#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwn s ALA 2 N 0.00 4.49 0.57 3.04 0.00 -1.26 -5.10 121.76 123.51 1xwn s ALA 2 Ca 0.00 -1.69 -0.19 0.00 0.00 0.00 0.00 51.96 50.08 1xwn s ALA 2 Cb 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1xwn s ALA 2 CO 0.00 -0.56 1.19 0.00 0.00 0.00 0.00 175.76 176.39 1xwn s ALA 3 N -2.68 2.62 -0.57 0.00 0.00 -1.26 -5.01 121.76 114.87 1xwn s ALA 3 Ca 0.47 0.97 0.06 0.00 0.00 0.00 0.00 51.96 53.47 1xwn s ALA 3 Cb -0.04 -3.43 0.24 0.00 0.00 0.00 0.00 23.12 19.89 1xwn s ALA 3 CO 0.29 -1.04 0.65 -0.89 0.00 0.00 0.00 175.76 174.77 1xwn n ILE 4 N -1.42 1.33 -1.50 0.00 -0.00 -1.26 -5.08 119.36 111.43 1xwn n ILE 4 Ca 0.13 -4.79 -0.47 0.00 -0.00 0.00 0.00 62.75 57.62 1xwn n ILE 4 Cb 0.50 -2.05 -0.06 0.00 -0.00 0.00 0.00 39.64 38.03 1xwn n ILE 4 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1xwn n PRO 5 N 1.19 1.30 -1.71 0.38 -0.02 -1.26 -4.91 135.00 129.97 1xwn n PRO 5 Ca 0.27 0.33 -0.38 0.00 -2.02 0.00 0.00 63.50 61.69 1xwn n PRO 5 Cb 0.44 -2.76 0.05 0.00 -0.02 0.00 0.00 33.50 31.21 1xwn n PRO 5 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xwn n PRO 6 N 8.47 1.37 -2.72 0.52 -0.02 -1.26 -4.98 135.00 136.38 1xwn n PRO 6 Ca 0.38 0.51 -0.03 0.00 -2.02 0.00 0.00 63.50 62.34 1xwn n PRO 6 Cb 0.32 -2.45 0.10 0.00 -0.02 0.00 0.00 33.50 31.44 1xwn n PRO 6 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xwn n ASP 7 N -1.08 -0.44 -4.41 2.55 2.03 -1.26 -5.06 116.55 108.87 1xwn n ASP 7 Ca 0.12 -2.28 -0.45 0.00 0.52 0.00 0.00 54.79 52.70 1xwn n ASP 7 Cb 0.46 0.31 -0.03 0.00 -0.72 0.00 0.00 41.12 41.14 1xwn n ASP 7 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1xwn s SER 8 N -2.06 6.63 -0.25 1.67 1.04 -1.26 -4.95 113.70 114.52 1xwn s SER 8 Ca 0.18 -2.16 -0.07 0.00 0.48 0.00 0.00 55.95 54.38 1xwn s SER 8 Cb 0.41 -2.34 0.12 0.00 0.10 0.00 0.00 66.02 64.30 1xwn s SER 8 CO -0.08 -0.94 0.51 0.86 0.98 0.00 0.00 173.24 174.57 1xwn s TRP 9 N 2.04 -1.08 0.53 5.02 -0.11 -1.26 -5.17 118.94 118.92 1xwn s TRP 9 Ca 0.27 1.75 -0.07 0.00 1.22 0.00 0.00 56.10 59.28 1xwn s TRP 9 Cb -0.07 0.48 -0.04 0.00 -1.50 0.00 0.00 33.47 32.34 1xwn s TRP 9 CO -0.08 -0.62 0.87 -0.65 -4.62 0.00 0.00 176.95 171.85 1xwn s GLN 10 N 2.73 3.55 -0.45 5.86 1.11 -1.26 -4.94 119.66 126.25 1xwn s GLN 10 Ca 0.01 0.38 -0.35 0.00 0.01 0.00 0.00 55.36 55.41 1xwn s GLN 10 Cb -0.13 -2.27 -0.13 0.00 -1.01 0.00 0.00 33.01 29.47 1xwn s GLN 10 CO -0.16 -0.34 2.26 -2.30 0.01 0.00 0.00 175.29 174.76 1xwn n PRO 11 N -2.43 0.81 0.20 2.91 -0.02 -1.26 -4.83 135.00 130.37 1xwn n PRO 11 Ca 0.02 0.19 0.05 0.00 -2.02 0.00 0.00 63.50 61.75 1xwn n PRO 11 Cb 0.55 -2.31 0.44 0.00 -0.02 0.00 0.00 33.50 32.15 1xwn n PRO 11 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1xwn h PRO 12 N 12.54 0.00 -5.98 0.52 0.13 -1.92 -3.44 132.00 133.84 1xwn h PRO 12 Ca -0.22 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.24 1xwn h PRO 12 Cb 1.33 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.34 1xwn h PRO 12 CO 1.08 0.31 -0.59 -0.80 -0.23 0.00 0.00 178.00 177.77 1xwn s ASN 13 N -6.65 5.49 0.16 1.44 0.02 -1.26 -3.45 114.94 110.68 1xwn s ASN 13 Ca -0.02 0.15 0.10 0.00 -1.02 0.00 0.00 52.86 52.07 1xwn s ASN 13 Cb 0.13 -1.56 -0.04 0.00 0.02 0.00 0.00 41.25 39.80 1xwn s ASN 13 CO 0.68 0.33 -0.23 0.68 0.02 0.00 0.00 177.10 178.58 1xwn s VAL 14 N -1.05 2.13 -0.26 1.60 -7.23 -0.67 -1.88 120.40 113.05 1xwn s VAL 14 Ca 0.18 -1.86 -0.03 0.00 -1.81 0.00 0.00 61.98 58.46 1xwn s VAL 14 Cb -0.12 -1.95 0.02 0.00 0.56 0.00 0.00 36.38 34.90 1xwn s VAL 14 CO 0.08 -0.09 -0.03 -0.31 -0.31 0.00 0.00 175.10 174.44 1xwn s TYR 15 N -1.49 3.08 -0.47 2.82 1.51 -0.53 -2.34 117.35 119.93 1xwn s TYR 15 Ca 0.16 -1.44 -0.14 0.00 -1.01 0.00 0.00 57.07 54.63 1xwn s TYR 15 Cb -0.08 -2.10 0.08 0.00 -0.11 0.00 0.00 41.96 39.75 1xwn s TYR 15 CO 0.07 -0.70 0.38 -0.51 -1.11 0.00 0.00 175.55 173.68 1xwn s LEU 16 N 1.36 5.59 -1.04 -1.29 1.43 -0.57 -2.73 118.68 121.43 1xwn s LEU 16 Ca 0.01 -1.41 -0.18 0.00 -1.03 0.00 0.00 54.13 51.52 1xwn s LEU 16 Cb -0.17 -2.15 0.12 0.00 0.03 0.00 0.00 46.19 44.03 1xwn s LEU 16 CO -0.03 -0.65 1.30 -1.61 0.23 0.00 0.00 176.35 175.59 1xwn s GLU 17 N 1.59 3.74 0.52 1.70 2.02 -0.81 -2.18 118.70 125.27 1xwn s GLU 17 Ca 0.04 -1.85 -0.07 0.00 0.02 0.00 0.00 54.97 53.10 1xwn s GLU 17 Cb -0.25 -5.07 -0.04 0.00 0.10 0.00 0.00 34.13 28.87 1xwn s GLU 17 CO 0.05 -1.88 0.86 0.95 0.02 0.00 0.00 175.26 175.26 1xwn s THR 18 N 2.96 4.84 0.40 3.63 -4.23 0.63 -0.14 115.64 123.72 1xwn s THR 18 Ca 0.39 0.44 0.06 0.00 -1.18 0.00 0.00 61.69 61.40 1xwn s THR 18 Cb -0.03 -3.86 0.24 0.00 1.34 0.00 0.00 72.50 70.20 1xwn s THR 18 CO -0.06 -0.92 2.02 -1.28 -0.54 0.00 0.00 174.62 173.85 1xwn h SER 19 N 0.14 0.48 0.39 3.99 0.87 -0.36 -2.12 113.55 116.93 1xwn h SER 19 Ca -0.46 -0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 59.90 1xwn h SER 19 Cb 1.20 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1xwn h SER 19 CO 0.62 0.39 -0.71 -0.03 -0.53 0.00 0.00 176.83 176.56 1xwn h MET 20 N 0.55 0.28 0.00 2.24 1.85 -1.77 -3.47 114.93 114.60 1xwn h MET 20 Ca 0.14 -0.23 0.00 0.00 -0.61 0.00 0.00 59.70 59.01 1xwn h MET 20 Cb 0.01 0.05 0.00 0.00 0.43 0.00 0.00 31.60 32.09 1xwn h MET 20 CO -0.02 0.88 0.00 0.41 -0.40 0.00 0.00 176.91 177.77 1xwn n GLY 21 N 0.52 -1.15 3.18 1.39 0.00 -0.80 -5.09 105.19 103.23 1xwn n GLY 21 Ca -0.03 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.77 1xwn n GLY 21 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xwn s ILE 22 N -3.00 2.21 0.05 -0.61 -1.16 -1.26 -0.27 121.20 117.16 1xwn s ILE 22 Ca 0.00 -0.92 0.06 0.00 -0.51 0.00 0.00 60.65 59.28 1xwn s ILE 22 Cb 0.00 -1.91 -0.02 0.00 0.61 0.00 0.00 42.46 41.14 1xwn s ILE 22 CO 0.00 0.54 -0.17 0.27 -2.81 0.00 0.00 174.94 172.77 1xwn s ILE 23 N 0.96 1.32 -0.10 2.00 -4.36 -0.93 -4.83 121.20 115.26 1xwn s ILE 23 Ca -0.03 -1.13 -0.03 0.00 -0.26 0.00 0.00 60.65 59.20 1xwn s ILE 23 Cb -0.15 -1.19 -0.03 0.00 1.25 0.00 0.00 42.46 42.34 1xwn s ILE 23 CO -0.04 0.04 0.04 -0.69 0.24 0.00 0.00 174.94 174.52 1xwn s VAL 24 N -0.89 4.61 0.08 8.37 1.01 0.22 -1.52 120.40 132.28 1xwn s VAL 24 Ca 0.03 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1xwn s VAL 24 Cb -0.08 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.29 1xwn s VAL 24 CO 0.02 0.60 -0.06 -0.76 0.00 0.00 0.00 175.10 174.90 1xwn s LEU 25 N -0.83 2.49 0.06 3.92 1.43 -0.99 -3.72 118.68 121.04 1xwn s LEU 25 Ca 0.13 -0.97 0.09 0.00 -1.03 0.00 0.00 54.13 52.34 1xwn s LEU 25 Cb -0.12 -0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.05 1xwn s LEU 25 CO 0.03 -0.47 -0.25 -1.83 0.23 0.00 0.00 176.35 174.05 1xwn s GLU 26 N -3.69 1.62 0.03 1.70 -1.05 -1.18 -1.66 118.70 114.47 1xwn s GLU 26 Ca 0.09 -1.09 0.07 0.00 -0.15 0.00 0.00 54.97 53.89 1xwn s GLU 26 Cb 0.05 -1.82 -0.03 0.00 -0.44 0.00 0.00 34.13 31.89 1xwn s GLU 26 CO -0.05 0.46 -0.19 -0.51 0.95 0.00 0.00 175.26 175.92 1xwn s LEU 27 N -1.33 2.57 -0.62 1.83 2.01 -1.22 -1.93 118.68 119.98 1xwn s LEU 27 Ca 0.11 -0.42 -0.24 0.00 0.01 0.00 0.00 54.13 53.59 1xwn s LEU 27 Cb -0.10 -1.50 0.05 0.00 0.01 0.00 0.00 46.19 44.65 1xwn s LEU 27 CO 0.02 0.27 0.99 -0.31 1.01 0.00 0.00 176.35 178.33 1xwn s TYR 28 N -0.89 2.68 -1.80 0.29 1.51 -1.16 -4.89 117.35 113.08 1xwn s TYR 28 Ca 0.14 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.94 1xwn s TYR 28 Cb -0.10 -4.24 0.00 0.00 -0.11 0.00 0.00 41.96 37.50 1xwn s TYR 28 CO 0.04 -1.57 0.74 0.91 -1.11 0.00 0.00 175.55 174.56 1xwn n TRP 29 N 7.81 0.00 -0.07 2.71 7.02 -1.26 -1.08 117.44 132.56 1xwn n TRP 29 Ca -0.01 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.40 1xwn n TRP 29 Cb 0.47 -0.02 -0.02 0.00 -2.42 0.00 0.00 31.31 29.32 1xwn n TRP 29 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xwn n LYS 30 N -0.38 0.42 -0.01 -0.99 5.02 -1.26 -4.46 118.16 116.50 1xwn n LYS 30 Ca 0.00 0.17 0.10 0.00 -2.02 0.00 0.00 58.31 56.56 1xwn n LYS 30 Cb 0.04 -1.24 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 1xwn n LYS 30 CO 0.00 0.00 0.00 -2.39 -0.52 0.00 0.00 177.40 174.49 1xwn n HIS 31 N -4.06 0.00 0.86 2.13 1.44 -1.25 -4.44 115.22 109.90 1xwn n HIS 31 Ca -0.11 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.72 1xwn n HIS 31 Cb 0.41 -0.29 0.16 0.00 0.12 0.00 0.00 29.99 30.39 1xwn n HIS 31 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xwn n ALA 32 N -1.93 2.46 -0.43 1.59 0.00 -0.25 -4.62 120.51 117.34 1xwn n ALA 32 Ca -0.01 -0.75 0.38 0.00 0.00 0.00 0.00 53.44 53.06 1xwn n ALA 32 Cb 0.45 -0.85 0.66 0.00 0.00 0.00 0.00 19.45 19.71 1xwn n ALA 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xwn h PRO 33 N 4.47 0.00 0.37 0.00 0.11 -1.76 0.84 132.00 136.03 1xwn h PRO 33 Ca 0.00 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1xwn h PRO 33 Cb 0.96 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1xwn h PRO 33 CO 0.00 0.00 -0.18 -0.22 -0.21 0.00 0.00 178.00 177.39 1xwn h LYS 34 N 0.00 -0.48 -0.45 1.05 1.63 -1.92 -1.84 116.57 114.55 1xwn h LYS 34 Ca 0.88 0.03 -0.14 0.00 -0.85 0.00 0.00 60.65 60.57 1xwn h LYS 34 Cb 2.68 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 34.41 1xwn h LYS 34 CO -0.56 -0.17 -0.25 1.15 -3.45 0.00 0.00 179.45 176.17 1xwn h THR 35 N -0.85 1.27 -0.03 1.00 2.02 -1.14 -2.80 112.91 112.39 1xwn h THR 35 Ca -0.05 -1.41 0.01 0.00 0.77 0.00 0.00 66.41 65.73 1xwn h THR 35 Cb 0.54 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 1xwn h THR 35 CO 0.08 0.48 -0.05 0.00 0.37 0.00 0.00 175.52 176.41 1xwn h LYS 37 N -0.08 0.74 -0.19 0.00 1.63 -1.33 -1.25 116.57 116.09 1xwn h LYS 37 Ca 0.03 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1xwn h LYS 37 Cb 0.12 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1xwn h LYS 37 CO -0.07 0.49 0.12 -0.97 -3.45 0.00 0.00 179.45 175.57 1xwn h ASN 38 N 0.76 0.23 -0.50 4.20 -1.24 -1.18 0.40 115.58 118.24 1xwn h ASN 38 Ca 0.28 -0.03 0.05 0.00 0.71 0.00 0.00 56.30 57.31 1xwn h ASN 38 Cb 0.09 -0.06 -0.05 0.00 0.73 0.00 0.00 38.32 39.03 1xwn h ASN 38 CO -0.14 0.19 0.24 0.15 -1.29 0.00 0.00 177.43 176.58 1xwn h PHE 39 N 0.25 0.43 -0.11 0.67 3.04 -0.51 0.18 116.94 120.89 1xwn h PHE 39 Ca 0.07 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.03 1xwn h PHE 39 Cb -0.00 -0.12 -0.00 0.00 2.56 0.00 0.00 35.95 38.38 1xwn h PHE 39 CO -0.06 0.20 0.04 0.00 -2.02 0.00 0.00 178.31 176.47 1xwn h ALA 40 N 1.29 0.15 -0.71 2.41 0.00 -0.99 -2.30 119.26 119.10 1xwn h ALA 40 Ca 0.23 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1xwn h ALA 40 Cb 0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1xwn h ALA 40 CO -0.18 -0.26 0.39 0.93 0.00 0.00 0.00 179.25 180.14 1xwn h GLU 41 N 0.01 0.99 0.17 0.00 5.08 -0.57 0.16 114.58 120.42 1xwn h GLU 41 Ca 0.04 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1xwn h GLU 41 Cb 0.19 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 1xwn h GLU 41 CO -0.00 0.74 -0.11 1.25 -1.00 0.00 0.00 179.01 179.88 1xwn h LEU 42 N 0.97 -0.28 -0.12 1.33 5.85 -0.55 0.30 115.31 122.82 1xwn h LEU 42 Ca 0.25 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.96 1xwn h LEU 42 Cb 0.03 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 1xwn h LEU 42 CO -0.04 -0.18 -0.05 0.00 -0.34 0.00 0.00 178.44 177.83 1xwn h ALA 43 N 0.55 0.17 -0.70 1.25 0.00 -1.31 0.14 119.26 119.36 1xwn h ALA 43 Ca -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1xwn h ALA 43 Cb 0.24 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1xwn h ALA 43 CO 0.01 -0.07 0.40 -0.09 0.00 0.00 0.00 179.25 179.51 1xwn h ARG 44 N -0.09 0.96 -0.70 0.00 1.12 -0.66 -2.70 114.38 112.31 1xwn h ARG 44 Ca 0.03 -0.10 -0.04 0.00 -1.11 0.00 0.00 59.98 58.76 1xwn h ARG 44 Cb 0.49 -0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.22 1xwn h ARG 44 CO 0.02 0.70 0.27 -0.09 -3.11 0.00 0.00 179.97 177.75 1xwn h ARG 45 N 0.95 1.05 0.00 0.20 1.12 -0.40 -3.47 114.38 113.83 1xwn h ARG 45 Ca 0.25 -0.19 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 1xwn h ARG 45 Cb 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 29.97 29.79 1xwn h ARG 45 CO -0.04 0.86 0.00 0.41 -3.11 0.00 0.00 179.97 178.09 1xwn n GLY 46 N -0.92 1.10 0.04 2.80 0.00 -0.93 -5.05 105.19 102.24 1xwn n GLY 46 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1xwn n GLY 46 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xwn n TYR 47 N -0.03 0.00 -0.03 1.61 4.19 -0.01 -4.63 117.16 118.26 1xwn n TYR 47 Ca 0.00 0.00 -0.07 0.00 3.31 0.00 0.00 57.90 61.14 1xwn n TYR 47 Cb 0.00 -0.40 0.11 0.00 0.49 0.00 0.00 39.34 39.55 1xwn n TYR 47 CO 0.00 0.00 0.00 -0.92 0.91 0.00 0.00 176.86 176.85 1xwn h TYR 48 N 0.00 0.72 -2.40 2.98 3.20 -1.79 -3.42 116.97 116.26 1xwn h TYR 48 Ca -0.22 -0.19 -0.57 0.00 3.14 0.00 0.00 58.73 60.89 1xwn h TYR 48 Cb 1.46 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.55 1xwn h TYR 48 CO 0.00 0.87 1.35 0.54 -1.64 0.00 0.00 178.16 179.29 1xwn s ASN 49 N -6.82 5.67 0.00 -2.11 4.22 -1.26 -2.25 114.94 112.38 1xwn s ASN 49 Ca -0.08 1.37 0.00 0.00 -2.14 0.00 0.00 52.86 52.01 1xwn s ASN 49 Cb 0.13 -2.52 0.00 0.00 1.28 0.00 0.00 41.25 40.14 1xwn s ASN 49 CO 0.82 -1.88 0.00 0.61 -2.04 0.00 0.00 177.10 174.61 1xwn n GLY 50 N 5.55 1.36 3.62 0.45 0.00 -0.86 -5.02 105.19 110.30 1xwn n GLY 50 Ca 0.25 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.98 1xwn n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xwn s THR 51 N -0.70 2.25 -0.13 2.61 2.01 -0.96 -4.82 115.64 115.91 1xwn s THR 51 Ca 0.00 0.08 -0.19 0.00 0.31 0.00 0.00 61.69 61.89 1xwn s THR 51 Cb 0.00 -2.28 0.05 0.00 0.01 0.00 0.00 72.50 70.28 1xwn s THR 51 CO 0.00 -0.10 0.48 -0.75 -0.69 0.00 0.00 174.62 173.56 1xwn s LYS 52 N -4.68 0.67 -0.34 4.92 2.36 -1.26 -1.88 119.74 119.53 1xwn s LYS 52 Ca 0.66 0.43 -0.28 0.00 -2.55 0.00 0.00 55.97 54.23 1xwn s LYS 52 Cb -0.22 0.32 -0.03 0.00 -1.05 0.00 0.00 37.83 36.85 1xwn s LYS 52 CO 0.60 -0.13 1.93 -0.06 1.55 0.00 0.00 175.35 179.24 1xwn s PHE 53 N -0.30 1.62 -2.41 4.03 0.08 -1.20 -4.77 117.98 115.03 1xwn s PHE 53 Ca -0.05 0.67 0.23 0.00 0.12 0.00 0.00 56.93 57.91 1xwn s PHE 53 Cb -0.03 -4.05 0.48 0.00 -0.57 0.00 0.00 43.02 38.84 1xwn s PHE 53 CO 0.03 -3.11 1.43 -2.39 -0.10 0.00 0.00 175.22 171.08 1xwn n HIS 54 N 11.12 0.53 -3.52 0.36 1.44 -1.26 -4.78 115.22 119.11 1xwn n HIS 54 Ca 0.25 -0.27 -0.11 0.00 -2.01 0.00 0.00 57.72 55.58 1xwn n HIS 54 Cb 0.47 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.48 1xwn n HIS 54 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1xwn s ARG 55 N -1.47 0.28 -0.21 -1.40 1.81 -1.25 -4.78 118.95 111.93 1xwn s ARG 55 Ca 0.39 0.69 -0.04 0.00 -1.72 0.00 0.00 55.73 55.05 1xwn s ARG 55 Cb 0.23 -0.23 0.07 0.00 -0.45 0.00 0.00 34.95 34.56 1xwn s ARG 55 CO 0.31 -0.46 0.08 0.42 -0.68 0.00 0.00 175.30 174.97 1xwn s ILE 56 N 2.52 0.20 -1.11 1.52 1.09 -1.23 -2.82 121.20 121.36 1xwn s ILE 56 Ca 0.06 -0.50 -0.09 0.00 -1.10 0.00 0.00 60.65 59.02 1xwn s ILE 56 Cb -0.14 -0.89 0.28 0.00 -1.06 0.00 0.00 42.46 40.65 1xwn s ILE 56 CO -0.13 -0.37 1.12 -0.38 -0.10 0.00 0.00 174.94 175.08 1xwn n ILE 57 N 5.16 4.55 -0.45 2.92 -0.00 -0.95 -4.67 119.36 125.92 1xwn n ILE 57 Ca -0.07 -5.39 0.00 0.00 -0.00 0.00 0.00 62.75 57.29 1xwn n ILE 57 Cb 0.47 -2.57 0.00 0.00 -0.00 0.00 0.00 39.64 37.53 1xwn n ILE 57 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.55 177.72 1xwn n LYS 58 N 2.63 0.00 -1.48 0.38 4.81 -1.26 -1.93 118.16 121.31 1xwn n LYS 58 Ca 0.24 0.00 -0.28 0.00 -0.87 0.00 0.00 58.31 57.40 1xwn n LYS 58 Cb 0.39 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.37 1xwn n LYS 58 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1xwn n ASP 59 N -3.42 6.83 0.03 3.14 9.92 -1.26 -4.26 116.55 127.52 1xwn n ASP 59 Ca 0.00 -2.96 0.00 0.00 -0.53 0.00 0.00 54.79 51.30 1xwn n ASP 59 Cb 0.00 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.14 1xwn n ASP 59 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1xwn n PHE 60 N 1.73 -0.27 -3.67 1.24 7.35 -0.81 -3.24 117.46 119.78 1xwn n PHE 60 Ca 0.54 0.05 -0.12 0.00 -0.76 0.00 0.00 57.45 57.16 1xwn n PHE 60 Cb 0.53 0.14 -0.08 0.00 0.35 0.00 0.00 39.48 40.41 1xwn n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xwn s MET 61 N -1.40 0.67 -0.15 -4.13 0.23 -1.21 -0.91 119.30 112.40 1xwn s MET 61 Ca 0.00 0.89 -0.01 0.00 -1.03 0.00 0.00 55.69 55.54 1xwn s MET 61 Cb 0.00 0.27 0.04 0.00 -1.53 0.00 0.00 34.83 33.61 1xwn s MET 61 CO 0.00 -0.10 -0.01 0.42 -2.03 0.00 0.00 175.02 173.29 1xwn s ILE 62 N 0.65 0.74 0.01 3.16 1.01 -0.01 -2.23 121.20 124.53 1xwn s ILE 62 Ca -0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 60.65 60.22 1xwn s ILE 62 Cb -0.05 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 1xwn s ILE 62 CO -0.04 0.07 0.12 0.00 0.00 0.00 0.00 174.94 175.09 1xwn s GLN 63 N 1.79 3.16 -0.19 2.79 -2.07 -1.13 -0.03 119.66 123.99 1xwn s GLN 63 Ca 0.02 -0.48 -0.04 0.00 -1.82 0.00 0.00 55.36 53.04 1xwn s GLN 63 Cb -0.15 -2.91 0.09 0.00 -1.09 0.00 0.00 33.01 28.95 1xwn s GLN 63 CO -0.07 0.64 0.24 0.20 -1.32 0.00 0.00 175.29 174.97 1xwn s GLY 64 N -1.97 -0.04 0.39 2.60 0.00 -0.27 -3.93 107.32 104.10 1xwn s GLY 64 Ca 0.26 0.41 -0.15 0.00 0.00 0.00 0.00 44.72 45.24 1xwn s GLY 64 CO 0.18 2.15 0.81 0.61 0.00 0.00 0.00 173.10 176.84 1xwn n GLY 65 N 5.33 0.96 2.60 0.20 0.00 -1.26 -3.21 105.19 109.80 1xwn n GLY 65 Ca -0.05 -1.25 -0.04 0.00 0.00 0.00 0.00 46.02 44.67 1xwn n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xwn n ASP 66 N -1.52 -5.53 -3.18 1.61 2.03 -1.24 -4.90 116.55 103.81 1xwn n ASP 66 Ca -0.09 -0.24 -0.36 0.00 0.52 0.00 0.00 54.79 54.63 1xwn n ASP 66 Cb 0.60 -3.78 -0.04 0.00 -0.72 0.00 0.00 41.12 37.17 1xwn n ASP 66 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1xwn n PRO 67 N -2.02 3.63 0.03 -0.67 -0.04 -1.26 -4.23 135.00 130.44 1xwn n PRO 67 Ca -0.02 -2.26 -0.01 0.00 -0.04 0.00 0.00 63.50 61.17 1xwn n PRO 67 Cb 0.54 -2.67 -0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1xwn n PRO 67 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1xwn n THR 68 N 3.12 1.20 0.00 0.52 -1.04 -1.26 -4.93 114.28 111.88 1xwn n THR 68 Ca 0.72 0.36 0.00 0.00 -2.04 0.00 0.00 64.05 63.09 1xwn n THR 68 Cb 0.31 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 1xwn n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xwn n GLY 69 N 3.29 1.95 0.13 3.41 0.00 -1.26 -5.03 105.19 107.68 1xwn n GLY 69 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.95 1xwn n GLY 69 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xwn n THR 70 N -0.79 0.39 0.00 2.61 5.66 -1.26 -5.08 114.28 115.81 1xwn n THR 70 Ca 0.00 -0.14 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 1xwn n THR 70 Cb 0.00 -0.85 0.00 0.00 -1.55 0.00 0.00 70.33 67.93 1xwn n THR 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xwn n GLY 71 N 3.10 2.95 1.76 1.09 0.00 -1.26 -4.85 105.19 107.98 1xwn n GLY 71 Ca -0.12 -0.68 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 1xwn n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwn n ARG 72 N 0.00 2.74 -3.96 1.61 3.00 -1.26 -4.97 116.66 113.82 1xwn n ARG 72 Ca 0.00 -3.78 -0.31 0.00 -0.01 0.00 0.00 57.85 53.75 1xwn n ARG 72 Cb 0.00 -1.93 -0.15 0.00 0.00 0.00 0.00 32.46 30.38 1xwn n ARG 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1xwn s GLY 73 N -3.46 1.95 -0.33 -0.13 0.00 -1.26 -5.06 107.32 99.03 1xwn s GLY 73 Ca 0.44 -2.62 0.02 0.00 0.00 0.00 0.00 44.72 42.56 1xwn s GLY 73 CO -0.01 1.05 0.07 -0.32 0.00 0.00 0.00 173.10 173.90 1xwn s GLY 74 N 0.68 1.56 0.24 0.20 0.00 -1.26 -4.69 107.32 104.05 1xwn s GLY 74 Ca 0.13 -2.16 0.07 0.00 0.00 0.00 0.00 44.72 42.75 1xwn s GLY 74 CO -0.08 1.24 0.19 0.00 0.00 0.00 0.00 173.10 174.46 1xwn s ALA 75 N 1.21 3.59 0.10 3.20 0.00 -1.26 -4.86 121.76 123.75 1xwn s ALA 75 Ca 0.11 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1xwn s ALA 75 Cb -0.18 -1.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 1xwn s ALA 75 CO -0.16 0.29 -0.07 0.45 0.00 0.00 0.00 175.76 176.26 1xwn s SER 76 N -3.74 1.25 0.43 0.00 0.15 -0.67 -4.85 113.70 106.27 1xwn s SER 76 Ca 0.33 -0.97 0.13 0.00 0.70 0.00 0.00 55.95 56.13 1xwn s SER 76 Cb -0.08 0.07 1.01 0.00 -1.71 0.00 0.00 66.02 65.31 1xwn s SER 76 CO 0.25 -0.42 1.99 0.16 1.20 0.00 0.00 173.24 176.43 1xwn h ILE 77 N 3.05 0.93 -0.01 6.45 3.07 -1.97 -0.59 117.51 128.44 1xwn h ILE 77 Ca -0.36 -0.14 -0.15 0.00 1.55 0.00 0.00 64.86 65.76 1xwn h ILE 77 Cb 1.17 0.47 -0.02 0.00 -0.27 0.00 0.00 36.82 38.18 1xwn h ILE 77 CO 0.63 0.08 -0.68 1.88 -1.05 0.00 0.00 178.15 179.00 1xwn h TYR 78 N 0.42 0.09 0.00 0.16 0.05 -2.00 -3.49 116.97 112.19 1xwn h TYR 78 Ca 0.25 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.99 1xwn h TYR 78 Cb 0.45 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.18 1xwn h TYR 78 CO -0.00 0.72 0.00 0.41 -1.05 0.00 0.00 178.16 178.24 1xwn n GLY 79 N 0.42 0.05 0.14 3.88 0.00 -0.23 -4.96 105.19 104.49 1xwn n GLY 79 Ca -0.02 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.44 1xwn n GLY 79 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xwn h LYS 80 N 0.31 -0.25 -3.15 1.61 1.63 -1.92 -1.76 116.57 113.04 1xwn h LYS 80 Ca 0.00 0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1xwn h LYS 80 Cb 0.00 0.06 -0.13 0.00 -0.60 0.00 0.00 32.23 31.56 1xwn h LYS 80 CO 0.00 -0.02 0.06 1.14 -3.45 0.00 0.00 179.45 177.18 1xwn s GLN 81 N -5.37 1.15 0.33 1.90 1.03 -1.26 -4.56 119.66 112.88 1xwn s GLN 81 Ca -0.15 -0.55 0.01 0.00 0.04 0.00 0.00 55.36 54.72 1xwn s GLN 81 Cb 0.04 0.52 -0.01 0.00 0.03 0.00 0.00 33.01 33.58 1xwn s GLN 81 CO 0.62 -0.47 0.37 -0.59 -2.54 0.00 0.00 175.29 172.69 1xwn s PHE 82 N -3.60 1.33 0.06 9.60 -0.71 -1.26 -4.92 117.98 118.48 1xwn s PHE 82 Ca 0.01 -1.44 -0.30 0.00 -1.04 0.00 0.00 56.93 54.16 1xwn s PHE 82 Cb 0.00 -0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 41.40 1xwn s PHE 82 CO -0.11 -1.00 1.17 -1.21 -1.34 0.00 0.00 175.22 172.73 1xwn s GLU 83 N -3.30 4.45 0.87 1.99 2.02 -1.26 -3.78 118.70 119.68 1xwn s GLU 83 Ca 0.35 1.72 -0.11 0.00 0.02 0.00 0.00 54.97 56.96 1xwn s GLU 83 Cb 0.01 -3.36 0.12 0.00 0.10 0.00 0.00 34.13 31.00 1xwn s GLU 83 CO 0.22 -0.22 1.11 0.34 0.02 0.00 0.00 175.26 176.74 1xwn s ASP 84 N 1.02 3.51 -0.07 -0.19 2.15 -1.26 -5.01 116.67 116.83 1xwn s ASP 84 Ca 0.58 1.93 0.02 0.00 0.43 0.00 0.00 52.55 55.50 1xwn s ASP 84 Cb -0.28 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 39.82 1xwn s ASP 84 CO 0.29 -2.68 -0.10 -0.70 -0.17 0.00 0.00 175.17 171.81 1xwn s GLU 85 N -4.77 2.73 -0.11 4.34 2.56 -1.26 -5.11 118.70 117.07 1xwn s GLU 85 Ca 0.64 -0.60 0.03 0.00 0.00 0.00 0.00 54.97 55.04 1xwn s GLU 85 Cb -0.20 -2.53 0.01 0.00 2.00 0.00 0.00 34.13 33.40 1xwn s GLU 85 CO 0.57 0.62 -0.21 -0.51 -0.56 0.00 0.00 175.26 175.17 1xwn s LEU 86 N -0.69 2.02 0.26 2.70 1.43 -1.26 -4.66 118.68 118.48 1xwn s LEU 86 Ca 0.10 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.37 1xwn s LEU 86 Cb -0.11 -1.34 -0.10 0.00 0.03 0.00 0.00 46.19 44.67 1xwn s LEU 86 CO 0.01 0.10 1.42 -1.38 0.23 0.00 0.00 176.35 176.74 1xwn s HIS 87 N 0.62 3.02 0.14 0.29 -3.43 -1.26 -4.94 115.29 109.73 1xwn s HIS 87 Ca -0.13 1.08 -0.06 0.00 -0.80 0.00 0.00 55.06 55.15 1xwn s HIS 87 Cb -0.17 -3.80 -0.05 0.00 -1.43 0.00 0.00 32.58 27.14 1xwn s HIS 87 CO 0.03 -2.54 1.36 -1.00 -2.00 0.00 0.00 174.74 170.59 1xwn h PRO 88 N 4.83 0.55 -0.83 -0.38 0.13 -2.00 -3.44 132.00 130.86 1xwn h PRO 88 Ca -0.46 -0.47 0.11 0.00 -0.87 0.00 0.00 66.00 64.30 1xwn h PRO 88 Cb 1.22 0.11 -0.21 0.00 0.13 0.00 0.00 31.00 32.25 1xwn h PRO 88 CO 0.76 1.10 -0.21 0.16 -0.23 0.00 0.00 178.00 179.58 1xwn s ASP 89 N -7.05 -1.22 0.35 1.44 -4.77 -1.26 -5.17 116.67 98.99 1xwn s ASP 89 Ca -0.07 0.54 -0.04 0.00 -3.30 0.00 0.00 52.55 49.68 1xwn s ASP 89 Cb 0.09 1.93 0.01 0.00 -1.09 0.00 0.00 42.92 43.87 1xwn s ASP 89 CO 0.87 -0.23 0.53 -0.76 0.70 0.00 0.00 175.17 176.28 1xwn s LEU 90 N 2.88 0.87 0.24 2.11 1.43 -1.26 -5.19 118.68 119.76 1xwn s LEU 90 Ca 0.15 -1.45 0.09 0.00 -1.03 0.00 0.00 54.13 51.89 1xwn s LEU 90 Cb -0.12 1.68 -0.05 0.00 0.03 0.00 0.00 46.19 47.73 1xwn s LEU 90 CO -0.21 -1.37 -0.14 -0.75 0.23 0.00 0.00 176.35 174.12 1xwn s LYS 91 N -2.91 1.46 -0.46 1.70 2.20 -1.26 -5.10 119.74 115.37 1xwn s LYS 91 Ca 0.28 -1.68 0.05 0.00 -0.36 0.00 0.00 55.97 54.27 1xwn s LYS 91 Cb -0.01 -1.30 0.20 0.00 -1.51 0.00 0.00 37.83 35.21 1xwn s LYS 91 CO 0.19 0.19 0.44 0.34 -0.36 0.00 0.00 175.35 176.16 1xwn n PHE 92 N -0.48 0.13 0.17 4.03 -0.00 -1.26 -4.95 117.46 115.09 1xwn n PHE 92 Ca -0.07 -3.57 0.16 0.00 -0.00 0.00 0.00 57.45 53.97 1xwn n PHE 92 Cb 0.61 -0.09 0.76 0.00 -0.00 0.00 0.00 39.48 40.77 1xwn n PHE 92 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 1xwn h THR 93 N 3.74 0.64 0.00 -2.13 2.02 -1.96 -3.32 112.91 111.90 1xwn h THR 93 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1xwn h THR 93 Cb 0.86 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.13 1xwn h THR 93 CO 0.48 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.98 1xwn n GLY 94 N -1.48 2.65 3.63 2.16 0.00 -1.26 -4.04 105.19 106.85 1xwn n GLY 94 Ca 0.02 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1xwn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwn s ALA 95 N 0.00 3.29 -0.42 4.61 0.00 -1.22 -2.99 121.76 125.03 1xwn s ALA 95 Ca 0.00 0.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.16 1xwn s ALA 95 Cb 0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 23.12 19.28 1xwn s ALA 95 CO 0.00 -1.92 0.38 0.41 0.00 0.00 0.00 175.76 174.63 1xwn n GLY 96 N 4.54 -0.31 3.25 0.00 0.00 0.07 -4.95 105.19 107.81 1xwn n GLY 96 Ca 0.17 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 46.14 1xwn n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwn s ILE 97 N -3.11 1.26 -0.31 -0.61 -1.09 -1.07 -2.65 121.20 113.62 1xwn s ILE 97 Ca 0.12 -1.98 -0.02 0.00 -2.23 0.00 0.00 60.65 56.54 1xwn s ILE 97 Cb -0.02 -1.77 0.11 0.00 -1.58 0.00 0.00 42.46 39.20 1xwn s ILE 97 CO 0.34 -0.65 0.14 -0.76 -1.23 0.00 0.00 174.94 172.78 1xwn s LEU 98 N -2.99 1.14 -0.12 2.97 1.43 -0.67 -2.65 118.68 117.79 1xwn s LEU 98 Ca 0.15 -1.60 -0.04 0.00 -1.03 0.00 0.00 54.13 51.60 1xwn s LEU 98 Cb 0.00 -0.52 -0.03 0.00 0.03 0.00 0.00 46.19 45.67 1xwn s LEU 98 CO 0.02 -0.40 0.03 0.00 0.23 0.00 0.00 176.35 176.22 1xwn s ALA 99 N 1.71 3.34 -0.19 4.21 0.00 -1.19 -0.08 121.76 129.55 1xwn s ALA 99 Ca 0.11 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 51.01 1xwn s ALA 99 Cb -0.18 -1.65 0.00 0.00 0.00 0.00 0.00 23.12 21.29 1xwn s ALA 99 CO -0.25 0.44 1.04 1.41 0.00 0.00 0.00 175.76 178.40 1xwn s MET 100 N -0.41 4.30 0.52 0.00 1.75 0.20 -3.05 119.30 122.61 1xwn s MET 100 Ca 0.08 1.39 0.06 0.00 -1.25 0.00 0.00 55.69 55.97 1xwn s MET 100 Cb -0.12 -3.62 0.02 0.00 2.84 0.00 0.00 34.83 33.95 1xwn s MET 100 CO 0.02 -0.55 0.38 0.00 -0.65 0.00 0.00 175.02 174.22 1xwn s ALA 101 N 2.89 4.32 0.25 4.11 0.00 -1.19 -2.92 121.76 129.22 1xwn s ALA 101 Ca 0.46 -1.40 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1xwn s ALA 101 Cb -0.16 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 1xwn s ALA 101 CO 0.10 -0.40 0.19 0.54 0.00 0.00 0.00 175.76 176.19 1xwn s ASN 102 N -4.23 0.79 -0.14 0.00 4.22 -1.26 -4.53 114.94 109.78 1xwn s ASN 102 Ca 0.36 -1.53 0.04 0.00 -2.14 0.00 0.00 52.86 49.59 1xwn s ASN 102 Cb -0.02 0.44 -0.23 0.00 1.28 0.00 0.00 41.25 42.72 1xwn s ASN 102 CO 0.22 -0.92 0.26 0.00 -2.04 0.00 0.00 177.10 174.62 1xwn n ALA 103 N -0.42 1.27 -3.32 3.54 0.00 -1.14 -5.04 120.51 115.40 1xwn n ALA 103 Ca 0.04 -0.88 -0.09 0.00 0.00 0.00 0.00 53.44 52.51 1xwn n ALA 103 Cb 0.65 -0.51 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1xwn n ALA 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xwn s GLY 104 N -5.66 0.19 -0.04 0.00 0.00 -1.22 -5.06 107.32 95.54 1xwn s GLY 104 Ca -0.19 -0.54 -0.36 0.00 0.00 0.00 0.00 44.72 43.64 1xwn s GLY 104 CO 0.76 -0.41 1.69 -1.05 0.00 0.00 0.00 173.10 174.09 1xwn n PRO 105 N -0.37 1.79 -2.33 2.90 -0.02 -1.26 -0.61 135.00 135.10 1xwn n PRO 105 Ca -0.05 0.65 -0.20 0.00 -2.02 0.00 0.00 63.50 61.87 1xwn n PRO 105 Cb 0.62 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 1xwn n PRO 105 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xwn n ASP 106 N 4.94 -5.76 -3.65 2.55 9.92 -1.26 -4.95 116.55 118.34 1xwn n ASP 106 Ca 0.21 0.04 -0.29 0.00 -0.53 0.00 0.00 54.79 54.22 1xwn n ASP 106 Cb 0.24 -4.82 -0.13 0.00 -0.64 0.00 0.00 41.12 35.77 1xwn n ASP 106 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1xwn s THR 107 N -2.99 1.11 0.04 -3.53 2.01 0.22 -4.20 115.64 108.30 1xwn s THR 107 Ca 0.00 -2.37 -0.04 0.00 0.31 0.00 0.00 61.69 59.60 1xwn s THR 107 Cb 0.00 -1.79 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 1xwn s THR 107 CO 0.00 -0.92 0.24 0.20 -0.69 0.00 0.00 174.62 173.46 1xwn s ASN 108 N 0.51 6.42 0.00 3.53 0.02 -1.25 -2.89 114.94 121.28 1xwn s ASN 108 Ca 0.18 0.43 0.00 0.00 -1.02 0.00 0.00 52.86 52.45 1xwn s ASN 108 Cb -0.24 -2.03 0.00 0.00 0.02 0.00 0.00 41.25 39.00 1xwn s ASN 108 CO 0.00 0.21 0.00 0.61 0.02 0.00 0.00 177.10 177.94 1xwn n GLY 109 N 0.71 2.28 2.71 0.66 0.00 -1.26 -4.42 105.19 105.86 1xwn n GLY 109 Ca -0.08 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.68 1xwn n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xwn n SER 110 N 0.00 -0.36 -4.63 1.61 7.64 -1.26 -4.89 113.62 111.72 1xwn n SER 110 Ca 0.00 -2.38 -0.31 0.00 1.01 0.00 0.00 58.87 57.19 1xwn n SER 110 Cb 0.00 0.29 -0.09 0.00 -1.01 0.00 0.00 64.21 63.40 1xwn n SER 110 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xwn s GLN 111 N -1.35 2.46 -0.14 1.43 0.74 -1.26 -3.65 119.66 117.89 1xwn s GLN 111 Ca 0.21 -0.84 -0.09 0.00 0.05 0.00 0.00 55.36 54.69 1xwn s GLN 111 Cb 0.41 -2.48 0.05 0.00 1.10 0.00 0.00 33.01 32.09 1xwn s GLN 111 CO -0.06 0.55 0.35 -0.06 -0.55 0.00 0.00 175.29 175.53 1xwn s PHE 112 N -1.19 -0.48 -0.17 1.67 0.08 -1.20 -3.20 117.98 113.49 1xwn s PHE 112 Ca 0.22 1.07 -0.04 0.00 0.12 0.00 0.00 56.93 58.30 1xwn s PHE 112 Cb -0.11 0.18 -0.02 0.00 -0.57 0.00 0.00 43.02 42.49 1xwn s PHE 112 CO 0.14 -0.28 -0.04 -0.59 -0.10 0.00 0.00 175.22 174.35 1xwn s PHE 113 N 1.11 2.99 -0.29 0.36 -0.71 -1.17 -1.11 117.98 119.16 1xwn s PHE 113 Ca -0.08 -0.48 -0.11 0.00 -1.04 0.00 0.00 56.93 55.22 1xwn s PHE 113 Cb -0.08 -2.00 -0.04 0.00 -1.21 0.00 0.00 43.02 39.69 1xwn s PHE 113 CO -0.09 -0.19 0.21 0.14 -1.34 0.00 0.00 175.22 173.95 1xwn s VAL 114 N 0.69 5.30 0.13 -2.49 -7.23 0.96 -3.16 120.40 114.60 1xwn s VAL 114 Ca -0.02 0.12 -0.18 0.00 -1.81 0.00 0.00 61.98 60.09 1xwn s VAL 114 Cb -0.15 -3.57 -0.07 0.00 0.56 0.00 0.00 36.38 33.16 1xwn s VAL 114 CO 0.02 0.20 0.60 0.42 -0.31 0.00 0.00 175.10 176.03 1xwn s THR 115 N 1.77 4.74 -0.04 5.32 -4.23 -1.08 -0.83 115.64 121.28 1xwn s THR 115 Ca 0.07 1.11 0.06 0.00 -1.18 0.00 0.00 61.69 61.75 1xwn s THR 115 Cb -0.16 -3.84 -0.09 0.00 1.34 0.00 0.00 72.50 69.74 1xwn s THR 115 CO 0.11 0.38 0.09 0.18 -0.54 0.00 0.00 174.62 174.84 1xwn n LEU 116 N 1.21 0.00 -4.83 4.79 7.99 -0.09 -0.75 117.00 125.34 1xwn n LEU 116 Ca -0.07 0.00 -0.22 0.00 -0.01 0.00 0.00 56.01 55.71 1xwn n LEU 116 Cb 0.51 0.08 -0.04 0.00 -0.11 0.00 0.00 43.42 43.86 1xwn n LEU 116 CO 0.42 0.08 -0.14 0.00 -1.51 0.00 0.00 177.39 176.24 1xwn s ALA 117 N -2.32 3.68 -0.26 -1.18 0.00 -1.20 -3.81 121.76 116.66 1xwn s ALA 117 Ca -0.03 -1.56 -0.29 0.00 0.00 0.00 0.00 51.96 50.09 1xwn s ALA 117 Cb 0.03 -1.19 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 1xwn s ALA 117 CO 0.28 0.13 1.75 -1.25 0.00 0.00 0.00 175.76 176.67 1xwn s PRO 118 N -3.91 3.55 -0.41 0.00 0.04 -1.26 -3.38 135.00 129.63 1xwn s PRO 118 Ca 0.37 1.60 0.05 0.00 0.04 0.00 0.00 61.00 63.06 1xwn s PRO 118 Cb -0.07 -4.14 0.20 0.00 0.04 0.00 0.00 34.50 30.53 1xwn s PRO 118 CO 0.25 -1.60 0.42 0.25 0.04 0.00 0.00 177.00 176.36 1xwn n THR 119 N 6.96 -0.99 0.08 1.26 -2.24 -1.26 -4.95 114.28 113.14 1xwn n THR 119 Ca 0.21 -3.44 -0.13 0.00 -2.27 0.00 0.00 64.05 58.43 1xwn n THR 119 Cb 0.46 -1.55 -0.05 0.00 -2.10 0.00 0.00 70.33 67.08 1xwn n THR 119 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1xwn h GLN 120 N 5.09 0.33 -0.03 -0.78 4.20 -1.87 -3.21 115.11 118.84 1xwn h GLN 120 Ca 0.19 -0.38 0.01 0.00 0.06 0.00 0.00 58.65 58.53 1xwn h GLN 120 Cb 0.91 0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.81 1xwn h GLN 120 CO 0.38 1.08 0.02 0.11 -0.67 0.00 0.00 178.83 179.75 1xwn h TRP 121 N 0.17 0.00 -0.00 2.96 0.09 -1.93 0.04 115.95 117.29 1xwn h TRP 121 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.90 1xwn h TRP 121 Cb 1.63 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.87 1xwn h TRP 121 CO 0.05 0.00 -0.02 1.28 0.09 0.00 0.00 178.44 179.85 1xwn n LEU 122 N -4.31 0.18 -3.37 0.11 4.77 -1.21 -4.33 117.00 108.84 1xwn n LEU 122 Ca -0.02 0.05 -0.39 0.00 -0.03 0.00 0.00 56.01 55.61 1xwn n LEU 122 Cb 0.11 -0.11 -0.02 0.00 -2.33 0.00 0.00 43.42 41.07 1xwn n LEU 122 CO 0.32 0.03 3.12 -0.67 -1.33 0.00 0.00 177.39 178.86 1xwn n ASP 123 N -0.99 8.49 0.04 -1.43 2.03 0.00 -3.79 116.55 120.90 1xwn n ASP 123 Ca 0.19 -2.74 0.00 0.00 0.52 0.00 0.00 54.79 52.77 1xwn n ASP 123 Cb 0.19 -1.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.08 1xwn n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xwn n GLY 124 N 3.07 -0.58 0.23 0.27 0.00 -1.26 -4.91 105.19 102.01 1xwn n GLY 124 Ca 0.74 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1xwn n GLY 124 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xwn h LYS 125 N 0.00 0.29 -6.83 1.61 2.10 -1.88 -3.43 116.57 108.43 1xwn h LYS 125 Ca 0.00 -0.09 -0.69 0.00 -2.00 0.00 0.00 60.65 57.88 1xwn h LYS 125 Cb 0.00 -0.03 -0.22 0.00 -0.90 0.00 0.00 32.23 31.08 1xwn h LYS 125 CO 0.00 0.49 -0.85 -1.01 -2.00 0.00 0.00 179.45 176.07 1xwn s HIS 126 N -4.58 2.37 0.32 0.07 3.76 -1.26 -4.97 115.29 111.01 1xwn s HIS 126 Ca -0.06 -0.35 0.05 0.00 -0.15 0.00 0.00 55.06 54.56 1xwn s HIS 126 Cb 0.15 -1.30 -0.01 0.00 1.11 0.00 0.00 32.58 32.52 1xwn s HIS 126 CO 0.75 0.31 0.46 0.99 -0.85 0.00 0.00 174.74 176.40 1xwn s THR 127 N -1.03 4.40 0.92 1.30 2.01 -1.15 -4.78 115.64 117.31 1xwn s THR 127 Ca 0.14 -0.94 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 1xwn s THR 127 Cb -0.10 -3.54 0.21 0.00 0.01 0.00 0.00 72.50 69.08 1xwn s THR 127 CO 0.06 -0.23 1.22 -0.38 -0.69 0.00 0.00 174.62 174.61 1xwn n ILE 128 N -1.62 0.00 0.00 1.82 2.08 -1.26 0.59 119.36 120.97 1xwn n ILE 128 Ca -0.02 -0.88 0.00 0.00 0.56 0.00 0.00 62.75 62.40 1xwn n ILE 128 Cb 0.58 -1.53 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 1xwn n ILE 128 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 1xwn n PHE 129 N -3.77 0.00 -4.00 1.39 1.16 -0.91 -3.55 117.46 107.78 1xwn n PHE 129 Ca 0.15 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.64 1xwn n PHE 129 Cb 0.54 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.36 1xwn n PHE 129 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1xwn s GLY 130 N -0.57 0.57 0.19 4.97 0.00 0.88 -3.00 107.32 110.36 1xwn s GLY 130 Ca 0.00 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 43.90 1xwn s GLY 130 CO 0.00 -0.63 -0.15 -1.60 0.00 0.00 0.00 173.10 170.72 1xwn s ARG 131 N -3.95 1.29 -0.49 2.90 3.00 -0.81 -1.67 118.95 119.22 1xwn s ARG 131 Ca 0.23 -1.54 0.00 0.00 -1.00 0.00 0.00 55.73 53.42 1xwn s ARG 131 Cb -0.01 -1.12 0.13 0.00 0.00 0.00 0.00 34.95 33.95 1xwn s ARG 131 CO 0.10 0.19 0.27 0.08 0.00 0.00 0.00 175.30 175.93 1xwn s VAL 132 N -2.82 3.07 -0.13 7.11 1.01 -1.08 -3.12 120.40 124.44 1xwn s VAL 132 Ca 0.21 -2.71 -0.10 0.00 0.00 0.00 0.00 61.98 59.38 1xwn s VAL 132 Cb -0.02 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1xwn s VAL 132 CO 0.06 -0.76 -0.19 0.00 0.00 0.00 0.00 175.10 174.21 1xwn s GLN 134 N -2.22 2.20 0.00 0.00 -0.21 -1.24 -4.54 119.66 113.65 1xwn s GLN 134 Ca -0.16 -1.94 0.00 0.00 0.02 0.00 0.00 55.36 53.28 1xwn s GLN 134 Cb 0.02 -3.68 0.00 0.00 1.00 0.00 0.00 33.01 30.35 1xwn s GLN 134 CO 0.23 -1.12 0.00 0.41 -2.12 0.00 0.00 175.29 172.70 1xwn n GLY 135 N 4.45 0.28 0.44 3.09 0.00 -1.26 0.73 105.19 112.91 1xwn n GLY 135 Ca -0.01 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.28 1xwn n GLY 135 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xwn h ILE 136 N 0.00 0.45 -0.41 -0.61 2.10 -1.82 0.18 117.51 117.39 1xwn h ILE 136 Ca 0.00 -0.10 -0.09 0.00 1.08 0.00 0.00 64.86 65.75 1xwn h ILE 136 Cb 0.00 0.14 -0.02 0.00 -1.09 0.00 0.00 36.82 35.86 1xwn h ILE 136 CO 0.00 0.05 -0.12 1.23 -1.08 0.00 0.00 178.15 178.23 1xwn h GLY 137 N 0.28 0.80 2.00 8.18 0.00 -1.95 -0.64 103.07 111.74 1xwn h GLY 137 Ca 0.62 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1xwn h GLY 137 CO -0.26 0.56 0.00 1.98 0.00 0.00 0.00 176.54 178.82 1xwn h MET 138 N 0.67 0.00 0.11 4.80 1.85 -1.10 -3.03 114.93 118.24 1xwn h MET 138 Ca 0.11 0.00 -0.32 0.00 -0.61 0.00 0.00 59.70 58.88 1xwn h MET 138 Cb 0.60 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.61 1xwn h MET 138 CO 0.04 0.00 -1.73 0.28 -0.40 0.00 0.00 176.91 175.10 1xwn h VAL 139 N 0.00 0.80 -0.04 -5.77 2.07 -0.94 -3.38 116.25 108.99 1xwn h VAL 139 Ca 0.00 -2.35 -0.12 0.00 0.82 0.00 0.00 66.70 65.05 1xwn h VAL 139 Cb 0.82 2.55 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1xwn h VAL 139 CO 0.00 0.77 -0.52 -0.55 0.02 0.00 0.00 177.57 177.29 1xwn h ASN 140 N -0.16 0.10 -0.71 0.57 7.08 -1.22 -3.08 115.58 118.16 1xwn h ASN 140 Ca -0.38 -0.05 0.17 0.00 -3.08 0.00 0.00 56.30 52.97 1xwn h ASN 140 Cb 1.88 -0.03 -0.04 0.00 -2.08 0.00 0.00 38.32 38.05 1xwn h ASN 140 CO 0.05 0.60 0.49 0.08 -2.08 0.00 0.00 177.43 176.58 1xwn h ARG 141 N 0.08 0.20 -0.51 4.14 0.11 -1.70 0.35 114.38 117.04 1xwn h ARG 141 Ca -0.00 -0.01 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 1xwn h ARG 141 Cb 0.94 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.95 1xwn h ARG 141 CO 0.07 0.13 0.13 0.28 0.10 0.00 0.00 179.97 180.69 1xwn h VAL 142 N 0.20 1.21 0.00 0.08 2.07 -1.73 -1.75 116.25 116.34 1xwn h VAL 142 Ca 0.35 -0.76 -0.20 0.00 0.82 0.00 0.00 66.70 66.91 1xwn h VAL 142 Cb 1.07 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 1xwn h VAL 142 CO -0.07 0.28 -1.05 1.23 0.02 0.00 0.00 177.57 177.98 1xwn h GLY 143 N 0.93 0.00 2.00 2.17 0.00 -1.14 -3.30 103.07 103.74 1xwn h GLY 143 Ca 0.17 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 1xwn h GLY 143 CO -0.00 0.00 -0.25 -0.33 0.00 0.00 0.00 176.54 175.95 1xwn h MET 144 N 0.00 0.00 -1.00 4.80 2.86 -0.98 -3.21 114.93 117.40 1xwn h MET 144 Ca -0.06 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.48 1xwn h MET 144 Cb 1.74 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.34 1xwn h MET 144 CO 0.11 0.25 0.13 1.55 1.06 0.00 0.00 176.91 180.01 1xwn n VAL 145 N -3.30 1.42 -1.15 -2.22 3.14 -0.68 -5.00 118.33 110.53 1xwn n VAL 145 Ca 0.01 -0.38 0.15 0.00 -2.96 0.00 0.00 64.34 61.16 1xwn n VAL 145 Cb 0.50 -0.88 -0.05 0.00 -1.06 0.00 0.00 33.84 32.36 1xwn n VAL 145 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1xwn n GLU 146 N 0.17 -2.42 -4.02 1.45 2.13 -1.21 -4.63 120.64 112.10 1xwn n GLU 146 Ca 0.12 1.71 -0.11 0.00 0.66 0.00 0.00 57.16 59.54 1xwn n GLU 146 Cb 0.73 -2.91 -0.04 0.00 0.27 0.00 0.00 31.44 29.48 1xwn n GLU 146 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1xwn s THR 147 N -2.53 0.00 0.51 6.31 -4.23 -1.26 -4.17 115.64 110.27 1xwn s THR 147 Ca 0.00 -1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 1xwn s THR 147 Cb 0.00 -2.43 0.11 0.00 1.34 0.00 0.00 72.50 71.51 1xwn s THR 147 CO 0.00 0.00 0.70 -3.20 -0.54 0.00 0.00 174.62 171.58 1xwn n ASN 148 N -0.83 0.71 -1.66 3.99 2.85 -0.58 -4.95 115.26 114.79 1xwn n ASN 148 Ca -0.01 -1.65 -0.12 0.00 -0.11 0.00 0.00 54.58 52.69 1xwn n ASN 148 Cb 0.62 -0.48 0.12 0.00 1.24 0.00 0.00 39.78 41.28 1xwn n ASN 148 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1xwn n SER 149 N -3.07 3.46 -1.19 1.20 7.64 -1.26 -3.80 113.62 116.60 1xwn n SER 149 Ca 0.11 -2.88 -0.02 0.00 1.01 0.00 0.00 58.87 57.09 1xwn n SER 149 Cb 0.38 -0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 62.87 1xwn n SER 149 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwn n GLN 150 N -0.36 0.00 -3.64 1.43 6.02 -1.26 -5.00 117.38 114.57 1xwn n GLN 150 Ca 0.32 -1.41 -0.23 0.00 -0.01 0.00 0.00 57.00 55.67 1xwn n GLN 150 Cb 1.13 0.23 0.06 0.00 1.02 0.00 0.00 30.24 32.68 1xwn n GLN 150 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1xwn n ASP 151 N 0.22 -4.00 -4.48 1.08 -0.08 -1.25 -5.00 116.55 103.04 1xwn n ASP 151 Ca -0.11 -0.66 -0.31 0.00 -1.51 0.00 0.00 54.79 52.20 1xwn n ASP 151 Cb 0.89 -4.64 -0.12 0.00 2.34 0.00 0.00 41.12 39.59 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1xwn s ARG 152 N -6.08 2.18 0.28 -0.67 0.52 -1.26 -3.57 118.95 110.35 1xwn s ARG 152 Ca 0.35 -0.92 -0.29 0.00 -0.52 0.00 0.00 55.73 54.35 1xwn s ARG 152 Cb -0.16 -2.25 -0.09 0.00 0.52 0.00 0.00 34.95 32.97 1xwn s ARG 152 CO 0.77 0.56 1.03 -1.25 0.02 0.00 0.00 175.30 176.43 1xwn s PRO 153 N -1.36 4.68 0.08 3.54 0.04 -1.26 -1.53 135.00 139.19 1xwn s PRO 153 Ca 0.15 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.82 1xwn s PRO 153 Cb -0.11 -3.16 -0.27 0.00 0.04 0.00 0.00 34.50 31.00 1xwn s PRO 153 CO 0.05 0.30 1.15 0.28 0.04 0.00 0.00 177.00 178.82 1xwn h VAL 154 N 3.04 1.52 -3.16 -0.36 2.07 -1.82 -3.47 116.25 114.07 1xwn h VAL 154 Ca -0.46 -3.11 -0.05 0.00 0.82 0.00 0.00 66.70 63.90 1xwn h VAL 154 Cb 1.21 2.92 0.01 0.00 -1.52 0.00 0.00 31.29 33.91 1xwn h VAL 154 CO 0.67 0.90 0.02 -0.67 0.02 0.00 0.00 177.57 178.51 1xwn n ASP 155 N -3.50 0.11 -4.08 0.57 -0.08 -1.26 -5.07 116.55 103.24 1xwn n ASP 155 Ca -0.07 -1.10 -0.35 0.00 -1.51 0.00 0.00 54.79 51.76 1xwn n ASP 155 Cb 1.01 -0.08 -0.12 0.00 2.34 0.00 0.00 41.12 44.28 1xwn n ASP 155 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1xwn s ASP 156 N -1.44 5.09 -0.27 1.67 1.11 -1.26 -5.06 116.67 116.51 1xwn s ASP 156 Ca 0.07 -2.35 0.00 0.00 0.18 0.00 0.00 52.55 50.45 1xwn s ASP 156 Cb -0.00 -1.79 0.05 0.00 1.07 0.00 0.00 42.92 42.25 1xwn s ASP 156 CO 0.05 -0.45 -0.06 0.54 1.18 0.00 0.00 175.17 176.43 1xwn s VAL 157 N 0.66 2.62 0.27 -1.27 0.11 -1.26 -4.42 120.40 117.12 1xwn s VAL 157 Ca 0.12 -1.40 -0.03 0.00 -2.93 0.00 0.00 61.98 57.74 1xwn s VAL 157 Cb -0.22 -2.47 -0.02 0.00 -1.53 0.00 0.00 36.38 32.14 1xwn s VAL 157 CO -0.04 0.01 0.34 -1.59 -3.33 0.00 0.00 175.10 170.48 1xwn s LYS 158 N 1.21 1.57 -0.20 1.54 -2.85 -1.26 -3.20 119.74 116.54 1xwn s LYS 158 Ca -0.05 -1.62 -0.06 0.00 -1.00 0.00 0.00 55.97 53.24 1xwn s LYS 158 Cb -0.19 0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 35.93 1xwn s LYS 158 CO -0.04 -0.61 0.03 0.42 0.10 0.00 0.00 175.35 175.26 1xwn s ILE 159 N -3.71 4.33 -0.13 3.79 1.01 -0.79 0.39 121.20 126.09 1xwn s ILE 159 Ca 0.32 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.86 1xwn s ILE 159 Cb 0.02 -2.96 -0.13 0.00 0.01 0.00 0.00 42.46 39.40 1xwn s ILE 159 CO 0.16 0.42 -0.03 2.30 0.00 0.00 0.00 174.94 177.80 1xwn n ILE 160 N 4.06 0.85 -4.03 2.92 -5.35 -1.19 -2.02 119.36 114.60 1xwn n ILE 160 Ca -0.17 -0.44 -0.10 0.00 -0.27 0.00 0.00 62.75 61.77 1xwn n ILE 160 Cb 0.52 -0.82 -0.11 0.00 -1.74 0.00 0.00 39.64 37.49 1xwn n ILE 160 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1xwn s LYS 161 N -2.30 0.44 -0.26 6.28 1.02 0.81 -4.69 119.74 121.03 1xwn s LYS 161 Ca -0.12 -0.78 -0.05 0.00 0.02 0.00 0.00 55.97 55.04 1xwn s LYS 161 Cb 0.04 0.01 0.14 0.00 -0.52 0.00 0.00 37.83 37.50 1xwn s LYS 161 CO 0.44 -0.03 0.53 0.00 -0.92 0.00 0.00 175.35 175.37 1xwn s ALA 162 N -1.94 -1.71 0.20 5.17 0.00 -1.26 -1.93 121.76 120.29 1xwn s ALA 162 Ca -0.09 1.74 -0.15 0.00 0.00 0.00 0.00 51.96 53.46 1xwn s ALA 162 Cb -0.06 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.31 1xwn s ALA 162 CO -0.02 -1.06 0.48 1.52 0.00 0.00 0.00 175.76 176.68 1xwn s TYR 163 N 2.75 0.08 0.79 0.00 -0.85 -1.11 -4.43 117.35 114.58 1xwn s TYR 163 Ca 0.06 -0.43 -0.12 0.00 -0.52 0.00 0.00 57.07 56.06 1xwn s TYR 163 Cb -0.13 0.28 0.07 0.00 0.38 0.00 0.00 41.96 42.55 1xwn s TYR 163 CO -0.17 -0.91 1.16 -2.14 -1.52 0.00 0.00 175.55 171.97 1xwn s PRO 164 N -3.92 2.13 -0.34 -3.49 0.02 -1.26 -1.45 135.00 126.69 1xwn s PRO 164 Ca 0.13 0.19 -0.00 0.00 0.02 0.00 0.00 61.00 61.34 1xwn s PRO 164 Cb -0.00 -1.96 0.11 0.00 0.02 0.00 0.00 34.50 32.67 1xwn s PRO 164 CO 0.01 -1.49 0.14 0.45 -0.33 0.00 0.00 177.00 175.78 1xwn s SER 165 N -4.51 3.77 0.00 2.53 0.15 -0.79 -4.50 113.70 110.35 1xwn s SER 165 Ca 0.61 -1.87 0.30 0.00 0.70 0.00 0.00 55.95 55.70 1xwn s SER 165 Cb -0.11 -0.78 1.54 0.00 -1.71 0.00 0.00 66.02 64.95 1xwn s SER 165 CO 0.50 -0.38 2.02 0.61 1.20 0.00 0.00 173.24 177.19