#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwd n PRO 8 N 4.58 1.02 -4.47 0.00 -0.02 -1.26 -4.94 135.00 129.91 1xwd n PRO 8 Ca -0.16 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.11 1xwd n PRO 8 Cb 0.51 0.00 -0.15 0.00 -0.02 0.00 0.00 33.50 33.83 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 -0.49 0.98 -0.60 -0.52 2.12 -1.26 -4.08 118.70 114.85 1xwd s GLU 9 Ca 0.00 -0.37 -0.26 0.00 0.36 0.00 0.00 54.97 54.70 1xwd s GLU 9 Cb 0.00 -0.93 -0.09 0.00 0.26 0.00 0.00 34.13 33.38 1xwd s GLU 9 CO 0.00 0.19 2.38 0.00 -0.54 0.00 0.00 175.26 177.29 1xwd n THR 11 N 8.21 0.00 -2.45 0.00 -1.04 -0.44 -4.88 114.28 113.68 1xwd n THR 11 Ca 0.39 -2.36 -0.37 0.00 -2.04 0.00 0.00 64.05 59.67 1xwd n THR 11 Cb 0.51 1.22 -0.03 0.00 -1.82 0.00 0.00 70.33 70.21 1xwd n THR 11 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1xwd s LEU 12 N 0.00 4.09 -0.02 -4.42 1.43 -1.26 -1.81 118.68 116.69 1xwd s LEU 12 Ca 0.39 2.13 -0.18 0.00 -1.03 0.00 0.00 54.13 55.44 1xwd s LEU 12 Cb 0.01 -4.21 0.03 0.00 0.03 0.00 0.00 46.19 42.05 1xwd s LEU 12 CO 0.27 -0.64 0.38 -1.10 0.23 0.00 0.00 176.35 175.49 1xwd s GLN 13 N -2.58 0.75 0.19 1.70 -1.52 -0.90 -4.91 119.66 112.39 1xwd s GLN 13 Ca 0.60 -0.13 -0.30 0.00 -1.95 0.00 0.00 55.36 53.58 1xwd s GLN 13 Cb -0.24 0.34 -0.08 0.00 -0.22 0.00 0.00 33.01 32.81 1xwd s GLN 13 CO 0.30 -0.22 1.03 -2.00 -0.25 0.00 0.00 175.29 174.16 1xwd s GLU 14 N -1.38 4.68 -0.41 2.91 2.12 -1.26 -0.11 118.70 125.25 1xwd s GLU 14 Ca -0.13 1.62 -0.12 0.00 0.36 0.00 0.00 54.97 56.71 1xwd s GLU 14 Cb -0.04 -3.29 0.05 0.00 0.26 0.00 0.00 34.13 31.12 1xwd s GLU 14 CO 0.05 0.23 0.27 1.21 -0.54 0.00 0.00 175.26 176.47 1xwd s ASN 15 N -0.43 5.81 0.54 -1.70 3.04 -0.86 -4.86 114.94 116.48 1xwd s ASN 15 Ca 0.46 -1.23 0.22 0.00 0.04 0.00 0.00 52.86 52.35 1xwd s ASN 15 Cb -0.28 -2.05 1.47 0.00 -1.54 0.00 0.00 41.25 38.85 1xwd s ASN 15 CO 0.34 -0.49 2.18 -0.65 -3.04 0.00 0.00 177.10 175.43 1xwd h PRO 16 N 8.50 0.00 0.00 0.43 0.11 -1.90 0.18 132.00 139.32 1xwd h PRO 16 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1xwd h PRO 16 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xwd h PRO 16 CO 0.74 0.02 0.00 1.19 -0.21 0.00 0.00 178.00 179.74 1xwd n PHE 17 N -4.23 0.67 0.00 0.65 3.01 -1.26 -3.85 117.46 112.45 1xwd n PHE 17 Ca -0.03 0.23 0.00 0.00 1.01 0.00 0.00 57.45 58.66 1xwd n PHE 17 Cb 0.10 -0.88 0.00 0.00 -0.01 0.00 0.00 39.48 38.70 1xwd n PHE 17 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1xwd n PHE 18 N -2.08 0.00 -1.62 1.38 3.72 -0.94 -5.09 117.46 112.83 1xwd n PHE 18 Ca 0.04 0.00 -0.32 0.00 -0.05 0.00 0.00 57.45 57.12 1xwd n PHE 18 Cb 0.30 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.90 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 -0.90 5.01 0.07 4.37 0.01 0.60 -4.66 113.70 118.19 1xwd s SER 19 Ca 0.00 1.90 -0.08 0.00 1.31 0.00 0.00 55.95 59.08 1xwd s SER 19 Cb 0.00 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.69 1xwd s SER 19 CO 0.00 -1.69 0.16 -1.10 0.41 0.00 0.00 173.24 171.02 1xwd s GLN 20 N -4.41 0.76 0.22 12.44 -0.21 -1.01 -4.90 119.66 122.55 1xwd s GLN 20 Ca 0.64 -0.87 -0.10 0.00 0.02 0.00 0.00 55.36 55.04 1xwd s GLN 20 Cb -0.19 0.31 0.31 0.00 1.00 0.00 0.00 33.01 34.45 1xwd s GLN 20 CO 0.46 -0.22 1.65 -1.35 -2.12 0.00 0.00 175.29 173.71 1xwd h PRO 21 N 3.06 0.09 0.26 2.91 0.11 -2.01 -3.12 132.00 133.30 1xwd h PRO 21 Ca -0.33 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.76 1xwd h PRO 21 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xwd h PRO 21 CO 0.54 0.06 -0.12 0.78 -0.21 0.00 0.00 178.00 179.05 1xwd h GLY 22 N 0.10 -0.36 -7.52 -0.55 0.00 -2.03 -3.43 103.07 89.28 1xwd h GLY 22 Ca 0.34 0.13 -0.69 0.00 0.00 0.00 0.00 47.33 47.11 1xwd h GLY 22 CO -0.57 -0.13 -0.54 0.00 0.00 0.00 0.00 176.54 175.29 1xwd s ALA 23 N -3.50 3.21 0.52 3.60 0.00 -1.18 -5.10 121.76 119.31 1xwd s ALA 23 Ca -0.07 -2.72 -0.08 0.00 0.00 0.00 0.00 51.96 49.09 1xwd s ALA 23 Cb 0.00 -2.39 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 1xwd s ALA 23 CO 0.22 -1.86 0.88 -2.14 0.00 0.00 0.00 175.76 172.86 1xwd s PRO 24 N 0.80 3.60 -0.02 0.00 0.02 -1.19 -2.40 135.00 135.81 1xwd s PRO 24 Ca 0.11 0.45 0.03 0.00 0.02 0.00 0.00 61.00 61.61 1xwd s PRO 24 Cb -0.22 -2.26 -0.01 0.00 0.02 0.00 0.00 34.50 32.03 1xwd s PRO 24 CO -0.04 -0.32 -0.11 0.42 -0.33 0.00 0.00 177.00 176.61 1xwd s ILE 25 N -2.86 0.92 -0.07 2.83 1.01 -1.26 -4.89 121.20 116.89 1xwd s ILE 25 Ca 0.51 -0.48 0.01 0.00 0.00 0.00 0.00 60.65 60.69 1xwd s ILE 25 Cb -0.11 -0.78 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 1xwd s ILE 25 CO 0.46 0.27 -0.08 -0.76 0.00 0.00 0.00 174.94 174.83 1xwd s LEU 26 N -0.14 3.11 -0.09 2.97 1.02 -1.26 -2.02 118.68 122.27 1xwd s LEU 26 Ca 0.02 -0.05 0.03 0.00 0.02 0.00 0.00 54.13 54.15 1xwd s LEU 26 Cb -0.06 -1.67 0.01 0.00 0.02 0.00 0.00 46.19 44.49 1xwd s LEU 26 CO -0.00 0.36 -0.18 -1.58 0.02 0.00 0.00 176.35 174.96 1xwd s GLN 27 N -0.77 2.45 -0.30 1.70 0.74 0.84 -0.49 119.66 123.84 1xwd s GLN 27 Ca 0.12 -0.67 -0.28 0.00 0.05 0.00 0.00 55.36 54.58 1xwd s GLN 27 Cb -0.11 -1.93 -0.02 0.00 1.10 0.00 0.00 33.01 32.04 1xwd s GLN 27 CO 0.01 0.08 1.84 0.00 -0.55 0.00 0.00 175.29 176.68 1xwd s MET 29 N 5.66 0.77 0.00 0.00 0.23 -0.75 -4.79 119.30 120.42 1xwd s MET 29 Ca 0.82 -0.59 0.00 0.00 -1.03 0.00 0.00 55.69 54.89 1xwd s MET 29 Cb -0.24 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.38 1xwd s MET 29 CO 0.34 -0.24 0.00 0.41 -2.03 0.00 0.00 175.02 173.50 1xwd n GLY 30 N 0.56 -0.04 3.19 3.16 0.00 -1.26 -1.33 105.19 109.46 1xwd n GLY 30 Ca -0.18 -0.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.74 3.43 -0.03 0.00 5.36 -1.26 -4.94 117.98 116.80 1xwd s PHE 33 Ca 0.16 1.29 -0.29 0.00 -0.96 0.00 0.00 56.93 57.12 1xwd s PHE 33 Cb 0.06 -2.58 0.09 0.00 -0.34 0.00 0.00 43.02 40.25 1xwd s PHE 33 CO -0.03 0.13 0.77 -1.54 -1.46 0.00 0.00 175.22 173.09 1xwd s SER 34 N -2.13 -0.53 0.20 6.13 1.04 -1.26 -2.87 113.70 114.28 1xwd s SER 34 Ca 0.52 0.39 -0.08 0.00 0.48 0.00 0.00 55.95 57.26 1xwd s SER 34 Cb -0.12 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 1xwd s SER 34 CO 0.18 -0.62 0.32 0.00 0.98 0.00 0.00 173.24 174.10 1xwd s ARG 35 N -1.99 1.32 -0.02 4.02 1.70 -0.35 -5.01 118.95 118.63 1xwd s ARG 35 Ca -0.04 -1.32 0.02 0.00 -0.47 0.00 0.00 55.73 53.93 1xwd s ARG 35 Cb -0.00 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 1xwd s ARG 35 CO 0.00 -0.50 -0.08 0.00 -1.08 0.00 0.00 175.30 173.65 1xwd s ALA 36 N -4.03 0.74 0.10 7.88 0.00 -1.26 -1.66 121.76 123.53 1xwd s ALA 36 Ca 0.25 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.79 1xwd s ALA 36 Cb 0.03 -0.25 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1xwd s ALA 36 CO 0.06 0.14 0.27 1.52 0.00 0.00 0.00 175.76 177.75 1xwd s TYR 37 N 0.08 0.03 0.23 0.00 -0.85 -0.71 -5.00 117.35 111.13 1xwd s TYR 37 Ca -0.01 -0.42 -0.32 0.00 -0.52 0.00 0.00 57.07 55.81 1xwd s TYR 37 Cb -0.06 0.06 -0.13 0.00 0.38 0.00 0.00 41.96 42.20 1xwd s TYR 37 CO 0.00 -0.61 1.49 -2.30 -1.52 0.00 0.00 175.55 172.62 1xwd n PRO 38 N -0.12 2.21 -2.11 -3.49 -0.02 -1.26 -0.69 135.00 129.52 1xwd n PRO 38 Ca -0.15 0.79 -0.43 0.00 -2.02 0.00 0.00 63.50 61.69 1xwd n PRO 38 Cb 0.63 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.20 3.71 0.30 3.45 2.01 -0.52 -4.72 115.64 120.08 1xwd s THR 39 Ca 0.70 0.82 -0.27 0.00 0.31 0.00 0.00 61.69 63.25 1xwd s THR 39 Cb -0.62 -3.68 -0.14 0.00 0.01 0.00 0.00 72.50 68.07 1xwd s THR 39 CO 0.46 -0.23 0.89 -2.65 -0.69 0.00 0.00 174.62 172.40 1xwd n PRO 40 N 7.48 1.08 0.27 4.92 -0.02 -1.26 -4.74 135.00 142.72 1xwd n PRO 40 Ca 0.18 0.38 0.11 0.00 -2.02 0.00 0.00 63.50 62.15 1xwd n PRO 40 Cb 0.45 -1.70 0.73 0.00 -0.02 0.00 0.00 33.50 32.96 1xwd n PRO 40 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xwd h LEU 41 N 1.69 0.00 -0.74 2.45 5.85 -1.98 -0.94 115.31 121.64 1xwd h LEU 41 Ca -0.38 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.24 1xwd h LEU 41 Cb 1.36 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1xwd h LEU 41 CO 0.59 0.08 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.59 1xwd h ARG 42 N 0.00 0.88 -0.34 1.25 9.65 -2.01 -2.94 114.38 120.87 1xwd h ARG 42 Ca -0.00 -0.29 -0.10 0.00 -1.10 0.00 0.00 59.98 58.49 1xwd h ARG 42 Cb 0.19 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.69 1xwd h ARG 42 CO 0.01 0.93 -0.17 0.77 2.80 0.00 0.00 179.97 184.30 1xwd h SER 43 N 0.79 0.74 0.00 -3.80 0.02 -1.55 -2.98 113.55 106.77 1xwd h SER 43 Ca 0.13 -0.41 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1xwd h SER 43 Cb 0.60 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.93 1xwd h SER 43 CO 0.04 0.99 0.02 0.29 -1.14 0.00 0.00 176.83 177.02 1xwd n LYS 44 N -4.33 0.00 0.02 3.45 5.02 -0.67 -0.75 118.16 120.90 1xwd n LYS 44 Ca -0.03 0.25 0.11 0.00 -2.02 0.00 0.00 58.31 56.63 1xwd n LYS 44 Cb 0.40 -1.52 -0.10 0.00 -0.02 0.00 0.00 35.03 33.80 1xwd n LYS 44 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1xwd n LYS 45 N -1.24 0.54 0.00 1.97 4.81 -1.12 -4.13 118.16 118.99 1xwd n LYS 45 Ca 0.00 -0.09 0.14 0.00 -0.87 0.00 0.00 58.31 57.49 1xwd n LYS 45 Cb 0.02 -1.60 0.44 0.00 0.02 0.00 0.00 35.03 33.91 1xwd n LYS 45 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1xwd n THR 46 N -2.25 0.00 -4.54 3.15 -2.24 0.07 -4.89 114.28 103.58 1xwd n THR 46 Ca -0.02 -0.27 -0.30 0.00 -2.27 0.00 0.00 64.05 61.19 1xwd n THR 46 Cb 0.53 0.64 -0.17 0.00 -2.10 0.00 0.00 70.33 69.23 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 -2.06 2.47 0.26 -0.78 0.23 -1.24 -5.00 119.30 113.17 1xwd s MET 47 Ca 0.35 -0.65 0.02 0.00 -1.03 0.00 0.00 55.69 54.37 1xwd s MET 47 Cb 0.21 -2.05 0.35 0.00 -1.53 0.00 0.00 34.83 31.80 1xwd s MET 47 CO 0.35 -0.04 1.67 -0.07 -2.03 0.00 0.00 175.02 174.90 1xwd h LEU 48 N 7.37 0.48 -8.76 0.18 3.38 -1.90 -3.39 115.31 112.66 1xwd h LEU 48 Ca -0.31 -0.19 -0.65 0.00 0.09 0.00 0.00 57.88 56.82 1xwd h LEU 48 Cb 1.18 -0.13 -0.20 0.00 0.09 0.00 0.00 40.66 41.60 1xwd h LEU 48 CO 0.51 0.79 -0.55 -0.69 0.09 0.00 0.00 178.44 178.58 1xwd s VAL 49 N -4.34 4.92 0.03 1.22 1.01 -1.26 -5.08 120.40 116.91 1xwd s VAL 49 Ca -0.07 -0.04 -0.25 0.00 0.00 0.00 0.00 61.98 61.62 1xwd s VAL 49 Cb 0.13 -3.37 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1xwd s VAL 49 CO 0.80 0.23 0.77 -1.10 0.00 0.00 0.00 175.10 175.80 1xwd s GLN 50 N 1.70 4.49 -0.13 2.72 -1.52 -1.26 -5.06 119.66 120.60 1xwd s GLN 50 Ca 0.06 1.06 0.00 0.00 -1.95 0.00 0.00 55.36 54.54 1xwd s GLN 50 Cb -0.16 -3.37 0.02 0.00 -0.22 0.00 0.00 33.01 29.28 1xwd s GLN 50 CO 0.08 0.25 -0.11 0.15 -0.25 0.00 0.00 175.29 175.41 1xwd s LYS 51 N 0.06 1.95 0.33 2.91 -0.14 -1.26 -5.02 119.74 118.56 1xwd s LYS 51 Ca 0.39 -0.43 0.12 0.00 -1.36 0.00 0.00 55.97 54.70 1xwd s LYS 51 Cb -0.20 -1.85 0.56 0.00 -1.68 0.00 0.00 37.83 34.66 1xwd s LYS 51 CO 0.23 -0.23 1.72 -0.91 -0.76 0.00 0.00 175.35 175.40 1xwd h ASN 52 N 8.02 0.00 -3.38 2.83 4.21 -1.97 -3.43 115.58 121.86 1xwd h ASN 52 Ca -0.34 0.00 -0.66 0.00 1.21 0.00 0.00 56.30 56.51 1xwd h ASN 52 Cb 1.14 0.00 -0.14 0.00 -1.12 0.00 0.00 38.32 38.20 1xwd h ASN 52 CO 0.47 0.48 -0.65 -0.69 -1.29 0.00 0.00 177.43 175.76 1xwd s VAL 53 N -3.87 4.10 -0.19 2.81 1.01 -1.26 -1.44 120.40 121.56 1xwd s VAL 53 Ca -0.02 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1xwd s VAL 53 Cb 0.13 -2.84 0.03 0.00 0.00 0.00 0.00 36.38 33.70 1xwd s VAL 53 CO 0.74 0.35 -0.17 -0.89 0.00 0.00 0.00 175.10 175.12 1xwd s THR 54 N -1.11 1.93 -0.20 3.92 2.01 0.14 -4.73 115.64 117.60 1xwd s THR 54 Ca 0.20 -0.97 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 1xwd s THR 54 Cb -0.11 -1.82 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1xwd s THR 54 CO 0.11 0.42 0.01 -0.55 -0.69 0.00 0.00 174.62 173.92 1xwd s SER 55 N 1.32 4.92 -0.09 3.53 0.15 -1.26 -1.73 113.70 120.53 1xwd s SER 55 Ca 0.03 -0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.51 1xwd s SER 55 Cb -0.14 -1.85 -0.02 0.00 -1.71 0.00 0.00 66.02 62.30 1xwd s SER 55 CO -0.11 0.06 -0.13 -1.83 1.20 0.00 0.00 173.24 172.43 1xwd s GLU 56 N 1.01 3.00 -0.01 5.44 -1.05 -0.66 -5.02 118.70 121.41 1xwd s GLU 56 Ca 0.02 -0.68 -0.08 0.00 -0.15 0.00 0.00 54.97 54.08 1xwd s GLU 56 Cb -0.14 -2.53 0.01 0.00 -0.44 0.00 0.00 34.13 31.02 1xwd s GLU 56 CO 0.02 0.41 0.16 -1.54 0.95 0.00 0.00 175.26 175.26 1xwd s SER 57 N -0.16 -0.03 0.21 0.83 1.04 -1.26 -1.21 113.70 113.13 1xwd s SER 57 Ca -0.00 -0.09 0.08 0.00 0.48 0.00 0.00 55.95 56.42 1xwd s SER 57 Cb -0.13 0.24 -0.05 0.00 0.10 0.00 0.00 66.02 66.18 1xwd s SER 57 CO 0.03 -0.34 -0.15 0.28 0.98 0.00 0.00 173.24 174.05 1xwd s THR 58 N -1.17 1.83 -0.00 2.02 -1.32 -1.14 -4.47 115.64 111.40 1xwd s THR 58 Ca -0.12 -2.24 -0.05 0.00 -1.21 0.00 0.00 61.69 58.06 1xwd s THR 58 Cb -0.06 -2.08 -0.00 0.00 -1.51 0.00 0.00 72.50 68.85 1xwd s THR 58 CO 0.02 -0.57 0.10 0.00 -2.21 0.00 0.00 174.62 171.96 1xwd s VAL 61 N 7.54 1.51 -0.08 0.00 -7.23 -1.04 -4.76 120.40 116.35 1xwd s VAL 61 Ca 0.59 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 1xwd s VAL 61 Cb -0.12 -2.05 -0.02 0.00 0.56 0.00 0.00 36.38 34.75 1xwd s VAL 61 CO 0.22 -0.59 1.13 0.00 -0.31 0.00 0.00 175.10 175.54 1xwd s ALA 62 N -3.11 3.47 -0.11 1.32 0.00 -1.26 -2.06 121.76 120.00 1xwd s ALA 62 Ca 0.22 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.64 1xwd s ALA 62 Cb 0.01 -3.49 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1xwd s ALA 62 CO 0.06 -0.71 0.16 -0.22 0.00 0.00 0.00 175.76 175.04 1xwd h LYS 63 N 7.33 0.00 -6.72 0.00 3.64 -0.42 -3.47 116.57 116.93 1xwd h LYS 63 Ca -0.33 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.37 1xwd h LYS 63 Cb 1.15 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.78 1xwd h LYS 63 CO 0.87 0.21 -0.80 -1.54 -2.27 0.00 0.00 179.45 175.92 1xwd s SER 64 N -5.69 3.87 -0.14 4.20 1.04 -1.21 -4.99 113.70 110.78 1xwd s SER 64 Ca -0.04 -0.55 -0.25 0.00 0.48 0.00 0.00 55.95 55.59 1xwd s SER 64 Cb -0.01 -0.54 0.06 0.00 0.10 0.00 0.00 66.02 65.63 1xwd s SER 64 CO 0.14 0.18 0.62 -0.72 0.98 0.00 0.00 173.24 174.44 1xwd s TYR 65 N -1.13 -0.63 -0.08 5.02 -0.85 -1.26 -2.18 117.35 116.25 1xwd s TYR 65 Ca 0.18 1.32 -0.12 0.00 -0.52 0.00 0.00 57.07 57.93 1xwd s TYR 65 Cb -0.11 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.48 1xwd s TYR 65 CO 0.10 -0.45 0.30 -0.80 -1.52 0.00 0.00 175.55 173.17 1xwd s ASN 66 N -0.45 6.59 -0.93 -0.18 0.01 -0.95 -4.90 114.94 114.12 1xwd s ASN 66 Ca -0.06 0.70 -0.20 0.00 -0.71 0.00 0.00 52.86 52.59 1xwd s ASN 66 Cb -0.03 -2.18 0.11 0.00 0.41 0.00 0.00 41.25 39.57 1xwd s ASN 66 CO 0.05 0.29 1.18 -0.60 -1.51 0.00 0.00 177.10 176.51 1xwd s ARG 67 N -0.67 3.58 0.29 -0.60 3.52 -1.26 -0.87 118.95 122.93 1xwd s ARG 67 Ca 0.19 -1.61 0.06 0.00 -0.13 0.00 0.00 55.73 54.25 1xwd s ARG 67 Cb -0.14 -4.97 -0.02 0.00 -1.56 0.00 0.00 34.95 28.25 1xwd s ARG 67 CO 0.08 -1.85 0.34 0.14 -0.81 0.00 0.00 175.30 173.20 1xwd s VAL 68 N 3.16 4.44 -0.15 7.11 -7.23 -0.33 -4.90 120.40 122.51 1xwd s VAL 68 Ca 0.35 -1.15 -0.03 0.00 -1.81 0.00 0.00 61.98 59.33 1xwd s VAL 68 Cb -0.04 -3.51 -0.03 0.00 0.56 0.00 0.00 36.38 33.35 1xwd s VAL 68 CO -0.09 -0.26 -0.03 -0.89 -0.31 0.00 0.00 175.10 173.52 1xwd s THR 69 N -2.13 3.93 0.42 5.32 2.01 -1.26 -1.23 115.64 122.70 1xwd s THR 69 Ca 0.38 -0.35 0.07 0.00 0.31 0.00 0.00 61.69 62.10 1xwd s THR 69 Cb -0.08 -2.71 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 1xwd s THR 69 CO 0.28 0.50 0.16 0.68 -0.69 0.00 0.00 174.62 175.55 1xwd s VAL 70 N 0.23 2.22 0.30 3.82 -7.23 -0.33 -4.97 120.40 114.44 1xwd s VAL 70 Ca -0.02 -1.74 0.04 0.00 -1.81 0.00 0.00 61.98 58.45 1xwd s VAL 70 Cb -0.14 -2.96 0.34 0.00 0.56 0.00 0.00 36.38 34.18 1xwd s VAL 70 CO 0.03 0.00 1.62 -0.03 -0.31 0.00 0.00 175.10 176.41 1xwd h MET 71 N 1.46 0.14 0.00 4.82 1.85 -1.90 0.74 114.93 122.04 1xwd h MET 71 Ca -0.43 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 1xwd h MET 71 Cb 1.25 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.25 1xwd h MET 71 CO 0.71 0.09 0.08 0.41 -0.40 0.00 0.00 176.91 177.80 1xwd n GLY 72 N -1.39 -0.40 1.99 1.39 0.00 -1.26 -4.73 105.19 100.79 1xwd n GLY 72 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.39 0.49 3.90 -0.02 0.00 0.26 -5.03 105.19 103.39 1xwd n GLY 73 Ca 0.00 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.57 -0.25 1.61 0.40 -1.20 -4.84 117.98 115.27 1xwd s PHE 74 Ca 0.00 0.94 -0.00 0.00 -0.60 0.00 0.00 56.93 57.27 1xwd s PHE 74 Cb 0.00 -2.41 0.03 0.00 0.51 0.00 0.00 43.02 41.16 1xwd s PHE 74 CO 0.00 -0.36 -0.08 0.15 0.70 0.00 0.00 175.22 175.63 1xwd s LYS 75 N -4.76 2.69 0.38 0.44 1.02 -1.26 -1.18 119.74 117.07 1xwd s LYS 75 Ca 0.49 -1.07 0.05 0.00 0.02 0.00 0.00 55.97 55.47 1xwd s LYS 75 Cb -0.10 -2.94 -0.07 0.00 -0.52 0.00 0.00 37.83 34.20 1xwd s LYS 75 CO 0.46 -0.44 0.03 0.14 -0.92 0.00 0.00 175.35 174.62 1xwd s VAL 76 N 1.27 1.56 -0.20 3.17 -7.23 -0.37 -4.97 120.40 113.64 1xwd s VAL 76 Ca -0.02 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.05 1xwd s VAL 76 Cb -0.17 -2.84 -0.05 0.00 0.56 0.00 0.00 36.38 33.88 1xwd s VAL 76 CO -0.05 0.00 0.16 -1.61 -0.31 0.00 0.00 175.10 173.29 1xwd s GLU 77 N -3.79 4.18 -0.40 4.82 2.02 -1.26 -1.19 118.70 123.08 1xwd s GLU 77 Ca 0.33 -0.18 -0.17 0.00 0.02 0.00 0.00 54.97 54.97 1xwd s GLU 77 Cb 0.09 -3.44 0.01 0.00 0.10 0.00 0.00 34.13 30.89 1xwd s GLU 77 CO 0.16 0.25 0.44 1.21 0.02 0.00 0.00 175.26 177.34 1xwd s ASN 78 N 0.48 6.21 0.22 -0.19 2.47 -0.05 -4.78 114.94 119.29 1xwd s ASN 78 Ca 0.09 -0.51 -0.30 0.00 0.42 0.00 0.00 52.86 52.56 1xwd s ASN 78 Cb -0.12 -2.23 -0.08 0.00 -1.45 0.00 0.00 41.25 37.37 1xwd s ASN 78 CO -0.00 -0.53 1.06 -1.00 -3.72 0.00 0.00 177.10 172.91 1xwd s HIS 79 N 2.16 3.68 0.00 0.43 3.76 0.36 -2.23 115.29 123.45 1xwd s HIS 79 Ca 0.13 1.71 0.00 0.00 -0.15 0.00 0.00 55.06 56.75 1xwd s HIS 79 Cb -0.17 -3.21 0.00 0.00 1.11 0.00 0.00 32.58 30.32 1xwd s HIS 79 CO 0.13 -0.32 0.00 0.25 -0.85 0.00 0.00 174.74 173.95 1xwd n THR 80 N 1.80 0.00 -3.80 1.30 -2.24 -0.93 -4.44 114.28 105.97 1xwd n THR 80 Ca 0.00 -0.17 -0.12 0.00 -2.27 0.00 0.00 64.05 61.49 1xwd n THR 80 Cb 0.46 0.66 -0.11 0.00 -2.10 0.00 0.00 70.33 69.24 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 -1.39 -0.56 -0.06 6.98 0.00 -1.21 -4.94 121.76 120.58 1xwd s ALA 81 Ca 0.00 0.53 -0.00 0.00 0.00 0.00 0.00 51.96 52.49 1xwd s ALA 81 Cb 0.00 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.86 1xwd s ALA 81 CO 0.00 -0.13 -0.03 0.00 0.00 0.00 0.00 175.76 175.60 1xwd s HIS 83 N 1.45 1.09 -0.32 0.00 -3.43 -0.87 -4.90 115.29 108.30 1xwd s HIS 83 Ca -0.03 -0.35 -0.29 0.00 -0.80 0.00 0.00 55.06 53.59 1xwd s HIS 83 Cb -0.13 -0.65 -0.01 0.00 -1.43 0.00 0.00 32.58 30.35 1xwd s HIS 83 CO -0.03 0.02 1.67 0.00 -2.00 0.00 0.00 174.74 174.40 1xwd n SER 85 N 9.56 0.70 -4.66 0.00 2.88 -0.30 -4.77 113.62 117.02 1xwd n SER 85 Ca 0.21 -0.47 -0.44 0.00 -1.33 0.00 0.00 58.87 56.83 1xwd n SER 85 Cb 0.47 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 1xwd n SER 85 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1xwd n THR 86 N 0.00 1.25 -3.37 2.46 -1.04 -1.26 -0.25 114.28 112.07 1xwd n THR 86 Ca 0.00 -0.31 -0.38 0.00 -2.04 0.00 0.00 64.05 61.32 1xwd n THR 86 Cb 0.00 -1.42 -0.06 0.00 -1.82 0.00 0.00 70.33 67.03 1xwd n THR 86 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xwd n TYR 88 N 1.68 0.00 -1.92 0.00 4.01 -1.26 -4.83 117.16 114.84 1xwd n TYR 88 Ca -0.11 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.37 1xwd n TYR 88 Cb 0.51 -0.30 0.03 0.00 -0.31 0.00 0.00 39.34 39.28 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 -2.12 2.80 0.33 -0.72 4.02 -1.26 -4.68 117.16 115.52 1xwd n TYR 89 Ca -0.09 -2.33 0.05 0.00 -0.01 0.00 0.00 57.90 55.52 1xwd n TYR 89 Cb 0.58 -0.50 0.06 0.00 -0.02 0.00 0.00 39.34 39.46 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 -0.74 0.07 -2.89 -0.72 1.44 -1.26 -5.03 115.22 106.08 1xwd n HIS 90 Ca 0.47 -0.08 -0.18 0.00 -2.01 0.00 0.00 57.72 55.91 1xwd n HIS 90 Cb 0.92 -0.00 0.02 0.00 0.12 0.00 0.00 29.99 31.05 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 -0.86 2.73 0.00 -1.40 1.02 -1.26 -5.23 119.74 114.74 1xwd s LYS 91 Ca 0.13 -1.08 0.00 0.00 0.02 0.00 0.00 55.97 55.04 1xwd s LYS 91 Cb 0.09 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.73 1xwd s LYS 91 CO 0.13 -0.42 0.00 0.43 -0.92 0.00 0.00 175.35 174.57