#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 1.46 -2.55 -5.12 0.00 -1.26 -5.08 120.51 107.96 1xwn n ALA 2 Ca 0.00 -1.18 -0.05 0.00 0.00 0.00 0.00 53.44 52.21 1xwn n ALA 2 Cb 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 19.45 19.33 1xwn n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwn n ALA 3 N -3.10 -3.12 -3.00 0.00 0.00 -1.26 -4.55 120.51 105.48 1xwn n ALA 3 Ca -0.42 0.81 -0.03 0.00 0.00 0.00 0.00 53.44 53.79 1xwn n ALA 3 Cb 1.04 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 18.04 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 -0.10-10.37 -1.55 0.00 2.08 -1.26 -4.83 119.36 103.33 1xwn n ILE 4 Ca 0.07 0.16 -0.45 0.00 0.56 0.00 0.00 62.75 63.09 1xwn n ILE 4 Cb 0.27 -6.99 -0.04 0.00 -0.75 0.00 0.00 39.64 32.13 1xwn n ILE 4 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1xwn n PRO 5 N -1.27 1.62 -1.46 0.38 -0.02 -1.26 -4.96 135.00 128.03 1xwn n PRO 5 Ca 0.04 0.42 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 1xwn n PRO 5 Cb 0.49 -3.00 0.10 0.00 -0.02 0.00 0.00 33.50 31.06 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 6.46 2.02 0.00 0.52 0.04 -1.26 -5.02 135.00 137.76 1xwn s PRO 6 Ca 1.04 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1xwn s PRO 6 Cb -0.49 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1xwn s PRO 6 CO 0.39 -1.69 0.00 -0.40 0.04 0.00 0.00 177.00 175.34 1xwn n ASP 7 N -3.50 0.16 -3.77 6.66 5.75 -1.26 -5.15 116.55 115.44 1xwn n ASP 7 Ca 0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.80 1xwn n ASP 7 Cb 0.55 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.63 1xwn n ASP 7 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1xwn s SER 8 N -4.88 -0.23 0.00 -1.12 1.04 -1.26 -5.09 113.70 102.16 1xwn s SER 8 Ca 0.00 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.99 1xwn s SER 8 Cb 0.00 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.69 1xwn s SER 8 CO 0.00 -1.05 0.00 0.79 0.98 0.00 0.00 173.24 173.96 1xwn n TRP 9 N -0.45 0.00 -3.37 5.02 7.02 -1.26 -5.02 117.44 119.38 1xwn n TRP 9 Ca -0.06 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 55.97 1xwn n TRP 9 Cb 0.60 0.25 -0.07 0.00 -2.42 0.00 0.00 31.31 29.68 1xwn n TRP 9 CO 0.00 0.00 0.00 -0.65 -2.02 0.00 0.00 177.69 175.02 1xwn s GLN 10 N -1.90 2.99 -0.18 -0.99 -1.52 -1.26 -5.05 119.66 111.75 1xwn s GLN 10 Ca 0.00 -1.40 -0.29 0.00 -1.95 0.00 0.00 55.36 51.72 1xwn s GLN 10 Cb 0.00 -4.16 -0.03 0.00 -0.22 0.00 0.00 33.01 28.59 1xwn s GLN 10 CO 0.00 -1.09 1.62 -1.25 -0.25 0.00 0.00 175.29 174.31 1xwn s PRO 11 N 1.67 3.89 0.24 2.91 0.04 -1.26 -4.91 135.00 137.58 1xwn s PRO 11 Ca 0.04 1.79 -0.01 0.00 0.04 0.00 0.00 61.00 62.86 1xwn s PRO 11 Cb -0.25 -4.02 0.26 0.00 0.04 0.00 0.00 34.50 30.54 1xwn s PRO 11 CO 0.06 -1.18 1.64 -1.00 0.04 0.00 0.00 177.00 176.56 1xwn h PRO 12 N 10.41 0.60 -6.16 0.56 0.13 -1.93 -3.46 132.00 132.15 1xwn h PRO 12 Ca -0.35 -0.26 -0.50 0.00 -0.87 0.00 0.00 66.00 64.02 1xwn h PRO 12 Cb 1.16 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 1xwn h PRO 12 CO 0.99 0.84 -0.37 -0.80 -0.23 0.00 0.00 178.00 178.42 1xwn s ASN 13 N -6.81 5.00 -0.06 1.44 -0.87 -1.26 -1.74 114.94 110.64 1xwn s ASN 13 Ca -0.08 -0.79 -0.18 0.00 -1.57 0.00 0.00 52.86 50.25 1xwn s ASN 13 Cb 0.13 -0.50 0.04 0.00 -0.02 0.00 0.00 41.25 40.89 1xwn s ASN 13 CO 0.82 -0.68 0.40 0.54 -2.57 0.00 0.00 177.10 175.61 1xwn s VAL 14 N -2.50 0.03 -0.09 1.60 0.11 -0.74 -3.69 120.40 115.13 1xwn s VAL 14 Ca 0.47 -0.27 0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1xwn s VAL 14 Cb -0.03 -0.67 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 1xwn s VAL 14 CO 0.27 -0.15 -0.11 -0.31 -3.33 0.00 0.00 175.10 171.47 1xwn s TYR 15 N -0.90 2.82 -0.37 1.54 1.51 -0.40 -2.60 117.35 118.94 1xwn s TYR 15 Ca -0.10 -0.31 0.03 0.00 -1.01 0.00 0.00 57.07 55.69 1xwn s TYR 15 Cb -0.04 -1.76 0.11 0.00 -0.11 0.00 0.00 41.96 40.16 1xwn s TYR 15 CO 0.04 0.05 0.10 -0.51 -1.11 0.00 0.00 175.55 174.12 1xwn s LEU 16 N -0.25 4.34 -1.07 -1.29 1.43 -0.91 -2.33 118.68 118.61 1xwn s LEU 16 Ca 0.02 -2.28 -0.19 0.00 -1.03 0.00 0.00 54.13 50.65 1xwn s LEU 16 Cb -0.13 -1.53 0.11 0.00 0.03 0.00 0.00 46.19 44.67 1xwn s LEU 16 CO 0.03 -0.35 1.38 -1.61 0.23 0.00 0.00 176.35 176.02 1xwn s GLU 17 N 0.74 3.77 0.21 1.70 8.01 -0.93 -2.85 118.70 129.35 1xwn s GLU 17 Ca 0.12 -1.80 0.03 0.00 0.01 0.00 0.00 54.97 53.33 1xwn s GLU 17 Cb -0.20 -5.17 -0.03 0.00 -4.31 0.00 0.00 34.13 24.42 1xwn s GLU 17 CO -0.08 -1.97 0.36 0.95 0.01 0.00 0.00 175.26 174.53 1xwn s THR 18 N 3.31 5.26 0.28 3.63 -4.23 -1.24 -2.59 115.64 120.05 1xwn s THR 18 Ca 0.42 -0.74 -0.00 0.00 -1.18 0.00 0.00 61.69 60.19 1xwn s THR 18 Cb -0.02 -3.80 0.13 0.00 1.34 0.00 0.00 72.50 70.15 1xwn s THR 18 CO -0.05 -0.25 1.80 -1.28 -0.54 0.00 0.00 174.62 174.30 1xwn h SER 19 N 1.58 0.70 0.13 3.99 0.87 -0.95 -2.52 113.55 117.34 1xwn h SER 19 Ca -0.50 -0.15 -0.06 0.00 -1.23 0.00 0.00 61.79 59.85 1xwn h SER 19 Cb 1.21 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.98 1xwn h SER 19 CO 0.65 0.75 -0.22 -0.03 -0.53 0.00 0.00 176.83 177.45 1xwn h MET 20 N 0.69 0.17 0.00 2.24 1.85 -1.79 -3.47 114.93 114.62 1xwn h MET 20 Ca 0.14 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 1xwn h MET 20 Cb 0.39 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.40 1xwn h MET 20 CO 0.01 0.39 0.00 0.41 -0.40 0.00 0.00 176.91 177.32 1xwn n GLY 21 N -0.72 3.55 3.78 1.39 0.00 -0.95 -5.07 105.19 107.17 1xwn n GLY 21 Ca -0.01 -0.62 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 1xwn n GLY 21 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xwn s ILE 22 N -2.00 4.23 -0.05 -0.61 2.07 -1.26 -3.71 121.20 119.87 1xwn s ILE 22 Ca 0.00 1.82 -0.12 0.00 -1.41 0.00 0.00 60.65 60.94 1xwn s ILE 22 Cb 0.00 -4.09 0.02 0.00 0.13 0.00 0.00 42.46 38.52 1xwn s ILE 22 CO 0.00 0.28 0.28 0.27 -1.91 0.00 0.00 174.94 173.86 1xwn s ILE 23 N -1.45 0.04 -0.12 2.00 -4.36 -1.13 -4.86 121.20 111.32 1xwn s ILE 23 Ca 0.46 -0.34 0.01 0.00 -0.26 0.00 0.00 60.65 60.51 1xwn s ILE 23 Cb -0.21 -0.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.97 1xwn s ILE 23 CO 0.26 -0.19 -0.15 -0.69 0.24 0.00 0.00 174.94 174.41 1xwn s VAL 24 N -0.82 2.86 0.17 8.37 1.01 0.21 -2.13 120.40 130.07 1xwn s VAL 24 Ca -0.09 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.19 1xwn s VAL 24 Cb -0.05 -2.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 1xwn s VAL 24 CO 0.02 0.53 -0.04 -1.48 0.00 0.00 0.00 175.10 174.14 1xwn s LEU 25 N 0.28 2.30 0.17 3.92 2.34 -1.07 -3.32 118.68 123.30 1xwn s LEU 25 Ca -0.11 -1.12 0.07 0.00 0.06 0.00 0.00 54.13 53.03 1xwn s LEU 25 Cb -0.16 -0.20 -0.04 0.00 -0.56 0.00 0.00 46.19 45.23 1xwn s LEU 25 CO 0.06 -0.47 -0.02 -0.70 -1.06 0.00 0.00 176.35 174.15 1xwn s GLU 26 N -3.84 2.33 -0.04 1.48 -6.30 -0.49 -1.78 118.70 110.05 1xwn s GLU 26 Ca 0.22 -1.12 0.03 0.00 -2.50 0.00 0.00 54.97 51.59 1xwn s GLU 26 Cb 0.05 -2.32 0.01 0.00 0.00 0.00 0.00 34.13 31.86 1xwn s GLU 26 CO 0.03 0.46 -0.11 -0.51 0.02 0.00 0.00 175.26 175.15 1xwn s LEU 27 N -2.85 1.75 -0.73 2.70 1.43 -0.71 -1.60 118.68 118.66 1xwn s LEU 27 Ca 0.26 -0.24 -0.26 0.00 -1.03 0.00 0.00 54.13 52.87 1xwn s LEU 27 Cb -0.09 -0.68 0.01 0.00 0.03 0.00 0.00 46.19 45.45 1xwn s LEU 27 CO 0.18 0.07 1.58 -0.31 0.23 0.00 0.00 176.35 178.09 1xwn s TYR 28 N 0.31 2.02 -0.86 0.29 1.51 -1.22 -4.81 117.35 114.59 1xwn s TYR 28 Ca -0.06 0.26 0.02 0.00 -1.01 0.00 0.00 57.07 56.28 1xwn s TYR 28 Cb -0.11 -4.38 0.12 0.00 -0.11 0.00 0.00 41.96 37.48 1xwn s TYR 28 CO 0.01 -2.13 0.70 -2.67 -1.11 0.00 0.00 175.55 170.36 1xwn n TRP 29 N 11.04 0.31 -0.02 2.71 4.27 -1.26 -2.06 117.44 132.43 1xwn n TRP 29 Ca 0.16 -0.13 -0.02 0.00 -3.89 0.00 0.00 57.50 53.62 1xwn n TRP 29 Cb 0.50 -0.17 -0.01 0.00 -1.36 0.00 0.00 31.31 30.28 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 0.10 0.14 -0.00 -2.67 4.76 -1.26 -4.52 118.16 114.70 1xwn n LYS 30 Ca 0.04 0.06 0.10 0.00 -2.87 0.00 0.00 58.31 55.64 1xwn n LYS 30 Cb 0.40 -0.75 -0.13 0.00 -1.84 0.00 0.00 35.03 32.71 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 -3.03 0.00 1.00 2.13 8.25 -1.26 -4.41 115.22 117.91 1xwn n HIS 31 Ca -0.04 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 1xwn n HIS 31 Cb 0.14 -0.15 0.19 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.71 2.47 -0.46 -1.41 0.00 -0.87 -4.56 120.51 113.97 1xwn n ALA 32 Ca 0.01 -0.68 0.38 0.00 0.00 0.00 0.00 53.44 53.15 1xwn n ALA 32 Cb 0.39 -0.88 0.66 0.00 0.00 0.00 0.00 19.45 19.62 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 4.25 0.09 0.57 0.00 0.11 -1.77 0.24 132.00 135.50 1xwn h PRO 33 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1xwn h PRO 33 Cb 0.91 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1xwn h PRO 33 CO 0.00 0.06 -0.36 -0.22 -0.21 0.00 0.00 178.00 177.27 1xwn h LYS 34 N 0.09 -0.85 -0.21 1.05 1.63 -1.93 0.11 116.57 116.46 1xwn h LYS 34 Ca 0.80 0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 60.58 1xwn h LYS 34 Cb 2.61 0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 34.42 1xwn h LYS 34 CO -0.34 -0.57 -0.23 1.79 -3.45 0.00 0.00 179.45 176.65 1xwn h THR 35 N -0.88 1.25 0.10 1.00 1.35 -1.52 -2.75 112.91 111.46 1xwn h THR 35 Ca -0.08 -1.17 -0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1xwn h THR 35 Cb 0.71 1.35 -0.00 0.00 -1.73 0.00 0.00 68.15 68.47 1xwn h THR 35 CO 0.07 0.37 -0.07 0.00 -0.25 0.00 0.00 175.52 175.64 1xwn h LYS 37 N -0.18 1.14 -0.58 0.00 3.64 -0.70 0.05 116.57 119.94 1xwn h LYS 37 Ca -0.01 -0.08 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 1xwn h LYS 37 Cb 0.16 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1xwn h LYS 37 CO -0.00 0.77 0.09 -0.97 -2.27 0.00 0.00 179.45 177.07 1xwn h ASN 38 N 1.17 0.93 -0.09 4.20 -1.24 -1.16 -1.10 115.58 118.29 1xwn h ASN 38 Ca 0.31 -0.26 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 1xwn h ASN 38 Cb -0.10 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 38.70 1xwn h ASN 38 CO -0.06 0.96 -0.02 0.15 -1.29 0.00 0.00 177.43 177.16 1xwn h PHE 39 N 0.86 0.19 -0.22 0.67 3.04 -0.15 -1.84 116.94 119.51 1xwn h PHE 39 Ca 0.18 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1xwn h PHE 39 Cb 0.43 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 1xwn h PHE 39 CO 0.03 0.48 0.14 0.00 -2.02 0.00 0.00 178.31 176.94 1xwn h ALA 40 N 0.69 0.27 0.01 2.41 0.00 -0.97 -1.84 119.26 119.84 1xwn h ALA 40 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1xwn h ALA 40 Cb 0.41 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1xwn h ALA 40 CO 0.01 -0.25 -0.00 0.93 0.00 0.00 0.00 179.25 179.93 1xwn h GLU 41 N 0.29 -0.01 -0.54 0.00 4.39 -1.23 0.37 114.58 117.85 1xwn h GLU 41 Ca 0.08 0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.87 1xwn h GLU 41 Cb -0.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1xwn h GLU 41 CO -0.02 0.04 0.37 -0.07 -1.16 0.00 0.00 179.01 178.16 1xwn h LEU 42 N -0.06 0.33 0.10 1.33 4.07 -1.22 0.48 115.31 120.34 1xwn h LEU 42 Ca -0.00 0.01 -0.29 0.00 0.08 0.00 0.00 57.88 57.67 1xwn h LEU 42 Cb 0.06 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1xwn h LEU 42 CO 0.00 0.20 -1.46 0.00 -1.08 0.00 0.00 178.44 176.10 1xwn h ALA 43 N 1.72 0.28 -0.00 1.53 0.00 -0.91 -1.05 119.26 120.84 1xwn h ALA 43 Ca 0.25 -1.08 -0.23 0.00 0.00 0.00 0.00 54.91 53.84 1xwn h ALA 43 Cb 0.49 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xwn h ALA 43 CO -0.06 1.15 -0.96 -0.09 0.00 0.00 0.00 179.25 179.28 1xwn h ARG 44 N 0.06 0.48 -0.02 0.00 2.43 0.49 -3.25 114.38 114.57 1xwn h ARG 44 Ca -0.21 -0.52 -0.06 0.00 -0.81 0.00 0.00 59.98 58.38 1xwn h ARG 44 Cb 1.99 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.68 1xwn h ARG 44 CO 0.16 1.16 -0.26 0.00 -1.51 0.00 0.00 179.97 179.52 1xwn h ARG 45 N 0.27 0.04 0.00 0.20 3.08 -0.21 -3.47 114.38 114.29 1xwn h ARG 45 Ca -0.09 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.95 1xwn h ARG 45 Cb 1.60 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.65 1xwn h ARG 45 CO 0.17 0.29 0.00 0.41 -1.07 0.00 0.00 179.97 179.78 1xwn n GLY 46 N -0.76 1.90 0.14 0.04 0.00 -1.23 -5.04 105.19 100.25 1xwn n GLY 46 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.42 0.00 0.05 1.61 4.02 -0.51 -4.66 117.16 117.26 1xwn n TYR 47 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1xwn n TYR 47 Cb 0.00 -0.75 -0.09 0.00 -0.02 0.00 0.00 39.34 38.49 1xwn n TYR 47 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 176.86 174.93 1xwn h TYR 48 N -0.13 -0.11 -2.75 -0.72 3.20 -1.44 -3.38 116.97 111.64 1xwn h TYR 48 Ca -0.45 -0.00 -0.54 0.00 3.14 0.00 0.00 58.73 60.87 1xwn h TYR 48 Cb 1.64 0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.94 1xwn h TYR 48 CO 0.01 0.18 0.97 0.54 -1.64 0.00 0.00 178.16 178.21 1xwn s ASN 49 N -5.36 6.73 0.00 -2.11 4.22 -1.26 -2.81 114.94 114.35 1xwn s ASN 49 Ca -0.15 2.24 0.00 0.00 -2.14 0.00 0.00 52.86 52.81 1xwn s ASN 49 Cb 0.03 -2.55 0.00 0.00 1.28 0.00 0.00 41.25 40.01 1xwn s ASN 49 CO 0.64 -0.83 0.00 0.61 -2.04 0.00 0.00 177.10 175.48 1xwn n GLY 50 N 3.90 0.66 2.43 0.45 0.00 0.16 -4.90 105.19 107.89 1xwn n GLY 50 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 -3.61 2.61 -1.04 -1.12 -4.63 114.28 106.48 1xwn n THR 51 Ca 0.00 -0.51 -0.13 0.00 -2.04 0.00 0.00 64.05 61.37 1xwn n THR 51 Cb 0.00 -1.46 -0.06 0.00 -1.82 0.00 0.00 70.33 66.99 1xwn n THR 51 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1xwn s LYS 52 N -4.79 0.99 1.07 -2.82 -2.85 -1.26 -0.89 119.74 109.19 1xwn s LYS 52 Ca 0.48 -0.29 -0.13 0.00 -1.00 0.00 0.00 55.97 55.03 1xwn s LYS 52 Cb -0.03 0.45 0.23 0.00 -2.06 0.00 0.00 37.83 36.42 1xwn s LYS 52 CO 0.35 -0.35 1.07 -0.06 0.10 0.00 0.00 175.35 176.46 1xwn s PHE 53 N -2.47 1.82 0.09 1.78 0.08 -1.24 -4.80 117.98 113.23 1xwn s PHE 53 Ca -0.05 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.03 1xwn s PHE 53 Cb -0.01 -3.21 0.00 0.00 -0.57 0.00 0.00 43.02 39.23 1xwn s PHE 53 CO -0.02 -3.29 0.00 -2.39 -0.10 0.00 0.00 175.22 169.42 1xwn n HIS 54 N -4.47 -0.70 -3.45 0.36 1.44 -1.26 -5.02 115.22 102.12 1xwn n HIS 54 Ca 0.04 0.12 -0.43 0.00 -2.01 0.00 0.00 57.72 55.44 1xwn n HIS 54 Cb 0.56 0.42 -0.09 0.00 0.12 0.00 0.00 29.99 31.00 1xwn n HIS 54 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1xwn s ARG 55 N -2.00 2.95 -0.34 -1.40 0.52 -1.25 -4.52 118.95 112.90 1xwn s ARG 55 Ca 0.00 -1.13 0.04 0.00 -0.52 0.00 0.00 55.73 54.12 1xwn s ARG 55 Cb 0.00 -4.00 0.10 0.00 0.52 0.00 0.00 34.95 31.57 1xwn s ARG 55 CO 0.00 -0.83 0.05 0.42 0.02 0.00 0.00 175.30 174.96 1xwn s ILE 56 N 1.65 2.28 -0.58 1.52 1.09 -1.26 -2.12 121.20 123.79 1xwn s ILE 56 Ca 0.04 -2.36 -0.08 0.00 -1.10 0.00 0.00 60.65 57.15 1xwn s ILE 56 Cb -0.21 -2.69 0.15 0.00 -1.06 0.00 0.00 42.46 38.65 1xwn s ILE 56 CO 0.09 -0.60 0.44 -0.63 -0.10 0.00 0.00 174.94 174.13 1xwn s ILE 57 N 0.89 4.27 0.58 2.92 1.01 -0.67 -4.83 121.20 125.36 1xwn s ILE 57 Ca 0.11 -2.26 0.35 0.00 0.00 0.00 0.00 60.65 58.85 1xwn s ILE 57 Cb -0.19 -3.77 0.38 0.00 0.01 0.00 0.00 42.46 38.89 1xwn s ILE 57 CO -0.08 -0.85 2.27 0.07 0.00 0.00 0.00 174.94 176.35 1xwn h LYS 58 N 7.91 0.00 -0.82 2.79 5.09 -1.82 -0.70 116.57 129.02 1xwn h LYS 58 Ca -0.09 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.61 1xwn h LYS 58 Cb 1.03 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.34 1xwn h LYS 58 CO 0.79 0.02 0.04 -0.25 -2.09 0.00 0.00 179.45 177.96 1xwn n ASP 59 N -3.54 3.41 0.00 7.07 8.00 -1.26 -4.76 116.55 125.47 1xwn n ASP 59 Ca -0.03 -2.52 0.00 0.00 0.71 0.00 0.00 54.79 52.95 1xwn n ASP 59 Cb 0.10 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.60 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 0.23 0.00 -3.83 1.24 7.35 -0.60 -5.02 117.46 116.84 1xwn n PHE 60 Ca 0.16 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.77 1xwn n PHE 60 Cb 0.78 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.62 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 2.02 -0.02 -4.13 0.23 -0.37 -3.29 119.30 113.74 1xwn s MET 61 Ca 0.00 -1.24 0.02 0.00 -1.03 0.00 0.00 55.69 53.45 1xwn s MET 61 Cb 0.00 0.61 0.00 0.00 -1.53 0.00 0.00 34.83 33.91 1xwn s MET 61 CO 0.00 -0.94 -0.07 0.96 -2.03 0.00 0.00 175.02 172.94 1xwn s ILE 62 N -2.92 0.61 0.02 3.16 -5.25 -1.14 -1.68 121.20 114.00 1xwn s ILE 62 Ca 0.14 -0.28 0.07 0.00 -0.99 0.00 0.00 60.65 59.59 1xwn s ILE 62 Cb -0.05 -0.54 -0.03 0.00 2.95 0.00 0.00 42.46 44.79 1xwn s ILE 62 CO 0.09 0.19 -0.21 0.00 -1.79 0.00 0.00 174.94 173.23 1xwn s GLN 63 N 0.12 2.06 -0.05 0.37 -2.07 -0.90 -0.52 119.66 118.67 1xwn s GLN 63 Ca -0.01 -0.97 -0.00 0.00 -1.82 0.00 0.00 55.36 52.55 1xwn s GLN 63 Cb -0.06 -2.13 0.03 0.00 -1.09 0.00 0.00 33.01 29.75 1xwn s GLN 63 CO -0.00 0.55 -0.01 0.20 -1.32 0.00 0.00 175.29 174.70 1xwn s GLY 64 N -1.18 0.41 0.39 2.60 0.00 -0.48 -3.92 107.32 105.13 1xwn s GLY 64 Ca 0.13 -0.03 -0.14 0.00 0.00 0.00 0.00 44.72 44.68 1xwn s GLY 64 CO 0.03 0.77 0.77 0.61 0.00 0.00 0.00 173.10 175.28 1xwn n GLY 65 N 4.53 1.06 2.19 0.20 0.00 -1.26 -3.10 105.19 108.81 1xwn n GLY 65 Ca -0.18 -1.29 -0.07 0.00 0.00 0.00 0.00 46.02 44.49 1xwn n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xwn n ASP 66 N -1.54 -3.27 -3.42 1.61 2.03 -1.26 -4.92 116.55 105.78 1xwn n ASP 66 Ca -0.08 -0.29 -0.39 0.00 0.52 0.00 0.00 54.79 54.55 1xwn n ASP 66 Cb 0.60 -2.54 -0.02 0.00 -0.72 0.00 0.00 41.12 38.43 1xwn n ASP 66 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1xwn n PRO 67 N -2.30 3.33 0.11 -0.67 -0.04 -1.26 -4.10 135.00 130.06 1xwn n PRO 67 Ca -0.07 -2.24 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1xwn n PRO 67 Cb 0.56 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 1xwn n PRO 67 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xwn n THR 68 N 4.07 0.30 -2.15 0.52 -2.24 -1.26 -4.23 114.28 109.30 1xwn n THR 68 Ca 0.69 0.10 -0.07 0.00 -2.27 0.00 0.00 64.05 62.50 1xwn n THR 68 Cb 0.27 -0.74 -0.00 0.00 -2.10 0.00 0.00 70.33 67.76 1xwn n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xwn n GLY 69 N 2.06 0.11 0.17 3.38 0.00 -1.26 -4.95 105.19 104.69 1xwn n GLY 69 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.99 1.45 0.00 2.61 -1.04 -1.26 -5.02 114.28 107.03 1xwn n THR 70 Ca -0.08 -0.42 0.00 0.00 -2.04 0.00 0.00 64.05 61.51 1xwn n THR 70 Cb 0.56 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.35 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 1.62 2.96 1.29 3.41 0.00 -1.26 -4.79 105.19 108.42 1xwn n GLY 71 Ca -0.50 -0.52 -0.04 0.00 0.00 0.00 0.00 46.02 44.96 1xwn n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwn n ARG 72 N 0.00 2.25 -3.64 1.61 1.74 -1.26 -4.95 116.66 112.41 1xwn n ARG 72 Ca 0.00 -3.08 -0.04 0.00 -0.77 0.00 0.00 57.85 53.96 1xwn n ARG 72 Cb 0.00 -1.90 -0.06 0.00 -1.02 0.00 0.00 32.46 29.49 1xwn n ARG 72 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xwn s GLY 73 N -2.15 -0.66 -0.45 -0.13 0.00 -1.26 -5.10 107.32 97.56 1xwn s GLY 73 Ca 0.46 2.41 0.05 0.00 0.00 0.00 0.00 44.72 47.65 1xwn s GLY 73 CO 0.04 2.74 0.49 -0.32 0.00 0.00 0.00 173.10 176.05 1xwn s GLY 74 N 2.24 0.18 -0.00 0.20 0.00 -1.26 -4.74 107.32 103.93 1xwn s GLY 74 Ca -0.08 -1.59 -0.16 0.00 0.00 0.00 0.00 44.72 42.90 1xwn s GLY 74 CO -0.19 2.75 0.33 0.00 0.00 0.00 0.00 173.10 175.99 1xwn s ALA 75 N 0.45 -0.83 0.32 3.20 0.00 -1.26 -4.89 121.76 118.75 1xwn s ALA 75 Ca 0.31 0.33 0.04 0.00 0.00 0.00 0.00 51.96 52.64 1xwn s ALA 75 Cb 0.01 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.29 1xwn s ALA 75 CO -0.13 -0.30 0.32 -1.13 0.00 0.00 0.00 175.76 174.52 1xwn n SER 76 N 1.12 1.68 0.21 0.00 3.41 0.54 -5.01 113.62 115.57 1xwn n SER 76 Ca -0.21 -1.99 0.06 0.00 -0.26 0.00 0.00 58.87 56.47 1xwn n SER 76 Cb 0.57 -0.11 0.48 0.00 -0.26 0.00 0.00 64.21 64.89 1xwn n SER 76 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 1xwn h ILE 77 N 0.38 1.02 -0.87 -1.33 3.07 -1.98 -2.71 117.51 115.09 1xwn h ILE 77 Ca -0.18 -0.96 -0.58 0.00 1.55 0.00 0.00 64.86 64.69 1xwn h ILE 77 Cb 0.72 1.55 -0.25 0.00 -0.27 0.00 0.00 36.82 38.56 1xwn h ILE 77 CO 0.27 0.26 0.75 -1.22 -1.05 0.00 0.00 178.15 177.16 1xwn n TYR 78 N -3.98 2.80 -3.46 0.16 4.01 -1.26 -5.03 117.16 110.41 1xwn n TYR 78 Ca -0.02 -2.68 0.00 0.00 -0.16 0.00 0.00 57.90 55.04 1xwn n TYR 78 Cb 0.34 -1.29 0.00 0.00 -0.31 0.00 0.00 39.34 38.07 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 -0.62 -0.15 0.07 2.72 0.00 -1.02 -4.51 105.19 101.67 1xwn n GLY 79 Ca 0.54 -1.17 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 1xwn n GLY 79 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xwn n LYS 80 N 2.71 0.84 -3.98 1.61 0.00 -1.26 -0.34 118.16 117.74 1xwn n LYS 80 Ca 0.00 0.06 -0.08 0.00 -0.00 0.00 0.00 58.31 58.29 1xwn n LYS 80 Cb 0.00 -1.29 -0.09 0.00 -0.00 0.00 0.00 35.03 33.65 1xwn n LYS 80 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1xwn s GLN 81 N -2.29 0.68 0.13 -1.58 1.03 -1.25 -4.40 119.66 111.98 1xwn s GLN 81 Ca -0.16 -1.04 -0.26 0.00 0.04 0.00 0.00 55.36 53.95 1xwn s GLN 81 Cb 0.05 0.26 0.07 0.00 0.03 0.00 0.00 33.01 33.41 1xwn s GLN 81 CO 0.37 -0.17 1.00 -0.59 -2.54 0.00 0.00 175.29 173.37 1xwn s PHE 82 N -3.61 -0.12 0.19 9.60 -0.12 -1.25 -4.88 117.98 117.78 1xwn s PHE 82 Ca 0.04 -0.16 -0.32 0.00 -0.05 0.00 0.00 56.93 56.44 1xwn s PHE 82 Cb 0.05 0.63 -0.11 0.00 -0.63 0.00 0.00 43.02 42.96 1xwn s PHE 82 CO -0.09 -0.76 1.66 -1.21 -0.05 0.00 0.00 175.22 174.77 1xwn s GLU 83 N -3.17 4.16 1.07 1.99 8.01 -1.26 -2.91 118.70 126.59 1xwn s GLU 83 Ca 0.13 2.50 -0.12 0.00 0.01 0.00 0.00 54.97 57.49 1xwn s GLU 83 Cb -0.01 -3.12 0.23 0.00 -4.31 0.00 0.00 34.13 26.92 1xwn s GLU 83 CO 0.02 -0.69 1.06 0.16 0.01 0.00 0.00 175.26 175.81 1xwn s ASP 84 N 1.21 1.84 -0.43 -0.19 1.47 -1.26 -4.95 116.67 114.36 1xwn s ASP 84 Ca 0.73 1.47 0.04 0.00 1.18 0.00 0.00 52.55 55.97 1xwn s ASP 84 Cb -0.47 -2.18 0.47 0.00 -0.34 0.00 0.00 42.92 40.40 1xwn s ASP 84 CO 0.32 -3.66 1.55 -0.62 0.68 0.00 0.00 175.17 173.43 1xwn n GLU 85 N -4.55 2.99 -1.98 2.11 -0.58 -1.26 -5.04 120.64 112.33 1xwn n GLU 85 Ca 0.05 -3.69 -0.41 0.00 -0.42 0.00 0.00 57.16 52.69 1xwn n GLU 85 Cb 0.55 -2.21 -0.02 0.00 -0.57 0.00 0.00 31.44 29.19 1xwn n GLU 85 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1xwn s LEU 86 N -3.62 4.38 -0.29 -4.62 0.20 -1.26 -4.76 118.68 108.71 1xwn s LEU 86 Ca 0.55 2.73 0.03 0.00 0.69 0.00 0.00 54.13 58.13 1xwn s LEU 86 Cb 0.45 -3.63 0.18 0.00 -0.43 0.00 0.00 46.19 42.76 1xwn s LEU 86 CO 0.02 -0.72 0.53 -2.28 -0.29 0.00 0.00 176.35 173.60 1xwn s HIS 87 N -0.18 -1.52 -1.10 5.38 2.46 -1.26 -5.08 115.29 113.99 1xwn s HIS 87 Ca 0.58 0.96 -0.26 0.00 0.47 0.00 0.00 55.06 56.82 1xwn s HIS 87 Cb -0.43 0.21 -0.19 0.00 -0.13 0.00 0.00 32.58 32.04 1xwn s HIS 87 CO 0.46 -1.00 2.08 -2.14 -2.47 0.00 0.00 174.74 171.67 1xwn s PRO 88 N 2.74 1.51 0.00 2.88 0.02 -1.26 -3.98 135.00 136.91 1xwn s PRO 88 Ca 0.12 -0.58 0.00 0.00 0.02 0.00 0.00 61.00 60.55 1xwn s PRO 88 Cb -0.12 -5.04 0.00 0.00 0.02 0.00 0.00 34.50 29.36 1xwn s PRO 88 CO -0.26 -5.10 0.00 -3.47 -0.33 0.00 0.00 177.00 167.84 1xwn n ASP 89 N 18.36 0.00 -4.82 2.53 -0.08 -1.26 -5.10 116.55 126.18 1xwn n ASP 89 Ca 0.42 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.35 1xwn n ASP 89 Cb 0.47 0.01 -0.06 0.00 2.34 0.00 0.00 41.12 43.87 1xwn n ASP 89 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1xwn s LEU 90 N -4.97 4.28 0.19 -2.67 1.02 -1.26 -5.08 118.68 110.20 1xwn s LEU 90 Ca 0.00 1.43 -0.00 0.00 0.02 0.00 0.00 54.13 55.58 1xwn s LEU 90 Cb 0.00 -3.74 -0.04 0.00 0.02 0.00 0.00 46.19 42.43 1xwn s LEU 90 CO 0.00 -0.03 0.38 -0.75 0.02 0.00 0.00 176.35 175.97 1xwn s LYS 91 N -2.20 3.51 -0.64 1.70 2.20 -1.26 -5.04 119.74 118.00 1xwn s LYS 91 Ca 0.46 -0.37 -0.02 0.00 -0.36 0.00 0.00 55.97 55.68 1xwn s LYS 91 Cb -0.15 -2.86 0.16 0.00 -1.51 0.00 0.00 37.83 33.48 1xwn s LYS 91 CO 0.20 0.42 0.45 -0.06 -0.36 0.00 0.00 175.35 176.00 1xwn s PHE 92 N -1.85 3.41 0.42 4.03 0.40 -1.26 -4.93 117.98 118.21 1xwn s PHE 92 Ca 0.38 -2.80 0.11 0.00 -0.60 0.00 0.00 56.93 54.02 1xwn s PHE 92 Cb -0.11 -3.16 0.96 0.00 0.51 0.00 0.00 43.02 41.22 1xwn s PHE 92 CO 0.29 -0.82 2.01 1.79 0.70 0.00 0.00 175.22 179.20 1xwn h THR 93 N 5.17 0.98 0.00 0.64 1.35 -1.96 -3.38 112.91 115.71 1xwn h THR 93 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1xwn h THR 93 Cb 0.93 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1xwn h THR 93 CO 0.72 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.68 1xwn n GLY 94 N -1.50 2.49 3.32 5.82 0.00 -1.26 -2.95 105.19 111.11 1xwn n GLY 94 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.51 3.35 -0.30 4.61 0.00 -1.25 -1.05 121.76 124.61 1xwn s ALA 95 Ca 0.00 -2.04 -0.01 0.00 0.00 0.00 0.00 51.96 49.91 1xwn s ALA 95 Cb 0.00 -2.73 -0.02 0.00 0.00 0.00 0.00 23.12 20.37 1xwn s ALA 95 CO 0.00 -1.61 0.26 0.41 0.00 0.00 0.00 175.76 174.82 1xwn n GLY 96 N 5.00 0.32 2.83 0.00 0.00 0.20 -4.93 105.19 108.61 1xwn n GLY 96 Ca -0.11 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.11 0.64 -0.42 -0.61 -1.09 -1.05 -3.24 121.20 112.31 1xwn s ILE 97 Ca 0.11 -0.05 -0.18 0.00 -2.23 0.00 0.00 60.65 58.30 1xwn s ILE 97 Cb -0.01 -0.74 0.02 0.00 -1.58 0.00 0.00 42.46 40.15 1xwn s ILE 97 CO 0.21 0.30 0.46 -0.76 -1.23 0.00 0.00 174.94 173.92 1xwn s LEU 98 N 1.82 4.82 -0.05 2.97 1.43 -0.57 -2.12 118.68 126.99 1xwn s LEU 98 Ca 0.04 -0.63 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1xwn s LEU 98 Cb -0.12 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.64 1xwn s LEU 98 CO -0.06 -0.61 -0.20 0.00 0.23 0.00 0.00 176.35 175.71 1xwn s ALA 99 N 2.23 2.41 -0.26 4.21 0.00 -1.16 -0.86 121.76 128.32 1xwn s ALA 99 Ca 0.13 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 1xwn s ALA 99 Cb -0.17 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.17 1xwn s ALA 99 CO 0.14 0.51 1.06 1.41 0.00 0.00 0.00 175.76 178.88 1xwn s MET 100 N -0.54 4.18 0.67 0.00 1.75 0.30 -2.87 119.30 122.80 1xwn s MET 100 Ca 0.07 1.26 -0.03 0.00 -1.25 0.00 0.00 55.69 55.74 1xwn s MET 100 Cb -0.11 -3.68 0.07 0.00 2.84 0.00 0.00 34.83 33.95 1xwn s MET 100 CO 0.01 -0.74 0.95 0.00 -0.65 0.00 0.00 175.02 174.59 1xwn s ALA 101 N 3.39 3.47 0.07 4.11 0.00 -1.18 -2.55 121.76 129.07 1xwn s ALA 101 Ca 0.45 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 51.05 1xwn s ALA 101 Cb -0.14 -2.31 0.01 0.00 0.00 0.00 0.00 23.12 20.68 1xwn s ALA 101 CO 0.10 -1.21 0.25 0.54 0.00 0.00 0.00 175.76 175.44 1xwn s ASN 102 N -4.55 -0.01 0.01 0.00 4.22 -1.26 -4.57 114.94 108.78 1xwn s ASN 102 Ca 0.61 -0.44 -0.01 0.00 -2.14 0.00 0.00 52.86 50.89 1xwn s ASN 102 Cb -0.09 0.36 -0.27 0.00 1.28 0.00 0.00 41.25 42.53 1xwn s ASN 102 CO 0.43 -0.69 0.89 0.00 -2.04 0.00 0.00 177.10 175.69 1xwn h ALA 103 N 2.92 0.31 -2.99 3.54 0.00 -1.77 -3.49 119.26 117.78 1xwn h ALA 103 Ca -0.33 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.47 1xwn h ALA 103 Cb 1.21 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 1xwn h ALA 103 CO 0.51 1.18 0.21 0.20 0.00 0.00 0.00 179.25 181.34 1xwn s GLY 104 N -4.93 0.24 -0.15 0.00 0.00 -1.19 -5.05 107.32 96.24 1xwn s GLY 104 Ca -0.07 -0.61 -0.36 0.00 0.00 0.00 0.00 44.72 43.67 1xwn s GLY 104 CO 0.85 -0.27 1.83 -1.05 0.00 0.00 0.00 173.10 174.46 1xwn n PRO 105 N -0.49 1.84 -3.71 2.90 -0.02 -1.26 -1.07 135.00 133.19 1xwn n PRO 105 Ca -0.06 0.68 -0.25 0.00 -2.02 0.00 0.00 63.50 61.85 1xwn n PRO 105 Cb 0.60 -2.47 0.06 0.00 -0.02 0.00 0.00 33.50 31.67 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 6.19 -4.80 -3.37 2.55 8.00 -1.26 -4.97 116.55 118.89 1xwn n ASP 106 Ca 0.24 -0.67 -0.22 0.00 0.71 0.00 0.00 54.79 54.85 1xwn n ASP 106 Cb 0.24 -4.53 -0.09 0.00 -0.02 0.00 0.00 41.12 36.72 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 -3.35 -0.10 0.29 -3.53 2.01 -0.23 -3.88 115.64 106.84 1xwn s THR 107 Ca 0.49 -1.49 0.08 0.00 0.31 0.00 0.00 61.69 61.08 1xwn s THR 107 Cb -0.23 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.37 1xwn s THR 107 CO 0.78 -0.80 0.18 0.20 -0.69 0.00 0.00 174.62 174.29 1xwn s ASN 108 N 1.07 5.20 0.00 3.53 0.01 -1.22 -1.98 114.94 121.55 1xwn s ASN 108 Ca 0.20 -0.44 0.00 0.00 -0.71 0.00 0.00 52.86 51.91 1xwn s ASN 108 Cb -0.15 -1.12 0.00 0.00 0.41 0.00 0.00 41.25 40.40 1xwn s ASN 108 CO -0.04 -0.15 0.00 0.61 -1.51 0.00 0.00 177.10 176.02 1xwn n GLY 109 N -1.18 2.17 2.00 0.66 0.00 -1.26 -3.97 105.19 103.60 1xwn n GLY 109 Ca -0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.33 -4.56 1.61 7.64 -1.26 -4.94 113.62 112.45 1xwn n SER 110 Ca 0.00 -2.04 -0.25 0.00 1.01 0.00 0.00 58.87 57.59 1xwn n SER 110 Cb 0.00 -0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.09 1.99 0.35 1.43 0.74 -1.26 -4.12 119.66 117.69 1xwn s GLN 111 Ca 0.21 -1.49 -0.17 0.00 0.05 0.00 0.00 55.36 53.95 1xwn s GLN 111 Cb 0.30 -2.02 0.05 0.00 1.10 0.00 0.00 33.01 32.44 1xwn s GLN 111 CO -0.09 0.37 0.78 -0.59 -0.55 0.00 0.00 175.29 175.22 1xwn s PHE 112 N -2.17 0.04 -0.09 1.67 -0.71 -1.18 -3.12 117.98 112.43 1xwn s PHE 112 Ca 0.28 -0.64 -0.07 0.00 -1.04 0.00 0.00 56.93 55.46 1xwn s PHE 112 Cb -0.07 0.80 0.03 0.00 -1.21 0.00 0.00 43.02 42.57 1xwn s PHE 112 CO 0.16 -1.46 0.22 -0.59 -1.34 0.00 0.00 175.22 172.22 1xwn s PHE 113 N -2.72 -0.26 -0.40 3.49 -0.71 -1.14 -1.39 117.98 114.86 1xwn s PHE 113 Ca 0.14 0.63 -0.13 0.00 -1.04 0.00 0.00 56.93 56.53 1xwn s PHE 113 Cb -0.05 0.06 0.03 0.00 -1.21 0.00 0.00 43.02 41.84 1xwn s PHE 113 CO 0.10 -0.15 0.26 0.08 -1.34 0.00 0.00 175.22 174.17 1xwn s VAL 114 N 0.49 4.93 0.08 -2.49 1.01 0.32 -2.99 120.40 121.75 1xwn s VAL 114 Ca -0.03 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 1xwn s VAL 114 Cb -0.05 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 1xwn s VAL 114 CO -0.02 -0.29 0.98 0.42 0.00 0.00 0.00 175.10 176.19 1xwn s THR 115 N 1.62 4.57 -0.02 3.92 -4.23 -0.90 -2.89 115.64 117.71 1xwn s THR 115 Ca 0.04 2.02 0.05 0.00 -1.18 0.00 0.00 61.69 62.62 1xwn s THR 115 Cb -0.19 -4.29 -0.08 0.00 1.34 0.00 0.00 72.50 69.28 1xwn s THR 115 CO 0.08 0.25 0.09 0.00 -0.54 0.00 0.00 174.62 174.51 1xwn n LEU 116 N 3.18 0.00 -4.89 4.79 -0.00 -0.22 0.62 117.00 120.49 1xwn n LEU 116 Ca 0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.73 1xwn n LEU 116 Cb 0.50 0.04 -0.05 0.00 -0.00 0.00 0.00 43.42 43.91 1xwn n LEU 116 CO 0.52 0.04 -0.18 0.00 -0.00 0.00 0.00 177.39 177.77 1xwn s ALA 117 N -2.30 3.90 -0.05 1.47 0.00 -0.60 -3.98 121.76 120.21 1xwn s ALA 117 Ca -0.02 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 1xwn s ALA 117 Cb 0.03 -1.76 -0.07 0.00 0.00 0.00 0.00 23.12 21.32 1xwn s ALA 117 CO 0.23 0.79 1.96 -1.25 0.00 0.00 0.00 175.76 177.49 1xwn s PRO 118 N -2.34 3.88 -0.30 0.00 0.04 -1.26 -3.87 135.00 131.15 1xwn s PRO 118 Ca 0.32 2.35 0.02 0.00 0.04 0.00 0.00 61.00 63.74 1xwn s PRO 118 Cb -0.13 -4.18 0.16 0.00 0.04 0.00 0.00 34.50 30.39 1xwn s PRO 118 CO 0.25 -1.24 0.41 0.95 0.04 0.00 0.00 177.00 177.41 1xwn s THR 119 N 5.37 -0.62 -0.16 1.26 -4.23 -1.15 -4.94 115.64 111.16 1xwn s THR 119 Ca 0.88 -0.34 0.21 0.00 -1.18 0.00 0.00 61.69 61.26 1xwn s THR 119 Cb -0.38 -0.94 -0.12 0.00 1.34 0.00 0.00 72.50 72.40 1xwn s THR 119 CO 0.38 -0.31 0.82 0.00 -0.54 0.00 0.00 174.62 174.97 1xwn n GLN 120 N 5.25 0.63 0.26 3.99 6.02 -1.26 -4.12 117.38 128.14 1xwn n GLN 120 Ca 0.02 0.07 0.15 0.00 -0.01 0.00 0.00 57.00 57.22 1xwn n GLN 120 Cb 0.49 -1.74 0.85 0.00 1.02 0.00 0.00 30.24 30.86 1xwn n GLN 120 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1xwn h TRP 121 N 0.00 0.00 -0.00 1.08 0.09 -1.94 0.27 115.95 115.44 1xwn h TRP 121 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.91 1xwn h TRP 121 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.44 1xwn h TRP 121 CO 0.00 0.00 -0.12 1.47 0.09 0.00 0.00 178.44 179.88 1xwn n LEU 122 N -3.95 0.52 -4.57 0.11 -0.00 -1.26 -4.74 117.00 103.11 1xwn n LEU 122 Ca -0.02 -0.02 -0.19 0.00 -0.00 0.00 0.00 56.01 55.79 1xwn n LEU 122 Cb 0.16 -0.17 -0.07 0.00 -0.00 0.00 0.00 43.42 43.33 1xwn n LEU 122 CO 0.29 0.10 1.25 -0.62 -0.00 0.00 0.00 177.39 178.41 1xwn s ASP 123 N -2.46 4.23 0.00 1.45 -1.08 0.08 -1.46 116.67 117.43 1xwn s ASP 123 Ca 0.29 -0.54 0.00 0.00 -0.52 0.00 0.00 52.55 51.78 1xwn s ASP 123 Cb 0.20 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1xwn s ASP 123 CO 0.47 -3.69 0.00 0.61 0.52 0.00 0.00 175.17 173.08 1xwn n GLY 124 N 6.58 1.78 0.16 2.66 0.00 -1.26 -5.01 105.19 110.10 1xwn n GLY 124 Ca 0.44 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.31 -6.14 1.61 1.79 -1.57 -3.45 116.57 108.50 1xwn h LYS 125 Ca 0.00 0.02 -0.64 0.00 -2.18 0.00 0.00 60.65 57.86 1xwn h LYS 125 Cb 0.00 0.07 -0.08 0.00 -1.58 0.00 0.00 32.23 30.64 1xwn h LYS 125 CO 0.00 0.04 -0.59 -1.01 -1.08 0.00 0.00 179.45 176.82 1xwn s HIS 126 N -4.41 3.24 0.42 -1.35 3.76 -1.25 -5.01 115.29 110.69 1xwn s HIS 126 Ca -0.14 0.10 -0.10 0.00 -0.15 0.00 0.00 55.06 54.78 1xwn s HIS 126 Cb 0.02 -1.64 -0.06 0.00 1.11 0.00 0.00 32.58 32.01 1xwn s HIS 126 CO 0.55 0.53 0.78 0.99 -0.85 0.00 0.00 174.74 176.74 1xwn s THR 127 N -1.41 4.80 0.82 1.30 2.01 -1.06 -4.94 115.64 117.17 1xwn s THR 127 Ca 0.30 0.56 -0.08 0.00 0.31 0.00 0.00 61.69 62.79 1xwn s THR 127 Cb -0.12 -3.76 0.18 0.00 0.01 0.00 0.00 72.50 68.81 1xwn s THR 127 CO 0.23 -0.59 1.12 0.00 -0.69 0.00 0.00 174.62 174.69 1xwn n ILE 128 N -1.50 0.00 0.00 1.82 3.06 -1.26 0.11 119.36 121.59 1xwn n ILE 128 Ca 0.02 -1.25 0.00 0.00 -2.50 0.00 0.00 62.75 59.03 1xwn n ILE 128 Cb 0.54 -1.21 0.00 0.00 0.54 0.00 0.00 39.64 39.52 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 -3.27 0.00 -3.87 9.51 1.16 -1.07 -3.52 117.46 116.40 1xwn n PHE 129 Ca 0.16 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.63 1xwn n PHE 129 Cb 0.56 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.45 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 -0.60 1.31 3.19 4.97 0.00 -0.04 -3.42 105.19 110.61 1xwn n GLY 130 Ca 0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.30 1.06 -0.27 1.61 0.52 -0.63 -1.50 118.95 117.42 1xwn s ARG 131 Ca 0.20 -1.52 -0.02 0.00 -0.52 0.00 0.00 55.73 53.87 1xwn s ARG 131 Cb -0.04 0.07 0.09 0.00 0.52 0.00 0.00 34.95 35.59 1xwn s ARG 131 CO 0.15 -0.25 0.09 0.14 0.02 0.00 0.00 175.30 175.44 1xwn s VAL 132 N -3.94 0.57 -0.18 3.52 -7.23 -1.20 -1.40 120.40 110.54 1xwn s VAL 132 Ca 0.27 -1.03 -0.17 0.00 -1.81 0.00 0.00 61.98 59.25 1xwn s VAL 132 Cb 0.07 -1.34 -0.13 0.00 0.56 0.00 0.00 36.38 35.54 1xwn s VAL 132 CO 0.05 -0.56 0.07 0.00 -0.31 0.00 0.00 175.10 174.35 1xwn s GLN 134 N -2.31 3.04 0.00 0.00 -0.21 -1.21 -4.51 119.66 114.46 1xwn s GLN 134 Ca -0.23 -3.00 0.00 0.00 0.02 0.00 0.00 55.36 52.15 1xwn s GLN 134 Cb 0.04 -3.89 0.00 0.00 1.00 0.00 0.00 33.01 30.16 1xwn s GLN 134 CO 0.45 -1.24 0.00 0.41 -2.12 0.00 0.00 175.29 172.79 1xwn n GLY 135 N 2.78 0.20 0.39 3.09 0.00 -1.26 0.66 105.19 111.05 1xwn n GLY 135 Ca 0.17 0.00 0.24 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 0.42 -0.88 -0.61 2.10 -1.79 0.17 117.51 116.91 1xwn h ILE 136 Ca 0.00 -0.13 0.08 0.00 1.08 0.00 0.00 64.86 65.89 1xwn h ILE 136 Cb 0.00 0.02 -0.06 0.00 -1.09 0.00 0.00 36.82 35.69 1xwn h ILE 136 CO 0.00 0.07 0.57 1.23 -1.08 0.00 0.00 178.15 178.94 1xwn h GLY 137 N 0.37 1.27 1.52 8.18 0.00 -1.94 -1.27 103.07 111.20 1xwn h GLY 137 Ca 0.67 -0.38 -0.14 0.00 0.00 0.00 0.00 47.33 47.47 1xwn h GLY 137 CO -0.41 0.25 -0.49 1.98 0.00 0.00 0.00 176.54 177.87 1xwn h MET 138 N 0.94 0.51 -0.01 4.80 1.85 -1.02 -2.73 114.93 119.28 1xwn h MET 138 Ca 0.39 -0.29 -0.11 0.00 -0.61 0.00 0.00 59.70 59.08 1xwn h MET 138 Cb 0.31 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.34 1xwn h MET 138 CO -0.16 0.89 -0.53 0.28 -0.40 0.00 0.00 176.91 176.99 1xwn h VAL 139 N 0.41 1.38 -0.06 -5.77 2.07 -1.12 -3.00 116.25 110.16 1xwn h VAL 139 Ca 0.02 -1.81 -0.23 0.00 0.82 0.00 0.00 66.70 65.50 1xwn h VAL 139 Cb 1.00 1.97 0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1xwn h VAL 139 CO 0.09 0.52 -0.89 0.78 0.02 0.00 0.00 177.57 178.09 1xwn h ASN 140 N 0.02 0.75 0.40 0.57 4.21 -1.16 -3.24 115.58 117.14 1xwn h ASN 140 Ca -0.00 -0.55 -0.08 0.00 1.21 0.00 0.00 56.30 56.87 1xwn h ASN 140 Cb 0.94 -0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.90 1xwn h ASN 140 CO 0.07 1.34 -0.37 0.08 -1.29 0.00 0.00 177.43 177.27 1xwn h ARG 141 N 0.37 0.00 -0.54 0.81 0.11 -1.44 -2.34 114.38 111.35 1xwn h ARG 141 Ca -0.08 0.00 0.10 0.00 0.10 0.00 0.00 59.98 60.10 1xwn h ARG 141 Cb 1.52 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.57 1xwn h ARG 141 CO 0.17 0.37 0.37 0.28 0.10 0.00 0.00 179.97 181.26 1xwn h VAL 142 N 0.00 0.87 0.02 0.08 2.07 -1.55 -1.97 116.25 115.77 1xwn h VAL 142 Ca -0.00 -0.10 -0.33 0.00 0.82 0.00 0.00 66.70 67.08 1xwn h VAL 142 Cb 0.67 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 30.93 1xwn h VAL 142 CO 0.05 0.06 -1.99 0.61 0.02 0.00 0.00 177.57 176.31 1xwn n GLY 143 N -1.54 -0.89 0.30 2.17 0.00 -1.08 -4.22 105.19 99.93 1xwn n GLY 143 Ca 0.09 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.99 1xwn n GLY 143 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1xwn h MET 144 N 0.01 0.44 -7.17 1.61 2.07 -0.88 -3.43 114.93 107.58 1xwn h MET 144 Ca -0.40 -0.03 -0.42 0.00 -2.07 0.00 0.00 59.70 56.79 1xwn h MET 144 Cb 2.07 -0.10 0.20 0.00 -1.87 0.00 0.00 31.60 31.91 1xwn h MET 144 CO 0.05 0.30 0.01 0.14 1.07 0.00 0.00 176.91 178.48 1xwn s VAL 145 N -5.40 1.69 0.12 -2.22 -7.23 -0.79 -4.89 120.40 101.68 1xwn s VAL 145 Ca -0.08 0.00 -0.32 0.00 -1.81 0.00 0.00 61.98 59.78 1xwn s VAL 145 Cb 0.17 -2.19 -0.11 0.00 0.56 0.00 0.00 36.38 34.81 1xwn s VAL 145 CO 0.72 0.00 1.80 1.21 -0.31 0.00 0.00 175.10 178.52 1xwn n GLU 146 N -5.05 2.67 -4.49 4.82 2.13 -1.26 -4.92 120.64 114.54 1xwn n GLU 146 Ca 0.08 0.97 -0.27 0.00 0.66 0.00 0.00 57.16 58.60 1xwn n GLU 146 Cb 0.57 -2.84 -0.10 0.00 0.27 0.00 0.00 31.44 29.34 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 2.40 2.20 0.73 6.31 -4.23 -1.26 -0.89 115.64 120.90 1xwn s THR 147 Ca 0.81 -2.01 -0.12 0.00 -1.18 0.00 0.00 61.69 59.19 1xwn s THR 147 Cb -0.52 -2.88 0.17 0.00 1.34 0.00 0.00 72.50 70.61 1xwn s THR 147 CO 0.38 -0.08 0.99 0.59 -0.54 0.00 0.00 174.62 175.96 1xwn n ASN 148 N -0.96 0.08 -2.24 3.99 5.03 0.78 -4.71 115.26 117.23 1xwn n ASN 148 Ca -0.04 -1.36 -0.22 0.00 0.87 0.00 0.00 54.58 53.83 1xwn n ASN 148 Cb 0.65 -0.76 -0.04 0.00 -1.02 0.00 0.00 39.78 38.61 1xwn n ASN 148 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 1xwn n SER 149 N -3.64 6.30 0.02 6.41 2.88 -1.26 -4.39 113.62 119.94 1xwn n SER 149 Ca 0.12 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.60 1xwn n SER 149 Cb 0.43 -1.20 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1xwn n SER 149 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwn n GLN 150 N 0.93 0.00 0.00 -1.46 10.64 -1.26 -5.03 117.38 121.20 1xwn n GLN 150 Ca 0.42 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.59 1xwn n GLN 150 Cb 0.60 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.98 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1xwn n ASP 151 N -2.11 0.00 -3.97 2.61 8.00 -1.26 -5.05 116.55 114.76 1xwn n ASP 151 Ca 0.00 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.19 1xwn n ASP 151 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1xwn s ARG 152 N 0.00 1.54 -0.18 -1.24 3.52 -1.26 -4.26 118.95 117.08 1xwn s ARG 152 Ca 0.00 -1.47 -0.34 0.00 -0.13 0.00 0.00 55.73 53.78 1xwn s ARG 152 Cb 0.00 -2.84 -0.11 0.00 -1.56 0.00 0.00 34.95 30.44 1xwn s ARG 152 CO 0.00 -0.80 1.97 -2.30 -0.81 0.00 0.00 175.30 173.35 1xwn n PRO 153 N 4.46 1.83 0.11 5.12 -0.02 -1.26 -0.15 135.00 145.09 1xwn n PRO 153 Ca -0.04 0.63 0.04 0.00 -2.02 0.00 0.00 63.50 62.11 1xwn n PRO 153 Cb 0.42 -2.61 0.44 0.00 -0.02 0.00 0.00 33.50 31.74 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 5.94 1.13 -1.89 -1.45 2.07 -1.29 -3.43 116.25 117.32 1xwn h VAL 154 Ca -0.43 -0.49 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 1xwn h VAL 154 Cb 1.28 0.99 0.02 0.00 -1.52 0.00 0.00 31.29 32.06 1xwn h VAL 154 CO 0.97 0.16 0.02 0.47 0.02 0.00 0.00 177.57 179.21 1xwn n ASP 155 N -4.37 -0.64 -4.13 0.57 9.92 -1.24 -5.05 116.55 111.60 1xwn n ASP 155 Ca -0.00 -0.76 -0.33 0.00 -0.53 0.00 0.00 54.79 53.16 1xwn n ASP 155 Cb 0.18 -0.10 -0.15 0.00 -0.64 0.00 0.00 41.12 40.42 1xwn n ASP 155 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1xwn s ASP 156 N -1.65 4.14 -0.20 -2.24 1.11 -1.26 -5.09 116.67 111.48 1xwn s ASP 156 Ca 0.07 -1.04 0.01 0.00 0.18 0.00 0.00 52.55 51.77 1xwn s ASP 156 Cb -0.00 -1.59 0.05 0.00 1.07 0.00 0.00 42.92 42.45 1xwn s ASP 156 CO 0.05 -0.13 -0.08 0.54 1.18 0.00 0.00 175.17 176.73 1xwn s VAL 157 N 1.23 1.53 0.29 -1.27 0.11 -1.26 -4.49 120.40 116.54 1xwn s VAL 157 Ca -0.02 -1.01 -0.04 0.00 -2.93 0.00 0.00 61.98 57.97 1xwn s VAL 157 Cb -0.17 -1.67 -0.01 0.00 -1.53 0.00 0.00 36.38 33.00 1xwn s VAL 157 CO -0.06 0.08 0.41 -1.59 -3.33 0.00 0.00 175.10 170.61 1xwn s LYS 158 N 1.43 1.69 -0.05 1.54 -2.85 -1.26 -3.61 119.74 116.63 1xwn s LYS 158 Ca -0.02 -1.62 0.04 0.00 -1.00 0.00 0.00 55.97 53.37 1xwn s LYS 158 Cb -0.17 0.41 -0.02 0.00 -2.06 0.00 0.00 37.83 35.99 1xwn s LYS 158 CO -0.08 -0.68 -0.16 0.42 0.10 0.00 0.00 175.35 174.96 1xwn s ILE 159 N -3.51 2.89 -0.04 3.79 1.01 -0.06 -0.24 121.20 125.03 1xwn s ILE 159 Ca 0.30 -0.79 0.03 0.00 0.00 0.00 0.00 60.65 60.20 1xwn s ILE 159 Cb 0.01 -2.12 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 1xwn s ILE 159 CO 0.16 0.59 0.01 2.30 0.00 0.00 0.00 174.94 178.00 1xwn n ILE 160 N 2.39 0.27 -3.64 2.92 -0.00 -1.22 0.40 119.36 120.48 1xwn n ILE 160 Ca -0.17 -0.16 -0.15 0.00 -0.00 0.00 0.00 62.75 62.27 1xwn n ILE 160 Cb 0.52 -0.88 -0.07 0.00 -0.00 0.00 0.00 39.64 39.21 1xwn n ILE 160 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 1xwn s LYS 161 N -2.10 0.89 -0.26 6.28 0.00 -1.07 -4.57 119.74 118.91 1xwn s LYS 161 Ca -0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 55.97 55.86 1xwn s LYS 161 Cb 0.01 0.41 0.15 0.00 0.00 0.00 0.00 37.83 38.40 1xwn s LYS 161 CO 0.16 -0.28 0.48 0.00 0.00 0.00 0.00 175.35 175.71 1xwn s ALA 162 N -1.57 -1.59 0.07 0.59 0.00 -1.26 -2.18 121.76 115.81 1xwn s ALA 162 Ca -0.11 1.38 -0.07 0.00 0.00 0.00 0.00 51.96 53.17 1xwn s ALA 162 Cb -0.02 -1.85 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 1xwn s ALA 162 CO 0.05 -1.24 0.13 1.52 0.00 0.00 0.00 175.76 176.22 1xwn s TYR 163 N 2.69 0.22 0.47 0.00 -0.85 -0.98 -4.37 117.35 114.52 1xwn s TYR 163 Ca 0.14 -0.62 -0.19 0.00 -0.52 0.00 0.00 57.07 55.89 1xwn s TYR 163 Cb -0.15 -0.13 -0.09 0.00 0.38 0.00 0.00 41.96 41.97 1xwn s TYR 163 CO -0.18 -0.47 0.97 -2.14 -1.52 0.00 0.00 175.55 172.21 1xwn s PRO 164 N -3.47 4.08 -0.28 -3.49 0.02 -1.26 -1.27 135.00 129.32 1xwn s PRO 164 Ca 0.02 1.03 -0.25 0.00 0.02 0.00 0.00 61.00 61.82 1xwn s PRO 164 Cb 0.04 -2.16 0.14 0.00 0.02 0.00 0.00 34.50 32.53 1xwn s PRO 164 CO -0.09 -0.16 1.12 -1.54 -0.33 0.00 0.00 177.00 176.01 1xwn s SER 165 N -2.66 -0.36 0.00 2.53 1.04 -1.24 -4.78 113.70 108.23 1xwn s SER 165 Ca 0.60 0.69 0.15 0.00 0.48 0.00 0.00 55.95 57.87 1xwn s SER 165 Cb -0.09 0.70 0.12 0.00 0.10 0.00 0.00 66.02 66.84 1xwn s SER 165 CO 0.23 -0.13 0.96 0.61 0.98 0.00 0.00 173.24 175.89