#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwn n ALA 2 N 0.00 -3.44 0.01 3.04 0.00 -1.26 -5.04 120.51 113.82 1xwn n ALA 2 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.27 1xwn n ALA 2 Cb 0.00 -1.64 0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 0.77 2.09 -3.68 0.00 0.00 -1.26 -5.04 120.51 113.39 1xwn n ALA 3 Ca -0.10 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.97 1xwn n ALA 3 Cb 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.51 1xwn n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xwn s ILE 4 N -2.00 3.84 0.69 0.00 1.01 -1.26 -5.09 121.20 118.39 1xwn s ILE 4 Ca 0.00 -2.65 -0.14 0.00 0.00 0.00 0.00 60.65 57.85 1xwn s ILE 4 Cb 0.00 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 38.97 1xwn s ILE 4 CO 0.00 -0.85 1.13 -2.16 0.00 0.00 0.00 174.94 173.06 1xwn s PRO 5 N 0.30 2.58 0.34 2.79 0.04 -1.26 -4.96 135.00 134.83 1xwn s PRO 5 Ca 0.14 1.44 0.09 0.00 0.04 0.00 0.00 61.00 62.72 1xwn s PRO 5 Cb -0.20 -1.92 0.62 0.00 0.04 0.00 0.00 34.50 33.03 1xwn s PRO 5 CO -0.04 -1.43 1.79 -1.00 0.04 0.00 0.00 177.00 176.36 1xwn h PRO 6 N -0.19 0.16 -5.54 0.56 0.13 -2.07 -3.45 132.00 121.60 1xwn h PRO 6 Ca -0.46 -0.06 -0.63 0.00 -0.87 0.00 0.00 66.00 63.97 1xwn h PRO 6 Cb 1.25 -0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.27 1xwn h PRO 6 CO 0.53 0.48 -0.48 0.16 -0.23 0.00 0.00 178.00 178.46 1xwn s ASP 7 N -6.90 4.26 0.02 1.44 1.47 -1.26 -5.09 116.67 110.61 1xwn s ASP 7 Ca -0.04 -1.43 -0.02 0.00 1.18 0.00 0.00 52.55 52.24 1xwn s ASP 7 Cb 0.14 0.22 -0.01 0.00 -0.34 0.00 0.00 42.92 42.93 1xwn s ASP 7 CO 0.75 -0.81 -0.05 -1.20 0.68 0.00 0.00 175.17 174.54 1xwn n SER 8 N -1.34 0.76 -1.14 2.11 7.64 -1.26 -5.14 113.62 115.25 1xwn n SER 8 Ca -0.10 0.11 0.14 0.00 1.01 0.00 0.00 58.87 60.02 1xwn n SER 8 Cb 0.66 -0.26 -0.07 0.00 -1.01 0.00 0.00 64.21 63.53 1xwn n SER 8 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1xwn n TRP 9 N -3.40 -3.05 -3.59 1.43 7.02 -1.26 -4.87 117.44 109.71 1xwn n TRP 9 Ca -0.04 1.67 -0.28 0.00 -1.02 0.00 0.00 57.50 57.83 1xwn n TRP 9 Cb 0.30 -2.77 -0.11 0.00 -2.42 0.00 0.00 31.31 26.30 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 -3.83 1.46 0.17 -0.99 -0.21 -1.26 -5.00 119.66 110.01 1xwn s GLN 10 Ca 0.00 -2.51 -0.15 0.00 0.02 0.00 0.00 55.36 52.72 1xwn s GLN 10 Cb 0.00 -2.18 0.13 0.00 1.00 0.00 0.00 33.01 31.96 1xwn s GLN 10 CO 0.00 -1.33 1.72 -1.35 -2.12 0.00 0.00 175.29 172.21 1xwn h PRO 11 N 5.67 0.21 -5.74 2.91 0.11 -1.99 -3.32 132.00 129.85 1xwn h PRO 11 Ca 0.20 -0.01 -0.68 0.00 0.11 0.00 0.00 66.00 65.62 1xwn h PRO 11 Cb 0.86 -0.05 -0.09 0.00 0.11 0.00 0.00 31.00 31.83 1xwn h PRO 11 CO 0.50 0.14 2.03 -1.25 -0.21 0.00 0.00 178.00 179.21 1xwn s PRO 12 N -6.16 3.96 -0.35 1.05 0.04 -1.26 -4.85 135.00 127.44 1xwn s PRO 12 Ca -0.13 -1.99 0.03 0.00 0.04 0.00 0.00 61.00 58.94 1xwn s PRO 12 Cb 0.14 -5.46 0.10 0.00 0.04 0.00 0.00 34.50 29.32 1xwn s PRO 12 CO 0.72 -2.19 0.08 1.21 0.04 0.00 0.00 177.00 176.85 1xwn s ASN 13 N 4.12 4.85 0.11 6.66 3.04 -1.25 -2.86 114.94 129.61 1xwn s ASN 13 Ca 0.52 -2.14 -0.08 0.00 0.04 0.00 0.00 52.86 51.19 1xwn s ASN 13 Cb 0.03 -1.67 -0.06 0.00 -1.54 0.00 0.00 41.25 38.01 1xwn s ASN 13 CO 0.05 -0.41 0.40 0.68 -3.04 0.00 0.00 177.10 174.79 1xwn s VAL 14 N 0.93 5.11 -0.27 -5.21 -7.23 0.06 -3.07 120.40 110.73 1xwn s VAL 14 Ca 0.11 0.32 0.03 0.00 -1.81 0.00 0.00 61.98 60.62 1xwn s VAL 14 Cb -0.20 -3.63 0.07 0.00 0.56 0.00 0.00 36.38 33.17 1xwn s VAL 14 CO -0.07 0.19 -0.08 -0.31 -0.31 0.00 0.00 175.10 174.51 1xwn s TYR 15 N -1.51 3.18 -0.55 2.82 1.51 -0.85 -1.12 117.35 120.83 1xwn s TYR 15 Ca 0.36 -2.31 -0.22 0.00 -1.01 0.00 0.00 57.07 53.89 1xwn s TYR 15 Cb -0.13 -1.99 0.05 0.00 -0.11 0.00 0.00 41.96 39.78 1xwn s TYR 15 CO 0.20 -0.87 0.81 -0.51 -1.11 0.00 0.00 175.55 174.07 1xwn s LEU 16 N 1.13 4.50 -0.82 -1.29 1.43 -0.80 -1.60 118.68 121.22 1xwn s LEU 16 Ca -0.06 -0.66 -0.26 0.00 -1.03 0.00 0.00 54.13 52.12 1xwn s LEU 16 Cb -0.20 -2.63 0.04 0.00 0.03 0.00 0.00 46.19 43.43 1xwn s LEU 16 CO -0.06 -1.11 1.33 -1.61 0.23 0.00 0.00 176.35 175.13 1xwn s GLU 17 N 3.41 3.30 0.26 1.70 0.41 -0.43 -3.17 118.70 124.17 1xwn s GLU 17 Ca 0.23 -0.49 0.07 0.00 -0.41 0.00 0.00 54.97 54.37 1xwn s GLU 17 Cb -0.16 -4.53 -0.04 0.00 -1.78 0.00 0.00 34.13 27.63 1xwn s GLU 17 CO 0.15 -2.17 0.18 0.95 -0.49 0.00 0.00 175.26 173.88 1xwn s THR 18 N 5.54 4.34 0.28 3.63 -4.23 -0.51 -1.73 115.64 122.96 1xwn s THR 18 Ca 0.38 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.44 1xwn s THR 18 Cb -0.06 -3.35 0.16 0.00 1.34 0.00 0.00 72.50 70.59 1xwn s THR 18 CO 0.08 -0.35 1.83 -1.28 -0.54 0.00 0.00 174.62 174.36 1xwn h SER 19 N 1.51 0.77 0.02 3.99 0.87 -0.08 -2.36 113.55 118.27 1xwn h SER 19 Ca -0.48 -0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 59.89 1xwn h SER 19 Cb 1.24 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 1xwn h SER 19 CO 0.61 0.76 -0.14 -0.03 -0.53 0.00 0.00 176.83 177.49 1xwn h MET 20 N 0.80 0.26 0.00 2.24 1.85 -1.87 -3.48 114.93 114.73 1xwn h MET 20 Ca 0.18 -0.06 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 1xwn h MET 20 Cb 0.29 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.29 1xwn h MET 20 CO -0.00 0.41 0.00 0.41 -0.40 0.00 0.00 176.91 177.33 1xwn n GLY 21 N -0.82 -0.84 3.07 1.39 0.00 -0.89 -5.09 105.19 102.01 1xwn n GLY 21 Ca -0.01 -0.99 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 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 -3.00 1.85 0.24 -0.61 2.07 -1.26 -1.43 121.20 119.06 1xwn s ILE 22 Ca 0.00 -0.88 0.10 0.00 -1.41 0.00 0.00 60.65 58.46 1xwn s ILE 22 Cb 0.00 -1.73 -0.04 0.00 0.13 0.00 0.00 42.46 40.81 1xwn s ILE 22 CO 0.00 0.44 -0.10 0.27 -1.91 0.00 0.00 174.94 173.63 1xwn s ILE 23 N 1.36 3.01 -0.15 2.00 -4.36 -1.19 -4.84 121.20 117.02 1xwn s ILE 23 Ca 0.03 -2.01 0.01 0.00 -0.26 0.00 0.00 60.65 58.42 1xwn s ILE 23 Cb -0.14 -2.56 0.02 0.00 1.25 0.00 0.00 42.46 41.03 1xwn s ILE 23 CO -0.11 -0.30 -0.16 -0.69 0.24 0.00 0.00 174.94 173.92 1xwn s VAL 24 N -2.18 1.74 0.19 8.37 1.01 0.26 -1.91 120.40 127.89 1xwn s VAL 24 Ca 0.29 -0.74 0.09 0.00 0.00 0.00 0.00 61.98 61.61 1xwn s VAL 24 Cb -0.07 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1xwn s VAL 24 CO 0.16 0.49 -0.10 -0.76 0.00 0.00 0.00 175.10 174.89 1xwn s LEU 25 N 1.36 2.93 -0.24 3.92 1.43 -0.28 -3.51 118.68 124.29 1xwn s LEU 25 Ca 0.04 -0.63 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 1xwn s LEU 25 Cb -0.13 -1.60 0.03 0.00 0.03 0.00 0.00 46.19 44.52 1xwn s LEU 25 CO -0.10 0.09 -0.08 -0.70 0.23 0.00 0.00 176.35 175.79 1xwn s GLU 26 N -2.92 2.82 -0.26 1.70 2.12 -0.79 -0.76 118.70 120.61 1xwn s GLU 26 Ca 0.25 -0.98 -0.15 0.00 0.36 0.00 0.00 54.97 54.45 1xwn s GLU 26 Cb -0.08 -2.92 -0.04 0.00 0.26 0.00 0.00 34.13 31.35 1xwn s GLU 26 CO 0.15 -0.38 0.39 -0.51 -0.54 0.00 0.00 175.26 174.37 1xwn s LEU 27 N 1.30 4.05 -0.53 2.70 2.01 -1.14 -1.94 118.68 125.14 1xwn s LEU 27 Ca 0.00 0.33 -0.28 0.00 0.01 0.00 0.00 54.13 54.20 1xwn s LEU 27 Cb -0.16 -2.46 -0.00 0.00 0.01 0.00 0.00 46.19 43.58 1xwn s LEU 27 CO -0.06 -0.18 1.63 -0.31 1.01 0.00 0.00 176.35 178.44 1xwn s TYR 28 N 2.03 2.00 -0.62 0.29 1.51 -1.22 -4.68 117.35 116.65 1xwn s TYR 28 Ca 0.16 0.60 0.02 0.00 -1.01 0.00 0.00 57.07 56.83 1xwn s TYR 28 Cb -0.16 -4.25 0.12 0.00 -0.11 0.00 0.00 41.96 37.56 1xwn s TYR 28 CO 0.10 -2.28 0.83 -2.67 -1.11 0.00 0.00 175.55 170.42 1xwn n TRP 29 N 10.67 0.36 -0.04 2.71 4.27 -1.26 -2.07 117.44 132.08 1xwn n TRP 29 Ca 0.17 -0.30 -0.04 0.00 -3.89 0.00 0.00 57.50 53.44 1xwn n TRP 29 Cb 0.50 -0.22 -0.01 0.00 -1.36 0.00 0.00 31.31 30.21 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 0.15 0.24 -0.00 -2.67 4.76 -1.26 -4.45 118.16 114.92 1xwn n LYS 30 Ca 0.06 0.09 0.10 0.00 -2.87 0.00 0.00 58.31 55.69 1xwn n LYS 30 Cb 0.48 -0.92 -0.12 0.00 -1.84 0.00 0.00 35.03 32.64 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 -3.39 0.00 0.85 2.13 8.25 -1.26 -4.40 115.22 117.41 1xwn n HIS 31 Ca -0.06 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.52 1xwn n HIS 31 Cb 0.23 -0.07 0.12 0.00 1.12 0.00 0.00 29.99 31.40 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 -1.59 2.45 -0.46 -1.41 0.00 -0.88 -4.62 120.51 114.00 1xwn n ALA 32 Ca 0.03 -0.75 0.39 0.00 0.00 0.00 0.00 53.44 53.11 1xwn n ALA 32 Cb 0.35 -0.82 0.67 0.00 0.00 0.00 0.00 19.45 19.65 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 0.03 0.20 0.00 0.11 -1.77 0.95 132.00 136.17 1xwn h PRO 33 Ca 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1xwn h PRO 33 Cb 0.99 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1xwn h PRO 33 CO 0.00 0.02 -0.10 -0.22 -0.21 0.00 0.00 178.00 177.49 1xwn h LYS 34 N 0.03 -0.26 -0.28 1.05 1.63 -1.94 -2.08 116.57 114.72 1xwn h LYS 34 Ca 0.86 0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 60.55 1xwn h LYS 34 Cb 2.76 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 34.44 1xwn h LYS 34 CO -0.45 0.11 -0.38 1.79 -3.45 0.00 0.00 179.45 177.07 1xwn h THR 35 N -0.71 1.29 -0.05 1.00 1.35 -1.03 -2.79 112.91 111.97 1xwn h THR 35 Ca -0.03 -1.54 0.01 0.00 -0.55 0.00 0.00 66.41 64.31 1xwn h THR 35 Cb 0.49 1.48 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1xwn h THR 35 CO 0.05 0.49 -0.02 0.00 -0.25 0.00 0.00 175.52 175.79 1xwn h LYS 37 N -0.01 1.25 -0.60 0.00 1.57 -1.35 -1.61 116.57 115.82 1xwn h LYS 37 Ca 0.03 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1xwn h LYS 37 Cb 0.05 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 1xwn h LYS 37 CO -0.06 0.83 0.29 -0.97 -0.57 0.00 0.00 179.45 178.97 1xwn h ASN 38 N 1.29 0.78 0.23 0.86 -0.73 -1.15 -0.34 115.58 116.53 1xwn h ASN 38 Ca 0.38 -0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.41 1xwn h ASN 38 Cb -0.07 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.32 1xwn h ASN 38 CO -0.10 0.69 -0.11 0.15 -0.37 0.00 0.00 177.43 177.69 1xwn h PHE 39 N 0.82 -0.29 -0.10 0.67 3.04 -0.38 0.11 116.94 120.80 1xwn h PHE 39 Ca 0.21 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.16 1xwn h PHE 39 Cb 0.12 0.10 -0.01 0.00 2.56 0.00 0.00 35.95 38.71 1xwn h PHE 39 CO -0.00 -0.15 0.04 0.00 -2.02 0.00 0.00 178.31 176.18 1xwn h ALA 40 N 0.40 0.11 0.11 2.41 0.00 -1.22 -0.24 119.26 120.83 1xwn h ALA 40 Ca -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xwn h ALA 40 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1xwn h ALA 40 CO 0.05 -0.42 -0.05 1.49 0.00 0.00 0.00 179.25 180.32 1xwn h GLU 41 N 0.09 -0.14 0.00 0.00 4.57 -0.99 -1.60 114.58 116.50 1xwn h GLU 41 Ca 0.04 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.22 1xwn h GLU 41 Cb 0.02 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1xwn h GLU 41 CO -0.04 -0.07 -0.05 1.25 -1.18 0.00 0.00 179.01 178.92 1xwn h LEU 42 N -0.16 0.00 -0.03 1.64 6.46 -0.68 0.63 115.31 123.17 1xwn h LEU 42 Ca -0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.73 1xwn h LEU 42 Cb 0.13 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1xwn h LEU 42 CO 0.02 0.05 -0.03 0.00 -0.62 0.00 0.00 178.44 177.85 1xwn h ALA 43 N 1.95 0.04 0.00 1.25 0.00 -0.59 -3.02 119.26 118.89 1xwn h ALA 43 Ca -0.00 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1xwn h ALA 43 Cb 0.08 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1xwn h ALA 43 CO 0.01 -0.17 -0.77 0.07 0.00 0.00 0.00 179.25 178.39 1xwn h ARG 44 N -0.41 0.00 -0.60 0.00 0.11 -0.97 -3.25 114.38 109.25 1xwn h ARG 44 Ca 0.00 0.00 0.13 0.00 0.10 0.00 0.00 59.98 60.22 1xwn h ARG 44 Cb 0.55 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.60 1xwn h ARG 44 CO 0.01 0.77 0.41 -0.09 0.10 0.00 0.00 179.97 181.17 1xwn h ARG 45 N 0.00 0.21 0.00 0.08 2.43 0.22 -3.46 114.38 113.87 1xwn h ARG 45 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1xwn h ARG 45 Cb 1.42 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.92 1xwn h ARG 45 CO 0.10 0.14 0.00 0.41 -1.51 0.00 0.00 179.97 179.11 1xwn n GLY 46 N -1.57 0.82 1.29 2.80 0.00 -1.23 -5.07 105.19 102.23 1xwn n GLY 46 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1xwn n GLY 46 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xwn n TYR 47 N 0.00 -0.35 0.23 1.61 4.02 -1.14 -4.79 117.16 116.73 1xwn n TYR 47 Ca 0.00 0.06 0.07 0.00 -0.01 0.00 0.00 57.90 58.02 1xwn n TYR 47 Cb 0.00 0.15 0.59 0.00 -0.02 0.00 0.00 39.34 40.06 1xwn n TYR 47 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1xwn h TYR 48 N 0.00 0.04 -2.82 -0.72 0.05 -1.78 -3.40 116.97 108.35 1xwn h TYR 48 Ca 0.00 -0.00 -0.56 0.00 0.05 0.00 0.00 58.73 58.22 1xwn h TYR 48 Cb 0.37 -0.01 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 1xwn h TYR 48 CO 0.00 0.07 0.94 0.54 -1.05 0.00 0.00 178.16 178.66 1xwn s ASN 49 N -7.02 6.84 0.00 3.88 4.22 -1.26 -2.66 114.94 118.93 1xwn s ASN 49 Ca -0.05 1.95 0.00 0.00 -2.14 0.00 0.00 52.86 52.62 1xwn s ASN 49 Cb 0.17 -2.54 0.00 0.00 1.28 0.00 0.00 41.25 40.16 1xwn s ASN 49 CO 0.68 -0.80 0.00 0.61 -2.04 0.00 0.00 177.10 175.55 1xwn n GLY 50 N 3.77 2.53 3.69 0.45 0.00 0.83 -5.00 105.19 111.45 1xwn n GLY 50 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.41 2.11 -0.01 2.61 2.01 -1.09 -4.58 115.64 114.29 1xwn s THR 51 Ca 0.00 0.04 0.17 0.00 0.31 0.00 0.00 61.69 62.22 1xwn s THR 51 Cb 0.00 -2.24 0.29 0.00 0.01 0.00 0.00 72.50 70.57 1xwn s THR 51 CO 0.00 -0.04 1.12 2.29 -0.69 0.00 0.00 174.62 177.29 1xwn n LYS 52 N -3.82 0.05 -1.18 4.92 0.00 -1.26 0.28 118.16 117.16 1xwn n LYS 52 Ca 0.12 -1.72 0.16 0.00 -0.00 0.00 0.00 58.31 56.87 1xwn n LYS 52 Cb 0.51 -0.21 -0.04 0.00 -0.00 0.00 0.00 35.03 35.29 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 0.28 -3.34 0.00 5.58 3.01 -1.25 -3.97 117.46 117.77 1xwn n PHE 53 Ca 0.05 1.46 0.00 0.00 1.01 0.00 0.00 57.45 59.97 1xwn n PHE 53 Cb 0.99 -2.70 0.00 0.00 -0.01 0.00 0.00 39.48 37.76 1xwn n PHE 53 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 1xwn n HIS 54 N -3.68 0.00 -2.66 1.38 1.44 -1.25 -5.01 115.22 105.44 1xwn n HIS 54 Ca 0.01 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.29 1xwn n HIS 54 Cb 0.54 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.62 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 0.29 4.31 -0.07 -1.40 0.52 -1.26 -4.65 118.95 116.68 1xwn s ARG 55 Ca 0.00 1.38 0.01 0.00 -0.52 0.00 0.00 55.73 56.60 1xwn s ARG 55 Cb 0.00 -3.61 0.02 0.00 0.52 0.00 0.00 34.95 31.88 1xwn s ARG 55 CO 0.00 -0.53 -0.07 0.42 0.02 0.00 0.00 175.30 175.14 1xwn s ILE 56 N 2.82 0.82 -0.13 1.52 1.01 -1.26 -2.53 121.20 123.46 1xwn s ILE 56 Ca 0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.86 1xwn s ILE 56 Cb -0.16 -0.83 0.03 0.00 0.01 0.00 0.00 42.46 41.51 1xwn s ILE 56 CO 0.10 0.31 -0.06 -0.63 0.00 0.00 0.00 174.94 174.66 1xwn s ILE 57 N 1.19 1.01 0.09 2.92 1.01 0.28 -4.79 121.20 122.91 1xwn s ILE 57 Ca -0.06 -0.40 -0.31 0.00 0.00 0.00 0.00 60.65 59.88 1xwn s ILE 57 Cb -0.14 -1.10 -0.15 0.00 0.01 0.00 0.00 42.46 41.07 1xwn s ILE 57 CO -0.02 0.26 1.63 0.50 0.00 0.00 0.00 174.94 177.31 1xwn h LYS 58 N 8.17 -0.72 -1.98 2.79 3.11 -1.80 -2.18 116.57 123.95 1xwn h LYS 58 Ca -0.27 0.05 -0.41 0.00 -2.81 0.00 0.00 60.65 57.21 1xwn h LYS 58 Cb 1.12 0.16 -0.15 0.00 -1.00 0.00 0.00 32.23 32.37 1xwn h LYS 58 CO 0.39 -0.48 0.19 -0.25 -2.81 0.00 0.00 179.45 176.49 1xwn n ASP 59 N -5.45 6.15 0.00 4.20 8.00 -1.26 -4.58 116.55 123.61 1xwn n ASP 59 Ca -0.11 -3.01 0.00 0.00 0.71 0.00 0.00 54.79 52.38 1xwn n ASP 59 Cb 0.35 -1.27 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 1xwn n ASP 59 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1xwn n PHE 60 N 1.27 0.00 -3.83 1.24 3.72 -1.13 -4.94 117.46 113.79 1xwn n PHE 60 Ca 0.46 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.78 1xwn n PHE 60 Cb 0.65 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 39.19 1xwn n PHE 60 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xwn s MET 61 N 0.00 2.00 -0.18 -1.08 0.23 -0.83 -2.90 119.30 116.54 1xwn s MET 61 Ca 0.00 -1.23 -0.05 0.00 -1.03 0.00 0.00 55.69 53.38 1xwn s MET 61 Cb 0.00 0.60 0.06 0.00 -1.53 0.00 0.00 34.83 33.96 1xwn s MET 61 CO 0.00 -0.93 0.08 -1.50 -2.03 0.00 0.00 175.02 170.64 1xwn s ILE 62 N -2.84 -0.01 0.38 3.16 2.07 -0.64 -0.56 121.20 122.77 1xwn s ILE 62 Ca 0.14 -0.24 -0.06 0.00 -1.41 0.00 0.00 60.65 59.08 1xwn s ILE 62 Cb -0.05 -0.65 -0.05 0.00 0.13 0.00 0.00 42.46 41.84 1xwn s ILE 62 CO 0.09 -0.29 0.67 -1.10 -1.91 0.00 0.00 174.94 172.41 1xwn s GLN 63 N 2.10 3.64 -0.26 3.50 -0.21 -1.05 0.00 119.66 127.38 1xwn s GLN 63 Ca 0.02 0.15 -0.02 0.00 0.02 0.00 0.00 55.36 55.54 1xwn s GLN 63 Cb -0.16 -2.51 0.13 0.00 1.00 0.00 0.00 33.01 31.47 1xwn s GLN 63 CO -0.10 0.03 0.33 0.20 -2.12 0.00 0.00 175.29 173.62 1xwn s GLY 64 N -3.49 -0.27 0.39 3.09 0.00 0.20 -3.86 107.32 103.38 1xwn s GLY 64 Ca 0.46 0.29 -0.13 0.00 0.00 0.00 0.00 44.72 45.35 1xwn s GLY 64 CO 0.35 2.62 0.74 -0.32 0.00 0.00 0.00 173.10 176.49 1xwn s GLY 65 N 2.45 0.62 -1.05 0.20 0.00 -1.26 -2.93 107.32 105.35 1xwn s GLY 65 Ca 0.10 -0.93 -0.20 0.00 0.00 0.00 0.00 44.72 43.69 1xwn s GLY 65 CO -0.23 -0.46 0.68 2.09 0.00 0.00 0.00 173.10 175.19 1xwn n ASP 66 N -1.51 -4.76 -2.96 1.64 5.75 -1.23 -4.81 116.55 108.68 1xwn n ASP 66 Ca -0.07 -1.09 -0.32 0.00 -0.01 0.00 0.00 54.79 53.31 1xwn n ASP 66 Cb 0.60 -2.12 -0.06 0.00 -1.03 0.00 0.00 41.12 38.50 1xwn n ASP 66 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 1xwn n PRO 67 N -3.95 3.32 0.00 0.11 -0.04 -1.26 -4.32 135.00 128.86 1xwn n PRO 67 Ca -0.17 -2.06 -0.00 0.00 -0.04 0.00 0.00 63.50 61.22 1xwn n PRO 67 Cb 0.61 -2.55 -0.00 0.00 -0.04 0.00 0.00 33.50 31.52 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 2.95 0.26 0.00 0.52 -2.24 -1.26 -4.68 114.28 109.83 1xwn n THR 68 Ca 0.66 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.62 1xwn n THR 68 Cb 0.42 -1.26 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 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 2.97 1.49 0.05 3.38 0.00 -1.26 -5.02 105.19 106.80 1xwn n GLY 69 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.95 1xwn n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xwn n THR 70 N -1.18 0.56 -2.30 2.61 -2.24 -1.26 -5.03 114.28 105.45 1xwn n THR 70 Ca 0.00 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 1xwn n THR 70 Cb 0.00 -0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 67.38 1xwn n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xwn n GLY 71 N 2.91 -0.25 1.85 3.38 0.00 -1.26 -4.75 105.19 107.07 1xwn n GLY 71 Ca -0.17 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.46 0.00 -3.57 1.61 0.63 -1.26 -5.02 116.66 106.60 1xwn n ARG 72 Ca -0.18 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.37 1xwn n ARG 72 Cb 0.64 -0.02 -0.05 0.00 0.45 0.00 0.00 32.46 33.48 1xwn n ARG 72 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1xwn s GLY 73 N -3.16 3.13 -0.12 5.14 0.00 -1.26 -5.03 107.32 106.02 1xwn s GLY 73 Ca 0.00 -3.85 0.02 0.00 0.00 0.00 0.00 44.72 40.89 1xwn s GLY 73 CO 0.00 1.23 -0.18 -0.32 0.00 0.00 0.00 173.10 173.83 1xwn s GLY 74 N 0.18 1.15 0.22 0.20 0.00 -1.26 -4.94 107.32 102.88 1xwn s GLY 74 Ca 0.28 -0.86 -0.17 0.00 0.00 0.00 0.00 44.72 43.98 1xwn s GLY 74 CO -0.12 0.13 0.54 0.00 0.00 0.00 0.00 173.10 173.65 1xwn s ALA 75 N 0.92 -0.77 0.61 3.20 0.00 -1.26 -4.99 121.76 119.47 1xwn s ALA 75 Ca -0.07 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.42 1xwn s ALA 75 Cb -0.15 0.91 0.04 0.00 0.00 0.00 0.00 23.12 23.91 1xwn s ALA 75 CO -0.02 -0.85 0.89 -1.54 0.00 0.00 0.00 175.76 174.24 1xwn s SER 76 N -2.92 5.21 0.46 0.00 1.04 0.66 -4.97 113.70 113.18 1xwn s SER 76 Ca 0.13 0.36 0.12 0.00 0.48 0.00 0.00 55.95 57.05 1xwn s SER 76 Cb -0.02 -1.21 1.06 0.00 0.10 0.00 0.00 66.02 65.96 1xwn s SER 76 CO 0.02 -1.27 2.08 0.16 0.98 0.00 0.00 173.24 175.21 1xwn h ILE 77 N -0.22 1.07 -0.01 -1.02 3.07 -1.97 -2.35 117.51 116.08 1xwn h ILE 77 Ca -0.44 -0.22 -0.24 0.00 1.55 0.00 0.00 64.86 65.51 1xwn h ILE 77 Cb 1.29 0.92 0.01 0.00 -0.27 0.00 0.00 36.82 38.77 1xwn h ILE 77 CO 0.58 0.08 -0.96 1.88 -1.05 0.00 0.00 178.15 178.67 1xwn h TYR 78 N 0.19 0.75 0.00 0.16 0.05 -1.96 -3.50 116.97 112.66 1xwn h TYR 78 Ca 0.05 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.42 1xwn h TYR 78 Cb 0.06 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.72 1xwn h TYR 78 CO 0.00 1.23 0.00 0.41 -1.05 0.00 0.00 178.16 178.75 1xwn n GLY 79 N 0.97 -0.63 0.21 3.88 0.00 -0.88 -4.99 105.19 103.76 1xwn n GLY 79 Ca -0.08 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.31 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 0.64 -2.42 1.61 3.64 -1.94 0.19 116.57 118.28 1xwn h LYS 80 Ca 0.00 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1xwn h LYS 80 Cb 0.00 -0.14 -0.16 0.00 -0.41 0.00 0.00 32.23 31.52 1xwn h LYS 80 CO 0.00 0.42 0.26 1.14 -2.27 0.00 0.00 179.45 179.00 1xwn s GLN 81 N -6.14 1.09 0.41 1.90 -2.07 -1.26 -4.01 119.66 109.57 1xwn s GLN 81 Ca -0.13 -0.12 0.07 0.00 -1.82 0.00 0.00 55.36 53.36 1xwn s GLN 81 Cb 0.13 0.51 -0.08 0.00 -1.09 0.00 0.00 33.01 32.48 1xwn s GLN 81 CO 0.74 -0.42 0.03 -0.59 -1.32 0.00 0.00 175.29 173.74 1xwn s PHE 82 N -2.49 2.52 1.13 9.60 -0.71 -1.26 -4.92 117.98 121.86 1xwn s PHE 82 Ca -0.03 -0.66 -0.18 0.00 -1.04 0.00 0.00 56.93 55.01 1xwn s PHE 82 Cb -0.01 -1.80 0.26 0.00 -1.21 0.00 0.00 43.02 40.26 1xwn s PHE 82 CO -0.03 0.41 1.19 -1.21 -1.34 0.00 0.00 175.22 174.24 1xwn s GLU 83 N -3.74 -0.65 0.30 1.99 2.02 -1.26 -4.01 118.70 113.34 1xwn s GLU 83 Ca 0.35 -0.21 0.02 0.00 0.02 0.00 0.00 54.97 55.16 1xwn s GLU 83 Cb 0.09 -1.68 -0.05 0.00 0.10 0.00 0.00 34.13 32.59 1xwn s GLU 83 CO 0.18 -3.31 0.10 0.16 0.02 0.00 0.00 175.26 172.42 1xwn s ASP 84 N -4.26 1.72 -0.19 -0.19 -4.77 -1.26 -4.92 116.67 102.81 1xwn s ASP 84 Ca 0.72 -1.44 -0.03 0.00 -3.30 0.00 0.00 52.55 48.51 1xwn s ASP 84 Cb -0.07 0.17 0.06 0.00 -1.09 0.00 0.00 42.92 41.98 1xwn s ASP 84 CO 0.55 -0.74 0.03 -1.61 0.70 0.00 0.00 175.17 174.10 1xwn s GLU 85 N -3.93 0.69 -0.39 2.11 2.02 -1.26 -5.10 118.70 112.84 1xwn s GLU 85 Ca 0.36 -0.42 -0.14 0.00 0.02 0.00 0.00 54.97 54.79 1xwn s GLU 85 Cb 0.07 -2.08 0.01 0.00 0.10 0.00 0.00 34.13 32.23 1xwn s GLU 85 CO 0.15 -0.62 0.27 -1.17 0.02 0.00 0.00 175.26 173.91 1xwn s LEU 86 N 1.84 4.93 -0.29 1.80 2.96 -1.26 -4.73 118.68 123.93 1xwn s LEU 86 Ca -0.01 -0.83 -0.00 0.00 -0.22 0.00 0.00 54.13 53.07 1xwn s LEU 86 Cb -0.17 -2.13 0.09 0.00 0.50 0.00 0.00 46.19 44.48 1xwn s LEU 86 CO -0.08 -0.40 0.07 -1.38 -1.32 0.00 0.00 176.35 173.24 1xwn s HIS 87 N 1.67 1.87 -0.22 5.38 -3.43 -1.26 -4.99 115.29 114.31 1xwn s HIS 87 Ca 0.05 -1.73 0.22 0.00 -0.80 0.00 0.00 55.06 52.80 1xwn s HIS 87 Cb -0.19 -1.71 1.17 0.00 -1.43 0.00 0.00 32.58 30.42 1xwn s HIS 87 CO 0.09 -0.84 1.68 -2.30 -2.00 0.00 0.00 174.74 171.38 1xwn n PRO 88 N 4.80 0.15 -0.27 -0.38 -0.02 -1.26 -3.12 135.00 134.90 1xwn n PRO 88 Ca -0.04 0.62 0.08 0.00 -2.02 0.00 0.00 63.50 62.15 1xwn n PRO 88 Cb 0.43 -1.96 0.21 0.00 -0.02 0.00 0.00 33.50 32.16 1xwn n PRO 88 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1xwn h ASP 89 N 0.00 -0.13 -3.68 2.55 3.58 -2.04 -3.39 116.42 113.32 1xwn h ASP 89 Ca 0.00 0.18 -0.50 0.00 0.42 0.00 0.00 57.03 57.13 1xwn h ASP 89 Cb 0.04 0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 1xwn h ASP 89 CO 0.00 -0.13 0.35 -0.76 -2.88 0.00 0.00 179.24 175.81 1xwn s LEU 90 N -10.69 4.59 0.81 2.28 1.43 -1.18 -5.06 118.68 110.85 1xwn s LEU 90 Ca -0.13 1.88 -0.06 0.00 -1.03 0.00 0.00 54.13 54.79 1xwn s LEU 90 Cb 0.23 -3.59 0.15 0.00 0.03 0.00 0.00 46.19 43.02 1xwn s LEU 90 CO 0.76 0.08 1.11 -1.59 0.23 0.00 0.00 176.35 176.94 1xwn s LYS 91 N -0.76 1.30 -0.31 1.70 0.00 -1.26 -5.04 119.74 115.37 1xwn s LYS 91 Ca 0.43 -0.90 -0.02 0.00 0.00 0.00 0.00 55.97 55.47 1xwn s LYS 91 Cb -0.25 -2.17 0.11 0.00 0.00 0.00 0.00 37.83 35.52 1xwn s LYS 91 CO 0.31 -1.79 0.14 -0.06 0.00 0.00 0.00 175.35 173.95 1xwn s PHE 92 N -3.40 0.77 -1.62 1.78 0.40 -1.26 -4.98 117.98 109.67 1xwn s PHE 92 Ca 0.69 -1.28 0.30 0.00 -0.60 0.00 0.00 56.93 56.04 1xwn s PHE 92 Cb -0.05 -1.13 1.47 0.00 0.51 0.00 0.00 43.02 43.83 1xwn s PHE 92 CO 0.47 -0.84 2.01 0.25 0.70 0.00 0.00 175.22 177.81 1xwn n THR 93 N 4.86 0.00 0.00 0.64 -2.24 -1.26 -4.22 114.28 112.05 1xwn n THR 93 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1xwn n THR 93 Cb 0.41 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 1xwn n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xwn n GLY 94 N 1.23 1.99 3.52 3.38 0.00 -1.26 -4.17 105.19 109.89 1xwn n GLY 94 Ca 0.16 0.06 -0.45 0.00 0.00 0.00 0.00 46.02 45.79 1xwn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwn n ALA 95 N 0.07 1.22 -2.39 4.61 0.00 -1.23 -2.64 120.51 120.15 1xwn n ALA 95 Ca 0.00 -0.29 -0.07 0.00 0.00 0.00 0.00 53.44 53.08 1xwn n ALA 95 Cb 0.00 -2.77 0.03 0.00 0.00 0.00 0.00 19.45 16.71 1xwn n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwn n GLY 96 N 6.20 -0.23 2.85 0.00 0.00 0.18 -4.93 105.19 109.26 1xwn n GLY 96 Ca 0.38 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.40 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 -3.18 0.22 -0.25 -0.61 -1.09 -1.08 -2.19 121.20 113.02 1xwn s ILE 97 Ca 0.21 0.02 -0.10 0.00 -2.23 0.00 0.00 60.65 58.56 1xwn s ILE 97 Cb -0.03 -0.29 -0.04 0.00 -1.58 0.00 0.00 42.46 40.52 1xwn s ILE 97 CO 0.38 0.14 0.15 -0.76 -1.23 0.00 0.00 174.94 173.62 1xwn s LEU 98 N 0.80 3.90 -0.04 2.97 1.43 -0.91 -1.19 118.68 125.64 1xwn s LEU 98 Ca -0.08 -0.01 0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1xwn s LEU 98 Cb -0.12 -2.06 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 1xwn s LEU 98 CO -0.01 0.00 -0.17 0.00 0.23 0.00 0.00 176.35 176.40 1xwn s ALA 99 N 1.43 1.50 -0.55 4.21 0.00 -1.13 -1.75 121.76 125.47 1xwn s ALA 99 Ca 0.07 -0.67 -0.28 0.00 0.00 0.00 0.00 51.96 51.07 1xwn s ALA 99 Cb -0.15 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.49 1xwn s ALA 99 CO 0.07 0.26 1.18 -1.64 0.00 0.00 0.00 175.76 175.63 1xwn s MET 100 N 0.08 3.58 0.54 0.00 -1.94 0.30 -2.98 119.30 118.88 1xwn s MET 100 Ca -0.05 0.36 -0.06 0.00 -1.71 0.00 0.00 55.69 54.23 1xwn s MET 100 Cb -0.12 -3.98 -0.02 0.00 2.01 0.00 0.00 34.83 32.72 1xwn s MET 100 CO 0.02 -1.59 0.86 0.00 -0.01 0.00 0.00 175.02 174.31 1xwn s ALA 101 N 4.81 3.32 -0.13 3.03 0.00 -1.14 -2.69 121.76 128.96 1xwn s ALA 101 Ca 0.45 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.74 1xwn s ALA 101 Cb -0.07 -2.65 0.04 0.00 0.00 0.00 0.00 23.12 20.43 1xwn s ALA 101 CO 0.28 -0.58 0.37 0.54 0.00 0.00 0.00 175.76 176.36 1xwn s ASN 102 N -4.20 -0.37 0.15 0.00 2.20 -1.26 -4.59 114.94 106.87 1xwn s ASN 102 Ca 0.51 0.69 0.01 0.00 -0.94 0.00 0.00 52.86 53.13 1xwn s ASN 102 Cb -0.10 0.72 -0.05 0.00 -2.00 0.00 0.00 41.25 39.82 1xwn s ASN 102 CO 0.46 -0.15 1.34 0.00 -2.94 0.00 0.00 177.10 175.81 1xwn h ALA 103 N 5.42 0.45 -2.98 3.54 0.00 -1.95 -3.48 119.26 120.27 1xwn h ALA 103 Ca -0.27 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 53.88 1xwn h ALA 103 Cb 1.18 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1xwn h ALA 103 CO 0.28 0.91 0.18 0.20 0.00 0.00 0.00 179.25 180.82 1xwn s GLY 104 N -4.50 0.36 -0.09 0.00 0.00 -1.25 -5.05 107.32 96.79 1xwn s GLY 104 Ca -0.03 -0.71 -0.35 0.00 0.00 0.00 0.00 44.72 43.63 1xwn s GLY 104 CO 0.84 -0.34 1.83 -1.05 0.00 0.00 0.00 173.10 174.37 1xwn n PRO 105 N -0.50 2.03 -2.49 2.90 -0.02 -1.26 -0.85 135.00 134.82 1xwn n PRO 105 Ca -0.05 0.74 -0.20 0.00 -2.02 0.00 0.00 63.50 61.97 1xwn n PRO 105 Cb 0.60 -2.56 -0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 6.12 -5.62 -3.91 2.55 8.00 -1.26 -4.94 116.55 117.49 1xwn n ASP 106 Ca 0.22 -0.02 -0.29 0.00 0.71 0.00 0.00 54.79 55.41 1xwn n ASP 106 Cb 0.27 -4.68 -0.13 0.00 -0.02 0.00 0.00 41.12 36.57 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 -2.99 2.64 -0.18 -3.53 2.01 -0.03 -3.99 115.64 109.57 1xwn s THR 107 Ca 0.04 -3.72 0.00 0.00 0.31 0.00 0.00 61.69 58.32 1xwn s THR 107 Cb -0.02 -2.79 0.01 0.00 0.01 0.00 0.00 72.50 69.72 1xwn s THR 107 CO 0.05 -0.91 -0.18 0.20 -0.69 0.00 0.00 174.62 173.10 1xwn s ASN 108 N -0.80 3.32 -0.53 3.53 0.01 -1.26 -2.97 114.94 116.26 1xwn s ASN 108 Ca 0.21 -0.60 0.04 0.00 -0.71 0.00 0.00 52.86 51.80 1xwn s ASN 108 Cb -0.16 -1.52 0.40 0.00 0.41 0.00 0.00 41.25 40.39 1xwn s ASN 108 CO -0.08 0.01 1.24 0.61 -1.51 0.00 0.00 177.10 177.38 1xwn n GLY 109 N 4.54 5.90 3.14 0.66 0.00 -1.26 -4.12 105.19 114.05 1xwn n GLY 109 Ca -0.20 -2.73 -0.23 0.00 0.00 0.00 0.00 46.02 42.86 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 -0.45 -5.96 -4.86 1.61 7.64 -1.26 -3.52 113.62 106.81 1xwn n SER 110 Ca 0.40 -0.34 -0.37 0.00 1.01 0.00 0.00 58.87 59.57 1xwn n SER 110 Cb 0.56 -4.80 -0.06 0.00 -1.01 0.00 0.00 64.21 58.89 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 -5.83 3.62 0.34 1.43 0.74 -1.26 -4.02 119.66 114.67 1xwn s GLN 111 Ca 0.36 0.05 -0.18 0.00 0.05 0.00 0.00 55.36 55.64 1xwn s GLN 111 Cb -0.16 -3.21 0.04 0.00 1.10 0.00 0.00 33.01 30.78 1xwn s GLN 111 CO 0.44 0.74 0.75 -0.59 -0.55 0.00 0.00 175.29 176.08 1xwn s PHE 112 N -1.00 0.01 -0.26 1.67 -0.12 -1.15 -2.88 117.98 114.25 1xwn s PHE 112 Ca 0.18 -0.59 -0.25 0.00 -0.05 0.00 0.00 56.93 56.23 1xwn s PHE 112 Cb -0.14 0.76 0.07 0.00 -0.63 0.00 0.00 43.02 43.08 1xwn s PHE 112 CO 0.07 -1.42 0.70 -0.59 -0.05 0.00 0.00 175.22 173.94 1xwn s PHE 113 N -3.02 -0.77 -0.36 3.49 -0.71 -1.16 0.61 117.98 116.05 1xwn s PHE 113 Ca 0.14 1.87 -0.15 0.00 -1.04 0.00 0.00 56.93 57.75 1xwn s PHE 113 Cb -0.05 0.27 -0.00 0.00 -1.21 0.00 0.00 43.02 42.02 1xwn s PHE 113 CO 0.10 -0.38 0.33 0.08 -1.34 0.00 0.00 175.22 174.01 1xwn s VAL 114 N 0.34 5.20 0.28 -2.49 1.01 0.10 -2.86 120.40 121.99 1xwn s VAL 114 Ca -0.00 -0.18 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 1xwn s VAL 114 Cb -0.05 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1xwn s VAL 114 CO 0.01 -0.15 0.96 0.42 0.00 0.00 0.00 175.10 176.34 1xwn s THR 115 N 1.91 4.07 -0.05 3.92 -4.23 -0.34 -1.62 115.64 119.30 1xwn s THR 115 Ca 0.09 1.92 0.06 0.00 -1.18 0.00 0.00 61.69 62.58 1xwn s THR 115 Cb -0.17 -4.16 -0.08 0.00 1.34 0.00 0.00 72.50 69.43 1xwn s THR 115 CO 0.11 0.33 0.04 0.18 -0.54 0.00 0.00 174.62 174.74 1xwn n LEU 116 N 1.05 0.00 -4.69 4.79 4.77 -1.14 0.49 117.00 122.26 1xwn n LEU 116 Ca -0.00 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.71 1xwn n LEU 116 Cb 0.48 0.13 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 1xwn n LEU 116 CO 0.48 0.13 -0.31 0.00 -1.33 0.00 0.00 177.39 176.37 1xwn s ALA 117 N -2.19 3.29 -0.24 -1.18 0.00 -1.22 -3.59 121.76 116.63 1xwn s ALA 117 Ca -0.03 -1.33 -0.35 0.00 0.00 0.00 0.00 51.96 50.25 1xwn s ALA 117 Cb 0.02 -1.08 -0.11 0.00 0.00 0.00 0.00 23.12 21.95 1xwn s ALA 117 CO 0.26 0.49 2.04 -2.30 0.00 0.00 0.00 175.76 176.24 1xwn n PRO 118 N -0.18 1.56 -3.27 0.00 -0.02 -1.26 -3.56 135.00 128.27 1xwn n PRO 118 Ca -0.09 0.51 -0.25 0.00 -2.02 0.00 0.00 63.50 61.64 1xwn n PRO 118 Cb 0.55 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 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 6.28 1.04 0.13 3.45 -2.24 -1.26 -4.89 114.28 116.78 1xwn n THR 119 Ca 0.32 -4.73 -0.24 0.00 -2.27 0.00 0.00 64.05 57.13 1xwn n THR 119 Cb 0.27 -1.84 -0.16 0.00 -2.10 0.00 0.00 70.33 66.50 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 3.91 0.49 -0.17 -0.78 4.20 -1.91 -3.30 115.11 117.54 1xwn h GLN 120 Ca 0.14 -0.84 -0.06 0.00 0.06 0.00 0.00 58.65 57.94 1xwn h GLN 120 Cb 0.76 0.31 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 1xwn h GLN 120 CO 0.66 1.40 -0.17 0.11 -0.67 0.00 0.00 178.83 180.17 1xwn h TRP 121 N 0.13 0.31 0.00 2.96 0.09 -1.93 -1.90 115.95 115.61 1xwn h TRP 121 Ca -0.27 -0.04 0.00 0.00 0.09 0.00 0.00 58.89 58.67 1xwn h TRP 121 Cb 2.14 -0.08 0.00 0.00 0.08 0.00 0.00 29.16 31.30 1xwn h TRP 121 CO 0.12 0.45 0.00 1.28 0.09 0.00 0.00 178.44 180.38 1xwn n LEU 122 N -4.22 0.00 -4.57 0.11 4.77 -1.25 -4.59 117.00 107.25 1xwn n LEU 122 Ca -0.01 0.47 -0.22 0.00 -0.03 0.00 0.00 56.01 56.22 1xwn n LEU 122 Cb 0.31 -0.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.86 1xwn n LEU 122 CO 0.39 -0.15 1.32 -0.62 -1.33 0.00 0.00 177.39 177.00 1xwn s ASP 123 N -2.93 4.51 0.00 -1.43 -1.08 -0.72 -3.15 116.67 111.88 1xwn s ASP 123 Ca 0.11 -0.97 0.00 0.00 -0.52 0.00 0.00 52.55 51.17 1xwn s ASP 123 Cb 0.13 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.01 1xwn s ASP 123 CO 0.35 -3.51 0.00 0.61 0.52 0.00 0.00 175.17 173.14 1xwn n GLY 124 N 6.33 -0.09 0.14 2.66 0.00 -1.26 -4.97 105.19 108.00 1xwn n GLY 124 Ca 0.43 0.03 -0.05 0.00 0.00 0.00 0.00 46.02 46.43 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 0.13 -5.15 1.61 1.57 -1.91 -3.43 116.57 109.40 1xwn h LYS 125 Ca 0.00 -0.11 -0.67 0.00 -1.87 0.00 0.00 60.65 58.00 1xwn h LYS 125 Cb 0.00 0.02 -0.34 0.00 0.08 0.00 0.00 32.23 31.99 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 -3.47 2.72 0.68 -1.35 3.76 -1.26 -4.66 115.29 111.71 1xwn s HIS 126 Ca -0.02 -1.42 -0.11 0.00 -0.15 0.00 0.00 55.06 53.35 1xwn s HIS 126 Cb 0.12 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.94 1xwn s HIS 126 CO 0.80 -0.67 1.08 -0.08 -0.85 0.00 0.00 174.74 175.02 1xwn s THR 127 N 0.99 3.81 0.93 1.30 -1.32 -1.10 -4.84 115.64 115.41 1xwn s THR 127 Ca -0.02 0.59 -0.15 0.00 -1.21 0.00 0.00 61.69 60.89 1xwn s THR 127 Cb -0.15 -3.57 0.21 0.00 -1.51 0.00 0.00 72.50 67.48 1xwn s THR 127 CO -0.06 -0.77 1.26 0.00 -2.21 0.00 0.00 174.62 172.85 1xwn n ILE 128 N -2.95 0.00 0.00 5.08 3.06 -1.26 0.11 119.36 123.40 1xwn n ILE 128 Ca 0.07 -0.98 0.00 0.00 -2.50 0.00 0.00 62.75 59.34 1xwn n ILE 128 Cb 0.56 -1.49 0.00 0.00 0.54 0.00 0.00 39.64 39.25 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 -3.72 0.00 -4.17 9.51 1.16 -1.06 -3.53 117.46 115.66 1xwn n PHE 129 Ca 0.16 0.00 -0.17 0.00 -1.87 0.00 0.00 57.45 55.57 1xwn n PHE 129 Cb 0.56 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.37 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 -0.96 1.88 0.09 4.97 0.00 -0.72 -3.44 107.32 109.14 1xwn s GLY 130 Ca 0.00 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.96 1xwn s GLY 130 CO 0.00 -1.19 -0.03 0.50 0.00 0.00 0.00 173.10 172.38 1xwn s ARG 131 N -3.12 0.77 -0.49 2.90 0.52 -0.82 -2.13 118.95 116.58 1xwn s ARG 131 Ca 0.35 -1.31 -0.04 0.00 -0.52 0.00 0.00 55.73 54.21 1xwn s ARG 131 Cb 0.00 0.02 0.13 0.00 0.52 0.00 0.00 34.95 35.63 1xwn s ARG 131 CO 0.24 -0.09 0.30 0.08 0.02 0.00 0.00 175.30 175.84 1xwn s VAL 132 N -3.80 3.53 -0.12 3.52 1.01 -0.93 -1.88 120.40 121.72 1xwn s VAL 132 Ca 0.12 -2.32 -0.10 0.00 0.00 0.00 0.00 61.98 59.68 1xwn s VAL 132 Cb 0.07 -3.37 -0.26 0.00 0.00 0.00 0.00 36.38 32.82 1xwn s VAL 132 CO -0.06 -0.76 0.40 0.00 0.00 0.00 0.00 175.10 174.68 1xwn s GLN 134 N -2.53 0.19 0.00 0.00 0.74 -1.23 -4.89 119.66 111.94 1xwn s GLN 134 Ca -0.22 0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.29 1xwn s GLN 134 Cb 0.06 -1.23 0.00 0.00 1.10 0.00 0.00 33.01 32.94 1xwn s GLN 134 CO 0.76 -0.71 0.00 0.41 -0.55 0.00 0.00 175.29 175.20 1xwn n GLY 135 N 5.31 0.52 0.48 2.59 0.00 -1.26 0.91 105.19 113.73 1xwn n GLY 135 Ca -0.05 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.26 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 0.47 -0.47 -0.61 2.10 -1.90 0.85 117.51 117.94 1xwn h ILE 136 Ca 0.00 0.00 -0.12 0.00 1.08 0.00 0.00 64.86 65.82 1xwn h ILE 136 Cb 0.00 0.50 -0.01 0.00 -1.09 0.00 0.00 36.82 36.22 1xwn h ILE 136 CO 0.00 0.00 -0.18 1.23 -1.08 0.00 0.00 178.15 178.12 1xwn h GLY 137 N 0.00 1.02 0.53 8.18 0.00 -1.99 -2.09 103.07 108.72 1xwn h GLY 137 Ca 0.44 -0.87 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1xwn h GLY 137 CO -0.00 0.79 -0.01 1.98 0.00 0.00 0.00 176.54 179.29 1xwn h MET 138 N 0.82 -0.04 0.00 4.80 1.85 -1.21 -2.61 114.93 118.54 1xwn h MET 138 Ca 0.12 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1xwn h MET 138 Cb 0.74 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.78 1xwn h MET 138 CO 0.06 0.42 -0.01 -0.39 -0.40 0.00 0.00 176.91 176.59 1xwn h VAL 139 N -0.50 0.06 0.04 -5.77 -1.51 -1.50 -1.40 116.25 105.68 1xwn h VAL 139 Ca -0.00 -0.11 -0.24 0.00 -1.23 0.00 0.00 66.70 65.12 1xwn h VAL 139 Cb 0.47 1.10 -0.02 0.00 -2.13 0.00 0.00 31.29 30.71 1xwn h VAL 139 CO 0.01 0.01 -1.14 0.78 -1.23 0.00 0.00 177.57 175.99 1xwn h ASN 140 N 0.00 0.14 -0.85 4.19 2.35 -1.23 -3.33 115.58 116.86 1xwn h ASN 140 Ca -0.00 -0.16 0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1xwn h ASN 140 Cb 0.10 -0.05 -0.07 0.00 0.05 0.00 0.00 38.32 38.36 1xwn h ASN 140 CO 0.00 1.13 0.51 -0.09 -1.65 0.00 0.00 177.43 177.33 1xwn h ARG 141 N 0.02 0.87 -0.37 0.81 2.43 -0.86 -0.85 114.38 116.43 1xwn h ARG 141 Ca -0.07 -0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.14 1xwn h ARG 141 Cb 1.86 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 31.19 1xwn h ARG 141 CO 0.15 0.58 0.26 -0.24 -1.51 0.00 0.00 179.97 179.21 1xwn h VAL 142 N 0.90 0.85 0.10 0.20 3.04 -1.66 -1.40 116.25 118.28 1xwn h VAL 142 Ca 0.39 -0.03 -0.30 0.00 -1.01 0.00 0.00 66.70 65.75 1xwn h VAL 142 Cb 0.25 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.29 1xwn h VAL 142 CO -0.20 0.01 -1.50 1.23 -1.01 0.00 0.00 177.57 176.10 1xwn h GLY 143 N 0.08 0.24 2.00 3.17 0.00 -1.38 -3.32 103.07 103.86 1xwn h GLY 143 Ca 0.18 -0.62 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1xwn h GLY 143 CO -0.01 0.54 -0.09 -0.33 0.00 0.00 0.00 176.54 176.65 1xwn h MET 144 N 0.06 0.00 -7.42 4.80 2.07 -0.19 -3.41 114.93 110.83 1xwn h MET 144 Ca -0.23 0.00 -0.49 0.00 -2.07 0.00 0.00 59.70 56.91 1xwn h MET 144 Cb 1.99 0.00 0.09 0.00 -1.87 0.00 0.00 31.60 31.82 1xwn h MET 144 CO 0.15 0.09 0.38 0.14 1.07 0.00 0.00 176.91 178.74 1xwn s VAL 145 N -4.71 3.46 0.06 -2.22 -7.23 -0.88 -4.97 120.40 103.92 1xwn s VAL 145 Ca -0.04 0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 60.30 1xwn s VAL 145 Cb 0.16 -3.33 -0.09 0.00 0.56 0.00 0.00 36.38 33.68 1xwn s VAL 145 CO 0.65 -0.62 1.80 -0.70 -0.31 0.00 0.00 175.10 175.92 1xwn s GLU 146 N -5.23 4.16 0.55 4.82 2.12 -1.26 -4.95 118.70 118.92 1xwn s GLU 146 Ca 0.59 2.48 0.06 0.00 0.36 0.00 0.00 54.97 58.46 1xwn s GLU 146 Cb -0.13 -3.80 0.05 0.00 0.26 0.00 0.00 34.13 30.51 1xwn s GLU 146 CO 0.53 -0.85 0.50 0.95 -0.54 0.00 0.00 175.26 175.86 1xwn s THR 147 N 3.35 1.76 0.91 -1.70 -4.23 -1.26 -3.09 115.64 111.38 1xwn s THR 147 Ca 0.80 -1.37 -0.15 0.00 -1.18 0.00 0.00 61.69 59.79 1xwn s THR 147 Cb -0.42 -2.13 0.21 0.00 1.34 0.00 0.00 72.50 71.50 1xwn s THR 147 CO 0.36 0.00 1.22 -3.20 -0.54 0.00 0.00 174.62 172.46 1xwn n ASN 148 N -1.89 0.05 -1.17 3.99 2.85 -0.49 -4.90 115.26 113.70 1xwn n ASN 148 Ca 0.03 -1.44 0.04 0.00 -0.11 0.00 0.00 54.58 53.10 1xwn n ASN 148 Cb 0.64 -0.94 0.20 0.00 1.24 0.00 0.00 39.78 40.92 1xwn n ASN 148 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1xwn n SER 149 N -3.81 3.31 0.03 1.20 7.64 -1.26 -4.55 113.62 116.18 1xwn n SER 149 Ca 0.15 -2.44 0.00 0.00 1.01 0.00 0.00 58.87 57.60 1xwn n SER 149 Cb 0.53 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 1xwn n SER 149 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwn n GLN 150 N 0.34 0.00 -2.68 1.43 1.13 -1.26 -5.09 117.38 111.26 1xwn n GLN 150 Ca 0.14 0.00 -0.04 0.00 -1.94 0.00 0.00 57.00 55.16 1xwn n GLN 150 Cb 0.70 0.00 0.06 0.00 0.11 0.00 0.00 30.24 31.11 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1xwn n ASP 151 N -2.66 -1.64 -3.23 1.08 5.75 -1.26 -4.99 116.55 109.60 1xwn n ASP 151 Ca 0.00 -1.73 -0.03 0.00 -0.01 0.00 0.00 54.79 53.02 1xwn n ASP 151 Cb 0.00 0.89 -0.03 0.00 -1.03 0.00 0.00 41.12 40.95 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1xwn s ARG 152 N 0.50 0.58 0.13 0.11 0.52 -1.26 -4.64 118.95 114.89 1xwn s ARG 152 Ca 0.26 0.11 -0.31 0.00 -0.52 0.00 0.00 55.73 55.27 1xwn s ARG 152 Cb 0.17 -0.05 -0.08 0.00 0.52 0.00 0.00 34.95 35.51 1xwn s ARG 152 CO -0.11 -1.09 1.36 -1.25 0.02 0.00 0.00 175.30 174.23 1xwn s PRO 153 N 2.40 4.34 0.19 3.54 0.04 -1.26 -1.40 135.00 142.85 1xwn s PRO 153 Ca 0.12 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.10 1xwn s PRO 153 Cb -0.10 -3.24 0.15 0.00 0.04 0.00 0.00 34.50 31.35 1xwn s PRO 153 CO -0.21 -0.38 1.83 0.28 0.04 0.00 0.00 177.00 178.56 1xwn h VAL 154 N 4.13 1.07 -2.40 -0.36 2.07 -1.89 -2.99 116.25 115.89 1xwn h VAL 154 Ca -0.43 -0.25 -0.72 0.00 0.82 0.00 0.00 66.70 66.12 1xwn h VAL 154 Cb 1.21 0.27 -0.34 0.00 -1.52 0.00 0.00 31.29 30.92 1xwn h VAL 154 CO 0.84 0.13 0.27 0.47 0.02 0.00 0.00 177.57 179.30 1xwn n ASP 155 N -4.73 5.81 -4.54 0.57 8.00 -1.26 -5.06 116.55 115.34 1xwn n ASP 155 Ca 0.06 -3.59 -0.38 0.00 0.71 0.00 0.00 54.79 51.59 1xwn n ASP 155 Cb 0.08 -0.95 0.05 0.00 -0.02 0.00 0.00 41.12 40.28 1xwn n ASP 155 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1xwn n ASP 156 N 0.34 -0.25 -4.56 -2.24 5.75 -1.13 -4.87 116.55 109.59 1xwn n ASP 156 Ca 0.35 0.74 -0.41 0.00 -0.01 0.00 0.00 54.79 55.46 1xwn n ASP 156 Cb 0.33 -1.28 -0.03 0.00 -1.03 0.00 0.00 41.12 39.12 1xwn n ASP 156 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1xwn s VAL 157 N -1.66 3.80 0.35 2.12 1.01 -1.26 -4.79 120.40 119.98 1xwn s VAL 157 Ca 0.72 0.56 -0.16 0.00 0.00 0.00 0.00 61.98 63.10 1xwn s VAL 157 Cb -0.42 -4.84 -0.09 0.00 0.00 0.00 0.00 36.38 31.03 1xwn s VAL 157 CO 0.51 -1.68 0.78 -0.75 0.00 0.00 0.00 175.10 173.96 1xwn s LYS 158 N 5.53 4.02 -0.12 2.72 2.20 -1.26 -3.74 119.74 129.08 1xwn s LYS 158 Ca 0.38 0.74 0.01 0.00 -0.36 0.00 0.00 55.97 56.74 1xwn s LYS 158 Cb -0.08 -2.38 -0.01 0.00 -1.51 0.00 0.00 37.83 33.86 1xwn s LYS 158 CO 0.18 0.10 -0.18 0.42 -0.36 0.00 0.00 175.35 175.51 1xwn s ILE 159 N -2.07 2.60 -0.12 5.43 1.01 0.14 0.68 121.20 128.88 1xwn s ILE 159 Ca 0.55 -0.82 0.07 0.00 0.00 0.00 0.00 60.65 60.45 1xwn s ILE 159 Cb -0.10 -2.06 -0.12 0.00 0.01 0.00 0.00 42.46 40.19 1xwn s ILE 159 CO 0.18 0.54 -0.02 2.30 0.00 0.00 0.00 174.94 177.94 1xwn n ILE 160 N 3.64 0.76 -3.74 2.92 -5.35 -1.11 -0.12 119.36 116.35 1xwn n ILE 160 Ca -0.19 -0.40 -0.06 0.00 -0.27 0.00 0.00 62.75 61.83 1xwn n ILE 160 Cb 0.53 -0.81 -0.02 0.00 -1.74 0.00 0.00 39.64 37.60 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 -2.27 1.42 -0.27 6.28 0.00 -0.70 -4.66 119.74 119.54 1xwn s LYS 161 Ca -0.10 -0.75 -0.01 0.00 0.00 0.00 0.00 55.97 55.11 1xwn s LYS 161 Cb 0.04 0.51 0.16 0.00 0.00 0.00 0.00 37.83 38.54 1xwn s LYS 161 CO 0.40 -0.65 0.47 0.00 0.00 0.00 0.00 175.35 175.58 1xwn s ALA 162 N -3.59 -1.61 -0.01 0.59 0.00 -1.26 -1.32 121.76 114.55 1xwn s ALA 162 Ca 0.10 1.15 -0.06 0.00 0.00 0.00 0.00 51.96 53.15 1xwn s ALA 162 Cb -0.03 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 21.12 1xwn s ALA 162 CO 0.02 -1.40 0.13 1.52 0.00 0.00 0.00 175.76 176.03 1xwn s TYR 163 N 2.68 -0.00 0.89 0.00 -0.85 -0.63 -4.87 117.35 114.57 1xwn s TYR 163 Ca 0.15 -0.01 -0.14 0.00 -0.52 0.00 0.00 57.07 56.55 1xwn s TYR 163 Cb -0.14 -0.03 0.15 0.00 0.38 0.00 0.00 41.96 42.31 1xwn s TYR 163 CO -0.20 -0.22 1.26 -1.25 -1.52 0.00 0.00 175.55 173.61 1xwn s PRO 164 N -0.97 1.24 -0.17 -3.49 0.04 -1.26 -2.01 135.00 128.37 1xwn s PRO 164 Ca -0.11 -0.18 0.02 0.00 0.04 0.00 0.00 61.00 60.78 1xwn s PRO 164 Cb -0.06 -1.89 -0.22 0.00 0.04 0.00 0.00 34.50 32.36 1xwn s PRO 164 CO 0.01 -2.04 0.14 -1.13 0.04 0.00 0.00 177.00 174.02 1xwn n SER 165 N -3.56 1.63 0.00 6.66 3.41 -1.17 -4.78 113.62 115.80 1xwn n SER 165 Ca 0.12 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 1xwn n SER 165 Cb 0.60 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1xwn n SER 165 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49