 N -1.58 -0.44 3.28 -1.45 0.00 0.78 -3.33 105.19 102.45 1sjq n GLY 41 Ca 0.08 0.12 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 0.51 -0.29 1.61 1.02 -1.25 -4.54 119.74 116.79 1sjq s LYS 42 Ca 0.00 0.39 -0.23 0.00 0.02 0.00 0.00 55.97 56.15 1sjq s LYS 42 Cb 0.00 0.24 -0.00 0.00 -0.52 0.00 0.00 37.83 37.55 1sjq s LYS 42 CO 0.00 -0.09 0.78 0.08 -0.92 0.00 0.00 175.35 175.20 1sjq s VAL 43 N -0.13 4.82 -1.63 3.17 1.01 -1.25 -1.98 120.40 124.40 1sjq s VAL 43 Ca -0.03 1.23 0.25 0.00 0.00 0.00 0.00 61.98 63.43 1sjq s VAL 43 Cb -0.03 -4.12 0.17 0.00 0.00 0.00 0.00 36.38 32.40 1sjq s VAL 43 CO 0.01 -0.20 1.46 0.35 0.00 0.00 0.00 175.10 176.72 1sjq n THR 44 N 5.46 0.00 -3.58 3.92 -2.24 0.71 -4.90 114.28 113.65 1sjq n THR 44 Ca 0.04 -0.12 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1sjq n THR 44 Cb 0.48 0.50 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 1sjq n THR 44 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1sjq s ASN 45 N -2.60 -0.23 -0.22 3.42 3.84 -1.24 -4.85 114.94 113.06 1sjq s ASN 45 Ca 0.21 0.13 -0.04 0.00 0.21 0.00 0.00 52.86 53.36 1sjq s ASN 45 Cb 0.19 0.22 0.11 0.00 -0.55 0.00 0.00 41.25 41.22 1sjq s ASN 45 CO 0.57 -0.30 0.38 -0.22 -2.79 0.00 0.00 177.10 174.74 1sjq s LEU 46 N -1.72 -0.61 -0.10 3.21 1.98 -1.25 -1.66 118.68 118.53 1sjq s LEU 46 Ca 0.05 0.49 -0.02 0.00 -2.89 0.00 0.00 54.13 51.76 1sjq s LEU 46 Cb -0.01 1.15 0.04 0.00 0.66 0.00 0.00 46.19 48.03 1sjq s LEU 46 CO -0.04 -0.27 0.03 -0.22 -1.89 0.00 0.00 176.35 173.95 1sjq s LEU 47 N 2.55 0.61 -0.04 -0.68 0.20 0.83 -5.00 118.68 117.15 1sjq s LEU 47 Ca 0.07 -0.27 -0.12 0.00 0.69 0.00 0.00 54.13 54.50 1sjq s LEU 47 Cb -0.14 -0.40 -0.05 0.00 -0.43 0.00 0.00 46.19 45.16 1sjq s LEU 47 CO -0.14 -0.24 0.32 -0.04 -0.29 0.00 0.00 176.35 175.96 1sjq s MET 48 N 2.00 3.78 -0.45 1.98 -1.94 -1.26 -0.50 119.30 122.90 1sjq s MET 48 Ca 0.03 0.24 0.03 0.00 -1.71 0.00 0.00 55.69 54.28 1sjq s MET 48 Cb -0.14 -3.22 0.13 0.00 2.01 0.00 0.00 34.83 33.61 1sjq s MET 48 CO -0.06 0.70 0.22 -1.17 -0.01 0.00 0.00 175.02 174.71 1sjq s LEU 49 N -1.01 3.42 0.59 -0.03 0.20 -0.70 -4.96 118.68 116.21 1sjq s LEU 49 Ca 0.21 -2.67 0.30 0.00 0.69 0.00 0.00 54.13 52.67 1sjq s LEU 49 Cb -0.15 -1.29 1.24 0.00 -0.43 0.00 0.00 46.19 45.56 1sjq s LEU 49 CO 0.10 -0.27 1.57 0.11 -0.29 0.00 0.00 176.35 177.57 1sjq h LYS 50 N 6.80 0.00 -6.41 1.98 6.56 -1.89 -3.06 116.57 120.56 1sjq h LYS 50 Ca -0.05 0.00 -0.54 0.00 -1.06 0.00 0.00 60.65 59.00 1sjq h LYS 50 Cb 0.93 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.58 1sjq h LYS 50 CO 0.56 0.00 0.63 0.20 -2.06 0.00 0.00 179.45 178.79 1sjq s GLY 51 N -3.67 2.25 0.00 3.86 0.00 -1.26 -2.74 107.32 105.75 1sjq s GLY 51 Ca -0.04 0.77 0.00 0.00 0.00 0.00 0.00 44.72 45.45 1sjq s GLY 51 CO 0.56 2.14 0.00 0.28 0.00 0.00 0.00 173.10 176.08 1sjq n LYS 52 N 4.52 -1.09 -3.21 2.90 4.76 -1.26 -4.01 118.16 120.77 1sjq n LYS 52 Ca 0.10 0.27 -0.18 0.00 -2.87 0.00 0.00 58.31 55.63 1sjq n LYS 52 Cb 0.46 -4.23 0.02 0.00 -1.84 0.00 0.00 35.03 29.44 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 -0.54 -6.52 -3.64 4.39 5.03 -1.11 -4.87 115.26 107.99 1sjq n ASN 53 Ca 0.00 0.31 -0.11 0.00 0.87 0.00 0.00 54.58 55.65 1sjq n ASN 53 Cb 0.27 -2.70 -0.07 0.00 -1.02 0.00 0.00 39.78 36.26 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 -1.97 0.75 0.36 3.52 -0.21 -1.16 -3.76 119.66 117.20 1sjq s GLN 54 Ca 0.21 1.06 0.08 0.00 0.02 0.00 0.00 55.36 56.72 1sjq s GLN 54 Cb -0.03 0.28 -0.03 0.00 1.00 0.00 0.00 33.01 34.22 1sjq s GLN 54 CO 0.60 -0.12 0.24 0.00 -2.12 0.00 0.00 175.29 173.89 1sjq s ALA 55 N 0.90 3.72 -0.07 6.09 0.00 -1.11 -1.71 121.76 129.58 1sjq s ALA 55 Ca -0.04 -1.82 -0.03 0.00 0.00 0.00 0.00 51.96 50.07 1sjq s ALA 55 Cb -0.05 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.23 1sjq s ALA 55 CO -0.08 -0.05 0.06 -0.06 0.00 0.00 0.00 175.76 175.64 1sjq s PHE 56 N -2.42 0.13 0.11 0.00 0.40 0.34 -2.24 117.98 114.31 1sjq s PHE 56 Ca 0.41 0.09 0.07 0.00 -0.60 0.00 0.00 56.93 56.90 1sjq s PHE 56 Cb -0.03 -0.55 -0.04 0.00 0.51 0.00 0.00 43.02 42.91 1sjq s PHE 56 CO 0.25 -0.28 -0.17 0.96 0.70 0.00 0.00 175.22 176.68 1sjq s ILE 57 N 2.15 1.50 0.01 0.64 -4.36 -1.08 -0.12 121.20 119.94 1sjq s ILE 57 Ca 0.04 -1.60 0.09 0.00 -0.26 0.00 0.00 60.65 58.92 1sjq s ILE 57 Cb -0.13 -1.49 -0.02 0.00 1.25 0.00 0.00 42.46 42.06 1sjq s ILE 57 CO -0.05 -0.23 -0.26 -1.61 0.24 0.00 0.00 174.94 173.03 1sjq s GLU 58 N -2.22 1.96 -0.14 0.37 2.02 -0.67 -0.82 118.70 119.21 1sjq s GLU 58 Ca 0.07 -1.01 -0.02 0.00 0.02 0.00 0.00 54.97 54.02 1sjq s GLU 58 Cb -0.08 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.12 1sjq s GLU 58 CO 0.04 0.54 -0.07 -1.64 0.02 0.00 0.00 175.26 174.15 1sjq s MET 59 N -0.91 3.54 0.31 1.61 -1.94 -1.11 0.25 119.30 121.06 1sjq s MET 59 Ca 0.11 -0.57 0.25 0.00 -1.71 0.00 0.00 55.69 53.76 1sjq s MET 59 Cb -0.10 -2.81 1.09 0.00 2.01 0.00 0.00 34.83 35.02 1sjq s MET 59 CO 0.00 0.25 1.75 -0.91 -0.01 0.00 0.00 175.02 176.11 1sjq h ASN 60 N 6.64 0.00 -3.34 3.03 2.35 -1.75 -3.42 115.58 119.09 1sjq h ASN 60 Ca -0.30 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 54.98 1sjq h ASN 60 Cb 1.20 0.00 -0.35 0.00 0.05 0.00 0.00 38.32 39.21 1sjq h ASN 60 CO 0.60 0.00 -0.79 0.28 -1.65 0.00 0.00 177.43 175.87 1sjq s THR 61 N -3.41 0.75 0.33 2.81 -1.32 -1.26 -5.02 115.64 108.52 1sjq s THR 61 Ca 0.03 -0.19 0.11 0.00 -1.21 0.00 0.00 61.69 60.43 1sjq s THR 61 Cb 0.09 -0.78 0.34 0.00 -1.51 0.00 0.00 72.50 70.64 1sjq s THR 61 CO 0.39 0.30 1.63 -0.33 -2.21 0.00 0.00 174.62 174.39 1sjq h GLU 62 N 7.62 0.19 -0.02 7.08 3.07 -1.82 2.12 114.58 132.81 1sjq h GLU 62 Ca -0.31 -0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.55 1sjq h GLU 62 Cb 1.15 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1sjq h GLU 62 CO 0.41 0.12 0.15 1.49 -1.40 0.00 0.00 179.01 179.79 1sjq h GLU 63 N 0.19 0.00 0.06 2.33 4.81 -1.90 0.13 114.58 120.20 1sjq h GLU 63 Ca 0.70 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.74 1sjq h GLU 63 Cb 1.59 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.97 1sjq h GLU 63 CO -0.69 0.00 -0.92 0.00 -0.73 0.00 0.00 179.01 176.67 1sjq h ALA 64 N 1.72 0.11 -0.04 2.92 0.00 0.35 -2.63 119.26 121.69 1sjq h ALA 64 Ca 0.01 -0.91 -0.00 0.00 0.00 0.00 0.00 54.91 54.01 1sjq h ALA 64 Cb 0.31 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1sjq h ALA 64 CO -0.00 0.52 0.01 0.00 0.00 0.00 0.00 179.25 179.78 1sjq h ALA 65 N -0.12 0.05 -0.40 0.00 0.00 -1.04 -0.86 119.26 116.89 1sjq h ALA 65 Ca -0.21 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1sjq h ALA 65 Cb 1.44 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1sjq h ALA 65 CO -0.01 -0.33 0.09 -0.97 0.00 0.00 0.00 179.25 178.03 1sjq h ASN 66 N -0.14 0.62 -0.26 0.00 -1.24 -1.19 -2.63 115.58 110.74 1sjq h ASN 66 Ca 0.01 -0.24 -0.00 0.00 0.71 0.00 0.00 56.30 56.78 1sjq h ASN 66 Cb 0.22 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1sjq h ASN 66 CO -0.00 0.70 0.16 0.74 -1.29 0.00 0.00 177.43 177.74 1sjq h THR 67 N 0.52 1.08 0.59 -3.57 2.02 -1.41 0.44 112.91 112.57 1sjq h THR 67 Ca 0.13 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.10 1sjq h THR 67 Cb 0.33 0.70 -0.00 0.00 -1.74 0.00 0.00 68.15 67.44 1sjq h THR 67 CO 0.00 0.08 -0.34 -0.03 0.37 0.00 0.00 175.52 175.60 1sjq h MET 68 N 0.37 -0.83 0.05 6.66 4.05 -0.77 -1.18 114.93 123.28 1sjq h MET 68 Ca 0.10 0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1sjq h MET 68 Cb -0.01 0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.98 1sjq h MET 68 CO -0.02 -0.56 -0.03 0.28 0.23 0.00 0.00 176.91 176.82 1sjq h VAL 69 N -0.86 1.26 -0.36 -5.77 2.07 -1.45 -2.61 116.25 108.53 1sjq h VAL 69 Ca -0.08 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.34 1sjq h VAL 69 Cb 0.69 2.00 -0.06 0.00 -1.52 0.00 0.00 31.29 32.40 1sjq h VAL 69 CO 0.09 0.28 -0.34 -1.13 0.02 0.00 0.00 177.57 176.49 1sjq h ASN 70 N -0.59 -1.19 -0.76 0.57 -1.24 -0.20 0.37 115.58 112.54 1sjq h ASN 70 Ca -0.01 0.16 0.11 0.00 0.71 0.00 0.00 56.30 57.28 1sjq h ASN 70 Cb 0.51 0.50 -0.05 0.00 0.73 0.00 0.00 38.32 40.01 1sjq h ASN 70 CO 0.01 -0.21 0.50 0.22 -1.29 0.00 0.00 177.43 176.66 1sjq h TYR 71 N -0.17 0.67 -0.12 0.67 3.20 -1.32 0.39 116.97 120.30 1sjq h TYR 71 Ca 0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1sjq h TYR 71 Cb 0.33 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.38 1sjq h TYR 71 CO -0.77 0.29 0.00 0.66 -1.64 0.00 0.00 178.16 176.70 1sjq n TYR 72 N -4.50 0.16 0.25 -3.82 4.01 0.54 -3.86 117.16 109.94 1sjq n TYR 72 Ca 0.13 -0.08 0.11 0.00 -0.16 0.00 0.00 57.90 57.91 1sjq n TYR 72 Cb 0.39 0.00 0.73 0.00 -0.31 0.00 0.00 39.34 40.15 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 0.71 0.82 0.00 -0.72 2.02 0.36 -3.35 112.91 112.75 1sjq h THR 73 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1sjq h THR 73 Cb 0.16 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1sjq h THR 73 CO 0.00 0.00 -0.74 -1.54 0.37 0.00 0.00 175.52 173.61 1sjq n SER 74 N -4.29 1.27 -4.58 4.18 3.41 -1.25 -5.00 113.62 107.36 1sjq n SER 74 Ca -0.02 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.16 1sjq n SER 74 Cb 0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.05 1sjq n SER 74 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1sjq s VAL 75 N -1.89 4.40 0.26 -3.33 1.01 -1.25 -5.03 120.40 114.57 1sjq s VAL 75 Ca 0.00 0.93 -0.13 0.00 0.00 0.00 0.00 61.98 62.78 1sjq s VAL 75 Cb 0.00 -4.48 -0.08 0.00 0.00 0.00 0.00 36.38 31.82 1sjq s VAL 75 CO 0.00 -0.86 0.64 -0.89 0.00 0.00 0.00 175.10 173.99 1sjq s THR 76 N 3.95 4.79 -0.37 3.92 2.01 -1.26 -4.30 115.64 124.37 1sjq s THR 76 Ca 0.40 0.77 -0.17 0.00 0.31 0.00 0.00 61.69 63.00 1sjq s THR 76 Cb -0.09 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.78 1sjq s THR 76 CO 0.27 -0.08 0.46 -2.16 -0.69 0.00 0.00 174.62 172.43 1sjq s PRO 77 N -2.76 3.45 0.24 4.92 0.05 -1.26 -5.02 135.00 134.62 1sjq s PRO 77 Ca 0.49 -0.40 0.05 0.00 0.05 0.00 0.00 61.00 61.19 1sjq s PRO 77 Cb -0.11 -3.86 -0.03 0.00 0.05 0.00 0.00 34.50 30.55 1sjq s PRO 77 CO 0.19 -0.69 0.35 0.08 0.05 0.00 0.00 177.00 176.99 1sjq s VAL 78 N 2.26 5.20 -0.23 -0.36 1.01 -1.26 -1.40 120.40 125.62 1sjq s VAL 78 Ca 0.15 -1.01 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 1sjq s VAL 78 Cb -0.16 -3.83 0.07 0.00 0.00 0.00 0.00 36.38 32.45 1sjq s VAL 78 CO 0.13 -0.33 0.57 -1.48 0.00 0.00 0.00 175.10 174.00 1sjq s LEU 79 N -3.98 -0.44 -0.05 3.92 -0.00 -0.97 -4.88 118.68 112.28 1sjq s LEU 79 Ca 0.34 1.22 -0.01 0.00 -0.00 0.00 0.00 54.13 55.68 1sjq s LEU 79 Cb -0.09 1.96 0.01 0.00 -0.00 0.00 0.00 46.19 48.07 1sjq s LEU 79 CO 0.29 -0.21 0.02 -1.14 -0.00 0.00 0.00 176.35 175.30 1sjq n ARG 80 N 3.70 -2.66 -1.94 1.48 0.63 -1.26 1.00 116.66 117.60 1sjq n ARG 80 Ca -0.18 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 1sjq n ARG 80 Cb 0.57 -3.88 0.00 0.00 0.45 0.00 0.00 32.46 29.59 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 -0.45 0.45 3.01 5.14 0.00 -1.26 -5.07 105.19 107.01 1sjq n GLY 81 Ca 0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.85 0.54 -0.73 1.61 -1.52 0.28 -5.10 119.66 110.88 1sjq s GLN 82 Ca 0.00 0.10 -0.26 0.00 -1.95 0.00 0.00 55.36 53.26 1sjq s GLN 82 Cb 0.00 -0.12 -0.02 0.00 -0.22 0.00 0.00 33.01 32.65 1sjq s GLN 82 CO 0.00 -1.08 1.82 -1.25 -0.25 0.00 0.00 175.29 174.53 1sjq s PRO 83 N 2.42 2.69 -0.41 2.91 0.04 -1.26 -2.30 135.00 139.09 1sjq s PRO 83 Ca 0.11 0.19 -0.18 0.00 0.04 0.00 0.00 61.00 61.17 1sjq s PRO 83 Cb -0.11 -4.62 0.02 0.00 0.04 0.00 0.00 34.50 29.83 1sjq s PRO 83 CO -0.23 -2.86 0.49 0.96 0.04 0.00 0.00 177.00 175.40 1sjq s ILE 84 N 8.94 5.02 0.58 0.56 -4.36 -0.50 -4.74 121.20 126.70 1sjq s ILE 84 Ca 0.64 -0.11 -0.17 0.00 -0.26 0.00 0.00 60.65 60.75 1sjq s ILE 84 Cb -0.10 -4.05 -0.04 0.00 1.25 0.00 0.00 42.46 39.52 1sjq s ILE 84 CO 0.12 -0.41 1.08 -0.31 0.24 0.00 0.00 174.94 175.66 1sjq s TYR 85 N 2.33 2.85 -0.28 1.37 2.02 -0.59 -4.24 117.35 120.81 1sjq s TYR 85 Ca 0.15 1.54 0.01 0.00 -0.37 0.00 0.00 57.07 58.40 1sjq s TYR 85 Cb -0.16 -3.11 0.08 0.00 -0.40 0.00 0.00 41.96 38.37 1sjq s TYR 85 CO 0.15 -1.27 0.02 0.42 -1.57 0.00 0.00 175.55 173.29 1sjq s ILE 86 N -2.20 1.52 0.31 2.71 1.01 -1.26 -1.31 121.20 121.97 1sjq s ILE 86 Ca 0.67 -1.54 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1sjq s ILE 86 Cb -0.19 -1.97 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 1sjq s ILE 86 CO 0.33 -0.39 0.09 -1.10 0.00 0.00 0.00 174.94 173.87 1sjq s GLN 87 N 1.34 1.59 0.45 2.79 -0.21 0.21 -4.24 119.66 121.58 1sjq s GLN 87 Ca 0.03 -1.89 -0.11 0.00 0.02 0.00 0.00 55.36 53.40 1sjq s GLN 87 Cb -0.18 -0.52 -0.06 0.00 1.00 0.00 0.00 33.01 33.24 1sjq s GLN 87 CO -0.12 -0.29 0.84 -0.06 -2.12 0.00 0.00 175.29 173.54 1sjq s PHE 88 N -3.50 3.49 -0.47 0.91 0.40 -1.26 0.26 117.98 117.81 1sjq s PHE 88 Ca 0.35 1.14 0.06 0.00 -0.60 0.00 0.00 56.93 57.88 1sjq s PHE 88 Cb 0.07 -2.53 0.18 0.00 0.51 0.00 0.00 43.02 41.25 1sjq s PHE 88 CO 0.15 -0.23 0.56 0.45 0.70 0.00 0.00 175.22 176.86 1sjq s SER 89 N -3.30 -0.26 -0.74 1.36 0.15 -1.25 -4.69 113.70 104.97 1sjq s SER 89 Ca 0.53 -2.18 -0.02 0.00 0.70 0.00 0.00 55.95 54.99 1sjq s SER 89 Cb -0.10 0.98 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 1sjq s SER 89 CO 0.34 -0.11 0.67 -3.20 1.20 0.00 0.00 173.24 172.14 1sjq n ASN 90 N 3.04 -7.03 -4.51 5.45 2.85 -1.26 -4.63 115.26 109.16 1sjq n ASN 90 Ca 0.22 -0.26 -0.33 0.00 -0.11 0.00 0.00 54.58 54.10 1sjq n ASN 90 Cb 0.52 -4.33 -0.15 0.00 1.24 0.00 0.00 39.78 37.07 1sjq n ASN 90 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1sjq n HIS 91 N -1.87 0.59 -3.74 1.20 -0.00 -1.26 -4.83 115.22 105.32 1sjq n HIS 91 Ca -0.08 0.20 -0.30 0.00 -0.00 0.00 0.00 57.72 57.55 1sjq n HIS 91 Cb 0.55 -1.93 -0.13 0.00 -0.00 0.00 0.00 29.99 28.48 1sjq n HIS 91 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1sjq s LYS 92 N 8.34 1.33 0.14 -1.40 1.02 -1.26 -4.83 119.74 123.08 1sjq s LYS 92 Ca 1.25 -2.03 -0.30 0.00 0.02 0.00 0.00 55.97 54.91 1sjq s LYS 92 Cb -0.88 -2.42 -0.17 0.00 -0.52 0.00 0.00 37.83 33.83 1sjq s LYS 92 CO 0.44 -1.15 0.65 0.39 -0.92 0.00 0.00 175.35 174.76 1sjq n GLU 93 N 3.55 0.00 -2.53 1.68 1.02 -1.26 -4.81 120.64 118.29 1sjq n GLU 93 Ca 0.08 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.79 1sjq n GLU 93 Cb 0.34 -1.10 -0.02 0.00 -0.02 0.00 0.00 31.44 30.64 1sjq n GLU 93 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1sjq s LEU 94 N 2.14 3.69 0.29 -4.62 1.02 -1.26 -5.02 118.68 114.93 1sjq s LEU 94 Ca 0.69 0.72 -0.06 0.00 0.02 0.00 0.00 54.13 55.50 1sjq s LEU 94 Cb -0.99 -3.55 -0.06 0.00 0.02 0.00 0.00 46.19 41.62 1sjq s LEU 94 CO 0.55 -1.22 0.58 -0.54 0.02 0.00 0.00 176.35 175.73 1sjq s LYS 95 N 4.42 3.67 -0.57 1.70 1.02 -1.26 -5.03 119.74 123.69 1sjq s LYS 95 Ca 0.52 0.09 -0.27 0.00 0.02 0.00 0.00 55.97 56.33 1sjq s LYS 95 Cb -0.10 -2.62 0.03 0.00 -0.52 0.00 0.00 37.83 34.62 1sjq s LYS 95 CO 0.29 0.20 1.13 0.95 -0.92 0.00 0.00 175.35 176.99 1sjq s THR 96 N -2.08 4.11 0.29 2.17 -4.23 -1.26 -4.86 115.64 109.78 1sjq s THR 96 Ca 0.45 0.78 0.00 0.00 -1.18 0.00 0.00 61.69 61.74 1sjq s THR 96 Cb -0.11 -4.68 0.00 0.00 1.34 0.00 0.00 72.50 69.06 1sjq s THR 96 CO 0.29 -1.27 0.00 0.47 -0.54 0.00 0.00 174.62 173.57 1sjq n ASP 97 N 8.18 -6.13 0.06 3.99 8.00 -1.26 -4.62 116.55 124.77 1sjq n ASP 97 Ca 0.07 0.57 -0.11 0.00 0.71 0.00 0.00 54.79 56.03 1sjq n ASP 97 Cb 0.49 -3.21 -0.08 0.00 -0.02 0.00 0.00 41.12 38.30 1sjq n ASP 97 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 1sjq h SER 98 N -0.97 -0.20 0.00 -2.24 0.87 -2.06 -3.54 113.55 105.41 1sjq h SER 98 Ca -0.02 -0.33 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 1sjq h SER 98 Cb 0.95 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1sjq h SER 98 CO 0.02 0.34 0.00 -1.20 -0.53 0.00 0.00 176.83 175.46