#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 -0.87 3.04 0.00 -1.26 -4.70 121.76 119.70 1xwn s ALA 2 Ca 0.00 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 50.89 1xwn s ALA 2 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1xwn s ALA 2 CO 0.00 0.38 0.00 0.00 0.00 0.00 0.00 175.76 176.14 1xwn n ALA 3 N 1.73 -0.12 -2.98 0.00 0.00 -1.26 -4.85 120.51 113.02 1xwn n ALA 3 Ca -0.18 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.25 1xwn n ALA 3 Cb 0.53 -1.55 0.01 0.00 0.00 0.00 0.00 19.45 18.44 1xwn n ALA 3 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1xwn n ILE 4 N -2.29 -0.21 -1.50 0.00 5.41 -1.26 -5.11 119.36 114.41 1xwn n ILE 4 Ca -0.08 -3.05 -0.46 0.00 1.00 0.00 0.00 62.75 60.16 1xwn n ILE 4 Cb 0.51 0.18 -0.06 0.00 -0.71 0.00 0.00 39.64 39.56 1xwn n ILE 4 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1xwn n PRO 5 N 0.79 1.18 -2.59 0.38 -0.02 -1.26 -4.89 135.00 128.59 1xwn n PRO 5 Ca 0.16 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.50 1xwn n PRO 5 Cb 0.64 -2.73 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 1xwn n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xwn s PRO 6 N 6.81 3.36 0.33 0.52 0.04 -1.26 -4.83 135.00 139.97 1xwn s PRO 6 Ca 1.08 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.42 1xwn s PRO 6 Cb -0.66 -4.68 0.00 0.00 0.04 0.00 0.00 34.50 29.21 1xwn s PRO 6 CO 0.42 -2.13 0.00 -3.47 0.04 0.00 0.00 177.00 171.86 1xwn n ASP 7 N 8.93 -4.49 -4.34 6.66 2.03 -1.26 -4.98 116.55 119.10 1xwn n ASP 7 Ca 0.15 0.96 -0.32 0.00 0.52 0.00 0.00 54.79 56.10 1xwn n ASP 7 Cb 0.50 -2.42 -0.15 0.00 -0.72 0.00 0.00 41.12 38.32 1xwn n ASP 7 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1xwn s SER 8 N -4.73 3.52 -0.30 1.67 0.01 -1.26 -5.10 113.70 107.50 1xwn s SER 8 Ca 0.00 -0.40 -0.12 0.00 1.31 0.00 0.00 55.95 56.74 1xwn s SER 8 Cb 0.00 -1.05 0.16 0.00 0.21 0.00 0.00 66.02 65.34 1xwn s SER 8 CO 0.00 0.25 0.86 0.26 0.41 0.00 0.00 173.24 175.01 1xwn s TRP 9 N -0.15 -0.95 -0.37 2.43 0.23 -1.26 -5.13 118.94 113.75 1xwn s TRP 9 Ca -0.02 1.53 0.00 0.00 -2.03 0.00 0.00 56.10 55.58 1xwn s TRP 9 Cb -0.14 0.53 0.13 0.00 0.03 0.00 0.00 33.47 34.02 1xwn s TRP 9 CO 0.04 -0.48 0.19 -0.65 0.96 0.00 0.00 176.95 177.01 1xwn s GLN 10 N 2.66 0.77 -0.62 4.98 -1.52 -1.26 -5.09 119.66 119.58 1xwn s GLN 10 Ca -0.02 -1.41 -0.33 0.00 -1.95 0.00 0.00 55.36 51.66 1xwn s GLN 10 Cb -0.09 -1.74 -0.15 0.00 -0.22 0.00 0.00 33.01 30.82 1xwn s GLN 10 CO -0.18 -1.13 2.41 -2.30 -0.25 0.00 0.00 175.29 173.84 1xwn n PRO 11 N 4.16 0.56 0.06 2.91 -0.02 -1.26 -4.85 135.00 136.57 1xwn n PRO 11 Ca 0.06 0.09 -0.13 0.00 -2.02 0.00 0.00 63.50 61.50 1xwn n PRO 11 Cb 0.38 -2.24 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 1xwn n PRO 11 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1xwn h PRO 12 N 13.48 -0.14 -5.80 0.52 0.11 -1.88 -3.45 132.00 134.84 1xwn h PRO 12 Ca -0.17 0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.36 1xwn h PRO 12 Cb 1.32 0.03 -0.07 0.00 0.11 0.00 0.00 31.00 32.39 1xwn h PRO 12 CO 1.19 0.18 -0.37 -0.80 -0.21 0.00 0.00 178.00 177.98 1xwn s ASN 13 N -5.36 4.53 -0.06 -2.05 -0.87 -1.25 -2.22 114.94 107.64 1xwn s ASN 13 Ca -0.15 -1.27 -0.03 0.00 -1.57 0.00 0.00 52.86 49.84 1xwn s ASN 13 Cb 0.03 0.26 0.04 0.00 -0.02 0.00 0.00 41.25 41.55 1xwn s ASN 13 CO 0.63 -0.95 0.14 -0.69 -2.57 0.00 0.00 177.10 173.66 1xwn s VAL 14 N -2.75 -0.05 -0.58 1.60 1.01 0.13 -1.63 120.40 118.13 1xwn s VAL 14 Ca 0.30 0.18 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 1xwn s VAL 14 Cb -0.01 -0.24 0.09 0.00 0.00 0.00 0.00 36.38 36.22 1xwn s VAL 14 CO 0.18 0.08 0.72 -0.31 0.00 0.00 0.00 175.10 175.77 1xwn s TYR 15 N 1.19 2.97 -0.92 5.22 1.51 0.12 -0.59 117.35 126.85 1xwn s TYR 15 Ca -0.09 -0.79 -0.20 0.00 -1.01 0.00 0.00 57.07 54.98 1xwn s TYR 15 Cb -0.12 -3.93 0.11 0.00 -0.11 0.00 0.00 41.96 37.92 1xwn s TYR 15 CO -0.06 -1.27 1.16 -0.51 -1.11 0.00 0.00 175.55 173.76 1xwn s LEU 16 N 2.85 4.76 -0.69 -1.29 1.43 -0.24 -1.50 118.68 123.99 1xwn s LEU 16 Ca 0.14 -1.86 -0.27 0.00 -1.03 0.00 0.00 54.13 51.11 1xwn s LEU 16 Cb -0.22 -2.43 0.03 0.00 0.03 0.00 0.00 46.19 43.61 1xwn s LEU 16 CO 0.08 -1.17 1.21 -0.70 0.23 0.00 0.00 176.35 176.01 1xwn s GLU 17 N 3.16 3.25 0.34 1.70 -6.30 -0.88 -2.54 118.70 117.43 1xwn s GLU 17 Ca 0.34 -0.22 0.08 0.00 -2.50 0.00 0.00 54.97 52.67 1xwn s GLU 17 Cb -0.05 -4.15 -0.04 0.00 0.00 0.00 0.00 34.13 29.89 1xwn s GLU 17 CO -0.08 -2.00 0.19 0.95 0.02 0.00 0.00 175.26 174.34 1xwn s THR 18 N 5.33 3.16 0.27 -1.70 -4.23 -0.38 0.34 115.64 118.44 1xwn s THR 18 Ca 0.35 -1.60 0.05 0.00 -1.18 0.00 0.00 61.69 59.31 1xwn s THR 18 Cb -0.09 -3.04 0.01 0.00 1.34 0.00 0.00 72.50 70.72 1xwn s THR 18 CO 0.17 -0.18 1.65 -1.28 -0.54 0.00 0.00 174.62 174.44 1xwn h SER 19 N 1.45 0.31 0.32 3.99 0.87 -0.38 -2.93 113.55 117.18 1xwn h SER 19 Ca -0.44 -0.14 -0.13 0.00 -1.23 0.00 0.00 61.79 59.85 1xwn h SER 19 Cb 1.25 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 1xwn h SER 19 CO 0.62 0.73 -0.54 0.24 -0.53 0.00 0.00 176.83 177.34 1xwn h MET 20 N 0.23 0.25 0.00 2.24 2.86 -1.93 -3.48 114.93 115.10 1xwn h MET 20 Ca 0.01 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1xwn h MET 20 Cb 0.91 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.58 1xwn h MET 20 CO 0.07 0.73 0.00 0.41 1.06 0.00 0.00 176.91 179.18 1xwn n GLY 21 N 0.13 -0.82 2.91 8.32 0.00 -1.11 -5.10 105.19 109.53 1xwn n GLY 21 Ca -0.02 -0.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.00 -0.05 -0.03 -0.61 2.07 -1.26 -1.24 121.20 116.08 1xwn s ILE 22 Ca 0.00 0.18 0.02 0.00 -1.41 0.00 0.00 60.65 59.44 1xwn s ILE 22 Cb 0.00 -0.23 0.01 0.00 0.13 0.00 0.00 42.46 42.37 1xwn s ILE 22 CO 0.00 0.08 -0.06 0.27 -1.91 0.00 0.00 174.94 173.32 1xwn s ILE 23 N 1.17 0.56 -0.32 2.00 -4.36 -1.05 -4.64 121.20 114.57 1xwn s ILE 23 Ca -0.09 -0.21 -0.13 0.00 -0.26 0.00 0.00 60.65 59.96 1xwn s ILE 23 Cb -0.12 -0.54 -0.03 0.00 1.25 0.00 0.00 42.46 43.03 1xwn s ILE 23 CO -0.06 0.20 0.26 -0.69 0.24 0.00 0.00 174.94 174.89 1xwn s VAL 24 N 0.44 5.27 0.06 8.37 1.01 0.22 -1.08 120.40 134.69 1xwn s VAL 24 Ca -0.06 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.91 1xwn s VAL 24 Cb -0.10 -3.67 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1xwn s VAL 24 CO 0.00 0.07 0.27 -0.76 0.00 0.00 0.00 175.10 174.68 1xwn s LEU 25 N 1.81 4.34 -0.36 3.92 1.02 0.24 -3.20 118.68 126.45 1xwn s LEU 25 Ca 0.08 0.44 0.01 0.00 0.02 0.00 0.00 54.13 54.68 1xwn s LEU 25 Cb -0.17 -2.96 0.10 0.00 0.02 0.00 0.00 46.19 43.18 1xwn s LEU 25 CO 0.11 0.16 0.10 -0.70 0.02 0.00 0.00 176.35 176.04 1xwn s GLU 26 N -2.31 1.75 0.13 1.70 2.12 0.21 0.17 118.70 122.46 1xwn s GLU 26 Ca 0.34 -1.81 -0.27 0.00 0.36 0.00 0.00 54.97 53.60 1xwn s GLU 26 Cb -0.13 -3.34 -0.07 0.00 0.26 0.00 0.00 34.13 30.85 1xwn s GLU 26 CO 0.23 -0.96 0.82 -0.51 -0.54 0.00 0.00 175.26 174.30 1xwn s LEU 27 N 1.02 4.54 -0.68 2.70 1.43 -0.94 -1.71 118.68 125.04 1xwn s LEU 27 Ca 0.08 1.65 -0.26 0.00 -1.03 0.00 0.00 54.13 54.57 1xwn s LEU 27 Cb -0.21 -3.36 -0.02 0.00 0.03 0.00 0.00 46.19 42.64 1xwn s LEU 27 CO -0.06 0.10 1.81 -0.31 0.23 0.00 0.00 176.35 178.12 1xwn s TYR 28 N -0.65 1.77 -1.85 0.29 2.02 -1.22 -4.79 117.35 112.92 1xwn s TYR 28 Ca 0.39 0.64 0.00 0.00 -0.37 0.00 0.00 57.07 57.73 1xwn s TYR 28 Cb -0.23 -4.15 0.00 0.00 -0.40 0.00 0.00 41.96 37.18 1xwn s TYR 28 CO 0.27 -2.19 0.88 -2.67 -1.57 0.00 0.00 175.55 170.27 1xwn n TRP 29 N 12.52 0.00 -0.01 2.71 4.27 -1.26 -1.76 117.44 133.91 1xwn n TRP 29 Ca 0.22 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.82 1xwn n TRP 29 Cb 0.51 -0.01 -0.00 0.00 -1.36 0.00 0.00 31.31 30.44 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 -0.42 0.03 -0.01 -2.67 4.76 -1.26 -4.57 118.16 114.02 1xwn n LYS 30 Ca 0.00 0.01 0.10 0.00 -2.87 0.00 0.00 58.31 55.56 1xwn n LYS 30 Cb 0.04 -0.55 -0.15 0.00 -1.84 0.00 0.00 35.03 32.53 1xwn n LYS 30 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1xwn n HIS 31 N -2.62 0.00 1.03 2.13 -0.00 -1.26 -4.43 115.22 110.07 1xwn n HIS 31 Ca -0.01 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.29 1xwn n HIS 31 Cb 0.03 -0.34 0.24 0.00 -0.12 0.00 0.00 29.99 29.80 1xwn n HIS 31 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1xwn n ALA 32 N -2.01 2.49 -0.46 1.57 0.00 -0.72 -4.56 120.51 116.82 1xwn n ALA 32 Ca -0.02 -0.67 0.38 0.00 0.00 0.00 0.00 53.44 53.14 1xwn n ALA 32 Cb 0.48 -0.92 0.66 0.00 0.00 0.00 0.00 19.45 19.67 1xwn n ALA 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xwn h PRO 33 N 3.94 0.07 0.90 0.00 0.11 -1.68 0.18 132.00 135.52 1xwn h PRO 33 Ca 0.00 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 1xwn h PRO 33 Cb 0.84 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1xwn h PRO 33 CO 0.00 0.05 -0.47 -0.22 -0.21 0.00 0.00 178.00 177.15 1xwn h LYS 34 N 0.08 -1.21 -0.33 1.05 1.63 -1.90 -0.62 116.57 115.26 1xwn h LYS 34 Ca 0.83 0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 60.66 1xwn h LYS 34 Cb 2.64 0.28 -0.02 0.00 -0.60 0.00 0.00 32.23 34.53 1xwn h LYS 34 CO -0.39 -0.81 -0.02 1.79 -3.45 0.00 0.00 179.45 176.56 1xwn h THR 35 N -1.26 1.20 -0.35 1.00 1.35 -1.34 -2.75 112.91 110.76 1xwn h THR 35 Ca -0.12 -0.81 0.04 0.00 -0.55 0.00 0.00 66.41 64.96 1xwn h THR 35 Cb 0.98 0.98 -0.04 0.00 -1.73 0.00 0.00 68.15 68.34 1xwn h THR 35 CO 0.18 0.28 0.13 0.00 -0.25 0.00 0.00 175.52 175.85 1xwn h LYS 37 N 0.28 1.18 -0.79 0.00 3.64 -0.84 0.16 116.57 120.21 1xwn h LYS 37 Ca 0.16 -0.12 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1xwn h LYS 37 Cb 0.12 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 1xwn h LYS 37 CO -0.15 0.84 0.45 -0.97 -2.27 0.00 0.00 179.45 177.34 1xwn h ASN 38 N 1.19 0.97 -0.22 4.20 -1.24 -1.15 -1.85 115.58 117.49 1xwn h ASN 38 Ca 0.31 -0.09 -0.17 0.00 0.71 0.00 0.00 56.30 57.06 1xwn h ASN 38 Cb -0.02 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 38.78 1xwn h ASN 38 CO -0.05 0.78 -0.48 0.15 -1.29 0.00 0.00 177.43 176.54 1xwn h PHE 39 N 1.09 0.97 0.31 0.67 3.57 -0.65 -1.73 116.94 121.16 1xwn h PHE 39 Ca 0.28 -0.32 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1xwn h PHE 39 Cb 0.01 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.55 1xwn h PHE 39 CO -0.00 1.11 -0.19 0.00 -2.23 0.00 0.00 178.31 177.00 1xwn h ALA 40 N 0.83 -0.47 -0.18 2.41 0.00 -0.64 -2.47 119.26 118.73 1xwn h ALA 40 Ca 0.03 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1xwn h ALA 40 Cb 1.06 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1xwn h ALA 40 CO 0.10 -0.78 -0.15 0.93 0.00 0.00 0.00 179.25 179.36 1xwn h GLU 41 N -0.48 0.30 -0.72 0.00 5.08 -1.39 -1.27 114.58 116.09 1xwn h GLU 41 Ca -0.03 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1xwn h GLU 41 Cb 0.40 -0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1xwn h GLU 41 CO 0.03 0.45 0.37 -0.07 -1.00 0.00 0.00 179.01 178.78 1xwn h LEU 42 N 0.28 0.49 0.04 1.33 -0.00 -0.88 0.32 115.31 116.89 1xwn h LEU 42 Ca 0.05 0.06 -0.24 0.00 -0.00 0.00 0.00 57.88 57.75 1xwn h LEU 42 Cb 0.43 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.04 1xwn h LEU 42 CO 0.03 0.28 -1.19 0.00 -0.00 0.00 0.00 178.44 177.56 1xwn h ALA 43 N 1.43 0.32 -0.05 1.53 0.00 -1.15 -0.77 119.26 120.57 1xwn h ALA 43 Ca 0.35 -0.98 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 1xwn h ALA 43 Cb 0.36 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xwn h ALA 43 CO -0.26 1.21 -0.01 0.00 0.00 0.00 0.00 179.25 180.19 1xwn h ARG 44 N 0.03 0.09 -0.23 0.00 -0.00 -0.49 -3.07 114.38 110.70 1xwn h ARG 44 Ca -0.09 -0.03 0.01 0.00 -0.50 0.00 0.00 59.98 59.37 1xwn h ARG 44 Cb 1.87 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 31.82 1xwn h ARG 44 CO 0.15 0.41 0.15 0.00 0.00 0.00 0.00 179.97 180.67 1xwn h ARG 45 N -0.23 0.25 0.00 0.04 3.08 -0.52 -3.46 114.38 113.54 1xwn h ARG 45 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xwn h ARG 45 Cb 0.37 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1xwn h ARG 45 CO 0.00 0.17 0.00 0.41 -1.07 0.00 0.00 179.97 179.48 1xwn n GLY 46 N -1.52 1.95 0.10 0.04 0.00 -1.16 -5.03 105.19 99.57 1xwn n GLY 46 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.39 0.25 -0.06 1.61 4.01 -0.33 -4.61 117.16 117.63 1xwn n TYR 47 Ca 0.00 0.08 -0.05 0.00 -0.16 0.00 0.00 57.90 57.78 1xwn n TYR 47 Cb 0.00 -1.04 -0.04 0.00 -0.31 0.00 0.00 39.34 37.95 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 0.00 0.00 -2.64 -0.72 3.20 -1.66 -3.42 116.97 111.74 1xwn h TYR 48 Ca -0.49 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 60.84 1xwn h TYR 48 Cb 2.16 0.00 0.03 0.00 1.54 0.00 0.00 36.73 40.46 1xwn h TYR 48 CO 0.01 0.29 1.04 0.54 -1.64 0.00 0.00 178.16 178.39 1xwn s ASN 49 N -5.78 6.55 0.00 -2.11 4.22 -1.26 -2.41 114.94 114.15 1xwn s ASN 49 Ca -0.07 2.56 0.00 0.00 -2.14 0.00 0.00 52.86 53.21 1xwn s ASN 49 Cb -0.00 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 39.97 1xwn s ASN 49 CO 0.21 -0.92 0.00 0.61 -2.04 0.00 0.00 177.10 174.95 1xwn n GLY 50 N 4.08 0.99 3.64 0.45 0.00 -0.97 -4.92 105.19 108.45 1xwn n GLY 50 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.44 2.19 -0.12 2.61 2.01 -1.01 -4.60 115.64 115.28 1xwn s THR 51 Ca 0.00 0.06 0.22 0.00 0.31 0.00 0.00 61.69 62.28 1xwn s THR 51 Cb 0.00 -2.16 0.46 0.00 0.01 0.00 0.00 72.50 70.81 1xwn s THR 51 CO 0.00 -0.08 1.16 2.29 -0.69 0.00 0.00 174.62 177.30 1xwn n LYS 52 N -4.33 0.95 -1.46 4.92 -0.00 -1.26 -1.17 118.16 115.81 1xwn n LYS 52 Ca 0.09 -2.75 0.20 0.00 -0.00 0.00 0.00 58.31 55.85 1xwn n LYS 52 Cb 0.53 -0.82 -0.05 0.00 -0.00 0.00 0.00 35.03 34.68 1xwn n LYS 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1xwn n PHE 53 N -0.10 -3.67 0.00 5.58 3.01 -1.24 -4.12 117.46 116.92 1xwn n PHE 53 Ca 0.10 1.83 0.00 0.00 1.01 0.00 0.00 57.45 60.40 1xwn n PHE 53 Cb 0.98 -3.33 0.00 0.00 -0.01 0.00 0.00 39.48 37.12 1xwn n PHE 53 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1xwn n HIS 54 N -4.28 -0.58 -3.52 1.38 8.25 -1.25 -4.78 115.22 110.44 1xwn n HIS 54 Ca 0.01 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1xwn n HIS 54 Cb 0.67 0.45 -0.07 0.00 1.12 0.00 0.00 29.99 32.16 1xwn n HIS 54 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1xwn s ARG 55 N -0.90 4.27 -0.39 -0.41 6.06 -1.25 -4.86 118.95 121.46 1xwn s ARG 55 Ca 0.00 0.12 0.01 0.00 -2.50 0.00 0.00 55.73 53.35 1xwn s ARG 55 Cb 0.00 -3.43 0.13 0.00 0.06 0.00 0.00 34.95 31.71 1xwn s ARG 55 CO 0.00 0.23 0.20 0.42 -2.50 0.00 0.00 175.30 173.65 1xwn s ILE 56 N 0.49 0.93 -0.31 4.11 -1.09 -1.26 -2.22 121.20 121.84 1xwn s ILE 56 Ca 0.17 -2.06 -0.16 0.00 -2.23 0.00 0.00 60.65 56.37 1xwn s ILE 56 Cb -0.13 -1.67 -0.02 0.00 -1.58 0.00 0.00 42.46 39.06 1xwn s ILE 56 CO 0.04 -0.87 0.42 -0.63 -1.23 0.00 0.00 174.94 172.67 1xwn s ILE 57 N 0.83 5.12 0.48 2.92 1.01 -0.83 -4.77 121.20 125.97 1xwn s ILE 57 Ca 0.16 0.37 -0.20 0.00 0.00 0.00 0.00 60.65 60.98 1xwn s ILE 57 Cb -0.23 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 1xwn s ILE 57 CO -0.05 -0.03 1.02 -0.75 0.00 0.00 0.00 174.94 175.13 1xwn s LYS 58 N 2.17 3.87 -1.58 2.79 2.47 -1.26 -2.58 119.74 125.61 1xwn s LYS 58 Ca 0.16 1.30 -0.01 0.00 -1.56 0.00 0.00 55.97 55.85 1xwn s LYS 58 Cb -0.16 -2.11 0.00 0.00 -1.46 0.00 0.00 37.83 34.10 1xwn s LYS 58 CO 0.11 -0.36 0.13 -0.25 0.16 0.00 0.00 175.35 175.14 1xwn n ASP 59 N -0.96 -5.55 0.00 1.43 8.00 -1.26 -4.74 116.55 113.47 1xwn n ASP 59 Ca 0.09 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1xwn n ASP 59 Cb 0.53 -4.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.08 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 -4.11 0.00 -3.85 1.24 7.35 -1.24 -4.87 117.46 111.98 1xwn n PHE 60 Ca -0.20 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.42 1xwn n PHE 60 Cb 0.66 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.47 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 1.77 -0.04 -4.13 0.23 -1.07 -2.86 119.30 113.20 1xwn s MET 61 Ca 0.00 -0.98 -0.01 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 33.93 1xwn s MET 61 CO 0.00 -0.81 0.07 0.96 -2.03 0.00 0.00 175.02 173.21 1xwn s ILE 62 N -3.87 -0.10 0.30 3.16 -4.36 -0.94 -1.96 121.20 113.43 1xwn s ILE 62 Ca 0.11 0.30 -0.02 0.00 -0.26 0.00 0.00 60.65 60.79 1xwn s ILE 62 Cb -0.06 -0.15 -0.04 0.00 1.25 0.00 0.00 42.46 43.46 1xwn s ILE 62 CO 0.07 0.13 0.52 -1.10 0.24 0.00 0.00 174.94 174.79 1xwn s GLN 63 N 1.60 3.54 0.11 0.37 -0.21 -0.94 0.07 119.66 124.20 1xwn s GLN 63 Ca -0.03 -0.21 0.06 0.00 0.02 0.00 0.00 55.36 55.19 1xwn s GLN 63 Cb -0.12 -2.69 -0.04 0.00 1.00 0.00 0.00 33.01 31.16 1xwn s GLN 63 CO -0.04 0.22 -0.14 0.20 -2.12 0.00 0.00 175.29 173.41 1xwn s GLY 64 N -3.55 1.03 0.76 3.09 0.00 -0.70 -3.96 107.32 103.99 1xwn s GLY 64 Ca 0.41 -1.22 -0.09 0.00 0.00 0.00 0.00 44.72 43.82 1xwn s GLY 64 CO 0.33 -1.27 1.09 -0.32 0.00 0.00 0.00 173.10 172.92 1xwn s GLY 65 N -2.27 1.67 0.26 0.20 0.00 -1.26 -3.42 107.32 102.50 1xwn s GLY 65 Ca 0.06 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1xwn s GLY 65 CO 0.03 -0.43 0.00 1.22 0.00 0.00 0.00 173.10 173.91 1xwn n ASP 66 N -3.11 -2.31 -4.85 1.64 8.00 -1.26 -4.92 116.55 109.74 1xwn n ASP 66 Ca 0.09 0.50 -0.30 0.00 0.71 0.00 0.00 54.79 55.79 1xwn n ASP 66 Cb 0.61 2.36 0.05 0.00 -0.02 0.00 0.00 41.12 44.12 1xwn n ASP 66 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1xwn s PRO 67 N -1.53 2.75 -1.46 -0.24 0.04 -1.26 -4.06 135.00 129.24 1xwn s PRO 67 Ca 0.00 0.63 -0.08 0.00 0.04 0.00 0.00 61.00 61.58 1xwn s PRO 67 Cb 0.00 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.58 1xwn s PRO 67 CO 0.00 -1.15 0.84 2.41 0.04 0.00 0.00 177.00 179.14 1xwn n THR 68 N -3.11 -2.18 0.07 1.26 -1.04 -1.24 -4.87 114.28 103.17 1xwn n THR 68 Ca 0.07 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.13 1xwn n THR 68 Cb 0.56 -3.30 0.48 0.00 -1.82 0.00 0.00 70.33 66.25 1xwn n THR 68 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1xwn h GLY 69 N -1.87 0.41 1.22 3.41 0.00 -1.85 -2.62 103.07 101.76 1xwn h GLY 69 Ca -0.54 -0.16 -0.30 0.00 0.00 0.00 0.00 47.33 46.34 1xwn h GLY 69 CO 0.58 0.15 -1.55 -0.91 0.00 0.00 0.00 176.54 174.82 1xwn h THR 70 N 0.40 1.10 -0.77 4.70 1.35 -1.91 -3.49 112.91 114.29 1xwn h THR 70 Ca 0.11 -2.81 0.00 0.00 -0.55 0.00 0.00 66.41 63.16 1xwn h THR 70 Cb -0.03 2.67 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1xwn h THR 70 CO -0.02 0.77 0.00 0.61 -0.25 0.00 0.00 175.52 176.63 1xwn n GLY 71 N 1.63 0.90 1.52 5.82 0.00 -0.99 -5.02 105.19 109.05 1xwn n GLY 71 Ca -0.16 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.38 0.00 -4.67 1.61 3.00 -1.26 -5.14 116.66 109.83 1xwn n ARG 72 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 1xwn n ARG 72 Cb 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.47 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 -2.00 1.66 -0.50 5.14 0.00 -1.26 -5.08 107.32 105.27 1xwn s GLY 73 Ca 0.00 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.81 1xwn s GLY 73 CO 0.00 -0.74 0.30 -0.32 0.00 0.00 0.00 173.10 172.34 1xwn s GLY 74 N -0.90 2.01 0.07 0.20 0.00 -1.26 -3.60 107.32 103.84 1xwn s GLY 74 Ca 0.13 -2.94 -0.14 0.00 0.00 0.00 0.00 44.72 41.77 1xwn s GLY 74 CO 0.02 1.41 0.32 0.00 0.00 0.00 0.00 173.10 174.86 1xwn s ALA 75 N -0.13 -0.71 0.33 3.20 0.00 -1.26 -4.98 121.76 118.21 1xwn s ALA 75 Ca 0.20 -0.06 0.07 0.00 0.00 0.00 0.00 51.96 52.18 1xwn s ALA 75 Cb -0.18 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1xwn s ALA 75 CO -0.05 -0.48 0.33 -1.54 0.00 0.00 0.00 175.76 174.02 1xwn s SER 76 N -2.33 5.44 0.33 0.00 1.04 -0.29 -4.88 113.70 113.01 1xwn s SER 76 Ca -0.02 -0.42 0.07 0.00 0.48 0.00 0.00 55.95 56.05 1xwn s SER 76 Cb 0.01 -1.04 0.60 0.00 0.10 0.00 0.00 66.02 65.68 1xwn s SER 76 CO -0.06 -0.36 1.81 0.16 0.98 0.00 0.00 173.24 175.77 1xwn h ILE 77 N 1.18 1.23 0.00 -1.02 -0.00 -1.97 -2.80 117.51 114.13 1xwn h ILE 77 Ca -0.45 -1.07 -0.17 0.00 -0.00 0.00 0.00 64.86 63.16 1xwn h ILE 77 Cb 1.25 1.32 -0.02 0.00 -0.00 0.00 0.00 36.82 39.37 1xwn h ILE 77 CO 0.57 0.33 -0.81 1.88 -0.00 0.00 0.00 178.15 180.12 1xwn h TYR 78 N 0.30 0.07 0.00 0.16 0.05 -1.95 -3.50 116.97 112.10 1xwn h TYR 78 Ca 0.05 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1xwn h TYR 78 Cb 0.54 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.27 1xwn h TYR 78 CO 0.01 0.84 0.00 0.41 -1.05 0.00 0.00 178.16 178.37 1xwn n GLY 79 N 0.78 -0.70 2.66 3.88 0.00 -1.06 -5.04 105.19 105.70 1xwn n GLY 79 Ca -0.01 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 1.83 -0.84 1.61 4.81 -1.26 -1.14 118.16 123.16 1xwn n LYS 80 Ca 0.00 -4.34 0.00 0.00 -0.87 0.00 0.00 58.31 53.10 1xwn n LYS 80 Cb 0.00 -2.15 0.00 0.00 0.02 0.00 0.00 35.03 32.90 1xwn n LYS 80 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1xwn n GLN 81 N 1.66 -2.40 -3.03 1.64 1.13 -1.26 -5.03 117.38 110.08 1xwn n GLN 81 Ca 0.24 1.76 -0.09 0.00 -1.94 0.00 0.00 57.00 56.97 1xwn n GLN 81 Cb 0.39 -1.96 -0.03 0.00 0.11 0.00 0.00 30.24 28.75 1xwn n GLN 81 CO 0.00 0.00 0.00 1.97 -1.44 0.00 0.00 177.06 177.59 1xwn n PHE 82 N -0.54 -0.79 -0.87 1.08 -1.74 -1.23 -4.84 117.46 108.53 1xwn n PHE 82 Ca 0.00 -1.40 -0.29 0.00 -0.56 0.00 0.00 57.45 55.20 1xwn n PHE 82 Cb 0.00 0.25 0.25 0.00 1.52 0.00 0.00 39.48 41.51 1xwn n PHE 82 CO 0.00 0.00 0.00 0.39 -0.56 0.00 0.00 176.76 176.59 1xwn n GLU 83 N -0.33 -3.46 -4.22 3.97 1.02 -1.26 0.88 120.64 117.23 1xwn n GLU 83 Ca 0.02 -1.66 -0.35 0.00 -0.02 0.00 0.00 57.16 55.16 1xwn n GLU 83 Cb 0.33 -1.66 -0.08 0.00 -0.02 0.00 0.00 31.44 30.01 1xwn n GLU 83 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 1xwn s ASP 84 N -4.13 5.52 -0.46 1.62 1.47 -1.26 -4.47 116.67 114.95 1xwn s ASP 84 Ca 0.69 0.19 -0.29 0.00 1.18 0.00 0.00 52.55 54.32 1xwn s ASP 84 Cb -0.08 -1.60 0.02 0.00 -0.34 0.00 0.00 42.92 40.93 1xwn s ASP 84 CO 0.54 0.35 1.24 -1.61 0.68 0.00 0.00 175.17 176.37 1xwn s GLU 85 N -1.16 3.65 -0.23 2.11 0.41 -1.26 -4.98 118.70 117.24 1xwn s GLU 85 Ca 0.16 0.67 -0.16 0.00 -0.41 0.00 0.00 54.97 55.23 1xwn s GLU 85 Cb -0.12 -3.96 0.07 0.00 -1.78 0.00 0.00 34.13 28.34 1xwn s GLU 85 CO 0.06 -1.48 0.58 -1.17 -0.49 0.00 0.00 175.26 172.76 1xwn s LEU 86 N 4.86 -0.44 0.15 1.80 2.96 -1.26 -4.71 118.68 122.04 1xwn s LEU 86 Ca 0.52 1.22 0.00 0.00 -0.22 0.00 0.00 54.13 55.66 1xwn s LEU 86 Cb -0.09 1.97 0.00 0.00 0.50 0.00 0.00 46.19 48.57 1xwn s LEU 86 CO 0.32 -0.21 0.00 1.41 -1.32 0.00 0.00 176.35 176.55 1xwn n HIS 87 N 3.65 -2.87 -2.25 5.38 8.25 -1.26 -5.15 115.22 120.97 1xwn n HIS 87 Ca -0.18 0.52 -0.34 0.00 -0.26 0.00 0.00 57.72 57.47 1xwn n HIS 87 Cb 0.57 1.57 -0.00 0.00 1.12 0.00 0.00 29.99 33.24 1xwn n HIS 87 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1xwn s PRO 88 N -1.76 3.46 -0.95 -0.41 0.04 -1.26 -4.93 135.00 129.18 1xwn s PRO 88 Ca 0.00 1.37 -0.24 0.00 0.04 0.00 0.00 61.00 62.17 1xwn s PRO 88 Cb 0.00 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.48 1xwn s PRO 88 CO 0.00 -0.72 1.79 -0.51 0.04 0.00 0.00 177.00 177.60 1xwn s ASP 89 N -2.24 5.58 1.04 6.66 1.11 -1.26 -4.96 116.67 122.59 1xwn s ASP 89 Ca 0.67 -0.97 -0.15 0.00 0.18 0.00 0.00 52.55 52.29 1xwn s ASP 89 Cb -0.18 -2.56 0.20 0.00 1.07 0.00 0.00 42.92 41.45 1xwn s ASP 89 CO 0.29 -2.36 1.09 0.18 1.18 0.00 0.00 175.17 175.55 1xwn n LEU 90 N 12.35 0.00 -4.55 1.23 4.77 -1.26 -5.09 117.00 124.45 1xwn n LEU 90 Ca 0.38 -1.19 -0.26 0.00 -0.03 0.00 0.00 56.01 54.91 1xwn n LEU 90 Cb 0.48 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.62 1xwn n LEU 90 CO 0.62 -1.42 -0.42 -0.75 -1.33 0.00 0.00 177.39 174.09 1xwn s LYS 91 N -5.40 1.98 -0.43 3.23 2.47 -1.26 -5.10 119.74 115.23 1xwn s LYS 91 Ca 0.63 -1.34 0.05 0.00 -1.56 0.00 0.00 55.97 53.74 1xwn s LYS 91 Cb -0.02 -2.09 0.17 0.00 -1.46 0.00 0.00 37.83 34.42 1xwn s LYS 91 CO 0.45 0.42 0.47 0.12 0.16 0.00 0.00 175.35 176.96 1xwn s PHE 92 N -1.79 -0.22 0.24 4.03 2.19 -1.26 -4.99 117.98 116.18 1xwn s PHE 92 Ca 0.25 -1.25 0.01 0.00 0.33 0.00 0.00 56.93 56.27 1xwn s PHE 92 Cb -0.08 -0.36 0.28 0.00 -1.31 0.00 0.00 43.02 41.54 1xwn s PHE 92 CO 0.15 -1.01 1.62 1.79 1.83 0.00 0.00 175.22 179.59 1xwn h THR 93 N 4.88 1.31 0.00 0.12 1.35 -1.97 -3.37 112.91 115.23 1xwn h THR 93 Ca 0.13 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.40 1xwn h THR 93 Cb 1.02 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.06 1xwn h THR 93 CO 0.20 0.49 0.00 0.61 -0.25 0.00 0.00 175.52 176.57 1xwn n GLY 94 N -0.04 2.84 3.51 5.82 0.00 -1.26 -3.60 105.19 112.46 1xwn n GLY 94 Ca -0.02 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.01 3.41 -0.68 4.61 0.00 -1.25 -2.33 121.76 123.51 1xwn s ALA 95 Ca 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 51.96 50.65 1xwn s ALA 95 Cb 0.00 -2.47 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1xwn s ALA 95 CO 0.00 -0.78 0.59 0.41 0.00 0.00 0.00 175.76 175.98 1xwn n GLY 96 N 5.04 -0.43 2.93 0.00 0.00 0.27 -4.94 105.19 108.06 1xwn n GLY 96 Ca -0.14 0.28 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 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 -3.25 0.05 -0.14 -0.61 -1.09 -1.06 -3.39 121.20 111.71 1xwn s ILE 97 Ca 0.29 -0.42 0.01 0.00 -2.23 0.00 0.00 60.65 58.30 1xwn s ILE 97 Cb -0.04 -0.14 -0.00 0.00 -1.58 0.00 0.00 42.46 40.70 1xwn s ILE 97 CO 0.48 -0.23 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.03 1xwn s LEU 98 N -0.69 2.46 0.01 2.97 1.43 -0.49 -0.70 118.68 123.68 1xwn s LEU 98 Ca -0.08 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 52.63 1xwn s LEU 98 Cb -0.05 -1.55 -0.02 0.00 0.03 0.00 0.00 46.19 44.61 1xwn s LEU 98 CO -0.00 0.12 -0.17 0.00 0.23 0.00 0.00 176.35 176.53 1xwn s ALA 99 N 0.61 1.38 -0.63 4.21 0.00 -1.19 -1.63 121.76 124.52 1xwn s ALA 99 Ca -0.09 -0.81 -0.28 0.00 0.00 0.00 0.00 51.96 50.78 1xwn s ALA 99 Cb -0.16 -0.30 0.03 0.00 0.00 0.00 0.00 23.12 22.69 1xwn s ALA 99 CO 0.03 0.31 1.23 -1.64 0.00 0.00 0.00 175.76 175.69 1xwn s MET 100 N -0.76 3.41 0.71 0.00 -1.94 0.22 -2.96 119.30 117.99 1xwn s MET 100 Ca 0.05 0.11 0.02 0.00 -1.71 0.00 0.00 55.69 54.16 1xwn s MET 100 Cb -0.07 -4.07 0.13 0.00 2.01 0.00 0.00 34.83 32.83 1xwn s MET 100 CO 0.00 -1.83 0.98 0.00 -0.01 0.00 0.00 175.02 174.16 1xwn s ALA 101 N 5.23 3.97 0.35 3.03 0.00 -1.15 -3.44 121.76 129.75 1xwn s ALA 101 Ca 0.41 -1.93 -0.15 0.00 0.00 0.00 0.00 51.96 50.29 1xwn s ALA 101 Cb -0.08 -1.83 0.04 0.00 0.00 0.00 0.00 23.12 21.25 1xwn s ALA 101 CO 0.22 -1.42 0.71 0.54 0.00 0.00 0.00 175.76 175.82 1xwn s ASN 102 N -4.78 0.07 -0.11 0.00 2.20 -1.26 -4.35 114.94 106.72 1xwn s ASN 102 Ca 0.67 -1.08 0.06 0.00 -0.94 0.00 0.00 52.86 51.57 1xwn s ASN 102 Cb -0.04 0.79 -0.24 0.00 -2.00 0.00 0.00 41.25 39.75 1xwn s ASN 102 CO 0.44 -1.54 0.41 0.00 -2.94 0.00 0.00 177.10 173.47 1xwn n ALA 103 N -0.51 1.28 -3.33 3.54 0.00 -1.25 -5.00 120.51 115.24 1xwn n ALA 103 Ca -0.06 -0.81 -0.15 0.00 0.00 0.00 0.00 53.44 52.42 1xwn n ALA 103 Cb 0.60 -0.64 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 1xwn n ALA 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xwn s GLY 104 N -5.45 -0.30 0.34 0.00 0.00 -1.25 -5.11 107.32 95.55 1xwn s GLY 104 Ca -0.14 0.66 -0.26 0.00 0.00 0.00 0.00 44.72 44.98 1xwn s GLY 104 CO 0.79 0.40 0.98 -1.05 0.00 0.00 0.00 173.10 174.22 1xwn n PRO 105 N 1.16 1.31 -1.78 2.90 -0.02 -1.26 -1.53 135.00 135.78 1xwn n PRO 105 Ca -0.21 0.46 -0.18 0.00 -2.02 0.00 0.00 63.50 61.56 1xwn n PRO 105 Cb 0.56 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.10 1xwn n PRO 105 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xwn n ASP 106 N 1.00 -5.14 -3.02 2.55 8.00 -1.26 -4.92 116.55 113.76 1xwn n ASP 106 Ca 0.09 0.29 -0.13 0.00 0.71 0.00 0.00 54.79 55.76 1xwn n ASP 106 Cb 0.35 -4.20 -0.03 0.00 -0.02 0.00 0.00 41.12 37.22 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 -2.73 -0.48 -0.37 -3.53 2.01 -0.58 -4.20 115.64 105.75 1xwn s THR 107 Ca 0.00 -1.60 -0.15 0.00 0.31 0.00 0.00 61.69 60.25 1xwn s THR 107 Cb 0.00 -0.49 0.00 0.00 0.01 0.00 0.00 72.50 72.03 1xwn s THR 107 CO 0.00 -0.48 0.34 0.20 -0.69 0.00 0.00 174.62 173.99 1xwn s ASN 108 N 0.60 6.14 0.00 3.53 0.02 0.25 -3.86 114.94 121.63 1xwn s ASN 108 Ca 0.30 -0.50 0.00 0.00 -1.02 0.00 0.00 52.86 51.64 1xwn s ASN 108 Cb 0.01 -2.18 0.00 0.00 0.02 0.00 0.00 41.25 39.10 1xwn s ASN 108 CO -0.11 -0.40 0.00 0.61 0.02 0.00 0.00 177.10 177.23 1xwn n GLY 109 N 5.06 1.41 0.91 0.66 0.00 -1.26 -3.47 105.19 108.51 1xwn n GLY 109 Ca -0.10 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.92 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 0.03 -4.94 1.61 7.64 -1.26 -4.94 113.62 111.76 1xwn n SER 110 Ca 0.00 -1.78 -0.25 0.00 1.01 0.00 0.00 58.87 57.85 1xwn n SER 110 Cb 0.00 -0.06 0.01 0.00 -1.01 0.00 0.00 64.21 63.16 1xwn n SER 110 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xwn s GLN 111 N 0.00 3.10 0.32 1.43 -0.21 -1.26 -4.36 119.66 118.68 1xwn s GLN 111 Ca 0.10 -0.27 -0.09 0.00 0.02 0.00 0.00 55.36 55.12 1xwn s GLN 111 Cb 0.11 -2.46 0.01 0.00 1.00 0.00 0.00 33.01 31.67 1xwn s GLN 111 CO -0.05 -0.36 0.55 -0.59 -2.12 0.00 0.00 175.29 172.71 1xwn s PHE 112 N -2.69 0.62 -0.20 0.91 -0.71 -1.22 -2.93 117.98 111.77 1xwn s PHE 112 Ca 0.49 -0.99 -0.08 0.00 -1.04 0.00 0.00 56.93 55.31 1xwn s PHE 112 Cb -0.10 0.21 0.08 0.00 -1.21 0.00 0.00 43.02 42.00 1xwn s PHE 112 CO 0.41 -1.18 0.44 -0.59 -1.34 0.00 0.00 175.22 172.95 1xwn s PHE 113 N -3.22 -0.77 -0.41 3.49 -0.71 -1.15 -1.71 117.98 113.49 1xwn s PHE 113 Ca 0.24 1.51 -0.22 0.00 -1.04 0.00 0.00 56.93 57.43 1xwn s PHE 113 Cb -0.02 0.33 0.02 0.00 -1.21 0.00 0.00 43.02 42.14 1xwn s PHE 113 CO 0.15 -0.44 0.71 0.08 -1.34 0.00 0.00 175.22 174.38 1xwn s VAL 114 N 2.15 4.76 -0.21 -2.49 1.01 0.11 -3.17 120.40 122.57 1xwn s VAL 114 Ca -0.05 0.47 -0.29 0.00 0.00 0.00 0.00 61.98 62.11 1xwn s VAL 114 Cb -0.10 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.07 1xwn s VAL 114 CO -0.13 -0.54 1.05 0.42 0.00 0.00 0.00 175.10 175.90 1xwn s THR 115 N 3.00 4.66 -0.09 3.92 -4.23 0.13 -2.22 115.64 120.81 1xwn s THR 115 Ca 0.27 2.00 0.15 0.00 -1.18 0.00 0.00 61.69 62.93 1xwn s THR 115 Cb -0.13 -4.29 -0.23 0.00 1.34 0.00 0.00 72.50 69.19 1xwn s THR 115 CO 0.19 -0.15 0.20 0.00 -0.54 0.00 0.00 174.62 174.32 1xwn n LEU 116 N 6.18 0.00 -4.68 4.79 -0.00 -0.99 0.93 117.00 123.24 1xwn n LEU 116 Ca 0.12 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.87 1xwn n LEU 116 Cb 0.46 0.20 -0.07 0.00 -0.00 0.00 0.00 43.42 44.01 1xwn n LEU 116 CO 0.52 0.20 -0.31 0.00 -0.00 0.00 0.00 177.39 177.80 1xwn s ALA 117 N -2.75 3.24 0.12 1.47 0.00 -1.05 -4.26 121.76 118.53 1xwn s ALA 117 Ca -0.07 -1.44 -0.35 0.00 0.00 0.00 0.00 51.96 50.10 1xwn s ALA 117 Cb 0.08 -0.98 -0.16 0.00 0.00 0.00 0.00 23.12 22.06 1xwn s ALA 117 CO 0.67 0.41 1.38 -2.30 0.00 0.00 0.00 175.76 175.92 1xwn n PRO 118 N -0.40 1.45 -3.00 0.00 -0.02 -1.26 -3.93 135.00 127.84 1xwn n PRO 118 Ca -0.09 0.52 -0.15 0.00 -2.02 0.00 0.00 63.50 61.76 1xwn n PRO 118 Cb 0.56 -2.18 0.01 0.00 -0.02 0.00 0.00 33.50 31.87 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 2.58 -0.19 0.61 3.45 -2.24 -1.24 -4.92 114.28 112.34 1xwn n THR 119 Ca 0.17 -3.19 0.13 0.00 -2.27 0.00 0.00 64.05 58.89 1xwn n THR 119 Cb 0.23 0.19 0.31 0.00 -2.10 0.00 0.00 70.33 68.96 1xwn n THR 119 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xwn n GLN 120 N 0.67 0.27 0.02 -0.78 6.02 -1.26 -3.63 117.38 118.69 1xwn n GLN 120 Ca 0.17 0.16 -0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1xwn n GLN 120 Cb 0.65 -1.75 -0.09 0.00 1.02 0.00 0.00 30.24 30.07 1xwn n GLN 120 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.06 173.38 1xwn n TRP 121 N -2.19 0.93 1.99 1.08 2.14 -1.26 -3.91 117.44 116.22 1xwn n TRP 121 Ca 0.05 0.31 0.14 0.00 2.07 0.00 0.00 57.50 60.07 1xwn n TRP 121 Cb 0.43 -1.08 0.82 0.00 -0.81 0.00 0.00 31.31 30.68 1xwn n TRP 121 CO 0.00 0.00 0.00 1.28 2.07 0.00 0.00 177.69 181.04 1xwn n LEU 122 N -2.87 0.03 -4.53 5.67 4.77 -1.24 -4.68 117.00 114.15 1xwn n LEU 122 Ca -0.11 -0.01 -0.28 0.00 -0.03 0.00 0.00 56.01 55.59 1xwn n LEU 122 Cb 0.85 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.87 1xwn n LEU 122 CO 0.43 0.01 1.49 -0.90 -1.33 0.00 0.00 177.39 177.09 1xwn n ASP 123 N -0.91 2.87 0.00 -1.43 5.75 -1.25 -2.73 116.55 118.85 1xwn n ASP 123 Ca 0.21 -2.68 0.00 0.00 -0.01 0.00 0.00 54.79 52.31 1xwn n ASP 123 Cb 0.10 -1.71 0.00 0.00 -1.03 0.00 0.00 41.12 38.48 1xwn n ASP 123 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xwn n GLY 124 N 5.76 0.58 0.20 6.12 0.00 -1.26 -5.01 105.19 111.57 1xwn n GLY 124 Ca 0.45 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.40 -5.98 1.61 1.57 -1.87 -3.44 116.57 108.06 1xwn h LYS 125 Ca 0.00 0.03 -0.68 0.00 -1.87 0.00 0.00 60.65 58.13 1xwn h LYS 125 Cb 0.00 0.09 -0.19 0.00 0.08 0.00 0.00 32.23 32.21 1xwn h LYS 125 CO 0.00 -0.07 -0.68 -1.01 -0.57 0.00 0.00 179.45 177.12 1xwn s HIS 126 N -4.46 2.98 0.49 -1.35 3.76 -1.26 -5.02 115.29 110.43 1xwn s HIS 126 Ca -0.14 -0.01 -0.09 0.00 -0.15 0.00 0.00 55.06 54.66 1xwn s HIS 126 Cb 0.02 -1.76 -0.05 0.00 1.11 0.00 0.00 32.58 31.90 1xwn s HIS 126 CO 0.52 0.29 0.86 -0.08 -0.85 0.00 0.00 174.74 175.48 1xwn s THR 127 N -0.63 4.79 0.97 1.30 -1.32 -1.22 -4.91 115.64 114.61 1xwn s THR 127 Ca 0.10 0.59 -0.16 0.00 -1.21 0.00 0.00 61.69 61.00 1xwn s THR 127 Cb -0.12 -3.81 0.22 0.00 -1.51 0.00 0.00 72.50 67.29 1xwn s THR 127 CO 0.02 -0.79 1.30 0.00 -2.21 0.00 0.00 174.62 172.94 1xwn n ILE 128 N -1.99 0.00 0.00 5.08 3.06 -1.26 0.71 119.36 124.96 1xwn n ILE 128 Ca 0.03 -0.95 0.00 0.00 -2.50 0.00 0.00 62.75 59.33 1xwn n ILE 128 Cb 0.54 -1.51 0.00 0.00 0.54 0.00 0.00 39.64 39.21 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 -3.84 -0.35 -4.09 9.51 1.16 -0.99 -3.51 117.46 115.35 1xwn n PHE 129 Ca 0.16 0.00 -0.15 0.00 -1.87 0.00 0.00 57.45 55.60 1xwn n PHE 129 Cb 0.57 0.07 -0.04 0.00 -1.61 0.00 0.00 39.48 38.46 1xwn n PHE 129 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1xwn s GLY 130 N -1.29 1.48 0.03 4.97 0.00 -0.64 -3.42 107.32 108.45 1xwn s GLY 130 Ca 0.00 -1.52 -0.06 0.00 0.00 0.00 0.00 44.72 43.14 1xwn s GLY 130 CO 0.00 -1.01 0.11 -1.60 0.00 0.00 0.00 173.10 170.60 1xwn s ARG 131 N -3.13 0.58 -0.37 2.90 3.00 -0.69 -1.40 118.95 119.84 1xwn s ARG 131 Ca 0.31 -0.68 -0.06 0.00 -1.00 0.00 0.00 55.73 54.29 1xwn s ARG 131 Cb -0.00 0.23 0.06 0.00 0.00 0.00 0.00 34.95 35.24 1xwn s ARG 131 CO 0.20 -0.15 0.15 0.54 0.00 0.00 0.00 175.30 176.05 1xwn s VAL 132 N -2.38 3.77 -0.21 7.11 0.11 -1.22 0.64 120.40 128.22 1xwn s VAL 132 Ca -0.07 -1.36 -0.13 0.00 -2.93 0.00 0.00 61.98 57.50 1xwn s VAL 132 Cb -0.02 -3.25 -0.19 0.00 -1.53 0.00 0.00 36.38 31.39 1xwn s VAL 132 CO -0.03 -0.34 0.06 0.00 -3.33 0.00 0.00 175.10 171.46 1xwn s GLN 134 N -2.47 2.00 0.00 0.00 0.74 -1.23 -4.70 119.66 114.00 1xwn s GLN 134 Ca -0.30 -2.83 0.00 0.00 0.05 0.00 0.00 55.36 52.27 1xwn s GLN 134 Cb 0.09 -3.03 0.00 0.00 1.10 0.00 0.00 33.01 31.16 1xwn s GLN 134 CO 0.62 -1.23 0.00 0.41 -0.55 0.00 0.00 175.29 174.54 1xwn n GLY 135 N 2.59 0.10 0.42 2.59 0.00 -1.26 0.72 105.19 110.36 1xwn n GLY 135 Ca 0.15 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.52 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 0.08 -0.65 -0.61 2.10 -1.84 0.40 117.51 116.99 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 0.01 -0.04 0.00 -1.09 0.00 0.00 36.82 35.70 1xwn h ILE 136 CO 0.00 0.01 0.41 1.23 -1.08 0.00 0.00 178.15 178.73 1xwn h GLY 137 N 0.07 0.93 1.12 8.18 0.00 -1.95 -0.25 103.07 111.16 1xwn h GLY 137 Ca 0.84 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.76 1xwn h GLY 137 CO -0.53 0.29 0.04 1.98 0.00 0.00 0.00 176.54 178.32 1xwn h MET 138 N 0.83 1.06 -0.66 4.80 1.85 -0.55 -2.73 114.93 119.53 1xwn h MET 138 Ca 0.25 -0.31 -0.07 0.00 -0.61 0.00 0.00 59.70 58.96 1xwn h MET 138 Cb -0.03 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 31.87 1xwn h MET 138 CO -0.08 1.01 0.12 0.28 -0.40 0.00 0.00 176.91 177.84 1xwn h VAL 139 N 0.98 1.26 -0.20 -5.77 2.07 -1.10 -2.60 116.25 110.89 1xwn h VAL 139 Ca 0.18 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 1xwn h VAL 139 Cb 0.50 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1xwn h VAL 139 CO 0.02 0.38 0.06 0.78 0.02 0.00 0.00 177.57 178.83 1xwn h ASN 140 N 1.00 0.25 -0.39 0.57 2.35 -0.86 -1.82 115.58 116.68 1xwn h ASN 140 Ca 0.20 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1xwn h ASN 140 Cb 0.42 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 1xwn h ASN 140 CO 0.01 0.25 0.26 0.03 -1.65 0.00 0.00 177.43 176.33 1xwn h ARG 141 N 0.28 0.46 -0.26 0.81 3.08 -1.16 -1.15 114.38 116.44 1xwn h ARG 141 Ca 0.07 -0.03 0.06 0.00 0.07 0.00 0.00 59.98 60.16 1xwn h ARG 141 Cb 0.10 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 1xwn h ARG 141 CO -0.00 0.31 0.18 0.28 -1.07 0.00 0.00 179.97 179.66 1xwn h VAL 142 N 0.48 0.91 0.03 2.04 2.07 -1.36 -1.96 116.25 118.44 1xwn h VAL 142 Ca 0.15 -0.02 -0.30 0.00 0.82 0.00 0.00 66.70 67.35 1xwn h VAL 142 Cb 0.03 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 1xwn h VAL 142 CO -0.03 0.01 -1.73 1.23 0.02 0.00 0.00 177.57 177.07 1xwn h GLY 143 N 0.07 0.06 1.20 2.17 0.00 -1.35 -3.36 103.07 101.86 1xwn h GLY 143 Ca 0.12 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.34 1xwn h GLY 143 CO -0.01 0.14 0.44 -0.33 0.00 0.00 0.00 176.54 176.78 1xwn h MET 144 N 0.01 0.74 -7.17 4.80 2.07 -0.68 -3.43 114.93 111.26 1xwn h MET 144 Ca -0.30 -0.04 -0.41 0.00 -2.07 0.00 0.00 59.70 56.88 1xwn h MET 144 Cb 2.01 -0.17 0.20 0.00 -1.87 0.00 0.00 31.60 31.78 1xwn h MET 144 CO 0.09 0.49 -0.01 0.14 1.07 0.00 0.00 176.91 178.69 1xwn s VAL 145 N -5.67 1.52 0.82 -2.22 -7.23 -1.01 -5.03 120.40 101.57 1xwn s VAL 145 Ca -0.10 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 59.96 1xwn s VAL 145 Cb 0.19 -2.21 0.11 0.00 0.56 0.00 0.00 36.38 35.02 1xwn s VAL 145 CO 0.77 0.00 1.17 -0.70 -0.31 0.00 0.00 175.10 176.03 1xwn s GLU 146 N -5.04 1.68 0.25 4.82 -6.30 -1.26 -4.98 118.70 107.88 1xwn s GLU 146 Ca 0.69 -0.15 -0.08 0.00 -2.50 0.00 0.00 54.97 52.93 1xwn s GLU 146 Cb -0.15 -1.99 -0.01 0.00 0.00 0.00 0.00 34.13 31.98 1xwn s GLU 146 CO 0.59 -1.71 0.39 0.95 0.02 0.00 0.00 175.26 175.50 1xwn s THR 147 N -3.56 0.00 0.06 -1.70 -4.23 -1.26 -2.62 115.64 102.33 1xwn s THR 147 Ca 0.65 -1.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 1xwn s THR 147 Cb -0.09 -2.36 0.01 0.00 1.34 0.00 0.00 72.50 71.40 1xwn s THR 147 CO 0.49 0.00 0.07 0.59 -0.54 0.00 0.00 174.62 175.23 1xwn n ASN 148 N -0.53 0.75 -1.94 3.99 3.02 -0.22 -4.90 115.26 115.42 1xwn n ASN 148 Ca -0.00 -1.20 -0.18 0.00 -0.03 0.00 0.00 54.58 53.17 1xwn n ASN 148 Cb 0.63 -0.02 0.13 0.00 -0.61 0.00 0.00 39.78 39.91 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 -2.42 3.67 -1.50 6.41 3.41 -1.26 -4.03 113.62 117.89 1xwn n SER 149 Ca 0.01 -3.23 -0.03 0.00 -0.26 0.00 0.00 58.87 55.36 1xwn n SER 149 Cb 0.07 -0.77 -0.01 0.00 -0.26 0.00 0.00 64.21 63.25 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 -0.74 0.31 -3.26 4.33 3.00 -1.26 -5.03 117.38 114.73 1xwn n GLN 150 Ca 0.46 -1.51 -0.08 0.00 -0.01 0.00 0.00 57.00 55.86 1xwn n GLN 150 Cb 1.38 0.18 0.01 0.00 0.00 0.00 0.00 30.24 31.81 1xwn n GLN 150 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1xwn n ASP 151 N -0.10 -6.99 -3.50 1.08 -0.08 -1.26 -5.03 116.55 100.67 1xwn n ASP 151 Ca -0.14 -0.35 -0.10 0.00 -1.51 0.00 0.00 54.79 52.69 1xwn n ASP 151 Cb 0.86 -4.47 -0.09 0.00 2.34 0.00 0.00 41.12 39.76 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.13 0.12 0.00 0.00 177.20 177.19 1xwn s ARG 152 N -3.66 0.31 0.58 -0.67 0.52 -1.26 -4.56 118.95 110.21 1xwn s ARG 152 Ca 0.06 0.71 -0.18 0.00 -0.52 0.00 0.00 55.73 55.80 1xwn s ARG 152 Cb -0.01 -0.20 -0.04 0.00 0.52 0.00 0.00 34.95 35.22 1xwn s ARG 152 CO 0.79 -0.47 1.10 -1.25 0.02 0.00 0.00 175.30 175.48 1xwn s PRO 153 N 2.54 3.24 0.18 3.54 0.04 -1.26 -1.06 135.00 142.22 1xwn s PRO 153 Ca 0.06 1.43 -0.06 0.00 0.04 0.00 0.00 61.00 62.47 1xwn s PRO 153 Cb -0.14 -2.01 0.07 0.00 0.04 0.00 0.00 34.50 32.47 1xwn s PRO 153 CO -0.14 -0.91 1.52 0.28 0.04 0.00 0.00 177.00 177.80 1xwn h VAL 154 N 0.75 1.29 -3.16 -0.36 2.07 -1.85 -3.36 116.25 111.63 1xwn h VAL 154 Ca -0.48 -1.60 -0.64 0.00 0.82 0.00 0.00 66.70 64.79 1xwn h VAL 154 Cb 1.24 1.50 -0.40 0.00 -1.52 0.00 0.00 31.29 32.11 1xwn h VAL 154 CO 0.56 0.52 -0.44 -1.81 0.02 0.00 0.00 177.57 176.42 1xwn s ASP 155 N -6.86 5.15 0.56 0.57 1.11 -1.26 -5.09 116.67 110.84 1xwn s ASP 155 Ca -0.09 -3.79 -0.20 0.00 0.18 0.00 0.00 52.55 48.65 1xwn s ASP 155 Cb 0.12 -1.72 -0.07 0.00 1.07 0.00 0.00 42.92 42.32 1xwn s ASP 155 CO 0.86 -0.12 0.92 0.47 1.18 0.00 0.00 175.17 178.48 1xwn n ASP 156 N 2.11 0.68 -4.78 0.27 9.92 -1.26 -4.96 116.55 118.53 1xwn n ASP 156 Ca 0.20 0.85 -0.39 0.00 -0.53 0.00 0.00 54.79 54.92 1xwn n ASP 156 Cb 0.35 -1.36 -0.06 0.00 -0.64 0.00 0.00 41.12 39.42 1xwn n ASP 156 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1xwn s VAL 157 N -1.48 4.30 0.13 2.53 1.01 -1.26 -4.97 120.40 120.66 1xwn s VAL 157 Ca 0.72 1.76 0.08 0.00 0.00 0.00 0.00 61.98 64.54 1xwn s VAL 157 Cb -0.45 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 31.76 1xwn s VAL 157 CO 0.50 0.42 -0.18 -0.75 0.00 0.00 0.00 175.10 175.09 1xwn s LYS 158 N -1.40 1.14 -0.03 2.72 2.20 -1.26 -3.69 119.74 119.42 1xwn s LYS 158 Ca 0.40 -1.25 0.05 0.00 -0.36 0.00 0.00 55.97 54.80 1xwn s LYS 158 Cb -0.22 -1.25 -0.03 0.00 -1.51 0.00 0.00 37.83 34.82 1xwn s LYS 158 CO 0.27 0.27 -0.16 0.42 -0.36 0.00 0.00 175.35 175.78 1xwn s ILE 159 N -1.66 2.92 0.00 5.43 1.01 -0.31 0.37 121.20 128.95 1xwn s ILE 159 Ca 0.10 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.91 1xwn s ILE 159 Cb -0.08 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.25 1xwn s ILE 159 CO 0.05 0.55 0.00 2.30 0.00 0.00 0.00 174.94 177.84 1xwn n ILE 160 N 2.19 0.00 -4.08 2.92 -5.35 -0.92 -2.30 119.36 111.82 1xwn n ILE 160 Ca -0.17 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.22 1xwn n ILE 160 Cb 0.52 -0.61 -0.09 0.00 -1.74 0.00 0.00 39.64 37.72 1xwn n ILE 160 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1xwn s LYS 161 N -1.99 0.99 -0.43 6.28 2.20 0.15 -4.68 119.74 122.27 1xwn s LYS 161 Ca 0.00 -1.34 0.07 0.00 -0.36 0.00 0.00 55.97 54.33 1xwn s LYS 161 Cb 0.00 0.29 0.18 0.00 -1.51 0.00 0.00 37.83 36.78 1xwn s LYS 161 CO 0.00 -0.31 0.59 0.00 -0.36 0.00 0.00 175.35 175.27 1xwn s ALA 162 N -4.02 -1.73 -0.45 3.13 0.00 -1.26 -2.07 121.76 115.36 1xwn s ALA 162 Ca 0.21 -0.31 -0.15 0.00 0.00 0.00 0.00 51.96 51.72 1xwn s ALA 162 Cb 0.06 -2.54 0.06 0.00 0.00 0.00 0.00 23.12 20.70 1xwn s ALA 162 CO 0.01 -2.20 0.35 -0.47 0.00 0.00 0.00 175.76 173.45 1xwn s TYR 163 N 1.45 3.25 -0.93 0.00 5.04 -0.56 -4.80 117.35 120.81 1xwn s TYR 163 Ca 0.20 -0.91 -0.24 0.00 -2.44 0.00 0.00 57.07 53.68 1xwn s TYR 163 Cb -0.05 -2.98 0.04 0.00 0.35 0.00 0.00 41.96 39.32 1xwn s TYR 163 CO -0.06 -0.75 1.41 -1.25 -1.34 0.00 0.00 175.55 173.56 1xwn s PRO 164 N 1.63 3.44 0.17 4.97 0.04 -1.26 0.13 135.00 144.12 1xwn s PRO 164 Ca 0.04 -0.81 -0.12 0.00 0.04 0.00 0.00 61.00 60.14 1xwn s PRO 164 Cb -0.23 -4.97 0.01 0.00 0.04 0.00 0.00 34.50 29.34 1xwn s PRO 164 CO 0.07 -2.22 0.37 -1.12 0.04 0.00 0.00 177.00 174.15 1xwn s SER 165 N 4.67 -0.07 0.00 6.66 0.01 -0.64 -4.80 113.70 119.52 1xwn s SER 165 Ca 0.43 -0.71 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1xwn s SER 165 Cb -0.03 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1xwn s SER 165 CO -0.02 -0.95 0.00 0.61 0.41 0.00 0.00 173.24 173.30