#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 -3.32 -3.17 3.04 0.00 -1.26 -4.93 120.51 110.87 1xwn n ALA 2 Ca 0.00 1.61 -0.45 0.00 0.00 0.00 0.00 53.44 54.59 1xwn n ALA 2 Cb 0.00 -3.21 -0.04 0.00 0.00 0.00 0.00 19.45 16.20 1xwn n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwn s ALA 3 N -0.49 3.61 -0.15 0.00 0.00 -1.26 -4.90 121.76 118.57 1xwn s ALA 3 Ca -0.18 -2.62 -0.25 0.00 0.00 0.00 0.00 51.96 48.90 1xwn s ALA 3 Cb 0.01 -3.56 -0.25 0.00 0.00 0.00 0.00 23.12 19.32 1xwn s ALA 3 CO 0.49 -2.37 0.62 0.82 0.00 0.00 0.00 175.76 175.32 1xwn h ILE 4 N 5.63 1.49 -0.33 0.00 2.04 -2.05 -3.38 117.51 120.90 1xwn h ILE 4 Ca -0.13 -2.33 0.06 0.00 1.00 0.00 0.00 64.86 63.46 1xwn h ILE 4 Cb 1.07 3.03 -0.06 0.00 -0.74 0.00 0.00 36.82 40.11 1xwn h ILE 4 CO 1.01 0.55 -0.07 -0.65 0.00 0.00 0.00 178.15 178.99 1xwn h PRO 5 N -0.89 0.02 -6.30 2.37 0.11 -2.03 -3.41 132.00 121.87 1xwn h PRO 5 Ca -0.13 -0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.44 1xwn h PRO 5 Cb 1.20 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 1xwn h PRO 5 CO -0.04 0.01 0.33 -1.25 -0.21 0.00 0.00 178.00 176.85 1xwn s PRO 6 N -6.21 4.51 -0.27 1.05 0.04 -1.26 -5.03 135.00 127.83 1xwn s PRO 6 Ca -0.14 1.29 -0.18 0.00 0.04 0.00 0.00 61.00 62.02 1xwn s PRO 6 Cb 0.13 -3.47 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1xwn s PRO 6 CO 0.70 -0.06 0.50 -0.51 0.04 0.00 0.00 177.00 177.67 1xwn s ASP 7 N 0.98 6.41 0.05 6.66 1.01 -1.26 -4.93 116.67 125.59 1xwn s ASP 7 Ca 0.48 0.46 0.01 0.00 0.71 0.00 0.00 52.55 54.21 1xwn s ASP 7 Cb -0.20 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1xwn s ASP 7 CO 0.24 -0.29 -0.06 -0.55 0.21 0.00 0.00 175.17 174.72 1xwn s SER 8 N 1.57 0.75 -0.31 0.27 0.15 -1.26 -4.99 113.70 109.88 1xwn s SER 8 Ca 0.20 -0.68 -0.05 0.00 0.70 0.00 0.00 55.95 56.13 1xwn s SER 8 Cb -0.16 0.08 0.01 0.00 -1.71 0.00 0.00 66.02 64.24 1xwn s SER 8 CO 0.10 -0.32 0.17 1.87 1.20 0.00 0.00 173.24 176.26 1xwn n TRP 9 N 1.04 -3.43 -4.57 3.44 -0.00 -1.26 -5.06 117.44 107.60 1xwn n TRP 9 Ca -0.20 1.48 -0.29 0.00 -0.00 0.00 0.00 57.50 58.49 1xwn n TRP 9 Cb 0.57 -3.77 -0.14 0.00 -0.00 0.00 0.00 31.31 27.97 1xwn n TRP 9 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1xwn s GLN 10 N -1.77 1.52 -0.07 5.87 -1.52 -1.26 -5.11 119.66 117.32 1xwn s GLN 10 Ca 0.07 -1.24 -0.30 0.00 -1.95 0.00 0.00 55.36 51.94 1xwn s GLN 10 Cb -0.02 -1.88 -0.04 0.00 -0.22 0.00 0.00 33.01 30.85 1xwn s GLN 10 CO 0.69 0.46 1.39 -1.25 -0.25 0.00 0.00 175.29 176.34 1xwn s PRO 11 N -1.74 4.25 0.14 2.91 0.04 -1.26 -4.94 135.00 134.40 1xwn s PRO 11 Ca 0.12 1.89 -0.11 0.00 0.04 0.00 0.00 61.00 62.94 1xwn s PRO 11 Cb -0.10 -3.72 -0.06 0.00 0.04 0.00 0.00 34.50 30.66 1xwn s PRO 11 CO 0.04 -0.66 1.45 -1.00 0.04 0.00 0.00 177.00 176.87 1xwn h PRO 12 N 8.29 0.93 -6.30 0.56 0.13 -1.89 -3.46 132.00 130.26 1xwn h PRO 12 Ca -0.34 -0.52 -0.46 0.00 -0.87 0.00 0.00 66.00 63.81 1xwn h PRO 12 Cb 1.15 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1xwn h PRO 12 CO 0.93 1.17 -0.34 -0.80 -0.23 0.00 0.00 178.00 178.74 1xwn s ASN 13 N -6.88 5.43 -0.08 1.44 0.02 -1.26 -1.47 114.94 112.14 1xwn s ASN 13 Ca -0.11 -0.52 0.02 0.00 -1.02 0.00 0.00 52.86 51.23 1xwn s ASN 13 Cb 0.11 -0.74 0.02 0.00 0.02 0.00 0.00 41.25 40.66 1xwn s ASN 13 CO 0.89 -0.63 -0.12 -0.69 0.02 0.00 0.00 177.10 176.57 1xwn s VAL 14 N -2.37 1.17 -0.77 1.60 1.01 -0.26 -4.02 120.40 116.76 1xwn s VAL 14 Ca 0.50 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 1xwn s VAL 14 Cb -0.07 -1.09 0.11 0.00 0.00 0.00 0.00 36.38 35.33 1xwn s VAL 14 CO 0.30 0.37 0.98 -0.47 0.00 0.00 0.00 175.10 176.28 1xwn s TYR 15 N 0.97 2.97 -0.96 5.22 6.14 -0.38 -3.33 117.35 127.98 1xwn s TYR 15 Ca -0.09 -1.04 -0.12 0.00 0.64 0.00 0.00 57.07 56.46 1xwn s TYR 15 Cb -0.15 -4.22 0.24 0.00 0.42 0.00 0.00 41.96 38.25 1xwn s TYR 15 CO -0.00 -1.49 0.95 -0.51 0.64 0.00 0.00 175.55 175.14 1xwn s LEU 16 N 3.06 6.44 -1.03 6.97 1.43 -1.18 -0.93 118.68 133.44 1xwn s LEU 16 Ca 0.24 -3.03 -0.22 0.00 -1.03 0.00 0.00 54.13 50.10 1xwn s LEU 16 Cb -0.13 -2.23 0.07 0.00 0.03 0.00 0.00 46.19 43.93 1xwn s LEU 16 CO 0.00 -0.49 1.41 -1.61 0.23 0.00 0.00 176.35 175.89 1xwn s GLU 17 N -0.21 3.63 0.59 1.70 0.41 0.10 -3.20 118.70 121.72 1xwn s GLU 17 Ca 0.25 -1.34 -0.08 0.00 -0.41 0.00 0.00 54.97 53.39 1xwn s GLU 17 Cb -0.09 -5.28 -0.01 0.00 -1.78 0.00 0.00 34.13 26.96 1xwn s GLU 17 CO -0.08 -2.12 0.93 0.95 -0.49 0.00 0.00 175.26 174.44 1xwn s THR 18 N 4.42 4.10 0.27 3.63 -4.23 -0.46 -1.77 115.64 121.61 1xwn s THR 18 Ca 0.44 0.28 0.03 0.00 -1.18 0.00 0.00 61.69 61.26 1xwn s THR 18 Cb -0.01 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.24 1xwn s THR 18 CO -0.08 -0.70 1.68 -1.28 -0.54 0.00 0.00 174.62 173.69 1xwn h SER 19 N -0.19 0.42 0.21 3.99 0.87 -0.48 -2.92 113.55 115.46 1xwn h SER 19 Ca -0.45 -0.17 -0.13 0.00 -1.23 0.00 0.00 61.79 59.81 1xwn h SER 19 Cb 1.23 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1xwn h SER 19 CO 0.62 0.75 -0.47 -0.03 -0.53 0.00 0.00 176.83 177.17 1xwn h MET 20 N 0.34 0.31 0.00 2.24 1.85 -1.77 -3.48 114.93 114.43 1xwn h MET 20 Ca 0.04 -0.17 0.00 0.00 -0.61 0.00 0.00 59.70 58.96 1xwn h MET 20 Cb 0.80 0.01 0.00 0.00 0.43 0.00 0.00 31.60 32.84 1xwn h MET 20 CO 0.06 0.73 0.00 0.41 -0.40 0.00 0.00 176.91 177.71 1xwn n GLY 21 N 0.00 -0.56 3.22 1.39 0.00 -1.10 -5.09 105.19 103.05 1xwn n GLY 21 Ca -0.02 -0.69 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.09 1.79 -0.01 -0.61 2.07 -1.26 -1.35 121.20 118.75 1xwn s ILE 22 Ca 0.00 -0.93 0.00 0.00 -1.41 0.00 0.00 60.65 58.31 1xwn s ILE 22 Cb 0.00 -1.52 0.01 0.00 0.13 0.00 0.00 42.46 41.08 1xwn s ILE 22 CO 0.00 0.50 -0.00 0.27 -1.91 0.00 0.00 174.94 173.80 1xwn s ILE 23 N -0.18 0.07 -0.14 2.00 -4.36 -1.19 -4.64 121.20 112.76 1xwn s ILE 23 Ca -0.01 0.00 -0.02 0.00 -0.26 0.00 0.00 60.65 60.36 1xwn s ILE 23 Cb -0.12 -0.10 -0.03 0.00 1.25 0.00 0.00 42.46 43.47 1xwn s ILE 23 CO 0.02 0.04 -0.06 -0.69 0.24 0.00 0.00 174.94 174.50 1xwn s VAL 24 N 0.21 3.71 0.03 8.37 1.01 0.26 -3.13 120.40 130.86 1xwn s VAL 24 Ca -0.02 -0.43 0.05 0.00 0.00 0.00 0.00 61.98 61.58 1xwn s VAL 24 Cb -0.03 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 1xwn s VAL 24 CO -0.01 0.51 -0.16 -0.76 0.00 0.00 0.00 175.10 174.69 1xwn s LEU 25 N 0.21 2.15 -0.29 3.92 1.43 -1.21 -3.77 118.68 121.13 1xwn s LEU 25 Ca -0.04 -0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1xwn s LEU 25 Cb -0.14 -0.71 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 1xwn s LEU 25 CO 0.03 0.09 0.10 -0.70 0.23 0.00 0.00 176.35 176.10 1xwn s GLU 26 N -1.02 3.34 -0.16 1.70 -6.30 -0.49 -1.11 118.70 114.67 1xwn s GLU 26 Ca 0.04 -0.70 -0.15 0.00 -2.50 0.00 0.00 54.97 51.66 1xwn s GLU 26 Cb -0.08 -3.42 -0.04 0.00 0.00 0.00 0.00 34.13 30.59 1xwn s GLU 26 CO 0.01 -0.36 0.35 -0.51 0.02 0.00 0.00 175.26 174.77 1xwn s LEU 27 N 1.57 4.23 -0.49 2.70 1.02 -0.54 -2.15 118.68 125.03 1xwn s LEU 27 Ca 0.04 0.57 -0.26 0.00 0.02 0.00 0.00 54.13 54.50 1xwn s LEU 27 Cb -0.16 -2.46 -0.05 0.00 0.02 0.00 0.00 46.19 43.53 1xwn s LEU 27 CO 0.04 0.05 2.20 -0.31 0.02 0.00 0.00 176.35 178.35 1xwn s TYR 28 N 0.64 1.29 -1.10 0.29 2.02 -1.21 -4.79 117.35 114.49 1xwn s TYR 28 Ca 0.19 1.20 0.02 0.00 -0.37 0.00 0.00 57.07 58.10 1xwn s TYR 28 Cb -0.14 -3.79 0.08 0.00 -0.40 0.00 0.00 41.96 37.71 1xwn s TYR 28 CO 0.06 -2.63 0.70 -2.67 -1.57 0.00 0.00 175.55 169.44 1xwn n TRP 29 N 14.31 0.19 -0.03 2.71 4.27 -1.26 -1.91 117.44 135.72 1xwn n TRP 29 Ca 0.31 -0.07 -0.03 0.00 -3.89 0.00 0.00 57.50 53.81 1xwn n TRP 29 Cb 0.53 -0.12 -0.01 0.00 -1.36 0.00 0.00 31.31 30.35 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 0.01 0.20 -0.01 -2.67 4.76 -1.26 -4.52 118.16 114.67 1xwn n LYS 30 Ca 0.03 0.08 0.10 0.00 -2.87 0.00 0.00 58.31 55.65 1xwn n LYS 30 Cb 0.30 -0.84 -0.14 0.00 -1.84 0.00 0.00 35.03 32.50 1xwn n LYS 30 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1xwn n HIS 31 N -3.25 0.00 1.08 2.13 -0.00 -1.26 -4.41 115.22 109.52 1xwn n HIS 31 Ca -0.05 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.25 1xwn n HIS 31 Cb 0.20 -0.26 0.25 0.00 -0.12 0.00 0.00 29.99 30.06 1xwn n HIS 31 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1xwn n ALA 32 N -1.89 2.49 -0.41 1.57 0.00 -0.80 -4.55 120.51 116.92 1xwn n ALA 32 Ca -0.00 -0.64 0.34 0.00 0.00 0.00 0.00 53.44 53.14 1xwn n ALA 32 Cb 0.44 -0.94 0.61 0.00 0.00 0.00 0.00 19.45 19.57 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 3.85 0.11 0.35 0.00 0.11 -1.76 0.41 132.00 135.06 1xwn h PRO 33 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1xwn h PRO 33 Cb 0.82 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1xwn h PRO 33 CO 0.00 0.07 -0.17 -0.22 -0.21 0.00 0.00 178.00 177.48 1xwn h LYS 34 N 0.11 -0.45 -0.34 1.05 1.63 -1.93 -1.55 116.57 115.10 1xwn h LYS 34 Ca 0.81 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 60.57 1xwn h LYS 34 Cb 2.38 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 34.10 1xwn h LYS 34 CO -0.49 -0.19 -0.08 1.79 -3.45 0.00 0.00 179.45 177.03 1xwn h THR 35 N -0.65 1.23 -0.28 1.00 1.35 -0.99 -2.80 112.91 111.76 1xwn h THR 35 Ca -0.05 -0.98 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1xwn h THR 35 Cb 0.47 1.06 -0.01 0.00 -1.73 0.00 0.00 68.15 67.93 1xwn h THR 35 CO 0.08 0.33 0.19 0.00 -0.25 0.00 0.00 175.52 175.86 1xwn h LYS 37 N 0.38 1.24 -0.34 0.00 3.64 -1.09 -1.66 116.57 118.75 1xwn h LYS 37 Ca 0.10 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1xwn h LYS 37 Cb -0.04 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.47 1xwn h LYS 37 CO -0.02 0.82 0.17 -0.97 -2.27 0.00 0.00 179.45 177.18 1xwn h ASN 38 N 1.28 0.24 -0.57 4.20 -0.00 -1.18 -1.31 115.58 118.25 1xwn h ASN 38 Ca 0.38 0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.69 1xwn h ASN 38 Cb -0.07 -0.03 -0.03 0.00 -0.00 0.00 0.00 38.32 38.20 1xwn h ASN 38 CO -0.10 0.18 0.33 0.15 -0.00 0.00 0.00 177.43 177.99 1xwn h PHE 39 N 0.35 0.77 0.14 0.67 3.04 -0.86 -0.21 116.94 120.84 1xwn h PHE 39 Ca 0.14 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.09 1xwn h PHE 39 Cb 0.06 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.30 1xwn h PHE 39 CO -0.10 0.54 -0.17 0.00 -2.02 0.00 0.00 178.31 176.56 1xwn h ALA 40 N 1.16 -0.32 -0.61 2.41 0.00 -0.90 -0.33 119.26 120.66 1xwn h ALA 40 Ca 0.20 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1xwn h ALA 40 Cb 0.01 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1xwn h ALA 40 CO -0.04 -0.71 0.21 0.93 0.00 0.00 0.00 179.25 179.64 1xwn h GLU 41 N -0.36 0.91 -0.45 0.00 4.39 -1.13 0.26 114.58 118.19 1xwn h GLU 41 Ca 0.01 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 1xwn h GLU 41 Cb 0.35 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1xwn h GLU 41 CO -0.07 0.77 0.10 -0.07 -1.16 0.00 0.00 179.01 178.59 1xwn h LEU 42 N 0.89 0.64 0.13 1.33 3.38 -0.62 0.30 115.31 121.35 1xwn h LEU 42 Ca 0.20 -0.10 -0.30 0.00 0.09 0.00 0.00 57.88 57.76 1xwn h LEU 42 Cb 0.23 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xwn h LEU 42 CO -0.01 0.64 -1.49 0.00 0.09 0.00 0.00 178.44 177.67 1xwn h ALA 43 N 1.45 0.21 -0.07 1.53 0.00 -0.55 -2.71 119.26 119.11 1xwn h ALA 43 Ca 0.15 -1.06 -0.21 0.00 0.00 0.00 0.00 54.91 53.79 1xwn h ALA 43 Cb 0.27 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xwn h ALA 43 CO -0.00 1.08 -0.83 -0.09 0.00 0.00 0.00 179.25 179.41 1xwn h ARG 44 N 0.08 0.53 -0.61 0.00 2.43 -0.35 -3.23 114.38 113.23 1xwn h ARG 44 Ca -0.23 -0.48 -0.01 0.00 -0.81 0.00 0.00 59.98 58.45 1xwn h ARG 44 Cb 2.02 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 31.66 1xwn h ARG 44 CO 0.18 1.11 0.33 -0.09 -1.51 0.00 0.00 179.97 179.98 1xwn h ARG 45 N 0.34 0.84 0.00 0.20 2.43 -0.55 -3.47 114.38 114.17 1xwn h ARG 45 Ca -0.06 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1xwn h ARG 45 Cb 1.44 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1xwn h ARG 45 CO 0.15 0.63 0.00 0.41 -1.51 0.00 0.00 179.97 179.65 1xwn n GLY 46 N -1.24 1.91 0.12 2.80 0.00 -1.22 -5.05 105.19 102.52 1xwn n GLY 46 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.47 0.21 0.21 1.61 9.36 -1.04 -4.42 117.16 122.61 1xwn n TYR 47 Ca 0.00 0.09 0.05 0.00 3.32 0.00 0.00 57.90 61.35 1xwn n TYR 47 Cb 0.00 -0.94 0.45 0.00 -0.63 0.00 0.00 39.34 38.22 1xwn n TYR 47 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1xwn h TYR 48 N -1.00 0.00 -1.96 2.98 0.05 -1.82 -3.41 116.97 111.81 1xwn h TYR 48 Ca -0.53 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 57.75 1xwn h TYR 48 Cb 1.44 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.16 1xwn h TYR 48 CO -0.11 0.27 1.41 -0.80 -1.05 0.00 0.00 178.16 177.88 1xwn s ASN 49 N -6.90 5.14 0.00 3.88 0.01 -1.26 -2.50 114.94 113.30 1xwn s ASN 49 Ca -0.03 0.62 0.00 0.00 -0.71 0.00 0.00 52.86 52.74 1xwn s ASN 49 Cb 0.15 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.29 1xwn s ASN 49 CO 0.70 -2.43 0.00 0.61 -1.51 0.00 0.00 177.10 174.47 1xwn n GLY 50 N 5.74 2.00 3.63 0.66 0.00 -1.06 -5.00 105.19 111.17 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 -0.51 0.00 0.00 0.00 173.32 172.81 1xwn s THR 51 N -2.00 3.64 0.11 2.61 -4.23 -1.04 -4.96 115.64 109.77 1xwn s THR 51 Ca 0.00 -1.24 0.07 0.00 -1.18 0.00 0.00 61.69 59.34 1xwn s THR 51 Cb 0.00 -2.75 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1xwn s THR 51 CO 0.00 0.05 -0.17 -0.75 -0.54 0.00 0.00 174.62 173.21 1xwn s LYS 52 N -2.45 1.04 0.49 3.99 2.20 -1.26 -0.45 119.74 123.29 1xwn s LYS 52 Ca 0.24 -1.16 -0.24 0.00 -0.36 0.00 0.00 55.97 54.46 1xwn s LYS 52 Cb -0.11 -1.12 -0.07 0.00 -1.51 0.00 0.00 37.83 35.03 1xwn s LYS 52 CO 0.16 0.24 1.39 -0.06 -0.36 0.00 0.00 175.35 176.73 1xwn s PHE 53 N -1.55 2.40 -0.08 4.03 0.40 -1.17 -4.84 117.98 117.17 1xwn s PHE 53 Ca 0.06 1.31 0.01 0.00 -0.60 0.00 0.00 56.93 57.71 1xwn s PHE 53 Cb -0.08 -3.86 -0.06 0.00 0.51 0.00 0.00 43.02 39.53 1xwn s PHE 53 CO 0.04 -2.90 -0.06 -2.39 0.70 0.00 0.00 175.22 170.61 1xwn n HIS 54 N -0.53 0.00 -4.00 0.36 1.44 -1.26 -4.86 115.22 106.37 1xwn n HIS 54 Ca 0.07 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.48 1xwn n HIS 54 Cb 0.43 -0.31 -0.16 0.00 0.12 0.00 0.00 29.99 30.06 1xwn n HIS 54 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1xwn s ARG 55 N -2.16 2.13 -0.27 -1.40 3.52 -1.26 -4.48 118.95 115.03 1xwn s ARG 55 Ca -0.10 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 54.90 1xwn s ARG 55 Cb 0.03 -2.12 0.08 0.00 -1.56 0.00 0.00 34.95 31.38 1xwn s ARG 55 CO 0.20 -0.29 0.05 0.42 -0.81 0.00 0.00 175.30 174.87 1xwn s ILE 56 N 1.49 1.01 -0.34 4.11 1.01 -1.24 -2.58 121.20 124.66 1xwn s ILE 56 Ca 0.03 -1.23 -0.14 0.00 0.00 0.00 0.00 60.65 59.31 1xwn s ILE 56 Cb -0.14 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1xwn s ILE 56 CO -0.10 -0.45 0.32 -0.63 0.00 0.00 0.00 174.94 174.08 1xwn s ILE 57 N 1.58 5.21 0.29 2.92 1.09 -0.84 -4.87 121.20 126.58 1xwn s ILE 57 Ca 0.04 -0.07 -0.29 0.00 -1.10 0.00 0.00 60.65 59.23 1xwn s ILE 57 Cb -0.18 -3.79 -0.10 0.00 -1.06 0.00 0.00 42.46 37.34 1xwn s ILE 57 CO -0.16 -0.07 1.39 -0.75 -0.10 0.00 0.00 174.94 175.25 1xwn s LYS 58 N 1.90 4.29 -1.51 2.79 2.36 -1.26 -2.73 119.74 125.58 1xwn s LYS 58 Ca 0.09 2.28 -0.05 0.00 -2.55 0.00 0.00 55.97 55.75 1xwn s LYS 58 Cb -0.17 -3.09 0.01 0.00 -1.05 0.00 0.00 37.83 33.53 1xwn s LYS 58 CO 0.11 -0.34 0.62 -3.47 1.55 0.00 0.00 175.35 173.83 1xwn n ASP 59 N 1.64 -6.05 0.00 1.43 -0.08 -1.26 -4.81 116.55 107.41 1xwn n ASP 59 Ca 0.04 -0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.03 1xwn n ASP 59 Cb 0.41 -4.86 0.00 0.00 2.34 0.00 0.00 41.12 39.01 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 -4.52 0.00 -3.45 -0.67 7.35 -1.12 -4.85 117.46 110.20 1xwn n PHE 60 Ca -0.11 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.45 1xwn n PHE 60 Cb 0.62 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 40.42 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 0.00 1.19 -0.08 -4.13 0.23 -1.11 -2.89 119.30 112.52 1xwn s MET 61 Ca 0.00 -0.27 0.01 0.00 -1.03 0.00 0.00 55.69 54.40 1xwn s MET 61 Cb 0.00 0.55 0.02 0.00 -1.53 0.00 0.00 34.83 33.87 1xwn s MET 61 CO 0.00 -0.49 -0.08 0.42 -2.03 0.00 0.00 175.02 172.84 1xwn s ILE 62 N -3.04 0.95 0.08 3.16 1.01 -1.00 -1.98 121.20 120.37 1xwn s ILE 62 Ca -0.02 -0.30 0.06 0.00 0.00 0.00 0.00 60.65 60.39 1xwn s ILE 62 Cb -0.01 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.49 1xwn s ILE 62 CO -0.07 0.33 -0.09 0.00 0.00 0.00 0.00 174.94 175.12 1xwn s GLN 63 N 1.24 2.24 -0.19 2.79 -2.07 -1.07 0.11 119.66 122.73 1xwn s GLN 63 Ca -0.04 -0.95 -0.05 0.00 -1.82 0.00 0.00 55.36 52.50 1xwn s GLN 63 Cb -0.14 -2.36 0.07 0.00 -1.09 0.00 0.00 33.01 29.49 1xwn s GLN 63 CO -0.03 0.53 0.14 0.20 -1.32 0.00 0.00 175.29 174.81 1xwn s GLY 64 N -2.05 0.24 0.36 2.60 0.00 0.47 -4.09 107.32 104.85 1xwn s GLY 64 Ca 0.21 -0.15 -0.15 0.00 0.00 0.00 0.00 44.72 44.63 1xwn s GLY 64 CO 0.13 1.89 0.80 0.61 0.00 0.00 0.00 173.10 176.52 1xwn n GLY 65 N 5.29 0.97 2.87 0.20 0.00 -1.26 -3.36 105.19 109.90 1xwn n GLY 65 Ca -0.06 -1.24 -0.28 0.00 0.00 0.00 0.00 46.02 44.44 1xwn n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xwn n ASP 66 N -1.49 4.52 0.17 1.61 9.92 0.13 -4.90 116.55 126.50 1xwn n ASP 66 Ca -0.08 -3.66 -0.14 0.00 -0.53 0.00 0.00 54.79 50.38 1xwn n ASP 66 Cb 0.58 -0.60 -0.08 0.00 -0.64 0.00 0.00 41.12 40.38 1xwn n ASP 66 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1xwn h PRO 67 N 3.17 -0.39 0.00 -0.24 0.13 -1.91 -3.43 132.00 129.33 1xwn h PRO 67 Ca 0.15 0.03 -0.11 0.00 -0.87 0.00 0.00 66.00 65.20 1xwn h PRO 67 Cb 0.51 0.09 -0.09 0.00 0.13 0.00 0.00 31.00 31.64 1xwn h PRO 67 CO 0.84 -0.13 -0.16 0.25 -0.23 0.00 0.00 178.00 178.57 1xwn n THR 68 N -5.18 0.00 -1.34 1.56 -2.24 -1.26 -4.43 114.28 101.39 1xwn n THR 68 Ca -0.10 -0.66 -0.38 0.00 -2.27 0.00 0.00 64.05 60.64 1xwn n THR 68 Cb 0.24 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.25 1xwn n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xwn n GLY 69 N -0.91 3.93 0.12 3.38 0.00 -1.26 -3.20 105.19 107.25 1xwn n GLY 69 Ca -0.11 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 4.46 0.00 0.00 2.61 5.66 -1.26 -5.07 114.28 120.68 1xwn n THR 70 Ca 0.61 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.61 1xwn n THR 70 Cb 0.29 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.07 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 -0.83 1.59 3.25 1.09 0.00 -1.19 -4.92 105.19 104.17 1xwn n GLY 71 Ca 0.00 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 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 -6.28 -3.85 1.61 3.00 -1.26 -4.98 116.66 104.91 1xwn n ARG 72 Ca 0.00 0.84 -0.30 0.00 -0.01 0.00 0.00 57.85 58.38 1xwn n ARG 72 Cb 0.00 -5.71 -0.14 0.00 0.00 0.00 0.00 32.46 26.61 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 -3.03 2.06 -0.28 -0.13 0.00 -1.26 -5.03 107.32 99.64 1xwn s GLY 73 Ca 0.44 -2.90 0.02 0.00 0.00 0.00 0.00 44.72 42.27 1xwn s GLY 73 CO 0.54 1.24 0.48 -0.32 0.00 0.00 0.00 173.10 175.04 1xwn s GLY 74 N 0.10 -0.81 -0.01 0.20 0.00 -1.26 -4.44 107.32 101.10 1xwn s GLY 74 Ca 0.17 0.79 -0.00 0.00 0.00 0.00 0.00 44.72 45.67 1xwn s GLY 74 CO -0.01 3.22 0.02 0.00 0.00 0.00 0.00 173.10 176.33 1xwn s ALA 75 N 2.67 0.00 0.37 3.20 0.00 -1.26 -4.78 121.76 121.96 1xwn s ALA 75 Ca 0.12 0.15 0.08 0.00 0.00 0.00 0.00 51.96 52.31 1xwn s ALA 75 Cb -0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 1xwn s ALA 75 CO -0.26 -0.05 0.14 0.45 0.00 0.00 0.00 175.76 176.05 1xwn s SER 76 N 0.42 4.51 0.28 0.00 0.15 -0.82 -5.00 113.70 113.25 1xwn s SER 76 Ca -0.03 -0.93 -0.00 0.00 0.70 0.00 0.00 55.95 55.68 1xwn s SER 76 Cb -0.05 -0.59 0.48 0.00 -1.71 0.00 0.00 66.02 64.15 1xwn s SER 76 CO -0.01 -0.40 1.89 0.16 1.20 0.00 0.00 173.24 176.08 1xwn h ILE 77 N 1.53 1.06 0.03 6.45 3.07 -2.00 -1.74 117.51 125.90 1xwn h ILE 77 Ca -0.43 -0.37 -0.23 0.00 1.55 0.00 0.00 64.86 65.38 1xwn h ILE 77 Cb 1.25 -0.13 -0.02 0.00 -0.27 0.00 0.00 36.82 37.65 1xwn h ILE 77 CO 0.66 0.20 -1.07 1.88 -1.05 0.00 0.00 178.15 178.77 1xwn h TYR 78 N 1.09 0.10 0.00 0.16 0.05 -2.00 -3.50 116.97 112.87 1xwn h TYR 78 Ca 0.42 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 59.13 1xwn h TYR 78 Cb 0.23 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.96 1xwn h TYR 78 CO -0.00 1.06 0.00 0.41 -1.05 0.00 0.00 178.16 178.58 1xwn n GLY 79 N 1.39 -0.00 0.25 3.88 0.00 -0.66 -4.96 105.19 105.09 1xwn n GLY 79 Ca -0.02 -1.57 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 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 2.98 -0.55 -4.32 1.61 1.63 -1.86 -2.17 116.57 113.89 1xwn h LYS 80 Ca 0.00 0.04 -0.33 0.00 -0.85 0.00 0.00 60.65 59.50 1xwn h LYS 80 Cb 0.00 0.13 -0.29 0.00 -0.60 0.00 0.00 32.23 31.47 1xwn h LYS 80 CO 0.00 -0.29 -0.76 -0.65 -3.45 0.00 0.00 179.45 174.30 1xwn s GLN 81 N -5.45 0.47 0.39 1.90 1.11 -1.26 -4.71 119.66 112.11 1xwn s GLN 81 Ca -0.15 -0.19 0.05 0.00 0.01 0.00 0.00 55.36 55.07 1xwn s GLN 81 Cb 0.03 -0.46 -0.06 0.00 -1.01 0.00 0.00 33.01 31.52 1xwn s GLN 81 CO 0.59 0.10 0.04 -0.59 0.01 0.00 0.00 175.29 175.44 1xwn s PHE 82 N -0.05 2.15 1.28 0.91 -0.71 -1.26 -4.90 117.98 115.41 1xwn s PHE 82 Ca 0.01 -0.88 -0.21 0.00 -1.04 0.00 0.00 56.93 54.81 1xwn s PHE 82 Cb -0.03 -1.51 0.32 0.00 -1.21 0.00 0.00 43.02 40.58 1xwn s PHE 82 CO -0.00 0.18 1.07 -1.21 -1.34 0.00 0.00 175.22 173.92 1xwn s GLU 83 N -3.80 -1.87 0.28 1.99 8.01 -1.26 -2.78 118.70 119.26 1xwn s GLU 83 Ca 0.30 -0.11 0.11 0.00 0.01 0.00 0.00 54.97 55.29 1xwn s GLU 83 Cb 0.08 -1.52 -0.05 0.00 -4.31 0.00 0.00 34.13 28.32 1xwn s GLU 83 CO 0.15 -4.13 -0.15 0.34 0.01 0.00 0.00 175.26 171.48 1xwn s ASP 84 N -3.79 3.84 -0.66 -0.19 2.15 -1.26 -4.65 116.67 112.11 1xwn s ASP 84 Ca 0.71 -0.93 0.05 0.00 0.43 0.00 0.00 52.55 52.82 1xwn s ASP 84 Cb -0.09 -0.44 0.21 0.00 -0.30 0.00 0.00 42.92 42.29 1xwn s ASP 84 CO 0.56 0.03 0.60 -0.62 -0.17 0.00 0.00 175.17 175.58 1xwn n GLU 85 N -0.68 2.06 -5.15 4.34 4.71 -1.26 -5.05 120.64 119.61 1xwn n GLU 85 Ca -0.05 -4.50 -0.31 0.00 -0.01 0.00 0.00 57.16 52.28 1xwn n GLU 85 Cb 0.60 -2.23 -0.15 0.00 -1.01 0.00 0.00 31.44 28.65 1xwn n GLU 85 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1xwn s LEU 86 N -1.86 2.19 0.27 -4.62 0.20 -1.26 -4.94 118.68 108.65 1xwn s LEU 86 Ca 0.32 -0.45 0.00 0.00 0.69 0.00 0.00 54.13 54.69 1xwn s LEU 86 Cb 0.05 -1.37 0.00 0.00 -0.43 0.00 0.00 46.19 44.44 1xwn s LEU 86 CO -0.10 0.31 0.00 1.41 -0.29 0.00 0.00 176.35 177.68 1xwn n HIS 87 N 2.25 -3.61 -1.47 5.38 8.25 -1.26 -5.16 115.22 119.61 1xwn n HIS 87 Ca -0.16 0.92 -0.29 0.00 -0.26 0.00 0.00 57.72 57.93 1xwn n HIS 87 Cb 0.51 2.47 0.17 0.00 1.12 0.00 0.00 29.99 34.26 1xwn n HIS 87 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1xwn s PRO 88 N -1.67 0.55 -0.54 -0.41 0.04 -1.26 -5.03 135.00 126.68 1xwn s PRO 88 Ca 0.00 0.15 -0.05 0.00 0.04 0.00 0.00 61.00 61.14 1xwn s PRO 88 Cb 0.00 -1.78 0.14 0.00 0.04 0.00 0.00 34.50 32.90 1xwn s PRO 88 CO 0.00 -2.57 0.37 0.34 0.04 0.00 0.00 177.00 175.18 1xwn s ASP 89 N -4.07 5.46 0.63 6.66 -1.08 -1.26 -5.09 116.67 117.93 1xwn s ASP 89 Ca 0.67 -2.38 -0.01 0.00 -0.52 0.00 0.00 52.55 50.31 1xwn s ASP 89 Cb -0.13 -1.91 0.07 0.00 -1.46 0.00 0.00 42.92 39.50 1xwn s ASP 89 CO 0.54 -0.51 0.88 -0.76 0.52 0.00 0.00 175.17 175.84 1xwn s LEU 90 N 0.64 3.11 0.79 -1.34 1.02 -1.26 -5.08 118.68 116.56 1xwn s LEU 90 Ca 0.12 -0.07 -0.11 0.00 0.02 0.00 0.00 54.13 54.08 1xwn s LEU 90 Cb -0.22 -2.59 0.07 0.00 0.02 0.00 0.00 46.19 43.47 1xwn s LEU 90 CO -0.03 -1.46 1.11 -0.75 0.02 0.00 0.00 176.35 175.24 1xwn s LYS 91 N -4.96 2.06 -0.31 1.70 2.47 -1.26 -5.00 119.74 114.44 1xwn s LYS 91 Ca 0.61 1.29 0.11 0.00 -1.56 0.00 0.00 55.97 56.42 1xwn s LYS 91 Cb -0.09 -1.87 0.36 0.00 -1.46 0.00 0.00 37.83 34.78 1xwn s LYS 91 CO 0.41 -1.81 1.41 0.34 0.16 0.00 0.00 175.35 175.86 1xwn n PHE 92 N -3.51 -1.89 0.00 4.03 -0.00 -1.26 -4.99 117.46 109.84 1xwn n PHE 92 Ca 0.10 -1.55 0.00 0.00 -0.00 0.00 0.00 57.45 56.00 1xwn n PHE 92 Cb 0.53 1.46 0.00 0.00 -0.00 0.00 0.00 39.48 41.47 1xwn n PHE 92 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 1xwn n THR 93 N -1.24 0.00 -1.68 -2.13 5.66 -1.26 -3.75 114.28 109.88 1xwn n THR 93 Ca -0.14 0.00 -0.48 0.00 -3.05 0.00 0.00 64.05 60.38 1xwn n THR 93 Cb 0.83 -0.21 -0.05 0.00 -1.55 0.00 0.00 70.33 69.35 1xwn n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xwn n GLY 94 N 0.28 1.41 3.62 1.09 0.00 -1.26 -2.96 105.19 107.36 1xwn n GLY 94 Ca 0.00 0.82 -0.55 0.00 0.00 0.00 0.00 46.02 46.29 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 6.03 -1.19 0.00 4.61 0.00 -1.26 -4.11 120.51 124.58 1xwn n ALA 95 Ca 0.21 0.50 0.00 0.00 0.00 0.00 0.00 53.44 54.15 1xwn n ALA 95 Cb 0.30 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 2.89 0.82 3.06 0.00 0.00 0.48 -4.94 105.19 107.50 1xwn n GLY 96 Ca 0.21 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.22 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 -1.71 0.98 -0.41 -0.61 -1.09 -0.95 -3.25 121.20 114.15 1xwn s ILE 97 Ca 0.00 -0.50 -0.05 0.00 -2.23 0.00 0.00 60.65 57.88 1xwn s ILE 97 Cb 0.00 -0.84 0.10 0.00 -1.58 0.00 0.00 42.46 40.14 1xwn s ILE 97 CO 0.00 0.29 0.21 -0.22 -1.23 0.00 0.00 174.94 173.99 1xwn s LEU 98 N -0.07 5.16 0.04 2.97 2.96 -0.56 -1.23 118.68 127.95 1xwn s LEU 98 Ca 0.01 -1.84 0.04 0.00 -0.22 0.00 0.00 54.13 52.11 1xwn s LEU 98 Cb -0.07 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1xwn s LEU 98 CO 0.00 -0.54 -0.04 0.00 -1.32 0.00 0.00 176.35 174.46 1xwn s ALA 99 N 1.24 3.14 0.08 5.97 0.00 -1.13 0.83 121.76 131.89 1xwn s ALA 99 Ca 0.06 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 1xwn s ALA 99 Cb -0.23 -1.15 -0.05 0.00 0.00 0.00 0.00 23.12 21.68 1xwn s ALA 99 CO -0.02 0.65 0.99 -1.64 0.00 0.00 0.00 175.76 175.74 1xwn s MET 100 N -1.80 4.63 0.29 0.00 -1.94 0.31 -2.81 119.30 117.98 1xwn s MET 100 Ca 0.21 1.48 -0.28 0.00 -1.71 0.00 0.00 55.69 55.39 1xwn s MET 100 Cb -0.11 -3.39 -0.09 0.00 2.01 0.00 0.00 34.83 33.24 1xwn s MET 100 CO 0.12 0.10 0.95 0.00 -0.01 0.00 0.00 175.02 176.17 1xwn s ALA 101 N 0.34 3.26 -0.11 3.03 0.00 -1.06 -2.90 121.76 124.33 1xwn s ALA 101 Ca 0.49 0.57 -0.04 0.00 0.00 0.00 0.00 51.96 52.99 1xwn s ALA 101 Cb -0.24 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 19.74 1xwn s ALA 101 CO 0.30 0.18 0.16 0.54 0.00 0.00 0.00 175.76 176.93 1xwn s ASN 102 N -1.43 0.99 0.31 0.00 4.22 -1.26 -3.81 114.94 113.97 1xwn s ASN 102 Ca 0.46 0.16 0.05 0.00 -2.14 0.00 0.00 52.86 51.40 1xwn s ASN 102 Cb -0.22 0.23 0.51 0.00 1.28 0.00 0.00 41.25 43.05 1xwn s ASN 102 CO 0.27 -0.27 1.76 0.00 -2.04 0.00 0.00 177.10 176.83 1xwn h ALA 103 N 8.37 1.20 -3.00 3.54 0.00 -1.91 -3.47 119.26 123.98 1xwn h ALA 103 Ca -0.14 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 1xwn h ALA 103 Cb 1.12 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1xwn h ALA 103 CO 0.17 0.52 0.25 0.20 0.00 0.00 0.00 179.25 180.40 1xwn s GLY 104 N -4.08 0.47 0.16 0.00 0.00 -1.23 -5.08 107.32 97.56 1xwn s GLY 104 Ca -0.06 -0.83 -0.31 0.00 0.00 0.00 0.00 44.72 43.52 1xwn s GLY 104 CO 0.77 -0.37 1.65 2.56 0.00 0.00 0.00 173.10 177.72 1xwn s PRO 105 N -2.22 4.18 -1.53 2.90 0.04 -1.26 -2.15 135.00 134.95 1xwn s PRO 105 Ca 0.17 2.45 -0.05 0.00 0.04 0.00 0.00 61.00 63.60 1xwn s PRO 105 Cb -0.05 -3.25 0.01 0.00 0.04 0.00 0.00 34.50 31.25 1xwn s PRO 105 CO 0.12 -0.69 0.61 -0.25 0.04 0.00 0.00 177.00 176.83 1xwn n ASP 106 N 4.43 -5.91 -3.41 6.66 8.00 -1.26 -4.96 116.55 120.10 1xwn n ASP 106 Ca 0.15 -0.30 -0.24 0.00 0.71 0.00 0.00 54.79 55.11 1xwn n ASP 106 Cb 0.38 -4.78 -0.10 0.00 -0.02 0.00 0.00 41.12 36.60 1xwn n ASP 106 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xwn s THR 107 N -3.16 -0.04 0.17 -3.53 2.01 -0.91 -4.18 115.64 106.00 1xwn s THR 107 Ca 0.32 -1.49 0.05 0.00 0.31 0.00 0.00 61.69 60.88 1xwn s THR 107 Cb -0.15 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.39 1xwn s THR 107 CO 0.40 -0.85 0.13 0.20 -0.69 0.00 0.00 174.62 173.81 1xwn s ASN 108 N 1.13 5.45 0.00 3.53 0.01 -1.12 -2.86 114.94 121.09 1xwn s ASN 108 Ca 0.19 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.17 1xwn s ASN 108 Cb -0.18 -1.40 0.00 0.00 0.41 0.00 0.00 41.25 40.08 1xwn s ASN 108 CO -0.01 0.06 0.00 0.61 -1.51 0.00 0.00 177.10 176.25 1xwn n GLY 109 N -0.41 5.30 2.71 0.66 0.00 -1.25 -4.02 105.19 108.18 1xwn n GLY 109 Ca -0.08 -1.90 -0.41 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.01 7.15 -3.66 1.61 7.64 -1.26 -4.89 113.62 119.20 1xwn n SER 110 Ca 0.00 -3.64 -0.12 0.00 1.01 0.00 0.00 58.87 56.12 1xwn n SER 110 Cb 0.00 -1.18 -0.06 0.00 -1.01 0.00 0.00 64.21 61.96 1xwn n SER 110 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwn s GLN 111 N -4.04 0.95 0.13 1.43 -2.07 -1.26 0.19 119.66 114.99 1xwn s GLN 111 Ca 0.38 -0.43 -0.13 0.00 -1.82 0.00 0.00 55.36 53.35 1xwn s GLN 111 Cb 0.17 0.42 0.02 0.00 -1.09 0.00 0.00 33.01 32.53 1xwn s GLN 111 CO -0.09 -0.34 0.34 -0.59 -1.32 0.00 0.00 175.29 173.29 1xwn s PHE 112 N -2.75 -0.02 0.00 9.60 -0.12 -1.21 -2.58 117.98 120.90 1xwn s PHE 112 Ca -0.04 -0.34 0.04 0.00 -0.05 0.00 0.00 56.93 56.55 1xwn s PHE 112 Cb -0.00 0.14 -0.01 0.00 -0.63 0.00 0.00 43.02 42.52 1xwn s PHE 112 CO -0.04 -0.68 -0.12 -0.59 -0.05 0.00 0.00 175.22 173.74 1xwn s PHE 113 N -3.85 1.09 -0.38 3.49 -0.71 -1.12 -0.40 117.98 116.10 1xwn s PHE 113 Ca 0.06 -0.24 -0.12 0.00 -1.04 0.00 0.00 56.93 55.59 1xwn s PHE 113 Cb 0.03 -0.69 0.02 0.00 -1.21 0.00 0.00 43.02 41.17 1xwn s PHE 113 CO -0.10 -0.01 0.24 0.08 -1.34 0.00 0.00 175.22 174.09 1xwn s VAL 114 N -0.41 4.84 -0.49 -2.49 1.01 0.12 -2.82 120.40 120.15 1xwn s VAL 114 Ca 0.04 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.00 1xwn s VAL 114 Cb -0.05 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1xwn s VAL 114 CO -0.00 -0.24 1.07 0.42 0.00 0.00 0.00 175.10 176.35 1xwn s THR 115 N 1.61 4.26 -1.35 3.92 -4.23 -0.36 -2.37 115.64 117.12 1xwn s THR 115 Ca 0.03 0.97 0.18 0.00 -1.18 0.00 0.00 61.69 61.70 1xwn s THR 115 Cb -0.19 -4.57 -0.08 0.00 1.34 0.00 0.00 72.50 69.00 1xwn s THR 115 CO 0.08 -1.02 0.86 0.00 -0.54 0.00 0.00 174.62 174.00 1xwn n LEU 116 N 7.72 1.40 -4.27 4.79 -0.00 -1.19 -0.39 117.00 125.06 1xwn n LEU 116 Ca 0.09 -0.66 -0.28 0.00 -0.00 0.00 0.00 56.01 55.17 1xwn n LEU 116 Cb 0.49 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.76 1xwn n LEU 116 CO 0.69 0.29 -0.54 0.00 -0.00 0.00 0.00 177.39 177.83 1xwn s ALA 117 N -2.33 1.92 -0.04 1.47 0.00 -1.14 -4.24 121.76 117.40 1xwn s ALA 117 Ca 0.12 -1.07 -0.35 0.00 0.00 0.00 0.00 51.96 50.66 1xwn s ALA 117 Cb 0.14 -0.43 -0.13 0.00 0.00 0.00 0.00 23.12 22.71 1xwn s ALA 117 CO 0.57 0.45 1.79 -2.30 0.00 0.00 0.00 175.76 176.27 1xwn n PRO 118 N 2.10 2.06 -3.89 0.00 -0.02 -1.16 -4.81 135.00 129.28 1xwn n PRO 118 Ca -0.16 0.75 -0.29 0.00 -2.02 0.00 0.00 63.50 61.78 1xwn n PRO 118 Cb 0.53 -2.56 -0.16 0.00 -0.02 0.00 0.00 33.50 31.28 1xwn n PRO 118 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xwn s THR 119 N 3.21 1.19 -0.20 3.45 -4.23 -1.25 -4.99 115.64 112.83 1xwn s THR 119 Ca 0.90 -0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 60.50 1xwn s THR 119 Cb -0.73 -1.45 -0.20 0.00 1.34 0.00 0.00 72.50 71.47 1xwn s THR 119 CO 0.49 -0.00 0.04 0.00 -0.54 0.00 0.00 174.62 174.61 1xwn n GLN 120 N 4.82 0.67 0.12 3.99 6.02 -1.26 -3.55 117.38 128.19 1xwn n GLN 120 Ca -0.12 0.27 -0.00 0.00 -0.01 0.00 0.00 57.00 57.14 1xwn n GLN 120 Cb 0.46 -1.62 0.28 0.00 1.02 0.00 0.00 30.24 30.39 1xwn n GLN 120 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1xwn h TRP 121 N -0.25 0.22 -0.01 1.08 0.09 -1.96 -2.53 115.95 112.60 1xwn h TRP 121 Ca -0.51 -0.05 0.00 0.00 0.09 0.00 0.00 58.89 58.42 1xwn h TRP 121 Cb 1.83 -0.05 0.00 0.00 0.08 0.00 0.00 29.16 31.02 1xwn h TRP 121 CO 0.04 0.52 -0.11 1.28 0.09 0.00 0.00 178.44 180.27 1xwn n LEU 122 N -4.09 1.19 -4.57 0.11 4.77 -1.26 -4.71 117.00 108.45 1xwn n LEU 122 Ca -0.01 -0.36 -0.26 0.00 -0.03 0.00 0.00 56.01 55.35 1xwn n LEU 122 Cb 0.42 -0.06 -0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1xwn n LEU 122 CO 0.40 0.21 1.39 -0.62 -1.33 0.00 0.00 177.39 177.44 1xwn s ASP 123 N -2.23 4.95 0.00 -1.43 -1.08 -0.95 -1.84 116.67 114.09 1xwn s ASP 123 Ca 0.32 -1.06 0.00 0.00 -0.52 0.00 0.00 52.55 51.29 1xwn s ASP 123 Cb 0.20 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1xwn s ASP 123 CO 0.42 -3.04 0.00 0.61 0.52 0.00 0.00 175.17 173.68 1xwn n GLY 124 N 6.39 1.26 0.25 2.66 0.00 -1.26 -5.01 105.19 109.48 1xwn n GLY 124 Ca 0.42 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.43 -6.14 1.61 1.57 -1.65 -3.43 116.57 108.11 1xwn h LYS 125 Ca 0.00 0.03 -0.53 0.00 -1.87 0.00 0.00 60.65 58.28 1xwn h LYS 125 Cb 0.00 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 1xwn h LYS 125 CO 0.00 -0.29 -0.49 -1.01 -0.57 0.00 0.00 179.45 177.09 1xwn s HIS 126 N -6.09 3.34 0.26 -1.35 3.76 -1.26 -4.96 115.29 108.98 1xwn s HIS 126 Ca -0.15 0.02 -0.09 0.00 -0.15 0.00 0.00 55.06 54.68 1xwn s HIS 126 Cb 0.07 -1.57 -0.07 0.00 1.11 0.00 0.00 32.58 32.12 1xwn s HIS 126 CO 0.65 0.50 0.58 0.99 -0.85 0.00 0.00 174.74 176.61 1xwn s THR 127 N -1.85 4.91 0.96 1.30 2.01 -1.14 -4.96 115.64 116.88 1xwn s THR 127 Ca 0.33 0.47 -0.16 0.00 0.31 0.00 0.00 61.69 62.63 1xwn s THR 127 Cb -0.10 -3.64 0.22 0.00 0.01 0.00 0.00 72.50 69.00 1xwn s THR 127 CO 0.27 -0.14 1.31 0.00 -0.69 0.00 0.00 174.62 175.36 1xwn n ILE 128 N -0.33 0.00 0.00 1.82 3.06 -1.26 0.12 119.36 122.76 1xwn n ILE 128 Ca 0.01 -0.96 0.00 0.00 -2.50 0.00 0.00 62.75 59.30 1xwn n ILE 128 Cb 0.53 -1.52 0.00 0.00 0.54 0.00 0.00 39.64 39.19 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 -3.82 0.00 -3.95 9.51 1.16 -1.05 -3.51 117.46 115.80 1xwn n PHE 129 Ca 0.16 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.62 1xwn n PHE 129 Cb 0.57 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.43 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 -0.65 1.04 0.09 4.97 0.00 0.24 -3.36 107.32 109.64 1xwn s GLY 130 Ca 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 44.72 43.48 1xwn s GLY 130 CO 0.00 -0.69 0.08 -1.60 0.00 0.00 0.00 173.10 170.89 1xwn s ARG 131 N -2.49 0.80 -0.28 2.90 3.52 -0.91 -1.50 118.95 120.99 1xwn s ARG 131 Ca 0.24 -1.21 0.02 0.00 -0.13 0.00 0.00 55.73 54.65 1xwn s ARG 131 Cb -0.03 0.27 0.08 0.00 -1.56 0.00 0.00 34.95 33.71 1xwn s ARG 131 CO 0.17 -0.22 -0.00 0.54 -0.81 0.00 0.00 175.30 174.98 1xwn s VAL 132 N -3.94 1.70 -0.21 7.11 0.11 -1.20 -1.40 120.40 122.56 1xwn s VAL 132 Ca 0.12 -1.63 0.02 0.00 -2.93 0.00 0.00 61.98 57.57 1xwn s VAL 132 Cb 0.07 -2.09 -0.20 0.00 -1.53 0.00 0.00 36.38 32.63 1xwn s VAL 132 CO -0.06 -0.34 -0.03 0.00 -3.33 0.00 0.00 175.10 171.34 1xwn s GLN 134 N -2.53 1.61 0.00 0.00 0.74 -1.25 -4.72 119.66 113.51 1xwn s GLN 134 Ca -0.28 -2.36 0.00 0.00 0.05 0.00 0.00 55.36 52.77 1xwn s GLN 134 Cb 0.08 -2.70 0.00 0.00 1.10 0.00 0.00 33.01 31.49 1xwn s GLN 134 CO 0.67 -1.17 0.00 0.41 -0.55 0.00 0.00 175.29 174.65 1xwn n GLY 135 N 3.18 0.14 0.37 2.59 0.00 -1.26 0.90 105.19 111.11 1xwn n GLY 135 Ca 0.10 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.41 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 0.20 -0.76 -0.61 2.10 -1.85 0.38 117.51 116.98 1xwn h ILE 136 Ca 0.00 -0.07 0.04 0.00 1.08 0.00 0.00 64.86 65.91 1xwn h ILE 136 Cb 0.00 -0.01 -0.04 0.00 -1.09 0.00 0.00 36.82 35.67 1xwn h ILE 136 CO 0.00 0.04 0.50 1.23 -1.08 0.00 0.00 178.15 178.84 1xwn h GLY 137 N 0.20 1.06 1.53 8.18 0.00 -1.95 0.99 103.07 113.08 1xwn h GLY 137 Ca 0.77 -0.36 -0.23 0.00 0.00 0.00 0.00 47.33 47.52 1xwn h GLY 137 CO -0.58 0.29 -0.95 1.98 0.00 0.00 0.00 176.54 177.28 1xwn h MET 138 N 0.90 0.42 0.46 4.80 1.85 -0.57 -2.52 114.93 120.27 1xwn h MET 138 Ca 0.31 -0.46 -0.02 0.00 -0.61 0.00 0.00 59.70 58.92 1xwn h MET 138 Cb 0.11 0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.28 1xwn h MET 138 CO -0.10 1.12 -0.22 0.28 -0.40 0.00 0.00 176.91 177.60 1xwn h VAL 139 N 0.24 0.41 0.00 -5.77 2.07 -0.80 -3.09 116.25 109.30 1xwn h VAL 139 Ca -0.08 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 1xwn h VAL 139 Cb 1.59 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1xwn h VAL 139 CO 0.17 0.07 -0.07 -0.55 0.02 0.00 0.00 177.57 177.20 1xwn h ASN 140 N -0.95 0.00 -0.46 0.57 7.08 -0.96 -2.18 115.58 118.68 1xwn h ASN 140 Ca -0.06 0.00 0.04 0.00 -3.08 0.00 0.00 56.30 53.20 1xwn h ASN 140 Cb 0.58 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.79 1xwn h ASN 140 CO 0.10 0.07 0.31 0.03 -2.08 0.00 0.00 177.43 175.86 1xwn h ARG 141 N 0.00 0.47 -0.43 4.14 3.08 -1.36 -1.25 114.38 119.02 1xwn h ARG 141 Ca -0.00 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 59.97 1xwn h ARG 141 Cb 0.22 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1xwn h ARG 141 CO 0.01 0.31 0.06 0.28 -1.07 0.00 0.00 179.97 179.56 1xwn h VAL 142 N 0.48 1.21 -0.25 2.04 2.07 -1.41 -2.84 116.25 117.55 1xwn h VAL 142 Ca 0.19 -0.79 -0.19 0.00 0.82 0.00 0.00 66.70 66.73 1xwn h VAL 142 Cb 0.16 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1xwn h VAL 142 CO -0.05 0.28 -0.59 1.23 0.02 0.00 0.00 177.57 178.46 1xwn h GLY 143 N 0.89 0.91 0.37 2.17 0.00 -1.37 -3.28 103.07 102.76 1xwn h GLY 143 Ca 0.14 -1.10 0.05 0.00 0.00 0.00 0.00 47.33 46.42 1xwn h GLY 143 CO 0.00 0.99 -0.15 -0.33 0.00 0.00 0.00 176.54 177.06 1xwn h MET 144 N 0.62 -0.14 -6.61 4.80 2.07 -1.22 -3.40 114.93 111.06 1xwn h MET 144 Ca 0.00 0.01 -0.59 0.00 -2.07 0.00 0.00 59.70 57.05 1xwn h MET 144 Cb 1.20 0.03 0.13 0.00 -1.87 0.00 0.00 31.60 31.09 1xwn h MET 144 CO 0.13 -0.09 0.15 1.55 1.07 0.00 0.00 176.91 179.72 1xwn n VAL 145 N -5.30 2.33 -1.91 -2.22 3.14 -1.16 -4.86 118.33 108.35 1xwn n VAL 145 Ca -0.01 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.44 1xwn n VAL 145 Cb 0.22 -1.12 -0.03 0.00 -1.06 0.00 0.00 33.84 31.85 1xwn n VAL 145 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1xwn s GLU 146 N -1.93 4.18 0.72 1.45 2.12 -1.26 -4.97 118.70 119.02 1xwn s GLU 146 Ca 0.62 2.33 0.01 0.00 0.36 0.00 0.00 54.97 58.29 1xwn s GLU 146 Cb -0.58 -3.85 0.14 0.00 0.26 0.00 0.00 34.13 30.10 1xwn s GLU 146 CO 0.57 -0.82 0.99 0.95 -0.54 0.00 0.00 175.26 176.42 1xwn s THR 147 N 3.50 2.06 0.00 -1.70 -4.23 -1.26 -3.87 115.64 110.14 1xwn s THR 147 Ca 0.76 -0.65 -0.00 0.00 -1.18 0.00 0.00 61.69 60.62 1xwn s THR 147 Cb -0.38 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1xwn s THR 147 CO 0.33 0.00 0.01 -3.20 -0.54 0.00 0.00 174.62 171.21 1xwn n ASN 148 N -2.81 -0.03 -2.10 3.99 2.85 0.60 -4.85 115.26 112.90 1xwn n ASN 148 Ca 0.16 -0.99 -0.18 0.00 -0.11 0.00 0.00 54.58 53.47 1xwn n ASN 148 Cb 0.61 -0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.58 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 -3.00 6.07 0.00 1.20 7.64 -1.26 -4.43 113.62 119.84 1xwn n SER 149 Ca 0.00 -2.91 0.00 0.00 1.01 0.00 0.00 58.87 56.97 1xwn n SER 149 Cb 0.00 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 61.99 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 1.16 0.00 -0.75 1.43 1.13 -1.26 -5.02 117.38 114.07 1xwn n GLN 150 Ca 0.37 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.39 1xwn n GLN 150 Cb 0.63 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.95 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xwn n ASP 151 N -1.03 -0.47 -4.57 1.08 5.68 -1.26 -4.97 116.55 111.01 1xwn n ASP 151 Ca 0.00 -0.95 -0.39 0.00 -0.50 0.00 0.00 54.79 52.96 1xwn n ASP 151 Cb 0.00 0.14 -0.11 0.00 -1.14 0.00 0.00 41.12 40.01 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 1xwn s ARG 152 N 0.00 3.80 -0.18 0.11 0.52 -1.26 -3.67 118.95 118.26 1xwn s ARG 152 Ca 0.00 -0.42 -0.29 0.00 -0.52 0.00 0.00 55.73 54.50 1xwn s ARG 152 Cb 0.00 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 1xwn s ARG 152 CO -0.00 -0.26 1.72 -1.25 0.02 0.00 0.00 175.30 175.53 1xwn s PRO 153 N 1.74 3.78 0.40 3.54 0.04 -1.26 -0.29 135.00 142.95 1xwn s PRO 153 Ca 0.07 1.83 0.11 0.00 0.04 0.00 0.00 61.00 63.05 1xwn s PRO 153 Cb -0.16 -4.08 0.84 0.00 0.04 0.00 0.00 34.50 31.13 1xwn s PRO 153 CO 0.11 -1.32 1.93 0.28 0.04 0.00 0.00 177.00 178.04 1xwn h VAL 154 N 6.16 1.17 -2.22 -0.36 2.07 -1.89 -3.44 116.25 117.74 1xwn h VAL 154 Ca -0.36 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 1xwn h VAL 154 Cb 1.17 1.25 0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1xwn h VAL 154 CO 0.99 0.23 0.04 -0.67 0.02 0.00 0.00 177.57 178.18 1xwn n ASP 155 N -4.28 0.01 -4.06 0.57 -0.08 -1.26 -5.05 116.55 102.40 1xwn n ASP 155 Ca -0.01 -1.05 -0.34 0.00 -1.51 0.00 0.00 54.79 51.88 1xwn n ASP 155 Cb 0.26 -0.11 -0.13 0.00 2.34 0.00 0.00 41.12 43.49 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 -1.52 4.97 -0.26 1.67 1.11 -1.26 -5.06 116.67 116.32 1xwn s ASP 156 Ca 0.08 -2.32 0.02 0.00 0.18 0.00 0.00 52.55 50.51 1xwn s ASP 156 Cb -0.00 -1.74 0.07 0.00 1.07 0.00 0.00 42.92 42.31 1xwn s ASP 156 CO 0.06 -0.42 -0.05 0.54 1.18 0.00 0.00 175.17 176.47 1xwn s VAL 157 N 0.70 1.79 0.31 -1.27 0.11 -1.26 -4.44 120.40 116.34 1xwn s VAL 157 Ca 0.12 -1.49 -0.06 0.00 -2.93 0.00 0.00 61.98 57.62 1xwn s VAL 157 Cb -0.22 -2.04 0.00 0.00 -1.53 0.00 0.00 36.38 32.59 1xwn s VAL 157 CO -0.05 -0.16 0.47 -1.59 -3.33 0.00 0.00 175.10 170.44 1xwn s LYS 158 N 1.26 1.77 -0.18 1.54 0.00 -1.26 -3.03 119.74 119.84 1xwn s LYS 158 Ca -0.04 -1.57 -0.07 0.00 0.00 0.00 0.00 55.97 54.28 1xwn s LYS 158 Cb -0.19 0.45 -0.04 0.00 0.00 0.00 0.00 37.83 38.05 1xwn s LYS 158 CO -0.07 -0.73 0.06 0.42 0.00 0.00 0.00 175.35 175.03 1xwn s ILE 159 N -3.39 4.82 -0.13 3.79 1.01 0.40 0.28 121.20 127.98 1xwn s ILE 159 Ca 0.28 -0.03 0.12 0.00 0.00 0.00 0.00 60.65 61.02 1xwn s ILE 159 Cb -0.00 -3.16 -0.17 0.00 0.01 0.00 0.00 42.46 39.13 1xwn s ILE 159 CO 0.16 0.47 0.06 2.30 0.00 0.00 0.00 174.94 177.93 1xwn n ILE 160 N 3.45 0.87 -3.17 2.92 -5.35 -1.20 -2.55 119.36 114.33 1xwn n ILE 160 Ca -0.17 -0.56 0.03 0.00 -0.27 0.00 0.00 62.75 61.78 1xwn n ILE 160 Cb 0.52 -0.60 -0.01 0.00 -1.74 0.00 0.00 39.64 37.81 1xwn n ILE 160 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1xwn s LYS 161 N -2.36 0.55 -0.22 6.28 -2.85 -0.73 -4.65 119.74 115.76 1xwn s LYS 161 Ca -0.07 0.90 0.02 0.00 -1.00 0.00 0.00 55.97 55.82 1xwn s LYS 161 Cb 0.04 0.42 0.04 0.00 -2.06 0.00 0.00 37.83 36.28 1xwn s LYS 161 CO 0.55 -0.69 -0.15 0.00 0.10 0.00 0.00 175.35 175.17 1xwn s ALA 162 N 2.83 2.43 -0.04 0.59 0.00 -1.26 -0.72 121.76 125.58 1xwn s ALA 162 Ca 0.19 -1.50 -0.22 0.00 0.00 0.00 0.00 51.96 50.43 1xwn s ALA 162 Cb -0.14 -1.40 0.04 0.00 0.00 0.00 0.00 23.12 21.62 1xwn s ALA 162 CO -0.21 -0.83 0.47 1.52 0.00 0.00 0.00 175.76 176.71 1xwn s TYR 163 N 1.20 -0.40 0.64 0.00 -0.85 -0.11 -4.70 117.35 113.14 1xwn s TYR 163 Ca -0.03 0.70 -0.11 0.00 -0.52 0.00 0.00 57.07 57.11 1xwn s TYR 163 Cb -0.17 0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.38 1xwn s TYR 163 CO -0.08 -0.47 1.05 -1.25 -1.52 0.00 0.00 175.55 173.28 1xwn s PRO 164 N -1.15 3.39 0.28 -3.49 0.04 -1.26 -1.24 135.00 131.56 1xwn s PRO 164 Ca -0.11 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.59 1xwn s PRO 164 Cb -0.03 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1xwn s PRO 164 CO 0.06 -0.70 0.00 0.45 0.04 0.00 0.00 177.00 176.85 1xwn n SER 165 N -2.82 -2.51 0.00 6.66 2.88 -1.26 -4.80 113.62 111.77 1xwn n SER 165 Ca 0.06 0.64 0.00 0.00 -1.33 0.00 0.00 58.87 58.24 1xwn n SER 165 Cb 0.55 2.51 0.00 0.00 -0.75 0.00 0.00 64.21 66.52 1xwn n SER 165 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42