#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 -3.36 0.40 0.23 0.00 -1.26 -5.02 105.19 96.17 1sjq n GLY 13 Ca 0.00 0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.13 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 0.29 1.31 -1.31 1.61 3.14 -1.26 -5.09 118.33 117.02 1sjq n VAL 14 Ca -0.04 -1.77 -0.32 0.00 -2.96 0.00 0.00 64.34 59.25 1sjq n VAL 14 Cb 0.07 0.05 0.10 0.00 -1.06 0.00 0.00 33.84 33.00 1sjq n VAL 14 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 1sjq s PRO 15 N -1.97 2.10 -0.26 1.45 0.04 -1.26 -4.87 135.00 130.22 1sjq s PRO 15 Ca 0.25 1.46 -0.28 0.00 0.04 0.00 0.00 61.00 62.48 1sjq s PRO 15 Cb 0.24 -1.86 0.17 0.00 0.04 0.00 0.00 34.50 33.09 1sjq s PRO 15 CO -0.01 -1.81 1.26 0.45 0.04 0.00 0.00 177.00 176.93 1sjq s SER 16 N -2.67 -0.16 -0.10 6.66 0.15 -1.26 -5.05 113.70 111.27 1sjq s SER 16 Ca 0.67 0.22 -0.04 0.00 0.70 0.00 0.00 55.95 57.50 1sjq s SER 16 Cb -0.22 0.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.23 1sjq s SER 16 CO 0.50 -0.11 -0.12 0.54 1.20 0.00 0.00 173.24 175.24 1sjq n ARG 17 N 0.97 0.21 -3.09 5.44 1.74 -1.26 -4.39 116.66 116.28 1sjq n ARG 17 Ca -0.06 0.09 -0.40 0.00 -0.77 0.00 0.00 57.85 56.71 1sjq n ARG 17 Cb 0.58 -0.88 -0.05 0.00 -1.02 0.00 0.00 32.46 31.08 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 -2.18 5.04 -0.36 1.55 1.01 -1.26 -3.03 120.40 121.16 1sjq s VAL 18 Ca -0.14 1.30 -0.12 0.00 0.00 0.00 0.00 61.98 63.02 1sjq s VAL 18 Cb 0.05 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1sjq s VAL 18 CO 0.18 0.18 0.23 -0.63 0.00 0.00 0.00 175.10 175.06 1sjq s ILE 19 N 1.37 4.98 -0.39 2.22 -1.09 0.17 -1.14 121.20 127.32 1sjq s ILE 19 Ca 0.33 -0.52 -0.23 0.00 -2.23 0.00 0.00 60.65 57.99 1sjq s ILE 19 Cb -0.16 -3.66 0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1sjq s ILE 19 CO 0.13 -0.13 0.80 -2.28 -1.23 0.00 0.00 174.94 172.23 1sjq s HIS 20 N 1.65 3.06 -0.07 3.97 5.65 0.47 -2.14 115.29 127.89 1sjq s HIS 20 Ca 0.05 0.44 -0.27 0.00 0.25 0.00 0.00 55.06 55.52 1sjq s HIS 20 Cb -0.18 -3.52 -0.03 0.00 -1.18 0.00 0.00 32.58 27.68 1sjq s HIS 20 CO 0.09 -0.83 0.87 0.42 -0.65 0.00 0.00 174.74 174.64 1sjq s ILE 21 N 3.20 4.91 0.14 0.89 1.01 0.86 0.40 121.20 132.60 1sjq s ILE 21 Ca 0.31 1.79 0.08 0.00 0.00 0.00 0.00 60.65 62.84 1sjq s ILE 21 Cb -0.13 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.10 1sjq s ILE 21 CO 0.19 0.13 -0.11 -0.60 0.00 0.00 0.00 174.94 174.55 1sjq s ARG 22 N 1.36 2.05 -1.24 2.79 3.52 0.19 -2.61 118.95 125.01 1sjq s ARG 22 Ca 0.44 -1.15 -0.03 0.00 -0.13 0.00 0.00 55.73 54.86 1sjq s ARG 22 Cb -0.19 -2.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.99 1sjq s ARG 22 CO 0.20 0.47 0.45 1.17 -0.81 0.00 0.00 175.30 176.79 1sjq n LYS 23 N 0.44 -3.71 -5.12 5.12 3.00 -1.26 0.28 118.16 116.91 1sjq n LYS 23 Ca -0.13 0.72 -0.32 0.00 -0.00 0.00 0.00 58.31 58.59 1sjq n LYS 23 Cb 0.54 -5.18 -0.17 0.00 0.00 0.00 0.00 35.03 30.22 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 -5.31 2.11 -1.22 3.14 2.96 -1.23 -3.81 118.68 115.32 1sjq s LEU 24 Ca 0.22 -0.56 -0.17 0.00 -0.22 0.00 0.00 54.13 53.41 1sjq s LEU 24 Cb -0.10 -1.42 -0.03 0.00 0.50 0.00 0.00 46.19 45.14 1sjq s LEU 24 CO 0.28 0.15 2.14 -0.81 -1.32 0.00 0.00 176.35 176.79 1sjq n PRO 25 N 3.60 2.40 -0.68 0.98 -0.04 -1.26 -4.10 135.00 135.90 1sjq n PRO 25 Ca -0.19 -2.32 -0.31 0.00 -0.04 0.00 0.00 63.50 60.64 1sjq n PRO 25 Cb 0.53 -3.14 -0.07 0.00 -0.04 0.00 0.00 33.50 30.78 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 5.36 0.00 0.00 0.52 2.08 -1.26 -2.87 119.36 123.20 1sjq n ILE 26 Ca 0.52 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.83 1sjq n ILE 26 Cb 0.39 -0.27 0.00 0.00 -0.75 0.00 0.00 39.64 39.01 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 4.16 0.00 -3.34 4.38 -0.08 -1.26 -4.69 116.55 115.71 1sjq n ASP 27 Ca 0.30 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 1sjq n ASP 27 Cb -0.02 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.44 1sjq n ASP 27 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1sjq n VAL 28 N 0.00 0.00 -4.25 5.18 3.14 -1.14 -4.98 118.33 116.28 1sjq n VAL 28 Ca 0.00 0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 1sjq n VAL 28 Cb 0.00 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 32.69 1sjq n VAL 28 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1sjq s THR 29 N -0.20 4.15 0.11 1.55 -4.23 -1.26 -5.02 115.64 110.73 1sjq s THR 29 Ca 0.00 -0.67 -0.19 0.00 -1.18 0.00 0.00 61.69 59.65 1sjq s THR 29 Cb 0.00 -2.88 -0.06 0.00 1.34 0.00 0.00 72.50 70.91 1sjq s THR 29 CO 0.00 0.32 1.66 -0.33 -0.54 0.00 0.00 174.62 175.73 1sjq h GLU 30 N 4.15 0.40 -1.86 3.99 3.07 -1.99 -2.48 114.58 119.87 1sjq h GLU 30 Ca -0.49 -0.07 0.54 0.00 -0.50 0.00 0.00 59.36 58.84 1sjq h GLU 30 Cb 1.17 -0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 28.94 1sjq h GLU 30 CO 0.58 0.42 1.40 0.41 -1.40 0.00 0.00 179.01 180.42 1sjq n GLY 31 N -0.75 -0.96 0.06 -3.84 0.00 -1.26 0.82 105.19 99.26 1sjq n GLY 31 Ca -0.03 0.65 -0.08 0.00 0.00 0.00 0.00 46.02 46.57 1sjq n GLY 31 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sjq h GLU 32 N 0.00 0.00 0.76 1.61 4.39 -1.87 -2.52 114.58 116.94 1sjq h GLU 32 Ca 0.88 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.55 1sjq h GLU 32 Cb 3.68 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 32.33 1sjq h GLU 32 CO -0.01 0.50 -0.36 0.28 -1.16 0.00 0.00 179.01 178.25 1sjq h VAL 33 N -1.00 0.22 -0.29 3.13 2.07 0.05 -2.92 116.25 117.51 1sjq h VAL 33 Ca -0.02 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.48 1sjq h VAL 33 Cb 0.55 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 1sjq h VAL 33 CO -0.01 0.01 -0.09 0.40 0.02 0.00 0.00 177.57 177.89 1sjq h ILE 34 N -1.08 0.67 -0.96 4.57 2.04 0.22 -1.34 117.51 121.62 1sjq h ILE 34 Ca -0.10 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.06 1sjq h ILE 34 Cb 0.79 0.67 -0.17 0.00 -0.74 0.00 0.00 36.82 37.37 1sjq h ILE 34 CO 0.17 0.00 0.29 0.28 0.00 0.00 0.00 178.15 178.89 1sjq h SER 35 N -0.02 -0.02 -0.17 1.72 0.02 -1.40 2.21 113.55 115.88 1sjq h SER 35 Ca 0.14 0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 61.29 1sjq h SER 35 Cb 0.24 0.33 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1sjq h SER 35 CO -0.32 -0.30 -0.03 -0.07 -1.14 0.00 0.00 176.83 174.97 1sjq h LEU 36 N 0.10 0.43 0.00 5.07 3.38 -1.05 -2.36 115.31 120.87 1sjq h LEU 36 Ca 0.67 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.49 1sjq h LEU 36 Cb 1.53 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1sjq h LEU 36 CO -0.77 0.52 -0.46 1.23 0.09 0.00 0.00 178.44 179.05 1sjq h GLY 37 N 0.81 0.00 -0.95 0.83 0.00 0.36 -3.36 103.07 100.76 1sjq h GLY 37 Ca 0.09 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.53 1sjq h GLY 37 CO 0.01 0.00 -0.54 1.41 0.00 0.00 0.00 176.54 177.43 1sjq h LEU 38 N 0.00 -1.96 -0.60 3.11 4.07 0.36 0.16 115.31 120.45 1sjq h LEU 38 Ca -0.02 0.32 -0.10 0.00 0.08 0.00 0.00 57.88 58.17 1sjq h LEU 38 Cb 1.25 0.89 -0.02 0.00 1.08 0.00 0.00 40.66 43.86 1sjq h LEU 38 CO 0.04 -0.26 0.00 1.55 -1.08 0.00 0.00 178.44 178.69 1sjq h PRO 39 N -0.03 1.06 -0.50 1.13 0.13 -1.72 -2.71 132.00 129.36 1sjq h PRO 39 Ca 0.20 -0.34 0.14 0.00 -0.87 0.00 0.00 66.00 65.13 1sjq h PRO 39 Cb 0.47 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1sjq h PRO 39 CO -0.93 1.04 0.36 0.74 -0.23 0.00 0.00 178.00 178.98 1sjq h PHE 40 N 0.96 0.05 0.00 1.56 0.04 -0.99 -3.47 116.94 115.09 1sjq h PHE 40 Ca 0.17 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.94 1sjq h PHE 40 Cb 0.56 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1sjq h PHE 40 CO 0.04 0.02 0.00 0.41 -0.60 0.00 0.00 178.31 178.18 1sjq n GLY 41 N -1.62 -0.78 3.26 -1.45 0.00 0.32 -3.72 105.19 101.19 1sjq n GLY 41 Ca 0.09 0.27 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 0.42 -0.22 1.61 1.02 -1.26 -4.60 119.74 116.71 1sjq s LYS 42 Ca 0.00 0.56 -0.23 0.00 0.02 0.00 0.00 55.97 56.33 1sjq s LYS 42 Cb 0.00 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.46 1sjq s LYS 42 CO 0.00 -0.07 0.73 0.08 -0.92 0.00 0.00 175.35 175.17 1sjq s VAL 43 N 0.44 4.92 -2.70 3.17 1.01 -1.26 -2.43 120.40 123.55 1sjq s VAL 43 Ca -0.02 1.38 0.25 0.00 0.00 0.00 0.00 61.98 63.60 1sjq s VAL 43 Cb -0.04 -4.04 0.27 0.00 0.00 0.00 0.00 36.38 32.58 1sjq s VAL 43 CO -0.02 0.01 1.39 0.35 0.00 0.00 0.00 175.10 176.83 1sjq n THR 44 N 5.01 0.00 0.00 3.92 -2.24 0.70 -4.91 114.28 116.77 1sjq n THR 44 Ca 0.02 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1sjq n THR 44 Cb 0.49 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 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 0.79 0.00 -3.56 3.42 5.15 -1.20 -4.85 115.26 115.00 1sjq n ASN 45 Ca 0.15 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.85 1sjq n ASN 45 Cb 0.51 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.60 1sjq n ASN 45 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1sjq s LEU 46 N 0.00 0.49 -0.26 1.20 2.96 -1.26 -2.33 118.68 119.49 1sjq s LEU 46 Ca 0.00 -1.08 -0.01 0.00 -0.22 0.00 0.00 54.13 52.82 1sjq s LEU 46 Cb 0.00 -0.32 0.03 0.00 0.50 0.00 0.00 46.19 46.40 1sjq s LEU 46 CO 0.00 -0.41 -0.05 -0.22 -1.32 0.00 0.00 176.35 174.34 1sjq s LEU 47 N 2.11 3.34 -0.56 -0.68 1.98 -0.52 -5.01 118.68 119.34 1sjq s LEU 47 Ca 0.07 -0.99 -0.16 0.00 -2.89 0.00 0.00 54.13 50.16 1sjq s LEU 47 Cb -0.16 -1.66 0.13 0.00 0.66 0.00 0.00 46.19 45.16 1sjq s LEU 47 CO -0.28 -0.16 0.52 -0.04 -1.89 0.00 0.00 176.35 174.51 1sjq s MET 48 N 1.29 3.02 -0.79 1.98 -1.94 -1.26 -0.75 119.30 120.85 1sjq s MET 48 Ca -0.01 -1.72 -0.25 0.00 -1.71 0.00 0.00 55.69 52.00 1sjq s MET 48 Cb -0.17 -4.30 0.05 0.00 2.01 0.00 0.00 34.83 32.41 1sjq s MET 48 CO -0.04 -1.34 1.25 -1.17 -0.01 0.00 0.00 175.02 173.71 1sjq s LEU 49 N 1.61 3.56 0.65 -0.03 2.96 -0.83 -4.85 118.68 121.75 1sjq s LEU 49 Ca 0.04 -0.84 0.23 0.00 -0.22 0.00 0.00 54.13 53.33 1sjq s LEU 49 Cb -0.29 -2.53 1.17 0.00 0.50 0.00 0.00 46.19 45.04 1sjq s LEU 49 CO 0.03 -1.66 1.65 0.11 -1.32 0.00 0.00 176.35 175.16 1sjq h LYS 50 N 9.83 0.00 -6.29 1.98 1.79 -1.84 -3.05 116.57 118.99 1sjq h LYS 50 Ca -0.16 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.76 1sjq h LYS 50 Cb 1.04 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.66 1sjq h LYS 50 CO 1.28 0.00 0.56 0.20 -1.08 0.00 0.00 179.45 180.41 1sjq s GLY 51 N -3.58 2.40 0.00 3.86 0.00 -1.26 -3.20 107.32 105.54 1sjq s GLY 51 Ca -0.03 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.13 1sjq s GLY 51 CO 0.28 1.93 0.00 0.28 0.00 0.00 0.00 173.10 175.58 1sjq n LYS 52 N 4.87 -0.62 -3.63 2.90 5.02 -1.26 -3.76 118.16 121.68 1sjq n LYS 52 Ca 0.09 0.16 -0.28 0.00 -2.02 0.00 0.00 58.31 56.26 1sjq n LYS 52 Cb 0.49 -3.72 0.04 0.00 -0.02 0.00 0.00 35.03 31.81 1sjq n LYS 52 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sjq n ASN 53 N -0.31 -5.56 -3.82 4.39 5.03 -1.19 -4.90 115.26 108.89 1sjq n ASN 53 Ca 0.00 -0.91 -0.14 0.00 0.87 0.00 0.00 54.58 54.40 1sjq n ASN 53 Cb 0.16 -3.41 -0.15 0.00 -1.02 0.00 0.00 39.78 35.36 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 -5.55 -0.02 0.37 3.52 -1.52 -1.15 -3.56 119.66 111.74 1sjq s GLN 54 Ca 0.38 0.10 0.08 0.00 -1.95 0.00 0.00 55.36 53.96 1sjq s GLN 54 Cb -0.13 -0.13 -0.04 0.00 -0.22 0.00 0.00 33.01 32.49 1sjq s GLN 54 CO 0.85 -0.09 0.23 0.00 -0.25 0.00 0.00 175.29 176.04 1sjq s ALA 55 N 0.55 3.70 -0.16 6.09 0.00 -1.07 -1.96 121.76 128.90 1sjq s ALA 55 Ca -0.05 -1.84 -0.04 0.00 0.00 0.00 0.00 51.96 50.03 1sjq s ALA 55 Cb -0.07 -0.83 0.08 0.00 0.00 0.00 0.00 23.12 22.30 1sjq s ALA 55 CO -0.02 -0.06 0.26 -0.06 0.00 0.00 0.00 175.76 175.89 1sjq s PHE 56 N -2.43 -0.42 0.02 0.00 0.40 0.07 -0.10 117.98 115.51 1sjq s PHE 56 Ca 0.41 0.73 0.08 0.00 -0.60 0.00 0.00 56.93 57.55 1sjq s PHE 56 Cb -0.02 -0.13 -0.03 0.00 0.51 0.00 0.00 43.02 43.35 1sjq s PHE 56 CO 0.25 -0.47 -0.22 0.96 0.70 0.00 0.00 175.22 176.43 1sjq s ILE 57 N 2.41 2.44 -0.20 0.64 -4.36 -0.91 -1.44 121.20 119.78 1sjq s ILE 57 Ca 0.04 -1.18 -0.04 0.00 -0.26 0.00 0.00 60.65 59.21 1sjq s ILE 57 Cb -0.13 -1.96 -0.02 0.00 1.25 0.00 0.00 42.46 41.60 1sjq s ILE 57 CO -0.10 0.44 -0.02 -1.61 0.24 0.00 0.00 174.94 173.88 1sjq s GLU 58 N -1.09 3.55 0.01 0.37 2.02 -0.98 -0.66 118.70 121.92 1sjq s GLU 58 Ca 0.12 -0.55 -0.17 0.00 0.02 0.00 0.00 54.97 54.39 1sjq s GLU 58 Cb -0.10 -3.02 -0.06 0.00 0.10 0.00 0.00 34.13 31.05 1sjq s GLU 58 CO 0.02 -0.00 0.48 -1.64 0.02 0.00 0.00 175.26 174.13 1sjq s MET 59 N 1.02 4.07 0.44 1.61 -1.94 -1.17 0.25 119.30 123.58 1sjq s MET 59 Ca 0.01 0.53 0.20 0.00 -1.71 0.00 0.00 55.69 54.73 1sjq s MET 59 Cb -0.14 -3.26 1.01 0.00 2.01 0.00 0.00 34.83 34.45 1sjq s MET 59 CO 0.01 0.60 1.91 -0.91 -0.01 0.00 0.00 175.02 176.63 1sjq h ASN 60 N 4.91 0.00 -4.43 3.03 2.35 -1.83 -3.43 115.58 116.18 1sjq h ASN 60 Ca -0.50 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 54.65 1sjq h ASN 60 Cb 1.21 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.29 1sjq h ASN 60 CO 0.64 0.26 -0.86 0.28 -1.65 0.00 0.00 177.43 176.10 1sjq s THR 61 N -4.09 1.66 0.25 2.81 -1.32 -1.26 -5.03 115.64 108.66 1sjq s THR 61 Ca -0.02 -0.91 -0.03 0.00 -1.21 0.00 0.00 61.69 59.52 1sjq s THR 61 Cb 0.13 -1.38 0.23 0.00 -1.51 0.00 0.00 72.50 69.97 1sjq s THR 61 CO 0.66 0.46 1.80 -0.33 -2.21 0.00 0.00 174.62 175.00 1sjq h GLU 62 N 5.58 0.76 -0.31 7.08 5.08 -1.87 0.13 114.58 131.02 1sjq h GLU 62 Ca -0.40 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.01 1sjq h GLU 62 Cb 1.14 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1sjq h GLU 62 CO 0.48 0.50 0.24 1.49 -1.00 0.00 0.00 179.01 180.71 1sjq h GLU 63 N 0.78 0.00 0.10 2.33 4.22 -1.92 -2.10 114.58 117.98 1sjq h GLU 63 Ca 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.86 1sjq h GLU 63 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1sjq h GLU 63 CO -0.28 0.00 -0.05 0.00 -2.18 0.00 0.00 179.01 176.51 1sjq h ALA 64 N 1.82 -0.13 0.18 2.92 0.00 -0.83 -3.02 119.26 120.20 1sjq h ALA 64 Ca 0.15 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1sjq h ALA 64 Cb 0.62 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1sjq h ALA 64 CO -0.00 -0.27 -0.48 0.00 0.00 0.00 0.00 179.25 178.50 1sjq h ALA 65 N 0.04 -0.99 -0.07 0.00 0.00 -1.09 -1.80 119.26 115.33 1sjq h ALA 65 Ca -0.01 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1sjq h ALA 65 Cb 0.56 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 1sjq h ALA 65 CO 0.02 -1.09 -0.09 -0.91 0.00 0.00 0.00 179.25 177.18 1sjq h ASN 66 N -0.73 -0.29 -1.35 0.00 2.35 -1.56 0.17 115.58 114.17 1sjq h ASN 66 Ca -0.02 0.04 0.46 0.00 -0.55 0.00 0.00 56.30 56.23 1sjq h ASN 66 Cb 0.71 0.12 -0.14 0.00 0.05 0.00 0.00 38.32 39.07 1sjq h ASN 66 CO -0.22 -0.06 0.86 0.74 -1.65 0.00 0.00 177.43 177.11 1sjq h THR 67 N -0.05 0.05 0.08 2.81 2.02 -1.46 0.68 112.91 117.04 1sjq h THR 67 Ca 0.01 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1sjq h THR 67 Cb 0.09 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.49 1sjq h THR 67 CO -0.10 0.01 -0.25 -0.03 0.37 0.00 0.00 175.52 175.52 1sjq h MET 68 N 0.04 -0.37 0.02 6.66 -1.53 0.25 -1.04 114.93 118.95 1sjq h MET 68 Ca 0.86 0.02 -0.02 0.00 -3.44 0.00 0.00 59.70 57.12 1sjq h MET 68 Cb 2.72 0.08 0.00 0.00 -0.55 0.00 0.00 31.60 33.86 1sjq h MET 68 CO -0.46 -0.24 -0.11 0.28 0.14 0.00 0.00 176.91 176.52 1sjq h VAL 69 N -0.38 1.75 -0.83 -5.77 2.07 -0.88 -3.06 116.25 109.16 1sjq h VAL 69 Ca -0.01 -2.34 0.11 0.00 0.82 0.00 0.00 66.70 65.28 1sjq h VAL 69 Cb 0.37 3.34 -0.13 0.00 -1.52 0.00 0.00 31.29 33.35 1sjq h VAL 69 CO -0.12 0.62 -0.48 -1.13 0.02 0.00 0.00 177.57 176.47 1sjq h ASN 70 N -0.90 -1.72 0.04 0.57 -0.00 0.19 2.01 115.58 115.77 1sjq h ASN 70 Ca -0.02 0.29 -0.00 0.00 -0.00 0.00 0.00 56.30 56.57 1sjq h ASN 70 Cb 1.07 0.80 0.00 0.00 -0.00 0.00 0.00 38.32 40.19 1sjq h ASN 70 CO 0.02 -0.29 -0.02 0.22 -0.00 0.00 0.00 177.43 177.36 1sjq h TYR 71 N -0.10 -0.04 0.00 0.67 3.20 -1.33 -1.79 116.97 117.57 1sjq h TYR 71 Ca 0.22 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 1sjq h TYR 71 Cb 0.53 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.81 1sjq h TYR 71 CO -0.86 0.03 0.00 0.66 -1.64 0.00 0.00 178.16 176.35 1sjq n TYR 72 N -5.08 0.00 0.30 -3.82 4.01 -0.27 -3.53 117.16 108.77 1sjq n TYR 72 Ca -0.08 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.81 1sjq n TYR 72 Cb 0.07 -0.02 0.73 0.00 -0.31 0.00 0.00 39.34 39.81 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 0.00 0.04 0.00 -0.72 2.02 0.41 -3.24 112.91 111.42 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 0.01 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1sjq h THR 73 CO 0.00 0.00 -0.52 -0.24 0.37 0.00 0.00 175.52 175.13 1sjq n SER 74 N -2.94 0.12 -4.66 4.18 2.88 -1.23 -5.04 113.62 106.93 1sjq n SER 74 Ca -0.01 0.05 -0.40 0.00 -1.33 0.00 0.00 58.87 57.19 1sjq n SER 74 Cb 0.48 -0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.87 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 -2.00 5.04 -0.06 2.46 0.11 -1.22 -5.06 120.40 119.66 1sjq s VAL 75 Ca 0.00 1.13 -0.07 0.00 -2.93 0.00 0.00 61.98 60.12 1sjq s VAL 75 Cb 0.00 -3.92 -0.04 0.00 -1.53 0.00 0.00 36.38 30.89 1sjq s VAL 75 CO 0.00 0.12 0.19 -0.89 -3.33 0.00 0.00 175.10 171.19 1sjq s THR 76 N 1.88 5.42 -0.43 5.04 2.01 -1.26 -4.10 115.64 124.20 1sjq s THR 76 Ca 0.28 0.17 -0.17 0.00 0.31 0.00 0.00 61.69 62.27 1sjq s THR 76 Cb -0.16 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 68.89 1sjq s THR 76 CO 0.10 0.50 0.44 -2.16 -0.69 0.00 0.00 174.62 172.81 1sjq s PRO 77 N -1.37 3.08 0.59 4.92 0.04 -1.26 -4.94 135.00 136.06 1sjq s PRO 77 Ca 0.21 -0.80 0.09 0.00 0.04 0.00 0.00 61.00 60.54 1sjq s PRO 77 Cb -0.13 -3.98 0.09 0.00 0.04 0.00 0.00 34.50 30.53 1sjq s PRO 77 CO 0.10 -0.87 0.78 1.33 0.04 0.00 0.00 177.00 178.38 1sjq n VAL 78 N 5.42 0.00 -3.66 -0.36 0.24 -1.26 -3.49 118.33 115.22 1sjq n VAL 78 Ca -0.08 -1.99 -0.07 0.00 -2.04 0.00 0.00 64.34 60.17 1sjq n VAL 78 Cb 0.47 -0.47 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 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 -0.71 -0.34 1.34 1.43 -0.99 -4.87 118.68 114.54 1sjq s LEU 79 Ca 0.59 1.19 0.00 0.00 -1.03 0.00 0.00 54.13 54.88 1sjq s LEU 79 Cb -0.05 1.71 0.00 0.00 0.03 0.00 0.00 46.19 47.89 1sjq s LEU 79 CO 0.38 -0.22 0.00 -1.14 0.23 0.00 0.00 176.35 175.59 1sjq n ARG 80 N 5.08 -1.59 0.00 1.70 0.63 -1.26 -1.39 116.66 119.83 1sjq n ARG 80 Ca -0.13 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1sjq n ARG 80 Cb 0.51 -4.79 0.00 0.00 0.45 0.00 0.00 32.46 28.63 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 0.13 1.04 3.06 5.14 0.00 -1.26 -5.07 105.19 108.22 1sjq n GLY 81 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.00 1.86 -0.18 1.61 -1.52 -0.49 -5.08 119.66 115.87 1sjq s GLN 82 Ca 0.00 -2.03 -0.29 0.00 -1.95 0.00 0.00 55.36 51.09 1sjq s GLN 82 Cb 0.00 -3.42 -0.04 0.00 -0.22 0.00 0.00 33.01 29.33 1sjq s GLN 82 CO 0.00 -1.04 1.73 -2.14 -0.25 0.00 0.00 175.29 173.59 1sjq s PRO 83 N 0.72 3.79 -0.27 2.91 0.02 -1.26 -2.34 135.00 138.57 1sjq s PRO 83 Ca 0.11 1.86 0.02 0.00 0.02 0.00 0.00 61.00 63.02 1sjq s PRO 83 Cb -0.21 -4.08 0.07 0.00 0.02 0.00 0.00 34.50 30.29 1sjq s PRO 83 CO -0.05 -1.31 -0.06 0.96 -0.33 0.00 0.00 177.00 176.21 1sjq s ILE 84 N 5.37 1.96 0.49 2.83 -4.36 -1.23 -4.68 121.20 121.59 1sjq s ILE 84 Ca 0.77 -1.64 -0.20 0.00 -0.26 0.00 0.00 60.65 59.32 1sjq s ILE 84 Cb -0.29 -2.20 -0.08 0.00 1.25 0.00 0.00 42.46 41.14 1sjq s ILE 84 CO 0.31 -0.18 1.02 -0.31 0.24 0.00 0.00 174.94 176.03 1sjq s TYR 85 N 1.16 3.07 -0.24 1.37 1.51 0.14 -4.13 117.35 120.25 1sjq s TYR 85 Ca -0.04 1.57 0.01 0.00 -1.01 0.00 0.00 57.07 57.60 1sjq s TYR 85 Cb -0.19 -3.01 0.06 0.00 -0.11 0.00 0.00 41.96 38.71 1sjq s TYR 85 CO -0.07 -0.71 -0.04 0.42 -1.11 0.00 0.00 175.55 174.04 1sjq s ILE 86 N -2.10 1.48 0.45 2.71 1.01 -1.26 0.54 121.20 124.03 1sjq s ILE 86 Ca 0.66 -1.21 0.05 0.00 0.00 0.00 0.00 60.65 60.15 1sjq s ILE 86 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.51 1sjq s ILE 86 CO 0.21 -0.12 0.10 -1.10 0.00 0.00 0.00 174.94 174.03 1sjq s GLN 87 N 1.41 2.14 0.66 2.79 -0.21 0.16 -4.40 119.66 122.21 1sjq s GLN 87 Ca -0.05 -2.11 -0.14 0.00 0.02 0.00 0.00 55.36 53.08 1sjq s GLN 87 Cb -0.19 -1.76 -0.00 0.00 1.00 0.00 0.00 33.01 32.06 1sjq s GLN 87 CO -0.07 -0.22 1.09 -0.06 -2.12 0.00 0.00 175.29 173.91 1sjq s PHE 88 N -2.73 2.78 0.07 0.91 0.08 -1.26 0.18 117.98 118.01 1sjq s PHE 88 Ca 0.28 1.52 0.10 0.00 0.12 0.00 0.00 56.93 58.96 1sjq s PHE 88 Cb 0.05 -3.07 -0.03 0.00 -0.57 0.00 0.00 43.02 39.39 1sjq s PHE 88 CO 0.15 -1.47 -0.26 0.45 -0.10 0.00 0.00 175.22 173.99 1sjq s SER 89 N -2.89 3.19 -0.35 1.36 0.15 -0.29 -3.81 113.70 111.07 1sjq s SER 89 Ca 0.64 -0.63 -0.14 0.00 0.70 0.00 0.00 55.95 56.52 1sjq s SER 89 Cb -0.18 -0.27 -0.14 0.00 -1.71 0.00 0.00 66.02 63.72 1sjq s SER 89 CO 0.43 0.24 1.58 0.59 1.20 0.00 0.00 173.24 177.28 1sjq n ASN 90 N 1.56 1.82 0.00 5.45 3.02 -1.26 -4.65 115.26 121.20 1sjq n ASN 90 Ca -0.17 -2.34 0.00 0.00 -0.03 0.00 0.00 54.58 52.04 1sjq n ASN 90 Cb 0.52 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 1sjq n ASN 90 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1sjq n HIS 91 N 6.39 0.00 -3.11 3.10 -0.00 -1.26 -4.79 115.22 115.54 1sjq n HIS 91 Ca 0.32 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.84 1sjq n HIS 91 Cb 0.22 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.23 1sjq n HIS 91 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 1sjq n LYS 92 N 0.00 -2.20 -1.66 1.57 4.81 -1.26 -4.71 118.16 114.70 1sjq n LYS 92 Ca 0.00 1.85 -0.56 0.00 -0.87 0.00 0.00 58.31 58.72 1sjq n LYS 92 Cb 0.00 -4.15 -0.07 0.00 0.02 0.00 0.00 35.03 30.83 1sjq n LYS 92 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1sjq n GLU 93 N -0.20 1.15 -2.42 1.64 -0.58 -1.26 -4.90 120.64 114.08 1sjq n GLU 93 Ca 0.03 0.41 -0.35 0.00 -0.42 0.00 0.00 57.16 56.83 1sjq n GLU 93 Cb 0.54 -2.15 -0.02 0.00 -0.57 0.00 0.00 31.44 29.23 1sjq n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1sjq s LEU 94 N 4.15 3.85 -0.01 -4.62 1.43 -1.26 -5.06 118.68 117.16 1sjq s LEU 94 Ca 1.00 2.06 0.01 0.00 -1.03 0.00 0.00 54.13 56.17 1sjq s LEU 94 Cb -1.04 -4.51 0.01 0.00 0.03 0.00 0.00 46.19 40.68 1sjq s LEU 94 CO 0.63 -0.92 -0.03 -1.59 0.23 0.00 0.00 176.35 174.67 1sjq s LYS 95 N -3.14 0.34 -0.05 1.70 -2.85 -1.26 -5.15 119.74 109.34 1sjq s LYS 95 Ca 0.68 -0.09 0.03 0.00 -1.00 0.00 0.00 55.97 55.60 1sjq s LYS 95 Cb -0.21 -0.38 0.00 0.00 -2.06 0.00 0.00 37.83 35.19 1sjq s LYS 95 CO 0.24 0.02 -0.15 0.99 0.10 0.00 0.00 175.35 176.56 1sjq s THR 96 N 0.22 1.30 1.29 3.79 2.01 -1.26 -5.14 115.64 117.85 1sjq s THR 96 Ca -0.02 -0.62 -0.19 0.00 0.31 0.00 0.00 61.69 61.17 1sjq s THR 96 Cb -0.05 -1.14 0.30 0.00 0.01 0.00 0.00 72.50 71.61 1sjq s THR 96 CO -0.00 0.38 0.74 0.47 -0.69 0.00 0.00 174.62 175.52 1sjq n ASP 97 N 3.40 -3.09 -3.24 3.53 8.00 -1.26 -4.39 116.55 119.50 1sjq n ASP 97 Ca -0.20 -0.51 -0.25 0.00 0.71 0.00 0.00 54.79 54.55 1sjq n ASP 97 Cb 0.53 -1.04 0.03 0.00 -0.02 0.00 0.00 41.12 40.61 1sjq n ASP 97 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1sjq n SER 98 N -4.46 -6.49 0.00 -2.24 2.88 -1.26 -5.35 113.62 96.70 1sjq n SER 98 Ca 0.07 0.18 0.02 0.00 -1.33 0.00 0.00 58.87 57.81 1sjq n SER 98 Cb 0.55 -3.04 0.15 0.00 -0.75 0.00 0.00 64.21 61.12 1sjq n SER 98 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27