#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 -3.26 0.21 3.04 0.00 -1.26 -5.08 121.76 115.41 1xwn s ALA 2 Ca 0.00 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.50 1xwn s ALA 2 Cb 0.00 -2.42 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1xwn s ALA 2 CO 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 175.76 174.38 1xwn n ALA 3 N 5.40 3.00 -1.98 0.00 0.00 -1.26 -5.07 120.51 120.60 1xwn n ALA 3 Ca -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.95 1xwn n ALA 3 Cb 0.53 0.10 -0.03 0.00 0.00 0.00 0.00 19.45 20.06 1xwn n ALA 3 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1xwn s ILE 4 N -1.98 2.77 -0.35 0.00 -4.36 -1.26 -4.95 121.20 111.06 1xwn s ILE 4 Ca 0.00 0.55 -0.29 0.00 -0.26 0.00 0.00 60.65 60.65 1xwn s ILE 4 Cb 0.00 -3.35 0.01 0.00 1.25 0.00 0.00 42.46 40.36 1xwn s ILE 4 CO 0.00 0.04 1.35 -2.16 0.24 0.00 0.00 174.94 174.41 1xwn s PRO 5 N 1.10 3.77 0.91 0.37 0.04 -1.26 -5.02 135.00 134.91 1xwn s PRO 5 Ca 0.69 1.10 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 1xwn s PRO 5 Cb -0.42 -3.94 0.14 0.00 0.04 0.00 0.00 34.50 30.31 1xwn s PRO 5 CO 0.31 -1.32 1.12 -2.14 0.04 0.00 0.00 177.00 175.02 1xwn s PRO 6 N 4.50 1.09 -0.10 0.56 0.02 -1.26 -5.00 135.00 134.82 1xwn s PRO 6 Ca 0.58 1.39 0.23 0.00 0.02 0.00 0.00 61.00 63.22 1xwn s PRO 6 Cb -0.15 -1.75 0.42 0.00 0.02 0.00 0.00 34.50 33.04 1xwn s PRO 6 CO 0.27 -2.53 1.15 -3.47 -0.33 0.00 0.00 177.00 172.10 1xwn n ASP 7 N -4.15 0.94 -3.64 2.53 -0.08 -1.26 -5.08 116.55 105.81 1xwn n ASP 7 Ca 0.10 -2.01 -0.10 0.00 -1.51 0.00 0.00 54.79 51.27 1xwn n ASP 7 Cb 0.53 -0.28 -0.07 0.00 2.34 0.00 0.00 41.12 43.64 1xwn n ASP 7 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1xwn s SER 8 N -2.46 -0.85 -0.16 1.67 0.01 -1.26 -5.16 113.70 105.50 1xwn s SER 8 Ca 0.28 1.47 -0.03 0.00 1.31 0.00 0.00 55.95 58.99 1xwn s SER 8 Cb 0.34 1.41 -0.02 0.00 0.21 0.00 0.00 66.02 67.97 1xwn s SER 8 CO -0.12 -0.24 -0.07 0.26 0.41 0.00 0.00 173.24 173.48 1xwn s TRP 9 N 1.04 2.94 -0.88 2.43 0.51 -1.26 -5.06 118.94 118.66 1xwn s TRP 9 Ca -0.05 -0.52 -0.02 0.00 -2.12 0.00 0.00 56.10 53.39 1xwn s TRP 9 Cb -0.05 -1.94 0.22 0.00 -0.81 0.00 0.00 33.47 30.88 1xwn s TRP 9 CO -0.10 -0.18 0.76 -0.65 -0.51 0.00 0.00 176.95 176.27 1xwn s GLN 10 N 0.55 3.26 -0.35 4.98 -0.21 -1.26 -5.05 119.66 121.57 1xwn s GLN 10 Ca -0.05 -3.19 -0.28 0.00 0.02 0.00 0.00 55.36 51.86 1xwn s GLN 10 Cb -0.15 -3.97 -0.03 0.00 1.00 0.00 0.00 33.01 29.86 1xwn s GLN 10 CO 0.03 -1.25 1.95 -1.25 -2.12 0.00 0.00 175.29 172.65 1xwn s PRO 11 N -1.19 3.10 0.09 2.91 0.04 -1.26 -4.79 135.00 133.89 1xwn s PRO 11 Ca 0.26 1.46 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 1xwn s PRO 11 Cb -0.09 -4.29 -0.11 0.00 0.04 0.00 0.00 34.50 30.05 1xwn s PRO 11 CO -0.11 -2.14 1.38 -1.35 0.04 0.00 0.00 177.00 174.81 1xwn h PRO 12 N 14.20 0.65 -5.23 0.56 0.11 -1.91 -3.46 132.00 136.93 1xwn h PRO 12 Ca -0.34 -0.38 -0.58 0.00 0.11 0.00 0.00 66.00 64.81 1xwn h PRO 12 Cb 1.19 0.03 -0.13 0.00 0.11 0.00 0.00 31.00 32.20 1xwn h PRO 12 CO 1.05 0.99 -0.55 -0.80 -0.21 0.00 0.00 178.00 178.48 1xwn s ASN 13 N -6.57 3.25 -0.13 -2.05 -0.87 -1.26 -2.64 114.94 104.67 1xwn s ASN 13 Ca -0.12 -1.55 -0.07 0.00 -1.57 0.00 0.00 52.86 49.55 1xwn s ASN 13 Cb 0.08 0.22 0.05 0.00 -0.02 0.00 0.00 41.25 41.58 1xwn s ASN 13 CO 0.83 -0.75 0.30 0.54 -2.57 0.00 0.00 177.10 175.44 1xwn s VAL 14 N -3.05 -0.03 -0.41 1.60 0.11 -0.40 -3.77 120.40 114.43 1xwn s VAL 14 Ca 0.23 0.13 -0.10 0.00 -2.93 0.00 0.00 61.98 59.31 1xwn s VAL 14 Cb 0.05 -0.45 0.06 0.00 -1.53 0.00 0.00 36.38 34.51 1xwn s VAL 14 CO 0.12 0.05 0.26 -0.31 -3.33 0.00 0.00 175.10 171.89 1xwn s TYR 15 N 1.27 3.30 -0.51 1.54 1.51 -0.73 -1.49 117.35 122.24 1xwn s TYR 15 Ca -0.09 -1.31 -0.23 0.00 -1.01 0.00 0.00 57.07 54.42 1xwn s TYR 15 Cb -0.09 -2.84 0.04 0.00 -0.11 0.00 0.00 41.96 38.95 1xwn s TYR 15 CO -0.10 -0.79 0.85 -0.51 -1.11 0.00 0.00 175.55 173.89 1xwn s LEU 16 N 1.48 4.27 -1.17 -1.29 1.02 -0.98 -0.29 118.68 121.72 1xwn s LEU 16 Ca 0.03 -0.35 -0.16 0.00 0.02 0.00 0.00 54.13 53.67 1xwn s LEU 16 Cb -0.22 -2.82 0.13 0.00 0.02 0.00 0.00 46.19 43.30 1xwn s LEU 16 CO 0.04 -1.08 1.46 -1.61 0.02 0.00 0.00 176.35 175.18 1xwn s GLU 17 N 3.55 3.96 0.50 1.70 2.02 -0.78 -3.23 118.70 126.41 1xwn s GLU 17 Ca 0.28 -2.21 -0.01 0.00 0.02 0.00 0.00 54.97 53.05 1xwn s GLU 17 Cb -0.13 -5.18 0.00 0.00 0.10 0.00 0.00 34.13 28.92 1xwn s GLU 17 CO 0.19 -1.92 0.74 0.95 0.02 0.00 0.00 175.26 175.24 1xwn s THR 18 N 2.63 3.73 0.23 3.63 -4.23 -0.67 -1.90 115.64 119.05 1xwn s THR 18 Ca 0.44 -0.41 -0.03 0.00 -1.18 0.00 0.00 61.69 60.51 1xwn s THR 18 Cb -0.01 -3.40 0.05 0.00 1.34 0.00 0.00 72.50 70.47 1xwn s THR 18 CO -0.00 -0.32 1.65 0.28 -0.54 0.00 0.00 174.62 175.70 1xwn h SER 19 N 0.22 0.75 -0.17 3.99 0.02 -0.22 -2.77 113.55 115.37 1xwn h SER 19 Ca -0.45 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.21 1xwn h SER 19 Cb 1.26 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 1xwn h SER 19 CO 0.57 0.94 0.03 -0.03 -1.14 0.00 0.00 176.83 177.21 1xwn h MET 20 N 0.66 0.37 0.00 3.45 1.85 -1.70 -3.47 114.93 116.08 1xwn h MET 20 Ca 0.10 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.13 1xwn h MET 20 Cb 0.69 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.66 1xwn h MET 20 CO 0.05 0.37 0.00 0.41 -0.40 0.00 0.00 176.91 177.34 1xwn n GLY 21 N -1.13 -0.58 2.89 1.39 0.00 -1.04 -5.09 105.19 101.62 1xwn n GLY 21 Ca 0.01 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.23 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 0.49 -0.01 -0.61 2.07 -1.26 -1.67 121.20 116.20 1xwn s ILE 22 Ca 0.00 -0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.14 1xwn s ILE 22 Cb 0.00 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 42.08 1xwn s ILE 22 CO 0.00 0.21 -0.02 0.27 -1.91 0.00 0.00 174.94 173.49 1xwn s ILE 23 N 0.87 0.22 -0.06 2.00 -4.36 -1.20 -4.73 121.20 113.95 1xwn s ILE 23 Ca -0.11 -0.04 -0.11 0.00 -0.26 0.00 0.00 60.65 60.13 1xwn s ILE 23 Cb -0.14 -0.24 -0.05 0.00 1.25 0.00 0.00 42.46 43.28 1xwn s ILE 23 CO 0.00 0.10 0.27 -0.69 0.24 0.00 0.00 174.94 174.87 1xwn s VAL 24 N 0.40 5.27 -0.00 8.37 1.01 0.23 -2.33 120.40 133.35 1xwn s VAL 24 Ca -0.04 0.50 0.04 0.00 0.00 0.00 0.00 61.98 62.48 1xwn s VAL 24 Cb -0.07 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 1xwn s VAL 24 CO -0.01 0.59 -0.12 -0.76 0.00 0.00 0.00 175.10 174.80 1xwn s LEU 25 N -1.09 2.05 -0.42 3.92 1.43 -0.55 -3.83 118.68 120.19 1xwn s LEU 25 Ca 0.20 -0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 52.91 1xwn s LEU 25 Cb -0.14 -0.60 0.05 0.00 0.03 0.00 0.00 46.19 45.52 1xwn s LEU 25 CO 0.09 0.12 0.30 -1.61 0.23 0.00 0.00 176.35 175.49 1xwn s GLU 26 N -0.42 2.89 0.28 1.70 2.02 -0.97 -1.28 118.70 122.92 1xwn s GLU 26 Ca 0.04 -1.19 -0.19 0.00 0.02 0.00 0.00 54.97 53.65 1xwn s GLU 26 Cb -0.05 -3.95 -0.09 0.00 0.10 0.00 0.00 34.13 30.14 1xwn s GLU 26 CO -0.00 -0.85 0.78 -0.51 0.02 0.00 0.00 175.26 174.69 1xwn s LEU 27 N 1.61 4.22 -0.96 1.80 1.43 -1.08 -1.13 118.68 124.56 1xwn s LEU 27 Ca 0.04 1.45 -0.24 0.00 -1.03 0.00 0.00 54.13 54.35 1xwn s LEU 27 Cb -0.21 -3.88 0.04 0.00 0.03 0.00 0.00 46.19 42.17 1xwn s LEU 27 CO 0.07 -0.09 1.42 -0.31 0.23 0.00 0.00 176.35 177.68 1xwn s TYR 28 N -1.74 2.47 -1.03 0.29 2.02 -1.20 -4.83 117.35 113.33 1xwn s TYR 28 Ca 0.49 -0.66 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 1xwn s TYR 28 Cb -0.14 -4.68 0.03 0.00 -0.40 0.00 0.00 41.96 36.77 1xwn s TYR 28 CO 0.19 -1.97 0.57 -2.67 -1.57 0.00 0.00 175.55 170.11 1xwn n TRP 29 N 9.05 0.07 0.00 2.71 4.27 -1.26 -1.93 117.44 130.36 1xwn n TRP 29 Ca 0.27 -0.02 0.00 0.00 -3.89 0.00 0.00 57.50 53.86 1xwn n TRP 29 Cb 0.51 -0.11 0.00 0.00 -1.36 0.00 0.00 31.31 30.35 1xwn n TRP 29 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1xwn n LYS 30 N -0.00 0.00 -0.00 -2.67 4.76 -1.26 -4.55 118.16 114.43 1xwn n LYS 30 Ca 0.01 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.55 1xwn n LYS 30 Cb 0.27 -0.38 -0.12 0.00 -1.84 0.00 0.00 35.03 32.96 1xwn n LYS 30 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1xwn n HIS 31 N -2.26 0.00 0.82 2.13 8.25 -1.26 -4.40 115.22 118.50 1xwn n HIS 31 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1xwn n HIS 31 Cb 0.00 -0.10 0.13 0.00 1.12 0.00 0.00 29.99 31.14 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 -1.63 2.45 -0.45 -1.41 0.00 -0.81 -4.61 120.51 114.05 1xwn n ALA 32 Ca 0.02 -0.77 0.38 0.00 0.00 0.00 0.00 53.44 53.07 1xwn n ALA 32 Cb 0.36 -0.83 0.66 0.00 0.00 0.00 0.00 19.45 19.64 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 4.64 0.05 0.79 0.00 0.11 -1.73 0.14 132.00 136.00 1xwn h PRO 33 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1xwn h PRO 33 Cb 1.00 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1xwn h PRO 33 CO 0.00 0.03 -0.48 -0.22 -0.21 0.00 0.00 178.00 177.12 1xwn h LYS 34 N 0.05 -1.15 -0.83 1.05 1.63 -1.91 0.12 116.57 115.54 1xwn h LYS 34 Ca 0.85 0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 60.71 1xwn h LYS 34 Cb 2.66 0.26 -0.04 0.00 -0.60 0.00 0.00 32.23 34.51 1xwn h LYS 34 CO -0.47 -0.76 0.42 1.15 -3.45 0.00 0.00 179.45 176.34 1xwn h THR 35 N -1.19 1.25 -0.35 1.00 2.02 -1.28 -2.53 112.91 111.84 1xwn h THR 35 Ca -0.11 -0.66 0.06 0.00 0.77 0.00 0.00 66.41 66.47 1xwn h THR 35 Cb 0.95 0.16 -0.05 0.00 -1.74 0.00 0.00 68.15 67.47 1xwn h THR 35 CO 0.11 0.29 0.03 0.00 0.37 0.00 0.00 175.52 176.32 1xwn h LYS 37 N 0.14 0.95 0.31 0.00 1.57 -0.43 -1.25 116.57 117.86 1xwn h LYS 37 Ca 0.17 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1xwn h LYS 37 Cb 0.22 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1xwn h LYS 37 CO -0.26 0.66 -0.22 -0.97 -0.57 0.00 0.00 179.45 178.09 1xwn h ASN 38 N 0.97 -0.57 -0.39 0.86 -1.24 -0.84 0.31 115.58 114.69 1xwn h ASN 38 Ca 0.26 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.30 1xwn h ASN 38 Cb -0.05 0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.16 1xwn h ASN 38 CO -0.05 -0.34 0.23 0.15 -1.29 0.00 0.00 177.43 176.12 1xwn h PHE 39 N -0.53 0.52 -0.84 0.67 3.04 -1.16 0.26 116.94 118.90 1xwn h PHE 39 Ca -0.03 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.92 1xwn h PHE 39 Cb 0.46 -0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.75 1xwn h PHE 39 CO -0.12 0.38 0.53 0.00 -2.02 0.00 0.00 178.31 177.09 1xwn h ALA 40 N 1.09 1.07 -0.09 2.41 0.00 -1.06 -1.85 119.26 120.83 1xwn h ALA 40 Ca 0.14 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 1xwn h ALA 40 Cb 0.02 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.48 1xwn h ALA 40 CO -0.02 0.51 -0.47 0.93 0.00 0.00 0.00 179.25 180.20 1xwn h GLU 41 N 1.15 0.48 -0.87 0.00 4.39 -0.09 -1.47 114.58 118.16 1xwn h GLU 41 Ca 0.31 -0.39 0.09 0.00 0.34 0.00 0.00 59.36 59.70 1xwn h GLU 41 Cb -0.09 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.58 1xwn h GLU 41 CO -0.06 1.02 0.57 -0.07 -1.16 0.00 0.00 179.01 179.31 1xwn h LEU 42 N 0.05 0.80 0.07 1.33 4.07 -0.32 0.09 115.31 121.39 1xwn h LEU 42 Ca -0.03 0.02 -0.25 0.00 0.08 0.00 0.00 57.88 57.69 1xwn h LEU 42 Cb 1.12 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.69 1xwn h LEU 42 CO 0.10 0.48 -1.19 0.00 -1.08 0.00 0.00 178.44 176.75 1xwn h ALA 43 N 1.55 0.25 -0.23 1.53 0.00 -1.36 0.13 119.26 121.14 1xwn h ALA 43 Ca 0.40 -0.95 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 1xwn h ALA 43 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xwn h ALA 43 CO -0.16 1.14 -0.03 0.00 0.00 0.00 0.00 179.25 180.19 1xwn h ARG 44 N 0.04 0.43 0.00 0.00 3.08 -0.42 -3.02 114.38 114.49 1xwn h ARG 44 Ca -0.10 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 59.74 1xwn h ARG 44 Cb 1.89 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.90 1xwn h ARG 44 CO 0.16 0.64 -0.27 0.07 -1.07 0.00 0.00 179.97 179.50 1xwn h ARG 45 N 0.18 0.00 0.00 0.04 0.11 -1.13 -3.47 114.38 110.11 1xwn h ARG 45 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1xwn h ARG 45 Cb 0.47 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.55 1xwn h ARG 45 CO 0.02 0.27 0.00 0.41 0.10 0.00 0.00 179.97 180.77 1xwn n GLY 46 N -0.57 1.38 0.12 0.08 0.00 -1.14 -5.05 105.19 100.01 1xwn n GLY 46 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 1xwn n GLY 46 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xwn n TYR 47 N -0.27 0.68 0.24 1.61 9.36 0.43 -4.28 117.16 124.94 1xwn n TYR 47 Ca 0.00 0.30 0.08 0.00 3.32 0.00 0.00 57.90 61.60 1xwn n TYR 47 Cb 0.00 -1.06 0.61 0.00 -0.63 0.00 0.00 39.34 38.26 1xwn n TYR 47 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1xwn h TYR 48 N -1.00 0.00 -2.64 2.98 0.05 -1.83 -3.42 116.97 111.11 1xwn h TYR 48 Ca -0.46 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 57.75 1xwn h TYR 48 Cb 1.40 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.12 1xwn h TYR 48 CO 0.03 0.12 1.21 -0.80 -1.05 0.00 0.00 178.16 177.67 1xwn s ASN 49 N -6.79 6.18 0.00 3.88 -0.87 -1.26 -2.78 114.94 113.31 1xwn s ASN 49 Ca -0.04 1.65 0.00 0.00 -1.57 0.00 0.00 52.86 52.90 1xwn s ASN 49 Cb 0.15 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.86 1xwn s ASN 49 CO 0.66 -1.41 0.00 0.61 -2.57 0.00 0.00 177.10 174.38 1xwn n GLY 50 N 4.94 1.57 3.33 0.66 0.00 -1.06 -5.03 105.19 109.60 1xwn n GLY 50 Ca 0.21 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 1xwn n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xwn s THR 51 N -2.00 1.82 0.30 2.61 -4.23 -1.12 -5.01 115.64 108.02 1xwn s THR 51 Ca 0.00 -1.89 0.03 0.00 -1.18 0.00 0.00 61.69 58.66 1xwn s THR 51 Cb 0.00 -1.82 -0.06 0.00 1.34 0.00 0.00 72.50 71.95 1xwn s THR 51 CO 0.00 -0.29 0.06 -1.59 -0.54 0.00 0.00 174.62 172.26 1xwn s LYS 52 N -2.72 1.58 -0.71 3.99 -2.85 -1.26 0.33 119.74 118.10 1xwn s LYS 52 Ca 0.15 -1.87 -0.24 0.00 -1.00 0.00 0.00 55.97 53.01 1xwn s LYS 52 Cb -0.06 -0.73 0.06 0.00 -2.06 0.00 0.00 37.83 35.04 1xwn s LYS 52 CO 0.06 -0.20 1.09 -0.06 0.10 0.00 0.00 175.35 176.34 1xwn s PHE 53 N -3.40 2.57 0.07 1.78 0.40 -1.16 -4.32 117.98 113.92 1xwn s PHE 53 Ca 0.36 -0.45 -0.13 0.00 -0.60 0.00 0.00 56.93 56.11 1xwn s PHE 53 Cb 0.08 -4.41 -0.25 0.00 0.51 0.00 0.00 43.02 38.95 1xwn s PHE 53 CO 0.15 -1.79 1.16 1.12 0.70 0.00 0.00 175.22 176.56 1xwn h HIS 54 N 9.68 0.98 -3.77 0.36 2.07 -1.88 -3.43 115.15 119.17 1xwn h HIS 54 Ca -0.24 -0.57 -0.66 0.00 -2.85 0.00 0.00 60.37 56.04 1xwn h HIS 54 Cb 1.06 -0.10 -0.19 0.00 2.57 0.00 0.00 27.41 30.75 1xwn h HIS 54 CO 1.04 1.41 -0.51 1.03 -3.07 0.00 0.00 177.93 177.83 1xwn s ARG 55 N -3.15 3.64 -0.05 5.12 1.81 -1.25 -4.29 118.95 120.78 1xwn s ARG 55 Ca -0.09 -0.53 -0.02 0.00 -1.72 0.00 0.00 55.73 53.36 1xwn s ARG 55 Cb 0.06 -3.69 0.04 0.00 -0.45 0.00 0.00 34.95 30.91 1xwn s ARG 55 CO 0.92 -0.33 0.09 0.42 -0.68 0.00 0.00 175.30 175.72 1xwn s ILE 56 N 1.71 -0.16 -0.23 1.52 1.01 -0.62 -1.80 121.20 122.63 1xwn s ILE 56 Ca 0.06 0.41 -0.01 0.00 0.00 0.00 0.00 60.65 61.11 1xwn s ILE 56 Cb -0.17 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.13 1xwn s ILE 56 CO 0.10 0.17 -0.09 -0.63 0.00 0.00 0.00 174.94 174.48 1xwn s ILE 57 N 2.21 2.70 0.07 2.92 1.01 0.15 -4.57 121.20 125.69 1xwn s ILE 57 Ca 0.04 -0.98 -0.36 0.00 0.00 0.00 0.00 60.65 59.36 1xwn s ILE 57 Cb -0.12 -2.32 -0.18 0.00 0.01 0.00 0.00 42.46 39.85 1xwn s ILE 57 CO -0.04 0.29 1.55 0.50 0.00 0.00 0.00 174.94 177.24 1xwn h LYS 58 N 7.99 -1.06 -2.89 2.79 3.64 -1.80 -2.52 116.57 122.73 1xwn h LYS 58 Ca -0.36 0.07 -0.73 0.00 -1.27 0.00 0.00 60.65 58.36 1xwn h LYS 58 Cb 1.12 0.24 -0.11 0.00 -0.41 0.00 0.00 32.23 33.07 1xwn h LYS 58 CO 0.58 -0.71 2.55 -0.25 -2.27 0.00 0.00 179.45 179.35 1xwn n ASP 59 N -5.51 7.42 0.00 4.20 8.00 -1.26 -4.54 116.55 124.86 1xwn n ASP 59 Ca -0.13 -3.05 0.00 0.00 0.71 0.00 0.00 54.79 52.31 1xwn n ASP 59 Cb 0.48 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 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 2.52 0.00 -3.84 1.24 7.35 -1.20 -5.07 117.46 118.46 1xwn n PHE 60 Ca 0.60 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 57.22 1xwn n PHE 60 Cb 0.27 0.00 -0.01 0.00 0.35 0.00 0.00 39.48 40.09 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 1.73 -0.11 -4.13 0.23 -0.95 -3.15 119.30 112.92 1xwn s MET 61 Ca 0.00 -0.98 0.01 0.00 -1.03 0.00 0.00 55.69 53.69 1xwn s MET 61 Cb 0.00 0.58 0.02 0.00 -1.53 0.00 0.00 34.83 33.89 1xwn s MET 61 CO 0.00 -0.79 -0.12 -1.50 -2.03 0.00 0.00 175.02 170.58 1xwn s ILE 62 N -3.64 1.28 0.20 3.16 -1.16 -0.59 -0.67 121.20 119.78 1xwn s ILE 62 Ca 0.12 -0.48 0.10 0.00 -0.51 0.00 0.00 60.65 59.88 1xwn s ILE 62 Cb -0.05 -1.22 -0.04 0.00 0.61 0.00 0.00 42.46 41.76 1xwn s ILE 62 CO 0.07 0.40 -0.17 0.00 -2.81 0.00 0.00 174.94 172.43 1xwn s GLN 63 N 1.30 1.79 -0.30 3.50 -2.07 -0.75 0.09 119.66 123.23 1xwn s GLN 63 Ca -0.01 -1.44 -0.01 0.00 -1.82 0.00 0.00 55.36 52.07 1xwn s GLN 63 Cb -0.14 -1.98 0.10 0.00 -1.09 0.00 0.00 33.01 29.90 1xwn s GLN 63 CO -0.05 0.40 0.10 0.20 -1.32 0.00 0.00 175.29 174.62 1xwn s GLY 64 N -2.87 0.97 0.51 2.60 0.00 0.52 -3.93 107.32 105.12 1xwn s GLY 64 Ca 0.24 -1.53 0.07 0.00 0.00 0.00 0.00 44.72 43.50 1xwn s GLY 64 CO 0.13 1.67 0.46 -0.32 0.00 0.00 0.00 173.10 175.04 1xwn s GLY 65 N 1.70 2.19 -0.40 0.20 0.00 -1.26 -3.14 107.32 106.61 1xwn s GLY 65 Ca 0.09 -1.62 0.09 0.00 0.00 0.00 0.00 44.72 43.27 1xwn s GLY 65 CO -0.26 -1.82 0.64 1.34 0.00 0.00 0.00 173.10 173.00 1xwn n ASP 66 N -1.78 -0.21 -4.64 1.64 2.03 -1.25 -4.63 116.55 107.71 1xwn n ASP 66 Ca 0.03 -2.89 -0.30 0.00 0.52 0.00 0.00 54.79 52.15 1xwn n ASP 66 Cb 0.63 -0.18 0.18 0.00 -0.72 0.00 0.00 41.12 41.03 1xwn n ASP 66 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1xwn s PRO 67 N -1.14 0.60 -0.45 -0.67 0.04 -1.26 -4.88 135.00 127.24 1xwn s PRO 67 Ca 0.35 1.18 0.04 0.00 0.04 0.00 0.00 61.00 62.61 1xwn s PRO 67 Cb 0.22 -1.71 0.44 0.00 0.04 0.00 0.00 34.50 33.49 1xwn s PRO 67 CO -0.12 -2.80 1.40 2.41 0.04 0.00 0.00 177.00 177.93 1xwn n THR 68 N -4.31 2.78 -0.36 1.26 -1.04 -1.26 -4.74 114.28 106.61 1xwn n THR 68 Ca 0.08 -4.22 -0.02 0.00 -2.04 0.00 0.00 64.05 57.85 1xwn n THR 68 Cb 0.53 -1.19 0.22 0.00 -1.82 0.00 0.00 70.33 68.08 1xwn n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xwn n GLY 69 N -0.66 2.91 0.08 3.41 0.00 -1.26 -4.03 105.19 105.64 1xwn n GLY 69 Ca 0.47 -0.66 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 1xwn n GLY 69 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xwn n THR 70 N 0.07 1.07 -0.20 2.61 -1.04 -1.26 -5.03 114.28 110.49 1xwn n THR 70 Ca 0.26 -0.64 0.00 0.00 -2.04 0.00 0.00 64.05 61.64 1xwn n THR 70 Cb 1.03 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1xwn n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xwn n GLY 71 N 2.09 1.73 1.46 3.41 0.00 -1.26 -4.99 105.19 107.64 1xwn n GLY 71 Ca -0.26 -0.10 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 1xwn n GLY 71 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xwn n ARG 72 N -1.11 0.37 -4.16 1.61 1.85 -1.26 -5.14 116.66 108.81 1xwn n ARG 72 Ca 0.00 -1.11 -0.24 0.00 -1.00 0.00 0.00 57.85 55.49 1xwn n ARG 72 Cb 0.05 0.44 -0.06 0.00 -1.05 0.00 0.00 32.46 31.84 1xwn n ARG 72 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1xwn s GLY 73 N -1.10 1.60 0.51 2.89 0.00 -1.26 -5.14 107.32 104.82 1xwn s GLY 73 Ca 0.04 -1.40 0.08 0.00 0.00 0.00 0.00 44.72 43.43 1xwn s GLY 73 CO -0.04 -1.43 0.70 -0.32 0.00 0.00 0.00 173.10 172.01 1xwn s GLY 74 N -3.44 1.84 0.41 0.20 0.00 -1.26 -5.09 107.32 99.98 1xwn s GLY 74 Ca 0.31 -1.86 -0.07 0.00 0.00 0.00 0.00 44.72 43.11 1xwn s GLY 74 CO 0.22 -1.52 0.73 0.00 0.00 0.00 0.00 173.10 172.53 1xwn s ALA 75 N -2.56 3.43 0.91 3.20 0.00 -1.26 -5.05 121.76 120.44 1xwn s ALA 75 Ca 0.59 -0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.00 1xwn s ALA 75 Cb -0.08 -2.56 0.14 0.00 0.00 0.00 0.00 23.12 20.62 1xwn s ALA 75 CO 0.37 -0.10 1.17 0.45 0.00 0.00 0.00 175.76 177.65 1xwn s SER 76 N -3.58 3.53 0.19 0.00 0.15 -1.25 -4.99 113.70 107.76 1xwn s SER 76 Ca 0.48 0.79 0.01 0.00 0.70 0.00 0.00 55.95 57.92 1xwn s SER 76 Cb -0.10 -1.24 0.11 0.00 -1.71 0.00 0.00 66.02 63.08 1xwn s SER 76 CO 0.37 -2.52 1.47 -0.29 1.20 0.00 0.00 173.24 173.46 1xwn h ILE 77 N -1.48 1.39 -0.99 6.45 2.10 -1.98 -3.18 117.51 119.82 1xwn h ILE 77 Ca -0.48 -2.14 -0.62 0.00 1.08 0.00 0.00 64.86 62.70 1xwn h ILE 77 Cb 1.31 2.11 -0.30 0.00 -1.09 0.00 0.00 36.82 38.86 1xwn h ILE 77 CO 0.57 0.64 0.78 -1.22 -1.08 0.00 0.00 178.15 177.84 1xwn n TYR 78 N -3.83 3.17 0.00 2.19 4.01 -1.26 -5.03 117.16 116.40 1xwn n TYR 78 Ca -0.04 -2.64 0.00 0.00 -0.16 0.00 0.00 57.90 55.06 1xwn n TYR 78 Cb 0.69 -1.28 0.00 0.00 -0.31 0.00 0.00 39.34 38.44 1xwn n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xwn n GLY 79 N -0.99 -0.46 0.15 2.72 0.00 -1.20 -4.72 105.19 100.69 1xwn n GLY 79 Ca 0.62 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.78 1xwn n GLY 79 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xwn h LYS 80 N 0.00 -0.27 -3.67 1.61 1.63 -1.95 -3.31 116.57 110.61 1xwn h LYS 80 Ca 0.00 0.02 -0.20 0.00 -0.85 0.00 0.00 60.65 59.62 1xwn h LYS 80 Cb 0.00 0.06 -0.25 0.00 -0.60 0.00 0.00 32.23 31.44 1xwn h LYS 80 CO 0.00 -0.07 -0.64 1.14 -3.45 0.00 0.00 179.45 176.42 1xwn s GLN 81 N -5.55 0.17 0.26 1.90 -2.07 -1.26 -4.77 119.66 108.34 1xwn s GLN 81 Ca -0.15 -0.12 0.02 0.00 -1.82 0.00 0.00 55.36 53.30 1xwn s GLN 81 Cb 0.04 0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 1xwn s GLN 81 CO 0.63 -0.03 0.17 -0.59 -1.32 0.00 0.00 175.29 174.15 1xwn s PHE 82 N -0.45 1.45 0.96 9.60 -0.71 -1.26 -4.83 117.98 122.75 1xwn s PHE 82 Ca -0.05 -1.44 -0.14 0.00 -1.04 0.00 0.00 56.93 54.25 1xwn s PHE 82 Cb -0.03 -0.70 0.17 0.00 -1.21 0.00 0.00 43.02 41.25 1xwn s PHE 82 CO 0.00 -0.65 1.19 -1.21 -1.34 0.00 0.00 175.22 173.21 1xwn s GLU 83 N -3.88 0.73 0.97 1.99 2.02 -1.25 -0.71 118.70 118.57 1xwn s GLU 83 Ca 0.38 0.02 -0.16 0.00 0.02 0.00 0.00 54.97 55.23 1xwn s GLU 83 Cb 0.05 -1.82 0.21 0.00 0.10 0.00 0.00 34.13 32.67 1xwn s GLU 83 CO 0.18 -2.42 1.33 0.16 0.02 0.00 0.00 175.26 174.52 1xwn s ASP 84 N -4.32 3.06 -0.50 -0.19 1.47 -1.26 -4.74 116.67 110.19 1xwn s ASP 84 Ca 0.67 0.23 0.06 0.00 1.18 0.00 0.00 52.55 54.70 1xwn s ASP 84 Cb -0.10 -0.25 0.23 0.00 -0.34 0.00 0.00 42.92 42.45 1xwn s ASP 84 CO 0.53 -2.77 0.55 -0.62 0.68 0.00 0.00 175.17 173.54 1xwn n GLU 85 N -3.78 1.25 -3.35 2.11 1.02 -1.26 -5.07 120.64 111.57 1xwn n GLU 85 Ca 0.16 -3.76 -0.44 0.00 -0.02 0.00 0.00 57.16 53.09 1xwn n GLU 85 Cb 0.59 -1.70 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 1xwn n GLU 85 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1xwn s LEU 86 N -1.36 5.58 0.00 -4.62 2.01 -1.26 -4.57 118.68 114.47 1xwn s LEU 86 Ca 0.35 -1.31 0.00 0.00 0.01 0.00 0.00 54.13 53.18 1xwn s LEU 86 Cb 0.12 -2.22 0.00 0.00 0.01 0.00 0.00 46.19 44.10 1xwn s LEU 86 CO -0.11 -0.70 0.00 1.57 1.01 0.00 0.00 176.35 178.12 1xwn n HIS 87 N 5.35 -1.08 -1.46 0.29 -0.00 -1.26 -5.15 115.22 111.91 1xwn n HIS 87 Ca -0.12 0.01 -0.38 0.00 0.46 0.00 0.00 57.72 57.69 1xwn n HIS 87 Cb 0.44 0.23 0.04 0.00 -0.12 0.00 0.00 29.99 30.57 1xwn n HIS 87 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1xwn n PRO 88 N -2.43 0.49 -2.28 1.57 -0.02 -1.26 -4.83 135.00 126.24 1xwn n PRO 88 Ca 0.00 0.19 -0.36 0.00 -2.02 0.00 0.00 63.50 61.31 1xwn n PRO 88 Cb 0.00 -1.67 -0.04 0.00 -0.02 0.00 0.00 33.50 31.77 1xwn n PRO 88 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xwn s ASP 89 N -1.16 5.73 0.64 2.55 1.11 -1.26 -4.97 116.67 119.30 1xwn s ASP 89 Ca 0.68 -0.54 -0.02 0.00 0.18 0.00 0.00 52.55 52.85 1xwn s ASP 89 Cb -0.45 -2.55 0.08 0.00 1.07 0.00 0.00 42.92 41.07 1xwn s ASP 89 CO 0.55 -2.15 0.54 0.18 1.18 0.00 0.00 175.17 175.47 1xwn n LEU 90 N 11.40 0.00 0.00 1.23 4.77 -1.26 -5.09 117.00 128.05 1xwn n LEU 90 Ca 0.25 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1xwn n LEU 90 Cb 0.50 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1xwn n LEU 90 CO 0.67 -0.79 0.00 2.29 -1.33 0.00 0.00 177.39 178.23 1xwn n LYS 91 N -2.03 0.00 -3.05 3.23 2.85 -1.26 -5.09 118.16 112.82 1xwn n LYS 91 Ca 0.08 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.23 1xwn n LYS 91 Cb 0.30 0.00 0.05 0.00 -0.65 0.00 0.00 35.03 34.73 1xwn n LYS 91 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 1xwn n PHE 92 N -2.51 -2.28 -0.21 5.58 3.01 -1.26 -4.91 117.46 114.88 1xwn n PHE 92 Ca 0.00 0.80 0.06 0.00 1.01 0.00 0.00 57.45 59.32 1xwn n PHE 92 Cb 0.00 -3.95 0.32 0.00 -0.01 0.00 0.00 39.48 35.84 1xwn n PHE 92 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1xwn h THR 93 N -0.79 1.04 0.00 4.37 1.35 -1.95 -3.37 112.91 113.55 1xwn h THR 93 Ca -0.48 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1xwn h THR 93 Cb 1.24 0.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1xwn h THR 93 CO 0.38 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 1xwn n GLY 94 N -1.43 0.07 3.74 5.82 0.00 -1.26 -4.61 105.19 107.51 1xwn n GLY 94 Ca 0.11 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.00 3.46 -0.12 4.61 0.00 -1.25 -3.91 121.76 123.55 1xwn s ALA 95 Ca 0.00 0.99 -0.00 0.00 0.00 0.00 0.00 51.96 52.95 1xwn s ALA 95 Cb 0.00 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.69 1xwn s ALA 95 CO 0.00 -0.41 0.10 0.41 0.00 0.00 0.00 175.76 175.86 1xwn n GLY 96 N 2.16 0.45 2.95 0.00 0.00 0.14 -4.98 105.19 105.91 1xwn n GLY 96 Ca 0.04 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.04 0.42 -0.09 -0.61 -1.09 -1.21 -2.20 121.20 113.38 1xwn s ILE 97 Ca 0.01 -0.21 0.02 0.00 -2.23 0.00 0.00 60.65 58.25 1xwn s ILE 97 Cb -0.00 -0.37 -0.02 0.00 -1.58 0.00 0.00 42.46 40.49 1xwn s ILE 97 CO 0.08 0.13 -0.16 -0.22 -1.23 0.00 0.00 174.94 173.54 1xwn s LEU 98 N 0.01 2.59 0.06 2.97 2.96 -0.99 -1.07 118.68 125.22 1xwn s LEU 98 Ca 0.00 -0.33 0.03 0.00 -0.22 0.00 0.00 54.13 53.62 1xwn s LEU 98 Cb -0.04 -1.55 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 1xwn s LEU 98 CO -0.00 0.23 -0.10 0.00 -1.32 0.00 0.00 176.35 175.16 1xwn s ALA 99 N -0.05 0.85 -0.31 5.97 0.00 -1.15 -1.81 121.76 125.26 1xwn s ALA 99 Ca -0.04 -0.94 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 1xwn s ALA 99 Cb -0.14 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1xwn s ALA 99 CO 0.04 0.01 1.10 1.41 0.00 0.00 0.00 175.76 178.32 1xwn s MET 100 N -1.99 4.05 0.59 0.00 1.75 0.21 -2.92 119.30 121.00 1xwn s MET 100 Ca -0.04 1.10 -0.12 0.00 -1.25 0.00 0.00 55.69 55.38 1xwn s MET 100 Cb -0.08 -3.75 -0.05 0.00 2.84 0.00 0.00 34.83 33.79 1xwn s MET 100 CO 0.00 -0.92 1.02 0.00 -0.65 0.00 0.00 175.02 174.47 1xwn s ALA 101 N 3.72 3.09 0.44 4.11 0.00 -1.21 -3.31 121.76 128.60 1xwn s ALA 101 Ca 0.47 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.46 1xwn s ALA 101 Cb -0.13 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.85 1xwn s ALA 101 CO 0.16 -0.58 0.02 -0.80 0.00 0.00 0.00 175.76 174.56 1xwn s ASN 102 N -3.88 3.82 -0.12 0.00 0.01 -1.26 -4.09 114.94 109.42 1xwn s ASN 102 Ca 0.56 -1.49 -0.02 0.00 -0.71 0.00 0.00 52.86 51.20 1xwn s ASN 102 Cb -0.11 0.00 -0.07 0.00 0.41 0.00 0.00 41.25 41.49 1xwn s ASN 102 CO 0.48 -0.63 -0.12 0.00 -1.51 0.00 0.00 177.10 175.31 1xwn n ALA 103 N -1.06 1.94 -3.78 0.60 0.00 -0.27 -4.87 120.51 113.07 1xwn n ALA 103 Ca -0.10 -0.49 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 1xwn n ALA 103 Cb 0.67 0.28 0.02 0.00 0.00 0.00 0.00 19.45 20.42 1xwn n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwn n GLY 104 N 2.67 1.13 3.53 0.00 0.00 -0.88 -5.02 105.19 106.62 1xwn n GLY 104 Ca -0.22 -1.28 -0.51 0.00 0.00 0.00 0.00 46.02 44.01 1xwn n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xwn n PRO 105 N -0.51 1.32 -2.47 1.61 -0.02 -1.26 -0.15 135.00 133.51 1xwn n PRO 105 Ca -0.08 0.41 -0.20 0.00 -2.02 0.00 0.00 63.50 61.61 1xwn n PRO 105 Cb 0.57 -2.48 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 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 8.73 -5.75 -3.72 2.55 9.92 -1.26 -4.95 116.55 122.07 1xwn n ASP 106 Ca 0.35 -0.03 -0.30 0.00 -0.53 0.00 0.00 54.79 54.29 1xwn n ASP 106 Cb 0.24 -4.78 -0.13 0.00 -0.64 0.00 0.00 41.12 35.81 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 -3.02 1.36 0.61 -3.53 2.01 0.78 -3.88 115.64 109.98 1xwn s THR 107 Ca 0.03 -2.46 -0.09 0.00 0.31 0.00 0.00 61.69 59.49 1xwn s THR 107 Cb -0.01 -1.96 -0.01 0.00 0.01 0.00 0.00 72.50 70.53 1xwn s THR 107 CO 0.04 -0.88 0.97 0.20 -0.69 0.00 0.00 174.62 174.26 1xwn s ASN 108 N 0.46 5.81 0.00 3.53 0.01 0.11 -1.12 114.94 123.75 1xwn s ASN 108 Ca 0.17 1.03 0.00 0.00 -0.71 0.00 0.00 52.86 53.35 1xwn s ASN 108 Cb -0.24 -2.04 0.00 0.00 0.41 0.00 0.00 41.25 39.38 1xwn s ASN 108 CO -0.01 -1.01 0.00 0.61 -1.51 0.00 0.00 177.10 175.17 1xwn n GLY 109 N -2.69 5.51 2.30 0.66 0.00 -1.26 -4.13 105.19 105.59 1xwn n GLY 109 Ca 0.05 -1.16 -0.17 0.00 0.00 0.00 0.00 46.02 44.73 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 1.18 -3.92 1.61 7.64 -1.26 -5.03 113.62 113.83 1xwn n SER 110 Ca 0.00 -3.02 -0.24 0.00 1.01 0.00 0.00 58.87 56.63 1xwn n SER 110 Cb 0.00 -0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 62.52 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 -2.60 1.87 0.11 1.43 -0.21 -1.26 -3.94 119.66 115.05 1xwn s GLN 111 Ca 0.39 -2.13 -0.25 0.00 0.02 0.00 0.00 55.36 53.39 1xwn s GLN 111 Cb 0.36 -0.35 0.07 0.00 1.00 0.00 0.00 33.01 34.09 1xwn s GLN 111 CO -0.07 -0.52 0.63 -0.59 -2.12 0.00 0.00 175.29 172.62 1xwn s PHE 112 N -3.29 -0.55 -0.02 0.91 -0.71 -1.19 -3.30 117.98 109.83 1xwn s PHE 112 Ca 0.28 0.48 0.01 0.00 -1.04 0.00 0.00 56.93 56.66 1xwn s PHE 112 Cb 0.02 0.53 0.02 0.00 -1.21 0.00 0.00 43.02 42.38 1xwn s PHE 112 CO 0.18 -0.78 -0.01 -0.59 -1.34 0.00 0.00 175.22 172.67 1xwn s PHE 113 N -3.21 0.35 -0.34 3.49 -0.71 -1.15 -0.35 117.98 116.06 1xwn s PHE 113 Ca -0.01 -0.04 -0.12 0.00 -1.04 0.00 0.00 56.93 55.72 1xwn s PHE 113 Cb -0.01 -0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 41.43 1xwn s PHE 113 CO -0.08 -0.09 0.22 0.08 -1.34 0.00 0.00 175.22 174.00 1xwn s VAL 114 N 0.66 5.07 -0.39 -2.49 1.01 0.11 -2.91 120.40 121.47 1xwn s VAL 114 Ca -0.07 -0.34 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1xwn s VAL 114 Cb -0.10 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1xwn s VAL 114 CO -0.01 -0.03 1.11 0.42 0.00 0.00 0.00 175.10 176.59 1xwn s THR 115 N 1.68 4.37 -0.18 3.92 -4.23 -0.23 -1.53 115.64 119.44 1xwn s THR 115 Ca 0.05 1.51 0.18 0.00 -1.18 0.00 0.00 61.69 62.25 1xwn s THR 115 Cb -0.18 -4.50 -0.02 0.00 1.34 0.00 0.00 72.50 69.15 1xwn s THR 115 CO 0.09 -0.71 1.09 0.17 -0.54 0.00 0.00 174.62 174.72 1xwn h LEU 116 N 10.60 0.00 -9.47 4.79 8.10 -1.79 0.39 115.31 127.93 1xwn h LEU 116 Ca -0.22 0.00 -0.61 0.00 0.11 0.00 0.00 57.88 57.16 1xwn h LEU 116 Cb 1.06 0.00 -0.13 0.00 -0.44 0.00 0.00 40.66 41.15 1xwn h LEU 116 CO 1.08 0.38 -0.67 0.00 -4.11 0.00 0.00 178.44 175.12 1xwn s ALA 117 N -3.05 3.01 0.08 0.17 0.00 -1.20 -4.32 121.76 116.45 1xwn s ALA 117 Ca 0.00 -2.07 -0.32 0.00 0.00 0.00 0.00 51.96 49.57 1xwn s ALA 117 Cb 0.08 -0.11 -0.11 0.00 0.00 0.00 0.00 23.12 22.98 1xwn s ALA 117 CO 0.78 0.08 1.82 -0.35 0.00 0.00 0.00 175.76 178.08 1xwn n PRO 118 N -0.83 2.58 -2.69 0.00 -0.04 -1.26 -3.74 135.00 129.01 1xwn n PRO 118 Ca -0.05 0.94 -0.07 0.00 -0.04 0.00 0.00 63.50 64.28 1xwn n PRO 118 Cb 0.63 -2.81 0.04 0.00 -0.04 0.00 0.00 33.50 31.33 1xwn n PRO 118 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xwn n THR 119 N 4.64 0.95 -0.04 0.52 -2.24 -1.26 -4.91 114.28 111.93 1xwn n THR 119 Ca 0.19 -2.88 -0.02 0.00 -2.27 0.00 0.00 64.05 59.07 1xwn n THR 119 Cb 0.35 0.81 0.25 0.00 -2.10 0.00 0.00 70.33 69.63 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 2.83 0.62 0.00 -0.78 4.20 -1.84 -2.23 115.11 117.91 1xwn h GLN 120 Ca -0.13 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 1xwn h GLN 120 Cb 1.21 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1xwn h GLN 120 CO 0.39 0.64 -0.22 0.11 -0.67 0.00 0.00 178.83 179.09 1xwn h TRP 121 N 0.59 0.00 0.00 2.96 0.09 -1.92 -1.99 115.95 115.67 1xwn h TRP 121 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.10 1xwn h TRP 121 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.62 1xwn h TRP 121 CO 0.02 0.22 0.00 1.28 0.09 0.00 0.00 178.44 180.05 1xwn n LEU 122 N -3.97 0.00 -4.57 0.11 4.77 -0.84 -4.60 117.00 107.90 1xwn n LEU 122 Ca -0.02 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.64 1xwn n LEU 122 Cb 0.30 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.35 1xwn n LEU 122 CO 0.35 0.00 1.64 -0.67 -1.33 0.00 0.00 177.39 177.38 1xwn n ASP 123 N -0.99 3.59 0.00 -1.43 2.03 -0.75 -3.08 116.55 115.91 1xwn n ASP 123 Ca 0.22 -2.76 0.00 0.00 0.52 0.00 0.00 54.79 52.77 1xwn n ASP 123 Cb 0.10 -1.74 0.00 0.00 -0.72 0.00 0.00 41.12 38.76 1xwn n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xwn n GLY 124 N 5.66 -0.19 0.23 0.27 0.00 -1.26 -4.98 105.19 104.92 1xwn n GLY 124 Ca 0.46 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.38 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 0.75 -5.66 1.61 1.57 -1.89 -3.43 116.57 109.53 1xwn h LYS 125 Ca 0.00 -0.21 -0.62 0.00 -1.87 0.00 0.00 60.65 57.95 1xwn h LYS 125 Cb 0.00 -0.08 -0.31 0.00 0.08 0.00 0.00 32.23 31.92 1xwn h LYS 125 CO 0.00 0.79 -0.86 -1.01 -0.57 0.00 0.00 179.45 177.80 1xwn s HIS 126 N -5.14 2.01 0.63 -1.35 3.76 -1.26 -4.89 115.29 109.05 1xwn s HIS 126 Ca -0.13 -0.57 -0.11 0.00 -0.15 0.00 0.00 55.06 54.11 1xwn s HIS 126 Cb 0.11 -1.33 -0.03 0.00 1.11 0.00 0.00 32.58 32.44 1xwn s HIS 126 CO 0.79 -0.17 1.04 0.99 -0.85 0.00 0.00 174.74 176.54 1xwn s THR 127 N -0.10 4.49 0.96 1.30 2.01 -1.21 -4.84 115.64 118.26 1xwn s THR 127 Ca -0.02 0.79 -0.16 0.00 0.31 0.00 0.00 61.69 62.60 1xwn s THR 127 Cb -0.12 -3.80 0.22 0.00 0.01 0.00 0.00 72.50 68.82 1xwn s THR 127 CO 0.02 -1.05 1.28 0.00 -0.69 0.00 0.00 174.62 174.18 1xwn n ILE 128 N -2.79 0.00 0.00 1.82 3.06 -1.26 0.67 119.36 120.86 1xwn n ILE 128 Ca 0.06 -0.92 0.00 0.00 -2.50 0.00 0.00 62.75 59.39 1xwn n ILE 128 Cb 0.55 -1.51 0.00 0.00 0.54 0.00 0.00 39.64 39.22 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 -3.85 0.00 -4.29 9.51 1.16 -1.15 -3.45 117.46 115.39 1xwn n PHE 129 Ca 0.16 0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.54 1xwn n PHE 129 Cb 0.56 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.35 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 -0.54 2.94 3.23 4.97 0.00 -0.75 -3.24 105.19 111.81 1xwn n GLY 130 Ca 0.00 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 1xwn n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwn s ARG 131 N -3.35 1.20 -0.40 1.61 0.52 -0.29 -2.34 118.95 115.90 1xwn s ARG 131 Ca 0.38 -1.62 0.01 0.00 -0.52 0.00 0.00 55.73 53.99 1xwn s ARG 131 Cb 0.02 -0.00 0.13 0.00 0.52 0.00 0.00 34.95 35.62 1xwn s ARG 131 CO 0.27 -0.29 0.21 0.08 0.02 0.00 0.00 175.30 175.59 1xwn s VAL 132 N -3.92 1.18 -0.17 3.52 1.01 -0.94 -2.29 120.40 118.79 1xwn s VAL 132 Ca 0.33 -2.24 -0.06 0.00 0.00 0.00 0.00 61.98 60.00 1xwn s VAL 132 Cb 0.07 -1.84 -0.22 0.00 0.00 0.00 0.00 36.38 34.39 1xwn s VAL 132 CO 0.09 -0.86 0.15 0.00 0.00 0.00 0.00 175.10 174.48 1xwn s GLN 134 N -2.52 0.90 0.00 0.00 -0.21 -1.25 -4.78 119.66 111.79 1xwn s GLN 134 Ca -0.27 -0.97 0.00 0.00 0.02 0.00 0.00 55.36 54.14 1xwn s GLN 134 Cb 0.08 -2.19 0.00 0.00 1.00 0.00 0.00 33.01 31.89 1xwn s GLN 134 CO 0.69 -0.85 0.00 0.41 -2.12 0.00 0.00 175.29 173.42 1xwn n GLY 135 N 4.82 0.63 0.41 3.09 0.00 -1.26 0.76 105.19 113.65 1xwn n GLY 135 Ca -0.05 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.21 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 0.48 0.00 -0.61 2.10 -1.86 0.40 117.51 118.02 1xwn h ILE 136 Ca 0.00 -0.12 -0.01 0.00 1.08 0.00 0.00 64.86 65.80 1xwn h ILE 136 Cb 0.00 0.08 -0.00 0.00 -1.09 0.00 0.00 36.82 35.81 1xwn h ILE 136 CO 0.00 0.07 -0.07 1.23 -1.08 0.00 0.00 178.15 178.30 1xwn h GLY 137 N 0.36 0.00 0.81 8.18 0.00 -1.96 0.13 103.07 110.59 1xwn h GLY 137 Ca 0.62 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.64 1xwn h GLY 137 CO -0.32 0.00 -1.83 -0.13 0.00 0.00 0.00 176.54 174.26 1xwn n MET 138 N -3.61 0.66 -0.03 4.80 0.00 0.13 -3.43 117.12 115.64 1xwn n MET 138 Ca -0.02 0.27 -0.14 0.00 -0.00 0.00 0.00 57.70 57.81 1xwn n MET 138 Cb 0.18 -1.75 -0.11 0.00 0.00 0.00 0.00 33.22 31.54 1xwn n MET 138 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1xwn h VAL 139 N 0.02 1.52 -0.11 1.12 2.07 -0.85 -3.23 116.25 116.79 1xwn h VAL 139 Ca -0.34 -1.69 -0.06 0.00 0.82 0.00 0.00 66.70 65.44 1xwn h VAL 139 Cb 2.03 2.59 -0.01 0.00 -1.52 0.00 0.00 31.29 34.38 1xwn h VAL 139 CO 0.07 0.45 -0.19 -0.55 0.02 0.00 0.00 177.57 177.38 1xwn h ASN 140 N -0.53 0.17 -0.45 0.57 -1.07 -0.95 -2.56 115.58 110.74 1xwn h ASN 140 Ca -0.01 -0.04 0.00 0.00 0.07 0.00 0.00 56.30 56.33 1xwn h ASN 140 Cb 0.80 -0.04 -0.02 0.00 -2.07 0.00 0.00 38.32 36.98 1xwn h ASN 140 CO 0.02 0.38 0.30 -0.09 0.07 0.00 0.00 177.43 178.11 1xwn h ARG 141 N 0.17 0.59 -0.90 4.14 2.43 -1.60 -2.02 114.38 117.19 1xwn h ARG 141 Ca 0.03 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1xwn h ARG 141 Cb 0.44 -0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 1xwn h ARG 141 CO 0.03 0.39 0.59 0.28 -1.51 0.00 0.00 179.97 179.75 1xwn h VAL 142 N 0.61 1.10 -0.38 0.20 2.07 -1.47 -2.33 116.25 116.05 1xwn h VAL 142 Ca 0.17 -0.37 -0.09 0.00 0.82 0.00 0.00 66.70 67.22 1xwn h VAL 142 Cb -0.07 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.63 1xwn h VAL 142 CO -0.04 0.20 -0.13 1.23 0.02 0.00 0.00 177.57 178.85 1xwn h GLY 143 N 1.07 0.82 -0.08 2.17 0.00 -1.48 -3.21 103.07 102.36 1xwn h GLY 143 Ca 0.38 -0.70 0.13 0.00 0.00 0.00 0.00 47.33 47.13 1xwn h GLY 143 CO -0.13 0.64 -0.03 -0.33 0.00 0.00 0.00 176.54 176.69 1xwn h MET 144 N 0.56 0.08 -6.62 4.80 2.07 -1.28 -3.39 114.93 111.15 1xwn h MET 144 Ca 0.09 -0.01 -0.58 0.00 -2.07 0.00 0.00 59.70 57.13 1xwn h MET 144 Cb 0.66 -0.02 0.12 0.00 -1.87 0.00 0.00 31.60 30.49 1xwn h MET 144 CO 0.04 0.06 0.24 1.55 1.07 0.00 0.00 176.91 179.87 1xwn n VAL 145 N -5.31 2.21 -1.79 -2.22 3.14 -1.16 -4.84 118.33 108.37 1xwn n VAL 145 Ca 0.08 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.54 1xwn n VAL 145 Cb 0.34 -1.22 -0.03 0.00 -1.06 0.00 0.00 33.84 31.88 1xwn n VAL 145 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1xwn s GLU 146 N -1.86 3.47 0.73 1.45 2.12 -1.26 -4.89 118.70 118.46 1xwn s GLU 146 Ca 0.60 1.95 -0.12 0.00 0.36 0.00 0.00 54.97 57.76 1xwn s GLU 146 Cb -0.60 -4.24 0.03 0.00 0.26 0.00 0.00 34.13 29.58 1xwn s GLU 146 CO 0.59 -1.71 1.11 0.95 -0.54 0.00 0.00 175.26 175.67 1xwn s THR 147 N 6.78 3.21 0.00 -1.70 -4.23 -1.26 -4.25 115.64 114.19 1xwn s THR 147 Ca 0.89 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.79 1xwn s THR 147 Cb -0.31 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.15 1xwn s THR 147 CO 0.35 -0.51 0.00 0.59 -0.54 0.00 0.00 174.62 174.51 1xwn n ASN 148 N -3.08 0.00 -1.64 3.99 4.13 -0.23 -4.90 115.26 113.53 1xwn n ASN 148 Ca 0.07 -0.73 -0.12 0.00 1.68 0.00 0.00 54.58 55.48 1xwn n ASN 148 Cb 0.58 0.00 0.07 0.00 -1.54 0.00 0.00 39.78 38.89 1xwn n ASN 148 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 1xwn n SER 149 N -2.19 4.19 -1.22 6.41 3.41 -1.26 -3.76 113.62 119.20 1xwn n SER 149 Ca 0.00 -2.80 -0.06 0.00 -0.26 0.00 0.00 58.87 55.75 1xwn n SER 149 Cb 0.00 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.14 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 -0.05 0.16 -3.69 4.33 6.02 -1.26 -5.00 117.38 117.88 1xwn n GLN 150 Ca 0.27 -1.11 -0.25 0.00 -0.01 0.00 0.00 57.00 55.90 1xwn n GLN 150 Cb 0.90 0.44 0.06 0.00 1.02 0.00 0.00 30.24 32.66 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1xwn n ASP 151 N -0.14 -5.07 -4.58 1.08 8.00 -1.25 -4.87 116.55 109.72 1xwn n ASP 151 Ca -0.24 -0.64 -0.31 0.00 0.71 0.00 0.00 54.79 54.30 1xwn n ASP 151 Cb 0.75 -4.61 -0.10 0.00 -0.02 0.00 0.00 41.12 37.14 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xwn s ARG 152 N -6.29 2.31 0.51 -1.24 3.00 -1.26 -1.60 118.95 114.38 1xwn s ARG 152 Ca 0.51 -0.90 -0.18 0.00 0.00 0.00 0.00 55.73 55.16 1xwn s ARG 152 Cb -0.24 -2.39 -0.08 0.00 0.00 0.00 0.00 34.95 32.25 1xwn s ARG 152 CO 0.77 0.55 1.01 -1.25 0.00 0.00 0.00 175.30 176.38 1xwn s PRO 153 N -1.87 3.81 -0.17 3.54 0.04 -1.26 -1.07 135.00 138.01 1xwn s PRO 153 Ca 0.20 1.17 0.16 0.00 0.04 0.00 0.00 61.00 62.56 1xwn s PRO 153 Cb -0.11 -2.11 0.38 0.00 0.04 0.00 0.00 34.50 32.70 1xwn s PRO 153 CO 0.11 -0.40 1.24 1.55 0.04 0.00 0.00 177.00 179.55 1xwn n VAL 154 N -1.32 2.10 -1.91 -0.36 3.14 -1.26 -4.61 118.33 114.12 1xwn n VAL 154 Ca 0.08 -2.50 0.04 0.00 -2.96 0.00 0.00 64.34 59.00 1xwn n VAL 154 Cb 0.53 -0.25 0.06 0.00 -1.06 0.00 0.00 33.84 33.13 1xwn n VAL 154 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1xwn n ASP 155 N -1.18 1.00 -2.92 6.55 2.03 -1.26 -5.05 116.55 115.72 1xwn n ASP 155 Ca 0.19 -2.50 -0.07 0.00 0.52 0.00 0.00 54.79 52.93 1xwn n ASP 155 Cb 0.73 -0.32 0.01 0.00 -0.72 0.00 0.00 41.12 40.82 1xwn n ASP 155 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1xwn n ASP 156 N -0.30 -7.53 -4.11 1.67 8.00 -1.26 -4.91 116.55 108.11 1xwn n ASP 156 Ca 0.08 0.81 -0.33 0.00 0.71 0.00 0.00 54.79 56.06 1xwn n ASP 156 Cb 0.82 -4.43 -0.15 0.00 -0.02 0.00 0.00 41.12 37.34 1xwn n ASP 156 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1xwn s VAL 157 N -1.86 2.35 0.34 2.53 1.01 -1.26 -4.03 120.40 119.48 1xwn s VAL 157 Ca 0.13 -1.45 -0.15 0.00 0.00 0.00 0.00 61.98 60.52 1xwn s VAL 157 Cb -0.03 -2.31 0.03 0.00 0.00 0.00 0.00 36.38 34.07 1xwn s VAL 157 CO 0.69 0.06 0.69 -1.59 0.00 0.00 0.00 175.10 174.94 1xwn s LYS 158 N 1.17 2.00 -0.19 2.72 0.00 -1.26 -2.99 119.74 121.19 1xwn s LYS 158 Ca -0.06 -1.35 -0.07 0.00 0.00 0.00 0.00 55.97 54.50 1xwn s LYS 158 Cb -0.19 0.58 -0.04 0.00 0.00 0.00 0.00 37.83 38.18 1xwn s LYS 158 CO -0.05 -0.91 0.05 0.42 0.00 0.00 0.00 175.35 174.86 1xwn s ILE 159 N -3.03 4.52 -0.14 3.79 1.01 0.15 0.56 121.20 128.06 1xwn s ILE 159 Ca 0.17 -0.12 0.08 0.00 0.00 0.00 0.00 60.65 60.78 1xwn s ILE 159 Cb -0.04 -3.04 -0.14 0.00 0.01 0.00 0.00 42.46 39.24 1xwn s ILE 159 CO 0.11 0.44 -0.02 2.30 0.00 0.00 0.00 174.94 177.77 1xwn n ILE 160 N 3.83 0.92 -3.78 2.92 -5.35 -1.20 -2.56 119.36 114.14 1xwn n ILE 160 Ca -0.17 -0.49 -0.08 0.00 -0.27 0.00 0.00 62.75 61.75 1xwn n ILE 160 Cb 0.52 -0.81 -0.02 0.00 -1.74 0.00 0.00 39.64 37.59 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 -2.32 1.67 0.12 6.28 0.00 -0.80 -4.58 119.74 120.11 1xwn s LYS 161 Ca -0.12 -0.90 0.03 0.00 0.00 0.00 0.00 55.97 54.98 1xwn s LYS 161 Cb 0.05 0.60 -0.04 0.00 0.00 0.00 0.00 37.83 38.43 1xwn s LYS 161 CO 0.48 -0.75 -0.09 0.00 0.00 0.00 0.00 175.35 174.99 1xwn s ALA 162 N -3.89 1.24 -0.35 0.59 0.00 -1.26 -1.86 121.76 116.23 1xwn s ALA 162 Ca 0.10 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.67 1xwn s ALA 162 Cb -0.05 0.08 0.11 0.00 0.00 0.00 0.00 23.12 23.27 1xwn s ALA 162 CO 0.03 -0.14 0.13 0.71 0.00 0.00 0.00 175.76 176.50 1xwn s TYR 163 N -3.30 2.14 -0.88 0.00 1.51 0.61 -4.87 117.35 112.56 1xwn s TYR 163 Ca 0.13 -2.15 -0.25 0.00 -1.01 0.00 0.00 57.07 53.79 1xwn s TYR 163 Cb 0.03 -1.98 0.04 0.00 -0.11 0.00 0.00 41.96 39.94 1xwn s TYR 163 CO -0.01 -0.86 1.37 -1.25 -1.11 0.00 0.00 175.55 173.69 1xwn s PRO 164 N 1.13 3.38 0.23 -1.71 0.04 -1.26 -1.78 135.00 135.03 1xwn s PRO 164 Ca 0.12 -0.67 -0.22 0.00 0.04 0.00 0.00 61.00 60.28 1xwn s PRO 164 Cb -0.20 -4.77 -0.08 0.00 0.04 0.00 0.00 34.50 29.49 1xwn s PRO 164 CO -0.15 -2.19 0.77 0.45 0.04 0.00 0.00 177.00 175.92 1xwn s SER 165 N 4.40 7.15 0.00 6.66 0.15 -1.25 -5.05 113.70 125.76 1xwn s SER 165 Ca 0.41 1.52 0.00 0.00 0.70 0.00 0.00 55.95 58.58 1xwn s SER 165 Cb -0.04 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 1xwn s SER 165 CO 0.03 0.04 0.00 0.61 1.20 0.00 0.00 173.24 175.11