#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 -1.73 -0.67 3.04 0.00 -1.26 -5.09 121.76 116.05 1xwn s ALA 2 Ca 0.00 0.97 0.04 0.00 0.00 0.00 0.00 51.96 52.97 1xwn s ALA 2 Cb 0.00 0.35 0.32 0.00 0.00 0.00 0.00 23.12 23.78 1xwn s ALA 2 CO 0.00 -0.57 1.04 0.00 0.00 0.00 0.00 175.76 176.22 1xwn n ALA 3 N 0.19 4.74 -2.80 0.00 0.00 -1.26 -4.89 120.51 116.50 1xwn n ALA 3 Ca -0.16 -4.72 0.01 0.00 0.00 0.00 0.00 53.44 48.57 1xwn n ALA 3 Cb 0.61 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 19.05 1xwn n ALA 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1xwn s ILE 4 N -3.93 -0.32 0.15 0.00 2.07 -1.26 -5.06 121.20 112.85 1xwn s ILE 4 Ca 0.45 -0.07 -0.18 0.00 -1.41 0.00 0.00 60.65 59.44 1xwn s ILE 4 Cb 0.23 0.00 0.02 0.00 0.13 0.00 0.00 42.46 42.84 1xwn s ILE 4 CO -0.10 0.00 1.71 -0.65 -1.91 0.00 0.00 174.94 174.00 1xwn h PRO 5 N 5.35 0.10 -6.51 3.50 0.11 -2.06 -3.41 132.00 129.07 1xwn h PRO 5 Ca -0.02 -0.01 -0.52 0.00 0.11 0.00 0.00 66.00 65.56 1xwn h PRO 5 Cb 1.21 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1xwn h PRO 5 CO -0.06 0.07 0.36 -1.25 -0.21 0.00 0.00 178.00 176.91 1xwn s PRO 6 N -6.18 4.65 0.41 1.05 0.04 -1.26 -5.06 135.00 128.64 1xwn s PRO 6 Ca -0.13 1.44 0.07 0.00 0.04 0.00 0.00 61.00 62.42 1xwn s PRO 6 Cb 0.12 -3.40 -0.08 0.00 0.04 0.00 0.00 34.50 31.18 1xwn s PRO 6 CO 0.70 0.12 0.01 0.16 0.04 0.00 0.00 177.00 178.03 1xwn s ASP 7 N 0.34 3.89 0.36 6.66 1.47 -1.26 -5.15 116.67 122.98 1xwn s ASP 7 Ca 0.49 -1.35 -0.04 0.00 1.18 0.00 0.00 52.55 52.82 1xwn s ASP 7 Cb -0.23 -0.40 -0.05 0.00 -0.34 0.00 0.00 42.92 41.91 1xwn s ASP 7 CO 0.29 -0.44 0.63 -0.55 0.68 0.00 0.00 175.17 175.78 1xwn s SER 8 N -3.71 6.38 0.03 2.11 0.15 -1.26 -5.02 113.70 112.37 1xwn s SER 8 Ca 0.35 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.76 1xwn s SER 8 Cb 0.10 -2.17 0.00 0.00 -1.71 0.00 0.00 66.02 62.24 1xwn s SER 8 CO 0.18 -0.33 0.00 0.79 1.20 0.00 0.00 173.24 175.08 1xwn n TRP 9 N -1.47 -0.17 -4.75 3.44 7.02 -1.26 -5.09 117.44 115.16 1xwn n TRP 9 Ca -0.01 0.03 -0.31 0.00 -1.02 0.00 0.00 57.50 56.18 1xwn n TRP 9 Cb 0.55 0.25 -0.13 0.00 -2.42 0.00 0.00 31.31 29.56 1xwn n TRP 9 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1xwn s GLN 10 N -2.00 2.20 -0.30 -0.99 1.11 -1.26 -5.07 119.66 113.36 1xwn s GLN 10 Ca 0.00 -0.90 -0.31 0.00 0.01 0.00 0.00 55.36 54.16 1xwn s GLN 10 Cb 0.00 -2.24 -0.08 0.00 -1.01 0.00 0.00 33.01 29.68 1xwn s GLN 10 CO 0.00 0.56 2.22 -2.30 0.01 0.00 0.00 175.29 175.79 1xwn n PRO 11 N 1.79 1.50 0.20 2.91 -0.02 -1.26 -4.84 135.00 135.27 1xwn n PRO 11 Ca -0.16 0.40 0.14 0.00 -2.02 0.00 0.00 63.50 61.86 1xwn n PRO 11 Cb 0.52 -2.88 0.55 0.00 -0.02 0.00 0.00 33.50 31.67 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 14.02 0.00 -6.65 0.52 0.13 -1.93 -3.44 132.00 134.65 1xwn h PRO 12 Ca -0.34 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.30 1xwn h PRO 12 Cb 1.28 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 1xwn h PRO 12 CO 1.00 0.00 -0.08 -0.80 -0.23 0.00 0.00 178.00 177.89 1xwn s ASN 13 N -4.99 6.33 -0.02 1.44 0.02 -1.26 -2.42 114.94 114.03 1xwn s ASN 13 Ca 0.04 0.68 -0.01 0.00 -1.02 0.00 0.00 52.86 52.54 1xwn s ASN 13 Cb 0.09 -2.13 0.02 0.00 0.02 0.00 0.00 41.25 39.24 1xwn s ASN 13 CO 0.49 -0.36 0.06 0.68 0.02 0.00 0.00 177.10 177.98 1xwn s VAL 14 N -2.40 -0.02 -0.38 1.60 -7.23 -0.67 -2.06 120.40 109.24 1xwn s VAL 14 Ca 0.43 0.08 -0.19 0.00 -1.81 0.00 0.00 61.98 60.50 1xwn s VAL 14 Cb -0.10 -0.10 0.01 0.00 0.56 0.00 0.00 36.38 36.75 1xwn s VAL 14 CO 0.37 0.03 0.58 -0.31 -0.31 0.00 0.00 175.10 175.47 1xwn s TYR 15 N 0.47 3.14 -0.67 2.82 2.02 0.51 -2.66 117.35 122.98 1xwn s TYR 15 Ca -0.04 0.12 -0.16 0.00 -0.37 0.00 0.00 57.07 56.62 1xwn s TYR 15 Cb -0.05 -3.10 0.15 0.00 -0.40 0.00 0.00 41.96 38.55 1xwn s TYR 15 CO -0.02 -0.67 0.68 -0.51 -1.57 0.00 0.00 175.55 173.47 1xwn s LEU 16 N 2.59 6.08 -0.38 -1.29 1.43 -0.60 -2.26 118.68 124.25 1xwn s LEU 16 Ca 0.21 -2.00 -0.26 0.00 -1.03 0.00 0.00 54.13 51.04 1xwn s LEU 16 Cb -0.15 -2.25 0.02 0.00 0.03 0.00 0.00 46.19 43.84 1xwn s LEU 16 CO 0.15 -0.85 0.96 -1.61 0.23 0.00 0.00 176.35 175.23 1xwn s GLU 17 N 1.51 3.82 0.17 1.70 0.41 -0.93 -2.16 118.70 123.22 1xwn s GLU 17 Ca 0.12 0.58 0.08 0.00 -0.41 0.00 0.00 54.97 55.34 1xwn s GLU 17 Cb -0.20 -3.82 -0.04 0.00 -1.78 0.00 0.00 34.13 28.28 1xwn s GLU 17 CO -0.01 -1.01 -0.17 0.95 -0.49 0.00 0.00 175.26 174.53 1xwn s THR 18 N 3.62 1.75 0.43 3.63 -4.23 0.22 -1.69 115.64 119.36 1xwn s THR 18 Ca 0.40 -1.96 0.10 0.00 -1.18 0.00 0.00 61.69 59.05 1xwn s THR 18 Cb -0.11 -1.85 0.28 0.00 1.34 0.00 0.00 72.50 72.16 1xwn s THR 18 CO 0.20 -0.38 2.05 -1.28 -0.54 0.00 0.00 174.62 174.67 1xwn h SER 19 N 3.13 0.40 0.42 3.99 0.87 -0.34 -0.85 113.55 121.17 1xwn h SER 19 Ca -0.41 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.03 1xwn h SER 19 Cb 1.21 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1xwn h SER 19 CO 0.53 0.28 -0.49 -0.03 -0.53 0.00 0.00 176.83 176.59 1xwn h MET 20 N 0.46 0.08 0.00 2.24 1.85 -1.89 -3.47 114.93 114.21 1xwn h MET 20 Ca 0.17 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1xwn h MET 20 Cb 0.10 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.13 1xwn h MET 20 CO -0.04 0.56 0.00 0.41 -0.40 0.00 0.00 176.91 177.44 1xwn n GLY 21 N -0.08 -0.63 3.15 1.39 0.00 -0.33 -5.03 105.19 103.66 1xwn n GLY 21 Ca -0.02 -1.06 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 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 1.82 -0.07 -0.61 2.07 -1.26 -0.61 121.20 119.53 1xwn s ILE 22 Ca 0.00 -0.86 0.01 0.00 -1.41 0.00 0.00 60.65 58.39 1xwn s ILE 22 Cb 0.00 -1.60 0.02 0.00 0.13 0.00 0.00 42.46 41.01 1xwn s ILE 22 CO 0.00 0.50 -0.10 0.27 -1.91 0.00 0.00 174.94 173.70 1xwn s ILE 23 N 0.61 1.05 -0.26 2.00 -4.36 -0.92 -4.62 121.20 114.69 1xwn s ILE 23 Ca -0.14 -0.40 -0.10 0.00 -0.26 0.00 0.00 60.65 59.76 1xwn s ILE 23 Cb -0.17 -0.99 -0.04 0.00 1.25 0.00 0.00 42.46 42.51 1xwn s ILE 23 CO 0.04 0.34 0.15 -0.69 0.24 0.00 0.00 174.94 175.03 1xwn s VAL 24 N 0.94 5.08 0.17 8.37 1.01 0.16 -1.55 120.40 134.57 1xwn s VAL 24 Ca -0.10 0.09 0.07 0.00 0.00 0.00 0.00 61.98 62.04 1xwn s VAL 24 Cb -0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 1xwn s VAL 24 CO 0.01 0.29 -0.14 -0.76 0.00 0.00 0.00 175.10 174.49 1xwn s LEU 25 N 1.58 2.50 0.08 3.92 1.02 -1.09 -0.46 118.68 126.23 1xwn s LEU 25 Ca 0.07 -0.94 0.02 0.00 0.02 0.00 0.00 54.13 53.29 1xwn s LEU 25 Cb -0.15 -0.61 -0.04 0.00 0.02 0.00 0.00 46.19 45.41 1xwn s LEU 25 CO 0.08 -0.17 0.15 -1.61 0.02 0.00 0.00 176.35 174.82 1xwn s GLU 26 N -3.29 3.16 -0.06 1.70 2.02 0.15 -1.66 118.70 120.71 1xwn s GLU 26 Ca 0.17 -0.59 0.05 0.00 0.02 0.00 0.00 54.97 54.63 1xwn s GLU 26 Cb -0.02 -2.87 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 1xwn s GLU 26 CO 0.05 0.58 -0.23 -0.51 0.02 0.00 0.00 175.26 175.17 1xwn s LEU 27 N -2.54 2.21 -0.84 1.80 1.02 -1.02 -1.83 118.68 117.49 1xwn s LEU 27 Ca 0.32 -0.45 -0.25 0.00 0.02 0.00 0.00 54.13 53.77 1xwn s LEU 27 Cb -0.12 -1.41 0.02 0.00 0.02 0.00 0.00 46.19 44.69 1xwn s LEU 27 CO 0.25 0.26 1.54 -0.31 0.02 0.00 0.00 176.35 178.11 1xwn s TYR 28 N -0.22 2.19 -1.86 0.29 2.02 -1.17 -4.84 117.35 113.75 1xwn s TYR 28 Ca -0.01 -0.07 0.00 0.00 -0.37 0.00 0.00 57.07 56.62 1xwn s TYR 28 Cb -0.13 -4.47 0.00 0.00 -0.40 0.00 0.00 41.96 36.96 1xwn s TYR 28 CO 0.03 -2.02 0.88 -2.67 -1.57 0.00 0.00 175.55 170.20 1xwn n TRP 29 N 10.51 0.00 -0.07 2.71 4.27 -1.26 -1.55 117.44 132.04 1xwn n TRP 29 Ca 0.22 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.76 1xwn n TRP 29 Cb 0.50 -0.01 -0.02 0.00 -1.36 0.00 0.00 31.31 30.41 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 -0.43 0.42 -0.00 -2.67 5.02 -1.26 -4.45 118.16 114.79 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 0.03 -1.24 -0.14 0.00 -0.02 0.00 0.00 35.03 33.66 1xwn n LYS 30 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1xwn n HIS 31 N -4.08 0.00 0.85 2.13 8.25 -1.26 -4.42 115.22 116.70 1xwn n HIS 31 Ca -0.11 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.47 1xwn n HIS 31 Cb 0.42 -0.24 0.15 0.00 1.12 0.00 0.00 29.99 31.43 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 -1.86 2.46 -0.37 -1.41 0.00 -0.60 -4.62 120.51 114.10 1xwn n ALA 32 Ca -0.00 -0.75 0.34 0.00 0.00 0.00 0.00 53.44 53.03 1xwn n ALA 32 Cb 0.44 -0.85 0.60 0.00 0.00 0.00 0.00 19.45 19.64 1xwn n ALA 32 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xwn n PRO 33 N 1.33 -0.05 0.41 0.00 -0.02 -1.21 0.53 135.00 135.98 1xwn n PRO 33 Ca 0.16 1.26 -0.18 0.00 -2.02 0.00 0.00 63.50 62.71 1xwn n PRO 33 Cb 0.59 -2.36 -0.09 0.00 -0.02 0.00 0.00 33.50 31.62 1xwn n PRO 33 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1xwn h LYS 34 N 0.00 -0.98 -0.29 -0.52 1.63 -1.92 -1.41 116.57 113.08 1xwn h LYS 34 Ca 0.82 0.07 -0.10 0.00 -0.85 0.00 0.00 60.65 60.59 1xwn h LYS 34 Cb 2.41 0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 34.25 1xwn h LYS 34 CO -0.60 -0.64 -0.23 1.15 -3.45 0.00 0.00 179.45 175.69 1xwn h THR 35 N -1.09 1.26 -0.12 1.00 2.02 -1.02 -2.81 112.91 112.17 1xwn h THR 35 Ca -0.10 -1.25 0.04 0.00 0.77 0.00 0.00 66.41 65.86 1xwn h THR 35 Cb 0.79 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 68.46 1xwn h THR 35 CO 0.17 0.40 -0.13 0.00 0.37 0.00 0.00 175.52 176.33 1xwn h LYS 37 N -0.17 1.21 -0.01 0.00 1.57 -1.18 -1.22 116.57 116.78 1xwn h LYS 37 Ca 0.09 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1xwn h LYS 37 Cb 0.29 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1xwn h LYS 37 CO -0.22 0.86 -0.06 -0.97 -0.57 0.00 0.00 179.45 178.49 1xwn h ASN 38 N 1.23 -0.16 -0.20 0.86 -1.24 -1.07 0.53 115.58 115.53 1xwn h ASN 38 Ca 0.32 0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.36 1xwn h ASN 38 Cb -0.04 0.07 -0.01 0.00 0.73 0.00 0.00 38.32 39.08 1xwn h ASN 38 CO -0.06 -0.08 0.12 0.15 -1.29 0.00 0.00 177.43 176.27 1xwn h PHE 39 N -0.10 0.26 -0.25 0.67 3.04 -0.79 0.17 116.94 119.94 1xwn h PHE 39 Ca 0.03 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.97 1xwn h PHE 39 Cb 0.13 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.54 1xwn h PHE 39 CO -0.13 0.20 0.14 0.00 -2.02 0.00 0.00 178.31 176.50 1xwn h ALA 40 N 1.04 0.31 -0.63 2.41 0.00 -1.01 -2.53 119.26 118.85 1xwn h ALA 40 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1xwn h ALA 40 Cb 0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1xwn h ALA 40 CO -0.01 -0.17 0.12 1.49 0.00 0.00 0.00 179.25 180.68 1xwn h GLU 41 N 0.29 1.01 0.82 0.00 4.57 0.23 -0.89 114.58 120.61 1xwn h GLU 41 Ca 0.09 -0.25 -0.04 0.00 -1.18 0.00 0.00 59.36 57.98 1xwn h GLU 41 Cb 0.05 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1xwn h GLU 41 CO -0.01 0.92 -0.48 -0.07 -1.18 0.00 0.00 179.01 178.19 1xwn h LEU 42 N 0.95 -1.19 -0.68 1.64 4.07 -0.44 0.52 115.31 120.18 1xwn h LEU 42 Ca 0.20 0.06 -0.04 0.00 0.08 0.00 0.00 57.88 58.17 1xwn h LEU 42 Cb 0.39 0.34 -0.03 0.00 1.08 0.00 0.00 40.66 42.44 1xwn h LEU 42 CO 0.01 -0.75 0.25 0.00 -1.08 0.00 0.00 178.44 176.87 1xwn h ALA 43 N -1.25 0.89 -0.09 1.53 0.00 -1.49 0.22 119.26 119.06 1xwn h ALA 43 Ca -0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1xwn h ALA 43 Cb 0.96 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1xwn h ALA 43 CO 0.13 0.53 0.01 -0.09 0.00 0.00 0.00 179.25 179.83 1xwn h ARG 44 N 0.97 0.16 0.51 0.00 1.12 -1.11 -3.29 114.38 112.75 1xwn h ARG 44 Ca 0.22 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 59.02 1xwn h ARG 44 Cb 0.24 -0.02 0.01 0.00 -0.01 0.00 0.00 29.97 30.19 1xwn h ARG 44 CO -0.01 0.38 -0.25 -0.09 -3.11 0.00 0.00 179.97 176.89 1xwn h ARG 45 N -0.09 -0.67 0.00 0.20 2.43 0.11 -3.47 114.38 112.89 1xwn h ARG 45 Ca 0.03 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1xwn h ARG 45 Cb 0.30 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1xwn h ARG 45 CO 0.00 -0.40 0.00 0.41 -1.51 0.00 0.00 179.97 178.47 1xwn n GLY 46 N -1.14 0.00 0.50 2.80 0.00 -0.42 -5.08 105.19 101.86 1xwn n GLY 46 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.86 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 0.19 1.61 4.01 0.64 -4.68 117.16 118.93 1xwn n TYR 47 Ca 0.00 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.81 1xwn n TYR 47 Cb 0.00 -0.18 0.31 0.00 -0.31 0.00 0.00 39.34 39.16 1xwn n TYR 47 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1xwn h TYR 48 N -0.10 0.00 -2.44 -0.72 3.20 -1.80 -3.42 116.97 111.68 1xwn h TYR 48 Ca -0.12 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 61.22 1xwn h TYR 48 Cb 1.13 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.35 1xwn h TYR 48 CO -0.01 0.32 1.18 -0.80 -1.64 0.00 0.00 178.16 177.21 1xwn s ASN 49 N -6.32 5.86 0.00 -2.11 0.02 -1.26 -3.01 114.94 108.12 1xwn s ASN 49 Ca 0.02 0.16 0.00 0.00 -1.02 0.00 0.00 52.86 52.02 1xwn s ASN 49 Cb 0.10 -2.54 0.00 0.00 0.02 0.00 0.00 41.25 38.82 1xwn s ASN 49 CO 0.68 -1.95 0.00 0.61 0.02 0.00 0.00 177.10 176.46 1xwn n GLY 50 N 5.43 1.86 3.98 0.66 0.00 -1.04 -4.98 105.19 111.10 1xwn n GLY 50 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 2.09 -0.24 2.61 -4.23 -1.03 -4.90 115.64 107.94 1xwn s THR 51 Ca 0.00 -0.47 -0.17 0.00 -1.18 0.00 0.00 61.69 59.87 1xwn s THR 51 Cb 0.00 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 71.29 1xwn s THR 51 CO 0.00 0.00 0.60 -0.75 -0.54 0.00 0.00 174.62 173.93 1xwn s LYS 52 N -5.31 0.65 -0.00 3.99 2.20 -1.26 -0.63 119.74 119.37 1xwn s LYS 52 Ca 0.68 0.97 -0.30 0.00 -0.36 0.00 0.00 55.97 56.96 1xwn s LYS 52 Cb -0.05 0.21 -0.06 0.00 -1.51 0.00 0.00 37.83 36.42 1xwn s LYS 52 CO 0.46 -0.12 1.48 -0.06 -0.36 0.00 0.00 175.35 176.75 1xwn s PHE 53 N 0.96 2.64 -0.21 4.03 0.40 -1.20 -4.61 117.98 120.00 1xwn s PHE 53 Ca -0.05 0.64 0.14 0.00 -0.60 0.00 0.00 56.93 57.06 1xwn s PHE 53 Cb -0.05 -3.75 -0.22 0.00 0.51 0.00 0.00 43.02 39.51 1xwn s PHE 53 CO -0.09 -2.87 0.00 -2.39 0.70 0.00 0.00 175.22 170.57 1xwn n HIS 54 N 5.74 0.00 -4.10 0.36 1.44 -1.26 -4.80 115.22 112.60 1xwn n HIS 54 Ca 0.14 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.52 1xwn n HIS 54 Cb 0.43 -0.96 -0.16 0.00 0.12 0.00 0.00 29.99 29.42 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 -2.48 3.01 -0.35 -1.40 1.81 -1.25 -4.64 118.95 113.65 1xwn s ARG 55 Ca -0.15 -0.82 -0.00 0.00 -1.72 0.00 0.00 55.73 53.03 1xwn s ARG 55 Cb 0.06 -2.61 0.12 0.00 -0.45 0.00 0.00 34.95 32.07 1xwn s ARG 55 CO 0.75 -0.22 0.17 0.42 -0.68 0.00 0.00 175.30 175.75 1xwn s ILE 56 N 1.30 0.63 -0.50 1.52 1.01 -0.09 -1.81 121.20 123.27 1xwn s ILE 56 Ca 0.05 -1.67 -0.26 0.00 0.00 0.00 0.00 60.65 58.77 1xwn s ILE 56 Cb -0.13 -1.46 0.03 0.00 0.01 0.00 0.00 42.46 40.90 1xwn s ILE 56 CO -0.12 -0.83 1.02 -0.63 0.00 0.00 0.00 174.94 174.37 1xwn s ILE 57 N 1.23 4.33 0.49 2.92 1.01 -0.31 -4.19 121.20 126.67 1xwn s ILE 57 Ca 0.14 0.81 -0.23 0.00 0.00 0.00 0.00 60.65 61.37 1xwn s ILE 57 Cb -0.21 -4.54 -0.07 0.00 0.01 0.00 0.00 42.46 37.66 1xwn s ILE 57 CO -0.13 -1.00 1.30 -0.75 0.00 0.00 0.00 174.94 174.37 1xwn s LYS 58 N 4.13 3.51 -1.71 2.79 2.20 -1.26 -1.85 119.74 127.54 1xwn s LYS 58 Ca 0.39 2.12 -0.01 0.00 -0.36 0.00 0.00 55.97 58.11 1xwn s LYS 58 Cb -0.09 -2.43 0.00 0.00 -1.51 0.00 0.00 37.83 33.80 1xwn s LYS 58 CO 0.26 -0.86 0.09 -0.25 -0.36 0.00 0.00 175.35 174.24 1xwn n ASP 59 N -0.59 -5.84 0.00 1.43 9.92 -1.26 -4.74 116.55 115.47 1xwn n ASP 59 Ca 0.08 -0.05 0.00 0.00 -0.53 0.00 0.00 54.79 54.29 1xwn n ASP 59 Cb 0.45 -4.84 0.00 0.00 -0.64 0.00 0.00 41.12 36.09 1xwn n ASP 59 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1xwn n PHE 60 N -4.05 0.00 -3.78 1.24 3.72 -1.09 -4.90 117.46 108.60 1xwn n PHE 60 Ca -0.22 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.10 1xwn n PHE 60 Cb 0.67 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.19 1xwn n PHE 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xwn s MET 61 N 0.00 1.66 -0.07 -1.08 0.23 -0.77 -2.64 119.30 116.63 1xwn s MET 61 Ca 0.00 -0.88 0.01 0.00 -1.03 0.00 0.00 55.69 53.79 1xwn s MET 61 Cb 0.00 0.59 0.02 0.00 -1.53 0.00 0.00 34.83 33.91 1xwn s MET 61 CO 0.00 -0.76 -0.07 0.42 -2.03 0.00 0.00 175.02 172.59 1xwn s ILE 62 N -3.85 0.79 -0.07 3.16 1.09 -0.93 -1.16 121.20 120.23 1xwn s ILE 62 Ca 0.09 -0.22 0.02 0.00 -1.10 0.00 0.00 60.65 59.45 1xwn s ILE 62 Cb -0.05 -0.80 -0.03 0.00 -1.06 0.00 0.00 42.46 40.53 1xwn s ILE 62 CO 0.03 0.30 -0.12 0.00 -0.10 0.00 0.00 174.94 175.06 1xwn s GLN 63 N 1.20 2.69 -0.28 2.79 -2.07 -0.75 -0.05 119.66 123.19 1xwn s GLN 63 Ca -0.06 -0.64 0.00 0.00 -1.82 0.00 0.00 55.36 52.84 1xwn s GLN 63 Cb -0.14 -2.48 0.08 0.00 -1.09 0.00 0.00 33.01 29.38 1xwn s GLN 63 CO -0.02 0.59 0.04 0.20 -1.32 0.00 0.00 175.29 174.78 1xwn s GLY 64 N -0.63 1.24 0.43 2.60 0.00 0.30 -3.85 107.32 107.41 1xwn s GLY 64 Ca 0.09 -1.62 0.04 0.00 0.00 0.00 0.00 44.72 43.22 1xwn s GLY 64 CO 0.01 1.29 0.13 0.61 0.00 0.00 0.00 173.10 175.14 1xwn n GLY 65 N 4.72 3.26 2.73 0.20 0.00 -1.26 -3.24 105.19 111.59 1xwn n GLY 65 Ca -0.04 -2.15 -0.32 0.00 0.00 0.00 0.00 46.02 43.51 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 -1.48 4.19 0.00 1.61 2.03 0.95 -4.66 116.55 119.19 1xwn n ASP 66 Ca -0.08 -3.35 0.14 0.00 0.52 0.00 0.00 54.79 52.02 1xwn n ASP 66 Cb 0.63 -0.86 0.78 0.00 -0.72 0.00 0.00 41.12 40.95 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 1.37 0.74 -2.78 -0.67 -0.04 -1.26 -4.77 135.00 127.59 1xwn n PRO 67 Ca 0.26 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.51 1xwn n PRO 67 Cb 0.38 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.36 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 -1.07 -1.64 -1.98 0.52 -1.04 -1.26 -1.84 114.28 105.97 1xwn n THR 68 Ca 0.19 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.99 1xwn n THR 68 Cb 0.12 -3.32 -0.05 0.00 -1.82 0.00 0.00 70.33 65.27 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 -1.34 0.77 0.72 3.41 0.00 -1.26 -4.78 105.19 102.70 1xwn n GLY 69 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1xwn n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xwn n THR 70 N -3.13 0.00 -2.11 2.61 -2.24 -0.77 -5.07 114.28 103.57 1xwn n THR 70 Ca -0.22 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1xwn n THR 70 Cb 0.68 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 68.09 1xwn n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xwn n GLY 71 N 2.71 0.89 0.14 3.38 0.00 -1.01 -4.81 105.19 106.50 1xwn n GLY 71 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.54 0.00 -2.96 1.61 1.85 -1.26 -5.08 116.66 110.27 1xwn n ARG 72 Ca 0.00 0.00 -0.44 0.00 -1.00 0.00 0.00 57.85 56.41 1xwn n ARG 72 Cb 0.44 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.81 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 -1.64 1.66 0.10 2.89 0.00 -1.26 -5.00 107.32 104.06 1xwn s GLY 73 Ca 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 44.72 42.47 1xwn s GLY 73 CO 0.00 1.89 0.06 -0.32 0.00 0.00 0.00 173.10 174.73 1xwn s GLY 74 N 3.61 0.61 0.05 0.20 0.00 -1.26 -4.61 107.32 105.93 1xwn s GLY 74 Ca 0.21 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1xwn s GLY 74 CO 0.04 -1.22 -0.05 0.00 0.00 0.00 0.00 173.10 171.87 1xwn s ALA 75 N -3.96 0.52 0.35 3.20 0.00 -1.26 -4.82 121.76 115.78 1xwn s ALA 75 Ca 0.14 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.14 1xwn s ALA 75 Cb 0.07 0.17 -0.05 0.00 0.00 0.00 0.00 23.12 23.32 1xwn s ALA 75 CO -0.05 -0.22 0.09 -1.54 0.00 0.00 0.00 175.76 174.04 1xwn s SER 76 N -2.32 2.39 0.35 0.00 1.04 0.15 -4.84 113.70 110.47 1xwn s SER 76 Ca -0.01 -1.48 0.03 0.00 0.48 0.00 0.00 55.95 54.97 1xwn s SER 76 Cb -0.01 0.16 0.64 0.00 0.10 0.00 0.00 66.02 66.91 1xwn s SER 76 CO -0.05 -0.74 1.96 0.16 0.98 0.00 0.00 173.24 175.55 1xwn h ILE 77 N 2.03 1.17 -0.04 -1.02 -0.00 -1.98 -2.47 117.51 115.20 1xwn h ILE 77 Ca -0.39 -0.48 -0.18 0.00 -0.00 0.00 0.00 64.86 63.81 1xwn h ILE 77 Cb 1.26 0.54 -0.01 0.00 -0.00 0.00 0.00 36.82 38.61 1xwn h ILE 77 CO 0.64 0.20 -0.77 1.88 -0.00 0.00 0.00 178.15 180.10 1xwn h TYR 78 N 0.69 0.39 0.00 0.16 0.05 -1.97 -3.50 116.97 112.79 1xwn h TYR 78 Ca 0.17 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1xwn h TYR 78 Cb 0.08 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.77 1xwn h TYR 78 CO 0.01 0.94 0.00 0.41 -1.05 0.00 0.00 178.16 178.47 1xwn n GLY 79 N 0.63 -0.57 0.08 3.88 0.00 -0.93 -5.01 105.19 103.26 1xwn n GLY 79 Ca -0.04 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 0.00 -2.61 1.61 3.64 -1.88 0.42 116.57 117.76 1xwn h LYS 80 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1xwn h LYS 80 Cb 0.00 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 31.63 1xwn h LYS 80 CO 0.00 0.79 -0.05 1.14 -2.27 0.00 0.00 179.45 179.06 1xwn s GLN 81 N -2.17 0.87 0.27 1.90 -2.07 -1.26 -4.45 119.66 112.74 1xwn s GLN 81 Ca -0.19 -0.03 0.02 0.00 -1.82 0.00 0.00 55.36 53.33 1xwn s GLN 81 Cb 0.00 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.29 1xwn s GLN 81 CO 0.53 -0.27 0.24 -0.59 -1.32 0.00 0.00 175.29 173.89 1xwn s PHE 82 N -1.45 1.36 1.06 9.60 -0.71 -1.26 -4.95 117.98 121.63 1xwn s PHE 82 Ca -0.11 -1.46 -0.15 0.00 -1.04 0.00 0.00 56.93 54.17 1xwn s PHE 82 Cb -0.02 -0.54 0.22 0.00 -1.21 0.00 0.00 43.02 41.46 1xwn s PHE 82 CO 0.06 -0.80 1.13 -1.21 -1.34 0.00 0.00 175.22 173.06 1xwn s GLU 83 N -3.77 -0.07 0.63 1.99 2.02 -1.26 -2.98 118.70 115.26 1xwn s GLU 83 Ca 0.38 0.14 -0.03 0.00 0.02 0.00 0.00 54.97 55.48 1xwn s GLU 83 Cb 0.04 -1.71 0.04 0.00 0.10 0.00 0.00 34.13 32.60 1xwn s GLU 83 CO 0.19 -2.99 0.90 -0.51 0.02 0.00 0.00 175.26 172.87 1xwn s ASP 84 N -3.88 5.08 -0.35 -0.19 1.11 -1.26 -4.74 116.67 112.43 1xwn s ASP 84 Ca 0.68 0.28 0.12 0.00 0.18 0.00 0.00 52.55 53.82 1xwn s ASP 84 Cb -0.13 -1.07 0.45 0.00 1.07 0.00 0.00 42.92 43.25 1xwn s ASP 84 CO 0.56 -1.36 1.07 -0.62 1.18 0.00 0.00 175.17 176.00 1xwn n GLU 85 N -2.65 2.43 -2.20 8.23 1.02 -1.26 -5.10 120.64 121.11 1xwn n GLU 85 Ca 0.08 -3.88 -0.38 0.00 -0.02 0.00 0.00 57.16 52.96 1xwn n GLU 85 Cb 0.60 -1.82 -0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1xwn n GLU 85 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1xwn s LEU 86 N -3.44 4.06 -0.43 -4.62 2.96 -1.26 -4.89 118.68 111.06 1xwn s LEU 86 Ca 0.38 2.39 0.05 0.00 -0.22 0.00 0.00 54.13 56.73 1xwn s LEU 86 Cb 0.41 -4.16 0.19 0.00 0.50 0.00 0.00 46.19 43.12 1xwn s LEU 86 CO -0.05 -0.92 0.73 -2.28 -1.32 0.00 0.00 176.35 172.51 1xwn s HIS 87 N -1.47 -1.46 -0.60 5.38 2.46 -1.26 -5.11 115.29 113.23 1xwn s HIS 87 Ca 0.62 -0.01 -0.28 0.00 0.47 0.00 0.00 55.06 55.86 1xwn s HIS 87 Cb -0.31 0.28 -0.11 0.00 -0.13 0.00 0.00 32.58 32.31 1xwn s HIS 87 CO 0.38 -1.04 2.47 -2.30 -2.47 0.00 0.00 174.74 171.78 1xwn n PRO 88 N 3.83 0.82 0.00 2.88 -0.02 -1.26 -4.07 135.00 137.18 1xwn n PRO 88 Ca 0.12 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1xwn n PRO 88 Cb 0.58 -2.96 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 1xwn n PRO 88 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xwn n ASP 89 N 14.40 0.00 -3.94 2.55 2.03 -1.26 -5.15 116.55 125.17 1xwn n ASP 89 Ca 0.44 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.45 1xwn n ASP 89 Cb 0.41 0.17 0.24 0.00 -0.72 0.00 0.00 41.12 41.23 1xwn n ASP 89 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1xwn s LEU 90 N -3.53 0.42 0.34 -2.67 1.02 -1.26 -5.07 118.68 107.93 1xwn s LEU 90 Ca 0.00 0.86 0.08 0.00 0.02 0.00 0.00 54.13 55.09 1xwn s LEU 90 Cb 0.00 -2.61 -0.03 0.00 0.02 0.00 0.00 46.19 43.57 1xwn s LEU 90 CO 0.00 -4.28 0.27 -0.75 0.02 0.00 0.00 176.35 171.62 1xwn s LYS 91 N -5.15 2.68 -0.42 1.70 2.20 -1.26 -5.09 119.74 114.40 1xwn s LYS 91 Ca 0.69 -1.33 0.07 0.00 -0.36 0.00 0.00 55.97 55.05 1xwn s LYS 91 Cb -0.14 -2.44 0.24 0.00 -1.51 0.00 0.00 37.83 33.99 1xwn s LYS 91 CO 0.58 0.09 0.60 0.34 -0.36 0.00 0.00 175.35 176.60 1xwn n PHE 92 N -1.35 -1.13 0.11 4.03 7.35 -1.26 -4.97 117.46 120.24 1xwn n PHE 92 Ca -0.02 -3.10 0.14 0.00 -0.76 0.00 0.00 57.45 53.71 1xwn n PHE 92 Cb 0.60 0.14 0.65 0.00 0.35 0.00 0.00 39.48 41.22 1xwn n PHE 92 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1xwn h THR 93 N 2.38 0.87 0.00 -2.13 1.35 -1.96 -3.35 112.91 110.08 1xwn h THR 93 Ca 0.03 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1xwn h THR 93 Cb 0.92 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.17 1xwn h THR 93 CO 0.42 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 176.31 1xwn n GLY 94 N -1.58 3.00 3.56 5.82 0.00 -1.26 -3.77 105.19 110.96 1xwn n GLY 94 Ca 0.04 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.16 3.22 -0.05 4.61 0.00 -1.25 -2.93 121.76 125.21 1xwn s ALA 95 Ca 0.00 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 1xwn s ALA 95 Cb 0.00 -3.66 -0.00 0.00 0.00 0.00 0.00 23.12 19.46 1xwn s ALA 95 CO 0.00 -2.10 0.04 0.41 0.00 0.00 0.00 175.76 174.11 1xwn n GLY 96 N 4.95 0.37 3.17 0.00 0.00 0.90 -4.95 105.19 109.63 1xwn n GLY 96 Ca 0.06 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.01 1.01 -0.29 -0.61 -1.09 -1.07 -3.39 121.20 112.75 1xwn s ILE 97 Ca 0.01 -1.45 -0.01 0.00 -2.23 0.00 0.00 60.65 56.98 1xwn s ILE 97 Cb -0.00 -1.18 0.09 0.00 -1.58 0.00 0.00 42.46 39.80 1xwn s ILE 97 CO 0.04 -0.38 0.08 -0.22 -1.23 0.00 0.00 174.94 173.22 1xwn s LEU 98 N -2.06 2.27 0.00 2.97 2.96 -0.61 -2.60 118.68 121.62 1xwn s LEU 98 Ca 0.01 -1.55 0.03 0.00 -0.22 0.00 0.00 54.13 52.40 1xwn s LEU 98 Cb -0.07 -0.89 -0.03 0.00 0.50 0.00 0.00 46.19 45.70 1xwn s LEU 98 CO 0.01 -0.39 -0.05 0.00 -1.32 0.00 0.00 176.35 174.60 1xwn s ALA 99 N 1.60 3.09 -0.56 5.97 0.00 -1.21 0.50 121.76 131.14 1xwn s ALA 99 Ca 0.08 -1.00 -0.28 0.00 0.00 0.00 0.00 51.96 50.75 1xwn s ALA 99 Cb -0.17 -1.18 0.03 0.00 0.00 0.00 0.00 23.12 21.79 1xwn s ALA 99 CO -0.21 0.62 1.20 1.41 0.00 0.00 0.00 175.76 178.78 1xwn s MET 100 N -1.46 3.53 0.32 0.00 1.75 0.27 -3.28 119.30 120.43 1xwn s MET 100 Ca 0.18 0.32 -0.12 0.00 -1.25 0.00 0.00 55.69 54.81 1xwn s MET 100 Cb -0.11 -4.01 -0.08 0.00 2.84 0.00 0.00 34.83 33.47 1xwn s MET 100 CO 0.08 -1.65 0.69 0.00 -0.65 0.00 0.00 175.02 173.49 1xwn s ALA 101 N 4.96 3.40 0.21 4.11 0.00 -1.14 -3.07 121.76 130.22 1xwn s ALA 101 Ca 0.44 -0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.39 1xwn s ALA 101 Cb -0.08 -2.66 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 1xwn s ALA 101 CO 0.26 0.29 -0.19 0.54 0.00 0.00 0.00 175.76 176.67 1xwn s ASN 102 N -2.53 3.04 0.17 0.00 2.20 -1.26 -4.40 114.94 112.15 1xwn s ASN 102 Ca 0.51 -0.94 -0.01 0.00 -0.94 0.00 0.00 52.86 51.49 1xwn s ASN 102 Cb -0.10 -0.21 0.03 0.00 -2.00 0.00 0.00 41.25 38.96 1xwn s ASN 102 CO 0.22 -0.02 1.40 0.00 -2.94 0.00 0.00 177.10 175.77 1xwn h ALA 103 N 2.82 0.55 -3.00 3.54 0.00 -1.83 -3.48 119.26 117.86 1xwn h ALA 103 Ca -0.41 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 53.82 1xwn h ALA 103 Cb 1.22 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.96 1xwn h ALA 103 CO 0.55 0.81 0.28 0.20 0.00 0.00 0.00 179.25 181.09 1xwn s GLY 104 N -4.38 0.41 0.11 0.00 0.00 -1.16 -5.07 107.32 97.24 1xwn s GLY 104 Ca -0.05 -0.79 -0.31 0.00 0.00 0.00 0.00 44.72 43.57 1xwn s GLY 104 CO 0.84 -0.30 1.73 2.56 0.00 0.00 0.00 173.10 177.93 1xwn s PRO 105 N -2.16 4.17 -1.70 2.90 0.04 -1.26 -1.90 135.00 135.10 1xwn s PRO 105 Ca 0.16 2.48 -0.00 0.00 0.04 0.00 0.00 61.00 63.68 1xwn s PRO 105 Cb -0.05 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1xwn s PRO 105 CO 0.12 -0.77 0.02 -0.25 0.04 0.00 0.00 177.00 176.15 1xwn n ASP 106 N 5.37 -5.69 -3.43 6.66 9.92 -1.26 -4.95 116.55 123.16 1xwn n ASP 106 Ca 0.17 -0.03 -0.25 0.00 -0.53 0.00 0.00 54.79 54.15 1xwn n ASP 106 Cb 0.39 -4.71 -0.11 0.00 -0.64 0.00 0.00 41.12 36.05 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 -3.00 -0.03 0.21 -3.53 2.01 -0.80 -4.41 115.64 106.09 1xwn s THR 107 Ca 0.01 -1.39 -0.00 0.00 0.31 0.00 0.00 61.69 60.61 1xwn s THR 107 Cb -0.00 -0.97 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1xwn s THR 107 CO 0.01 -0.84 0.39 0.20 -0.69 0.00 0.00 174.62 173.69 1xwn s ASN 108 N 1.28 6.38 0.00 3.53 0.01 -1.16 -2.45 114.94 122.53 1xwn s ASN 108 Ca 0.17 0.38 0.00 0.00 -0.71 0.00 0.00 52.86 52.69 1xwn s ASN 108 Cb -0.20 -2.00 0.00 0.00 0.41 0.00 0.00 41.25 39.46 1xwn s ASN 108 CO -0.04 -0.05 0.00 0.61 -1.51 0.00 0.00 177.10 176.11 1xwn n GLY 109 N -0.75 4.85 2.79 0.66 0.00 -1.26 -4.28 105.19 107.19 1xwn n GLY 109 Ca -0.05 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 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 6.34 -3.91 1.61 7.64 -1.26 -4.98 113.62 119.06 1xwn n SER 110 Ca 0.00 -3.56 -0.11 0.00 1.01 0.00 0.00 58.87 56.22 1xwn n SER 110 Cb 0.00 -1.09 -0.12 0.00 -1.01 0.00 0.00 64.21 61.99 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 -3.46 0.26 0.19 1.43 -2.07 -1.26 -0.04 119.66 114.71 1xwn s GLN 111 Ca 0.37 -0.33 -0.13 0.00 -1.82 0.00 0.00 55.36 53.45 1xwn s GLN 111 Cb 0.14 0.10 0.00 0.00 -1.09 0.00 0.00 33.01 32.16 1xwn s GLN 111 CO -0.02 -0.05 0.40 -0.06 -1.32 0.00 0.00 175.29 174.24 1xwn s PHE 112 N -0.93 0.22 0.01 9.60 0.40 -1.20 -2.90 117.98 123.18 1xwn s PHE 112 Ca -0.10 -0.58 0.01 0.00 -0.60 0.00 0.00 56.93 55.66 1xwn s PHE 112 Cb -0.06 0.14 -0.01 0.00 0.51 0.00 0.00 43.02 43.60 1xwn s PHE 112 CO -0.00 -0.84 -0.04 -0.59 0.70 0.00 0.00 175.22 174.45 1xwn s PHE 113 N -3.95 0.32 -0.36 0.36 -0.71 -1.21 -0.53 117.98 111.90 1xwn s PHE 113 Ca 0.16 -0.16 -0.05 0.00 -1.04 0.00 0.00 56.93 55.83 1xwn s PHE 113 Cb 0.01 -0.20 0.06 0.00 -1.21 0.00 0.00 43.02 41.68 1xwn s PHE 113 CO 0.01 -0.04 0.13 0.08 -1.34 0.00 0.00 175.22 174.06 1xwn s VAL 114 N -0.40 3.54 0.11 -2.49 1.01 0.93 -3.29 120.40 119.80 1xwn s VAL 114 Ca -0.02 -1.45 -0.30 0.00 0.00 0.00 0.00 61.98 60.21 1xwn s VAL 114 Cb -0.03 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 1xwn s VAL 114 CO -0.00 -0.33 0.95 0.42 0.00 0.00 0.00 175.10 176.14 1xwn s THR 115 N 1.31 4.50 -0.07 3.92 -4.23 -1.07 -2.18 115.64 117.82 1xwn s THR 115 Ca 0.00 2.04 0.08 0.00 -1.18 0.00 0.00 61.69 62.64 1xwn s THR 115 Cb -0.21 -4.31 -0.12 0.00 1.34 0.00 0.00 72.50 69.20 1xwn s THR 115 CO 0.00 0.33 0.07 0.00 -0.54 0.00 0.00 174.62 174.48 1xwn n LEU 116 N 2.75 0.00 -4.80 4.79 -0.00 -1.08 -0.07 117.00 118.58 1xwn n LEU 116 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.74 1xwn n LEU 116 Cb 0.49 0.16 -0.06 0.00 -0.00 0.00 0.00 43.42 44.02 1xwn n LEU 116 CO 0.51 0.16 -0.23 0.00 -0.00 0.00 0.00 177.39 177.83 1xwn s ALA 117 N -2.32 3.63 0.13 1.47 0.00 -1.21 -3.88 121.76 119.58 1xwn s ALA 117 Ca -0.04 -1.05 -0.35 0.00 0.00 0.00 0.00 51.96 50.52 1xwn s ALA 117 Cb 0.03 -1.47 -0.15 0.00 0.00 0.00 0.00 23.12 21.54 1xwn s ALA 117 CO 0.37 0.68 1.48 -2.30 0.00 0.00 0.00 175.76 175.98 1xwn n PRO 118 N 0.18 1.73 -2.75 0.00 -0.02 -1.26 -3.93 135.00 128.95 1xwn n PRO 118 Ca -0.08 0.62 -0.05 0.00 -2.02 0.00 0.00 63.50 61.98 1xwn n PRO 118 Cb 0.52 -2.34 0.02 0.00 -0.02 0.00 0.00 33.50 31.69 1xwn n PRO 118 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1xwn n THR 119 N 3.01 0.00 1.59 3.45 5.66 -1.25 -4.93 114.28 121.82 1xwn n THR 119 Ca 0.17 -1.06 0.15 0.00 -3.05 0.00 0.00 64.05 60.26 1xwn n THR 119 Cb 0.25 1.09 0.78 0.00 -1.55 0.00 0.00 70.33 70.90 1xwn n THR 119 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xwn n GLN 120 N 2.63 0.67 0.02 1.09 6.02 -1.26 -3.32 117.38 123.23 1xwn n GLN 120 Ca 0.16 -0.06 -0.03 0.00 -0.01 0.00 0.00 57.00 57.05 1xwn n GLN 120 Cb 0.58 -1.50 -0.10 0.00 1.02 0.00 0.00 30.24 30.24 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 0.16 0.00 0.00 1.08 0.09 -1.94 -3.33 115.95 112.01 1xwn h TRP 121 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.98 1xwn h TRP 121 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.16 29.46 1xwn h TRP 121 CO 0.00 0.72 -0.02 -0.07 0.09 0.00 0.00 178.44 179.16 1xwn h LEU 122 N 0.00 0.00 -8.13 0.11 -0.00 -1.97 -3.39 115.31 101.94 1xwn h LEU 122 Ca -0.19 0.00 -0.22 0.00 -0.00 0.00 0.00 57.88 57.47 1xwn h LEU 122 Cb 1.72 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.35 1xwn h LEU 122 CO 0.06 0.02 0.64 -0.62 -0.00 0.00 0.00 178.44 178.54 1xwn s ASP 123 N -5.54 4.62 0.00 -0.43 -1.08 -1.25 -2.98 116.67 110.01 1xwn s ASP 123 Ca -0.03 -0.99 0.00 0.00 -0.52 0.00 0.00 52.55 51.01 1xwn s ASP 123 Cb 0.12 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.00 1xwn s ASP 123 CO 0.49 -3.39 0.00 0.61 0.52 0.00 0.00 175.17 173.40 1xwn n GLY 124 N 6.34 -0.29 0.11 2.66 0.00 -1.26 -4.97 105.19 107.78 1xwn n GLY 124 Ca 0.43 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.28 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 0.29 -5.65 1.61 1.57 -1.86 -3.45 116.57 109.09 1xwn h LYS 125 Ca 0.00 -0.50 -0.64 0.00 -1.87 0.00 0.00 60.65 57.64 1xwn h LYS 125 Cb 0.00 0.19 -0.32 0.00 0.08 0.00 0.00 32.23 32.18 1xwn h LYS 125 CO 0.00 1.24 -0.87 -1.01 -0.57 0.00 0.00 179.45 178.24 1xwn s HIS 126 N -2.65 2.17 0.62 -1.35 3.76 -1.26 -4.83 115.29 111.76 1xwn s HIS 126 Ca -0.05 -0.68 -0.10 0.00 -0.15 0.00 0.00 55.06 54.08 1xwn s HIS 126 Cb 0.07 -1.44 -0.03 0.00 1.11 0.00 0.00 32.58 32.29 1xwn s HIS 126 CO 0.89 -0.23 1.02 0.99 -0.85 0.00 0.00 174.74 176.56 1xwn s THR 127 N -0.01 4.43 0.93 1.30 2.01 -1.17 -4.76 115.64 118.37 1xwn s THR 127 Ca -0.06 0.70 -0.16 0.00 0.31 0.00 0.00 61.69 62.49 1xwn s THR 127 Cb -0.14 -3.77 0.22 0.00 0.01 0.00 0.00 72.50 68.82 1xwn s THR 127 CO 0.04 -0.99 1.25 0.00 -0.69 0.00 0.00 174.62 174.23 1xwn n ILE 128 N -2.75 0.00 0.00 1.82 3.06 -1.26 0.93 119.36 121.16 1xwn n ILE 128 Ca 0.06 -0.90 0.00 0.00 -2.50 0.00 0.00 62.75 59.40 1xwn n ILE 128 Cb 0.55 -1.52 0.00 0.00 0.54 0.00 0.00 39.64 39.20 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 -3.78 0.00 -4.04 9.51 1.16 -0.99 -3.52 117.46 115.80 1xwn n PHE 129 Ca 0.16 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.59 1xwn n PHE 129 Cb 0.55 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.39 1xwn n PHE 129 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1xwn n GLY 130 N -0.65 1.90 3.22 4.97 0.00 0.18 -3.06 105.19 111.74 1xwn n GLY 130 Ca 0.00 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 1xwn n GLY 130 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xwn s ARG 131 N -2.72 0.61 0.17 1.61 3.52 -0.76 -1.57 118.95 119.81 1xwn s ARG 131 Ca 0.28 -0.15 -0.30 0.00 -0.13 0.00 0.00 55.73 55.43 1xwn s ARG 131 Cb -0.02 0.27 -0.07 0.00 -1.56 0.00 0.00 34.95 33.57 1xwn s ARG 131 CO 0.20 -0.16 0.98 0.14 -0.81 0.00 0.00 175.30 175.65 1xwn s VAL 132 N -1.17 4.23 -0.02 7.11 -7.23 -1.22 0.30 120.40 122.40 1xwn s VAL 132 Ca -0.12 1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 62.03 1xwn s VAL 132 Cb -0.05 -4.27 -0.01 0.00 0.56 0.00 0.00 36.38 32.61 1xwn s VAL 132 CO 0.03 0.37 -0.02 0.00 -0.31 0.00 0.00 175.10 175.18 1xwn s GLN 134 N -2.03 0.89 0.00 0.00 0.74 -0.22 -4.88 119.66 114.16 1xwn s GLN 134 Ca -0.02 -1.90 0.00 0.00 0.05 0.00 0.00 55.36 53.48 1xwn s GLN 134 Cb 0.01 -1.22 0.00 0.00 1.10 0.00 0.00 33.01 32.89 1xwn s GLN 134 CO 0.03 -1.37 0.00 0.41 -0.55 0.00 0.00 175.29 173.82 1xwn n GLY 135 N 2.97 0.02 0.40 2.59 0.00 -1.26 0.40 105.19 110.30 1xwn n GLY 135 Ca 0.27 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.64 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 0.05 -0.42 -0.61 2.10 -1.89 0.28 117.51 117.02 1xwn h ILE 136 Ca 0.00 -0.02 0.02 0.00 1.08 0.00 0.00 64.86 65.94 1xwn h ILE 136 Cb 0.00 0.00 -0.03 0.00 -1.09 0.00 0.00 36.82 35.70 1xwn h ILE 136 CO 0.00 0.01 0.24 1.23 -1.08 0.00 0.00 178.15 178.55 1xwn h GLY 137 N 0.05 0.59 0.99 8.18 0.00 -1.97 -2.13 103.07 108.77 1xwn h GLY 137 Ca 0.85 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 48.01 1xwn h GLY 137 CO -0.60 0.16 0.56 1.98 0.00 0.00 0.00 176.54 178.64 1xwn h MET 138 N 0.49 1.10 -0.59 4.80 1.85 -0.78 -2.03 114.93 119.78 1xwn h MET 138 Ca 0.17 -0.07 0.05 0.00 -0.61 0.00 0.00 59.70 59.24 1xwn h MET 138 Cb 0.02 -0.25 -0.05 0.00 0.43 0.00 0.00 31.60 31.75 1xwn h MET 138 CO -0.08 0.73 0.32 0.28 -0.40 0.00 0.00 176.91 177.75 1xwn h VAL 139 N 1.14 0.97 -0.82 -5.77 2.07 -1.21 -1.82 116.25 110.81 1xwn h VAL 139 Ca 0.32 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 1xwn h VAL 139 Cb -0.11 0.32 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 1xwn h VAL 139 CO -0.08 0.11 0.43 0.78 0.02 0.00 0.00 177.57 178.84 1xwn h ASN 140 N 0.60 1.04 -0.94 0.57 2.35 -0.85 -2.55 115.58 115.80 1xwn h ASN 140 Ca 0.26 -0.11 0.08 0.00 -0.55 0.00 0.00 56.30 55.98 1xwn h ASN 140 Cb 0.14 -0.26 -0.07 0.00 0.05 0.00 0.00 38.32 38.18 1xwn h ASN 140 CO -0.16 0.85 0.59 -0.09 -1.65 0.00 0.00 177.43 176.97 1xwn h ARG 141 N 1.14 1.01 -0.89 0.81 2.43 -0.66 0.45 114.38 118.68 1xwn h ARG 141 Ca 0.29 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.47 1xwn h ARG 141 Cb 0.06 -0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.32 1xwn h ARG 141 CO -0.04 0.67 0.58 0.28 -1.51 0.00 0.00 179.97 179.94 1xwn h VAL 142 N 1.04 1.03 0.00 0.20 2.07 -1.00 -2.32 116.25 117.27 1xwn h VAL 142 Ca 0.42 -0.33 -0.28 0.00 0.82 0.00 0.00 66.70 67.33 1xwn h VAL 142 Cb 0.25 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 1xwn h VAL 142 CO -0.20 0.18 -1.61 1.23 0.02 0.00 0.00 177.57 177.19 1xwn h GLY 143 N 0.96 0.00 2.00 2.17 0.00 -1.28 -3.34 103.07 103.58 1xwn h GLY 143 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1xwn h GLY 143 CO -0.15 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.06 1xwn h MET 144 N 0.00 0.00 -0.80 4.80 2.07 0.29 -2.70 114.93 118.60 1xwn h MET 144 Ca -0.25 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.38 1xwn h MET 144 Cb 1.98 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.71 1xwn h MET 144 CO 0.09 0.00 0.00 1.33 1.07 0.00 0.00 176.91 179.40 1xwn n VAL 145 N -2.60 1.11 -0.76 -2.22 0.24 -0.91 -5.02 118.33 108.16 1xwn n VAL 145 Ca 0.00 -0.57 0.09 0.00 -2.04 0.00 0.00 64.34 61.83 1xwn n VAL 145 Cb 0.19 -0.38 -0.04 0.00 -1.47 0.00 0.00 33.84 32.14 1xwn n VAL 145 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1xwn n GLU 146 N 0.27 -1.71 -4.16 7.34 2.13 -1.02 -4.76 120.64 118.74 1xwn n GLU 146 Ca 0.11 1.34 -0.14 0.00 0.66 0.00 0.00 57.16 59.13 1xwn n GLU 146 Cb 0.62 -2.01 -0.07 0.00 0.27 0.00 0.00 31.44 30.25 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 -3.16 0.00 0.22 6.31 -4.23 -1.26 -4.21 115.64 109.31 1xwn s THR 147 Ca 0.00 -1.79 -0.01 0.00 -1.18 0.00 0.00 61.69 58.70 1xwn s THR 147 Cb 0.00 -2.49 0.05 0.00 1.34 0.00 0.00 72.50 71.40 1xwn s THR 147 CO 0.00 0.00 0.31 0.59 -0.54 0.00 0.00 174.62 174.98 1xwn n ASN 148 N -0.91 0.27 -1.92 3.99 5.03 -0.77 -4.96 115.26 115.99 1xwn n ASN 148 Ca 0.02 -1.26 -0.19 0.00 0.87 0.00 0.00 54.58 54.02 1xwn n ASN 148 Cb 0.63 -0.21 0.10 0.00 -1.02 0.00 0.00 39.78 39.28 1xwn n ASN 148 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1xwn n SER 149 N -3.06 4.80 -1.39 6.41 7.64 -1.26 -3.92 113.62 122.84 1xwn n SER 149 Ca 0.05 -3.19 -0.05 0.00 1.01 0.00 0.00 58.87 56.69 1xwn n SER 149 Cb 0.16 -0.84 -0.02 0.00 -1.01 0.00 0.00 64.21 62.50 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 -0.44 0.28 -3.73 1.43 1.13 -1.26 -5.01 117.38 109.77 1xwn n GLN 150 Ca 0.41 -1.23 -0.23 0.00 -1.94 0.00 0.00 57.00 54.01 1xwn n GLN 150 Cb 1.04 0.36 0.02 0.00 0.11 0.00 0.00 30.24 31.78 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xwn n ASP 151 N -0.21 -1.53 -4.27 1.08 8.00 -1.25 -4.85 116.55 113.52 1xwn n ASP 151 Ca -0.21 -0.87 -0.27 0.00 0.71 0.00 0.00 54.79 54.15 1xwn n ASP 151 Cb 0.79 -3.84 -0.15 0.00 -0.02 0.00 0.00 41.12 37.90 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1xwn s ARG 152 N -6.03 1.57 0.33 -1.24 3.52 -1.26 -0.91 118.95 114.93 1xwn s ARG 152 Ca 0.06 -0.93 -0.28 0.00 -0.13 0.00 0.00 55.73 54.45 1xwn s ARG 152 Cb -0.02 -1.66 -0.09 0.00 -1.56 0.00 0.00 34.95 31.62 1xwn s ARG 152 CO 0.83 0.43 1.12 -1.25 -0.81 0.00 0.00 175.30 175.62 1xwn s PRO 153 N -1.02 4.43 0.09 5.12 0.04 -1.26 -1.84 135.00 140.56 1xwn s PRO 153 Ca 0.09 1.79 -0.05 0.00 0.04 0.00 0.00 61.00 62.87 1xwn s PRO 153 Cb -0.09 -2.97 -0.23 0.00 0.04 0.00 0.00 34.50 31.24 1xwn s PRO 153 CO 0.01 0.02 1.18 -0.39 0.04 0.00 0.00 177.00 177.87 1xwn h VAL 154 N 2.80 1.46 -0.65 -0.36 -1.51 -1.86 -3.29 116.25 112.84 1xwn h VAL 154 Ca -0.48 -2.88 0.00 0.00 -1.23 0.00 0.00 66.70 62.11 1xwn h VAL 154 Cb 1.22 2.81 0.00 0.00 -2.13 0.00 0.00 31.29 33.19 1xwn h VAL 154 CO 0.65 0.85 0.00 -0.90 -1.23 0.00 0.00 177.57 176.94 1xwn n ASP 155 N -3.60 4.02 -1.06 4.19 5.68 -1.26 -5.07 116.55 119.45 1xwn n ASP 155 Ca -0.08 -2.14 0.00 0.00 -0.50 0.00 0.00 54.79 52.07 1xwn n ASP 155 Cb 0.98 -0.48 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1xwn n ASP 155 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1xwn n ASP 156 N 1.30 -6.10 -4.05 -1.12 -0.08 -1.24 -5.03 116.55 100.22 1xwn n ASP 156 Ca 0.23 0.82 -0.24 0.00 -1.51 0.00 0.00 54.79 54.09 1xwn n ASP 156 Cb 0.67 -2.79 -0.16 0.00 2.34 0.00 0.00 41.12 41.18 1xwn n ASP 156 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1xwn s VAL 157 N -2.68 1.14 0.05 5.18 1.01 -1.26 -4.85 120.40 118.98 1xwn s VAL 157 Ca 0.00 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.40 1xwn s VAL 157 Cb 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1xwn s VAL 157 CO 0.00 0.35 0.11 -0.75 0.00 0.00 0.00 175.10 174.80 1xwn s LYS 158 N 0.37 0.66 -0.22 2.72 2.20 -1.26 -3.27 119.74 120.94 1xwn s LYS 158 Ca -0.09 -0.85 -0.04 0.00 -0.36 0.00 0.00 55.97 54.63 1xwn s LYS 158 Cb -0.13 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.44 1xwn s LYS 158 CO 0.03 -0.17 -0.02 0.42 -0.36 0.00 0.00 175.35 175.24 1xwn s ILE 159 N -3.06 3.55 -0.05 5.43 1.01 0.19 0.44 121.20 128.72 1xwn s ILE 159 Ca -0.01 -0.43 -0.19 0.00 0.00 0.00 0.00 60.65 60.02 1xwn s ILE 159 Cb 0.01 -2.62 -0.31 0.00 0.01 0.00 0.00 42.46 39.55 1xwn s ILE 159 CO -0.07 0.41 0.82 0.16 0.00 0.00 0.00 174.94 176.26 1xwn h ILE 160 N 5.66 1.34 -1.81 2.92 3.07 -1.81 -2.67 117.51 124.21 1xwn h ILE 160 Ca -0.40 -2.53 0.32 0.00 1.55 0.00 0.00 64.86 63.79 1xwn h ILE 160 Cb 1.16 3.04 -0.09 0.00 -0.27 0.00 0.00 36.82 40.67 1xwn h ILE 160 CO 0.60 0.73 0.83 -1.59 -1.05 0.00 0.00 178.15 177.67 1xwn s LYS 161 N -2.47 0.48 -0.15 0.16 -2.85 -0.68 -3.48 119.74 110.74 1xwn s LYS 161 Ca -0.14 -0.29 -0.10 0.00 -1.00 0.00 0.00 55.97 54.43 1xwn s LYS 161 Cb 0.02 0.15 0.05 0.00 -2.06 0.00 0.00 37.83 35.99 1xwn s LYS 161 CO 0.83 -0.22 0.39 0.00 0.10 0.00 0.00 175.35 176.45 1xwn s ALA 162 N -2.27 -0.97 0.08 0.59 0.00 -1.26 -2.18 121.76 115.75 1xwn s ALA 162 Ca 0.20 1.32 -0.16 0.00 0.00 0.00 0.00 51.96 53.33 1xwn s ALA 162 Cb 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.38 1xwn s ALA 162 CO -0.02 -0.23 0.37 1.52 0.00 0.00 0.00 175.76 177.40 1xwn s TYR 163 N 0.96 -0.18 0.42 0.00 1.13 -0.96 -4.48 117.35 114.23 1xwn s TYR 163 Ca -0.06 -0.02 -0.22 0.00 -1.41 0.00 0.00 57.07 55.36 1xwn s TYR 163 Cb -0.07 0.19 -0.10 0.00 -1.10 0.00 0.00 41.96 40.88 1xwn s TYR 163 CO -0.08 -0.61 0.96 -1.25 -2.51 0.00 0.00 175.55 172.07 1xwn s PRO 164 N -3.13 4.25 0.56 -3.49 0.04 -1.26 -0.36 135.00 131.61 1xwn s PRO 164 Ca -0.01 1.19 -0.21 0.00 0.04 0.00 0.00 61.00 62.02 1xwn s PRO 164 Cb 0.01 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 1xwn s PRO 164 CO -0.07 -0.02 1.31 -1.12 0.04 0.00 0.00 177.00 177.14 1xwn s SER 165 N -2.04 5.22 0.00 6.66 0.01 -0.88 -4.69 113.70 117.98 1xwn s SER 165 Ca 0.60 2.66 0.00 0.00 1.31 0.00 0.00 55.95 60.52 1xwn s SER 165 Cb -0.12 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.49 1xwn s SER 165 CO 0.16 -1.60 0.00 0.61 0.41 0.00 0.00 173.24 172.82