#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 3.56 -0.05 3.17 0.00 -1.26 -5.03 121.76 122.15 1xwn s ALA 2 Ca 0.00 -2.16 -0.02 0.00 0.00 0.00 0.00 51.96 49.78 1xwn s ALA 2 Cb 0.00 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 20.01 1xwn s ALA 2 CO 0.00 -1.82 0.09 0.00 0.00 0.00 0.00 175.76 174.02 1xwn s ALA 3 N 1.75 0.00 -1.11 0.00 0.00 -1.26 -4.90 121.76 116.24 1xwn s ALA 3 Ca 0.05 0.40 -0.04 0.00 0.00 0.00 0.00 51.96 52.38 1xwn s ALA 3 Cb -0.25 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.34 1xwn s ALA 3 CO 0.06 -0.30 0.95 -0.89 0.00 0.00 0.00 175.76 175.58 1xwn n ILE 4 N 4.69 -7.96 -2.54 0.00 5.41 -1.26 -4.98 119.36 112.72 1xwn n ILE 4 Ca -0.17 -1.02 -0.37 0.00 1.00 0.00 0.00 62.75 62.19 1xwn n ILE 4 Cb 0.50 -5.94 -0.04 0.00 -0.71 0.00 0.00 39.64 33.45 1xwn n ILE 4 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1xwn s PRO 5 N -4.77 4.23 1.21 0.38 0.04 -1.26 -5.04 135.00 129.78 1xwn s PRO 5 Ca 0.28 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 62.71 1xwn s PRO 5 Cb -0.04 -2.62 0.27 0.00 0.04 0.00 0.00 34.50 32.15 1xwn s PRO 5 CO 0.74 -0.09 0.75 -2.30 0.04 0.00 0.00 177.00 176.13 1xwn n PRO 6 N 0.08 -2.62 -2.69 0.56 -0.02 -1.26 -4.52 135.00 124.53 1xwn n PRO 6 Ca 0.04 -0.75 -0.02 0.00 -2.02 0.00 0.00 63.50 60.76 1xwn n PRO 6 Cb 0.49 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1xwn n PRO 6 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xwn n ASP 7 N -4.28 -6.64 -4.56 2.55 8.00 -1.26 -5.06 116.55 105.30 1xwn n ASP 7 Ca 0.03 0.07 -0.26 0.00 0.71 0.00 0.00 54.79 55.33 1xwn n ASP 7 Cb 0.56 -4.44 -0.11 0.00 -0.02 0.00 0.00 41.12 37.11 1xwn n ASP 7 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1xwn s SER 8 N -2.66 3.70 1.23 -2.24 0.01 -1.26 -5.15 113.70 107.34 1xwn s SER 8 Ca 0.05 -1.26 -0.20 0.00 1.31 0.00 0.00 55.95 55.86 1xwn s SER 8 Cb -0.01 -0.35 0.30 0.00 0.21 0.00 0.00 66.02 66.16 1xwn s SER 8 CO 0.60 -0.30 1.09 0.26 0.41 0.00 0.00 173.24 175.30 1xwn s TRP 9 N -2.67 0.35 0.11 2.43 0.52 -1.26 -4.91 118.94 113.52 1xwn s TRP 9 Ca 0.33 0.51 0.00 0.00 0.02 0.00 0.00 56.10 56.96 1xwn s TRP 9 Cb 0.05 -3.38 0.00 0.00 -1.15 0.00 0.00 33.47 28.99 1xwn s TRP 9 CO 0.17 -4.02 0.00 0.94 0.02 0.00 0.00 176.95 174.05 1xwn n GLN 10 N -4.87 -1.47 -1.86 4.98 0.00 -1.26 -4.82 117.38 108.08 1xwn n GLN 10 Ca 0.13 1.06 -0.42 0.00 -0.00 0.00 0.00 57.00 57.77 1xwn n GLN 10 Cb 0.59 -1.17 -0.03 0.00 0.00 0.00 0.00 30.24 29.63 1xwn n GLN 10 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1xwn s PRO 11 N -3.68 3.16 0.25 3.69 0.04 -1.26 -4.88 135.00 132.32 1xwn s PRO 11 Ca 0.00 1.55 -0.05 0.00 0.04 0.00 0.00 61.00 62.54 1xwn s PRO 11 Cb 0.00 -4.28 0.32 0.00 0.04 0.00 0.00 34.50 30.58 1xwn s PRO 11 CO 0.00 -2.07 1.88 -1.35 0.04 0.00 0.00 177.00 175.50 1xwn h PRO 12 N 14.03 1.07 -5.84 0.56 0.11 -1.88 -3.44 132.00 136.61 1xwn h PRO 12 Ca -0.35 -0.06 -0.61 0.00 0.11 0.00 0.00 66.00 65.08 1xwn h PRO 12 Cb 1.19 -0.24 -0.13 0.00 0.11 0.00 0.00 31.00 31.94 1xwn h PRO 12 CO 1.03 0.71 -0.63 -0.80 -0.21 0.00 0.00 178.00 178.10 1xwn s ASN 13 N -5.88 3.91 -0.06 -2.05 -0.87 -1.26 -2.93 114.94 105.80 1xwn s ASN 13 Ca -0.13 -1.23 -0.05 0.00 -1.57 0.00 0.00 52.86 49.89 1xwn s ASN 13 Cb 0.18 -0.40 0.02 0.00 -0.02 0.00 0.00 41.25 41.03 1xwn s ASN 13 CO 0.80 -0.33 0.16 0.68 -2.57 0.00 0.00 177.10 175.84 1xwn s VAL 14 N -2.64 -0.01 -0.34 1.60 -7.23 -1.04 -3.06 120.40 107.69 1xwn s VAL 14 Ca 0.34 0.04 0.02 0.00 -1.81 0.00 0.00 61.98 60.58 1xwn s VAL 14 Cb 0.05 -0.24 0.09 0.00 0.56 0.00 0.00 36.38 36.85 1xwn s VAL 14 CO 0.18 0.02 0.05 -0.31 -0.31 0.00 0.00 175.10 174.72 1xwn s TYR 15 N 0.37 3.63 -0.58 2.82 1.51 -0.28 -2.06 117.35 122.76 1xwn s TYR 15 Ca -0.02 -2.73 -0.25 0.00 -1.01 0.00 0.00 57.07 53.05 1xwn s TYR 15 Cb -0.04 -2.76 0.04 0.00 -0.11 0.00 0.00 41.96 39.09 1xwn s TYR 15 CO -0.02 -0.93 1.05 -0.51 -1.11 0.00 0.00 175.55 174.03 1xwn s LEU 16 N 0.99 3.85 -0.93 -1.29 1.43 -1.00 -0.22 118.68 121.51 1xwn s LEU 16 Ca 0.06 -0.28 -0.20 0.00 -1.03 0.00 0.00 54.13 52.68 1xwn s LEU 16 Cb -0.20 -2.87 0.11 0.00 0.03 0.00 0.00 46.19 43.26 1xwn s LEU 16 CO -0.06 -1.37 1.19 -0.70 0.23 0.00 0.00 176.35 175.64 1xwn s GLU 17 N 4.41 3.57 0.36 1.70 2.12 -1.04 -2.87 118.70 126.95 1xwn s GLU 17 Ca 0.34 -1.55 0.08 0.00 0.36 0.00 0.00 54.97 54.20 1xwn s GLU 17 Cb -0.11 -4.98 -0.05 0.00 0.26 0.00 0.00 34.13 29.25 1xwn s GLU 17 CO 0.20 -1.88 0.10 -0.08 -0.54 0.00 0.00 175.26 173.06 1xwn s THR 18 N 3.33 2.64 0.25 -1.70 -1.32 -1.26 -2.35 115.64 115.24 1xwn s THR 18 Ca 0.35 -1.80 -0.01 0.00 -1.21 0.00 0.00 61.69 59.02 1xwn s THR 18 Cb -0.04 -2.92 0.05 0.00 -1.51 0.00 0.00 72.50 68.08 1xwn s THR 18 CO -0.08 -0.13 1.67 -1.28 -2.21 0.00 0.00 174.62 172.59 1xwn h SER 19 N 1.61 0.61 0.16 8.08 0.87 -0.67 -2.74 113.55 121.47 1xwn h SER 19 Ca -0.43 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 59.89 1xwn h SER 19 Cb 1.25 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1xwn h SER 19 CO 0.67 0.85 -0.11 -0.03 -0.53 0.00 0.00 176.83 177.68 1xwn h MET 20 N 0.53 0.00 0.00 2.24 1.85 -1.93 -3.48 114.93 114.14 1xwn h MET 20 Ca 0.07 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.16 1xwn h MET 20 Cb 0.71 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.74 1xwn h MET 20 CO 0.05 0.11 0.00 0.41 -0.40 0.00 0.00 176.91 177.09 1xwn n GLY 21 N -1.09 4.24 3.67 1.39 0.00 -1.03 -5.02 105.19 107.35 1xwn n GLY 21 Ca -0.02 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.51 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 4.70 -0.12 -0.61 1.10 -1.26 -3.99 121.20 119.02 1xwn s ILE 22 Ca 0.00 2.00 0.01 0.00 -0.51 0.00 0.00 60.65 62.16 1xwn s ILE 22 Cb 0.00 -4.29 0.02 0.00 0.15 0.00 0.00 42.46 38.34 1xwn s ILE 22 CO 0.00 -0.09 -0.16 0.27 -2.11 0.00 0.00 174.94 172.86 1xwn s ILE 23 N 2.62 1.56 -0.27 2.00 -0.00 -1.14 -4.82 121.20 121.15 1xwn s ILE 23 Ca 0.47 -0.67 -0.12 0.00 -0.00 0.00 0.00 60.65 60.33 1xwn s ILE 23 Cb -0.17 -1.43 -0.05 0.00 -0.00 0.00 0.00 42.46 40.81 1xwn s ILE 23 CO 0.13 0.45 0.24 -0.69 -0.00 0.00 0.00 174.94 175.07 1xwn s VAL 24 N 1.09 5.28 0.06 8.37 1.01 0.23 -2.38 120.40 134.05 1xwn s VAL 24 Ca -0.04 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.28 1xwn s VAL 24 Cb -0.14 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 1xwn s VAL 24 CO -0.04 0.24 -0.05 -0.76 0.00 0.00 0.00 175.10 174.49 1xwn s LEU 25 N 1.73 3.25 -0.42 3.92 2.01 -0.87 -2.37 118.68 125.92 1xwn s LEU 25 Ca 0.10 -0.22 -0.13 0.00 0.01 0.00 0.00 54.13 53.89 1xwn s LEU 25 Cb -0.16 -1.96 0.05 0.00 0.01 0.00 0.00 46.19 44.14 1xwn s LEU 25 CO 0.10 0.22 0.30 -0.70 1.01 0.00 0.00 176.35 177.28 1xwn s GLU 26 N -1.94 2.86 0.04 1.70 2.12 0.67 -2.49 118.70 121.66 1xwn s GLU 26 Ca 0.21 -1.24 -0.29 0.00 0.36 0.00 0.00 54.97 54.02 1xwn s GLU 26 Cb -0.11 -3.94 -0.04 0.00 0.26 0.00 0.00 34.13 30.30 1xwn s GLU 26 CO 0.13 -0.87 0.91 -0.51 -0.54 0.00 0.00 175.26 174.38 1xwn s LEU 27 N 1.59 4.42 -0.62 2.70 2.01 -1.15 -1.00 118.68 126.62 1xwn s LEU 27 Ca 0.04 1.63 -0.26 0.00 0.01 0.00 0.00 54.13 55.54 1xwn s LEU 27 Cb -0.22 -3.48 -0.03 0.00 0.01 0.00 0.00 46.19 42.47 1xwn s LEU 27 CO 0.07 -0.14 1.95 -0.31 1.01 0.00 0.00 176.35 178.93 1xwn s TYR 28 N 0.50 1.58 -1.88 0.29 2.02 -1.21 -4.82 117.35 113.84 1xwn s TYR 28 Ca 0.47 0.90 0.00 0.00 -0.37 0.00 0.00 57.07 58.07 1xwn s TYR 28 Cb -0.21 -4.00 0.00 0.00 -0.40 0.00 0.00 41.96 37.34 1xwn s TYR 28 CO 0.27 -2.28 0.84 -2.67 -1.57 0.00 0.00 175.55 170.14 1xwn n TRP 29 N 13.40 0.00 -0.01 2.71 4.27 -1.26 -1.56 117.44 135.00 1xwn n TRP 29 Ca 0.25 0.00 -0.01 0.00 -3.89 0.00 0.00 57.50 53.85 1xwn n TRP 29 Cb 0.52 -0.01 -0.00 0.00 -1.36 0.00 0.00 31.31 30.46 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 -0.43 0.04 -0.01 -2.67 4.01 -1.26 -4.57 118.16 113.28 1xwn n LYS 30 Ca 0.00 0.02 0.10 0.00 -0.51 0.00 0.00 58.31 57.92 1xwn n LYS 30 Cb 0.03 -0.57 -0.14 0.00 -0.51 0.00 0.00 35.03 33.84 1xwn n LYS 30 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1xwn n HIS 31 N -2.66 0.00 0.88 2.13 8.25 -1.26 -4.44 115.22 118.13 1xwn n HIS 31 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 1xwn n HIS 31 Cb 0.04 -0.28 0.18 0.00 1.12 0.00 0.00 29.99 31.05 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 -1.92 2.46 -0.42 -1.41 0.00 -0.60 -4.59 120.51 114.03 1xwn n ALA 32 Ca -0.01 -0.74 0.34 0.00 0.00 0.00 0.00 53.44 53.04 1xwn n ALA 32 Cb 0.45 -0.87 0.62 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 4.32 0.12 0.62 0.00 0.11 -1.67 0.94 132.00 136.44 1xwn h PRO 33 Ca 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 1xwn h PRO 33 Cb 0.93 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.02 1xwn h PRO 33 CO 0.00 0.08 -0.30 -0.22 -0.21 0.00 0.00 178.00 177.35 1xwn h LYS 34 N 0.13 -0.80 -0.62 1.05 1.63 -1.90 0.72 116.57 116.77 1xwn h LYS 34 Ca 0.79 0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.63 1xwn h LYS 34 Cb 2.39 0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 34.17 1xwn h LYS 34 CO -0.44 -0.49 0.29 1.79 -3.45 0.00 0.00 179.45 177.15 1xwn h THR 35 N -0.98 1.20 -0.10 1.00 1.35 -1.36 -2.22 112.91 111.80 1xwn h THR 35 Ca -0.09 -0.58 -0.01 0.00 -0.55 0.00 0.00 66.41 65.19 1xwn h THR 35 Cb 0.68 0.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.51 1xwn h THR 35 CO 0.14 0.24 0.02 0.00 -0.25 0.00 0.00 175.52 175.67 1xwn h LYS 37 N -0.05 0.99 -0.15 0.00 3.64 -0.60 0.18 116.57 120.58 1xwn h LYS 37 Ca 0.03 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 1xwn h LYS 37 Cb 0.28 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1xwn h LYS 37 CO 0.00 0.65 -0.35 -0.97 -2.27 0.00 0.00 179.45 176.51 1xwn h ASN 38 N 1.02 0.57 -0.41 4.20 -1.24 -1.19 -1.95 115.58 116.57 1xwn h ASN 38 Ca 0.43 -0.57 -0.01 0.00 0.71 0.00 0.00 56.30 56.86 1xwn h ASN 38 Cb 0.32 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 1xwn h ASN 38 CO -0.19 1.04 0.22 0.15 -1.29 0.00 0.00 177.43 177.36 1xwn h PHE 39 N 0.13 0.58 -0.18 0.67 3.04 -0.12 -0.65 116.94 120.40 1xwn h PHE 39 Ca -0.00 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.92 1xwn h PHE 39 Cb 0.96 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.28 1xwn h PHE 39 CO 0.10 0.45 0.06 0.00 -2.02 0.00 0.00 178.31 176.90 1xwn h ALA 40 N 1.07 0.24 -0.67 2.41 0.00 -0.71 -1.54 119.26 120.06 1xwn h ALA 40 Ca 0.15 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xwn h ALA 40 Cb 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1xwn h ALA 40 CO -0.02 -0.15 0.41 0.93 0.00 0.00 0.00 179.25 180.42 1xwn h GLU 41 N 0.12 0.90 -0.39 0.00 5.08 -1.24 -2.32 114.58 116.73 1xwn h GLU 41 Ca 0.06 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1xwn h GLU 41 Cb 0.21 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1xwn h GLU 41 CO -0.00 0.62 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.55 1xwn h LEU 42 N 0.90 0.59 -1.11 1.33 4.07 -1.01 0.62 115.31 120.70 1xwn h LEU 42 Ca 0.24 -0.12 -0.06 0.00 0.08 0.00 0.00 57.88 58.02 1xwn h LEU 42 Cb -0.05 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.51 1xwn h LEU 42 CO -0.05 0.66 0.03 0.00 -1.08 0.00 0.00 178.44 178.01 1xwn h ALA 43 N 1.41 1.27 0.02 1.53 0.00 -0.75 -2.45 119.26 120.29 1xwn h ALA 43 Ca 0.12 -0.22 -0.32 0.00 0.00 0.00 0.00 54.91 54.49 1xwn h ALA 43 Cb 0.38 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1xwn h ALA 43 CO 0.01 0.50 -1.92 2.89 0.00 0.00 0.00 179.25 180.73 1xwn n ARG 44 N -4.26 0.66 0.04 0.00 1.85 -0.98 -4.21 116.66 109.77 1xwn n ARG 44 Ca 0.02 0.23 0.12 0.00 -1.00 0.00 0.00 57.85 57.22 1xwn n ARG 44 Cb 0.25 -1.72 0.58 0.00 -1.05 0.00 0.00 32.46 30.53 1xwn n ARG 44 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1xwn h ARG 45 N 0.01 0.19 0.00 2.89 2.43 0.28 -3.46 114.38 116.73 1xwn h ARG 45 Ca -0.37 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 1xwn h ARG 45 Cb 2.06 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 1xwn h ARG 45 CO 0.06 0.13 0.00 0.41 -1.51 0.00 0.00 179.97 179.06 1xwn n GLY 46 N -1.56 1.82 0.13 2.80 0.00 -1.14 -5.04 105.19 102.21 1xwn n GLY 46 Ca 0.06 0.00 -0.23 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 -0.65 0.44 0.07 1.61 4.02 -0.93 -4.49 117.16 117.22 1xwn n TYR 47 Ca 0.00 0.13 -0.13 0.00 -0.01 0.00 0.00 57.90 57.90 1xwn n TYR 47 Cb 0.00 -1.05 -0.13 0.00 -0.02 0.00 0.00 39.34 38.13 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 -0.47 0.29 -1.74 -0.72 0.05 -1.82 -3.43 116.97 109.13 1xwn h TYR 48 Ca -0.55 -0.21 -0.54 0.00 0.05 0.00 0.00 58.73 57.48 1xwn h TYR 48 Cb 1.74 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 39.47 1xwn h TYR 48 CO 0.02 1.20 1.55 0.09 -1.05 0.00 0.00 178.16 179.97 1xwn n ASN 49 N -3.41 2.76 0.00 3.88 3.02 -1.26 -1.65 115.26 118.60 1xwn n ASN 49 Ca -0.09 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 1xwn n ASN 49 Cb 1.01 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 1xwn n ASN 49 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwn n GLY 50 N 5.93 1.67 4.01 7.41 0.00 -1.25 -4.96 105.19 118.00 1xwn n GLY 50 Ca 0.34 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.17 1xwn n GLY 50 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xwn s THR 51 N -2.00 2.61 -0.27 2.61 -1.32 -0.66 -4.95 115.64 111.66 1xwn s THR 51 Ca 0.00 -0.93 0.11 0.00 -1.21 0.00 0.00 61.69 59.67 1xwn s THR 51 Cb 0.00 -2.68 0.35 0.00 -1.51 0.00 0.00 72.50 68.65 1xwn s THR 51 CO 0.00 0.00 1.43 2.29 -2.21 0.00 0.00 174.62 176.13 1xwn n LYS 52 N -2.12 1.14 -0.92 7.08 -0.00 -1.26 -1.05 118.16 121.03 1xwn n LYS 52 Ca 0.11 -1.31 0.12 0.00 -0.00 0.00 0.00 58.31 57.24 1xwn n LYS 52 Cb 0.60 0.33 -0.03 0.00 -0.00 0.00 0.00 35.03 35.92 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 -1.22 -3.01 0.00 5.58 3.01 -1.25 -4.26 117.46 116.32 1xwn n PHE 53 Ca -0.18 1.14 0.00 0.00 1.01 0.00 0.00 57.45 59.42 1xwn n PHE 53 Cb 0.85 -2.06 0.00 0.00 -0.01 0.00 0.00 39.48 38.26 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 -3.15 -1.12 -3.99 1.38 1.44 -1.23 -4.59 115.22 103.96 1xwn n HIS 54 Ca 0.01 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.38 1xwn n HIS 54 Cb 0.42 0.40 -0.14 0.00 0.12 0.00 0.00 29.99 30.79 1xwn n HIS 54 CO 0.00 0.00 0.00 0.50 -2.81 0.00 0.00 176.34 174.03 1xwn s ARG 55 N -1.81 2.44 -0.24 -1.40 3.52 -1.23 -4.77 118.95 115.47 1xwn s ARG 55 Ca 0.00 -1.24 -0.01 0.00 -0.13 0.00 0.00 55.73 54.35 1xwn s ARG 55 Cb 0.00 -3.00 0.02 0.00 -1.56 0.00 0.00 34.95 30.41 1xwn s ARG 55 CO 0.00 -0.55 -0.08 0.42 -0.81 0.00 0.00 175.30 174.29 1xwn s ILE 56 N 1.20 2.79 -0.42 4.11 -1.09 -1.17 -2.18 121.20 124.45 1xwn s ILE 56 Ca -0.06 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 57.41 1xwn s ILE 56 Cb -0.19 -2.38 0.12 0.00 -1.58 0.00 0.00 42.46 38.42 1xwn s ILE 56 CO -0.04 0.25 0.16 -0.63 -1.23 0.00 0.00 174.94 173.46 1xwn s ILE 57 N 1.32 2.11 0.56 2.92 1.01 -0.04 -4.40 121.20 124.70 1xwn s ILE 57 Ca 0.01 -2.64 0.26 0.00 0.00 0.00 0.00 60.65 58.27 1xwn s ILE 57 Cb -0.16 -2.51 0.36 0.00 0.01 0.00 0.00 42.46 40.15 1xwn s ILE 57 CO -0.05 -0.73 2.08 0.07 0.00 0.00 0.00 174.94 176.31 1xwn h LYS 58 N 7.12 0.00 -1.03 2.79 5.09 -1.85 0.08 116.57 128.77 1xwn h LYS 58 Ca -0.06 0.00 -0.44 0.00 0.09 0.00 0.00 60.65 60.23 1xwn h LYS 58 Cb 0.96 0.00 -0.25 0.00 0.10 0.00 0.00 32.23 33.04 1xwn h LYS 58 CO 0.57 0.00 0.57 -3.47 -2.09 0.00 0.00 179.45 175.03 1xwn n ASP 59 N -4.08 4.16 0.00 7.07 2.03 -1.26 -4.74 116.55 119.72 1xwn n ASP 59 Ca 0.03 -3.35 0.00 0.00 0.52 0.00 0.00 54.79 51.99 1xwn n ASP 59 Cb 0.36 -0.81 0.00 0.00 -0.72 0.00 0.00 41.12 39.95 1xwn n ASP 59 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1xwn n PHE 60 N -0.80 -0.21 -3.81 -0.67 -0.00 -0.34 -4.98 117.46 106.65 1xwn n PHE 60 Ca 0.49 0.00 -0.08 0.00 -0.00 0.00 0.00 57.45 57.86 1xwn n PHE 60 Cb 1.34 0.04 0.02 0.00 -0.00 0.00 0.00 39.48 40.89 1xwn n PHE 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1xwn s MET 61 N -0.16 2.18 -0.26 -4.13 0.23 -0.13 -2.66 119.30 114.36 1xwn s MET 61 Ca 0.00 -1.39 -0.02 0.00 -1.03 0.00 0.00 55.69 53.25 1xwn s MET 61 Cb 0.00 0.62 0.08 0.00 -1.53 0.00 0.00 34.83 34.00 1xwn s MET 61 CO 0.00 -1.02 0.07 0.96 -2.03 0.00 0.00 175.02 173.00 1xwn s ILE 62 N -2.43 0.75 -0.12 3.16 -0.00 -0.90 -0.86 121.20 120.80 1xwn s ILE 62 Ca 0.15 -1.06 -0.16 0.00 -0.00 0.00 0.00 60.65 59.58 1xwn s ILE 62 Cb -0.05 -1.42 -0.04 0.00 -0.00 0.00 0.00 42.46 40.94 1xwn s ILE 62 CO 0.11 -0.48 0.41 -1.58 -0.00 0.00 0.00 174.94 173.40 1xwn s GLN 63 N 1.71 4.28 0.02 0.37 0.74 -0.93 -1.57 119.66 124.28 1xwn s GLN 63 Ca 0.05 0.32 -0.05 0.00 0.05 0.00 0.00 55.36 55.73 1xwn s GLN 63 Cb -0.17 -3.42 -0.05 0.00 1.10 0.00 0.00 33.01 30.48 1xwn s GLN 63 CO -0.19 0.23 0.26 0.20 -0.55 0.00 0.00 175.29 175.24 1xwn s GLY 64 N 0.44 2.23 0.52 2.59 0.00 0.09 -3.49 107.32 109.70 1xwn s GLY 64 Ca 0.23 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 44.34 1xwn s GLY 64 CO 0.08 -0.46 0.74 -0.32 0.00 0.00 0.00 173.10 173.14 1xwn s GLY 65 N -1.84 1.76 -0.45 0.20 0.00 -1.26 -3.30 107.32 102.43 1xwn s GLY 65 Ca 0.29 -1.26 0.07 0.00 0.00 0.00 0.00 44.72 43.81 1xwn s GLY 65 CO 0.18 -1.01 0.79 1.34 0.00 0.00 0.00 173.10 174.40 1xwn n ASP 66 N -2.26 -1.72 -3.18 1.64 2.03 -1.26 -4.80 116.55 107.01 1xwn n ASP 66 Ca 0.06 -3.15 -0.22 0.00 0.52 0.00 0.00 54.79 52.00 1xwn n ASP 66 Cb 0.59 0.97 0.20 0.00 -0.72 0.00 0.00 41.12 42.16 1xwn n ASP 66 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1xwn n PRO 67 N 1.37 -3.68 0.00 -0.67 -0.02 -1.26 -4.83 135.00 125.90 1xwn n PRO 67 Ca 0.13 -1.10 0.00 0.00 -2.02 0.00 0.00 63.50 60.51 1xwn n PRO 67 Cb 0.61 -1.31 0.00 0.00 -0.02 0.00 0.00 33.50 32.78 1xwn n PRO 67 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1xwn n THR 68 N -4.82 0.05 0.00 3.45 -2.24 -1.26 -4.94 114.28 104.51 1xwn n THR 68 Ca 0.10 0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 1xwn n THR 68 Cb 0.43 -1.27 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 2.67 0.82 0.98 3.38 0.00 -1.26 -5.05 105.19 106.72 1xwn n GLY 69 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xwn n GLY 69 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xwn n THR 70 N 0.00 0.00 -0.94 2.61 5.66 -1.26 -5.06 114.28 115.29 1xwn n THR 70 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1xwn n THR 70 Cb 0.00 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 68.65 1xwn n THR 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xwn n GLY 71 N 0.09 1.11 0.07 1.09 0.00 -1.26 -4.80 105.19 101.49 1xwn n GLY 71 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.20 0.00 -2.57 1.61 0.63 -1.26 -5.09 116.66 108.78 1xwn n ARG 72 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 1xwn n ARG 72 Cb 0.22 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.10 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 -1.24 0.95 -0.23 5.14 0.00 -1.26 -4.98 107.32 105.70 1xwn s GLY 73 Ca 0.00 -1.26 0.00 0.00 0.00 0.00 0.00 44.72 43.46 1xwn s GLY 73 CO 0.00 2.60 -0.05 -0.32 0.00 0.00 0.00 173.10 175.33 1xwn s GLY 74 N 3.56 1.24 -0.11 0.20 0.00 -1.26 -4.83 107.32 106.11 1xwn s GLY 74 Ca 0.36 -1.30 -0.10 0.00 0.00 0.00 0.00 44.72 43.69 1xwn s GLY 74 CO 0.17 0.97 0.30 0.00 0.00 0.00 0.00 173.10 174.54 1xwn s ALA 75 N 1.43 -0.74 0.64 3.20 0.00 -1.26 -4.69 121.76 120.35 1xwn s ALA 75 Ca -0.05 0.88 0.05 0.00 0.00 0.00 0.00 51.96 52.83 1xwn s ALA 75 Cb -0.19 -0.52 0.11 0.00 0.00 0.00 0.00 23.12 22.53 1xwn s ALA 75 CO -0.06 -0.15 0.86 -1.13 0.00 0.00 0.00 175.76 175.28 1xwn n SER 76 N 3.06 1.65 0.25 0.00 3.41 0.75 -4.94 113.62 117.81 1xwn n SER 76 Ca -0.14 -2.28 0.08 0.00 -0.26 0.00 0.00 58.87 56.28 1xwn n SER 76 Cb 0.57 -0.51 0.64 0.00 -0.26 0.00 0.00 64.21 64.66 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 -0.25 0.94 0.13 -1.33 3.07 -1.99 -2.83 117.51 115.25 1xwn h ILE 77 Ca -0.29 -0.24 -0.25 0.00 1.55 0.00 0.00 64.86 65.63 1xwn h ILE 77 Cb 1.18 1.13 0.01 0.00 -0.27 0.00 0.00 36.82 38.87 1xwn h ILE 77 CO 0.35 0.07 -1.25 1.88 -1.05 0.00 0.00 178.15 178.15 1xwn h TYR 78 N 0.00 0.50 0.00 0.16 0.05 -2.02 -3.50 116.97 112.16 1xwn h TYR 78 Ca -0.00 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 58.41 1xwn h TYR 78 Cb 0.13 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.85 1xwn h TYR 78 CO 0.00 1.49 0.00 0.41 -1.05 0.00 0.00 178.16 179.01 1xwn n GLY 79 N 1.72 -1.26 0.18 3.88 0.00 -1.07 -5.01 105.19 103.63 1xwn n GLY 79 Ca -0.21 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 1xwn n GLY 79 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xwn h LYS 80 N 0.00 0.55 -2.58 1.61 2.10 -1.83 0.21 116.57 116.64 1xwn h LYS 80 Ca 0.00 -0.11 -0.10 0.00 -2.00 0.00 0.00 60.65 58.44 1xwn h LYS 80 Cb 0.00 -0.09 -0.26 0.00 -0.90 0.00 0.00 32.23 30.98 1xwn h LYS 80 CO 0.00 0.55 -0.30 1.14 -2.00 0.00 0.00 179.45 178.84 1xwn s GLN 81 N -5.50 0.40 0.23 0.07 -2.07 -1.26 -4.53 119.66 106.99 1xwn s GLN 81 Ca -0.13 0.87 0.10 0.00 -1.82 0.00 0.00 55.36 54.38 1xwn s GLN 81 Cb 0.10 0.07 -0.04 0.00 -1.09 0.00 0.00 33.01 32.04 1xwn s GLN 81 CO 0.75 -0.18 -0.12 -0.59 -1.32 0.00 0.00 175.29 173.83 1xwn s PHE 82 N 1.69 2.51 1.33 9.60 -0.71 -1.26 -4.89 117.98 126.25 1xwn s PHE 82 Ca -0.08 -0.27 -0.22 0.00 -1.04 0.00 0.00 56.93 55.32 1xwn s PHE 82 Cb -0.09 -1.17 0.33 0.00 -1.21 0.00 0.00 43.02 40.89 1xwn s PHE 82 CO -0.13 0.59 1.03 -1.21 -1.34 0.00 0.00 175.22 174.15 1xwn s GLU 83 N -3.17 -2.22 0.08 1.99 8.01 -1.24 -2.32 118.70 119.83 1xwn s GLU 83 Ca 0.27 -0.04 -0.07 0.00 0.01 0.00 0.00 54.97 55.13 1xwn s GLU 83 Cb -0.07 -1.48 -0.05 0.00 -4.31 0.00 0.00 34.13 28.22 1xwn s GLU 83 CO 0.15 -4.37 0.35 0.16 0.01 0.00 0.00 175.26 171.56 1xwn s ASP 84 N -3.61 6.55 -0.46 -0.19 -4.77 -1.26 -4.73 116.67 108.19 1xwn s ASP 84 Ca 0.70 0.65 -0.11 0.00 -3.30 0.00 0.00 52.55 50.50 1xwn s ASP 84 Cb -0.10 -2.12 0.10 0.00 -1.09 0.00 0.00 42.92 39.71 1xwn s ASP 84 CO 0.57 0.16 0.34 -1.61 0.70 0.00 0.00 175.17 175.32 1xwn s GLU 85 N -2.11 2.63 0.02 2.11 2.02 -1.26 -5.06 118.70 117.05 1xwn s GLU 85 Ca 0.34 -1.62 0.02 0.00 0.02 0.00 0.00 54.97 53.73 1xwn s GLU 85 Cb -0.13 -3.94 -0.02 0.00 0.10 0.00 0.00 34.13 30.14 1xwn s GLU 85 CO 0.20 -1.12 -0.08 -1.17 0.02 0.00 0.00 175.26 173.11 1xwn s LEU 86 N 1.44 2.13 0.26 1.80 2.96 -1.26 -4.75 118.68 121.27 1xwn s LEU 86 Ca 0.04 -0.34 0.00 0.00 -0.22 0.00 0.00 54.13 53.61 1xwn s LEU 86 Cb -0.25 -0.30 0.00 0.00 0.50 0.00 0.00 46.19 46.13 1xwn s LEU 86 CO 0.01 -0.04 0.00 1.41 -1.32 0.00 0.00 176.35 176.41 1xwn n HIS 87 N 2.18 -3.59 -1.72 5.38 8.25 -1.26 -5.15 115.22 119.31 1xwn n HIS 87 Ca -0.18 0.87 -0.32 0.00 -0.26 0.00 0.00 57.72 57.84 1xwn n HIS 87 Cb 0.56 2.36 0.04 0.00 1.12 0.00 0.00 29.99 34.07 1xwn n HIS 87 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 1xwn s PRO 88 N -1.54 3.03 -0.03 -0.41 0.04 -1.26 -5.00 135.00 129.83 1xwn s PRO 88 Ca 0.00 1.06 -0.25 0.00 0.04 0.00 0.00 61.00 61.85 1xwn s PRO 88 Cb 0.00 -2.00 -0.20 0.00 0.04 0.00 0.00 34.50 32.34 1xwn s PRO 88 CO 0.00 -1.03 1.20 0.38 0.04 0.00 0.00 177.00 177.59 1xwn h ASP 89 N -0.33 0.10 -0.98 6.66 2.03 -2.05 -3.49 116.42 118.36 1xwn h ASP 89 Ca -0.45 -0.58 0.03 0.00 -0.73 0.00 0.00 57.03 55.30 1xwn h ASP 89 Cb 1.21 -0.03 -0.01 0.00 -0.83 0.00 0.00 39.33 39.68 1xwn h ASP 89 CO 0.57 0.66 -0.04 0.18 -1.03 0.00 0.00 179.24 179.57 1xwn n LEU 90 N -4.73 0.00 -4.52 0.15 4.32 -1.26 -4.94 117.00 106.03 1xwn n LEU 90 Ca -0.08 0.12 -0.24 0.00 -0.02 0.00 0.00 56.01 55.78 1xwn n LEU 90 Cb 0.33 -0.34 -0.11 0.00 -1.62 0.00 0.00 43.42 41.68 1xwn n LEU 90 CO 0.35 -1.32 -0.32 -0.54 -1.22 0.00 0.00 177.39 174.34 1xwn s LYS 91 N -0.19 1.76 -0.20 3.23 -0.14 -1.26 -5.07 119.74 117.87 1xwn s LYS 91 Ca 0.00 -1.95 0.08 0.00 -1.36 0.00 0.00 55.97 52.74 1xwn s LYS 91 Cb 0.00 -1.33 0.25 0.00 -1.68 0.00 0.00 37.83 35.07 1xwn s LYS 91 CO 0.00 -0.03 1.33 0.34 -0.76 0.00 0.00 175.35 176.22 1xwn n PHE 92 N -0.77 -1.21 0.00 3.18 -0.00 -1.26 -4.99 117.46 112.41 1xwn n PHE 92 Ca -0.04 -1.23 0.00 0.00 -0.00 0.00 0.00 57.45 56.17 1xwn n PHE 92 Cb 0.65 1.12 0.00 0.00 -0.00 0.00 0.00 39.48 41.25 1xwn n PHE 92 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 1xwn n THR 93 N -0.92 0.00 -1.64 -2.13 5.66 -1.26 -3.41 114.28 110.58 1xwn n THR 93 Ca -0.22 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.34 1xwn n THR 93 Cb 0.81 -0.87 -0.04 0.00 -1.55 0.00 0.00 70.33 68.69 1xwn n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xwn n GLY 94 N 2.59 1.46 3.53 1.09 0.00 -1.26 -3.09 105.19 109.51 1xwn n GLY 94 Ca 0.00 0.83 -0.51 0.00 0.00 0.00 0.00 46.02 46.34 1xwn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwn n ALA 95 N 8.38 -1.72 -0.12 4.61 0.00 -1.26 -4.14 120.51 126.25 1xwn n ALA 95 Ca 0.25 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1xwn n ALA 95 Cb 0.37 -1.91 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 1.92 0.91 3.31 0.00 0.00 -0.06 -4.95 105.19 106.31 1xwn n GLY 96 Ca 0.17 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.23 1xwn n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwn s ILE 97 N -2.08 1.53 -0.13 -0.61 -1.09 -1.08 -2.27 121.20 115.47 1xwn s ILE 97 Ca 0.00 -2.16 -0.02 0.00 -2.23 0.00 0.00 60.65 56.25 1xwn s ILE 97 Cb 0.00 -1.99 0.04 0.00 -1.58 0.00 0.00 42.46 38.93 1xwn s ILE 97 CO 0.00 -0.64 0.00 -0.76 -1.23 0.00 0.00 174.94 172.32 1xwn s LEU 98 N -3.27 0.96 -0.03 2.97 1.43 -0.91 -1.80 118.68 118.03 1xwn s LEU 98 Ca 0.21 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 1xwn s LEU 98 Cb 0.01 -0.58 -0.02 0.00 0.03 0.00 0.00 46.19 45.62 1xwn s LEU 98 CO 0.05 -0.23 -0.22 0.00 0.23 0.00 0.00 176.35 176.18 1xwn s ALA 99 N 1.87 2.32 -0.39 4.21 0.00 -1.19 -1.30 121.76 127.28 1xwn s ALA 99 Ca 0.02 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 50.62 1xwn s ALA 99 Cb -0.14 -0.68 0.02 0.00 0.00 0.00 0.00 23.12 22.32 1xwn s ALA 99 CO -0.07 0.54 1.11 1.41 0.00 0.00 0.00 175.76 178.75 1xwn s MET 100 N -0.64 3.91 0.65 0.00 1.75 0.19 -3.34 119.30 121.81 1xwn s MET 100 Ca 0.10 0.86 -0.03 0.00 -1.25 0.00 0.00 55.69 55.37 1xwn s MET 100 Cb -0.10 -3.82 0.05 0.00 2.84 0.00 0.00 34.83 33.80 1xwn s MET 100 CO -0.00 -1.12 0.92 0.00 -0.65 0.00 0.00 175.02 174.16 1xwn s ALA 101 N 4.04 3.45 0.02 4.11 0.00 -1.20 -3.64 121.76 128.55 1xwn s ALA 101 Ca 0.47 -1.11 -0.04 0.00 0.00 0.00 0.00 51.96 51.28 1xwn s ALA 101 Cb -0.10 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.63 1xwn s ALA 101 CO 0.23 -1.11 0.06 0.54 0.00 0.00 0.00 175.76 175.49 1xwn s ASN 102 N -4.49 0.15 0.29 0.00 2.20 -1.26 -4.21 114.94 107.62 1xwn s ASN 102 Ca 0.59 -0.41 0.04 0.00 -0.94 0.00 0.00 52.86 52.14 1xwn s ASN 102 Cb -0.10 0.17 0.43 0.00 -2.00 0.00 0.00 41.25 39.75 1xwn s ASN 102 CO 0.42 -0.39 1.72 0.00 -2.94 0.00 0.00 177.10 175.91 1xwn h ALA 103 N 4.22 1.11 -3.00 3.54 0.00 -1.70 -3.48 119.26 119.96 1xwn h ALA 103 Ca -0.32 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.19 1xwn h ALA 103 Cb 1.20 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1xwn h ALA 103 CO 0.44 0.56 0.27 0.20 0.00 0.00 0.00 179.25 180.72 1xwn s GLY 104 N -4.08 0.46 0.17 0.00 0.00 -1.02 -5.06 107.32 97.79 1xwn s GLY 104 Ca -0.06 -0.83 -0.34 0.00 0.00 0.00 0.00 44.72 43.50 1xwn s GLY 104 CO 0.78 -0.36 1.43 -1.05 0.00 0.00 0.00 173.10 173.91 1xwn n PRO 105 N -0.54 1.81 -2.48 2.90 -0.02 -1.26 -1.29 135.00 134.12 1xwn n PRO 105 Ca -0.09 0.65 -0.04 0.00 -2.02 0.00 0.00 63.50 62.00 1xwn n PRO 105 Cb 0.60 -2.33 -0.00 0.00 -0.02 0.00 0.00 33.50 31.75 1xwn n PRO 105 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1xwn n ASP 106 N 2.71 -2.03 -3.52 2.55 5.68 -1.26 -4.86 116.55 115.82 1xwn n ASP 106 Ca 0.15 0.39 -0.28 0.00 -0.50 0.00 0.00 54.79 54.55 1xwn n ASP 106 Cb 0.27 -1.82 -0.12 0.00 -1.14 0.00 0.00 41.12 38.31 1xwn n ASP 106 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1xwn s THR 107 N -2.22 0.64 0.59 2.12 2.01 -0.41 -3.63 115.64 114.73 1xwn s THR 107 Ca 0.00 -2.38 -0.08 0.00 0.31 0.00 0.00 61.69 59.54 1xwn s THR 107 Cb 0.00 -1.45 -0.02 0.00 0.01 0.00 0.00 72.50 71.04 1xwn s THR 107 CO 0.00 -1.06 0.93 0.20 -0.69 0.00 0.00 174.62 174.01 1xwn s ASN 108 N 0.41 5.92 0.00 3.53 0.01 -0.98 -1.98 114.94 121.85 1xwn s ASN 108 Ca 0.24 1.02 0.00 0.00 -0.71 0.00 0.00 52.86 53.41 1xwn s ASN 108 Cb -0.13 -2.09 0.00 0.00 0.41 0.00 0.00 41.25 39.44 1xwn s ASN 108 CO -0.08 -0.93 0.00 0.61 -1.51 0.00 0.00 177.10 175.20 1xwn n GLY 109 N -2.61 1.90 2.70 0.66 0.00 -1.26 -4.39 105.19 102.20 1xwn n GLY 109 Ca 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -0.87 -4.75 1.61 7.64 -1.26 -4.97 113.62 111.02 1xwn n SER 110 Ca 0.00 -2.20 -0.22 0.00 1.01 0.00 0.00 58.87 57.46 1xwn n SER 110 Cb 0.00 0.46 -0.06 0.00 -1.01 0.00 0.00 64.21 63.61 1xwn n SER 110 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xwn s GLN 111 N -0.67 2.59 -0.29 1.43 -0.21 -1.26 -4.04 119.66 117.21 1xwn s GLN 111 Ca 0.13 -1.29 -0.14 0.00 0.02 0.00 0.00 55.36 54.09 1xwn s GLN 111 Cb 0.42 -2.35 0.10 0.00 1.00 0.00 0.00 33.01 32.19 1xwn s GLN 111 CO -0.11 0.31 0.67 -0.59 -2.12 0.00 0.00 175.29 173.46 1xwn s PHE 112 N -2.27 -1.18 -0.11 0.91 -0.71 -1.21 -3.25 117.98 110.17 1xwn s PHE 112 Ca 0.34 2.22 0.00 0.00 -1.04 0.00 0.00 56.93 58.45 1xwn s PHE 112 Cb -0.06 0.71 -0.02 0.00 -1.21 0.00 0.00 43.02 42.43 1xwn s PHE 112 CO 0.23 -0.59 -0.11 -0.59 -1.34 0.00 0.00 175.22 172.82 1xwn s PHE 113 N 2.15 2.83 -0.41 3.49 -0.71 -1.21 -0.73 117.98 123.40 1xwn s PHE 113 Ca -0.08 -0.38 -0.18 0.00 -1.04 0.00 0.00 56.93 55.24 1xwn s PHE 113 Cb -0.08 -1.79 0.02 0.00 -1.21 0.00 0.00 43.02 39.96 1xwn s PHE 113 CO -0.20 -0.01 0.50 0.08 -1.34 0.00 0.00 175.22 174.25 1xwn s VAL 114 N -0.07 5.01 -0.65 -2.49 1.01 -0.61 -3.19 120.40 119.42 1xwn s VAL 114 Ca -0.01 -0.07 -0.28 0.00 0.00 0.00 0.00 61.98 61.62 1xwn s VAL 114 Cb -0.14 -4.06 0.03 0.00 0.00 0.00 0.00 36.38 32.21 1xwn s VAL 114 CO 0.03 -0.41 1.25 -0.89 0.00 0.00 0.00 175.10 175.08 1xwn s THR 115 N 2.37 3.87 -1.82 3.92 2.01 -0.75 -2.12 115.64 123.12 1xwn s THR 115 Ca 0.16 0.67 0.24 0.00 0.31 0.00 0.00 61.69 63.08 1xwn s THR 115 Cb -0.16 -4.78 0.11 0.00 0.01 0.00 0.00 72.50 67.68 1xwn s THR 115 CO 0.15 -1.54 1.31 0.00 -0.69 0.00 0.00 174.62 173.84 1xwn n LEU 116 N 8.96 1.47 -4.42 4.42 -0.00 -1.09 -0.88 117.00 125.47 1xwn n LEU 116 Ca 0.07 -0.50 -0.29 0.00 -0.00 0.00 0.00 56.01 55.30 1xwn n LEU 116 Cb 0.49 -0.06 -0.12 0.00 -0.00 0.00 0.00 43.42 43.72 1xwn n LEU 116 CO 0.71 0.28 -0.54 0.00 -0.00 0.00 0.00 177.39 177.84 1xwn s ALA 117 N -2.53 2.48 -0.37 1.47 0.00 -1.17 -4.41 121.76 117.22 1xwn s ALA 117 Ca 0.20 -1.49 -0.28 0.00 0.00 0.00 0.00 51.96 50.39 1xwn s ALA 117 Cb 0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 23.12 22.87 1xwn s ALA 117 CO 0.57 0.52 1.69 -1.25 0.00 0.00 0.00 175.76 177.30 1xwn s PRO 118 N -2.22 3.36 -0.29 0.00 0.04 -1.18 -4.74 135.00 129.96 1xwn s PRO 118 Ca 0.16 1.23 -0.02 0.00 0.04 0.00 0.00 61.00 62.42 1xwn s PRO 118 Cb -0.10 -4.16 0.10 0.00 0.04 0.00 0.00 34.50 30.38 1xwn s PRO 118 CO 0.08 -1.83 0.10 0.95 0.04 0.00 0.00 177.00 176.33 1xwn s THR 119 N 6.62 0.64 -0.12 1.26 -4.23 -1.22 -4.97 115.64 113.62 1xwn s THR 119 Ca 0.74 -1.18 0.17 0.00 -1.18 0.00 0.00 61.69 60.23 1xwn s THR 119 Cb -0.19 -1.46 -0.21 0.00 1.34 0.00 0.00 72.50 71.98 1xwn s THR 119 CO 0.32 -0.64 0.54 0.00 -0.54 0.00 0.00 174.62 174.30 1xwn n GLN 120 N 4.95 0.65 0.24 3.99 3.00 -1.26 -4.08 117.38 124.87 1xwn n GLN 120 Ca -0.04 0.12 0.14 0.00 -0.01 0.00 0.00 57.00 57.21 1xwn n GLN 120 Cb 0.42 -1.69 0.79 0.00 0.00 0.00 0.00 30.24 29.76 1xwn n GLN 120 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.06 177.17 1xwn h TRP 121 N 0.00 0.00 -0.04 1.08 0.09 -1.94 -0.30 115.95 114.84 1xwn h TRP 121 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.71 1xwn h TRP 121 Cb 1.78 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.02 1xwn h TRP 121 CO 0.00 0.00 0.00 1.47 0.09 0.00 0.00 178.44 180.00 1xwn n LEU 122 N -4.11 2.72 -4.57 0.11 -0.00 -1.26 -4.84 117.00 105.05 1xwn n LEU 122 Ca -0.01 -0.92 -0.19 0.00 -0.00 0.00 0.00 56.01 54.89 1xwn n LEU 122 Cb 0.19 -0.01 -0.08 0.00 -0.00 0.00 0.00 43.42 43.52 1xwn n LEU 122 CO 0.30 0.46 1.25 -0.62 -0.00 0.00 0.00 177.39 178.78 1xwn s ASP 123 N -1.98 4.15 0.00 1.45 -1.08 -0.13 -1.58 116.67 117.51 1xwn s ASP 123 Ca 0.30 -0.79 0.00 0.00 -0.52 0.00 0.00 52.55 51.54 1xwn s ASP 123 Cb 0.20 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1xwn s ASP 123 CO 0.31 -3.86 0.00 0.61 0.52 0.00 0.00 175.17 172.74 1xwn n GLY 124 N 6.38 1.17 0.29 2.66 0.00 -1.26 -5.02 105.19 109.40 1xwn n GLY 124 Ca 0.43 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.64 -6.10 1.61 1.57 -1.64 -3.44 116.57 107.93 1xwn h LYS 125 Ca 0.00 0.04 -0.59 0.00 -1.87 0.00 0.00 60.65 58.23 1xwn h LYS 125 Cb 0.00 0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 1xwn h LYS 125 CO 0.00 -0.34 -0.23 -1.01 -0.57 0.00 0.00 179.45 177.30 1xwn s HIS 126 N -4.43 3.60 0.33 -1.35 3.76 -1.26 -5.09 115.29 110.85 1xwn s HIS 126 Ca -0.13 0.83 -0.10 0.00 -0.15 0.00 0.00 55.06 55.50 1xwn s HIS 126 Cb 0.02 -2.19 -0.07 0.00 1.11 0.00 0.00 32.58 31.45 1xwn s HIS 126 CO 0.45 0.53 0.68 -0.08 -0.85 0.00 0.00 174.74 175.46 1xwn s THR 127 N -1.36 4.84 0.93 1.30 -1.32 -1.24 -4.96 115.64 113.84 1xwn s THR 127 Ca 0.32 0.55 -0.16 0.00 -1.21 0.00 0.00 61.69 61.20 1xwn s THR 127 Cb -0.14 -3.68 0.21 0.00 -1.51 0.00 0.00 72.50 67.38 1xwn s THR 127 CO 0.17 -0.31 1.26 -0.38 -2.21 0.00 0.00 174.62 173.15 1xwn n ILE 128 N -0.78 0.00 0.00 5.08 2.08 -1.26 0.54 119.36 125.01 1xwn n ILE 128 Ca 0.01 -0.94 0.00 0.00 0.56 0.00 0.00 62.75 62.39 1xwn n ILE 128 Cb 0.53 -1.53 0.00 0.00 -0.75 0.00 0.00 39.64 37.90 1xwn n ILE 128 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 1xwn n PHE 129 N -3.74 -0.35 -4.21 1.39 1.16 -0.94 -3.52 117.46 107.25 1xwn n PHE 129 Ca 0.16 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.56 1xwn n PHE 129 Cb 0.55 0.07 -0.06 0.00 -1.61 0.00 0.00 39.48 38.43 1xwn n PHE 129 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1xwn s GLY 130 N -1.42 2.09 0.05 4.97 0.00 -0.42 -3.29 107.32 109.31 1xwn s GLY 130 Ca 0.00 -1.90 0.01 0.00 0.00 0.00 0.00 44.72 42.83 1xwn s GLY 130 CO 0.00 -1.31 -0.06 -1.60 0.00 0.00 0.00 173.10 170.13 1xwn s ARG 131 N -3.22 0.58 -0.87 2.90 3.00 -0.17 -2.14 118.95 119.04 1xwn s ARG 131 Ca 0.37 -0.93 -0.11 0.00 -1.00 0.00 0.00 55.73 54.05 1xwn s ARG 131 Cb 0.01 -0.16 0.23 0.00 0.00 0.00 0.00 34.95 35.03 1xwn s ARG 131 CO 0.26 0.00 0.80 0.08 0.00 0.00 0.00 175.30 176.44 1xwn s VAL 132 N -2.24 5.45 -0.14 7.11 1.01 -0.96 -0.24 120.40 130.38 1xwn s VAL 132 Ca -0.03 -2.76 -0.24 0.00 0.00 0.00 0.00 61.98 58.94 1xwn s VAL 132 Cb -0.04 -4.36 -0.22 0.00 0.00 0.00 0.00 36.38 31.76 1xwn s VAL 132 CO -0.02 -1.05 0.60 0.00 0.00 0.00 0.00 175.10 174.63 1xwn s GLN 134 N -2.16 1.10 0.00 0.00 0.74 -1.00 -4.76 119.66 113.58 1xwn s GLN 134 Ca -0.18 -1.20 0.00 0.00 0.05 0.00 0.00 55.36 54.03 1xwn s GLN 134 Cb -0.02 -2.43 0.00 0.00 1.10 0.00 0.00 33.01 31.67 1xwn s GLN 134 CO 0.59 -0.86 0.00 0.41 -0.55 0.00 0.00 175.29 174.88 1xwn n GLY 135 N 4.68 0.38 0.45 2.59 0.00 -1.26 0.76 105.19 112.79 1xwn n GLY 135 Ca -0.03 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.54 -0.61 2.10 -1.86 0.11 117.51 117.14 1xwn h ILE 136 Ca 0.00 -0.08 -0.00 0.00 1.08 0.00 0.00 64.86 65.85 1xwn h ILE 136 Cb 0.00 0.15 -0.03 0.00 -1.09 0.00 0.00 36.82 35.86 1xwn h ILE 136 CO 0.00 0.04 0.33 1.23 -1.08 0.00 0.00 178.15 178.67 1xwn h GLY 137 N 0.24 0.77 0.55 8.18 0.00 -1.96 -0.19 103.07 110.67 1xwn h GLY 137 Ca 0.63 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 47.54 1xwn h GLY 137 CO -0.25 0.31 -0.40 1.98 0.00 0.00 0.00 176.54 178.18 1xwn h MET 138 N 0.72 0.25 -0.67 4.80 1.85 -1.26 -3.15 114.93 117.48 1xwn h MET 138 Ca 0.19 -0.28 0.09 0.00 -0.61 0.00 0.00 59.70 59.09 1xwn h MET 138 Cb -0.03 0.08 -0.04 0.00 0.43 0.00 0.00 31.60 32.05 1xwn h MET 138 CO -0.04 1.01 0.44 0.28 -0.40 0.00 0.00 176.91 178.21 1xwn h VAL 139 N -0.40 0.93 -0.53 -5.77 2.07 -1.01 -1.16 116.25 110.37 1xwn h VAL 139 Ca -0.05 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 1xwn h VAL 139 Cb 1.17 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1xwn h VAL 139 CO 0.08 0.10 -0.12 0.78 0.02 0.00 0.00 177.57 178.43 1xwn h ASN 140 N 0.54 1.01 0.05 0.57 4.21 -1.08 -2.76 115.58 118.13 1xwn h ASN 140 Ca 0.30 -0.34 -0.01 0.00 1.21 0.00 0.00 56.30 57.47 1xwn h ASN 140 Cb 0.47 -0.28 -0.00 0.00 -1.12 0.00 0.00 38.32 37.40 1xwn h ASN 140 CO -0.10 1.13 -0.04 0.03 -1.29 0.00 0.00 177.43 177.16 1xwn h ARG 141 N 0.90 0.00 -0.09 0.81 3.08 -1.17 -1.45 114.38 116.46 1xwn h ARG 141 Ca 0.14 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.21 1xwn h ARG 141 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.73 1xwn h ARG 141 CO 0.05 0.04 0.10 0.28 -1.07 0.00 0.00 179.97 179.37 1xwn h VAL 142 N 0.00 0.50 0.00 2.04 2.07 -1.25 -0.63 116.25 118.98 1xwn h VAL 142 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 1xwn h VAL 142 Cb 0.08 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1xwn h VAL 142 CO 0.01 0.00 -1.02 1.23 0.02 0.00 0.00 177.57 177.81 1xwn h GLY 143 N 0.00 0.00 2.00 2.17 0.00 -1.39 -3.33 103.07 102.52 1xwn h GLY 143 Ca 0.04 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.35 1xwn h GLY 143 CO -0.00 0.00 -0.13 -0.33 0.00 0.00 0.00 176.54 176.08 1xwn h MET 144 N 0.00 0.00 -7.21 4.80 2.07 -1.12 -3.44 114.93 110.03 1xwn h MET 144 Ca -0.07 0.00 -0.42 0.00 -2.07 0.00 0.00 59.70 57.14 1xwn h MET 144 Cb 1.31 0.00 0.20 0.00 -1.87 0.00 0.00 31.60 31.24 1xwn h MET 144 CO 0.03 0.13 0.03 0.08 1.07 0.00 0.00 176.91 178.25 1xwn s VAL 145 N -4.45 1.76 0.00 -2.22 1.01 -1.22 -4.99 120.40 110.30 1xwn s VAL 145 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 1xwn s VAL 145 Cb 0.14 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1xwn s VAL 145 CO 0.62 0.00 0.69 -0.70 0.00 0.00 0.00 175.10 175.72 1xwn s GLU 146 N -4.86 4.42 0.56 2.72 2.12 -1.26 -5.00 118.70 117.41 1xwn s GLU 146 Ca 0.68 0.91 0.09 0.00 0.36 0.00 0.00 54.97 57.01 1xwn s GLU 146 Cb -0.19 -3.37 0.08 0.00 0.26 0.00 0.00 34.13 30.91 1xwn s GLU 146 CO 0.60 0.27 0.75 0.95 -0.54 0.00 0.00 175.26 177.29 1xwn s THR 147 N 0.08 2.15 -0.31 -1.70 -4.23 -1.26 -1.26 115.64 109.11 1xwn s THR 147 Ca 0.36 -1.04 0.09 0.00 -1.18 0.00 0.00 61.69 59.91 1xwn s THR 147 Cb -0.19 -2.19 0.54 0.00 1.34 0.00 0.00 72.50 71.99 1xwn s THR 147 CO 0.20 0.00 1.54 0.59 -0.54 0.00 0.00 174.62 176.41 1xwn n ASN 148 N -2.18 2.80 -1.91 3.99 4.13 -0.43 -4.82 115.26 116.84 1xwn n ASN 148 Ca 0.14 -3.70 -0.17 0.00 1.68 0.00 0.00 54.58 52.53 1xwn n ASN 148 Cb 0.62 -0.66 -0.04 0.00 -1.54 0.00 0.00 39.78 38.15 1xwn n ASN 148 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1xwn n SER 149 N -1.07 -4.73 -1.68 6.41 7.64 -1.26 -4.72 113.62 114.21 1xwn n SER 149 Ca 0.37 0.27 -0.04 0.00 1.01 0.00 0.00 58.87 60.47 1xwn n SER 149 Cb 1.13 -4.12 0.01 0.00 -1.01 0.00 0.00 64.21 60.22 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 -2.49 0.54 -3.61 1.43 6.02 -1.26 -5.00 117.38 113.02 1xwn n GLN 150 Ca -0.18 -1.24 -0.23 0.00 -0.01 0.00 0.00 57.00 55.34 1xwn n GLN 150 Cb 0.60 0.36 0.07 0.00 1.02 0.00 0.00 30.24 32.29 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 -0.53 -4.27 -3.67 1.08 8.00 -1.26 -4.93 116.55 110.97 1xwn n ASP 151 Ca -0.21 -0.63 -0.29 0.00 0.71 0.00 0.00 54.79 54.36 1xwn n ASP 151 Cb 0.79 -4.79 -0.13 0.00 -0.02 0.00 0.00 41.12 36.98 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 -6.04 1.14 0.33 -1.24 3.52 -1.26 -3.04 118.95 112.36 1xwn s ARG 152 Ca 0.36 -1.85 -0.29 0.00 -0.13 0.00 0.00 55.73 53.82 1xwn s ARG 152 Cb -0.16 -2.15 -0.10 0.00 -1.56 0.00 0.00 34.95 30.98 1xwn s ARG 152 CO 0.75 -1.16 1.33 -1.25 -0.81 0.00 0.00 175.30 174.16 1xwn s PRO 153 N 0.53 4.33 0.11 5.12 0.04 -1.26 -1.31 135.00 142.55 1xwn s PRO 153 Ca 0.17 2.25 -0.22 0.00 0.04 0.00 0.00 61.00 63.25 1xwn s PRO 153 Cb -0.24 -3.06 -0.09 0.00 0.04 0.00 0.00 34.50 31.15 1xwn s PRO 153 CO -0.00 -0.23 1.71 0.28 0.04 0.00 0.00 177.00 178.80 1xwn h VAL 154 N 3.06 0.85 -2.44 -0.36 2.07 -1.50 -2.99 116.25 114.94 1xwn h VAL 154 Ca -0.49 0.00 -0.80 0.00 0.82 0.00 0.00 66.70 66.23 1xwn h VAL 154 Cb 1.23 0.85 -0.25 0.00 -1.52 0.00 0.00 31.29 31.60 1xwn h VAL 154 CO 0.66 0.00 1.12 0.47 0.02 0.00 0.00 177.57 179.84 1xwn n ASP 155 N -5.17 6.52 -4.43 0.57 9.92 -1.26 -5.03 116.55 117.66 1xwn n ASP 155 Ca -0.05 -3.41 -0.35 0.00 -0.53 0.00 0.00 54.79 50.45 1xwn n ASP 155 Cb 0.10 -1.29 0.09 0.00 -0.64 0.00 0.00 41.12 39.38 1xwn n ASP 155 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1xwn n ASP 156 N 1.44 -1.68 -4.74 -2.24 5.75 -1.13 -4.94 116.55 109.01 1xwn n ASP 156 Ca 0.34 0.48 -0.40 0.00 -0.01 0.00 0.00 54.79 55.20 1xwn n ASP 156 Cb 0.32 -1.20 -0.05 0.00 -1.03 0.00 0.00 41.12 39.15 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 -2.10 4.20 -0.08 2.12 1.01 -1.26 -4.95 120.40 119.35 1xwn s VAL 157 Ca 0.61 2.07 -0.02 0.00 0.00 0.00 0.00 61.98 64.65 1xwn s VAL 157 Cb -0.29 -4.32 0.03 0.00 0.00 0.00 0.00 36.38 31.80 1xwn s VAL 157 CO 0.62 0.43 0.01 -1.59 0.00 0.00 0.00 175.10 174.58 1xwn s LYS 158 N -0.78 0.55 0.17 2.72 -2.85 -1.26 -3.93 119.74 114.36 1xwn s LYS 158 Ca 0.43 0.10 -0.09 0.00 -1.00 0.00 0.00 55.97 55.41 1xwn s LYS 158 Cb -0.25 -1.01 -0.06 0.00 -2.06 0.00 0.00 37.83 34.44 1xwn s LYS 158 CO 0.31 -0.33 0.48 0.42 0.10 0.00 0.00 175.35 176.33 1xwn s ILE 159 N 1.98 5.01 -0.05 3.79 1.01 -0.22 0.10 121.20 132.83 1xwn s ILE 159 Ca 0.05 0.40 0.01 0.00 0.00 0.00 0.00 60.65 61.11 1xwn s ILE 159 Cb -0.13 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.67 1xwn s ILE 159 CO -0.05 0.07 -0.04 2.30 0.00 0.00 0.00 174.94 177.22 1xwn n ILE 160 N 0.26 0.31 -3.95 2.92 -0.00 -1.21 -3.89 119.36 113.80 1xwn n ILE 160 Ca -0.03 -0.13 -0.08 0.00 -0.00 0.00 0.00 62.75 62.51 1xwn n ILE 160 Cb 0.52 -0.73 -0.04 0.00 -0.00 0.00 0.00 39.64 39.40 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 -2.11 1.65 -0.03 6.28 -2.85 -0.99 -4.52 119.74 117.18 1xwn s LYS 161 Ca -0.07 -1.18 0.02 0.00 -1.00 0.00 0.00 55.97 53.74 1xwn s LYS 161 Cb 0.02 0.52 0.01 0.00 -2.06 0.00 0.00 37.83 36.31 1xwn s LYS 161 CO 0.13 -0.72 -0.08 0.00 0.10 0.00 0.00 175.35 174.79 1xwn s ALA 162 N -3.92 0.82 -0.62 0.59 0.00 -1.26 -2.49 121.76 114.87 1xwn s ALA 162 Ca 0.19 -0.27 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 1xwn s ALA 162 Cb -0.03 -0.34 0.16 0.00 0.00 0.00 0.00 23.12 22.92 1xwn s ALA 162 CO 0.09 0.11 0.48 -0.47 0.00 0.00 0.00 175.76 175.96 1xwn s TYR 163 N 0.34 3.51 -0.61 0.00 5.04 0.69 -4.91 117.35 121.41 1xwn s TYR 163 Ca -0.05 -2.28 -0.28 0.00 -2.44 0.00 0.00 57.07 52.02 1xwn s TYR 163 Cb -0.10 -3.44 0.03 0.00 0.35 0.00 0.00 41.96 38.80 1xwn s TYR 163 CO 0.01 -0.93 1.23 -1.25 -1.34 0.00 0.00 175.55 173.27 1xwn s PRO 164 N 0.48 3.43 -1.17 4.97 0.04 -1.26 -1.12 135.00 140.36 1xwn s PRO 164 Ca 0.13 0.16 -0.22 0.00 0.04 0.00 0.00 61.00 61.12 1xwn s PRO 164 Cb -0.20 -4.06 -0.07 0.00 0.04 0.00 0.00 34.50 30.21 1xwn s PRO 164 CO -0.04 -1.80 1.91 0.45 0.04 0.00 0.00 177.00 177.55 1xwn n SER 165 N 8.74 3.32 0.00 6.66 2.88 -1.17 -5.01 113.62 129.04 1xwn n SER 165 Ca 0.08 -2.73 0.00 0.00 -1.33 0.00 0.00 58.87 54.88 1xwn n SER 165 Cb 0.49 -1.68 0.00 0.00 -0.75 0.00 0.00 64.21 62.27 1xwn n SER 165 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42