#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwd n VAL 4 N 0.00 3.37 -1.22 2.12 0.31 -1.26 -4.91 118.33 116.75 1xwd n VAL 4 Ca 0.00 -3.07 -0.29 0.00 -0.01 0.00 0.00 64.34 60.97 1xwd n VAL 4 Cb 0.00 -2.53 0.14 0.00 -0.91 0.00 0.00 33.84 30.54 1xwd n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xwd s GLN 5 N 3.60 1.11 -0.16 5.55 -2.07 -1.26 -4.96 119.66 121.47 1xwd s GLN 5 Ca 0.50 0.74 -0.14 0.00 -1.82 0.00 0.00 55.36 54.63 1xwd s GLN 5 Cb 0.12 -1.80 -0.05 0.00 -1.09 0.00 0.00 33.01 30.20 1xwd s GLN 5 CO -0.04 -2.32 0.31 -0.51 -1.32 0.00 0.00 175.29 171.42 1xwd s ASP 6 N -3.46 6.45 -0.29 12.60 1.11 -1.26 -4.97 116.67 126.85 1xwd s ASP 6 Ca 0.64 0.53 0.04 0.00 0.18 0.00 0.00 52.55 53.93 1xwd s ASP 6 Cb -0.18 -2.19 0.18 0.00 1.07 0.00 0.00 42.92 41.80 1xwd s ASP 6 CO 0.57 0.07 0.49 0.00 1.18 0.00 0.00 175.17 177.48 1xwd n PRO 8 N 5.38 2.45 -1.81 0.00 -0.02 -1.26 -4.72 135.00 135.03 1xwd n PRO 8 Ca 0.03 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 61.98 1xwd n PRO 8 Cb 0.51 -2.54 0.04 0.00 -0.02 0.00 0.00 33.50 31.50 1xwd n PRO 8 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xwd s GLU 9 N -1.82 3.17 -0.02 -0.52 2.12 -1.26 -0.34 118.70 120.03 1xwd s GLU 9 Ca 0.55 2.21 -0.33 0.00 0.36 0.00 0.00 54.97 57.77 1xwd s GLU 9 Cb -0.52 -2.26 -0.11 0.00 0.26 0.00 0.00 34.13 31.50 1xwd s GLU 9 CO 0.61 -1.16 1.88 0.00 -0.54 0.00 0.00 175.26 176.06 1xwd s THR 11 N 3.86 0.00 0.23 0.00 2.01 -0.86 -4.88 115.64 116.00 1xwd s THR 11 Ca 0.90 -1.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 1xwd s THR 11 Cb -0.60 -2.65 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 1xwd s THR 11 CO 0.47 0.00 1.02 -0.76 -0.69 0.00 0.00 174.62 174.66 1xwd s LEU 12 N -3.05 4.58 0.07 4.42 1.43 -1.26 -2.39 118.68 122.47 1xwd s LEU 12 Ca 0.16 2.06 -0.01 0.00 -1.03 0.00 0.00 54.13 55.31 1xwd s LEU 12 Cb -0.05 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 1xwd s LEU 12 CO 0.11 -0.02 -0.01 -1.10 0.23 0.00 0.00 176.35 175.56 1xwd s GLN 13 N -1.02 0.68 0.03 1.70 -1.52 0.13 -4.90 119.66 114.76 1xwd s GLN 13 Ca 0.44 -1.25 -0.19 0.00 -1.95 0.00 0.00 55.36 52.41 1xwd s GLN 13 Cb -0.28 0.22 -0.06 0.00 -0.22 0.00 0.00 33.01 32.67 1xwd s GLN 13 CO 0.35 -0.14 0.57 -1.83 -0.25 0.00 0.00 175.29 173.98 1xwd s GLU 14 N -3.94 4.23 -0.31 2.91 -1.05 -1.26 0.14 118.70 119.42 1xwd s GLU 14 Ca 0.10 0.71 -0.29 0.00 -0.15 0.00 0.00 54.97 55.34 1xwd s GLU 14 Cb 0.08 -3.28 0.01 0.00 -0.44 0.00 0.00 34.13 30.49 1xwd s GLU 14 CO -0.08 0.53 1.19 1.21 0.95 0.00 0.00 175.26 179.06 1xwd s ASN 15 N -0.72 6.81 0.46 0.83 2.47 -0.38 -4.87 114.94 119.54 1xwd s ASN 15 Ca 0.29 1.14 0.14 0.00 0.42 0.00 0.00 52.86 54.85 1xwd s ASN 15 Cb -0.19 -2.54 1.04 0.00 -1.45 0.00 0.00 41.25 38.11 1xwd s ASN 15 CO 0.18 -0.97 2.02 -0.65 -3.72 0.00 0.00 177.10 173.96 1xwd h PRO 16 N 8.67 0.04 0.00 0.43 0.11 -1.94 -0.89 132.00 138.41 1xwd h PRO 16 Ca -0.23 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.68 1xwd h PRO 16 Cb 1.08 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1xwd h PRO 16 CO 1.03 0.16 -1.07 0.74 -0.21 0.00 0.00 178.00 178.65 1xwd h PHE 17 N 0.04 0.00 -0.00 0.65 -1.00 -1.98 -3.35 116.94 111.29 1xwd h PHE 17 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1xwd h PHE 17 Cb 0.24 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.80 1xwd h PHE 17 CO 0.00 0.79 -0.33 1.19 -1.61 0.00 0.00 178.31 178.35 1xwd n PHE 18 N -3.18 0.00 -2.39 -0.55 3.72 -1.16 -5.01 117.46 108.89 1xwd n PHE 18 Ca -0.04 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.00 1xwd n PHE 18 Cb 0.89 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.41 1xwd n PHE 18 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 1xwd s SER 19 N -1.64 6.26 0.07 4.37 0.01 -0.35 -4.58 113.70 117.84 1xwd s SER 19 Ca 0.06 2.13 0.03 0.00 1.31 0.00 0.00 55.95 59.48 1xwd s SER 19 Cb 0.08 -2.58 -0.03 0.00 0.21 0.00 0.00 66.02 63.69 1xwd s SER 19 CO 0.33 -0.85 -0.09 -1.10 0.41 0.00 0.00 173.24 171.95 1xwd s GLN 20 N -2.88 0.67 0.21 12.44 -0.21 -1.11 -4.98 119.66 123.80 1xwd s GLN 20 Ca 0.65 -0.96 -0.32 0.00 0.02 0.00 0.00 55.36 54.75 1xwd s GLN 20 Cb -0.23 -0.36 -0.12 0.00 1.00 0.00 0.00 33.01 33.29 1xwd s GLN 20 CO 0.28 0.05 1.69 -2.14 -2.12 0.00 0.00 175.29 173.05 1xwd s PRO 21 N -2.27 4.13 0.00 2.91 0.02 -1.26 -1.39 135.00 137.14 1xwd s PRO 21 Ca -0.02 2.58 0.00 0.00 0.02 0.00 0.00 61.00 63.58 1xwd s PRO 21 Cb -0.06 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.39 1xwd s PRO 21 CO -0.01 -0.72 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 1xwd n GLY 22 N 3.72 2.92 2.44 0.52 0.00 -1.26 -4.91 105.19 108.62 1xwd n GLY 22 Ca 0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1xwd n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwd s ALA 23 N -1.52 1.03 0.35 4.61 0.00 -0.49 -5.13 121.76 120.61 1xwd s ALA 23 Ca 0.00 -2.20 -0.16 0.00 0.00 0.00 0.00 51.96 49.60 1xwd s ALA 23 Cb 0.00 -1.69 -0.09 0.00 0.00 0.00 0.00 23.12 21.34 1xwd s ALA 23 CO 0.00 -2.01 0.78 -1.25 0.00 0.00 0.00 175.76 173.28 1xwd s PRO 24 N 0.27 4.04 -0.09 0.00 0.04 -1.21 -2.76 135.00 135.28 1xwd s PRO 24 Ca 0.31 0.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 1xwd s PRO 24 Cb 0.00 -2.37 -0.03 0.00 0.04 0.00 0.00 34.50 32.14 1xwd s PRO 24 CO -0.16 0.10 -0.02 0.96 0.04 0.00 0.00 177.00 177.92 1xwd s ILE 25 N -2.05 4.12 0.25 0.56 -4.36 -1.26 -4.94 121.20 113.52 1xwd s ILE 25 Ca 0.56 -0.31 0.07 0.00 -0.26 0.00 0.00 60.65 60.71 1xwd s ILE 25 Cb -0.10 -2.73 -0.04 0.00 1.25 0.00 0.00 42.46 40.84 1xwd s ILE 25 CO 0.17 0.59 0.15 -0.76 0.24 0.00 0.00 174.94 175.33 1xwd s LEU 26 N -0.71 3.68 -0.08 0.37 1.02 -1.26 -1.25 118.68 120.45 1xwd s LEU 26 Ca 0.11 -0.33 -0.07 0.00 0.02 0.00 0.00 54.13 53.86 1xwd s LEU 26 Cb -0.12 -2.21 0.02 0.00 0.02 0.00 0.00 46.19 43.90 1xwd s LEU 26 CO 0.02 -0.02 0.20 -1.58 0.02 0.00 0.00 176.35 174.99 1xwd s GLN 27 N -3.76 0.23 -0.38 1.70 0.74 0.37 -2.38 119.66 116.18 1xwd s GLN 27 Ca 0.32 0.30 -0.28 0.00 0.05 0.00 0.00 55.36 55.75 1xwd s GLN 27 Cb -0.08 0.10 0.02 0.00 1.10 0.00 0.00 33.01 34.15 1xwd s GLN 27 CO 0.24 -0.04 1.06 0.00 -0.55 0.00 0.00 175.29 175.99 1xwd s MET 29 N 3.86 0.70 0.00 0.00 0.23 -1.01 -4.80 119.30 118.28 1xwd s MET 29 Ca 0.44 -0.88 0.00 0.00 -1.03 0.00 0.00 55.69 54.22 1xwd s MET 29 Cb -0.11 0.28 0.00 0.00 -1.53 0.00 0.00 34.83 33.47 1xwd s MET 29 CO 0.21 -0.19 0.00 0.41 -2.03 0.00 0.00 175.02 173.42 1xwd n GLY 30 N 0.34 0.60 3.18 3.16 0.00 -1.26 -2.03 105.19 109.18 1xwd n GLY 30 Ca -0.17 -1.69 -0.30 0.00 0.00 0.00 0.00 46.02 43.86 1xwd n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwd s PHE 33 N -2.46 3.59 0.27 0.00 5.36 -1.26 -4.94 117.98 118.54 1xwd s PHE 33 Ca 0.32 1.34 -0.17 0.00 -0.96 0.00 0.00 56.93 57.46 1xwd s PHE 33 Cb -0.04 -2.59 0.01 0.00 -0.34 0.00 0.00 43.02 40.07 1xwd s PHE 33 CO 0.18 0.30 0.61 -1.54 -1.46 0.00 0.00 175.22 173.31 1xwd s SER 34 N -1.77 -0.18 -0.16 6.13 1.04 -1.26 -3.14 113.70 114.35 1xwd s SER 34 Ca 0.45 -0.75 -0.31 0.00 0.48 0.00 0.00 55.95 55.81 1xwd s SER 34 Cb -0.15 0.67 0.14 0.00 0.10 0.00 0.00 66.02 66.77 1xwd s SER 34 CO 0.20 -1.26 1.09 0.00 0.98 0.00 0.00 173.24 174.26 1xwd s ARG 35 N -3.96 0.48 0.12 4.02 1.70 0.02 -5.01 118.95 116.32 1xwd s ARG 35 Ca 0.16 -0.03 0.08 0.00 -0.47 0.00 0.00 55.73 55.47 1xwd s ARG 35 Cb -0.04 0.22 -0.04 0.00 -0.57 0.00 0.00 34.95 34.53 1xwd s ARG 35 CO 0.08 -0.18 -0.20 0.00 -1.08 0.00 0.00 175.30 173.92 1xwd s ALA 36 N -1.84 1.84 -0.09 7.88 0.00 -1.26 -0.97 121.76 127.32 1xwd s ALA 36 Ca 0.04 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.38 1xwd s ALA 36 Cb -0.01 -0.22 0.12 0.00 0.00 0.00 0.00 23.12 23.02 1xwd s ALA 36 CO -0.04 0.31 1.00 1.52 0.00 0.00 0.00 175.76 178.55 1xwd s TYR 37 N -1.48 -0.30 0.11 0.00 -0.85 0.25 -5.00 117.35 110.08 1xwd s TYR 37 Ca 0.09 0.30 -0.35 0.00 -0.52 0.00 0.00 57.07 56.60 1xwd s TYR 37 Cb -0.08 0.51 -0.14 0.00 0.38 0.00 0.00 41.96 42.62 1xwd s TYR 37 CO 0.05 -0.41 1.56 -2.30 -1.52 0.00 0.00 175.55 172.94 1xwd n PRO 38 N 0.08 1.91 -1.71 -3.49 -0.02 -1.26 -0.45 135.00 130.07 1xwd n PRO 38 Ca -0.07 0.69 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 1xwd n PRO 38 Cb 0.60 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 1xwd n PRO 38 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1xwd s THR 39 N 1.22 2.94 0.15 3.45 2.01 -0.59 -4.71 115.64 120.11 1xwd s THR 39 Ca 0.82 0.08 -0.34 0.00 0.31 0.00 0.00 61.69 62.56 1xwd s THR 39 Cb -0.75 -3.05 -0.15 0.00 0.01 0.00 0.00 72.50 68.56 1xwd s THR 39 CO 0.42 -0.01 1.41 -2.65 -0.69 0.00 0.00 174.62 173.10 1xwd n PRO 40 N 7.06 1.65 -0.34 4.92 -0.02 -1.26 -4.84 135.00 142.16 1xwd n PRO 40 Ca 0.19 0.59 0.21 0.00 -2.02 0.00 0.00 63.50 62.47 1xwd n PRO 40 Cb 0.40 -2.26 0.44 0.00 -0.02 0.00 0.00 33.50 32.06 1xwd n PRO 40 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xwd h LEU 41 N 4.82 0.59 -1.36 2.45 4.07 -2.01 0.39 115.31 124.25 1xwd h LEU 41 Ca -0.46 0.15 -0.01 0.00 0.08 0.00 0.00 57.88 57.65 1xwd h LEU 41 Cb 1.30 0.07 -0.03 0.00 1.08 0.00 0.00 40.66 43.08 1xwd h LEU 41 CO 0.80 0.01 0.32 -0.09 -1.08 0.00 0.00 178.44 178.41 1xwd h ARG 42 N 0.46 0.76 -0.29 1.13 9.65 -2.02 -2.52 114.38 121.55 1xwd h ARG 42 Ca 0.68 -0.07 -0.05 0.00 -1.10 0.00 0.00 59.98 59.44 1xwd h ARG 42 Cb 1.44 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 1xwd h ARG 42 CO -0.50 0.54 -0.01 0.77 2.80 0.00 0.00 179.97 183.57 1xwd h SER 43 N 0.77 0.51 0.00 -3.80 0.02 -0.58 -2.77 113.55 107.70 1xwd h SER 43 Ca 0.20 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1xwd h SER 43 Cb -0.01 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.39 1xwd h SER 43 CO -0.04 0.70 0.24 0.11 -1.14 0.00 0.00 176.83 176.71 1xwd h LYS 44 N 0.31 0.00 0.00 3.45 1.57 -1.15 0.47 116.57 121.22 1xwd h LYS 44 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1xwd h LYS 44 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1xwd h LYS 44 CO 0.02 0.00 -0.45 0.87 -0.57 0.00 0.00 179.45 179.32 1xwd h LYS 45 N 0.00 0.00 -0.04 3.15 1.57 -1.54 -3.22 116.57 116.50 1xwd h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xwd h LYS 45 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1xwd h LYS 45 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.13 1xwd n THR 46 N -2.34 0.02 -4.42 -0.16 -2.24 0.17 -4.90 114.28 100.41 1xwd n THR 46 Ca 0.03 -0.32 -0.26 0.00 -2.27 0.00 0.00 64.05 61.23 1xwd n THR 46 Cb 0.46 0.71 -0.17 0.00 -2.10 0.00 0.00 70.33 69.24 1xwd n THR 46 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwd s MET 47 N -1.98 1.85 0.45 -0.78 0.23 -1.22 -5.00 119.30 112.85 1xwd s MET 47 Ca 0.36 -0.43 0.20 0.00 -1.03 0.00 0.00 55.69 54.78 1xwd s MET 47 Cb 0.21 -1.60 1.07 0.00 -1.53 0.00 0.00 34.83 32.97 1xwd s MET 47 CO 0.32 -0.06 1.94 -0.07 -2.03 0.00 0.00 175.02 175.13 1xwd h LEU 48 N 7.34 0.00 -8.10 0.18 3.38 -1.90 -3.40 115.31 112.80 1xwd h LEU 48 Ca -0.31 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 56.99 1xwd h LEU 48 Cb 1.17 0.00 -0.32 0.00 0.09 0.00 0.00 40.66 41.60 1xwd h LEU 48 CO 0.47 0.23 -0.71 -0.69 0.09 0.00 0.00 178.44 177.82 1xwd s VAL 49 N -4.17 3.01 -0.13 1.22 1.01 -1.26 -5.09 120.40 114.99 1xwd s VAL 49 Ca -0.02 -1.20 -0.29 0.00 0.00 0.00 0.00 61.98 60.47 1xwd s VAL 49 Cb 0.13 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 1xwd s VAL 49 CO 0.65 0.03 1.40 -1.10 0.00 0.00 0.00 175.10 176.08 1xwd s GLN 50 N 1.30 4.20 -0.28 2.72 -1.52 -1.26 -5.02 119.66 119.80 1xwd s GLN 50 Ca -0.03 1.83 0.03 0.00 -1.95 0.00 0.00 55.36 55.25 1xwd s GLN 50 Cb -0.18 -3.85 0.07 0.00 -0.22 0.00 0.00 33.01 28.83 1xwd s GLN 50 CO -0.02 -0.77 -0.08 0.15 -0.25 0.00 0.00 175.29 174.32 1xwd s LYS 51 N 3.72 2.10 0.46 2.91 -0.14 -1.26 -4.99 119.74 122.53 1xwd s LYS 51 Ca 0.61 -1.45 0.31 0.00 -1.36 0.00 0.00 55.97 54.09 1xwd s LYS 51 Cb -0.26 -2.95 1.58 0.00 -1.68 0.00 0.00 37.83 34.52 1xwd s LYS 51 CO 0.20 -0.64 1.95 -0.91 -0.76 0.00 0.00 175.35 175.19 1xwd h ASN 52 N 7.74 0.00 -4.44 2.83 2.35 -1.95 -3.41 115.58 118.70 1xwd h ASN 52 Ca -0.16 0.00 -0.62 0.00 -0.55 0.00 0.00 56.30 54.97 1xwd h ASN 52 Cb 1.04 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.11 1xwd h ASN 52 CO 0.47 0.00 -0.86 -0.69 -1.65 0.00 0.00 177.43 174.70 1xwd s VAL 53 N -3.72 1.72 -0.04 2.81 1.01 -1.26 -1.55 120.40 119.36 1xwd s VAL 53 Ca -0.02 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.06 1xwd s VAL 53 Cb 0.09 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1xwd s VAL 53 CO 0.35 0.46 -0.22 -0.89 0.00 0.00 0.00 175.10 174.79 1xwd s THR 54 N -0.54 2.36 -0.07 3.92 2.01 0.40 -4.71 115.64 119.01 1xwd s THR 54 Ca 0.08 -0.98 0.03 0.00 0.31 0.00 0.00 61.69 61.14 1xwd s THR 54 Cb -0.08 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.57 1xwd s THR 54 CO -0.01 0.58 -0.15 -0.55 -0.69 0.00 0.00 174.62 173.80 1xwd s SER 55 N -0.45 2.11 -0.08 3.53 0.15 -1.26 -0.58 113.70 117.11 1xwd s SER 55 Ca 0.05 -0.36 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1xwd s SER 55 Cb -0.12 -0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 63.26 1xwd s SER 55 CO 0.01 0.08 -0.12 -1.61 1.20 0.00 0.00 173.24 172.80 1xwd s GLU 56 N 0.50 2.89 0.01 5.44 2.02 -0.14 -5.01 118.70 124.40 1xwd s GLU 56 Ca -0.14 -0.66 -0.13 0.00 0.02 0.00 0.00 54.97 54.06 1xwd s GLU 56 Cb -0.16 -2.52 0.02 0.00 0.10 0.00 0.00 34.13 31.57 1xwd s GLU 56 CO 0.05 0.48 0.27 -1.54 0.02 0.00 0.00 175.26 174.54 1xwd s SER 57 N -0.34 -0.12 0.10 -0.19 1.04 -1.26 -0.80 113.70 112.11 1xwd s SER 57 Ca 0.04 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.47 1xwd s SER 57 Cb -0.13 0.30 -0.03 0.00 0.10 0.00 0.00 66.02 66.26 1xwd s SER 57 CO 0.02 -0.48 -0.15 0.28 0.98 0.00 0.00 173.24 173.89 1xwd s THR 58 N -1.72 1.32 0.11 2.02 -1.32 -1.19 -4.43 115.64 110.43 1xwd s THR 58 Ca -0.11 -1.51 0.08 0.00 -1.21 0.00 0.00 61.69 58.94 1xwd s THR 58 Cb -0.04 -1.35 -0.04 0.00 -1.51 0.00 0.00 72.50 69.57 1xwd s THR 58 CO 0.01 -0.27 -0.20 0.00 -2.21 0.00 0.00 174.62 171.96 1xwd s VAL 61 N 5.48 0.02 -0.35 0.00 -7.23 -0.47 -4.83 120.40 113.03 1xwd s VAL 61 Ca 0.58 -1.94 -0.27 0.00 -1.81 0.00 0.00 61.98 58.54 1xwd s VAL 61 Cb -0.12 -2.37 0.02 0.00 0.56 0.00 0.00 36.38 34.46 1xwd s VAL 61 CO 0.31 -0.11 0.97 0.00 -0.31 0.00 0.00 175.10 175.96 1xwd s ALA 62 N -4.13 3.43 0.18 1.32 0.00 -1.26 -1.53 121.76 119.78 1xwd s ALA 62 Ca 0.35 -0.32 0.13 0.00 0.00 0.00 0.00 51.96 52.12 1xwd s ALA 62 Cb 0.07 -3.58 0.37 0.00 0.00 0.00 0.00 23.12 19.97 1xwd s ALA 62 CO 0.09 -1.57 1.60 -0.22 0.00 0.00 0.00 175.76 175.66 1xwd h LYS 63 N 8.36 0.00 -2.14 0.00 3.64 0.98 -3.46 116.57 123.95 1xwd h LYS 63 Ca -0.22 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.10 1xwd h LYS 63 Cb 1.07 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.68 1xwd h LYS 63 CO 1.00 0.58 0.08 -1.54 -2.27 0.00 0.00 179.45 177.29 1xwd s SER 64 N -6.66 -0.66 0.22 4.20 1.04 -1.18 -4.95 113.70 105.71 1xwd s SER 64 Ca -0.00 1.13 -0.12 0.00 0.48 0.00 0.00 55.95 57.44 1xwd s SER 64 Cb 0.11 1.11 -0.00 0.00 0.10 0.00 0.00 66.02 67.34 1xwd s SER 64 CO 0.74 -0.33 0.41 -0.72 0.98 0.00 0.00 173.24 174.32 1xwd s TYR 65 N -0.10 0.38 -0.03 5.02 1.13 -1.26 -0.37 117.35 122.12 1xwd s TYR 65 Ca -0.03 -0.73 0.06 0.00 -1.41 0.00 0.00 57.07 54.95 1xwd s TYR 65 Cb -0.03 0.10 -0.01 0.00 -1.10 0.00 0.00 41.96 40.91 1xwd s TYR 65 CO 0.03 -0.90 -0.20 -0.80 -2.51 0.00 0.00 175.55 171.18 1xwd s ASN 66 N -3.00 2.35 -0.75 -0.18 0.01 -0.58 -4.92 114.94 107.88 1xwd s ASN 66 Ca 0.21 -0.37 -0.16 0.00 -0.71 0.00 0.00 52.86 51.83 1xwd s ASN 66 Cb 0.01 -0.39 0.17 0.00 0.41 0.00 0.00 41.25 41.45 1xwd s ASN 66 CO 0.06 0.22 0.77 -0.13 -1.51 0.00 0.00 177.10 176.51 1xwd s ARG 67 N -0.32 3.40 0.24 -0.60 0.52 -1.26 0.18 118.95 121.10 1xwd s ARG 67 Ca 0.04 -2.01 0.06 0.00 -0.52 0.00 0.00 55.73 53.30 1xwd s ARG 67 Cb -0.09 -4.46 -0.04 0.00 0.52 0.00 0.00 34.95 30.89 1xwd s ARG 67 CO 0.00 -1.42 0.21 0.14 0.02 0.00 0.00 175.30 174.25 1xwd s VAL 68 N 1.28 4.57 -0.10 3.52 -7.23 -0.36 -4.89 120.40 117.18 1xwd s VAL 68 Ca 0.17 -1.31 -0.04 0.00 -1.81 0.00 0.00 61.98 58.99 1xwd s VAL 68 Cb -0.15 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.30 1xwd s VAL 68 CO -0.04 -0.32 0.06 -0.89 -0.31 0.00 0.00 175.10 173.61 1xwd s THR 69 N -2.07 4.86 0.21 5.32 2.01 -1.26 -1.40 115.64 123.31 1xwd s THR 69 Ca 0.33 -0.04 0.07 0.00 0.31 0.00 0.00 61.69 62.36 1xwd s THR 69 Cb -0.08 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.29 1xwd s THR 69 CO 0.25 0.61 -0.11 0.68 -0.69 0.00 0.00 174.62 175.36 1xwd s VAL 70 N -0.91 1.56 0.00 3.82 -7.23 -1.04 -5.01 120.40 111.59 1xwd s VAL 70 Ca 0.14 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 58.15 1xwd s VAL 70 Cb -0.12 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.72 1xwd s VAL 70 CO 0.03 -0.55 0.00 0.23 -0.31 0.00 0.00 175.10 174.50 1xwd n MET 71 N -0.38 0.00 0.00 4.82 2.81 -1.26 -2.17 117.12 120.93 1xwd n MET 71 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1xwd n MET 71 Cb 0.61 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.12 1xwd n MET 71 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xwd n GLY 72 N 0.00 0.49 2.03 3.03 0.00 -1.26 -4.67 105.19 104.81 1xwd n GLY 72 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1xwd n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xwd n GLY 73 N 0.22 0.40 3.79 -0.02 0.00 -0.92 -5.04 105.19 103.61 1xwd n GLY 73 Ca 0.00 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 1xwd n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xwd s PHE 74 N -2.06 3.63 -0.10 1.61 0.40 -1.20 -4.99 117.98 115.26 1xwd s PHE 74 Ca 0.00 0.90 -0.17 0.00 -0.60 0.00 0.00 56.93 57.05 1xwd s PHE 74 Cb 0.00 -2.35 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1xwd s PHE 74 CO 0.00 0.47 0.45 0.21 0.70 0.00 0.00 175.22 177.05 1xwd s LYS 75 N -0.42 4.28 0.14 0.44 2.20 -1.26 -2.50 119.74 122.61 1xwd s LYS 75 Ca 0.23 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1xwd s LYS 75 Cb -0.16 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1xwd s LYS 75 CO 0.11 0.24 0.01 0.14 -0.36 0.00 0.00 175.35 175.49 1xwd s VAL 76 N 0.36 0.41 -0.15 4.02 -7.23 -0.50 -5.03 120.40 112.28 1xwd s VAL 76 Ca 0.25 -1.93 -0.13 0.00 -1.81 0.00 0.00 61.98 58.36 1xwd s VAL 76 Cb -0.15 -1.99 -0.05 0.00 0.56 0.00 0.00 36.38 34.76 1xwd s VAL 76 CO 0.10 -0.57 0.27 -1.61 -0.31 0.00 0.00 175.10 172.99 1xwd s GLU 77 N -3.96 4.19 -0.58 4.82 2.02 -1.26 -1.23 118.70 122.70 1xwd s GLU 77 Ca 0.21 0.07 -0.11 0.00 0.02 0.00 0.00 54.97 55.16 1xwd s GLU 77 Cb 0.07 -3.40 0.15 0.00 0.10 0.00 0.00 34.13 31.04 1xwd s GLU 77 CO 0.01 0.30 0.49 1.21 0.02 0.00 0.00 175.26 177.28 1xwd s ASN 78 N 0.29 6.01 0.28 -0.19 2.47 0.46 -4.73 114.94 119.53 1xwd s ASN 78 Ca 0.16 -2.15 -0.30 0.00 0.42 0.00 0.00 52.86 50.99 1xwd s ASN 78 Cb -0.13 -2.09 -0.11 0.00 -1.45 0.00 0.00 41.25 37.47 1xwd s ASN 78 CO 0.04 -0.68 1.51 -1.00 -3.72 0.00 0.00 177.10 173.25 1xwd s HIS 79 N 1.02 2.87 -0.02 0.43 3.76 -1.00 -1.52 115.29 120.82 1xwd s HIS 79 Ca 0.09 0.94 0.08 0.00 -0.15 0.00 0.00 55.06 56.02 1xwd s HIS 79 Cb -0.23 -3.94 -0.12 0.00 1.11 0.00 0.00 32.58 29.39 1xwd s HIS 79 CO -0.02 -3.08 0.16 0.25 -0.85 0.00 0.00 174.74 171.21 1xwd n THR 80 N 2.07 0.04 -3.75 1.30 -2.24 0.50 -4.55 114.28 107.64 1xwd n THR 80 Ca 0.07 -0.19 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 1xwd n THR 80 Cb 0.39 0.23 -0.11 0.00 -2.10 0.00 0.00 70.33 68.74 1xwd n THR 80 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwd s ALA 81 N -2.53 -0.77 0.29 6.98 0.00 -1.04 -4.94 121.76 119.76 1xwd s ALA 81 Ca -0.03 0.98 0.09 0.00 0.00 0.00 0.00 51.96 52.99 1xwd s ALA 81 Cb 0.05 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1xwd s ALA 81 CO 0.33 -0.17 0.09 0.00 0.00 0.00 0.00 175.76 176.01 1xwd s HIS 83 N -2.33 -0.34 -0.28 0.00 -3.43 -0.58 -4.68 115.29 103.65 1xwd s HIS 83 Ca 0.34 0.33 -0.25 0.00 -0.80 0.00 0.00 55.06 54.68 1xwd s HIS 83 Cb -0.05 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.61 1xwd s HIS 83 CO 0.22 -0.47 0.87 0.00 -2.00 0.00 0.00 174.74 173.36 1xwd n SER 85 N 6.25 0.00 -4.75 0.00 2.88 0.23 -4.77 113.62 113.46 1xwd n SER 85 Ca 0.06 -0.09 -0.41 0.00 -1.33 0.00 0.00 58.87 57.10 1xwd n SER 85 Cb 0.48 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 1xwd n SER 85 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1xwd s THR 86 N -1.27 2.15 0.10 2.46 2.01 -1.26 0.25 115.64 120.09 1xwd s THR 86 Ca 0.00 0.13 -0.23 0.00 0.31 0.00 0.00 61.69 61.89 1xwd s THR 86 Cb 0.00 -3.08 -0.07 0.00 0.01 0.00 0.00 72.50 69.36 1xwd s THR 86 CO 0.00 0.02 0.71 0.00 -0.69 0.00 0.00 174.62 174.66 1xwd n TYR 88 N 1.98 0.00 -2.75 0.00 4.01 -1.26 -4.87 117.16 114.27 1xwd n TYR 88 Ca -0.06 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.51 1xwd n TYR 88 Cb 0.50 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1xwd n TYR 88 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1xwd n TYR 89 N -1.11 1.86 -0.47 -0.72 4.02 -1.26 -4.78 117.16 114.69 1xwd n TYR 89 Ca 0.01 -3.21 0.00 0.00 -0.01 0.00 0.00 57.90 54.69 1xwd n TYR 89 Cb 0.06 -0.32 0.00 0.00 -0.02 0.00 0.00 39.34 39.06 1xwd n TYR 89 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 1xwd n HIS 90 N -0.12 0.00 -2.37 -0.72 1.44 -1.26 -5.10 115.22 107.09 1xwd n HIS 90 Ca 0.22 -0.03 -0.27 0.00 -2.01 0.00 0.00 57.72 55.64 1xwd n HIS 90 Cb 0.70 -0.00 0.03 0.00 0.12 0.00 0.00 29.99 30.84 1xwd n HIS 90 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 1xwd s LYS 91 N -0.06 2.89 0.00 -1.40 1.02 -1.26 -5.23 119.74 115.69 1xwd s LYS 91 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 55.97 55.98 1xwd s LYS 91 Cb 0.00 -2.26 0.00 0.00 -0.52 0.00 0.00 37.83 35.05 1xwd s LYS 91 CO 0.00 -0.73 0.00 0.43 -0.92 0.00 0.00 175.35 174.13