#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 -3.07 3.09 5.00 0.00 -1.26 -4.96 105.19 103.99 1sjq n GLY 13 Ca 0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.76 1.83 -0.79 1.61 -7.23 -1.26 -5.04 120.40 107.76 1sjq s VAL 14 Ca 0.48 -0.81 -0.18 0.00 -1.81 0.00 0.00 61.98 59.66 1sjq s VAL 14 Cb -0.39 -1.67 -0.19 0.00 0.56 0.00 0.00 36.38 34.69 1sjq s VAL 14 CO 0.61 0.50 2.06 -2.65 -0.31 0.00 0.00 175.10 175.32 1sjq n PRO 15 N 4.56 0.23 -3.58 4.82 -0.02 -1.26 -4.81 135.00 134.93 1sjq n PRO 15 Ca -0.19 -0.72 -0.29 0.00 -2.02 0.00 0.00 63.50 60.28 1sjq n PRO 15 Cb 0.50 -2.69 -0.15 0.00 -0.02 0.00 0.00 33.50 31.14 1sjq n PRO 15 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1sjq s SER 16 N 6.04 3.46 -0.15 2.55 0.01 -1.26 -4.98 113.70 119.36 1sjq s SER 16 Ca 0.86 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.87 1sjq s SER 16 Cb -0.27 -0.42 -0.10 0.00 0.21 0.00 0.00 66.02 65.44 1sjq s SER 16 CO 0.21 -0.42 -0.14 0.54 0.41 0.00 0.00 173.24 173.84 1sjq n ARG 17 N 5.19 0.38 -3.47 12.44 1.74 -1.26 -4.45 116.66 127.23 1sjq n ARG 17 Ca -0.06 0.09 -0.38 0.00 -0.77 0.00 0.00 57.85 56.74 1sjq n ARG 17 Cb 0.43 -1.29 -0.06 0.00 -1.02 0.00 0.00 32.46 30.52 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 -2.31 5.12 -0.35 1.55 1.01 -1.26 -2.51 120.40 121.65 1sjq s VAL 18 Ca -0.21 0.81 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 1sjq s VAL 18 Cb 0.06 -3.72 0.04 0.00 0.00 0.00 0.00 36.38 32.76 1sjq s VAL 18 CO 0.35 0.49 0.14 -0.63 0.00 0.00 0.00 175.10 175.45 1sjq s ILE 19 N -0.40 4.03 -0.49 2.22 -1.09 0.85 -0.73 121.20 125.60 1sjq s ILE 19 Ca 0.23 -1.06 -0.27 0.00 -2.23 0.00 0.00 60.65 57.32 1sjq s ILE 19 Cb -0.16 -3.28 0.03 0.00 -1.58 0.00 0.00 42.46 37.48 1sjq s ILE 19 CO 0.11 -0.21 1.02 -2.28 -1.23 0.00 0.00 174.94 172.35 1sjq s HIS 20 N 1.45 2.84 -0.19 3.97 2.46 0.71 -2.22 115.29 124.30 1sjq s HIS 20 Ca -0.00 0.45 -0.26 0.00 0.47 0.00 0.00 55.06 55.71 1sjq s HIS 20 Cb -0.20 -4.19 -0.01 0.00 -0.13 0.00 0.00 32.58 28.05 1sjq s HIS 20 CO 0.04 -1.24 0.88 0.42 -2.47 0.00 0.00 174.74 172.37 1sjq s ILE 21 N 4.13 4.83 0.50 0.89 1.01 0.97 0.81 121.20 134.34 1sjq s ILE 21 Ca 0.40 1.72 0.08 0.00 0.00 0.00 0.00 60.65 62.85 1sjq s ILE 21 Cb -0.09 -4.18 0.04 0.00 0.01 0.00 0.00 42.46 38.24 1sjq s ILE 21 CO 0.27 -0.04 0.57 -0.60 0.00 0.00 0.00 174.94 175.15 1sjq s ARG 22 N 2.49 2.46 -1.77 2.79 3.52 0.19 -2.38 118.95 126.24 1sjq s ARG 22 Ca 0.39 -1.61 -0.19 0.00 -0.13 0.00 0.00 55.73 54.19 1sjq s ARG 22 Cb -0.16 -2.50 0.18 0.00 -1.56 0.00 0.00 34.95 30.91 1sjq s ARG 22 CO 0.10 -0.54 0.61 1.17 -0.81 0.00 0.00 175.30 175.84 1sjq n LYS 23 N -1.90 -1.75 -4.42 5.12 4.81 -1.26 -0.73 118.16 118.02 1sjq n LYS 23 Ca 0.08 0.23 -0.26 0.00 -0.87 0.00 0.00 58.31 57.49 1sjq n LYS 23 Cb 0.62 -4.75 -0.17 0.00 0.02 0.00 0.00 35.03 30.75 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 -7.26 1.57 -1.16 3.14 2.96 -1.26 -3.85 118.68 112.82 1sjq s LEU 24 Ca 0.70 -0.33 -0.18 0.00 -0.22 0.00 0.00 54.13 54.10 1sjq s LEU 24 Cb -0.40 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.37 1sjq s LEU 24 CO 0.98 -0.00 2.04 -0.81 -1.32 0.00 0.00 176.35 177.25 1sjq n PRO 25 N 4.12 2.27 -0.46 0.98 -0.04 -1.26 -3.96 135.00 136.64 1sjq n PRO 25 Ca -0.20 -2.36 -0.22 0.00 -0.04 0.00 0.00 63.50 60.68 1sjq n PRO 25 Cb 0.51 -3.20 -0.04 0.00 -0.04 0.00 0.00 33.50 30.73 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 5.77 0.00 0.00 0.52 2.08 -1.26 -2.92 119.36 123.54 1sjq n ILE 26 Ca 0.50 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.81 1sjq n ILE 26 Cb 0.41 -0.18 0.00 0.00 -0.75 0.00 0.00 39.64 39.12 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 2.63 0.00 -3.05 4.38 2.03 -1.26 -4.74 116.55 116.54 1sjq n ASP 27 Ca 0.19 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.50 1sjq n ASP 27 Cb -0.01 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.00 -3.87 5.18 3.14 -1.15 -4.96 118.33 116.68 1sjq n VAL 28 Ca 0.00 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 1sjq n VAL 28 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 32.73 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 -0.48 5.41 0.02 1.55 -4.23 -1.26 -5.01 115.64 111.64 1sjq s THR 29 Ca 0.00 -0.04 -0.21 0.00 -1.18 0.00 0.00 61.69 60.26 1sjq s THR 29 Cb 0.00 -3.53 -0.16 0.00 1.34 0.00 0.00 72.50 70.15 1sjq s THR 29 CO 0.00 0.36 1.31 -0.33 -0.54 0.00 0.00 174.62 175.42 1sjq h GLU 30 N 3.96 0.30 -1.73 3.99 3.07 -1.99 -3.02 114.58 119.16 1sjq h GLU 30 Ca -0.50 -0.17 0.50 0.00 -0.50 0.00 0.00 59.36 58.69 1sjq h GLU 30 Cb 1.19 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 29.05 1sjq h GLU 30 CO 0.67 0.73 1.38 0.78 -1.40 0.00 0.00 179.01 181.17 1sjq h GLY 31 N -0.11 0.00 0.00 -3.84 0.00 -1.97 0.36 103.07 97.51 1sjq h GLY 31 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.32 1sjq h GLY 31 CO 0.03 0.00 -0.28 0.83 0.00 0.00 0.00 176.54 177.12 1sjq h GLU 32 N 0.00 0.00 -0.43 4.80 3.07 -1.95 -1.56 114.58 118.52 1sjq h GLU 32 Ca 0.82 0.00 0.09 0.00 -0.50 0.00 0.00 59.36 59.77 1sjq h GLU 32 Cb 3.57 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 31.40 1sjq h GLU 32 CO -0.01 0.27 -0.10 0.28 -1.40 0.00 0.00 179.01 178.05 1sjq h VAL 33 N -1.00 0.58 -0.31 3.13 2.07 -0.49 -1.02 116.25 119.20 1sjq h VAL 33 Ca -0.04 -0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.33 1sjq h VAL 33 Cb 0.45 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1sjq h VAL 33 CO -0.02 0.00 -0.42 0.40 0.02 0.00 0.00 177.57 177.54 1sjq h ILE 34 N 0.00 1.29 -1.02 4.57 5.03 -0.64 -2.97 117.51 123.77 1sjq h ILE 34 Ca 0.21 -1.60 0.24 0.00 -0.12 0.00 0.00 64.86 63.58 1sjq h ILE 34 Cb 0.31 1.50 -0.11 0.00 -3.03 0.00 0.00 36.82 35.49 1sjq h ILE 34 CO -0.44 0.52 0.62 -1.28 -0.68 0.00 0.00 178.15 176.90 1sjq h SER 35 N 0.63 0.62 -0.08 1.72 0.87 -0.14 0.45 113.55 117.61 1sjq h SER 35 Ca 0.05 0.11 -0.20 0.00 -1.23 0.00 0.00 61.79 60.52 1sjq h SER 35 Cb 0.99 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 1sjq h SER 35 CO 0.09 0.12 -0.69 -0.07 -0.53 0.00 0.00 176.83 175.76 1sjq h LEU 36 N 0.55 0.83 -1.25 2.23 3.38 -1.20 -3.04 115.31 116.80 1sjq h LEU 36 Ca 0.62 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sjq h LEU 36 Cb 1.27 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.78 1sjq h LEU 36 CO -0.40 1.29 -0.02 1.23 0.09 0.00 0.00 178.44 180.63 1sjq h GLY 37 N 0.79 0.00 -0.79 0.83 0.00 -0.21 -3.31 103.07 100.38 1sjq h GLY 37 Ca -0.03 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.38 1sjq h GLY 37 CO 0.14 0.00 -0.55 1.41 0.00 0.00 0.00 176.54 177.54 1sjq h LEU 38 N 0.00 -1.98 -1.27 3.11 4.07 -0.21 0.25 115.31 119.29 1sjq h LEU 38 Ca -0.00 0.29 -0.04 0.00 0.08 0.00 0.00 57.88 58.21 1sjq h LEU 38 Cb 0.59 0.86 -0.02 0.00 1.08 0.00 0.00 40.66 43.17 1sjq h LEU 38 CO 0.00 -0.27 0.06 1.55 -1.08 0.00 0.00 178.44 178.70 1sjq h PRO 39 N -0.11 0.56 -0.26 1.13 0.13 -1.77 -2.29 132.00 129.39 1sjq h PRO 39 Ca 0.13 -0.10 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1sjq h PRO 39 Cb 0.44 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.47 1sjq h PRO 39 CO -0.80 0.54 0.16 0.74 -0.23 0.00 0.00 178.00 178.41 1sjq h PHE 40 N 0.54 0.33 0.00 1.56 0.04 -0.75 -3.48 116.94 115.18 1sjq h PHE 40 Ca 0.12 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.90 1sjq h PHE 40 Cb 0.26 -0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.30 1sjq h PHE 40 CO 0.01 0.22 0.00 0.41 -0.60 0.00 0.00 178.31 178.35 1sjq n GLY 41 N -1.46 -0.95 3.25 -1.45 0.00 0.18 -3.67 105.19 101.09 1sjq n GLY 41 Ca 0.01 0.34 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 0.41 -0.22 1.61 1.02 -1.26 -4.65 119.74 116.65 1sjq s LYS 42 Ca 0.00 0.58 -0.22 0.00 0.02 0.00 0.00 55.97 56.35 1sjq s LYS 42 Cb 0.00 0.14 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 1sjq s LYS 42 CO 0.00 -0.08 0.70 0.08 -0.92 0.00 0.00 175.35 175.13 1sjq s VAL 43 N 0.51 4.95 -2.45 3.17 1.01 -1.26 -2.27 120.40 124.06 1sjq s VAL 43 Ca -0.03 1.31 0.25 0.00 0.00 0.00 0.00 61.98 63.51 1sjq s VAL 43 Cb -0.04 -4.00 0.23 0.00 0.00 0.00 0.00 36.38 32.57 1sjq s VAL 43 CO -0.03 0.04 1.37 0.35 0.00 0.00 0.00 175.10 176.83 1sjq n THR 44 N 4.97 0.00 0.00 3.92 -2.24 0.74 -4.89 114.28 116.77 1sjq n THR 44 Ca 0.01 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1sjq n THR 44 Cb 0.49 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 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 0.43 0.00 -3.44 3.42 2.85 -1.20 -4.84 115.26 112.48 1sjq n ASN 45 Ca 0.14 0.00 -0.20 0.00 -0.11 0.00 0.00 54.58 54.41 1sjq n ASN 45 Cb 0.47 0.00 -0.11 0.00 1.24 0.00 0.00 39.78 41.38 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 -0.05 -0.31 1.20 2.96 -1.26 -1.77 118.68 119.45 1sjq s LEU 46 Ca 0.00 -0.86 -0.07 0.00 -0.22 0.00 0.00 54.13 52.98 1sjq s LEU 46 Cb 0.00 0.30 0.02 0.00 0.50 0.00 0.00 46.19 47.00 1sjq s LEU 46 CO 0.00 -0.40 0.09 -0.22 -1.32 0.00 0.00 176.35 174.50 1sjq s LEU 47 N 2.30 3.97 -0.78 -0.68 0.20 -0.63 -4.98 118.68 118.08 1sjq s LEU 47 Ca 0.09 -0.80 -0.20 0.00 0.69 0.00 0.00 54.13 53.92 1sjq s LEU 47 Cb -0.14 -1.89 0.11 0.00 -0.43 0.00 0.00 46.19 43.84 1sjq s LEU 47 CO -0.33 -0.22 0.97 -0.04 -0.29 0.00 0.00 176.35 176.44 1sjq s MET 48 N 1.49 3.35 -0.87 1.98 -1.94 -1.26 -1.51 119.30 120.53 1sjq s MET 48 Ca 0.02 -1.45 -0.25 0.00 -1.71 0.00 0.00 55.69 52.30 1sjq s MET 48 Cb -0.18 -4.56 -0.00 0.00 2.01 0.00 0.00 34.83 32.11 1sjq s MET 48 CO 0.03 -1.71 1.68 -1.17 -0.01 0.00 0.00 175.02 173.83 1sjq s LEU 49 N 2.93 3.29 0.58 -0.03 0.20 -0.67 -4.80 118.68 120.19 1sjq s LEU 49 Ca 0.24 -0.73 0.23 0.00 0.69 0.00 0.00 54.13 54.57 1sjq s LEU 49 Cb -0.13 -2.56 1.28 0.00 -0.43 0.00 0.00 46.19 44.36 1sjq s LEU 49 CO -0.01 -2.16 1.70 0.11 -0.29 0.00 0.00 176.35 175.70 1sjq h LYS 50 N 11.23 0.00 0.00 1.98 1.79 -1.85 -3.09 116.57 126.63 1sjq h LYS 50 Ca 0.02 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.49 1sjq h LYS 50 Cb 1.04 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.69 1sjq h LYS 50 CO 1.29 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 180.07 1sjq n GLY 51 N -1.26 0.00 2.75 3.86 0.00 -1.26 -3.39 105.19 105.89 1sjq n GLY 51 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 3.94 -3.84 1.61 5.02 -1.25 -4.91 118.16 118.73 1sjq n LYS 52 Ca 0.00 -4.40 -0.29 0.00 -2.02 0.00 0.00 58.31 51.60 1sjq n LYS 52 Cb 0.00 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 32.68 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 -0.29 -4.73 -3.72 4.39 5.03 -1.22 -4.97 115.26 109.75 1sjq n ASN 53 Ca 0.44 -1.03 -0.12 0.00 0.87 0.00 0.00 54.58 54.74 1sjq n ASN 53 Cb 0.35 -1.69 -0.13 0.00 -1.02 0.00 0.00 39.78 37.29 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 -5.41 0.22 0.26 3.52 -0.21 -1.17 -4.01 119.66 112.86 1sjq s GLN 54 Ca 0.09 0.57 0.08 0.00 0.02 0.00 0.00 55.36 56.13 1sjq s GLN 54 Cb -0.05 -0.11 -0.04 0.00 1.00 0.00 0.00 33.01 33.81 1sjq s GLN 54 CO 0.91 -0.17 0.09 0.00 -2.12 0.00 0.00 175.29 174.00 1sjq s ALA 55 N 1.35 3.37 -0.12 6.09 0.00 -1.00 -1.67 121.76 129.78 1sjq s ALA 55 Ca -0.09 -1.55 -0.04 0.00 0.00 0.00 0.00 51.96 50.28 1sjq s ALA 55 Cb -0.10 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.06 1sjq s ALA 55 CO -0.09 0.25 0.15 -0.06 0.00 0.00 0.00 175.76 176.01 1sjq s PHE 56 N -2.24 -0.10 0.06 0.00 0.40 -0.57 -0.02 117.98 115.51 1sjq s PHE 56 Ca 0.32 0.31 0.07 0.00 -0.60 0.00 0.00 56.93 57.03 1sjq s PHE 56 Cb -0.07 -0.39 -0.04 0.00 0.51 0.00 0.00 43.02 43.04 1sjq s PHE 56 CO 0.22 -0.38 -0.15 0.96 0.70 0.00 0.00 175.22 176.58 1sjq s ILE 57 N 2.26 3.06 -0.20 0.64 -4.36 -0.94 -1.61 121.20 120.05 1sjq s ILE 57 Ca 0.04 -1.19 -0.03 0.00 -0.26 0.00 0.00 60.65 59.21 1sjq s ILE 57 Cb -0.14 -2.35 -0.01 0.00 1.25 0.00 0.00 42.46 41.21 1sjq s ILE 57 CO -0.07 0.26 -0.06 -1.61 0.24 0.00 0.00 174.94 173.70 1sjq s GLU 58 N -1.72 3.43 0.01 0.37 2.02 -0.73 -0.10 118.70 121.97 1sjq s GLU 58 Ca 0.17 -0.62 -0.18 0.00 0.02 0.00 0.00 54.97 54.36 1sjq s GLU 58 Cb -0.11 -2.93 -0.06 0.00 0.10 0.00 0.00 34.13 31.13 1sjq s GLU 58 CO 0.08 -0.06 0.51 -1.64 0.02 0.00 0.00 175.26 174.17 1sjq s MET 59 N 1.12 4.16 0.56 1.61 -1.94 -1.05 0.26 119.30 124.03 1sjq s MET 59 Ca 0.01 0.60 0.34 0.00 -1.71 0.00 0.00 55.69 54.93 1sjq s MET 59 Cb -0.15 -3.29 1.50 0.00 2.01 0.00 0.00 34.83 34.91 1sjq s MET 59 CO -0.01 0.52 2.04 -0.91 -0.01 0.00 0.00 175.02 176.65 1sjq h ASN 60 N 5.15 0.00 -4.36 3.03 2.35 -1.80 -3.44 115.58 116.52 1sjq h ASN 60 Ca -0.48 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 54.83 1sjq h ASN 60 Cb 1.21 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.34 1sjq h ASN 60 CO 0.66 0.03 -0.79 0.28 -1.65 0.00 0.00 177.43 175.96 1sjq s THR 61 N -3.78 1.15 0.16 2.81 -1.32 -1.26 -5.05 115.64 108.35 1sjq s THR 61 Ca -0.00 -1.10 -0.16 0.00 -1.21 0.00 0.00 61.69 59.22 1sjq s THR 61 Cb 0.10 -1.06 0.02 0.00 -1.51 0.00 0.00 72.50 70.05 1sjq s THR 61 CO 0.54 -0.05 1.81 -0.33 -2.21 0.00 0.00 174.62 174.38 1sjq h GLU 62 N 4.74 0.51 -0.18 7.08 5.08 -1.89 -0.99 114.58 128.93 1sjq h GLU 62 Ca -0.39 -0.03 0.05 0.00 -1.00 0.00 0.00 59.36 57.99 1sjq h GLU 62 Cb 1.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1sjq h GLU 62 CO 0.43 0.34 0.31 1.49 -1.00 0.00 0.00 179.01 180.57 1sjq h GLU 63 N 0.52 0.00 0.04 2.33 4.81 -1.93 -1.81 114.58 118.54 1sjq h GLU 63 Ca 0.16 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1sjq h GLU 63 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1sjq h GLU 63 CO -0.05 0.00 -0.02 0.00 -0.73 0.00 0.00 179.01 178.20 1sjq h ALA 64 N 1.56 -0.06 -0.19 2.92 0.00 -1.26 -3.00 119.26 119.22 1sjq h ALA 64 Ca 0.09 -0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.80 1sjq h ALA 64 Cb 0.70 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 1sjq h ALA 64 CO -0.00 -0.08 -0.20 0.00 0.00 0.00 0.00 179.25 178.97 1sjq h ALA 65 N -0.45 -0.10 0.13 0.00 0.00 -1.04 -1.75 119.26 116.04 1sjq h ALA 65 Ca -0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1sjq h ALA 65 Cb 0.52 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1sjq h ALA 65 CO 0.01 -0.64 -0.16 -0.91 0.00 0.00 0.00 179.25 177.55 1sjq h ASN 66 N -0.23 -0.43 -1.16 0.00 2.35 -1.51 -2.25 115.58 112.35 1sjq h ASN 66 Ca 0.12 0.04 0.43 0.00 -0.55 0.00 0.00 56.30 56.33 1sjq h ASN 66 Cb 0.41 0.15 -0.16 0.00 0.05 0.00 0.00 38.32 38.77 1sjq h ASN 66 CO -0.33 -0.20 0.69 0.74 -1.65 0.00 0.00 177.43 176.69 1sjq h THR 67 N -0.29 0.06 0.11 2.81 2.02 -1.44 0.56 112.91 116.74 1sjq h THR 67 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1sjq h THR 67 Cb 0.26 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1sjq h THR 67 CO -0.03 0.01 -0.26 -0.03 0.37 0.00 0.00 175.52 175.58 1sjq h MET 68 N 0.05 -0.39 -0.00 6.66 1.85 -0.69 -0.27 114.93 122.14 1sjq h MET 68 Ca 0.84 0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 59.95 1sjq h MET 68 Cb 2.40 0.09 0.00 0.00 0.43 0.00 0.00 31.60 34.51 1sjq h MET 68 CO -0.61 -0.26 -0.01 0.28 -0.40 0.00 0.00 176.91 175.91 1sjq h VAL 69 N -0.40 1.60 -0.59 -5.77 2.07 -1.00 -2.99 116.25 109.17 1sjq h VAL 69 Ca -0.01 -1.78 0.06 0.00 0.82 0.00 0.00 66.70 65.79 1sjq h VAL 69 Cb 0.38 2.80 -0.09 0.00 -1.52 0.00 0.00 31.29 32.87 1sjq h VAL 69 CO -0.11 0.46 -0.52 -1.13 0.02 0.00 0.00 177.57 176.30 1sjq h ASN 70 N -0.74 -1.80 -0.83 0.57 -0.73 -0.01 0.40 115.58 112.44 1sjq h ASN 70 Ca -0.00 0.25 0.08 0.00 1.87 0.00 0.00 56.30 58.50 1sjq h ASN 70 Cb 0.77 0.76 -0.07 0.00 0.27 0.00 0.00 38.32 40.05 1sjq h ASN 70 CO 0.00 -0.30 0.49 0.22 -0.37 0.00 0.00 177.43 177.47 1sjq h TYR 71 N -0.21 0.89 0.00 0.67 3.20 -1.17 0.23 116.97 120.57 1sjq h TYR 71 Ca 0.10 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1sjq h TYR 71 Cb 0.47 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.46 1sjq h TYR 71 CO -0.84 0.40 0.00 0.66 -1.64 0.00 0.00 178.16 176.74 1sjq n TYR 72 N -4.70 0.00 -0.17 -3.82 4.01 0.23 -3.62 117.16 109.09 1sjq n TYR 72 Ca 0.13 0.00 0.29 0.00 -0.16 0.00 0.00 57.90 58.16 1sjq n TYR 72 Cb 0.24 0.00 0.72 0.00 -0.31 0.00 0.00 39.34 39.99 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 0.00 0.46 0.00 -0.72 2.02 0.31 -3.30 112.91 111.67 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 0.00 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 1sjq h THR 73 CO 0.00 0.00 -0.25 -0.24 0.37 0.00 0.00 175.52 175.40 1sjq n SER 74 N -4.10 0.70 -4.68 4.18 2.88 -1.24 -5.03 113.62 106.33 1sjq n SER 74 Ca 0.19 0.13 -0.42 0.00 -1.33 0.00 0.00 58.87 57.43 1sjq n SER 74 Cb 1.00 -0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 64.26 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 -2.00 4.78 -0.03 2.46 1.01 -1.24 -5.04 120.40 120.33 1sjq s VAL 75 Ca 0.00 2.02 -0.02 0.00 0.00 0.00 0.00 61.98 63.97 1sjq s VAL 75 Cb 0.00 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1sjq s VAL 75 CO 0.00 -0.02 0.12 -0.89 0.00 0.00 0.00 175.10 174.31 1sjq s THR 76 N 2.16 5.06 -0.08 3.92 2.01 -1.26 -4.12 115.64 123.32 1sjq s THR 76 Ca 0.47 -0.20 -0.14 0.00 0.31 0.00 0.00 61.69 62.12 1sjq s THR 76 Cb -0.18 -3.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.99 1sjq s THR 76 CO 0.16 0.41 0.36 -2.16 -0.69 0.00 0.00 174.62 172.70 1sjq s PRO 77 N -1.60 4.06 0.52 4.92 0.04 -1.25 -4.92 135.00 136.76 1sjq s PRO 77 Ca 0.22 0.27 0.04 0.00 0.04 0.00 0.00 61.00 61.57 1sjq s PRO 77 Cb -0.12 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.10 1sjq s PRO 77 CO 0.13 0.46 0.21 0.14 0.04 0.00 0.00 177.00 177.97 1sjq s VAL 78 N -0.27 1.50 -0.18 -0.36 -7.23 -1.26 0.14 120.40 112.73 1sjq s VAL 78 Ca 0.21 -1.73 -0.02 0.00 -1.81 0.00 0.00 61.98 58.63 1sjq s VAL 78 Cb -0.15 -2.23 0.05 0.00 0.56 0.00 0.00 36.38 34.62 1sjq s VAL 78 CO 0.09 0.00 -0.00 -0.76 -0.31 0.00 0.00 175.10 174.12 1sjq s LEU 79 N -4.07 1.42 -0.69 1.32 2.01 0.33 -4.77 118.68 114.23 1sjq s LEU 79 Ca 0.22 -0.74 0.00 0.00 0.01 0.00 0.00 54.13 53.62 1sjq s LEU 79 Cb -0.00 -0.74 0.00 0.00 0.01 0.00 0.00 46.19 45.46 1sjq s LEU 79 CO 0.13 -0.25 0.00 0.54 1.01 0.00 0.00 176.35 177.78 1sjq n ARG 80 N 4.96 -1.63 0.00 1.70 1.74 -1.26 0.11 116.66 122.28 1sjq n ARG 80 Ca -0.10 0.38 0.00 0.00 -0.77 0.00 0.00 57.85 57.36 1sjq n ARG 80 Cb 0.47 -4.66 0.00 0.00 -1.02 0.00 0.00 32.46 27.26 1sjq n ARG 80 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sjq n GLY 81 N -0.31 1.26 3.05 -0.13 0.00 -1.26 -5.08 105.19 102.72 1sjq n GLY 81 Ca -0.07 0.00 -0.33 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 -0.40 1.83 -0.09 1.61 2.00 0.30 -5.08 119.66 119.83 1sjq s GLN 82 Ca 0.00 -2.03 -0.31 0.00 -2.00 0.00 0.00 55.36 51.01 1sjq s GLN 82 Cb 0.00 -3.40 -0.09 0.00 0.80 0.00 0.00 33.01 30.32 1sjq s GLN 82 CO 0.00 -1.03 2.02 -2.30 -0.50 0.00 0.00 175.29 173.48 1sjq n PRO 83 N 4.12 2.31 -4.02 1.67 -0.02 -1.26 0.12 135.00 137.93 1sjq n PRO 83 Ca 0.02 0.80 -0.33 0.00 -2.02 0.00 0.00 63.50 61.98 1sjq n PRO 83 Cb 0.40 -2.90 -0.15 0.00 -0.02 0.00 0.00 33.50 30.83 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 5.40 2.40 0.55 4.25 -4.36 0.36 -4.71 121.20 125.09 1sjq s ILE 84 Ca 0.94 -1.74 -0.20 0.00 -0.26 0.00 0.00 60.65 59.39 1sjq s ILE 84 Cb -0.53 -2.48 -0.05 0.00 1.25 0.00 0.00 42.46 40.65 1sjq s ILE 84 CO 0.44 -0.18 1.23 -0.31 0.24 0.00 0.00 174.94 176.36 1sjq s TYR 85 N 1.10 2.49 -0.29 1.37 2.02 0.09 -3.95 117.35 120.18 1sjq s TYR 85 Ca -0.04 1.49 0.01 0.00 -0.37 0.00 0.00 57.07 58.16 1sjq s TYR 85 Cb -0.20 -3.52 0.08 0.00 -0.40 0.00 0.00 41.96 37.92 1sjq s TYR 85 CO -0.05 -2.18 0.03 0.42 -1.57 0.00 0.00 175.55 172.20 1sjq s ILE 86 N -1.52 1.52 0.42 2.71 1.01 -1.26 0.56 121.20 124.63 1sjq s ILE 86 Ca 0.73 -1.59 0.07 0.00 0.00 0.00 0.00 60.65 59.86 1sjq s ILE 86 Cb -0.32 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 1sjq s ILE 86 CO 0.36 -0.43 0.22 -1.10 0.00 0.00 0.00 174.94 173.99 1sjq s GLN 87 N 1.33 2.28 0.72 2.79 -0.21 0.24 -4.43 119.66 122.37 1sjq s GLN 87 Ca 0.04 -1.82 -0.12 0.00 0.02 0.00 0.00 55.36 53.48 1sjq s GLN 87 Cb -0.18 -2.04 0.18 0.00 1.00 0.00 0.00 33.01 31.96 1sjq s GLN 87 CO -0.13 -0.17 0.68 1.19 -2.12 0.00 0.00 175.29 174.74 1sjq n PHE 88 N -1.32 -3.60 -2.81 0.91 3.72 -1.26 0.25 117.46 113.36 1sjq n PHE 88 Ca -0.01 -0.61 -0.20 0.00 -0.05 0.00 0.00 57.45 56.58 1sjq n PHE 88 Cb 0.64 -0.68 0.05 0.00 -0.94 0.00 0.00 39.48 38.56 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 -3.37 5.08 -0.12 4.37 0.15 0.10 -1.68 113.70 118.22 1sjq s SER 89 Ca 0.43 -0.40 0.15 0.00 0.70 0.00 0.00 55.95 56.83 1sjq s SER 89 Cb -0.04 -0.32 0.36 0.00 -1.71 0.00 0.00 66.02 64.31 1sjq s SER 89 CO 0.33 -1.29 1.17 -3.20 1.20 0.00 0.00 173.24 171.45 1sjq n ASN 90 N -2.33 1.48 -3.48 5.45 5.15 -1.26 -4.93 115.26 115.35 1sjq n ASN 90 Ca 0.12 -3.11 -0.12 0.00 -0.60 0.00 0.00 54.58 50.87 1sjq n ASN 90 Cb 0.60 -0.42 -0.03 0.00 -0.53 0.00 0.00 39.78 39.40 1sjq n ASN 90 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1sjq s HIS 91 N -2.06 -0.47 0.00 1.20 3.76 -1.26 -5.11 115.29 111.36 1sjq s HIS 91 Ca 0.32 0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.50 1sjq s HIS 91 Cb 0.33 0.48 0.00 0.00 1.11 0.00 0.00 32.58 34.49 1sjq s HIS 91 CO -0.07 -0.80 0.06 0.36 -0.85 0.00 0.00 174.74 173.44 1sjq n LYS 92 N -0.26 0.00 -4.24 1.40 2.85 -1.26 -4.83 118.16 111.82 1sjq n LYS 92 Ca -0.17 0.06 -0.13 0.00 -1.05 0.00 0.00 58.31 57.02 1sjq n LYS 92 Cb 0.64 -0.53 -0.10 0.00 -0.65 0.00 0.00 35.03 34.39 1sjq n LYS 92 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1sjq s GLU 93 N -0.14 1.11 -0.09 -1.58 2.02 -1.26 -4.61 118.70 114.15 1sjq s GLU 93 Ca 0.00 -1.54 -0.30 0.00 0.02 0.00 0.00 54.97 53.16 1sjq s GLU 93 Cb 0.00 -0.24 -0.03 0.00 0.10 0.00 0.00 34.13 33.96 1sjq s GLU 93 CO 0.00 -0.14 1.26 -1.17 0.02 0.00 0.00 175.26 175.22 1sjq s LEU 94 N -3.17 4.25 -0.06 1.80 2.96 -1.26 -5.01 118.68 118.19 1sjq s LEU 94 Ca 0.24 1.82 -0.21 0.00 -0.22 0.00 0.00 54.13 55.76 1sjq s LEU 94 Cb 0.06 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 43.16 1sjq s LEU 94 CO 0.04 -0.67 0.61 -0.54 -1.32 0.00 0.00 176.35 174.48 1sjq s LYS 95 N 2.72 4.38 -0.78 1.98 -0.14 -1.26 -5.01 119.74 121.63 1sjq s LYS 95 Ca 0.57 0.72 -0.23 0.00 -1.36 0.00 0.00 55.97 55.67 1sjq s LYS 95 Cb -0.25 -3.42 0.06 0.00 -1.68 0.00 0.00 37.83 32.55 1sjq s LYS 95 CO 0.20 0.17 1.16 0.95 -0.76 0.00 0.00 175.35 177.07 1sjq s THR 96 N 0.48 4.14 0.00 2.17 -4.23 -1.26 -4.88 115.64 112.06 1sjq s THR 96 Ca 0.33 -0.37 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 1sjq s THR 96 Cb -0.17 -4.83 0.00 0.00 1.34 0.00 0.00 72.50 68.84 1sjq s THR 96 CO 0.16 -1.66 0.00 -0.67 -0.54 0.00 0.00 174.62 171.91 1sjq n ASP 97 N 8.22 0.00 -2.24 3.99 2.03 -1.26 -1.07 116.55 126.22 1sjq n ASP 97 Ca 0.08 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.36 1sjq n ASP 97 Cb 0.48 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.95 1sjq n ASP 97 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1sjq n SER 98 N 1.30 -1.04 0.00 1.67 3.41 -1.26 -5.29 113.62 112.40 1sjq n SER 98 Ca 0.00 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1sjq n SER 98 Cb 0.00 0.47 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1sjq n SER 98 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34