#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 2.08 -3.64 3.04 0.00 -1.26 -5.15 120.51 115.58 1xwn n ALA 2 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 1xwn n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -1.84 -1.97 -0.13 0.00 0.00 -1.26 -5.07 121.76 111.49 1xwn s ALA 3 Ca 0.00 2.31 -0.29 0.00 0.00 0.00 0.00 51.96 53.98 1xwn s ALA 3 Cb 0.00 -1.47 -0.26 0.00 0.00 0.00 0.00 23.12 21.39 1xwn s ALA 3 CO 0.00 -0.36 0.79 0.82 0.00 0.00 0.00 175.76 177.01 1xwn h ILE 4 N 4.82 1.77 -3.36 0.00 1.08 -2.10 -3.45 117.51 116.27 1xwn h ILE 4 Ca -0.29 -2.31 -0.55 0.00 -0.39 0.00 0.00 64.86 61.32 1xwn h ILE 4 Cb 1.21 3.34 -0.03 0.00 -3.07 0.00 0.00 36.82 38.27 1xwn h ILE 4 CO 0.15 0.60 0.37 -2.16 -0.69 0.00 0.00 178.15 176.42 1xwn s PRO 5 N -2.31 4.48 0.46 2.37 0.04 -1.26 -5.06 135.00 133.72 1xwn s PRO 5 Ca -0.19 1.28 -0.08 0.00 0.04 0.00 0.00 61.00 62.06 1xwn s PRO 5 Cb -0.03 -3.49 0.11 0.00 0.04 0.00 0.00 34.50 31.14 1xwn s PRO 5 CO 0.69 -0.12 0.51 -0.35 0.04 0.00 0.00 177.00 177.78 1xwn n PRO 6 N 4.26 -1.23 -3.77 0.56 -0.04 -1.26 -5.07 135.00 128.45 1xwn n PRO 6 Ca 0.05 -0.80 -0.29 0.00 -0.04 0.00 0.00 63.50 62.42 1xwn n PRO 6 Cb 0.50 -0.63 -0.15 0.00 -0.04 0.00 0.00 33.50 33.18 1xwn n PRO 6 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xwn s ASP 7 N -2.90 3.71 0.15 3.54 2.15 -1.26 -4.99 116.67 117.08 1xwn s ASP 7 Ca 0.31 -1.36 -0.03 0.00 0.43 0.00 0.00 52.55 51.90 1xwn s ASP 7 Cb -0.02 -0.85 -0.02 0.00 -0.30 0.00 0.00 42.92 41.74 1xwn s ASP 7 CO 0.23 -0.36 1.37 0.77 -0.17 0.00 0.00 175.17 177.01 1xwn h SER 8 N 8.10 0.51 -3.88 -0.34 4.64 -2.07 -3.50 113.55 117.02 1xwn h SER 8 Ca -0.15 -0.37 0.08 0.00 -0.47 0.00 0.00 61.79 60.88 1xwn h SER 8 Cb 1.05 -0.15 -0.04 0.00 -0.31 0.00 0.00 62.40 62.95 1xwn h SER 8 CO 0.43 1.14 -0.58 1.87 -0.87 0.00 0.00 176.83 178.81 1xwn n TRP 9 N -3.79 -2.19 -1.74 4.77 -0.00 -1.26 -4.86 117.44 108.36 1xwn n TRP 9 Ca -0.05 1.20 -0.42 0.00 -0.00 0.00 0.00 57.50 58.22 1xwn n TRP 9 Cb 0.77 -2.04 -0.01 0.00 -0.00 0.00 0.00 31.31 30.03 1xwn n TRP 9 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1xwn n GLN 10 N -2.56 2.48 -2.04 5.87 10.64 -1.26 -4.99 117.38 125.52 1xwn n GLN 10 Ca -0.02 0.87 -0.32 0.00 -1.83 0.00 0.00 57.00 55.70 1xwn n GLN 10 Cb 0.30 -2.56 0.00 0.00 -0.86 0.00 0.00 30.24 27.12 1xwn n GLN 10 CO 0.00 0.00 0.00 -1.25 -1.83 0.00 0.00 177.06 173.98 1xwn s PRO 11 N -1.79 3.58 -0.99 2.61 0.04 -1.26 -4.91 135.00 132.28 1xwn s PRO 11 Ca 0.56 0.92 -0.09 0.00 0.04 0.00 0.00 61.00 62.43 1xwn s PRO 11 Cb -0.51 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 31.88 1xwn s PRO 11 CO 0.61 -0.58 2.17 -2.30 0.04 0.00 0.00 177.00 176.94 1xwn n PRO 12 N -2.28 2.19 -4.35 0.56 -0.02 -1.26 -4.30 135.00 125.54 1xwn n PRO 12 Ca 0.07 -1.65 -0.19 0.00 -2.02 0.00 0.00 63.50 59.71 1xwn n PRO 12 Cb 0.54 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 1xwn n PRO 12 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1xwn s ASN 13 N 3.54 2.63 0.09 2.55 -0.87 -1.26 -3.06 114.94 118.56 1xwn s ASN 13 Ca 0.46 -1.03 0.03 0.00 -1.57 0.00 0.00 52.86 50.76 1xwn s ASN 13 Cb 0.12 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.25 41.17 1xwn s ASN 13 CO -0.01 -0.16 -0.09 0.68 -2.57 0.00 0.00 177.10 174.94 1xwn s VAL 14 N -2.95 0.86 -0.29 1.60 -7.23 0.68 -1.12 120.40 111.95 1xwn s VAL 14 Ca 0.23 -1.58 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1xwn s VAL 14 Cb -0.01 -1.27 0.04 0.00 0.56 0.00 0.00 36.38 35.70 1xwn s VAL 14 CO 0.07 -0.55 -0.00 -0.31 -0.31 0.00 0.00 175.10 174.00 1xwn s TYR 15 N -2.37 3.22 -0.45 2.82 1.51 0.41 -0.54 117.35 121.94 1xwn s TYR 15 Ca 0.04 -1.72 -0.20 0.00 -1.01 0.00 0.00 57.07 54.17 1xwn s TYR 15 Cb -0.03 -2.12 0.03 0.00 -0.11 0.00 0.00 41.96 39.73 1xwn s TYR 15 CO -0.00 -0.77 0.64 -0.51 -1.11 0.00 0.00 175.55 173.80 1xwn s LEU 16 N 1.29 4.58 -0.41 -1.29 1.43 -0.49 -2.12 118.68 121.66 1xwn s LEU 16 Ca -0.03 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.33 1xwn s LEU 16 Cb -0.19 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.39 1xwn s LEU 16 CO -0.01 -0.81 1.07 -1.61 0.23 0.00 0.00 176.35 175.22 1xwn s GLU 17 N 2.80 3.82 0.04 1.70 0.41 0.34 -2.58 118.70 125.23 1xwn s GLU 17 Ca 0.21 0.67 0.06 0.00 -0.41 0.00 0.00 54.97 55.51 1xwn s GLU 17 Cb -0.15 -3.84 -0.02 0.00 -1.78 0.00 0.00 34.13 28.33 1xwn s GLU 17 CO 0.18 -1.16 -0.18 0.99 -0.49 0.00 0.00 175.26 174.60 1xwn s THR 18 N 4.00 1.45 0.36 3.63 2.01 -1.23 -0.67 115.64 125.19 1xwn s THR 18 Ca 0.45 -1.11 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1xwn s THR 18 Cb -0.10 -1.27 0.30 0.00 0.01 0.00 0.00 72.50 71.44 1xwn s THR 18 CO 0.24 0.13 1.94 -1.28 -0.69 0.00 0.00 174.62 174.97 1xwn h SER 19 N 4.91 0.65 0.31 3.53 0.87 -0.18 0.12 113.55 123.76 1xwn h SER 19 Ca -0.41 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.11 1xwn h SER 19 Cb 1.17 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1xwn h SER 19 CO 0.44 0.40 -0.26 -0.03 -0.53 0.00 0.00 176.83 176.85 1xwn h MET 20 N 0.72 0.00 0.00 2.24 1.85 -1.89 -3.48 114.93 114.37 1xwn h MET 20 Ca 0.34 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.43 1xwn h MET 20 Cb 0.38 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.41 1xwn h MET 20 CO -0.12 0.26 0.00 0.41 -0.40 0.00 0.00 176.91 177.06 1xwn n GLY 21 N -0.69 3.93 3.75 1.39 0.00 0.43 -5.06 105.19 108.94 1xwn n GLY 21 Ca -0.02 -0.78 -0.40 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.00 4.11 -0.09 -0.61 2.07 -1.25 -3.54 121.20 119.88 1xwn s ILE 22 Ca 0.00 2.06 -0.06 0.00 -1.41 0.00 0.00 60.65 61.24 1xwn s ILE 22 Cb 0.00 -4.32 0.04 0.00 0.13 0.00 0.00 42.46 38.31 1xwn s ILE 22 CO 0.00 0.50 0.22 0.27 -1.91 0.00 0.00 174.94 174.02 1xwn s ILE 23 N -1.14 -0.03 -0.01 2.00 -4.36 -1.07 -4.76 121.20 111.83 1xwn s ILE 23 Ca 0.41 0.10 -0.16 0.00 -0.26 0.00 0.00 60.65 60.74 1xwn s ILE 23 Cb -0.26 -0.34 -0.06 0.00 1.25 0.00 0.00 42.46 43.06 1xwn s ILE 23 CO 0.31 0.04 0.45 -0.69 0.24 0.00 0.00 174.94 175.30 1xwn s VAL 24 N 0.85 5.01 0.06 8.37 1.01 0.24 -1.40 120.40 134.54 1xwn s VAL 24 Ca -0.06 0.93 0.05 0.00 0.00 0.00 0.00 61.98 62.90 1xwn s VAL 24 Cb -0.07 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1xwn s VAL 24 CO -0.05 0.52 -0.15 -0.76 0.00 0.00 0.00 175.10 174.66 1xwn s LEU 25 N -0.70 2.22 -0.36 3.92 1.43 0.30 -3.13 118.68 122.37 1xwn s LEU 25 Ca 0.25 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 1xwn s LEU 25 Cb -0.17 -0.59 0.00 0.00 0.03 0.00 0.00 46.19 45.47 1xwn s LEU 25 CO 0.14 -0.01 0.23 -0.70 0.23 0.00 0.00 176.35 176.23 1xwn s GLU 26 N -1.44 3.21 -0.28 1.70 2.12 0.13 -0.23 118.70 123.91 1xwn s GLU 26 Ca 0.00 -0.83 -0.14 0.00 0.36 0.00 0.00 54.97 54.36 1xwn s GLU 26 Cb -0.09 -3.78 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 1xwn s GLU 26 CO 0.02 -0.56 0.33 -0.51 -0.54 0.00 0.00 175.26 174.00 1xwn s LEU 27 N 1.66 4.11 -0.50 2.70 1.43 -1.17 -0.22 118.68 126.68 1xwn s LEU 27 Ca 0.05 0.13 -0.27 0.00 -1.03 0.00 0.00 54.13 53.01 1xwn s LEU 27 Cb -0.18 -2.35 -0.03 0.00 0.03 0.00 0.00 46.19 43.66 1xwn s LEU 27 CO 0.09 -0.18 1.99 -0.31 0.23 0.00 0.00 176.35 178.16 1xwn s TYR 28 N 2.00 1.54 -1.76 0.29 2.02 -1.21 -4.83 117.35 115.40 1xwn s TYR 28 Ca 0.13 0.92 0.01 0.00 -0.37 0.00 0.00 57.07 57.75 1xwn s TYR 28 Cb -0.16 -3.97 0.02 0.00 -0.40 0.00 0.00 41.96 37.45 1xwn s TYR 28 CO 0.10 -2.61 0.90 -2.67 -1.57 0.00 0.00 175.55 169.71 1xwn n TRP 29 N 12.83 0.04 -0.07 2.71 4.27 -1.26 -1.43 117.44 134.53 1xwn n TRP 29 Ca 0.25 -0.02 -0.07 0.00 -3.89 0.00 0.00 57.50 53.77 1xwn n TRP 29 Cb 0.51 -0.03 -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 -0.33 0.43 -0.01 -2.67 5.02 -1.26 -4.47 118.16 114.88 1xwn n LYS 30 Ca 0.01 0.17 0.10 0.00 -2.02 0.00 0.00 58.31 56.57 1xwn n LYS 30 Cb 0.08 -1.26 -0.14 0.00 -0.02 0.00 0.00 35.03 33.69 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 -4.10 0.00 0.94 2.13 8.25 -1.25 -4.43 115.22 116.76 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 -0.26 0.17 0.00 1.12 0.00 0.00 29.99 31.44 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 -1.89 2.47 -0.49 -1.41 0.00 -0.51 -4.60 120.51 114.07 1xwn n ALA 32 Ca -0.00 -0.71 0.41 0.00 0.00 0.00 0.00 53.44 53.13 1xwn n ALA 32 Cb 0.44 -0.87 0.69 0.00 0.00 0.00 0.00 19.45 19.72 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 4.36 0.03 0.82 0.00 0.11 -1.77 0.70 132.00 136.25 1xwn h PRO 33 Ca 0.00 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1xwn h PRO 33 Cb 0.93 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.04 1xwn h PRO 33 CO 0.00 0.02 -0.39 -0.22 -0.21 0.00 0.00 178.00 177.19 1xwn h LYS 34 N 0.03 -1.06 -0.35 1.05 1.63 -1.92 -0.13 116.57 115.81 1xwn h LYS 34 Ca 0.87 0.07 -0.08 0.00 -0.85 0.00 0.00 60.65 60.67 1xwn h LYS 34 Cb 2.87 0.24 -0.01 0.00 -0.60 0.00 0.00 32.23 34.73 1xwn h LYS 34 CO -0.40 -0.71 -0.07 1.15 -3.45 0.00 0.00 179.45 175.97 1xwn h THR 35 N -1.29 1.28 -0.45 1.00 2.02 -1.31 -2.71 112.91 111.45 1xwn h THR 35 Ca -0.11 -1.13 0.07 0.00 0.77 0.00 0.00 66.41 66.01 1xwn h THR 35 Cb 0.84 1.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.49 1xwn h THR 35 CO 0.18 0.37 0.11 0.00 0.37 0.00 0.00 175.52 176.55 1xwn h LYS 37 N 0.25 0.13 -0.62 0.00 1.63 -0.97 -1.51 116.57 115.48 1xwn h LYS 37 Ca 0.22 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 60.01 1xwn h LYS 37 Cb 0.26 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.83 1xwn h LYS 37 CO -0.27 0.09 0.37 -0.97 -3.45 0.00 0.00 179.45 175.22 1xwn h ASN 38 N 0.14 0.75 0.42 4.20 -1.24 -1.08 0.97 115.58 119.74 1xwn h ASN 38 Ca 0.06 -0.07 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 1xwn h ASN 38 Cb 0.02 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 38.86 1xwn h ASN 38 CO -0.05 0.60 -0.34 0.15 -1.29 0.00 0.00 177.43 176.50 1xwn h PHE 39 N 0.85 -0.90 -0.42 0.67 3.04 -0.08 0.99 116.94 121.08 1xwn h PHE 39 Ca 0.22 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.15 1xwn h PHE 39 Cb -0.01 0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.82 1xwn h PHE 39 CO -0.02 -0.49 0.19 0.00 -2.02 0.00 0.00 178.31 175.97 1xwn h ALA 40 N -0.30 0.55 -0.46 2.41 0.00 -1.21 -2.46 119.26 117.80 1xwn h ALA 40 Ca -0.04 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1xwn h ALA 40 Cb 0.65 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1xwn h ALA 40 CO -0.01 0.13 0.22 0.93 0.00 0.00 0.00 179.25 180.52 1xwn h GLU 41 N 0.54 0.42 -0.69 0.00 5.08 -0.66 -1.28 114.58 117.99 1xwn h GLU 41 Ca 0.14 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1xwn h GLU 41 Cb 0.15 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1xwn h GLU 41 CO -0.02 0.28 0.46 1.25 -1.00 0.00 0.00 179.01 179.98 1xwn h LEU 42 N 0.44 0.79 -0.06 1.33 5.85 -0.64 0.12 115.31 123.13 1xwn h LEU 42 Ca 0.20 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.89 1xwn h LEU 42 Cb 0.12 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 40.96 1xwn h LEU 42 CO -0.15 0.57 -0.00 0.00 -0.34 0.00 0.00 178.44 178.51 1xwn h ALA 43 N 1.57 0.09 -0.32 1.25 0.00 -0.87 -1.67 119.26 119.31 1xwn h ALA 43 Ca 0.26 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1xwn h ALA 43 Cb -0.09 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1xwn h ALA 43 CO -0.06 -0.23 -0.12 0.00 0.00 0.00 0.00 179.25 178.84 1xwn h ARG 44 N -0.19 0.55 -0.54 0.00 3.08 -0.94 -2.80 114.38 113.54 1xwn h ARG 44 Ca 0.02 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 1xwn h ARG 44 Cb 0.36 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.33 1xwn h ARG 44 CO 0.00 0.67 0.15 -0.09 -1.07 0.00 0.00 179.97 179.64 1xwn h ARG 45 N 0.51 0.82 0.00 0.04 9.65 -0.68 -3.47 114.38 121.24 1xwn h ARG 45 Ca 0.09 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 1xwn h ARG 45 Cb 0.52 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.97 1xwn h ARG 45 CO 0.03 0.72 0.00 0.41 2.80 0.00 0.00 179.97 183.93 1xwn n GLY 46 N -0.91 0.96 0.55 2.80 0.00 -0.91 -5.06 105.19 102.62 1xwn n GLY 46 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 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 0.09 1.61 4.02 -0.68 -4.69 117.16 117.52 1xwn n TYR 47 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.90 57.85 1xwn n TYR 47 Cb 0.00 -0.33 0.16 0.00 -0.02 0.00 0.00 39.34 39.14 1xwn n TYR 47 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1xwn h TYR 48 N -0.25 0.26 -2.99 -0.72 0.05 -1.77 -3.39 116.97 108.16 1xwn h TYR 48 Ca -0.23 -0.09 -0.57 0.00 0.05 0.00 0.00 58.73 57.89 1xwn h TYR 48 Cb 1.23 -0.05 -0.04 0.00 1.01 0.00 0.00 36.73 38.88 1xwn h TYR 48 CO -0.02 0.71 1.11 -0.80 -1.05 0.00 0.00 178.16 178.11 1xwn s ASN 49 N -6.89 6.33 0.00 3.88 -0.87 -1.26 -2.69 114.94 113.44 1xwn s ASN 49 Ca -0.04 1.22 0.00 0.00 -1.57 0.00 0.00 52.86 52.47 1xwn s ASN 49 Cb 0.12 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.82 1xwn s ASN 49 CO 0.79 -1.37 0.00 0.61 -2.57 0.00 0.00 177.10 174.56 1xwn n GLY 50 N 4.88 1.98 3.54 0.66 0.00 -1.18 -4.99 105.19 110.09 1xwn n GLY 50 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1xwn n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xwn s THR 51 N -1.97 1.51 0.14 2.61 2.01 -1.09 -4.52 115.64 114.32 1xwn s THR 51 Ca 0.00 0.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.80 1xwn s THR 51 Cb 0.00 -2.43 0.05 0.00 0.01 0.00 0.00 72.50 70.14 1xwn s THR 51 CO 0.00 0.00 0.51 -1.59 -0.69 0.00 0.00 174.62 172.85 1xwn s LYS 52 N -5.39 1.17 0.05 4.92 0.00 -1.26 -0.16 119.74 119.07 1xwn s LYS 52 Ca 0.71 -0.56 -0.31 0.00 0.00 0.00 0.00 55.97 55.82 1xwn s LYS 52 Cb -0.10 0.53 -0.06 0.00 0.00 0.00 0.00 37.83 38.21 1xwn s LYS 52 CO 0.56 -0.48 1.21 -0.06 0.00 0.00 0.00 175.35 176.58 1xwn s PHE 53 N -3.67 3.41 -0.16 1.78 0.40 -1.26 -4.82 117.98 113.65 1xwn s PHE 53 Ca 0.01 1.28 0.05 0.00 -0.60 0.00 0.00 56.93 57.67 1xwn s PHE 53 Cb 0.00 -3.43 -0.13 0.00 0.51 0.00 0.00 43.02 39.97 1xwn s PHE 53 CO -0.12 -1.33 -0.08 -2.39 0.70 0.00 0.00 175.22 172.00 1xwn n HIS 54 N 4.04 0.00 -3.90 0.36 1.44 -1.26 -4.87 115.22 111.03 1xwn n HIS 54 Ca 0.09 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.45 1xwn n HIS 54 Cb 0.46 -0.67 -0.14 0.00 0.12 0.00 0.00 29.99 29.76 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 -2.34 3.31 -0.02 -1.40 1.81 -1.26 -4.75 118.95 114.29 1xwn s ARG 55 Ca -0.18 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 53.16 1xwn s ARG 55 Cb 0.05 -3.04 0.03 0.00 -0.45 0.00 0.00 34.95 31.54 1xwn s ARG 55 CO 0.45 -0.24 0.02 0.42 -0.68 0.00 0.00 175.30 175.28 1xwn s ILE 56 N 1.47 0.01 -0.20 1.52 1.01 -1.26 -2.87 121.20 120.87 1xwn s ILE 56 Ca 0.05 0.16 -0.02 0.00 0.00 0.00 0.00 60.65 60.85 1xwn s ILE 56 Cb -0.15 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.20 1xwn s ILE 56 CO -0.03 0.10 -0.10 -0.63 0.00 0.00 0.00 174.94 174.28 1xwn s ILE 57 N 0.97 2.90 0.37 2.92 1.01 -0.66 -4.82 121.20 123.88 1xwn s ILE 57 Ca -0.09 -0.66 -0.27 0.00 0.00 0.00 0.00 60.65 59.64 1xwn s ILE 57 Cb -0.12 -2.28 -0.09 0.00 0.01 0.00 0.00 42.46 39.97 1xwn s ILE 57 CO -0.02 0.47 1.19 -0.75 0.00 0.00 0.00 174.94 175.82 1xwn s LYS 58 N 1.35 4.21 -1.73 2.79 2.20 -1.25 -2.67 119.74 124.64 1xwn s LYS 58 Ca 0.05 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.58 1xwn s LYS 58 Cb -0.14 -2.85 0.00 0.00 -1.51 0.00 0.00 37.83 33.33 1xwn s LYS 58 CO -0.06 -0.21 0.00 -0.25 -0.36 0.00 0.00 175.35 174.47 1xwn n ASP 59 N 0.42 -5.74 0.00 1.43 8.00 -1.25 -4.78 116.55 114.62 1xwn n ASP 59 Ca 0.02 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1xwn n ASP 59 Cb 0.45 -4.77 0.00 0.00 -0.02 0.00 0.00 41.12 36.78 1xwn n ASP 59 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1xwn n PHE 60 N -3.98 0.00 -3.84 1.24 7.35 -1.19 -4.82 117.46 112.23 1xwn n PHE 60 Ca -0.24 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.38 1xwn n PHE 60 Cb 0.68 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.51 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 1.90 -0.09 -4.13 0.23 -1.09 -1.83 119.30 114.29 1xwn s MET 61 Ca 0.00 -1.12 -0.01 0.00 -1.03 0.00 0.00 55.69 53.53 1xwn s MET 61 Cb 0.00 0.60 0.03 0.00 -1.53 0.00 0.00 34.83 33.92 1xwn s MET 61 CO 0.00 -0.88 -0.03 0.42 -2.03 0.00 0.00 175.02 172.51 1xwn s ILE 62 N -3.27 0.62 -0.02 3.16 1.09 -0.14 -1.66 121.20 120.98 1xwn s ILE 62 Ca 0.13 -0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.65 1xwn s ILE 62 Cb -0.05 -0.72 -0.04 0.00 -1.06 0.00 0.00 42.46 40.59 1xwn s ILE 62 CO 0.08 0.30 0.02 0.00 -0.10 0.00 0.00 174.94 175.24 1xwn s GLN 63 N 1.88 2.90 -0.04 2.79 -2.07 -1.14 -0.08 119.66 123.89 1xwn s GLN 63 Ca 0.05 -0.54 -0.02 0.00 -1.82 0.00 0.00 55.36 53.04 1xwn s GLN 63 Cb -0.12 -2.74 0.03 0.00 -1.09 0.00 0.00 33.01 29.09 1xwn s GLN 63 CO -0.06 0.65 0.07 0.20 -1.32 0.00 0.00 175.29 174.82 1xwn s GLY 64 N -1.47 0.12 0.38 2.60 0.00 -0.44 -4.14 107.32 104.37 1xwn s GLY 64 Ca 0.19 0.34 -0.15 0.00 0.00 0.00 0.00 44.72 45.10 1xwn s GLY 64 CO 0.10 1.13 0.78 0.61 0.00 0.00 0.00 173.10 175.72 1xwn n GLY 65 N 4.78 0.99 2.40 0.20 0.00 -1.26 -2.61 105.19 109.69 1xwn n GLY 65 Ca -0.15 -1.25 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.51 -3.52 -3.14 1.61 2.03 -1.24 -4.91 116.55 105.87 1xwn n ASP 66 Ca -0.08 -0.37 -0.34 0.00 0.52 0.00 0.00 54.79 54.52 1xwn n ASP 66 Cb 0.58 -3.05 -0.05 0.00 -0.72 0.00 0.00 41.12 37.88 1xwn n ASP 66 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1xwn n PRO 67 N -2.55 3.36 0.00 -0.67 -0.04 -1.26 -4.30 135.00 129.54 1xwn n PRO 67 Ca -0.09 -1.99 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 1xwn n PRO 67 Cb 0.58 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 1xwn n PRO 67 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xwn n THR 68 N 3.50 0.00 -2.18 0.52 -2.24 -1.26 -4.42 114.28 108.20 1xwn n THR 68 Ca 0.72 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 62.31 1xwn n THR 68 Cb 0.30 -0.93 -0.03 0.00 -2.10 0.00 0.00 70.33 67.58 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 3.57 0.09 0.12 3.38 0.00 -1.26 -4.89 105.19 106.19 1xwn n GLY 69 Ca 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.76 1xwn n GLY 69 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xwn h THR 70 N 0.00 0.73 0.00 2.61 1.35 -1.96 -3.49 112.91 112.15 1xwn h THR 70 Ca -0.44 -2.49 0.00 0.00 -0.55 0.00 0.00 66.41 62.94 1xwn h THR 70 Cb 1.31 2.49 0.00 0.00 -1.73 0.00 0.00 68.15 70.22 1xwn h THR 70 CO 0.54 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 177.17 1xwn n GLY 71 N 1.83 2.98 0.25 5.82 0.00 -1.26 -4.89 105.19 109.92 1xwn n GLY 71 Ca -0.26 -0.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 1xwn n GLY 71 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1xwn h ARG 72 N 0.00 -0.58 -2.98 1.61 9.65 -2.01 -3.49 114.38 116.59 1xwn h ARG 72 Ca 0.00 0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.96 1xwn h ARG 72 Cb 0.00 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1xwn h ARG 72 CO 0.00 -0.38 0.26 0.20 2.80 0.00 0.00 179.97 182.84 1xwn s GLY 73 N -2.38 0.09 -0.20 2.80 0.00 -1.26 -5.15 107.32 101.22 1xwn s GLY 73 Ca -0.09 -0.47 -0.04 0.00 0.00 0.00 0.00 44.72 44.12 1xwn s GLY 73 CO 0.26 -0.14 0.09 -0.32 0.00 0.00 0.00 173.10 172.99 1xwn s GLY 74 N -2.99 0.45 -0.03 0.20 0.00 -1.26 -4.72 107.32 98.98 1xwn s GLY 74 Ca 0.13 -0.55 -0.05 0.00 0.00 0.00 0.00 44.72 44.24 1xwn s GLY 74 CO 0.09 1.74 0.13 0.00 0.00 0.00 0.00 173.10 175.06 1xwn s ALA 75 N 2.07 -0.30 0.94 3.20 0.00 -1.26 -4.89 121.76 121.52 1xwn s ALA 75 Ca 0.03 0.13 -0.15 0.00 0.00 0.00 0.00 51.96 51.97 1xwn s ALA 75 Cb -0.16 -0.08 0.17 0.00 0.00 0.00 0.00 23.12 23.05 1xwn s ALA 75 CO -0.15 -0.13 1.24 -1.54 0.00 0.00 0.00 175.76 175.19 1xwn s SER 76 N -0.58 3.28 0.47 0.00 1.04 -1.25 -4.95 113.70 111.71 1xwn s SER 76 Ca -0.07 0.52 0.13 0.00 0.48 0.00 0.00 55.95 57.01 1xwn s SER 76 Cb -0.04 -0.77 1.08 0.00 0.10 0.00 0.00 66.02 66.39 1xwn s SER 76 CO 0.01 -2.65 2.09 0.16 0.98 0.00 0.00 173.24 173.82 1xwn h ILE 77 N -1.58 1.06 0.00 -1.02 -0.00 -2.01 -3.29 117.51 110.68 1xwn h ILE 77 Ca -0.46 -0.19 -0.00 0.00 -0.00 0.00 0.00 64.86 64.22 1xwn h ILE 77 Cb 1.28 0.90 0.00 0.00 -0.00 0.00 0.00 36.82 39.00 1xwn h ILE 77 CO 0.48 0.07 -0.00 1.88 -0.00 0.00 0.00 178.15 180.58 1xwn h TYR 78 N 0.19 -0.00 -2.56 0.16 0.05 -1.99 -3.50 116.97 109.31 1xwn h TYR 78 Ca 0.05 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.86 1xwn h TYR 78 Cb 0.05 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 37.64 1xwn h TYR 78 CO 0.00 -0.00 0.33 0.20 -1.05 0.00 0.00 178.16 177.64 1xwn s GLY 79 N -2.07 -0.54 0.42 3.88 0.00 -1.24 -5.04 107.32 102.73 1xwn s GLY 79 Ca -0.00 0.85 0.08 0.00 0.00 0.00 0.00 44.72 45.65 1xwn s GLY 79 CO 0.00 0.35 2.05 0.07 0.00 0.00 0.00 173.10 175.57 1xwn h LYS 80 N 2.13 0.46 -3.21 2.90 -0.00 -1.90 -3.33 116.57 113.62 1xwn h LYS 80 Ca -0.28 -0.04 -0.17 0.00 -0.00 0.00 0.00 60.65 60.17 1xwn h LYS 80 Cb 1.26 -0.10 -0.25 0.00 -0.00 0.00 0.00 32.23 33.14 1xwn h LYS 80 CO 0.35 0.33 -0.45 1.14 -0.00 0.00 0.00 179.45 180.82 1xwn s GLN 81 N -5.36 0.29 0.29 0.07 -2.07 -1.26 -4.57 119.66 107.05 1xwn s GLN 81 Ca -0.08 0.25 -0.16 0.00 -1.82 0.00 0.00 55.36 53.55 1xwn s GLN 81 Cb 0.17 0.14 0.02 0.00 -1.09 0.00 0.00 33.01 32.25 1xwn s GLN 81 CO 0.73 -0.04 0.65 -0.59 -1.32 0.00 0.00 175.29 174.71 1xwn s PHE 82 N -0.02 0.11 1.33 9.60 -0.71 -1.24 -4.90 117.98 122.14 1xwn s PHE 82 Ca -0.01 -0.56 -0.22 0.00 -1.04 0.00 0.00 56.93 55.09 1xwn s PHE 82 Cb -0.02 0.53 0.33 0.00 -1.21 0.00 0.00 43.02 42.66 1xwn s PHE 82 CO 0.01 -1.22 1.03 -1.21 -1.34 0.00 0.00 175.22 172.48 1xwn s GLU 83 N -3.60 -2.22 0.59 1.99 2.02 -1.26 -2.51 118.70 113.72 1xwn s GLU 83 Ca 0.16 -0.06 0.09 0.00 0.02 0.00 0.00 54.97 55.19 1xwn s GLU 83 Cb -0.04 -1.48 0.09 0.00 0.10 0.00 0.00 34.13 32.80 1xwn s GLU 83 CO 0.09 -4.37 0.77 0.16 0.02 0.00 0.00 175.26 171.94 1xwn s ASP 84 N -3.64 4.97 -0.22 -0.19 1.47 -1.26 -4.82 116.67 112.98 1xwn s ASP 84 Ca 0.70 -0.96 0.16 0.00 1.18 0.00 0.00 52.55 53.63 1xwn s ASP 84 Cb -0.10 0.46 0.46 0.00 -0.34 0.00 0.00 42.92 43.40 1xwn s ASP 84 CO 0.56 -1.40 1.17 -0.62 0.68 0.00 0.00 175.17 175.56 1xwn n GLU 85 N -2.24 2.05 -1.69 2.11 1.02 -1.26 -5.10 120.64 115.53 1xwn n GLU 85 Ca 0.14 -3.44 -0.39 0.00 -0.02 0.00 0.00 57.16 53.46 1xwn n GLU 85 Cb 0.62 -1.57 0.04 0.00 -0.02 0.00 0.00 31.44 30.52 1xwn n GLU 85 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1xwn n LEU 86 N -0.54 4.64 -3.72 -4.62 4.77 -1.26 -4.67 117.00 111.59 1xwn n LEU 86 Ca 0.21 0.94 -0.14 0.00 -0.03 0.00 0.00 56.01 57.00 1xwn n LEU 86 Cb 0.90 -1.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.40 1xwn n LEU 86 CO 0.14 -1.05 0.11 -2.28 -1.33 0.00 0.00 177.39 172.98 1xwn s HIS 87 N -1.34 -0.36 -1.07 -1.77 2.46 -1.26 -5.07 115.29 106.87 1xwn s HIS 87 Ca 0.72 0.75 -0.17 0.00 0.47 0.00 0.00 55.06 56.82 1xwn s HIS 87 Cb -0.44 0.16 -0.07 0.00 -0.13 0.00 0.00 32.58 32.10 1xwn s HIS 87 CO 0.50 -0.35 2.11 -0.35 -2.47 0.00 0.00 174.74 174.18 1xwn n PRO 88 N 1.91 2.15 -3.80 2.88 -0.04 -1.26 -4.81 135.00 132.03 1xwn n PRO 88 Ca -0.18 -2.10 -0.04 0.00 -0.04 0.00 0.00 63.50 61.14 1xwn n PRO 88 Cb 0.57 -3.00 -0.00 0.00 -0.04 0.00 0.00 33.50 31.02 1xwn n PRO 88 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xwn s ASP 89 N 4.06 -0.12 0.36 3.54 1.01 -1.26 -5.16 116.67 119.09 1xwn s ASP 89 Ca 0.53 -0.58 0.00 0.00 0.71 0.00 0.00 52.55 53.21 1xwn s ASP 89 Cb 0.14 0.56 0.00 0.00 1.01 0.00 0.00 42.92 44.63 1xwn s ASP 89 CO 0.02 -1.07 0.00 0.18 0.21 0.00 0.00 175.17 174.52 1xwn n LEU 90 N -0.53 -0.67 -3.60 1.23 4.32 -1.26 -4.99 117.00 111.51 1xwn n LEU 90 Ca -0.05 1.51 -0.05 0.00 -0.02 0.00 0.00 56.01 57.39 1xwn n LEU 90 Cb 0.60 -3.67 -0.02 0.00 -1.62 0.00 0.00 43.42 38.72 1xwn n LEU 90 CO 0.17 -2.60 0.80 -1.59 -1.22 0.00 0.00 177.39 172.95 1xwn s LYS 91 N -2.74 0.76 -0.62 3.23 -2.85 -1.26 -5.00 119.74 111.26 1xwn s LYS 91 Ca 0.00 -0.34 0.02 0.00 -1.00 0.00 0.00 55.97 54.64 1xwn s LYS 91 Cb 0.00 0.31 0.16 0.00 -2.06 0.00 0.00 37.83 36.24 1xwn s LYS 91 CO 0.00 -0.34 0.41 -0.06 0.10 0.00 0.00 175.35 175.46 1xwn s PHE 92 N -2.94 3.39 0.04 1.78 0.40 -1.26 -4.84 117.98 114.55 1xwn s PHE 92 Ca 0.09 -3.05 0.00 0.00 -0.60 0.00 0.00 56.93 53.36 1xwn s PHE 92 Cb -0.00 -2.96 0.00 0.00 0.51 0.00 0.00 43.02 40.57 1xwn s PHE 92 CO -0.05 -0.74 0.00 0.25 0.70 0.00 0.00 175.22 175.39 1xwn n THR 93 N 2.94 0.18 1.67 0.64 -2.24 -1.26 0.08 114.28 116.29 1xwn n THR 93 Ca 0.10 0.06 0.06 0.00 -2.27 0.00 0.00 64.05 62.00 1xwn n THR 93 Cb 0.35 -1.12 0.25 0.00 -2.10 0.00 0.00 70.33 67.72 1xwn n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xwn n GLY 94 N 2.48 -0.50 7.00 3.38 0.00 -1.26 -2.85 105.19 113.44 1xwn n GLY 94 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.27 0.00 -3.44 4.61 0.00 -1.26 -4.93 120.51 115.22 1xwn n ALA 95 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.35 1xwn n ALA 95 Cb 0.13 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 -0.38 3.42 0.00 0.00 0.25 -4.96 105.19 103.52 1xwn n GLY 96 Ca 0.00 0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.34 2.31 -0.29 -0.61 -1.09 -1.22 -1.92 121.20 115.04 1xwn s ILE 97 Ca 0.14 -2.04 0.02 0.00 -2.23 0.00 0.00 60.65 56.54 1xwn s ILE 97 Cb -0.06 -2.11 0.08 0.00 -1.58 0.00 0.00 42.46 38.80 1xwn s ILE 97 CO 0.71 -0.14 0.01 -0.22 -1.23 0.00 0.00 174.94 174.07 1xwn s LEU 98 N -2.70 3.40 -0.03 2.97 2.96 -0.85 -2.59 118.68 121.83 1xwn s LEU 98 Ca 0.21 -1.67 0.05 0.00 -0.22 0.00 0.00 54.13 52.50 1xwn s LEU 98 Cb -0.08 -1.31 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 1xwn s LEU 98 CO 0.10 -0.33 -0.19 0.00 -1.32 0.00 0.00 176.35 174.61 1xwn s ALA 99 N 1.23 2.46 -0.20 5.97 0.00 -1.13 0.32 121.76 130.42 1xwn s ALA 99 Ca 0.04 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.66 1xwn s ALA 99 Cb -0.19 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1xwn s ALA 99 CO -0.11 0.55 1.05 1.41 0.00 0.00 0.00 175.76 178.66 1xwn s MET 100 N -0.71 4.29 0.45 0.00 1.75 0.25 -2.22 119.30 123.11 1xwn s MET 100 Ca 0.11 1.39 0.07 0.00 -1.25 0.00 0.00 55.69 56.01 1xwn s MET 100 Cb -0.10 -3.63 -0.02 0.00 2.84 0.00 0.00 34.83 33.92 1xwn s MET 100 CO 0.00 -0.57 0.29 0.00 -0.65 0.00 0.00 175.02 174.09 1xwn s ALA 101 N 2.99 3.95 0.02 4.11 0.00 -1.20 -2.68 121.76 128.94 1xwn s ALA 101 Ca 0.46 -1.80 -0.15 0.00 0.00 0.00 0.00 51.96 50.47 1xwn s ALA 101 Cb -0.16 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.33 1xwn s ALA 101 CO 0.09 -0.25 0.34 0.54 0.00 0.00 0.00 175.76 176.48 1xwn s ASN 102 N -4.06 -0.19 0.34 0.00 2.20 -1.26 -4.44 114.94 107.52 1xwn s ASN 102 Ca 0.41 -0.03 0.04 0.00 -0.94 0.00 0.00 52.86 52.33 1xwn s ASN 102 Cb 0.00 0.36 0.60 0.00 -2.00 0.00 0.00 41.25 40.21 1xwn s ASN 102 CO 0.23 -0.56 1.90 0.00 -2.94 0.00 0.00 177.10 175.73 1xwn h ALA 103 N 3.41 1.40 -2.95 3.54 0.00 -1.89 -3.46 119.26 119.30 1xwn h ALA 103 Ca -0.31 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1xwn h ALA 103 Cb 1.19 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1xwn h ALA 103 CO 0.43 0.43 0.08 0.20 0.00 0.00 0.00 179.25 180.39 1xwn s GLY 104 N -3.76 0.64 0.11 0.00 0.00 -1.22 -5.08 107.32 98.01 1xwn s GLY 104 Ca -0.08 -0.92 -0.31 0.00 0.00 0.00 0.00 44.72 43.41 1xwn s GLY 104 CO 0.77 -0.52 1.79 2.56 0.00 0.00 0.00 173.10 177.70 1xwn s PRO 105 N -3.02 4.15 -1.42 2.90 0.04 -1.26 -2.07 135.00 134.31 1xwn s PRO 105 Ca 0.20 2.53 -0.05 0.00 0.04 0.00 0.00 61.00 63.72 1xwn s PRO 105 Cb -0.03 -3.61 0.01 0.00 0.04 0.00 0.00 34.50 30.90 1xwn s PRO 105 CO 0.13 -0.82 0.72 -0.25 0.04 0.00 0.00 177.00 176.82 1xwn n ASP 106 N 5.72 -5.97 -3.23 6.66 9.92 -1.26 -4.96 116.55 123.43 1xwn n ASP 106 Ca 0.17 -0.33 -0.18 0.00 -0.53 0.00 0.00 54.79 53.92 1xwn n ASP 106 Cb 0.39 -4.73 -0.07 0.00 -0.64 0.00 0.00 41.12 36.07 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 -3.19 -0.21 0.50 -3.53 2.01 -0.88 -3.61 115.64 106.74 1xwn s THR 107 Ca 0.36 -1.70 0.02 0.00 0.31 0.00 0.00 61.69 60.68 1xwn s THR 107 Cb -0.16 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.62 1xwn s THR 107 CO 0.44 -0.72 0.72 0.20 -0.69 0.00 0.00 174.62 174.57 1xwn s ASN 108 N 0.71 5.46 -0.37 3.53 0.01 -1.24 -2.87 114.94 120.16 1xwn s ASN 108 Ca 0.27 -0.01 0.11 0.00 -0.71 0.00 0.00 52.86 52.52 1xwn s ASN 108 Cb -0.04 -0.99 0.40 0.00 0.41 0.00 0.00 41.25 41.03 1xwn s ASN 108 CO -0.10 -0.98 1.40 0.61 -1.51 0.00 0.00 177.10 176.52 1xwn n GLY 109 N -2.20 1.62 3.40 0.66 0.00 -1.26 -4.40 105.19 103.01 1xwn n GLY 109 Ca 0.06 -0.22 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.92 -5.22 -4.78 1.61 2.88 -1.26 -3.64 113.62 102.30 1xwn n SER 110 Ca -0.08 -0.46 -0.22 0.00 -1.33 0.00 0.00 58.87 56.78 1xwn n SER 110 Cb 0.86 -4.20 -0.05 0.00 -0.75 0.00 0.00 64.21 60.06 1xwn n SER 110 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1xwn s GLN 111 N -6.08 2.67 0.32 -1.46 0.74 -1.26 -3.94 119.66 110.64 1xwn s GLN 111 Ca 0.45 -1.25 -0.19 0.00 0.05 0.00 0.00 55.36 54.43 1xwn s GLN 111 Cb -0.22 -2.41 0.04 0.00 1.10 0.00 0.00 33.01 31.52 1xwn s GLN 111 CO 0.56 0.30 0.76 -0.59 -0.55 0.00 0.00 175.29 175.76 1xwn s PHE 112 N -2.25 -0.07 -0.12 1.67 -0.12 -1.07 -3.27 117.98 112.74 1xwn s PHE 112 Ca 0.35 -0.47 -0.07 0.00 -0.05 0.00 0.00 56.93 56.68 1xwn s PHE 112 Cb -0.06 0.76 0.05 0.00 -0.63 0.00 0.00 43.02 43.13 1xwn s PHE 112 CO 0.24 -1.35 0.30 -0.59 -0.05 0.00 0.00 175.22 173.77 1xwn s PHE 113 N -3.27 -0.40 -0.26 3.49 -0.71 -0.94 -1.33 117.98 114.56 1xwn s PHE 113 Ca 0.13 0.92 -0.09 0.00 -1.04 0.00 0.00 56.93 56.85 1xwn s PHE 113 Cb -0.05 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.84 1xwn s PHE 113 CO 0.09 -0.25 0.13 0.54 -1.34 0.00 0.00 175.22 174.39 1xwn s VAL 114 N 1.06 4.82 0.00 -2.49 0.11 0.89 -2.82 120.40 121.97 1xwn s VAL 114 Ca -0.07 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.68 1xwn s VAL 114 Cb -0.08 -3.27 -0.03 0.00 -1.53 0.00 0.00 36.38 31.47 1xwn s VAL 114 CO -0.08 0.30 1.00 0.42 -3.33 0.00 0.00 175.10 173.41 1xwn s THR 115 N 1.64 4.79 -0.48 5.04 -4.23 -1.07 -0.96 115.64 120.36 1xwn s THR 115 Ca 0.07 2.01 0.11 0.00 -1.18 0.00 0.00 61.69 62.69 1xwn s THR 115 Cb -0.15 -4.29 -0.12 0.00 1.34 0.00 0.00 72.50 69.28 1xwn s THR 115 CO 0.07 0.15 0.45 0.00 -0.54 0.00 0.00 174.62 174.75 1xwn n LEU 116 N 3.95 0.48 -4.21 4.79 -0.00 -0.76 0.85 117.00 122.11 1xwn n LEU 116 Ca 0.06 -0.46 -0.12 0.00 -0.00 0.00 0.00 56.01 55.49 1xwn n LEU 116 Cb 0.50 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.82 1xwn n LEU 116 CO 0.52 0.12 -0.32 0.00 -0.00 0.00 0.00 177.39 177.71 1xwn s ALA 117 N -2.09 1.17 -0.04 1.47 0.00 -1.18 -4.75 121.76 116.35 1xwn s ALA 117 Ca 0.04 -1.54 -0.30 0.00 0.00 0.00 0.00 51.96 50.16 1xwn s ALA 117 Cb 0.08 0.61 -0.06 0.00 0.00 0.00 0.00 23.12 23.75 1xwn s ALA 117 CO 0.45 -0.36 1.70 -1.25 0.00 0.00 0.00 175.76 176.30 1xwn s PRO 118 N -3.95 4.17 -0.26 0.00 0.04 -1.13 -4.42 135.00 129.45 1xwn s PRO 118 Ca 0.23 2.25 -0.03 0.00 0.04 0.00 0.00 61.00 63.49 1xwn s PRO 118 Cb 0.06 -4.01 0.09 0.00 0.04 0.00 0.00 34.50 30.68 1xwn s PRO 118 CO 0.02 -0.87 0.09 0.95 0.04 0.00 0.00 177.00 177.24 1xwn s THR 119 N 4.11 0.34 -0.08 1.26 -4.23 0.11 -4.95 115.64 112.20 1xwn s THR 119 Ca 0.76 -0.83 0.08 0.00 -1.18 0.00 0.00 61.69 60.51 1xwn s THR 119 Cb -0.35 -1.15 -0.24 0.00 1.34 0.00 0.00 72.50 72.11 1xwn s THR 119 CO 0.31 -0.55 0.53 0.00 -0.54 0.00 0.00 174.62 174.38 1xwn n GLN 120 N 5.09 0.67 -0.31 3.99 3.00 -1.26 -3.70 117.38 124.86 1xwn n GLN 120 Ca -0.06 0.27 -0.04 0.00 -0.01 0.00 0.00 57.00 57.17 1xwn n GLN 120 Cb 0.44 -1.75 0.08 0.00 0.00 0.00 0.00 30.24 29.01 1xwn n GLN 120 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.06 177.17 1xwn h TRP 121 N 0.02 1.07 -0.01 1.08 0.09 -1.94 -1.56 115.95 114.70 1xwn h TRP 121 Ca -0.34 0.02 0.00 0.00 0.09 0.00 0.00 58.89 58.66 1xwn h TRP 121 Cb 2.03 -0.36 0.00 0.00 0.08 0.00 0.00 29.16 30.91 1xwn h TRP 121 CO 0.02 0.68 0.00 1.47 0.09 0.00 0.00 178.44 180.70 1xwn n LEU 122 N -4.49 1.04 -4.57 0.11 -0.00 -1.26 -4.74 117.00 103.09 1xwn n LEU 122 Ca 0.09 -0.35 -0.26 0.00 -0.00 0.00 0.00 56.01 55.49 1xwn n LEU 122 Cb 0.02 -0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.37 1xwn n LEU 122 CO 0.36 0.18 1.41 -0.62 -0.00 0.00 0.00 177.39 178.72 1xwn s ASP 123 N -1.98 4.93 0.00 1.45 -1.08 -0.59 -2.23 116.67 117.17 1xwn s ASP 123 Ca 0.41 -1.21 0.00 0.00 -0.52 0.00 0.00 52.55 51.22 1xwn s ASP 123 Cb 0.21 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1xwn s ASP 123 CO 0.34 -3.10 0.00 0.61 0.52 0.00 0.00 175.17 173.54 1xwn n GLY 124 N 6.23 1.40 0.43 2.66 0.00 -1.26 -5.02 105.19 109.63 1xwn n GLY 124 Ca 0.43 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.99 -6.41 1.61 1.57 -1.75 -3.44 116.57 107.16 1xwn h LYS 125 Ca 0.00 0.07 -0.48 0.00 -1.87 0.00 0.00 60.65 58.37 1xwn h LYS 125 Cb 0.00 0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1xwn h LYS 125 CO 0.00 -0.66 -0.26 -1.01 -0.57 0.00 0.00 179.45 176.96 1xwn s HIS 126 N -6.01 3.49 0.39 -1.35 3.76 -1.26 -5.08 115.29 109.22 1xwn s HIS 126 Ca -0.18 0.28 0.00 0.00 -0.15 0.00 0.00 55.06 55.01 1xwn s HIS 126 Cb 0.03 -1.83 -0.02 0.00 1.11 0.00 0.00 32.58 31.87 1xwn s HIS 126 CO 0.61 0.22 0.60 -0.08 -0.85 0.00 0.00 174.74 175.24 1xwn s THR 127 N -2.19 4.77 0.72 1.30 -1.32 -1.09 -4.96 115.64 112.87 1xwn s THR 127 Ca 0.39 -0.43 -0.04 0.00 -1.21 0.00 0.00 61.69 60.40 1xwn s THR 127 Cb -0.10 -3.75 0.15 0.00 -1.51 0.00 0.00 72.50 67.29 1xwn s THR 127 CO 0.34 -0.52 0.98 -0.38 -2.21 0.00 0.00 174.62 172.83 1xwn n ILE 128 N -1.90 0.00 0.00 5.08 2.08 -1.26 0.88 119.36 124.24 1xwn n ILE 128 Ca -0.03 -1.28 0.00 0.00 0.56 0.00 0.00 62.75 62.01 1xwn n ILE 128 Cb 0.57 -1.11 0.00 0.00 -0.75 0.00 0.00 39.64 38.35 1xwn n ILE 128 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 1xwn n PHE 129 N -2.97 0.00 -4.21 1.39 -1.74 -0.91 -3.55 117.46 105.46 1xwn n PHE 129 Ca 0.15 0.00 -0.18 0.00 -0.56 0.00 0.00 57.45 56.86 1xwn n PHE 129 Cb 0.53 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.47 1xwn n PHE 129 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xwn n GLY 130 N -0.31 2.67 3.24 4.97 0.00 0.15 -3.30 105.19 112.61 1xwn n GLY 130 Ca 0.00 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.17 0.95 -0.19 1.61 3.00 0.69 -2.01 118.95 119.82 1xwn s ARG 131 Ca 0.36 -1.08 -0.01 0.00 -1.00 0.00 0.00 55.73 54.01 1xwn s ARG 131 Cb 0.01 0.34 0.01 0.00 0.00 0.00 0.00 34.95 35.31 1xwn s ARG 131 CO 0.26 -0.31 -0.14 0.08 0.00 0.00 0.00 175.30 175.19 1xwn s VAL 132 N -3.91 2.64 0.02 7.11 1.01 -0.81 0.21 120.40 126.66 1xwn s VAL 132 Ca 0.11 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1xwn s VAL 132 Cb 0.05 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.27 1xwn s VAL 132 CO -0.06 0.50 -0.05 0.00 0.00 0.00 0.00 175.10 175.48 1xwn s GLN 134 N -1.75 2.56 0.00 0.00 -0.21 -1.24 -4.51 119.66 114.50 1xwn s GLN 134 Ca -0.04 -2.45 0.00 0.00 0.02 0.00 0.00 55.36 52.89 1xwn s GLN 134 Cb 0.01 -3.75 0.00 0.00 1.00 0.00 0.00 33.01 30.27 1xwn s GLN 134 CO 0.06 -1.17 0.00 0.41 -2.12 0.00 0.00 175.29 172.47 1xwn n GLY 135 N 3.63 0.35 0.44 3.09 0.00 -1.26 0.80 105.19 112.23 1xwn n GLY 135 Ca 0.07 0.00 0.31 0.00 0.00 0.00 0.00 46.02 46.40 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 0.28 -0.83 -0.61 -0.00 -1.87 0.16 117.51 114.64 1xwn h ILE 136 Ca 0.00 -0.07 0.12 0.00 -0.00 0.00 0.00 64.86 64.91 1xwn h ILE 136 Cb 0.00 0.06 -0.08 0.00 -0.00 0.00 0.00 36.82 36.80 1xwn h ILE 136 CO 0.00 0.04 0.45 1.23 -0.00 0.00 0.00 178.15 179.87 1xwn h GLY 137 N 0.21 1.32 0.85 8.18 0.00 -1.95 -0.65 103.07 111.03 1xwn h GLY 137 Ca 0.73 -0.28 -0.16 0.00 0.00 0.00 0.00 47.33 47.61 1xwn h GLY 137 CO -0.38 0.05 -0.61 1.98 0.00 0.00 0.00 176.54 177.58 1xwn h MET 138 N 0.71 0.47 -0.82 4.80 1.85 -1.05 -3.23 114.93 117.65 1xwn h MET 138 Ca 0.43 -0.46 0.14 0.00 -0.61 0.00 0.00 59.70 59.19 1xwn h MET 138 Cb 0.50 0.12 -0.06 0.00 0.43 0.00 0.00 31.60 32.59 1xwn h MET 138 CO -0.30 1.11 0.54 0.28 -0.40 0.00 0.00 176.91 178.14 1xwn h VAL 139 N 0.00 0.84 -0.84 -5.77 2.07 -1.05 -0.20 116.25 111.29 1xwn h VAL 139 Ca -0.07 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1xwn h VAL 139 Cb 1.30 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 1xwn h VAL 139 CO 0.12 0.11 0.45 0.78 0.02 0.00 0.00 177.57 179.05 1xwn h ASN 140 N 0.59 1.06 -0.84 0.57 4.21 -1.15 -2.41 115.58 117.61 1xwn h ASN 140 Ca 0.40 -0.10 0.02 0.00 1.21 0.00 0.00 56.30 57.84 1xwn h ASN 140 Cb 0.73 -0.27 -0.04 0.00 -1.12 0.00 0.00 38.32 37.61 1xwn h ASN 140 CO -0.16 0.86 0.55 0.03 -1.29 0.00 0.00 177.43 177.42 1xwn h ARG 141 N 1.18 1.07 -0.29 0.81 3.08 -1.09 0.32 114.38 119.47 1xwn h ARG 141 Ca 0.30 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.34 1xwn h ARG 141 Cb 0.04 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1xwn h ARG 141 CO -0.05 0.71 0.20 0.28 -1.07 0.00 0.00 179.97 180.04 1xwn h VAL 142 N 1.10 0.93 0.09 2.04 2.07 -1.31 -2.35 116.25 118.81 1xwn h VAL 142 Ca 0.32 -0.05 -0.36 0.00 0.82 0.00 0.00 66.70 67.43 1xwn h VAL 142 Cb -0.07 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1xwn h VAL 142 CO -0.08 0.03 -2.05 0.61 0.02 0.00 0.00 177.57 176.09 1xwn n GLY 143 N -1.55 -0.59 0.39 2.17 0.00 -0.49 -4.23 105.19 100.89 1xwn n GLY 143 Ca 0.03 -0.24 0.18 0.00 0.00 0.00 0.00 46.02 45.99 1xwn n GLY 143 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xwn h MET 144 N 0.05 0.40 -7.10 1.61 -1.53 -0.04 -3.34 114.93 104.98 1xwn h MET 144 Ca -0.44 -0.02 -0.44 0.00 -3.44 0.00 0.00 59.70 55.36 1xwn h MET 144 Cb 2.02 -0.09 0.22 0.00 -0.55 0.00 0.00 31.60 33.20 1xwn h MET 144 CO 0.06 0.26 -0.06 1.33 0.14 0.00 0.00 176.91 178.64 1xwn n VAL 145 N -4.49 0.00 -4.06 -5.77 0.24 -0.92 -4.91 118.33 98.42 1xwn n VAL 145 Ca 0.17 -0.42 -0.32 0.00 -2.04 0.00 0.00 64.34 61.73 1xwn n VAL 145 Cb 0.63 -0.97 -0.06 0.00 -1.47 0.00 0.00 33.84 31.96 1xwn n VAL 145 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1xwn s GLU 146 N -4.35 3.03 0.40 7.34 2.56 -1.26 -4.68 118.70 121.73 1xwn s GLU 146 Ca 0.68 -0.57 0.04 0.00 0.00 0.00 0.00 54.97 55.12 1xwn s GLU 146 Cb -0.25 -2.82 -0.00 0.00 2.00 0.00 0.00 34.13 33.06 1xwn s GLU 146 CO 0.65 0.61 0.57 0.95 -0.56 0.00 0.00 175.26 177.48 1xwn s THR 147 N -1.32 3.92 0.03 -1.70 -4.23 -1.26 -3.24 115.64 107.84 1xwn s THR 147 Ca 0.27 -0.77 0.02 0.00 -1.18 0.00 0.00 61.69 60.03 1xwn s THR 147 Cb -0.12 -3.40 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1xwn s THR 147 CO 0.19 -0.21 -0.07 0.20 -0.54 0.00 0.00 174.62 174.19 1xwn s ASN 148 N -4.21 0.78 0.00 3.99 -0.87 0.86 -4.80 114.94 110.69 1xwn s ASN 148 Ca 0.47 -0.40 0.00 0.00 -1.57 0.00 0.00 52.86 51.36 1xwn s ASN 148 Cb -0.10 0.00 0.00 0.00 -0.02 0.00 0.00 41.25 41.13 1xwn s ASN 148 CO 0.34 -0.12 0.00 -0.24 -2.57 0.00 0.00 177.10 174.52 1xwn n SER 149 N 1.95 0.00 0.00 -1.22 2.88 -1.26 -2.20 113.62 113.77 1xwn n SER 149 Ca -0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.34 1xwn n SER 149 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 0.00 0.00 -1.49 -1.46 10.64 -1.26 -5.01 117.38 118.80 1xwn n GLN 150 Ca 0.00 0.00 -0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1xwn n GLN 150 Cb 0.00 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.40 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1xwn n ASP 151 N -0.65 -0.22 -4.61 2.61 5.68 -1.22 -5.03 116.55 113.11 1xwn n ASP 151 Ca 0.00 -1.04 -0.37 0.00 -0.50 0.00 0.00 54.79 52.88 1xwn n ASP 151 Cb 0.00 0.10 -0.10 0.00 -1.14 0.00 0.00 41.12 39.97 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 0.02 3.97 0.22 0.11 0.52 -0.93 -4.15 118.95 118.70 1xwn s ARG 152 Ca 0.01 -0.32 -0.31 0.00 -0.52 0.00 0.00 55.73 54.59 1xwn s ARG 152 Cb 0.06 -3.53 -0.11 0.00 0.52 0.00 0.00 34.95 31.90 1xwn s ARG 152 CO -0.02 -0.04 1.56 -1.25 0.02 0.00 0.00 175.30 175.57 1xwn s PRO 153 N 1.32 4.20 0.09 3.54 0.04 -1.26 -0.10 135.00 142.83 1xwn s PRO 153 Ca 0.07 2.42 -0.15 0.00 0.04 0.00 0.00 61.00 63.37 1xwn s PRO 153 Cb -0.14 -3.11 -0.10 0.00 0.04 0.00 0.00 34.50 31.19 1xwn s PRO 153 CO 0.06 -0.58 1.39 0.28 0.04 0.00 0.00 177.00 178.20 1xwn h VAL 154 N 3.74 1.31 -3.30 -0.36 2.07 -1.91 -3.42 116.25 114.37 1xwn h VAL 154 Ca -0.44 -1.50 -0.57 0.00 0.82 0.00 0.00 66.70 65.01 1xwn h VAL 154 Cb 1.21 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.59 1xwn h VAL 154 CO 0.86 0.47 0.90 -1.81 0.02 0.00 0.00 177.57 178.02 1xwn s ASP 155 N -6.55 6.79 -0.63 0.57 1.11 -1.26 -4.94 116.67 111.76 1xwn s ASP 155 Ca -0.12 1.03 -0.26 0.00 0.18 0.00 0.00 52.55 53.38 1xwn s ASP 155 Cb 0.08 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.45 1xwn s ASP 155 CO 0.83 -1.01 2.30 -1.81 1.18 0.00 0.00 175.17 176.66 1xwn s ASP 156 N 2.20 4.42 0.04 0.27 1.01 -1.26 -4.94 116.67 118.41 1xwn s ASP 156 Ca 0.50 0.53 -0.18 0.00 0.71 0.00 0.00 52.55 54.11 1xwn s ASP 156 Cb -0.13 -2.52 -0.06 0.00 1.01 0.00 0.00 42.92 41.21 1xwn s ASP 156 CO 0.21 -3.12 0.52 0.54 0.21 0.00 0.00 175.17 173.53 1xwn s VAL 157 N 12.45 4.84 0.06 -1.27 0.11 -1.26 -4.86 120.40 130.47 1xwn s VAL 157 Ca 0.90 1.11 -0.20 0.00 -2.93 0.00 0.00 61.98 60.86 1xwn s VAL 157 Cb -0.14 -3.85 0.04 0.00 -1.53 0.00 0.00 36.38 30.90 1xwn s VAL 157 CO 0.18 0.55 0.46 -1.59 -3.33 0.00 0.00 175.10 171.36 1xwn s LYS 158 N -1.00 1.00 0.05 1.54 -2.85 -1.26 -4.19 119.74 113.03 1xwn s LYS 158 Ca 0.28 -0.36 -0.06 0.00 -1.00 0.00 0.00 55.97 54.82 1xwn s LYS 158 Cb -0.19 0.45 -0.05 0.00 -2.06 0.00 0.00 37.83 35.98 1xwn s LYS 158 CO 0.17 -0.36 0.31 0.42 0.10 0.00 0.00 175.35 175.99 1xwn s ILE 159 N -2.69 5.24 -0.06 3.79 1.01 0.78 0.55 121.20 129.82 1xwn s ILE 159 Ca -0.04 0.16 -0.04 0.00 0.00 0.00 0.00 60.65 60.73 1xwn s ILE 159 Cb -0.00 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.84 1xwn s ILE 159 CO -0.04 0.28 -0.11 2.30 0.00 0.00 0.00 174.94 177.37 1xwn n ILE 160 N 0.84 0.64 -4.13 2.92 -5.35 -0.63 -3.12 119.36 110.53 1xwn n ILE 160 Ca -0.09 -0.02 -0.12 0.00 -0.27 0.00 0.00 62.75 62.25 1xwn n ILE 160 Cb 0.52 -1.66 -0.08 0.00 -1.74 0.00 0.00 39.64 36.69 1xwn n ILE 160 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1xwn s LYS 161 N -2.18 1.42 -0.29 6.28 1.02 0.15 -4.41 119.74 121.74 1xwn s LYS 161 Ca -0.11 -1.56 0.02 0.00 0.02 0.00 0.00 55.97 54.35 1xwn s LYS 161 Cb 0.04 0.35 0.19 0.00 -0.52 0.00 0.00 37.83 37.89 1xwn s LYS 161 CO 0.14 -0.53 0.58 0.00 -0.92 0.00 0.00 175.35 174.62 1xwn s ALA 162 N -3.95 -2.24 0.07 5.17 0.00 -1.26 -0.51 121.76 119.04 1xwn s ALA 162 Ca 0.33 1.37 0.02 0.00 0.00 0.00 0.00 51.96 53.68 1xwn s ALA 162 Cb 0.04 -2.33 -0.03 0.00 0.00 0.00 0.00 23.12 20.80 1xwn s ALA 162 CO 0.13 -1.58 -0.07 1.52 0.00 0.00 0.00 175.76 175.76 1xwn s TYR 163 N 2.82 0.76 0.83 0.00 1.13 -0.90 -4.74 117.35 117.24 1xwn s TYR 163 Ca 0.15 -0.70 -0.12 0.00 -1.41 0.00 0.00 57.07 54.99 1xwn s TYR 163 Cb -0.13 -0.45 0.11 0.00 -1.10 0.00 0.00 41.96 40.39 1xwn s TYR 163 CO -0.24 -0.12 1.19 -1.25 -2.51 0.00 0.00 175.55 172.62 1xwn s PRO 164 N -2.63 1.65 -0.17 -3.49 0.04 -1.26 -0.45 135.00 128.70 1xwn s PRO 164 Ca 0.00 -0.11 0.09 0.00 0.04 0.00 0.00 61.00 61.02 1xwn s PRO 164 Cb -0.03 -1.97 -0.23 0.00 0.04 0.00 0.00 34.50 32.32 1xwn s PRO 164 CO -0.02 -1.75 0.18 0.45 0.04 0.00 0.00 177.00 175.90 1xwn n SER 165 N -3.36 0.99 -0.83 6.66 2.88 -0.28 -4.55 113.62 115.13 1xwn n SER 165 Ca 0.10 0.10 0.10 0.00 -1.33 0.00 0.00 58.87 57.84 1xwn n SER 165 Cb 0.61 0.14 0.09 0.00 -0.75 0.00 0.00 64.21 64.29 1xwn n SER 165 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42