#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 3.47 -3.79 -5.12 0.00 -1.26 -5.00 120.51 108.81 1xwn n ALA 2 Ca 0.00 -4.27 -0.29 0.00 0.00 0.00 0.00 53.44 48.88 1xwn n ALA 2 Cb 0.00 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.76 2.80 -0.43 0.00 0.00 -1.26 -4.96 121.76 116.16 1xwn s ALA 3 Ca 0.35 -3.07 0.10 0.00 0.00 0.00 0.00 51.96 49.34 1xwn s ALA 3 Cb 0.10 -2.00 0.39 0.00 0.00 0.00 0.00 23.12 21.62 1xwn s ALA 3 CO -0.08 -2.05 0.94 1.51 0.00 0.00 0.00 175.76 176.08 1xwn n ILE 4 N 2.97 1.61 -0.19 0.00 3.06 -1.26 -4.96 119.36 120.59 1xwn n ILE 4 Ca 0.13 -4.53 -0.06 0.00 -2.50 0.00 0.00 62.75 55.78 1xwn n ILE 4 Cb 0.35 -0.57 -0.00 0.00 0.54 0.00 0.00 39.64 39.96 1xwn n ILE 4 CO 0.00 0.00 0.00 1.55 -2.50 0.00 0.00 176.55 175.60 1xwn h PRO 5 N 2.88 -0.18 0.00 9.51 0.13 -2.06 -3.42 132.00 138.86 1xwn h PRO 5 Ca 0.11 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.25 1xwn h PRO 5 Cb 0.90 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1xwn h PRO 5 CO 0.67 -0.12 0.00 -0.35 -0.23 0.00 0.00 178.00 177.98 1xwn n PRO 6 N -5.43 -0.85 -2.16 1.56 -0.04 -1.26 -4.88 135.00 121.94 1xwn n PRO 6 Ca 0.03 -0.03 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1xwn n PRO 6 Cb 0.35 -0.03 -0.02 0.00 -0.04 0.00 0.00 33.50 33.76 1xwn n PRO 6 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xwn n ASP 7 N -3.03 -2.30 -4.54 3.54 -0.08 -1.26 -5.09 116.55 103.79 1xwn n ASP 7 Ca 0.00 0.81 -0.27 0.00 -1.51 0.00 0.00 54.79 53.82 1xwn n ASP 7 Cb 0.01 -3.52 -0.10 0.00 2.34 0.00 0.00 41.12 39.85 1xwn n ASP 7 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1xwn s SER 8 N -0.56 3.42 -0.14 1.67 0.15 -1.26 -5.08 113.70 111.90 1xwn s SER 8 Ca -0.12 -1.49 0.19 0.00 0.70 0.00 0.00 55.95 55.23 1xwn s SER 8 Cb 0.01 0.06 0.39 0.00 -1.71 0.00 0.00 66.02 64.76 1xwn s SER 8 CO 0.47 -0.67 1.18 0.79 1.20 0.00 0.00 173.24 176.21 1xwn n TRP 9 N -0.97 0.13 0.22 3.44 5.03 -1.26 -4.78 117.44 119.25 1xwn n TRP 9 Ca -0.08 -1.24 -0.10 0.00 3.03 0.00 0.00 57.50 59.11 1xwn n TRP 9 Cb 0.67 0.17 -0.05 0.00 -1.03 0.00 0.00 31.31 31.07 1xwn n TRP 9 CO 0.00 0.00 0.00 1.96 -0.03 0.00 0.00 177.69 179.62 1xwn h GLN 10 N 1.40 -0.61 -6.33 -0.99 4.20 -1.98 -3.43 115.11 107.38 1xwn h GLN 10 Ca -0.28 0.04 -0.57 0.00 0.06 0.00 0.00 58.65 57.90 1xwn h GLN 10 Cb 1.52 0.14 -0.03 0.00 0.30 0.00 0.00 27.48 29.41 1xwn h GLN 10 CO 0.03 -0.40 1.14 -1.25 -0.67 0.00 0.00 178.83 177.67 1xwn s PRO 11 N -3.61 3.65 -0.88 1.46 0.04 -1.26 -4.91 135.00 129.49 1xwn s PRO 11 Ca -0.09 1.42 -0.07 0.00 0.04 0.00 0.00 61.00 62.30 1xwn s PRO 11 Cb 0.01 -4.06 -0.07 0.00 0.04 0.00 0.00 34.50 30.42 1xwn s PRO 11 CO 0.28 -1.47 3.00 -0.35 0.04 0.00 0.00 177.00 178.49 1xwn n PRO 12 N 7.90 3.17 -4.23 0.56 -0.04 -1.26 -4.80 135.00 136.30 1xwn n PRO 12 Ca 0.19 -2.15 -0.24 0.00 -0.04 0.00 0.00 63.50 61.25 1xwn n PRO 12 Cb 0.46 -2.41 -0.08 0.00 -0.04 0.00 0.00 33.50 31.43 1xwn n PRO 12 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1xwn s ASN 13 N 1.40 4.37 0.00 3.54 -0.87 -1.26 -2.15 114.94 119.97 1xwn s ASN 13 Ca 0.64 -0.96 0.05 0.00 -1.57 0.00 0.00 52.86 51.02 1xwn s ASN 13 Cb 0.26 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.25 40.90 1xwn s ASN 13 CO -0.08 -0.34 -0.16 -0.69 -2.57 0.00 0.00 177.10 173.26 1xwn s VAL 14 N -2.52 1.29 -0.68 1.60 1.01 -0.58 -2.40 120.40 118.13 1xwn s VAL 14 Ca 0.37 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.39 1xwn s VAL 14 Cb 0.00 -1.10 0.14 0.00 0.00 0.00 0.00 36.38 35.43 1xwn s VAL 14 CO 0.21 0.30 0.74 -0.31 0.00 0.00 0.00 175.10 176.04 1xwn s TYR 15 N -0.48 3.22 -0.83 5.22 2.02 0.81 -2.93 117.35 124.39 1xwn s TYR 15 Ca 0.06 -1.30 -0.22 0.00 -0.37 0.00 0.00 57.07 55.24 1xwn s TYR 15 Cb -0.07 -3.98 0.08 0.00 -0.40 0.00 0.00 41.96 37.60 1xwn s TYR 15 CO -0.00 -1.21 1.14 -0.51 -1.57 0.00 0.00 175.55 173.40 1xwn s LEU 16 N 1.96 4.33 -0.27 -1.29 1.43 -1.04 -2.36 118.68 121.45 1xwn s LEU 16 Ca 0.14 -1.38 -0.26 0.00 -1.03 0.00 0.00 54.13 51.60 1xwn s LEU 16 Cb -0.19 -2.45 0.00 0.00 0.03 0.00 0.00 46.19 43.58 1xwn s LEU 16 CO 0.00 -1.36 0.90 -0.70 0.23 0.00 0.00 176.35 175.42 1xwn s GLU 17 N 3.92 4.13 0.09 1.70 2.12 -0.07 -2.44 118.70 128.15 1xwn s GLU 17 Ca 0.31 0.97 0.02 0.00 0.36 0.00 0.00 54.97 56.64 1xwn s GLU 17 Cb -0.09 -3.68 -0.04 0.00 0.26 0.00 0.00 34.13 30.59 1xwn s GLU 17 CO 0.00 -0.64 -0.07 0.95 -0.54 0.00 0.00 175.26 174.96 1xwn s THR 18 N 3.07 0.73 0.34 -1.70 -4.23 -1.25 -1.65 115.64 110.96 1xwn s THR 18 Ca 0.38 -1.79 0.03 0.00 -1.18 0.00 0.00 61.69 59.13 1xwn s THR 18 Cb -0.14 -1.50 0.27 0.00 1.34 0.00 0.00 72.50 72.47 1xwn s THR 18 CO 0.09 -0.76 1.98 0.77 -0.54 0.00 0.00 174.62 176.17 1xwn h SER 19 N 3.24 0.75 0.03 3.99 4.64 -0.45 -1.47 113.55 124.29 1xwn h SER 19 Ca -0.36 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 60.87 1xwn h SER 19 Cb 1.17 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1xwn h SER 19 CO 0.60 0.52 -0.26 -0.03 -0.87 0.00 0.00 176.83 176.79 1xwn h MET 20 N 0.88 0.37 0.00 4.77 1.85 -1.80 -3.48 114.93 117.52 1xwn h MET 20 Ca 0.28 -0.13 0.00 0.00 -0.61 0.00 0.00 59.70 59.24 1xwn h MET 20 Cb 0.03 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.04 1xwn h MET 20 CO -0.08 0.61 0.00 0.41 -0.40 0.00 0.00 176.91 177.45 1xwn n GLY 21 N -0.44 4.12 3.69 1.39 0.00 -0.55 -5.09 105.19 108.31 1xwn n GLY 21 Ca -0.01 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.34 4.88 -0.02 -0.61 2.07 -1.26 -3.88 121.20 121.04 1xwn s ILE 22 Ca 0.00 1.81 0.04 0.00 -1.41 0.00 0.00 60.65 61.09 1xwn s ILE 22 Cb 0.00 -4.21 -0.01 0.00 0.13 0.00 0.00 42.46 38.37 1xwn s ILE 22 CO 0.00 0.09 -0.14 0.27 -1.91 0.00 0.00 174.94 173.25 1xwn s ILE 23 N 1.59 1.17 -0.16 2.00 -4.36 -1.02 -4.94 121.20 115.48 1xwn s ILE 23 Ca 0.44 -0.60 -0.09 0.00 -0.26 0.00 0.00 60.65 60.14 1xwn s ILE 23 Cb -0.18 -0.99 -0.04 0.00 1.25 0.00 0.00 42.46 42.49 1xwn s ILE 23 CO 0.19 0.34 0.14 -0.69 0.24 0.00 0.00 174.94 175.15 1xwn s VAL 24 N -0.12 5.46 0.03 8.37 1.01 -0.38 -2.51 120.40 132.26 1xwn s VAL 24 Ca 0.01 0.21 0.02 0.00 0.00 0.00 0.00 61.98 62.23 1xwn s VAL 24 Cb -0.08 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 1xwn s VAL 24 CO 0.00 0.54 -0.08 -1.48 0.00 0.00 0.00 175.10 174.08 1xwn s LEU 25 N -0.38 2.20 -0.13 3.92 2.34 -1.15 -3.52 118.68 121.96 1xwn s LEU 25 Ca 0.12 -0.44 -0.18 0.00 0.06 0.00 0.00 54.13 53.69 1xwn s LEU 25 Cb -0.12 -0.21 -0.04 0.00 -0.56 0.00 0.00 46.19 45.26 1xwn s LEU 25 CO 0.01 -0.13 0.46 -0.70 -1.06 0.00 0.00 176.35 174.94 1xwn s GLU 26 N -1.23 4.32 -0.16 1.48 -6.30 -0.51 -1.53 118.70 114.77 1xwn s GLU 26 Ca -0.07 0.41 -0.06 0.00 -2.50 0.00 0.00 54.97 52.76 1xwn s GLU 26 Cb -0.08 -3.45 -0.04 0.00 0.00 0.00 0.00 34.13 30.57 1xwn s GLU 26 CO 0.00 0.14 0.04 -0.51 0.02 0.00 0.00 175.26 174.96 1xwn s LEU 27 N 0.69 3.73 -0.70 2.70 2.01 -0.92 -1.85 118.68 124.34 1xwn s LEU 27 Ca 0.25 0.08 -0.27 0.00 0.01 0.00 0.00 54.13 54.20 1xwn s LEU 27 Cb -0.15 -1.92 0.01 0.00 0.01 0.00 0.00 46.19 44.14 1xwn s LEU 27 CO 0.10 0.22 1.51 -0.31 1.01 0.00 0.00 176.35 178.87 1xwn s TYR 28 N 0.10 2.05 -1.09 0.29 2.02 -1.21 -4.85 117.35 114.66 1xwn s TYR 28 Ca 0.04 0.25 0.02 0.00 -0.37 0.00 0.00 57.07 57.02 1xwn s TYR 28 Cb -0.12 -4.42 0.12 0.00 -0.40 0.00 0.00 41.96 37.13 1xwn s TYR 28 CO 0.01 -2.16 0.76 -2.67 -1.57 0.00 0.00 175.55 169.92 1xwn n TRP 29 N 10.69 0.29 -0.02 2.71 4.27 -1.26 -1.93 117.44 132.18 1xwn n TRP 29 Ca 0.11 -0.10 -0.02 0.00 -3.89 0.00 0.00 57.50 53.59 1xwn n TRP 29 Cb 0.50 -0.13 -0.01 0.00 -1.36 0.00 0.00 31.31 30.31 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 0.05 0.14 -0.00 -2.67 4.01 -1.26 -4.48 118.16 113.94 1xwn n LYS 30 Ca 0.04 0.06 0.10 0.00 -0.51 0.00 0.00 58.31 58.00 1xwn n LYS 30 Cb 0.34 -0.74 -0.13 0.00 -0.51 0.00 0.00 35.03 33.99 1xwn n LYS 30 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1xwn n HIS 31 N -3.02 0.00 0.79 2.13 8.25 -1.26 -4.39 115.22 117.71 1xwn n HIS 31 Ca -0.04 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.54 1xwn n HIS 31 Cb 0.14 -0.16 0.15 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.73 2.45 -0.45 -1.41 0.00 -0.81 -4.55 120.51 114.01 1xwn n ALA 32 Ca 0.01 -0.78 0.38 0.00 0.00 0.00 0.00 53.44 53.05 1xwn n ALA 32 Cb 0.39 -0.84 0.66 0.00 0.00 0.00 0.00 19.45 19.66 1xwn n ALA 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xwn h PRO 33 N 4.56 0.04 -0.35 0.00 0.11 -1.75 0.54 132.00 135.14 1xwn h PRO 33 Ca 0.00 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.15 1xwn h PRO 33 Cb 0.98 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 1xwn h PRO 33 CO 0.00 0.02 0.12 0.87 -0.21 0.00 0.00 178.00 178.80 1xwn h LYS 34 N 0.04 0.25 0.10 1.05 6.56 -1.92 0.16 116.57 122.82 1xwn h LYS 34 Ca 0.86 -0.02 -0.27 0.00 -1.06 0.00 0.00 60.65 60.16 1xwn h LYS 34 Cb 2.69 -0.06 0.01 0.00 -0.57 0.00 0.00 32.23 34.31 1xwn h LYS 34 CO -0.48 0.17 -1.18 1.79 -2.06 0.00 0.00 179.45 177.69 1xwn h THR 35 N 0.26 1.40 -0.32 -0.16 1.35 -0.39 -2.43 112.91 112.62 1xwn h THR 35 Ca 0.16 -2.72 0.03 0.00 -0.55 0.00 0.00 66.41 63.33 1xwn h THR 35 Cb 0.14 2.75 -0.03 0.00 -1.73 0.00 0.00 68.15 69.29 1xwn h THR 35 CO -0.17 0.81 0.14 0.00 -0.25 0.00 0.00 175.52 176.04 1xwn h LYS 37 N 0.29 0.68 0.30 0.00 1.63 -0.78 -2.54 116.57 116.16 1xwn h LYS 37 Ca 0.14 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.59 1xwn h LYS 37 Cb 0.08 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 1xwn h LYS 37 CO -0.11 0.94 -0.19 -0.97 -3.45 0.00 0.00 179.45 175.66 1xwn h ASN 38 N 0.43 -0.48 -0.90 4.20 -0.73 -1.08 -0.39 115.58 116.63 1xwn h ASN 38 Ca 0.06 0.03 0.11 0.00 1.87 0.00 0.00 56.30 58.37 1xwn h ASN 38 Cb 0.78 0.15 -0.08 0.00 0.27 0.00 0.00 38.32 39.44 1xwn h ASN 38 CO 0.06 -0.31 0.53 0.15 -0.37 0.00 0.00 177.43 177.50 1xwn h PHE 39 N -0.48 0.96 0.25 0.67 3.04 -0.18 0.29 116.94 121.50 1xwn h PHE 39 Ca -0.03 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 1xwn h PHE 39 Cb 0.40 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.62 1xwn h PHE 39 CO -0.10 0.38 -0.12 0.00 -2.02 0.00 0.00 178.31 176.45 1xwn h ALA 40 N 1.50 -0.34 -0.39 2.41 0.00 -1.12 -1.68 119.26 119.64 1xwn h ALA 40 Ca 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1xwn h ALA 40 Cb 0.44 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1xwn h ALA 40 CO -0.27 -0.58 0.19 0.93 0.00 0.00 0.00 179.25 179.52 1xwn h GLU 41 N -0.54 0.56 -0.64 0.00 4.39 -0.67 0.42 114.58 118.11 1xwn h GLU 41 Ca -0.03 -0.08 0.05 0.00 0.34 0.00 0.00 59.36 59.64 1xwn h GLU 41 Cb 0.40 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1xwn h GLU 41 CO 0.06 0.50 0.42 1.25 -1.16 0.00 0.00 179.01 180.08 1xwn h LEU 42 N 0.49 0.58 0.13 1.33 5.85 -0.43 0.22 115.31 123.48 1xwn h LEU 42 Ca 0.13 -0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.54 1xwn h LEU 42 Cb 0.12 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1xwn h LEU 42 CO -0.02 0.38 -1.56 0.00 -0.34 0.00 0.00 178.44 176.91 1xwn h ALA 43 N 1.65 0.24 -0.14 1.25 0.00 -0.92 -1.44 119.26 119.90 1xwn h ALA 43 Ca 0.27 -1.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.04 1xwn h ALA 43 Cb 0.22 0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1xwn h ALA 43 CO -0.08 1.10 -0.06 0.00 0.00 0.00 0.00 179.25 180.21 1xwn h ARG 44 N 0.08 0.28 -0.10 0.00 -0.00 0.31 -3.01 114.38 111.93 1xwn h ARG 44 Ca -0.26 -0.12 0.03 0.00 -0.50 0.00 0.00 59.98 59.13 1xwn h ARG 44 Cb 2.03 -0.01 -0.00 0.00 0.00 0.00 0.00 29.97 31.99 1xwn h ARG 44 CO 0.17 0.61 0.11 0.00 0.00 0.00 0.00 179.97 180.86 1xwn h ARG 45 N -0.06 0.00 0.00 0.04 3.08 -0.74 -3.45 114.38 113.25 1xwn h ARG 45 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1xwn h ARG 45 Cb 0.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.57 1xwn h ARG 45 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 1xwn n GLY 46 N -1.38 1.13 0.11 0.04 0.00 -1.14 -5.01 105.19 98.94 1xwn n GLY 46 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1xwn n GLY 46 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xwn h TYR 47 N 0.00 0.30 0.00 1.61 5.03 -1.54 -3.34 116.97 119.03 1xwn h TYR 47 Ca 0.00 -0.22 -0.09 0.00 2.58 0.00 0.00 58.73 61.00 1xwn h TYR 47 Cb 0.00 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 1xwn h TYR 47 CO 0.00 1.35 -0.44 -0.92 -1.32 0.00 0.00 178.16 176.83 1xwn h TYR 48 N 0.04 0.00 -0.99 -3.82 3.20 -1.56 -3.43 116.97 110.42 1xwn h TYR 48 Ca -0.29 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.31 1xwn h TYR 48 Cb 2.01 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 40.26 1xwn h TYR 48 CO 0.04 0.44 0.78 -0.80 -1.64 0.00 0.00 178.16 176.99 1xwn s ASN 49 N -6.43 4.64 0.00 -2.11 0.01 -1.26 -1.62 114.94 108.19 1xwn s ASN 49 Ca 0.02 0.05 0.00 0.00 -0.71 0.00 0.00 52.86 52.22 1xwn s ASN 49 Cb 0.09 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.21 1xwn s ASN 49 CO 0.71 -3.06 0.00 0.61 -1.51 0.00 0.00 177.10 173.85 1xwn n GLY 50 N 6.48 1.18 3.63 0.66 0.00 -1.11 -5.01 105.19 111.02 1xwn n GLY 50 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 1xwn n GLY 50 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xwn n THR 51 N 0.00 1.17 -4.22 2.61 -1.04 -0.64 -4.63 114.28 107.54 1xwn n THR 51 Ca 0.00 -0.16 -0.13 0.00 -2.04 0.00 0.00 64.05 61.72 1xwn n THR 51 Cb 0.00 -1.02 -0.10 0.00 -1.82 0.00 0.00 70.33 67.39 1xwn n THR 51 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1xwn s LYS 52 N -4.07 1.21 -1.05 -2.82 1.02 -1.26 -0.16 119.74 112.61 1xwn s LYS 52 Ca 0.69 -1.63 -0.12 0.00 0.02 0.00 0.00 55.97 54.92 1xwn s LYS 52 Cb -0.27 0.16 0.23 0.00 -0.52 0.00 0.00 37.83 37.43 1xwn s LYS 52 CO 0.56 -0.35 1.10 -0.06 -0.92 0.00 0.00 175.35 175.67 1xwn s PHE 53 N -4.07 3.89 0.09 3.18 0.40 -1.15 -4.44 117.98 115.88 1xwn s PHE 53 Ca 0.37 -2.29 -0.18 0.00 -0.60 0.00 0.00 56.93 54.23 1xwn s PHE 53 Cb 0.07 -3.98 -0.08 0.00 0.51 0.00 0.00 43.02 39.55 1xwn s PHE 53 CO 0.11 -1.10 1.50 1.12 0.70 0.00 0.00 175.22 177.55 1xwn h HIS 54 N 7.24 0.56 -3.85 0.36 2.07 -1.90 -3.42 115.15 116.21 1xwn h HIS 54 Ca 0.19 -0.11 -0.64 0.00 -2.85 0.00 0.00 60.37 56.96 1xwn h HIS 54 Cb 0.93 -0.14 -0.17 0.00 2.57 0.00 0.00 27.41 30.60 1xwn h HIS 54 CO 0.93 0.69 -0.50 1.03 -3.07 0.00 0.00 177.93 177.01 1xwn s ARG 55 N -4.85 3.97 -0.30 5.12 1.81 -1.26 -4.65 118.95 118.79 1xwn s ARG 55 Ca -0.13 -0.29 -0.01 0.00 -1.72 0.00 0.00 55.73 53.57 1xwn s ARG 55 Cb 0.08 -3.64 0.13 0.00 -0.45 0.00 0.00 34.95 31.07 1xwn s ARG 55 CO 0.76 -0.15 0.27 0.42 -0.68 0.00 0.00 175.30 175.92 1xwn s ILE 56 N 1.68 -0.31 -0.41 1.52 1.01 -1.26 -1.62 121.20 121.80 1xwn s ILE 56 Ca 0.07 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 1xwn s ILE 56 Cb -0.16 -0.96 0.06 0.00 0.01 0.00 0.00 42.46 41.41 1xwn s ILE 56 CO 0.10 -0.55 0.27 -0.63 0.00 0.00 0.00 174.94 174.13 1xwn s ILE 57 N 2.16 4.62 0.24 2.92 1.01 -0.44 -4.62 121.20 127.09 1xwn s ILE 57 Ca 0.10 -1.10 -0.05 0.00 0.00 0.00 0.00 60.65 59.60 1xwn s ILE 57 Cb -0.15 -3.71 0.17 0.00 0.01 0.00 0.00 42.46 38.79 1xwn s ILE 57 CO -0.29 -0.42 1.82 0.50 0.00 0.00 0.00 174.94 176.55 1xwn h LYS 58 N 8.50 1.11 -1.75 2.79 3.11 -1.87 -1.38 116.57 127.08 1xwn h LYS 58 Ca -0.25 -0.18 -0.21 0.00 -2.81 0.00 0.00 60.65 57.19 1xwn h LYS 58 Cb 1.10 -0.19 -0.09 0.00 -1.00 0.00 0.00 32.23 32.05 1xwn h LYS 58 CO 0.75 0.89 0.22 -0.25 -2.81 0.00 0.00 179.45 178.25 1xwn n ASP 59 N -4.29 6.00 0.00 4.20 9.92 -1.26 -4.63 116.55 126.49 1xwn n ASP 59 Ca 0.07 -2.81 0.00 0.00 -0.53 0.00 0.00 54.79 51.52 1xwn n ASP 59 Cb 0.17 -1.12 0.00 0.00 -0.64 0.00 0.00 41.12 39.53 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 0.92 0.00 -3.85 1.24 3.72 -1.13 -5.08 117.46 113.29 1xwn n PHE 60 Ca 0.22 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.54 1xwn n PHE 60 Cb 0.57 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.10 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 1.82 0.08 -1.08 0.23 -0.53 -3.21 119.30 116.61 1xwn s MET 61 Ca 0.00 -1.04 0.04 0.00 -1.03 0.00 0.00 55.69 53.66 1xwn s MET 61 Cb 0.00 0.60 -0.03 0.00 -1.53 0.00 0.00 34.83 33.87 1xwn s MET 61 CO 0.00 -0.84 -0.12 0.96 -2.03 0.00 0.00 175.02 172.99 1xwn s ILE 62 N -3.60 1.02 0.14 3.16 -4.36 -0.99 -1.33 121.20 115.24 1xwn s ILE 62 Ca 0.12 -1.39 0.02 0.00 -0.26 0.00 0.00 60.65 59.14 1xwn s ILE 62 Cb -0.06 -1.12 -0.04 0.00 1.25 0.00 0.00 42.46 42.49 1xwn s ILE 62 CO 0.07 -0.34 -0.05 0.00 0.24 0.00 0.00 174.94 174.87 1xwn s GLN 63 N -2.05 1.00 -0.26 0.37 -2.07 -0.64 0.89 119.66 116.91 1xwn s GLN 63 Ca -0.00 -1.45 -0.02 0.00 -1.82 0.00 0.00 55.36 52.07 1xwn s GLN 63 Cb -0.08 -0.34 0.14 0.00 -1.09 0.00 0.00 33.01 31.65 1xwn s GLN 63 CO 0.02 -0.04 0.42 0.20 -1.32 0.00 0.00 175.29 174.56 1xwn s GLY 64 N -3.13 -0.52 0.37 2.60 0.00 0.16 -3.99 107.32 102.80 1xwn s GLY 64 Ca 0.18 1.02 -0.14 0.00 0.00 0.00 0.00 44.72 45.78 1xwn s GLY 64 CO 0.00 2.81 0.74 0.61 0.00 0.00 0.00 173.10 177.26 1xwn n GLY 65 N 5.37 1.04 2.86 0.20 0.00 -1.26 -3.31 105.19 110.09 1xwn n GLY 65 Ca -0.03 -1.24 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 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 4.03 -4.77 1.61 9.92 0.56 -4.89 116.55 121.51 1xwn n ASP 66 Ca -0.08 -3.27 -0.38 0.00 -0.53 0.00 0.00 54.79 50.53 1xwn n ASP 66 Cb 0.55 -0.90 -0.06 0.00 -0.64 0.00 0.00 41.12 40.08 1xwn n ASP 66 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1xwn s PRO 67 N -1.86 4.55 -0.40 -0.24 0.04 -1.26 -4.12 135.00 131.71 1xwn s PRO 67 Ca 0.31 1.45 0.04 0.00 0.04 0.00 0.00 61.00 62.84 1xwn s PRO 67 Cb 0.01 -2.87 0.62 0.00 0.04 0.00 0.00 34.50 32.30 1xwn s PRO 67 CO -0.08 0.22 1.84 0.25 0.04 0.00 0.00 177.00 179.27 1xwn n THR 68 N 0.65 3.01 0.14 1.26 -2.24 -1.26 -3.24 114.28 112.60 1xwn n THR 68 Ca 0.02 -1.74 0.01 0.00 -2.27 0.00 0.00 64.05 60.06 1xwn n THR 68 Cb 0.49 -0.50 0.14 0.00 -2.10 0.00 0.00 70.33 68.35 1xwn n THR 68 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1xwn h GLY 69 N 1.38 0.00 0.00 3.38 0.00 -1.96 -3.35 103.07 102.52 1xwn h GLY 69 Ca 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.75 1xwn h GLY 69 CO 0.99 0.00 -1.53 -0.37 0.00 0.00 0.00 176.54 175.63 1xwn n THR 70 N -3.46 0.53 0.00 4.70 5.66 -1.26 -5.04 114.28 115.41 1xwn n THR 70 Ca 0.00 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 1xwn n THR 70 Cb 0.67 -0.79 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 1xwn n THR 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xwn n GLY 71 N 2.53 1.72 0.19 1.09 0.00 -1.26 -5.02 105.19 104.45 1xwn n GLY 71 Ca -0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.96 1xwn n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xwn n ARG 72 N -0.66 2.06 -4.29 1.61 0.00 -1.26 -5.03 116.66 109.09 1xwn n ARG 72 Ca 0.00 -2.29 -0.24 0.00 -0.00 0.00 0.00 57.85 55.32 1xwn n ARG 72 Cb 0.00 -1.39 -0.12 0.00 0.00 0.00 0.00 32.46 30.94 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 -2.13 1.25 0.51 5.14 0.00 -1.20 -4.89 107.32 106.00 1xwn s GLY 73 Ca 0.24 -1.26 0.02 0.00 0.00 0.00 0.00 44.72 43.72 1xwn s GLY 73 CO 0.04 -1.26 0.73 -0.32 0.00 0.00 0.00 173.10 172.28 1xwn s GLY 74 N -1.94 1.78 0.79 0.20 0.00 -1.26 -4.69 107.32 102.21 1xwn s GLY 74 Ca 0.07 -1.31 -0.07 0.00 0.00 0.00 0.00 44.72 43.40 1xwn s GLY 74 CO 0.04 -1.06 1.11 0.00 0.00 0.00 0.00 173.10 173.19 1xwn s ALA 75 N -2.67 3.06 0.23 3.20 0.00 -1.26 -4.86 121.76 119.45 1xwn s ALA 75 Ca 0.55 -1.32 0.06 0.00 0.00 0.00 0.00 51.96 51.25 1xwn s ALA 75 Cb -0.10 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.55 1xwn s ALA 75 CO 0.38 -1.73 0.22 0.45 0.00 0.00 0.00 175.76 175.07 1xwn s SER 76 N -4.72 5.70 0.56 0.00 0.15 -1.02 -5.00 113.70 109.38 1xwn s SER 76 Ca 0.67 -0.15 0.26 0.00 0.70 0.00 0.00 55.95 57.43 1xwn s SER 76 Cb -0.06 -1.52 1.55 0.00 -1.71 0.00 0.00 66.02 64.28 1xwn s SER 76 CO 0.47 -0.02 2.10 0.16 1.20 0.00 0.00 173.24 177.16 1xwn h ILE 77 N 1.56 0.63 0.07 6.45 -0.00 -1.97 -0.66 117.51 123.59 1xwn h ILE 77 Ca -0.49 0.00 -0.27 0.00 -0.00 0.00 0.00 64.86 64.11 1xwn h ILE 77 Cb 1.23 0.86 -0.02 0.00 -0.00 0.00 0.00 36.82 38.89 1xwn h ILE 77 CO 0.62 0.00 -1.30 1.88 -0.00 0.00 0.00 178.15 179.35 1xwn h TYR 78 N 0.00 0.28 0.00 0.16 0.05 -1.98 -3.50 116.97 111.97 1xwn h TYR 78 Ca 0.10 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.67 1xwn h TYR 78 Cb 0.46 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.19 1xwn h TYR 78 CO 0.00 1.19 0.00 0.41 -1.05 0.00 0.00 178.16 178.71 1xwn n GLY 79 N 1.52 0.58 0.00 3.88 0.00 -0.26 -5.00 105.19 105.92 1xwn n GLY 79 Ca -0.09 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1xwn n GLY 79 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1xwn n LYS 80 N 0.00 0.00 -4.35 1.61 3.00 -1.26 -2.44 118.16 114.72 1xwn n LYS 80 Ca 0.00 0.36 -0.18 0.00 -0.00 0.00 0.00 58.31 58.49 1xwn n LYS 80 Cb 0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 35.03 33.79 1xwn n LYS 80 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 1xwn s GLN 81 N -1.53 0.72 0.26 1.64 -1.52 -1.26 -4.64 119.66 113.33 1xwn s GLN 81 Ca 0.00 -0.36 0.04 0.00 -1.95 0.00 0.00 55.36 53.09 1xwn s GLN 81 Cb 0.00 -0.69 -0.06 0.00 -0.22 0.00 0.00 33.01 32.04 1xwn s GLN 81 CO 0.00 0.19 0.01 -0.59 -0.25 0.00 0.00 175.29 174.65 1xwn s PHE 82 N -0.29 1.70 -0.40 0.91 -0.71 -1.15 -4.89 117.98 113.16 1xwn s PHE 82 Ca 0.03 -0.93 -0.14 0.00 -1.04 0.00 0.00 56.93 54.85 1xwn s PHE 82 Cb -0.04 -1.02 0.02 0.00 -1.21 0.00 0.00 43.02 40.77 1xwn s PHE 82 CO -0.00 -0.02 0.27 -1.21 -1.34 0.00 0.00 175.22 172.93 1xwn s GLU 83 N -3.87 2.92 0.16 1.99 2.02 -1.24 -1.47 118.70 119.22 1xwn s GLU 83 Ca 0.31 -1.04 -0.23 0.00 0.02 0.00 0.00 54.97 54.03 1xwn s GLU 83 Cb 0.06 -3.91 0.08 0.00 0.10 0.00 0.00 34.13 30.46 1xwn s GLU 83 CO 0.11 -0.74 1.06 -0.51 0.02 0.00 0.00 175.26 175.20 1xwn s ASP 84 N 1.64 -0.01 0.47 -0.19 1.01 -1.26 -4.99 116.67 113.35 1xwn s ASP 84 Ca 0.04 -0.61 0.00 0.00 0.71 0.00 0.00 52.55 52.69 1xwn s ASP 84 Cb -0.19 0.46 0.00 0.00 1.01 0.00 0.00 42.92 44.20 1xwn s ASP 84 CO 0.09 -0.92 0.00 -0.62 0.21 0.00 0.00 175.17 173.93 1xwn n GLU 85 N -0.70 -2.82 -2.11 8.23 -0.58 -1.26 -4.61 120.64 116.79 1xwn n GLU 85 Ca -0.03 2.19 -0.02 0.00 -0.42 0.00 0.00 57.16 58.88 1xwn n GLU 85 Cb 0.59 -3.34 -0.01 0.00 -0.57 0.00 0.00 31.44 28.11 1xwn n GLU 85 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1xwn n LEU 86 N -4.08 -5.31 0.08 -4.62 0.00 -1.26 -4.85 117.00 96.95 1xwn n LEU 86 Ca -0.05 1.98 0.00 0.00 0.00 0.00 0.00 56.01 57.94 1xwn n LEU 86 Cb 0.60 -2.68 0.00 0.00 0.00 0.00 0.00 43.42 41.33 1xwn n LEU 86 CO 0.03 -2.47 0.00 1.41 0.00 0.00 0.00 177.39 176.36 1xwn n HIS 87 N 1.33 -3.07 -1.39 1.96 8.25 -1.26 -5.05 115.22 115.98 1xwn n HIS 87 Ca -0.11 0.58 -0.10 0.00 -0.26 0.00 0.00 57.72 57.82 1xwn n HIS 87 Cb 0.17 1.71 0.07 0.00 1.12 0.00 0.00 29.99 33.06 1xwn n HIS 87 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1xwn n PRO 88 N -3.00 -0.39 -3.61 -0.41 -0.04 -1.26 -5.04 135.00 121.25 1xwn n PRO 88 Ca 0.00 -0.73 -0.40 0.00 -0.04 0.00 0.00 63.50 62.34 1xwn n PRO 88 Cb 0.00 -0.46 -0.08 0.00 -0.04 0.00 0.00 33.50 32.92 1xwn n PRO 88 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1xwn s ASP 89 N -2.66 5.64 1.05 3.54 -1.08 -1.26 -5.08 116.67 116.81 1xwn s ASP 89 Ca 0.26 -2.34 -0.12 0.00 -0.52 0.00 0.00 52.55 49.84 1xwn s ASP 89 Cb -0.01 -1.96 0.16 0.00 -1.46 0.00 0.00 42.92 39.65 1xwn s ASP 89 CO 0.18 -0.55 0.82 0.18 0.52 0.00 0.00 175.17 176.31 1xwn n LEU 90 N 4.28 0.00 0.00 -1.34 7.99 -1.26 -5.05 117.00 121.62 1xwn n LEU 90 Ca 0.01 -0.89 0.00 0.00 -0.01 0.00 0.00 56.01 55.12 1xwn n LEU 90 Cb 0.41 -0.66 0.00 0.00 -0.11 0.00 0.00 43.42 43.06 1xwn n LEU 90 CO 0.37 -1.30 0.08 1.17 -1.51 0.00 0.00 177.39 176.20 1xwn n LYS 91 N -3.07 0.00 -3.06 3.23 0.00 -1.26 -5.03 118.16 108.98 1xwn n LYS 91 Ca 0.10 0.49 -0.01 0.00 0.00 0.00 0.00 58.31 58.90 1xwn n LYS 91 Cb 0.38 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.34 1xwn n LYS 91 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1xwn n PHE 92 N -1.97 -3.01 0.04 5.64 3.72 -1.26 -4.95 117.46 115.68 1xwn n PHE 92 Ca 0.00 1.15 -0.19 0.00 -0.05 0.00 0.00 57.45 58.37 1xwn n PHE 92 Cb 0.00 -4.10 -0.09 0.00 -0.94 0.00 0.00 39.48 34.35 1xwn n PHE 92 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 176.76 177.86 1xwn h THR 93 N 0.54 1.30 0.00 4.37 2.02 -1.94 -3.38 112.91 115.82 1xwn h THR 93 Ca -0.01 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1xwn h THR 93 Cb 1.01 2.36 0.00 0.00 -1.74 0.00 0.00 68.15 69.78 1xwn h THR 93 CO 0.30 0.70 0.00 0.61 0.37 0.00 0.00 175.52 177.49 1xwn n GLY 94 N 1.03 3.14 3.32 2.16 0.00 -1.26 -3.36 105.19 110.22 1xwn n GLY 94 Ca -0.10 -1.12 -0.46 0.00 0.00 0.00 0.00 46.02 44.34 1xwn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwn s ALA 95 N -0.00 3.63 0.00 4.61 0.00 -1.24 -1.50 121.76 127.25 1xwn s ALA 95 Ca 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 51.96 49.46 1xwn s ALA 95 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1xwn s ALA 95 CO 0.00 -2.04 0.00 0.41 0.00 0.00 0.00 175.76 174.13 1xwn n GLY 96 N 5.25 0.70 2.99 0.00 0.00 0.12 -4.94 105.19 109.30 1xwn n GLY 96 Ca -0.14 -0.40 -0.23 0.00 0.00 0.00 0.00 46.02 45.25 1xwn n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwn s ILE 97 N -2.32 0.94 -0.46 -0.61 -1.09 -1.03 -3.25 121.20 113.37 1xwn s ILE 97 Ca 0.00 -0.37 -0.13 0.00 -2.23 0.00 0.00 60.65 57.92 1xwn s ILE 97 Cb 0.00 -0.87 0.08 0.00 -1.58 0.00 0.00 42.46 40.09 1xwn s ILE 97 CO 0.00 0.31 0.35 -0.76 -1.23 0.00 0.00 174.94 173.61 1xwn s LEU 98 N 0.66 5.51 -0.04 2.97 1.43 -0.22 -1.21 118.68 127.78 1xwn s LEU 98 Ca -0.12 -1.47 0.01 0.00 -1.03 0.00 0.00 54.13 51.51 1xwn s LEU 98 Cb -0.15 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 43.94 1xwn s LEU 98 CO 0.02 -0.63 -0.02 0.00 0.23 0.00 0.00 176.35 175.95 1xwn s ALA 99 N 1.54 3.18 -0.14 4.21 0.00 -0.83 0.09 121.76 129.80 1xwn s ALA 99 Ca 0.04 -0.91 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 1xwn s ALA 99 Cb -0.24 -1.32 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 1xwn s ALA 99 CO 0.04 0.61 1.04 1.41 0.00 0.00 0.00 175.76 178.86 1xwn s MET 100 N -1.20 4.36 0.30 0.00 1.75 0.42 -2.16 119.30 122.77 1xwn s MET 100 Ca 0.16 1.41 -0.26 0.00 -1.25 0.00 0.00 55.69 55.75 1xwn s MET 100 Cb -0.11 -3.58 -0.10 0.00 2.84 0.00 0.00 34.83 33.88 1xwn s MET 100 CO 0.06 -0.44 0.92 0.00 -0.65 0.00 0.00 175.02 174.91 1xwn s ALA 101 N 2.45 3.24 -0.20 4.11 0.00 -1.21 -2.05 121.76 128.10 1xwn s ALA 101 Ca 0.48 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.78 1xwn s ALA 101 Cb -0.18 -3.15 0.06 0.00 0.00 0.00 0.00 23.12 19.85 1xwn s ALA 101 CO 0.14 0.19 0.52 0.54 0.00 0.00 0.00 175.76 177.15 1xwn s ASN 102 N -1.57 -0.59 0.39 0.00 2.20 -1.26 -4.44 114.94 109.67 1xwn s ASN 102 Ca 0.48 1.07 0.10 0.00 -0.94 0.00 0.00 52.86 53.58 1xwn s ASN 102 Cb -0.19 1.04 0.80 0.00 -2.00 0.00 0.00 41.25 40.89 1xwn s ASN 102 CO 0.24 -0.19 1.91 0.00 -2.94 0.00 0.00 177.10 176.12 1xwn h ALA 103 N 5.96 1.51 -2.98 3.54 0.00 -1.97 -3.47 119.26 121.85 1xwn h ALA 103 Ca -0.30 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 1xwn h ALA 103 Cb 1.18 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1xwn h ALA 103 CO 0.20 0.35 0.14 0.20 0.00 0.00 0.00 179.25 180.15 1xwn s GLY 104 N -4.10 0.73 0.34 0.00 0.00 -1.26 -5.12 107.32 97.90 1xwn s GLY 104 Ca -0.05 -1.00 -0.29 0.00 0.00 0.00 0.00 44.72 43.38 1xwn s GLY 104 CO 0.73 -0.52 1.37 2.56 0.00 0.00 0.00 173.10 177.24 1xwn s PRO 105 N -2.43 4.28 -1.29 2.90 0.04 -1.26 -3.13 135.00 134.11 1xwn s PRO 105 Ca 0.20 2.33 -0.05 0.00 0.04 0.00 0.00 61.00 63.52 1xwn s PRO 105 Cb -0.04 -3.04 0.01 0.00 0.04 0.00 0.00 34.50 31.47 1xwn s PRO 105 CO 0.14 -0.31 1.09 -0.25 0.04 0.00 0.00 177.00 177.72 1xwn n ASP 106 N 0.82 -4.23 -3.29 6.66 8.00 -1.26 -4.99 116.55 118.26 1xwn n ASP 106 Ca 0.01 -0.59 -0.19 0.00 0.71 0.00 0.00 54.79 54.74 1xwn n ASP 106 Cb 0.41 -5.05 -0.07 0.00 -0.02 0.00 0.00 41.12 36.38 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 -3.34 -0.21 0.12 -3.53 2.01 -1.08 -3.63 115.64 105.97 1xwn s THR 107 Ca 0.30 -1.50 0.04 0.00 0.31 0.00 0.00 61.69 60.85 1xwn s THR 107 Cb -0.13 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.58 1xwn s THR 107 CO 0.73 -0.71 0.08 0.20 -0.69 0.00 0.00 174.62 174.23 1xwn s ASN 108 N 0.94 5.38 0.00 3.53 0.01 -0.54 -4.17 114.94 120.09 1xwn s ASN 108 Ca 0.23 -0.11 0.00 0.00 -0.71 0.00 0.00 52.86 52.27 1xwn s ASN 108 Cb -0.09 -1.38 0.00 0.00 0.41 0.00 0.00 41.25 40.19 1xwn s ASN 108 CO -0.07 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.26 1xwn n GLY 109 N 0.14 5.53 2.86 0.66 0.00 -1.26 -2.92 105.19 110.20 1xwn n GLY 109 Ca -0.09 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 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 4.94 -3.73 1.61 7.64 -1.26 -5.02 113.62 117.80 1xwn n SER 110 Ca 0.00 -3.67 -0.14 0.00 1.01 0.00 0.00 58.87 56.07 1xwn n SER 110 Cb 0.00 -0.68 -0.09 0.00 -1.01 0.00 0.00 64.21 62.43 1xwn n SER 110 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xwn s GLN 111 N -3.54 0.62 0.10 1.43 0.74 -1.26 -0.33 119.66 117.43 1xwn s GLN 111 Ca 0.46 0.12 -0.12 0.00 0.05 0.00 0.00 55.36 55.87 1xwn s GLN 111 Cb 0.25 0.28 0.01 0.00 1.10 0.00 0.00 33.01 34.66 1xwn s GLN 111 CO -0.13 -0.15 0.28 -0.06 -0.55 0.00 0.00 175.29 174.69 1xwn s PHE 112 N -0.74 0.01 -0.03 1.67 0.40 -1.21 -3.28 117.98 114.80 1xwn s PHE 112 Ca -0.08 -0.39 0.02 0.00 -0.60 0.00 0.00 56.93 55.87 1xwn s PHE 112 Cb -0.04 0.07 0.01 0.00 0.51 0.00 0.00 43.02 43.57 1xwn s PHE 112 CO 0.03 -0.61 -0.05 -0.59 0.70 0.00 0.00 175.22 174.70 1xwn s PHE 113 N -3.84 0.67 -0.38 0.36 -0.71 -0.92 -0.67 117.98 112.50 1xwn s PHE 113 Ca 0.04 -0.16 -0.11 0.00 -1.04 0.00 0.00 56.93 55.66 1xwn s PHE 113 Cb 0.04 -0.53 0.03 0.00 -1.21 0.00 0.00 43.02 41.34 1xwn s PHE 113 CO -0.11 -0.11 0.22 0.08 -1.34 0.00 0.00 175.22 173.96 1xwn s VAL 114 N 0.43 4.64 0.18 -2.49 1.01 0.26 -1.97 120.40 122.46 1xwn s VAL 114 Ca -0.05 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 1xwn s VAL 114 Cb -0.09 -3.60 -0.08 0.00 0.00 0.00 0.00 36.38 32.61 1xwn s VAL 114 CO -0.00 -0.25 0.91 0.42 0.00 0.00 0.00 175.10 176.18 1xwn s THR 115 N 1.56 4.27 -0.04 3.92 -4.23 -0.35 -2.36 115.64 118.42 1xwn s THR 115 Ca 0.02 1.99 0.06 0.00 -1.18 0.00 0.00 61.69 62.59 1xwn s THR 115 Cb -0.19 -4.28 -0.09 0.00 1.34 0.00 0.00 72.50 69.28 1xwn s THR 115 CO 0.07 0.45 0.14 0.00 -0.54 0.00 0.00 174.62 174.74 1xwn n LEU 116 N 1.92 0.03 -4.70 4.79 -0.00 -0.56 0.10 117.00 118.59 1xwn n LEU 116 Ca -0.02 -0.05 -0.24 0.00 -0.00 0.00 0.00 56.01 55.70 1xwn n LEU 116 Cb 0.48 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.83 1xwn n LEU 116 CO 0.49 0.01 -0.29 0.00 -0.00 0.00 0.00 177.39 177.61 1xwn s ALA 117 N -2.31 3.29 -0.00 1.47 0.00 -0.69 -3.70 121.76 119.81 1xwn s ALA 117 Ca -0.02 -1.50 -0.39 0.00 0.00 0.00 0.00 51.96 50.06 1xwn s ALA 117 Cb 0.04 -0.99 -0.18 0.00 0.00 0.00 0.00 23.12 21.99 1xwn s ALA 117 CO 0.24 0.33 1.29 -2.30 0.00 0.00 0.00 175.76 175.32 1xwn n PRO 118 N -0.72 0.68 -1.66 0.00 -0.02 -1.26 -3.99 135.00 128.03 1xwn n PRO 118 Ca -0.08 0.25 -0.01 0.00 -2.02 0.00 0.00 63.50 61.64 1xwn n PRO 118 Cb 0.57 -1.83 0.07 0.00 -0.02 0.00 0.00 33.50 32.29 1xwn n PRO 118 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xwn n THR 119 N 2.39 1.23 -0.21 3.45 -2.24 -1.21 -4.84 114.28 112.84 1xwn n THR 119 Ca 0.20 -2.49 -0.02 0.00 -2.27 0.00 0.00 64.05 59.48 1xwn n THR 119 Cb 0.13 0.43 0.20 0.00 -2.10 0.00 0.00 70.33 68.99 1xwn n THR 119 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1xwn h GLN 120 N 1.54 0.99 0.00 -0.78 4.20 -1.79 -2.17 115.11 117.10 1xwn h GLN 120 Ca -0.06 -0.12 -0.16 0.00 0.06 0.00 0.00 58.65 58.37 1xwn h GLN 120 Cb 1.48 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 29.04 1xwn h GLN 120 CO 0.19 0.74 -0.76 0.11 -0.67 0.00 0.00 178.83 178.44 1xwn h TRP 121 N 0.99 0.00 0.00 2.96 0.09 -1.94 -3.18 115.95 114.87 1xwn h TRP 121 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.23 1xwn h TRP 121 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.30 1xwn h TRP 121 CO 0.01 0.76 0.00 1.28 0.09 0.00 0.00 178.44 180.58 1xwn n LEU 122 N -3.31 0.00 -4.57 0.11 4.77 -0.85 -4.63 117.00 108.51 1xwn n LEU 122 Ca 0.01 0.26 -0.22 0.00 -0.03 0.00 0.00 56.01 56.03 1xwn n LEU 122 Cb 0.83 -0.26 -0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1xwn n LEU 122 CO 0.44 -0.06 1.31 -0.62 -1.33 0.00 0.00 177.39 177.13 1xwn s ASP 123 N -2.52 4.47 0.00 -1.43 2.15 -1.00 -2.34 116.67 116.01 1xwn s ASP 123 Ca 0.24 -0.93 0.00 0.00 0.43 0.00 0.00 52.55 52.29 1xwn s ASP 123 Cb 0.16 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 1xwn s ASP 123 CO 0.35 -3.54 0.00 0.61 -0.17 0.00 0.00 175.17 172.42 1xwn n GLY 124 N 6.35 1.64 0.40 2.66 0.00 -1.26 -5.02 105.19 109.97 1xwn n GLY 124 Ca 0.43 -0.12 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.92 -6.02 1.61 6.56 -1.80 -3.45 116.57 112.56 1xwn h LYS 125 Ca 0.00 0.06 -0.55 0.00 -1.06 0.00 0.00 60.65 59.11 1xwn h LYS 125 Cb 0.00 0.21 -0.05 0.00 -0.57 0.00 0.00 32.23 31.82 1xwn h LYS 125 CO 0.00 -0.61 -0.37 -1.01 -2.06 0.00 0.00 179.45 175.40 1xwn s HIS 126 N -6.03 2.22 0.26 -1.35 3.76 -1.26 -4.91 115.29 107.97 1xwn s HIS 126 Ca -0.18 -0.66 0.07 0.00 -0.15 0.00 0.00 55.06 54.14 1xwn s HIS 126 Cb 0.04 -2.02 -0.04 0.00 1.11 0.00 0.00 32.58 31.67 1xwn s HIS 126 CO 0.62 -0.22 0.18 0.99 -0.85 0.00 0.00 174.74 175.46 1xwn s THR 127 N -2.63 4.31 0.84 1.30 2.01 -0.87 -4.94 115.64 115.65 1xwn s THR 127 Ca 0.41 -1.46 -0.07 0.00 0.31 0.00 0.00 61.69 60.88 1xwn s THR 127 Cb -0.01 -3.34 0.17 0.00 0.01 0.00 0.00 72.50 69.33 1xwn s THR 127 CO 0.24 -0.35 1.15 -0.51 -0.69 0.00 0.00 174.62 174.46 1xwn s ILE 128 N -2.16 2.03 0.00 1.82 2.07 -1.26 0.16 121.20 123.85 1xwn s ILE 128 Ca 0.33 -0.38 0.00 0.00 -1.41 0.00 0.00 60.65 59.19 1xwn s ILE 128 Cb -0.08 -2.65 0.00 0.00 0.13 0.00 0.00 42.46 39.86 1xwn s ILE 128 CO 0.24 0.00 0.00 2.22 -1.91 0.00 0.00 174.94 175.49 1xwn n PHE 129 N -3.25 -0.02 -4.01 3.50 1.16 -1.05 -3.48 117.46 110.31 1xwn n PHE 129 Ca 0.16 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.61 1xwn n PHE 129 Cb 0.60 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.46 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 -0.68 1.84 3.29 4.97 0.00 0.11 -3.30 105.19 111.42 1xwn n GLY 130 Ca 0.00 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.66 1.16 -0.26 1.61 3.52 -0.77 -1.05 118.95 120.50 1xwn s ARG 131 Ca 0.27 -1.38 0.01 0.00 -0.13 0.00 0.00 55.73 54.50 1xwn s ARG 131 Cb -0.02 0.33 0.07 0.00 -1.56 0.00 0.00 34.95 33.77 1xwn s ARG 131 CO 0.19 -0.40 -0.02 0.14 -0.81 0.00 0.00 175.30 174.40 1xwn s VAL 132 N -4.05 1.62 -0.12 7.11 -7.23 -1.20 -1.42 120.40 115.11 1xwn s VAL 132 Ca 0.26 -1.45 -0.16 0.00 -1.81 0.00 0.00 61.98 58.82 1xwn s VAL 132 Cb 0.05 -1.96 -0.26 0.00 0.56 0.00 0.00 36.38 34.77 1xwn s VAL 132 CO 0.05 -0.24 0.51 0.00 -0.31 0.00 0.00 175.10 175.10 1xwn s GLN 134 N -2.47 1.09 0.00 0.00 -2.07 -1.23 -4.80 119.66 110.18 1xwn s GLN 134 Ca -0.21 -1.79 0.00 0.00 -1.82 0.00 0.00 55.36 51.54 1xwn s GLN 134 Cb 0.05 -2.09 0.00 0.00 -1.09 0.00 0.00 33.01 29.88 1xwn s GLN 134 CO 0.75 -1.16 0.00 0.41 -1.32 0.00 0.00 175.29 173.97 1xwn n GLY 135 N 3.74 0.21 0.45 2.60 0.00 -1.26 -1.25 105.19 109.68 1xwn n GLY 135 Ca 0.09 0.00 0.32 0.00 0.00 0.00 0.00 46.02 46.43 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 0.25 -0.93 -0.61 2.10 -1.87 0.21 117.51 116.66 1xwn h ILE 136 Ca 0.00 -0.06 0.11 0.00 1.08 0.00 0.00 64.86 65.99 1xwn h ILE 136 Cb 0.00 0.05 -0.08 0.00 -1.09 0.00 0.00 36.82 35.70 1xwn h ILE 136 CO 0.00 0.03 0.56 1.23 -1.08 0.00 0.00 178.15 178.90 1xwn h GLY 137 N 0.18 1.49 1.42 8.18 0.00 -1.96 0.32 103.07 112.69 1xwn h GLY 137 Ca 0.75 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 47.57 1xwn h GLY 137 CO -0.38 0.15 -0.32 1.98 0.00 0.00 0.00 176.54 177.97 1xwn h MET 138 N 0.91 0.65 -0.08 4.80 1.85 -1.00 -1.27 114.93 120.80 1xwn h MET 138 Ca 0.45 -0.29 -0.19 0.00 -0.61 0.00 0.00 59.70 59.06 1xwn h MET 138 Cb 0.43 -0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.44 1xwn h MET 138 CO -0.26 0.88 -0.75 0.28 -0.40 0.00 0.00 176.91 176.67 1xwn h VAL 139 N 0.55 1.37 -0.22 -5.77 2.07 -1.14 -3.09 116.25 110.02 1xwn h VAL 139 Ca 0.06 -2.15 -0.20 0.00 0.82 0.00 0.00 66.70 65.24 1xwn h VAL 139 Cb 0.82 2.12 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 1xwn h VAL 139 CO 0.07 0.65 -0.64 0.78 0.02 0.00 0.00 177.57 178.44 1xwn h ASN 140 N 0.29 0.92 -0.04 0.57 4.21 -0.31 -3.16 115.58 118.07 1xwn h ASN 140 Ca -0.04 -0.54 -0.03 0.00 1.21 0.00 0.00 56.30 56.91 1xwn h ASN 140 Cb 1.33 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 38.25 1xwn h ASN 140 CO 0.13 1.33 -0.04 0.08 -1.29 0.00 0.00 177.43 177.64 1xwn h ARG 141 N 0.59 0.21 -0.41 0.81 0.11 -1.26 -2.22 114.38 112.20 1xwn h ARG 141 Ca -0.01 -0.03 0.10 0.00 0.10 0.00 0.00 59.98 60.13 1xwn h ARG 141 Cb 1.25 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.28 1xwn h ARG 141 CO 0.14 0.27 0.29 0.28 0.10 0.00 0.00 179.97 181.04 1xwn h VAL 142 N 0.21 0.85 0.00 0.08 2.07 -1.49 -0.71 116.25 117.25 1xwn h VAL 142 Ca 0.05 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 1xwn h VAL 142 Cb 0.21 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1xwn h VAL 142 CO 0.01 0.02 -1.01 1.23 0.02 0.00 0.00 177.57 177.84 1xwn h GLY 143 N 0.11 0.00 1.45 2.17 0.00 -1.54 -3.33 103.07 101.94 1xwn h GLY 143 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1xwn h GLY 143 CO -0.02 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.55 1xwn n MET 144 N -2.87 0.46 -1.21 4.80 2.00 -0.29 -3.45 117.12 116.56 1xwn n MET 144 Ca -0.03 0.04 -0.25 0.00 0.00 0.00 0.00 57.70 57.45 1xwn n MET 144 Cb 0.69 -1.50 0.15 0.00 0.00 0.00 0.00 33.22 32.56 1xwn n MET 144 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 1xwn n VAL 145 N -1.23 3.22 -1.13 2.03 0.24 -1.13 -5.05 118.33 115.29 1xwn n VAL 145 Ca 0.14 -2.06 0.14 0.00 -2.04 0.00 0.00 64.34 60.52 1xwn n VAL 145 Cb 0.18 -0.63 -0.05 0.00 -1.47 0.00 0.00 33.84 31.86 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 -1.04 -2.44 -3.98 7.34 2.13 -1.22 -4.24 120.64 117.18 1xwn n GLU 146 Ca 0.58 1.83 -0.11 0.00 0.66 0.00 0.00 57.16 60.12 1xwn n GLU 146 Cb 1.43 -2.91 -0.03 0.00 0.27 0.00 0.00 31.44 30.20 1xwn n GLU 146 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1xwn s THR 147 N -2.99 0.00 0.47 6.31 -4.23 -1.26 -3.62 115.64 110.32 1xwn s THR 147 Ca 0.00 -1.37 -0.08 0.00 -1.18 0.00 0.00 61.69 59.06 1xwn s THR 147 Cb 0.00 -2.55 0.11 0.00 1.34 0.00 0.00 72.50 71.40 1xwn s THR 147 CO 0.00 0.00 0.64 0.59 -0.54 0.00 0.00 174.62 175.31 1xwn n ASN 148 N -1.09 0.04 -1.78 3.99 3.02 -0.54 -4.90 115.26 114.00 1xwn n ASN 148 Ca -0.02 -1.23 -0.15 0.00 -0.03 0.00 0.00 54.58 53.15 1xwn n ASN 148 Cb 0.61 -0.49 0.05 0.00 -0.61 0.00 0.00 39.78 39.34 1xwn n ASN 148 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xwn n SER 149 N -3.42 5.40 0.00 6.41 3.41 -1.26 -4.51 113.62 119.65 1xwn n SER 149 Ca 0.08 -2.96 0.00 0.00 -0.26 0.00 0.00 58.87 55.73 1xwn n SER 149 Cb 0.28 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1xwn n SER 149 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwn n GLN 150 N 0.14 0.00 -2.68 4.33 1.13 -1.26 -5.08 117.38 113.97 1xwn n GLN 150 Ca 0.29 0.00 -0.05 0.00 -1.94 0.00 0.00 57.00 55.30 1xwn n GLN 150 Cb 0.74 0.00 0.07 0.00 0.11 0.00 0.00 30.24 31.16 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 -1.86 -1.56 -3.28 1.08 5.68 -1.26 -5.02 116.55 110.33 1xwn n ASP 151 Ca 0.00 -2.02 -0.07 0.00 -0.50 0.00 0.00 54.79 52.20 1xwn n ASP 151 Cb 0.00 0.89 -0.05 0.00 -1.14 0.00 0.00 41.12 40.82 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1xwn s ARG 152 N 0.22 0.45 0.75 0.11 6.06 -1.26 -4.54 118.95 120.73 1xwn s ARG 152 Ca 0.27 0.17 -0.15 0.00 -2.50 0.00 0.00 55.73 53.52 1xwn s ARG 152 Cb 0.21 -0.22 -0.01 0.00 0.06 0.00 0.00 34.95 34.99 1xwn s ARG 152 CO -0.11 -1.04 0.70 -2.30 -2.50 0.00 0.00 175.30 170.05 1xwn n PRO 153 N 5.33 0.29 0.08 5.12 -0.02 -1.26 -1.47 135.00 143.07 1xwn n PRO 153 Ca 0.02 0.15 -0.11 0.00 -2.02 0.00 0.00 63.50 61.54 1xwn n PRO 153 Cb 0.50 -2.00 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1xwn n PRO 153 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xwn h VAL 154 N -0.50 1.46 -2.34 -1.45 2.07 -1.74 -3.46 116.25 110.29 1xwn h VAL 154 Ca -0.46 -2.57 -0.03 0.00 0.82 0.00 0.00 66.70 64.46 1xwn h VAL 154 Cb 1.33 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 33.58 1xwn h VAL 154 CO 0.43 0.76 0.02 -0.67 0.02 0.00 0.00 177.57 178.13 1xwn n ASP 155 N -3.69 0.02 -3.90 0.57 -0.08 -1.26 -5.08 116.55 103.13 1xwn n ASP 155 Ca -0.05 -1.04 -0.30 0.00 -1.51 0.00 0.00 54.79 51.89 1xwn n ASP 155 Cb 0.83 -0.06 -0.16 0.00 2.34 0.00 0.00 41.12 44.07 1xwn n ASP 155 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1xwn s ASP 156 N -1.31 3.56 -0.23 1.67 -4.77 -1.26 -5.11 116.67 109.21 1xwn s ASP 156 Ca 0.05 -1.04 -0.06 0.00 -3.30 0.00 0.00 52.55 48.20 1xwn s ASP 156 Cb -0.00 -1.05 -0.02 0.00 -1.09 0.00 0.00 42.92 40.75 1xwn s ASP 156 CO 0.03 -0.24 0.02 -0.69 0.70 0.00 0.00 175.17 175.00 1xwn s VAL 157 N 1.50 3.93 0.02 2.11 1.01 -1.26 -4.52 120.40 123.19 1xwn s VAL 157 Ca -0.04 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.56 1xwn s VAL 157 Cb -0.18 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 1xwn s VAL 157 CO -0.07 0.39 0.15 -1.59 0.00 0.00 0.00 175.10 173.98 1xwn s LYS 158 N 1.44 0.58 -0.01 2.72 -2.85 -1.26 -2.94 119.74 117.42 1xwn s LYS 158 Ca 0.05 -0.55 -0.15 0.00 -1.00 0.00 0.00 55.97 54.32 1xwn s LYS 158 Cb -0.15 0.24 -0.06 0.00 -2.06 0.00 0.00 37.83 35.81 1xwn s LYS 158 CO 0.01 -0.15 0.41 0.42 0.10 0.00 0.00 175.35 176.14 1xwn s ILE 159 N -2.05 5.04 -0.12 3.79 1.01 0.78 0.33 121.20 129.98 1xwn s ILE 159 Ca -0.09 0.85 0.05 0.00 0.00 0.00 0.00 60.65 61.45 1xwn s ILE 159 Cb -0.04 -3.72 -0.11 0.00 0.01 0.00 0.00 42.46 38.61 1xwn s ILE 159 CO -0.01 0.56 -0.05 2.30 0.00 0.00 0.00 174.94 177.73 1xwn n ILE 160 N 2.00 0.74 -3.60 2.92 -5.35 -0.93 -2.74 119.36 112.40 1xwn n ILE 160 Ca -0.13 -0.36 -0.10 0.00 -0.27 0.00 0.00 62.75 61.89 1xwn n ILE 160 Cb 0.52 -0.86 -0.06 0.00 -1.74 0.00 0.00 39.64 37.50 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 -2.26 0.56 -0.14 6.28 -2.85 -0.66 -4.64 119.74 116.03 1xwn s LYS 161 Ca -0.12 0.29 -0.01 0.00 -1.00 0.00 0.00 55.97 55.13 1xwn s LYS 161 Cb 0.04 0.27 0.04 0.00 -2.06 0.00 0.00 37.83 36.12 1xwn s LYS 161 CO 0.36 -0.14 -0.02 0.00 0.10 0.00 0.00 175.35 175.65 1xwn s ALA 162 N -0.66 1.14 0.10 0.59 0.00 -1.26 -0.89 121.76 120.77 1xwn s ALA 162 Ca -0.00 -0.57 0.03 0.00 0.00 0.00 0.00 51.96 51.42 1xwn s ALA 162 Cb -0.02 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 1xwn s ALA 162 CO -0.01 -0.74 -0.09 1.52 0.00 0.00 0.00 175.76 176.43 1xwn s TYR 163 N 1.79 1.03 0.83 0.00 1.13 -0.99 -4.59 117.35 116.54 1xwn s TYR 163 Ca 0.02 -0.70 -0.12 0.00 -1.41 0.00 0.00 57.07 54.86 1xwn s TYR 163 Cb -0.15 -0.56 0.10 0.00 -1.10 0.00 0.00 41.96 40.25 1xwn s TYR 163 CO -0.07 -0.02 1.19 -1.25 -2.51 0.00 0.00 175.55 172.89 1xwn s PRO 164 N -2.97 1.75 -0.87 -3.49 0.04 -1.26 -0.13 135.00 128.06 1xwn s PRO 164 Ca 0.07 0.06 -0.24 0.00 0.04 0.00 0.00 61.00 60.92 1xwn s PRO 164 Cb -0.01 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.65 1xwn s PRO 164 CO -0.01 -1.73 1.31 -1.12 0.04 0.00 0.00 177.00 175.49 1xwn s SER 165 N -4.58 6.35 0.00 6.66 0.01 -1.01 -4.57 113.70 116.57 1xwn s SER 165 Ca 0.63 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.82 1xwn s SER 165 Cb -0.10 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.59 1xwn s SER 165 CO 0.50 -1.59 0.00 0.61 0.41 0.00 0.00 173.24 173.16