#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwn n ALA 2 N 0.00 0.82 0.06 -5.12 0.00 -1.26 -5.08 120.51 109.93 1xwn n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xwn n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xwn n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwn n ALA 3 N -2.86 3.00 -3.48 0.00 0.00 -1.26 -5.08 120.51 110.82 1xwn n ALA 3 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 1xwn n ALA 3 Cb 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 19.45 19.34 1xwn n ALA 3 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1xwn s ILE 4 N -1.42 -0.23 0.18 0.00 -4.36 -1.26 -5.04 121.20 109.07 1xwn s ILE 4 Ca 0.00 -0.56 -0.14 0.00 -0.26 0.00 0.00 60.65 59.68 1xwn s ILE 4 Cb 0.00 -0.93 0.10 0.00 1.25 0.00 0.00 42.46 42.88 1xwn s ILE 4 CO 0.00 -0.56 1.70 -0.65 0.24 0.00 0.00 174.94 175.67 1xwn h PRO 5 N 8.34 0.14 -6.74 0.37 0.11 -2.00 -3.42 132.00 128.81 1xwn h PRO 5 Ca -0.17 -0.01 -0.50 0.00 0.11 0.00 0.00 66.00 65.44 1xwn h PRO 5 Cb 1.06 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1xwn h PRO 5 CO 0.38 0.09 0.39 -1.25 -0.21 0.00 0.00 178.00 177.40 1xwn s PRO 6 N -6.17 4.77 -0.06 1.05 0.04 -1.26 -5.06 135.00 128.31 1xwn s PRO 6 Ca -0.13 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.50 1xwn s PRO 6 Cb 0.15 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.44 1xwn s PRO 6 CO 0.72 0.37 -0.06 -0.51 0.04 0.00 0.00 177.00 177.57 1xwn s ASP 7 N -0.88 1.30 0.92 6.66 1.11 -1.26 -5.10 116.67 119.42 1xwn s ASP 7 Ca 0.43 -0.17 0.00 0.00 0.18 0.00 0.00 52.55 52.99 1xwn s ASP 7 Cb -0.27 -0.56 0.00 0.00 1.07 0.00 0.00 42.92 43.16 1xwn s ASP 7 CO 0.34 -0.06 0.00 -0.24 1.18 0.00 0.00 175.17 176.39 1xwn n SER 8 N 4.21 -5.48 -4.07 0.27 2.88 -1.26 -4.87 113.62 105.31 1xwn n SER 8 Ca -0.21 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.04 1xwn n SER 8 Cb 0.51 0.00 0.19 0.00 -0.75 0.00 0.00 64.21 64.16 1xwn n SER 8 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1xwn s TRP 9 N 0.00 1.34 -0.44 0.66 -2.14 -1.26 -5.05 118.94 112.05 1xwn s TRP 9 Ca 0.00 0.17 -0.08 0.00 2.66 0.00 0.00 56.10 58.85 1xwn s TRP 9 Cb 0.00 -4.09 0.11 0.00 -3.10 0.00 0.00 33.47 26.39 1xwn s TRP 9 CO 0.00 -2.70 0.29 -0.65 -2.66 0.00 0.00 176.95 171.23 1xwn s GLN 10 N -5.86 2.39 -0.32 3.25 -1.52 -1.26 -5.06 119.66 111.28 1xwn s GLN 10 Ca 0.75 -1.71 -0.28 0.00 -1.95 0.00 0.00 55.36 52.17 1xwn s GLN 10 Cb -0.03 -3.80 -0.02 0.00 -0.22 0.00 0.00 33.01 28.94 1xwn s GLN 10 CO 0.53 -1.11 1.76 -1.25 -0.25 0.00 0.00 175.29 174.97 1xwn s PRO 11 N 1.32 3.40 0.27 2.91 0.04 -1.26 -4.89 135.00 136.79 1xwn s PRO 11 Ca 0.06 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.58 1xwn s PRO 11 Cb -0.25 -4.17 0.37 0.00 0.04 0.00 0.00 34.50 30.49 1xwn s PRO 11 CO -0.01 -1.78 1.65 -1.00 0.04 0.00 0.00 177.00 175.90 1xwn h PRO 12 N 12.53 0.26 -5.74 0.56 0.13 -1.97 -3.45 132.00 134.31 1xwn h PRO 12 Ca -0.33 -0.14 -0.48 0.00 -0.87 0.00 0.00 66.00 64.17 1xwn h PRO 12 Cb 1.16 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 1xwn h PRO 12 CO 1.03 0.68 -0.78 1.21 -0.23 0.00 0.00 178.00 179.92 1xwn s ASN 13 N -6.88 2.40 0.02 1.44 3.84 -1.26 -2.34 114.94 112.16 1xwn s ASN 13 Ca -0.05 -0.83 0.04 0.00 0.21 0.00 0.00 52.86 52.23 1xwn s ASN 13 Cb 0.13 -0.12 -0.02 0.00 -0.55 0.00 0.00 41.25 40.69 1xwn s ASN 13 CO 0.78 -0.07 -0.11 0.54 -2.79 0.00 0.00 177.10 175.45 1xwn s VAL 14 N -2.03 0.85 -0.30 -5.21 0.11 -1.05 -3.75 120.40 109.01 1xwn s VAL 14 Ca 0.12 -0.74 -0.10 0.00 -2.93 0.00 0.00 61.98 58.33 1xwn s VAL 14 Cb -0.06 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 34.00 1xwn s VAL 14 CO 0.05 0.03 0.17 -0.31 -3.33 0.00 0.00 175.10 171.71 1xwn s TYR 15 N -0.65 3.19 -0.56 1.54 1.51 -0.41 -3.03 117.35 118.93 1xwn s TYR 15 Ca 0.01 -0.27 -0.17 0.00 -1.01 0.00 0.00 57.07 55.63 1xwn s TYR 15 Cb -0.06 -2.38 0.12 0.00 -0.11 0.00 0.00 41.96 39.54 1xwn s TYR 15 CO 0.00 -0.34 0.57 -0.51 -1.11 0.00 0.00 175.55 174.16 1xwn s LEU 16 N 1.68 5.97 -0.52 -1.29 1.43 -0.77 -2.89 118.68 122.29 1xwn s LEU 16 Ca 0.06 -1.71 -0.20 0.00 -1.03 0.00 0.00 54.13 51.25 1xwn s LEU 16 Cb -0.17 -2.24 0.06 0.00 0.03 0.00 0.00 46.19 43.87 1xwn s LEU 16 CO 0.08 -0.93 0.70 -0.70 0.23 0.00 0.00 176.35 175.73 1xwn s GLU 17 N 1.88 3.16 0.38 1.70 -6.30 -1.05 -2.28 118.70 116.20 1xwn s GLU 17 Ca 0.06 -0.78 0.08 0.00 -2.50 0.00 0.00 54.97 51.83 1xwn s GLU 17 Cb -0.28 -4.10 -0.05 0.00 0.00 0.00 0.00 34.13 29.70 1xwn s GLU 17 CO 0.04 -1.30 0.10 -0.08 0.02 0.00 0.00 175.26 174.04 1xwn s THR 18 N 2.93 2.46 -0.23 -1.70 -1.32 -0.93 -1.03 115.64 115.82 1xwn s THR 18 Ca 0.18 -1.81 0.23 0.00 -1.21 0.00 0.00 61.69 59.08 1xwn s THR 18 Cb -0.18 -2.93 0.28 0.00 -1.51 0.00 0.00 72.50 68.16 1xwn s THR 18 CO 0.13 -0.09 1.66 -1.28 -2.21 0.00 0.00 174.62 172.83 1xwn h SER 19 N 1.60 0.00 -0.72 8.08 0.87 -0.80 -3.14 113.55 119.44 1xwn h SER 19 Ca -0.43 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 59.80 1xwn h SER 19 Cb 1.25 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.01 1xwn h SER 19 CO 0.69 0.13 0.42 0.80 -0.53 0.00 0.00 176.83 178.34 1xwn n MET 20 N -3.16 2.35 0.00 2.24 0.00 -1.24 -4.95 117.12 112.37 1xwn n MET 20 Ca 0.03 -2.37 0.00 0.00 -0.00 0.00 0.00 57.70 55.35 1xwn n MET 20 Cb 0.53 -1.95 0.00 0.00 0.00 0.00 0.00 33.22 31.79 1xwn n MET 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1xwn n GLY 21 N -0.56 0.37 3.11 -5.12 0.00 -1.19 -4.99 105.19 96.82 1xwn n GLY 21 Ca 0.42 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 1xwn n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwn s ILE 22 N 0.00 -0.00 -0.01 -0.61 1.01 -1.26 -2.18 121.20 118.14 1xwn s ILE 22 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1xwn s ILE 22 Cb 0.00 -0.33 0.02 0.00 0.01 0.00 0.00 42.46 42.16 1xwn s ILE 22 CO 0.00 0.01 0.01 0.27 0.00 0.00 0.00 174.94 175.23 1xwn s ILE 23 N 0.23 0.03 -0.31 2.92 -4.36 -0.96 -4.62 121.20 114.12 1xwn s ILE 23 Ca -0.01 0.10 -0.07 0.00 -0.26 0.00 0.00 60.65 60.41 1xwn s ILE 23 Cb -0.02 -0.11 0.01 0.00 1.25 0.00 0.00 42.46 43.59 1xwn s ILE 23 CO -0.00 0.07 0.10 -0.69 0.24 0.00 0.00 174.94 174.65 1xwn s VAL 24 N 0.66 4.00 -0.07 8.37 1.01 0.26 -1.84 120.40 132.78 1xwn s VAL 24 Ca -0.06 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1xwn s VAL 24 Cb -0.08 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1xwn s VAL 24 CO -0.02 0.02 -0.11 -0.76 0.00 0.00 0.00 175.10 174.23 1xwn s LEU 25 N 1.49 2.91 -0.18 3.92 1.02 -1.17 -3.55 118.68 123.12 1xwn s LEU 25 Ca 0.02 -0.14 -0.07 0.00 0.02 0.00 0.00 54.13 53.95 1xwn s LEU 25 Cb -0.18 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.37 1xwn s LEU 25 CO 0.03 0.32 0.06 -1.83 0.02 0.00 0.00 176.35 174.96 1xwn s GLU 26 N -0.59 3.97 -0.16 1.70 -1.05 -1.11 -2.54 118.70 118.93 1xwn s GLU 26 Ca 0.09 -0.34 -0.12 0.00 -0.15 0.00 0.00 54.97 54.45 1xwn s GLU 26 Cb -0.11 -3.21 -0.05 0.00 -0.44 0.00 0.00 34.13 30.32 1xwn s GLU 26 CO 0.02 0.28 0.24 -0.51 0.95 0.00 0.00 175.26 176.24 1xwn s LEU 27 N 0.34 4.26 -0.57 1.83 2.01 -0.99 -2.53 118.68 123.04 1xwn s LEU 27 Ca 0.03 0.45 -0.26 0.00 0.01 0.00 0.00 54.13 54.36 1xwn s LEU 27 Cb -0.12 -2.27 -0.05 0.00 0.01 0.00 0.00 46.19 43.76 1xwn s LEU 27 CO 0.00 0.17 2.15 -0.31 1.01 0.00 0.00 176.35 179.37 1xwn s TYR 28 N 0.17 1.36 -1.52 0.29 2.02 -1.22 -4.81 117.35 113.64 1xwn s TYR 28 Ca 0.14 1.20 0.00 0.00 -0.37 0.00 0.00 57.07 58.05 1xwn s TYR 28 Cb -0.13 -3.82 0.00 0.00 -0.40 0.00 0.00 41.96 37.61 1xwn s TYR 28 CO 0.03 -2.38 0.74 -2.67 -1.57 0.00 0.00 175.55 169.70 1xwn n TRP 29 N 14.53 0.00 0.00 2.71 4.27 -1.26 -1.77 117.44 135.92 1xwn n TRP 29 Ca 0.30 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.91 1xwn n TRP 29 Cb 0.53 -0.05 0.00 0.00 -1.36 0.00 0.00 31.31 30.43 1xwn n TRP 29 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1xwn n LYS 30 N -0.26 0.00 -0.00 -2.67 4.01 -1.26 -4.55 118.16 113.43 1xwn n LYS 30 Ca 0.00 0.00 0.10 0.00 -0.51 0.00 0.00 58.31 57.90 1xwn n LYS 30 Cb 0.12 -0.47 -0.14 0.00 -0.51 0.00 0.00 35.03 34.03 1xwn n LYS 30 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1xwn n HIS 31 N -2.43 0.00 0.90 2.13 8.25 -1.26 -4.43 115.22 118.38 1xwn n HIS 31 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1xwn n HIS 31 Cb 0.00 -0.21 0.16 0.00 1.12 0.00 0.00 29.99 31.05 1xwn n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xwn n ALA 32 N -1.81 2.46 -0.42 -1.41 0.00 -0.73 -4.60 120.51 114.00 1xwn n ALA 32 Ca 0.00 -0.73 0.37 0.00 0.00 0.00 0.00 53.44 53.08 1xwn n ALA 32 Cb 0.42 -0.85 0.64 0.00 0.00 0.00 0.00 19.45 19.66 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 0.04 0.33 0.00 0.11 -1.70 0.26 132.00 135.50 1xwn h PRO 33 Ca 0.00 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1xwn h PRO 33 Cb 0.96 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 1xwn h PRO 33 CO 0.00 0.03 -0.28 -0.22 -0.21 0.00 0.00 178.00 177.31 1xwn h LYS 34 N 0.04 -0.60 -0.36 1.05 3.11 -1.90 -1.20 116.57 116.70 1xwn h LYS 34 Ca 0.85 0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 58.67 1xwn h LYS 34 Cb 2.58 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 33.93 1xwn h LYS 34 CO -0.54 -0.40 -0.05 1.15 -2.81 0.00 0.00 179.45 176.80 1xwn h THR 35 N -0.63 1.22 -0.18 1.00 2.02 -0.91 -2.66 112.91 112.78 1xwn h THR 35 Ca -0.02 -0.93 0.04 0.00 0.77 0.00 0.00 66.41 66.27 1xwn h THR 35 Cb 0.56 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.93 1xwn h THR 35 CO -0.03 0.32 -0.06 0.00 0.37 0.00 0.00 175.52 176.12 1xwn h LYS 37 N -0.02 1.20 0.81 0.00 3.64 -1.05 0.89 116.57 122.03 1xwn h LYS 37 Ca 0.09 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1xwn h LYS 37 Cb 0.16 -0.25 0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1xwn h LYS 37 CO -0.19 0.85 -0.39 -0.97 -2.27 0.00 0.00 179.45 176.48 1xwn h ASN 38 N 1.21 -0.92 -0.93 4.20 -0.73 -1.00 0.24 115.58 117.64 1xwn h ASN 38 Ca 0.31 0.02 0.04 0.00 1.87 0.00 0.00 56.30 58.54 1xwn h ASN 38 Cb -0.02 0.24 -0.06 0.00 0.27 0.00 0.00 38.32 38.75 1xwn h ASN 38 CO -0.06 -0.60 0.60 0.15 -0.37 0.00 0.00 177.43 177.16 1xwn h PHE 39 N -1.21 1.13 -0.03 0.67 3.57 -0.69 0.15 116.94 120.53 1xwn h PHE 39 Ca -0.11 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 1xwn h PHE 39 Cb 0.85 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1xwn h PHE 39 CO -0.00 0.64 0.00 0.00 -2.23 0.00 0.00 178.31 176.72 1xwn h ALA 40 N 1.39 0.04 -0.45 2.41 0.00 -0.78 -2.60 119.26 119.26 1xwn h ALA 40 Ca 0.37 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1xwn h ALA 40 Cb 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xwn h ALA 40 CO -0.13 -0.30 0.05 0.93 0.00 0.00 0.00 179.25 179.80 1xwn h GLU 41 N -0.23 0.71 -0.06 0.00 4.39 -0.26 0.55 114.58 119.69 1xwn h GLU 41 Ca 0.01 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1xwn h GLU 41 Cb 0.30 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 1xwn h GLU 41 CO 0.00 0.69 0.03 -0.07 -1.16 0.00 0.00 179.01 178.51 1xwn h LEU 42 N 0.68 0.05 -0.65 1.33 4.07 -0.62 0.63 115.31 120.79 1xwn h LEU 42 Ca 0.14 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.96 1xwn h LEU 42 Cb 0.35 -0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.06 1xwn h LEU 42 CO 0.01 0.04 -0.66 0.00 -1.08 0.00 0.00 178.44 176.75 1xwn h ALA 43 N 1.03 0.87 -0.06 1.53 0.00 -1.31 -1.17 119.26 120.15 1xwn h ALA 43 Ca 0.02 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1xwn h ALA 43 Cb -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1xwn h ALA 43 CO -0.01 0.80 -0.30 0.00 0.00 0.00 0.00 179.25 179.73 1xwn h ARG 44 N 0.05 0.32 0.41 0.00 2.47 -0.55 -3.35 114.38 113.73 1xwn h ARG 44 Ca -0.01 -0.26 -0.02 0.00 -1.26 0.00 0.00 59.98 58.43 1xwn h ARG 44 Cb 1.17 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1xwn h ARG 44 CO 0.09 0.90 -0.20 -0.09 0.56 0.00 0.00 179.97 181.23 1xwn h ARG 45 N -0.19 -0.53 0.00 0.04 2.43 0.22 -3.47 114.38 112.87 1xwn h ARG 45 Ca -0.02 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1xwn h ARG 45 Cb 0.96 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1xwn h ARG 45 CO 0.06 -0.35 0.00 0.41 -1.51 0.00 0.00 179.97 178.58 1xwn n GLY 46 N -1.31 -0.15 1.24 2.80 0.00 -1.08 -5.09 105.19 101.60 1xwn n GLY 46 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1xwn n GLY 46 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xwn n TYR 47 N 0.00 0.00 -0.05 1.61 4.02 -0.46 -4.85 117.16 117.43 1xwn n TYR 47 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1xwn n TYR 47 Cb 0.00 0.14 -0.08 0.00 -0.02 0.00 0.00 39.34 39.38 1xwn n TYR 47 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1xwn h TYR 48 N 0.00 0.52 -2.03 -0.72 3.20 -1.79 -3.42 116.97 112.73 1xwn h TYR 48 Ca 0.00 -0.19 -0.60 0.00 3.14 0.00 0.00 58.73 61.07 1xwn h TYR 48 Cb 0.72 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.91 1xwn h TYR 48 CO 0.00 0.90 1.18 0.27 -1.64 0.00 0.00 178.16 178.87 1xwn n ASN 49 N -4.43 3.51 -0.09 -2.11 6.94 -1.26 -1.56 115.26 116.26 1xwn n ASN 49 Ca -0.07 0.86 0.00 0.00 -0.02 0.00 0.00 54.58 55.35 1xwn n ASN 49 Cb 0.46 -1.41 0.00 0.00 -2.36 0.00 0.00 39.78 36.47 1xwn n ASN 49 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1xwn n GLY 50 N 4.68 0.84 2.13 4.83 0.00 -1.20 -5.02 105.19 111.44 1xwn n GLY 50 Ca 0.24 -0.62 -0.11 0.00 0.00 0.00 0.00 46.02 45.53 1xwn n GLY 50 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xwn n THR 51 N -2.89 0.00 -3.64 2.61 5.66 -0.60 -4.94 114.28 110.48 1xwn n THR 51 Ca 0.00 -1.06 -0.10 0.00 -3.05 0.00 0.00 64.05 59.84 1xwn n THR 51 Cb 0.37 -0.72 -0.07 0.00 -1.55 0.00 0.00 70.33 68.35 1xwn n THR 51 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 1xwn s LYS 52 N -3.43 0.67 0.60 1.09 2.20 -1.26 -1.86 119.74 117.75 1xwn s LYS 52 Ca 0.33 0.88 -0.18 0.00 -0.36 0.00 0.00 55.97 56.64 1xwn s LYS 52 Cb -0.03 0.28 -0.03 0.00 -1.51 0.00 0.00 37.83 36.54 1xwn s LYS 52 CO 0.21 -0.09 1.21 -0.06 -0.36 0.00 0.00 175.35 176.26 1xwn s PHE 53 N 0.65 2.36 0.00 4.03 0.40 -0.54 -4.59 117.98 120.29 1xwn s PHE 53 Ca -0.02 1.52 0.00 0.00 -0.60 0.00 0.00 56.93 57.83 1xwn s PHE 53 Cb -0.05 -3.49 0.00 0.00 0.51 0.00 0.00 43.02 39.99 1xwn s PHE 53 CO -0.06 -2.27 0.89 -2.39 0.70 0.00 0.00 175.22 172.09 1xwn n HIS 54 N -1.67 0.00 -3.19 0.36 1.44 -1.26 -4.61 115.22 106.29 1xwn n HIS 54 Ca 0.14 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.86 1xwn n HIS 54 Cb 0.50 -0.01 -0.02 0.00 0.12 0.00 0.00 29.99 30.58 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 0.00 0.52 -0.14 -1.40 0.52 -1.25 -4.87 118.95 112.33 1xwn s ARG 55 Ca 0.00 0.66 -0.03 0.00 -0.52 0.00 0.00 55.73 55.84 1xwn s ARG 55 Cb 0.00 0.21 0.05 0.00 0.52 0.00 0.00 34.95 35.73 1xwn s ARG 55 CO 0.00 -0.85 0.04 0.42 0.02 0.00 0.00 175.30 174.93 1xwn s ILE 56 N 2.77 0.33 -0.42 1.52 1.09 -1.25 -1.79 121.20 123.45 1xwn s ILE 56 Ca 0.14 -0.22 -0.04 0.00 -1.10 0.00 0.00 60.65 59.43 1xwn s ILE 56 Cb -0.13 -0.75 0.11 0.00 -1.06 0.00 0.00 42.46 40.64 1xwn s ILE 56 CO -0.24 -0.06 0.23 -0.63 -0.10 0.00 0.00 174.94 174.15 1xwn s ILE 57 N 1.96 3.47 0.51 2.92 1.09 -0.99 -4.56 121.20 125.61 1xwn s ILE 57 Ca 0.02 -1.99 -0.23 0.00 -1.10 0.00 0.00 60.65 57.34 1xwn s ILE 57 Cb -0.15 -3.36 -0.06 0.00 -1.06 0.00 0.00 42.46 37.83 1xwn s ILE 57 CO -0.07 -0.70 1.34 1.17 -0.10 0.00 0.00 174.94 176.58 1xwn n LYS 58 N 4.66 1.80 -2.73 2.79 4.81 -1.26 -2.59 118.16 125.64 1xwn n LYS 58 Ca -0.03 0.65 -0.12 0.00 -0.87 0.00 0.00 58.31 57.94 1xwn n LYS 58 Cb 0.41 -2.54 0.02 0.00 0.02 0.00 0.00 35.03 32.94 1xwn n LYS 58 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xwn n ASP 59 N -0.66 -4.00 0.00 3.14 -0.08 -1.26 -4.82 116.55 108.87 1xwn n ASP 59 Ca 0.09 -0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1xwn n ASP 59 Cb 0.43 -2.83 0.00 0.00 2.34 0.00 0.00 41.12 41.07 1xwn n ASP 59 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1xwn n PHE 60 N -3.88 0.00 -3.84 -0.67 7.35 -1.16 -4.95 117.46 110.31 1xwn n PHE 60 Ca -0.05 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.57 1xwn n PHE 60 Cb 0.56 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.37 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 0.43 1.73 0.04 -4.13 0.23 -1.07 -1.65 119.30 114.89 1xwn s MET 61 Ca 0.00 -0.95 0.01 0.00 -1.03 0.00 0.00 55.69 53.72 1xwn s MET 61 Cb 0.00 0.60 -0.02 0.00 -1.53 0.00 0.00 34.83 33.87 1xwn s MET 61 CO 0.00 -0.79 -0.06 0.96 -2.03 0.00 0.00 175.02 173.09 1xwn s ILE 62 N -3.87 0.41 0.05 3.16 -4.36 -0.91 -2.34 121.20 113.33 1xwn s ILE 62 Ca 0.11 -1.06 0.07 0.00 -0.26 0.00 0.00 60.65 59.51 1xwn s ILE 62 Cb -0.06 -0.54 -0.02 0.00 1.25 0.00 0.00 42.46 43.09 1xwn s ILE 62 CO 0.06 -0.43 -0.19 0.00 0.24 0.00 0.00 174.94 174.62 1xwn s GLN 63 N -1.62 1.23 0.27 0.37 0.00 -0.74 -0.24 119.66 118.92 1xwn s GLN 63 Ca -0.11 -0.91 0.10 0.00 -0.00 0.00 0.00 55.36 54.45 1xwn s GLN 63 Cb -0.09 -1.33 -0.05 0.00 0.00 0.00 0.00 33.01 31.54 1xwn s GLN 63 CO -0.00 0.33 -0.08 0.20 0.00 0.00 0.00 175.29 175.74 1xwn s GLY 64 N -1.23 1.74 0.44 2.60 0.00 -0.18 -3.77 107.32 106.91 1xwn s GLY 64 Ca 0.06 -1.73 -0.03 0.00 0.00 0.00 0.00 44.72 43.02 1xwn s GLY 64 CO 0.02 -1.80 0.70 -0.32 0.00 0.00 0.00 173.10 171.70 1xwn s GLY 65 N -3.58 1.44 0.19 0.20 0.00 -1.26 -3.47 107.32 100.84 1xwn s GLY 65 Ca 0.31 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1xwn s GLY 65 CO 0.18 -0.53 0.00 1.34 0.00 0.00 0.00 173.10 174.09 1xwn n ASP 66 N -2.10 -0.97 -4.55 1.64 -0.08 -1.26 -4.92 116.55 104.31 1xwn n ASP 66 Ca -0.01 0.34 -0.40 0.00 -1.51 0.00 0.00 54.79 53.21 1xwn n ASP 66 Cb 0.56 1.07 -0.03 0.00 2.34 0.00 0.00 41.12 45.06 1xwn n ASP 66 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1xwn s PRO 67 N -1.49 3.10 -0.45 -0.67 0.04 -1.26 -4.57 135.00 129.69 1xwn s PRO 67 Ca 0.00 -0.21 0.07 0.00 0.04 0.00 0.00 61.00 60.90 1xwn s PRO 67 Cb 0.00 -4.46 0.26 0.00 0.04 0.00 0.00 34.50 30.34 1xwn s PRO 67 CO 0.00 -2.35 0.82 2.41 0.04 0.00 0.00 177.00 177.92 1xwn n THR 68 N 6.72 -0.18 0.56 1.26 -1.04 -1.26 -3.54 114.28 116.79 1xwn n THR 68 Ca 0.14 -2.33 0.10 0.00 -2.04 0.00 0.00 64.05 59.91 1xwn n THR 68 Cb 0.50 0.53 0.41 0.00 -1.82 0.00 0.00 70.33 69.95 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 1.30 -1.20 0.50 3.41 0.00 -1.24 -4.13 105.19 103.83 1xwn n GLY 69 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.74 0.00 0.00 2.61 5.66 -1.26 -5.07 114.28 114.47 1xwn n THR 70 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1xwn n THR 70 Cb 0.23 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.54 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 2.36 2.99 0.01 1.09 0.00 -1.26 -4.92 105.19 105.46 1xwn n GLY 71 Ca 0.00 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 45.61 1xwn n GLY 71 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xwn n ARG 72 N 0.00 0.44 -4.96 1.61 1.85 -1.26 -4.98 116.66 109.36 1xwn n ARG 72 Ca 0.00 -0.13 -0.29 0.00 -1.00 0.00 0.00 57.85 56.44 1xwn n ARG 72 Cb 0.00 -1.33 -0.17 0.00 -1.05 0.00 0.00 32.46 29.91 1xwn n ARG 72 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1xwn s GLY 73 N -3.61 1.09 -0.14 2.89 0.00 -1.26 -5.12 107.32 101.16 1xwn s GLY 73 Ca -0.05 -0.76 0.02 0.00 0.00 0.00 0.00 44.72 43.93 1xwn s GLY 73 CO 0.58 -0.23 -0.19 -0.32 0.00 0.00 0.00 173.10 172.93 1xwn s GLY 74 N 0.32 1.40 -0.05 0.20 0.00 -1.23 -3.73 107.32 104.24 1xwn s GLY 74 Ca -0.13 -1.07 -0.12 0.00 0.00 0.00 0.00 44.72 43.40 1xwn s GLY 74 CO 0.06 -0.02 0.28 0.00 0.00 0.00 0.00 173.10 173.41 1xwn s ALA 75 N 0.78 -0.71 0.43 3.20 0.00 -1.26 -4.79 121.76 119.42 1xwn s ALA 75 Ca -0.07 0.46 0.07 0.00 0.00 0.00 0.00 51.96 52.43 1xwn s ALA 75 Cb -0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 1xwn s ALA 75 CO -0.01 -0.21 0.35 0.45 0.00 0.00 0.00 175.76 176.35 1xwn s SER 76 N -0.77 4.89 0.26 0.00 0.15 -1.26 -4.80 113.70 112.17 1xwn s SER 76 Ca -0.09 -0.86 -0.03 0.00 0.70 0.00 0.00 55.95 55.68 1xwn s SER 76 Cb -0.04 -0.45 0.54 0.00 -1.71 0.00 0.00 66.02 64.36 1xwn s SER 76 CO 0.02 -0.69 1.68 0.16 1.20 0.00 0.00 173.24 175.62 1xwn h ILE 77 N 1.06 0.48 0.00 6.45 3.07 -1.99 -3.00 117.51 123.58 1xwn h ILE 77 Ca -0.41 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 65.90 1xwn h ILE 77 Cb 1.27 0.17 0.00 0.00 -0.27 0.00 0.00 36.82 37.98 1xwn h ILE 77 CO 0.59 0.05 -0.13 0.00 -1.05 0.00 0.00 178.15 177.61 1xwn n TYR 78 N -5.15 0.00 0.00 0.16 0.18 -1.26 -5.05 117.16 106.04 1xwn n TYR 78 Ca 0.16 -0.33 0.00 0.00 1.88 0.00 0.00 57.90 59.61 1xwn n TYR 78 Cb 0.52 -0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.42 1xwn n TYR 78 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1xwn n GLY 79 N -0.43 1.05 5.00 -7.48 0.00 -1.13 -4.72 105.19 97.48 1xwn n GLY 79 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.09 1xwn n GLY 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xwn n LYS 80 N 0.00 0.00 -3.34 1.61 0.00 -1.19 -4.46 118.16 110.78 1xwn n LYS 80 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 58.31 58.20 1xwn n LYS 80 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 34.96 1xwn n LYS 80 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1xwn s GLN 81 N 0.00 0.38 0.38 1.64 1.03 -1.21 -4.30 119.66 117.58 1xwn s GLN 81 Ca 0.00 0.08 -0.09 0.00 0.04 0.00 0.00 55.36 55.39 1xwn s GLN 81 Cb 0.00 -0.43 0.03 0.00 0.03 0.00 0.00 33.01 32.65 1xwn s GLN 81 CO 0.00 -1.00 0.65 -0.59 -2.54 0.00 0.00 175.29 171.81 1xwn s PHE 82 N 2.49 0.60 -0.33 9.60 -0.71 -1.23 -4.85 117.98 123.55 1xwn s PHE 82 Ca 0.10 -1.07 -0.11 0.00 -1.04 0.00 0.00 56.93 54.80 1xwn s PHE 82 Cb -0.13 0.40 -0.01 0.00 -1.21 0.00 0.00 43.02 42.07 1xwn s PHE 82 CO -0.30 -1.39 0.20 -1.21 -1.34 0.00 0.00 175.22 171.18 1xwn s GLU 83 N -2.55 3.43 0.63 1.99 2.02 -1.26 -2.53 118.70 120.43 1xwn s GLU 83 Ca 0.23 -0.67 -0.07 0.00 0.02 0.00 0.00 54.97 54.48 1xwn s GLU 83 Cb -0.03 -3.70 0.02 0.00 0.10 0.00 0.00 34.13 30.52 1xwn s GLU 83 CO 0.16 -0.43 0.95 0.34 0.02 0.00 0.00 175.26 176.31 1xwn s ASP 84 N 1.68 5.39 -0.14 -0.19 2.15 -1.26 -5.06 116.67 119.24 1xwn s ASP 84 Ca 0.05 0.71 -0.18 0.00 0.43 0.00 0.00 52.55 53.57 1xwn s ASP 84 Cb -0.17 -1.60 -0.04 0.00 -0.30 0.00 0.00 42.92 40.81 1xwn s ASP 84 CO 0.09 -1.22 0.47 -1.61 -0.17 0.00 0.00 175.17 172.73 1xwn s GLU 85 N -5.10 4.30 -0.09 4.34 0.41 -1.26 -5.07 118.70 116.22 1xwn s GLU 85 Ca 0.56 0.41 0.00 0.00 -0.41 0.00 0.00 54.97 55.53 1xwn s GLU 85 Cb -0.11 -3.47 -0.03 0.00 -1.78 0.00 0.00 34.13 28.75 1xwn s GLU 85 CO 0.46 0.09 -0.08 -1.17 -0.49 0.00 0.00 175.26 174.07 1xwn s LEU 86 N 0.86 3.06 -0.29 1.80 0.20 -1.26 -4.91 118.68 118.14 1xwn s LEU 86 Ca 0.25 -0.11 -0.04 0.00 0.69 0.00 0.00 54.13 54.92 1xwn s LEU 86 Cb -0.15 -1.68 0.10 0.00 -0.43 0.00 0.00 46.19 44.04 1xwn s LEU 86 CO 0.10 0.30 0.14 -1.00 -0.29 0.00 0.00 176.35 175.60 1xwn s HIS 87 N -0.41 0.26 0.71 5.38 3.76 -1.26 -5.14 115.29 118.59 1xwn s HIS 87 Ca 0.06 -0.83 -0.14 0.00 -0.15 0.00 0.00 55.06 54.00 1xwn s HIS 87 Cb -0.12 -0.86 0.03 0.00 1.11 0.00 0.00 32.58 32.73 1xwn s HIS 87 CO 0.02 -0.84 1.13 -1.25 -0.85 0.00 0.00 174.74 172.95 1xwn s PRO 88 N 2.11 2.45 -0.53 8.40 0.04 -1.26 -4.39 135.00 141.82 1xwn s PRO 88 Ca 0.09 1.43 -0.09 0.00 0.04 0.00 0.00 61.00 62.46 1xwn s PRO 88 Cb -0.16 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.49 1xwn s PRO 88 CO -0.36 -1.53 0.62 -0.25 0.04 0.00 0.00 177.00 175.51 1xwn n ASP 89 N -2.81 -7.70 -3.23 6.66 8.00 -1.26 -5.03 116.55 111.18 1xwn n ASP 89 Ca 0.11 0.29 -0.21 0.00 0.71 0.00 0.00 54.79 55.69 1xwn n ASP 89 Cb 0.52 -5.22 -0.07 0.00 -0.02 0.00 0.00 41.12 36.33 1xwn n ASP 89 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1xwn s LEU 90 N -3.09 0.63 0.00 0.64 1.43 -1.26 -5.06 118.68 111.98 1xwn s LEU 90 Ca 0.15 -2.69 0.00 0.00 -1.03 0.00 0.00 54.13 50.56 1xwn s LEU 90 Cb -0.04 0.18 0.00 0.00 0.03 0.00 0.00 46.19 46.36 1xwn s LEU 90 CO 0.74 -0.14 0.00 1.17 0.23 0.00 0.00 176.35 178.34 1xwn n LYS 91 N 2.91 0.00 -3.20 1.70 4.81 -1.26 -4.78 118.16 118.35 1xwn n LYS 91 Ca 0.26 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.51 1xwn n LYS 91 Cb 0.50 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.53 1xwn n LYS 91 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1xwn n PHE 92 N 0.00 -1.70 0.01 5.64 3.72 -1.26 -4.82 117.46 119.05 1xwn n PHE 92 Ca 0.00 0.33 -0.10 0.00 -0.05 0.00 0.00 57.45 57.63 1xwn n PHE 92 Cb 0.00 -2.37 0.05 0.00 -0.94 0.00 0.00 39.48 36.22 1xwn n PHE 92 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xwn h THR 93 N -0.61 1.33 0.00 4.37 1.03 -1.94 -3.36 112.91 113.73 1xwn h THR 93 Ca -0.34 -1.85 0.00 0.00 -0.01 0.00 0.00 66.41 64.21 1xwn h THR 93 Cb 1.23 1.82 0.00 0.00 -1.07 0.00 0.00 68.15 70.13 1xwn h THR 93 CO 0.44 0.57 0.00 0.61 -0.01 0.00 0.00 175.52 177.13 1xwn n GLY 94 N 0.31 2.97 2.31 2.99 0.00 -1.26 -3.99 105.19 108.53 1xwn n GLY 94 Ca -0.03 -1.97 -0.02 0.00 0.00 0.00 0.00 46.02 44.00 1xwn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwn n ALA 95 N -0.26 -3.43 -2.13 4.61 0.00 -0.74 -4.72 120.51 113.84 1xwn n ALA 95 Ca 0.00 1.02 0.00 0.00 0.00 0.00 0.00 53.44 54.46 1xwn n ALA 95 Cb 0.00 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1xwn n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwn n GLY 96 N 0.84 0.70 3.00 0.00 0.00 0.20 -4.97 105.19 104.95 1xwn n GLY 96 Ca -0.15 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.92 1.60 -0.35 -0.61 -1.09 -1.22 -2.47 121.20 114.14 1xwn s ILE 97 Ca 0.00 -0.89 -0.16 0.00 -2.23 0.00 0.00 60.65 57.37 1xwn s ILE 97 Cb 0.00 -1.63 -0.01 0.00 -1.58 0.00 0.00 42.46 39.24 1xwn s ILE 97 CO 0.00 0.25 0.39 -0.22 -1.23 0.00 0.00 174.94 174.13 1xwn s LEU 98 N 1.43 4.46 0.12 2.97 2.96 -1.13 0.35 118.68 129.84 1xwn s LEU 98 Ca 0.01 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.76 1xwn s LEU 98 Cb -0.15 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.11 1xwn s LEU 98 CO -0.09 -0.38 -0.12 0.00 -1.32 0.00 0.00 176.35 174.43 1xwn s ALA 99 N 2.09 2.87 -0.10 5.97 0.00 -0.83 0.16 121.76 131.91 1xwn s ALA 99 Ca 0.13 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.50 1xwn s ALA 99 Cb -0.16 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 1xwn s ALA 99 CO 0.12 0.61 1.03 -1.64 0.00 0.00 0.00 175.76 175.88 1xwn s MET 100 N -2.25 4.41 0.45 0.00 -1.94 0.19 -3.18 119.30 116.98 1xwn s MET 100 Ca 0.21 1.43 -0.19 0.00 -1.71 0.00 0.00 55.69 55.42 1xwn s MET 100 Cb -0.11 -3.55 -0.10 0.00 2.01 0.00 0.00 34.83 33.09 1xwn s MET 100 CO 0.13 -0.34 0.94 0.00 -0.01 0.00 0.00 175.02 175.74 1xwn s ALA 101 N 2.07 3.08 0.05 3.03 0.00 -1.19 -3.07 121.76 125.72 1xwn s ALA 101 Ca 0.49 0.28 0.05 0.00 0.00 0.00 0.00 51.96 52.78 1xwn s ALA 101 Cb -0.19 -3.10 -0.02 0.00 0.00 0.00 0.00 23.12 19.81 1xwn s ALA 101 CO 0.18 0.00 -0.14 -0.80 0.00 0.00 0.00 175.76 175.00 1xwn s ASN 102 N -2.54 1.67 -0.19 0.00 -0.87 -1.26 -4.62 114.94 107.13 1xwn s ASN 102 Ca 0.60 -0.49 -0.16 0.00 -1.57 0.00 0.00 52.86 51.23 1xwn s ASN 102 Cb -0.09 -0.09 -0.12 0.00 -0.02 0.00 0.00 41.25 40.92 1xwn s ASN 102 CO 0.20 0.01 0.01 0.00 -2.57 0.00 0.00 177.10 174.75 1xwn n ALA 103 N 1.76 0.70 -3.80 0.60 0.00 -1.18 -4.96 120.51 113.62 1xwn n ALA 103 Ca -0.19 -0.52 -0.09 0.00 0.00 0.00 0.00 53.44 52.64 1xwn n ALA 103 Cb 0.55 -0.28 0.03 0.00 0.00 0.00 0.00 19.45 19.74 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 -4.69 0.43 -0.05 0.00 0.00 -0.23 -5.04 107.32 97.73 1xwn s GLY 104 Ca -0.25 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.37 1xwn s GLY 104 CO 0.45 -0.29 2.05 -1.55 0.00 0.00 0.00 173.10 173.76 1xwn n PRO 105 N -0.54 2.55 -2.08 2.90 -0.04 -1.26 -1.35 135.00 135.17 1xwn n PRO 105 Ca -0.09 0.88 -0.18 0.00 -0.04 0.00 0.00 63.50 64.07 1xwn n PRO 105 Cb 0.60 -3.06 -0.03 0.00 -0.04 0.00 0.00 33.50 30.97 1xwn n PRO 105 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xwn n ASP 106 N 8.82 -5.22 -3.26 3.54 9.92 -1.26 -4.94 116.55 124.14 1xwn n ASP 106 Ca 0.23 0.13 -0.20 0.00 -0.53 0.00 0.00 54.79 54.43 1xwn n ASP 106 Cb 0.41 -4.29 -0.07 0.00 -0.64 0.00 0.00 41.12 36.53 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 -2.82 -0.14 0.18 -3.53 2.01 -0.46 -3.52 115.64 107.35 1xwn s THR 107 Ca 0.00 -1.77 0.04 0.00 0.31 0.00 0.00 61.69 60.26 1xwn s THR 107 Cb 0.00 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 1xwn s THR 107 CO 0.00 -0.79 0.27 0.20 -0.69 0.00 0.00 174.62 173.61 1xwn s ASN 108 N 0.69 6.17 0.00 3.53 0.01 -1.06 -1.07 114.94 123.21 1xwn s ASN 108 Ca 0.27 0.08 0.00 0.00 -0.71 0.00 0.00 52.86 52.50 1xwn s ASN 108 Cb -0.05 -1.80 0.00 0.00 0.41 0.00 0.00 41.25 39.81 1xwn s ASN 108 CO -0.10 0.02 0.00 0.61 -1.51 0.00 0.00 177.10 176.12 1xwn n GLY 109 N -0.74 0.64 1.97 0.66 0.00 -1.26 -3.16 105.19 103.30 1xwn n GLY 109 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 1xwn n GLY 109 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xwn n SER 110 N 0.00 -0.78 -5.00 1.61 2.88 -1.26 -4.24 113.62 106.83 1xwn n SER 110 Ca 0.00 -1.60 -0.18 0.00 -1.33 0.00 0.00 58.87 55.77 1xwn n SER 110 Cb 0.00 0.35 0.01 0.00 -0.75 0.00 0.00 64.21 63.82 1xwn n SER 110 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1xwn s GLN 111 N 0.06 2.76 0.11 -1.46 -1.52 -1.26 -4.22 119.66 114.12 1xwn s GLN 111 Ca 0.04 -1.30 -0.12 0.00 -1.95 0.00 0.00 55.36 52.03 1xwn s GLN 111 Cb 0.22 -2.72 0.02 0.00 -0.22 0.00 0.00 33.01 30.30 1xwn s GLN 111 CO -0.06 -0.33 0.30 -0.59 -0.25 0.00 0.00 175.29 174.36 1xwn s PHE 112 N -2.39 -0.03 -0.17 0.91 -0.71 -1.23 -3.15 117.98 111.20 1xwn s PHE 112 Ca 0.55 -0.34 -0.15 0.00 -1.04 0.00 0.00 56.93 55.95 1xwn s PHE 112 Cb -0.09 0.11 0.05 0.00 -1.21 0.00 0.00 43.02 41.87 1xwn s PHE 112 CO 0.33 -0.63 0.46 -0.59 -1.34 0.00 0.00 175.22 173.46 1xwn s PHE 113 N -3.83 -0.53 -0.14 3.49 -0.71 -1.19 -1.01 117.98 114.06 1xwn s PHE 113 Ca 0.04 1.26 -0.06 0.00 -1.04 0.00 0.00 56.93 57.13 1xwn s PHE 113 Cb 0.03 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 1xwn s PHE 113 CO -0.11 -0.26 0.06 0.14 -1.34 0.00 0.00 175.22 173.71 1xwn s VAL 114 N 0.38 4.83 -0.28 -2.49 -7.23 0.66 -1.97 120.40 114.30 1xwn s VAL 114 Ca -0.01 -0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 59.84 1xwn s VAL 114 Cb -0.04 -3.12 0.01 0.00 0.56 0.00 0.00 36.38 33.79 1xwn s VAL 114 CO -0.01 0.53 1.08 -0.89 -0.31 0.00 0.00 175.10 175.50 1xwn s THR 115 N -0.26 4.55 -1.80 5.32 2.01 0.16 -2.15 115.64 123.46 1xwn s THR 115 Ca 0.08 1.83 0.24 0.00 0.31 0.00 0.00 61.69 64.15 1xwn s THR 115 Cb -0.12 -4.35 0.09 0.00 0.01 0.00 0.00 72.50 68.13 1xwn s THR 115 CO 0.01 -0.35 1.28 -0.11 -0.69 0.00 0.00 174.62 174.77 1xwn n LEU 116 N 6.67 1.48 -3.57 4.42 -0.00 -0.66 0.59 117.00 125.93 1xwn n LEU 116 Ca 0.12 -0.51 -0.13 0.00 -0.00 0.00 0.00 56.01 55.50 1xwn n LEU 116 Cb 0.47 -0.06 -0.05 0.00 -0.00 0.00 0.00 43.42 43.78 1xwn n LEU 116 CO 0.56 0.28 0.26 0.00 -0.00 0.00 0.00 177.39 178.49 1xwn s ALA 117 N -2.55 -1.24 -0.19 1.96 0.00 -0.92 -4.38 121.76 114.44 1xwn s ALA 117 Ca 0.20 0.40 -0.37 0.00 0.00 0.00 0.00 51.96 52.19 1xwn s ALA 117 Cb 0.18 0.53 -0.14 0.00 0.00 0.00 0.00 23.12 23.70 1xwn s ALA 117 CO 0.58 -0.57 1.81 -2.30 0.00 0.00 0.00 175.76 175.27 1xwn n PRO 118 N 0.14 1.64 -2.79 0.00 -0.02 -1.26 -4.08 135.00 128.63 1xwn n PRO 118 Ca -0.18 0.60 -0.16 0.00 -2.02 0.00 0.00 63.50 61.75 1xwn n PRO 118 Cb 0.62 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 1xwn n PRO 118 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xwn n THR 119 N 4.84 1.10 -0.12 3.45 -2.24 -1.26 -4.91 114.28 115.15 1xwn n THR 119 Ca 0.25 -3.97 0.03 0.00 -2.27 0.00 0.00 64.05 58.08 1xwn n THR 119 Cb 0.21 -0.06 0.34 0.00 -2.10 0.00 0.00 70.33 68.72 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 2.93 0.75 0.00 -0.78 4.20 -1.84 -0.91 115.11 119.45 1xwn h GLN 120 Ca 0.04 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 1xwn h GLN 120 Cb 1.02 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.63 1xwn h GLN 120 CO 0.58 0.49 -0.16 0.11 -0.67 0.00 0.00 178.83 179.19 1xwn h TRP 121 N 0.77 0.00 0.00 2.96 0.09 -1.92 -2.25 115.95 115.59 1xwn h TRP 121 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.21 1xwn h TRP 121 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.23 1xwn h TRP 121 CO -0.00 0.16 0.00 1.28 0.09 0.00 0.00 178.44 179.97 1xwn n LEU 122 N -3.58 0.00 -4.57 0.11 4.77 -0.35 -4.66 117.00 108.72 1xwn n LEU 122 Ca -0.01 0.14 -0.21 0.00 -0.03 0.00 0.00 56.01 55.89 1xwn n LEU 122 Cb 0.29 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1xwn n LEU 122 CO 0.31 -0.03 1.30 -0.62 -1.33 0.00 0.00 177.39 177.02 1xwn s ASP 123 N -2.28 4.44 0.00 -1.43 -1.08 -0.85 -2.56 116.67 112.91 1xwn s ASP 123 Ca 0.31 -0.83 0.00 0.00 -0.52 0.00 0.00 52.55 51.51 1xwn s ASP 123 Cb 0.17 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.06 1xwn s ASP 123 CO 0.33 -3.55 0.00 0.61 0.52 0.00 0.00 175.17 173.09 1xwn n GLY 124 N 6.42 1.17 0.18 2.66 0.00 -1.26 -5.01 105.19 109.35 1xwn n GLY 124 Ca 0.43 -0.07 -0.14 0.00 0.00 0.00 0.00 46.02 46.25 1xwn n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwn h LYS 125 N 0.00 -0.36 -4.99 1.61 1.57 -1.84 -3.43 116.57 109.12 1xwn h LYS 125 Ca 0.00 0.02 -0.57 0.00 -1.87 0.00 0.00 60.65 58.23 1xwn h LYS 125 Cb 0.00 0.08 -0.33 0.00 0.08 0.00 0.00 32.23 32.07 1xwn h LYS 125 CO 0.00 -0.09 -0.84 -1.01 -0.57 0.00 0.00 179.45 176.94 1xwn s HIS 126 N -5.16 1.82 0.76 -1.35 3.76 -1.26 -4.75 115.29 109.11 1xwn s HIS 126 Ca -0.15 -0.65 -0.12 0.00 -0.15 0.00 0.00 55.06 53.99 1xwn s HIS 126 Cb 0.03 -1.26 0.05 0.00 1.11 0.00 0.00 32.58 32.51 1xwn s HIS 126 CO 0.59 -0.28 1.14 -0.08 -0.85 0.00 0.00 174.74 175.27 1xwn s THR 127 N 0.38 2.70 0.99 1.30 -1.32 -1.17 -4.85 115.64 113.66 1xwn s THR 127 Ca -0.12 0.23 -0.17 0.00 -1.21 0.00 0.00 61.69 60.42 1xwn s THR 127 Cb -0.15 -3.22 0.23 0.00 -1.51 0.00 0.00 72.50 67.85 1xwn s THR 127 CO 0.05 -0.30 1.32 0.00 -2.21 0.00 0.00 174.62 173.48 1xwn n ILE 128 N -3.18 0.00 0.00 5.08 3.06 -1.26 0.54 119.36 123.60 1xwn n ILE 128 Ca 0.07 -0.96 0.00 0.00 -2.50 0.00 0.00 62.75 59.37 1xwn n ILE 128 Cb 0.59 -1.50 0.00 0.00 0.54 0.00 0.00 39.64 39.27 1xwn n ILE 128 CO 0.00 0.00 0.00 2.22 -2.50 0.00 0.00 176.55 176.27 1xwn n PHE 129 N -3.88 -0.11 -4.59 9.51 1.16 -1.12 -3.48 117.46 114.95 1xwn n PHE 129 Ca 0.17 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.46 1xwn n PHE 129 Cb 0.58 0.02 -0.07 0.00 -1.61 0.00 0.00 39.48 38.40 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 -1.41 2.83 0.17 4.97 0.00 0.12 -3.41 107.32 110.60 1xwn s GLY 130 Ca 0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 44.72 43.76 1xwn s GLY 130 CO 0.00 -1.92 0.31 -1.60 0.00 0.00 0.00 173.10 169.90 1xwn s ARG 131 N -3.70 1.20 -0.29 2.90 3.00 -1.05 -2.82 118.95 118.19 1xwn s ARG 131 Ca 0.17 -1.16 0.02 0.00 -1.00 0.00 0.00 55.73 53.75 1xwn s ARG 131 Cb 0.01 0.39 0.08 0.00 0.00 0.00 0.00 34.95 35.44 1xwn s ARG 131 CO 0.12 -0.45 0.02 0.08 0.00 0.00 0.00 175.30 175.07 1xwn s VAL 132 N -3.97 1.66 -0.25 7.11 1.01 -1.03 -2.73 120.40 122.19 1xwn s VAL 132 Ca 0.17 -1.69 -0.16 0.00 0.00 0.00 0.00 61.98 60.31 1xwn s VAL 132 Cb 0.03 -2.10 -0.12 0.00 0.00 0.00 0.00 36.38 34.18 1xwn s VAL 132 CO 0.01 -0.42 -0.26 0.00 0.00 0.00 0.00 175.10 174.42 1xwn s GLN 134 N -2.52 1.34 0.00 0.00 0.74 -1.23 -4.69 119.66 113.30 1xwn s GLN 134 Ca -0.36 -1.78 0.00 0.00 0.05 0.00 0.00 55.36 53.27 1xwn s GLN 134 Cb 0.12 -2.89 0.00 0.00 1.10 0.00 0.00 33.01 31.34 1xwn s GLN 134 CO 0.49 -0.98 0.00 0.41 -0.55 0.00 0.00 175.29 174.66 1xwn n GLY 135 N 4.23 0.45 0.48 2.59 0.00 -1.26 0.90 105.19 112.57 1xwn n GLY 135 Ca 0.03 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.37 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 0.36 -0.30 -0.61 2.10 -1.85 0.27 117.51 117.49 1xwn h ILE 136 Ca 0.00 -0.06 0.02 0.00 1.08 0.00 0.00 64.86 65.90 1xwn h ILE 136 Cb 0.00 0.17 -0.03 0.00 -1.09 0.00 0.00 36.82 35.88 1xwn h ILE 136 CO 0.00 0.03 0.14 1.23 -1.08 0.00 0.00 178.15 178.47 1xwn h GLY 137 N 0.17 0.39 1.01 8.18 0.00 -1.95 0.30 103.07 111.18 1xwn h GLY 137 Ca 0.66 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.90 1xwn h GLY 137 CO -0.21 0.08 0.62 1.98 0.00 0.00 0.00 176.54 179.00 1xwn h MET 138 N 0.30 1.26 -0.61 4.80 1.85 -1.24 -2.31 114.93 118.98 1xwn h MET 138 Ca 0.12 -0.08 -0.06 0.00 -0.61 0.00 0.00 59.70 59.07 1xwn h MET 138 Cb 0.05 -0.28 -0.02 0.00 0.43 0.00 0.00 31.60 31.77 1xwn h MET 138 CO -0.09 0.84 0.14 0.28 -0.40 0.00 0.00 176.91 177.68 1xwn h VAL 139 N 1.29 1.25 -0.83 -5.77 2.07 -1.22 -2.89 116.25 110.16 1xwn h VAL 139 Ca 0.35 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.98 1xwn h VAL 139 Cb -0.13 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.27 1xwn h VAL 139 CO -0.07 0.35 0.52 0.78 0.02 0.00 0.00 177.57 179.17 1xwn h ASN 140 N 0.90 0.84 -0.42 0.57 2.35 -0.42 -1.49 115.58 117.91 1xwn h ASN 140 Ca 0.19 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 1xwn h ASN 140 Cb 0.37 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1xwn h ASN 140 CO 0.00 0.56 0.28 0.03 -1.65 0.00 0.00 177.43 176.65 1xwn h ARG 141 N 0.98 0.51 -0.08 0.81 3.08 -1.25 -0.90 114.38 117.53 1xwn h ARG 141 Ca 0.35 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.36 1xwn h ARG 141 Cb 0.09 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1xwn h ARG 141 CO -0.14 0.34 0.04 0.28 -1.07 0.00 0.00 179.97 179.42 1xwn h VAL 142 N 0.52 1.03 0.12 2.04 2.07 -1.17 -2.72 116.25 118.13 1xwn h VAL 142 Ca 0.16 -0.08 -0.33 0.00 0.82 0.00 0.00 66.70 67.26 1xwn h VAL 142 Cb -0.00 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1xwn h VAL 142 CO -0.04 0.03 -1.79 1.23 0.02 0.00 0.00 177.57 177.02 1xwn h GLY 143 N 0.15 0.28 0.27 2.17 0.00 -1.22 -3.37 103.07 101.36 1xwn h GLY 143 Ca 0.03 -0.72 0.21 0.00 0.00 0.00 0.00 47.33 46.85 1xwn h GLY 143 CO -0.00 0.63 0.60 -0.33 0.00 0.00 0.00 176.54 177.44 1xwn h MET 144 N -0.12 0.37 -7.15 4.80 2.07 -1.03 -3.42 114.93 110.45 1xwn h MET 144 Ca -0.39 -0.02 -0.43 0.00 -2.07 0.00 0.00 59.70 56.79 1xwn h MET 144 Cb 1.91 -0.08 0.21 0.00 -1.87 0.00 0.00 31.60 31.76 1xwn h MET 144 CO 0.06 0.24 0.00 0.14 1.07 0.00 0.00 176.91 178.42 1xwn s VAL 145 N -5.40 1.89 0.87 -2.22 -7.23 -1.04 -5.04 120.40 102.23 1xwn s VAL 145 Ca -0.08 0.00 -0.10 0.00 -1.81 0.00 0.00 61.98 59.99 1xwn s VAL 145 Cb 0.23 -2.11 0.17 0.00 0.56 0.00 0.00 36.38 35.23 1xwn s VAL 145 CO 0.78 0.00 1.20 -0.70 -0.31 0.00 0.00 175.10 176.07 1xwn s GLU 146 N -4.60 1.05 0.36 4.82 2.12 -1.26 -4.92 118.70 116.26 1xwn s GLU 146 Ca 0.68 -0.65 0.04 0.00 0.36 0.00 0.00 54.97 55.41 1xwn s GLU 146 Cb -0.23 -2.02 -0.03 0.00 0.26 0.00 0.00 34.13 32.11 1xwn s GLU 146 CO 0.63 -2.05 0.15 0.95 -0.54 0.00 0.00 175.26 174.41 1xwn s THR 147 N -3.62 0.47 0.00 -1.70 -4.23 -1.26 -1.21 115.64 104.09 1xwn s THR 147 Ca 0.71 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 1xwn s THR 147 Cb -0.05 -2.45 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1xwn s THR 147 CO 0.50 0.00 0.00 -0.46 -0.54 0.00 0.00 174.62 174.12 1xwn n ASN 148 N -1.17 1.12 -1.85 3.99 6.94 -0.31 -4.77 115.26 119.21 1xwn n ASN 148 Ca -0.02 -0.55 -0.17 0.00 -0.02 0.00 0.00 54.58 53.82 1xwn n ASN 148 Cb 0.65 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 38.13 1xwn n ASN 148 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1xwn n SER 149 N -1.04 5.56 -1.14 0.53 2.88 -1.26 -3.81 113.62 115.35 1xwn n SER 149 Ca 0.00 -3.05 -0.03 0.00 -1.33 0.00 0.00 58.87 54.46 1xwn n SER 149 Cb 0.00 -0.93 -0.04 0.00 -0.75 0.00 0.00 64.21 62.50 1xwn n SER 149 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwn n GLN 150 N 0.02 0.00 -3.88 -1.46 6.02 -1.26 -5.00 117.38 111.81 1xwn n GLN 150 Ca 0.33 -1.30 -0.31 0.00 -0.01 0.00 0.00 57.00 55.72 1xwn n GLN 150 Cb 0.76 0.29 0.01 0.00 1.02 0.00 0.00 30.24 32.32 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1xwn n ASP 151 N 0.17 -4.40 -4.32 1.08 9.92 -1.25 -4.97 116.55 112.78 1xwn n ASP 151 Ca -0.15 -0.76 -0.28 0.00 -0.53 0.00 0.00 54.79 53.07 1xwn n ASP 151 Cb 0.84 -3.54 -0.14 0.00 -0.64 0.00 0.00 41.12 37.64 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1xwn s ARG 152 N -6.58 1.55 0.29 -1.24 0.52 -1.26 -3.81 118.95 108.41 1xwn s ARG 152 Ca 0.64 -1.11 -0.29 0.00 -0.52 0.00 0.00 55.73 54.45 1xwn s ARG 152 Cb -0.33 -1.78 -0.10 0.00 0.52 0.00 0.00 34.95 33.27 1xwn s ARG 152 CO 0.79 0.45 1.12 -1.25 0.02 0.00 0.00 175.30 176.42 1xwn s PRO 153 N -1.44 4.60 0.42 3.54 0.04 -1.26 -1.16 135.00 139.75 1xwn s PRO 153 Ca 0.10 1.84 0.09 0.00 0.04 0.00 0.00 61.00 63.07 1xwn s PRO 153 Cb -0.10 -3.16 0.91 0.00 0.04 0.00 0.00 34.50 32.19 1xwn s PRO 153 CO 0.03 0.17 2.04 -0.39 0.04 0.00 0.00 177.00 178.88 1xwn h VAL 154 N 3.07 1.04 -2.92 -0.36 -1.51 -1.46 -3.23 116.25 110.89 1xwn h VAL 154 Ca -0.47 -0.17 -0.63 0.00 -1.23 0.00 0.00 66.70 64.20 1xwn h VAL 154 Cb 1.21 0.49 -0.41 0.00 -2.13 0.00 0.00 31.29 30.45 1xwn h VAL 154 CO 0.67 0.09 -0.49 0.47 -1.23 0.00 0.00 177.57 177.08 1xwn n ASP 155 N -4.48 3.42 -4.69 4.19 9.92 -1.26 -5.09 116.55 118.57 1xwn n ASP 155 Ca 0.05 -3.26 -0.43 0.00 -0.53 0.00 0.00 54.79 50.62 1xwn n ASP 155 Cb 0.16 -0.79 -0.01 0.00 -0.64 0.00 0.00 41.12 39.83 1xwn n ASP 155 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1xwn n ASP 156 N 1.74 2.81 -4.69 -2.24 8.00 -1.22 -4.93 116.55 116.01 1xwn n ASP 156 Ca 0.22 1.18 -0.42 0.00 0.71 0.00 0.00 54.79 56.49 1xwn n ASP 156 Cb 0.36 -1.47 -0.03 0.00 -0.02 0.00 0.00 41.12 39.97 1xwn n ASP 156 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xwn s VAL 157 N -0.71 4.80 -0.25 2.53 1.01 -1.26 -4.95 120.40 121.57 1xwn s VAL 157 Ca 0.60 2.04 -0.00 0.00 0.00 0.00 0.00 61.98 64.62 1xwn s VAL 157 Cb -0.59 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 31.51 1xwn s VAL 157 CO 0.58 0.03 -0.09 -1.59 0.00 0.00 0.00 175.10 174.03 1xwn s LYS 158 N 1.84 2.69 0.12 2.72 -2.85 -1.26 -1.47 119.74 121.53 1xwn s LYS 158 Ca 0.49 -1.06 -0.14 0.00 -1.00 0.00 0.00 55.97 54.25 1xwn s LYS 158 Cb -0.19 -2.92 -0.07 0.00 -2.06 0.00 0.00 37.83 32.59 1xwn s LYS 158 CO 0.20 -0.43 0.52 0.42 0.10 0.00 0.00 175.35 176.15 1xwn s ILE 159 N 1.26 4.90 0.00 3.79 1.01 -0.78 -0.06 121.20 131.32 1xwn s ILE 159 Ca -0.02 0.80 0.00 0.00 0.00 0.00 0.00 60.65 61.44 1xwn s ILE 159 Cb -0.17 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.57 1xwn s ILE 159 CO -0.05 0.30 0.59 2.30 0.00 0.00 0.00 174.94 178.07 1xwn n ILE 160 N 0.97 0.27 -3.65 2.92 -0.00 -1.21 -3.16 119.36 115.50 1xwn n ILE 160 Ca -0.07 -0.29 -0.14 0.00 -0.00 0.00 0.00 62.75 62.25 1xwn n ILE 160 Cb 0.52 0.96 -0.08 0.00 -0.00 0.00 0.00 39.64 41.04 1xwn n ILE 160 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1xwn s LYS 161 N -0.27 0.76 -0.29 6.28 -0.14 -0.20 -4.69 119.74 121.20 1xwn s LYS 161 Ca 0.00 0.82 0.02 0.00 -1.36 0.00 0.00 55.97 55.45 1xwn s LYS 161 Cb 0.00 0.37 0.17 0.00 -1.68 0.00 0.00 37.83 36.69 1xwn s LYS 161 CO 0.00 -0.11 0.45 0.00 -0.76 0.00 0.00 175.35 174.93 1xwn s ALA 162 N 0.21 -1.48 0.06 5.17 0.00 -1.26 -2.53 121.76 121.93 1xwn s ALA 162 Ca -0.01 0.49 -0.15 0.00 0.00 0.00 0.00 51.96 52.29 1xwn s ALA 162 Cb -0.04 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 20.95 1xwn s ALA 162 CO 0.02 -1.72 0.35 1.52 0.00 0.00 0.00 175.76 175.92 1xwn s TYR 163 N 2.61 -0.15 0.41 0.00 1.13 -1.14 -4.76 117.35 115.45 1xwn s TYR 163 Ca 0.10 0.00 -0.22 0.00 -1.41 0.00 0.00 57.07 55.55 1xwn s TYR 163 Cb -0.12 0.15 -0.11 0.00 -1.10 0.00 0.00 41.96 40.78 1xwn s TYR 163 CO -0.28 -0.56 0.94 -1.25 -2.51 0.00 0.00 175.55 171.90 1xwn s PRO 164 N -2.80 4.28 -0.35 -3.49 0.04 -1.26 -1.29 135.00 130.13 1xwn s PRO 164 Ca -0.03 1.14 0.03 0.00 0.04 0.00 0.00 61.00 62.18 1xwn s PRO 164 Cb -0.00 -2.28 0.15 0.00 0.04 0.00 0.00 34.50 32.42 1xwn s PRO 164 CO -0.05 0.02 0.38 -1.12 0.04 0.00 0.00 177.00 176.27 1xwn s SER 165 N -2.10 0.97 0.00 6.66 0.01 -1.25 -4.79 113.70 113.21 1xwn s SER 165 Ca 0.60 -1.24 0.30 0.00 1.31 0.00 0.00 55.95 56.93 1xwn s SER 165 Cb -0.10 0.71 1.53 0.00 0.21 0.00 0.00 66.02 68.37 1xwn s SER 165 CO 0.15 -0.29 2.02 0.61 0.41 0.00 0.00 173.24 176.14