#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m0w h PRO 4 N 7.23 0.84 -0.29 0.00 0.11 -2.05 -0.43 132.00 137.41 3m0w h PRO 4 Ca -0.06 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.85 3m0w h PRO 4 Cb 0.97 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 3m0w h PRO 4 CO 0.55 0.56 -0.38 1.25 -0.21 0.00 0.00 178.00 179.77 3m0w h LEU 5 N 0.87 0.83 -0.53 2.35 5.85 -1.99 0.28 115.31 122.97 3m0w h LEU 5 Ca 0.53 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3m0w h LEU 5 Cb 0.68 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3m0w h LEU 5 CO -0.32 1.16 0.27 -0.33 -0.34 0.00 0.00 178.44 178.88 3m0w h GLU 6 N 0.52 0.75 -0.46 1.25 5.08 -1.91 -1.71 114.58 118.11 3m0w h GLU 6 Ca 0.03 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3m0w h GLU 6 Cb 0.97 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 3m0w h GLU 6 CO 0.09 0.60 0.27 -0.22 -1.00 0.00 0.00 179.01 178.75 3m0w h LYS 7 N 0.71 0.61 -0.41 2.33 3.64 -0.80 -1.88 116.57 120.77 3m0w h LYS 7 Ca 0.18 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3m0w h LYS 7 Cb 0.08 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3m0w h LYS 7 CO -0.03 0.43 0.17 0.00 -2.27 0.00 0.00 179.45 177.76 3m0w h ALA 8 N 1.67 0.53 -0.76 5.00 0.00 0.41 -0.33 119.26 125.79 3m0w h ALA 8 Ca 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3m0w h ALA 8 Cb -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3m0w h ALA 8 CO -0.03 0.13 0.36 -0.07 0.00 0.00 0.00 179.25 179.64 3m0w h LEU 9 N 0.52 1.00 -0.02 0.00 3.38 -1.04 -0.36 115.31 118.79 3m0w h LEU 9 Ca 0.14 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3m0w h LEU 9 Cb 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3m0w h LEU 9 CO -0.01 0.86 -0.04 -0.78 0.09 0.00 0.00 178.44 178.56 3m0w h ASP 10 N 1.08 -0.12 -0.96 -0.43 3.58 -1.02 -1.09 116.42 117.46 3m0w h ASP 10 Ca 0.26 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.74 3m0w h ASP 10 Cb 0.13 0.06 -0.05 0.00 1.72 0.00 0.00 39.33 41.19 3m0w h ASP 10 CO -0.03 -0.06 0.63 0.58 -2.88 0.00 0.00 179.24 177.48 3m0w h VAL 11 N -0.06 1.25 -0.50 2.25 2.07 -0.63 0.06 116.25 120.69 3m0w h VAL 11 Ca 0.03 -0.46 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3m0w h VAL 11 Cb 0.09 -0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.67 3m0w h VAL 11 CO -0.06 0.24 0.29 0.24 0.02 0.00 0.00 177.57 178.30 3m0w h MET 12 N 1.30 0.55 0.02 1.57 2.86 -0.49 -1.09 114.93 119.66 3m0w h MET 12 Ca 0.35 -0.03 -0.26 0.00 -2.06 0.00 0.00 59.70 57.70 3m0w h MET 12 Cb -0.14 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.41 3m0w h MET 12 CO -0.07 0.37 -1.04 0.28 1.06 0.00 0.00 176.91 177.50 3m0w h VAL 13 N 0.57 1.34 -0.16 -2.22 2.07 -0.91 -3.23 116.25 113.71 3m0w h VAL 13 Ca 0.21 -2.40 -0.22 0.00 0.82 0.00 0.00 66.70 65.11 3m0w h VAL 13 Cb 0.05 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 32.29 3m0w h VAL 13 CO -0.11 0.73 -0.76 0.28 0.02 0.00 0.00 177.57 177.73 3m0w h SER 14 N 0.30 0.91 -0.47 0.57 0.02 -0.87 -3.11 113.55 110.90 3m0w h SER 14 Ca -0.12 -0.59 -0.02 0.00 -0.84 0.00 0.00 61.79 60.23 3m0w h SER 14 Cb 1.69 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.94 3m0w h SER 14 CO 0.19 1.38 0.24 0.74 -1.14 0.00 0.00 176.83 178.25 3m0w h THR 15 N 0.53 1.17 -0.31 -2.27 2.02 -1.29 -0.03 112.91 112.73 3m0w h THR 15 Ca -0.05 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 66.68 3m0w h THR 15 Cb 1.38 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 3m0w h THR 15 CO 0.16 0.20 0.14 0.15 0.37 0.00 0.00 175.52 176.53 3m0w h PHE 16 N 0.70 0.25 0.00 3.16 3.57 -1.55 -2.71 116.94 120.36 3m0w h PHE 16 Ca 0.18 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 3m0w h PHE 16 Cb 0.07 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3m0w h PHE 16 CO 0.01 0.13 -0.14 0.45 -2.23 0.00 0.00 178.31 176.52 3m0w h HIS 17 N 0.29 0.00 0.00 0.41 3.86 -1.33 -1.75 115.15 116.63 3m0w h HIS 17 Ca 0.13 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 3m0w h HIS 17 Cb 0.07 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 3m0w h HIS 17 CO -0.11 0.14 -0.06 -0.22 0.86 0.00 0.00 177.93 178.54 3m0w h LYS 18 N 0.00 0.00 0.00 2.45 3.64 -0.70 -3.18 116.57 118.78 3m0w h LYS 18 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3m0w h LYS 18 Cb 1.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3m0w h LYS 18 CO 0.02 0.06 -1.49 0.66 -2.27 0.00 0.00 179.45 176.42 3m0w n TYR 19 N -4.06 0.00 0.08 1.91 4.01 -1.05 -4.64 117.16 113.41 3m0w n TYR 19 Ca -0.03 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.59 3m0w n TYR 19 Cb 0.15 -0.27 -0.13 0.00 -0.31 0.00 0.00 39.34 38.77 3m0w n TYR 19 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3m0w h SER 20 N 0.00 0.27 -0.04 7.72 4.64 -1.32 -3.17 113.55 121.64 3m0w h SER 20 Ca -0.04 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3m0w h SER 20 Cb 0.65 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3m0w h SER 20 CO 0.00 1.23 0.00 0.61 -0.87 0.00 0.00 176.83 177.81 3m0w n GLY 21 N 1.48 -0.78 0.06 -0.77 0.00 -0.93 -4.15 105.19 100.11 3m0w n GLY 21 Ca -0.07 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3m0w n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3m0w h LYS 22 N 0.31 0.02 -4.48 1.61 1.57 -1.81 -3.47 116.57 110.31 3m0w h LYS 22 Ca 0.00 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 3m0w h LYS 22 Cb 0.07 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.23 3m0w h LYS 22 CO 0.00 0.53 -0.68 -1.83 -0.57 0.00 0.00 179.45 176.90 3m0w s GLU 23 N -4.13 0.77 5.83 3.15 -1.05 -1.26 -5.10 118.70 116.91 3m0w s GLU 23 Ca -0.16 -1.31 0.00 0.00 -0.15 0.00 0.00 54.97 53.35 3m0w s GLU 23 Cb 0.02 -0.01 0.00 0.00 -0.44 0.00 0.00 34.13 33.69 3m0w s GLU 23 CO 0.68 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 177.22 3m0w n GLY 24 N 0.00 2.61 3.68 -3.83 0.00 -1.26 -4.41 105.19 101.99 3m0w n GLY 24 Ca -0.12 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 3m0w n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m0w s ASP 25 N -4.00 6.46 0.37 1.61 -1.08 -1.26 -4.88 116.67 113.89 3m0w s ASP 25 Ca 0.00 2.69 0.28 0.00 -0.52 0.00 0.00 52.55 54.99 3m0w s ASP 25 Cb 0.00 -2.56 1.10 0.00 -1.46 0.00 0.00 42.92 40.00 3m0w s ASP 25 CO 0.00 -0.99 1.82 0.07 0.52 0.00 0.00 175.17 176.58 3m0w h LYS 26 N 8.96 0.00 -0.37 4.34 2.10 -1.77 -3.14 116.57 126.68 3m0w h LYS 26 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 3m0w h LYS 26 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3m0w h LYS 26 CO 0.94 0.00 0.00 1.19 -2.00 0.00 0.00 179.45 179.58 3m0w n PHE 27 N -2.59 1.18 -3.93 0.07 3.72 -1.26 -2.18 117.46 112.46 3m0w n PHE 27 Ca 0.02 -0.78 -0.09 0.00 -0.05 0.00 0.00 57.45 56.55 3m0w n PHE 27 Cb 0.28 -0.32 -0.09 0.00 -0.94 0.00 0.00 39.48 38.41 3m0w n PHE 27 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3m0w s LYS 28 N -2.52 0.63 -0.28 -1.08 1.02 -1.19 -4.35 119.74 111.97 3m0w s LYS 28 Ca 0.44 -0.83 -0.12 0.00 0.02 0.00 0.00 55.97 55.48 3m0w s LYS 28 Cb 0.33 0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.84 3m0w s LYS 28 CO 0.13 -0.16 0.23 -0.51 -0.92 0.00 0.00 175.35 174.12 3m0w s LEU 29 N -2.31 4.05 0.79 3.17 1.43 -0.13 -4.60 118.68 121.09 3m0w s LEU 29 Ca -0.02 0.03 -0.07 0.00 -1.03 0.00 0.00 54.13 53.03 3m0w s LEU 29 Cb 0.01 -2.18 0.13 0.00 0.03 0.00 0.00 46.19 44.18 3m0w s LEU 29 CO -0.06 -0.09 1.10 0.54 0.23 0.00 0.00 176.35 178.07 3m0w s ASN 30 N 1.74 4.10 0.25 2.29 2.20 -1.26 -0.58 114.94 123.67 3m0w s ASN 30 Ca 0.09 0.05 -0.04 0.00 -0.94 0.00 0.00 52.86 52.02 3m0w s ASN 30 Cb -0.16 -0.40 0.49 0.00 -2.00 0.00 0.00 41.25 39.17 3m0w s ASN 30 CO 0.11 -2.05 1.71 0.50 -2.94 0.00 0.00 177.10 174.43 3m0w h LYS 31 N -0.88 0.38 0.05 3.55 3.64 -1.99 0.18 116.57 121.50 3m0w h LYS 31 Ca -0.41 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.94 3m0w h LYS 31 Cb 1.27 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3m0w h LYS 31 CO 0.45 0.25 -0.02 1.03 -2.27 0.00 0.00 179.45 178.89 3m0w h SER 32 N 0.39 -0.06 -0.91 4.20 0.87 -1.98 -0.74 113.55 115.33 3m0w h SER 32 Ca 0.43 -0.34 0.03 0.00 -1.23 0.00 0.00 61.79 60.68 3m0w h SER 32 Cb 0.69 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.61 3m0w h SER 32 CO -0.44 0.31 0.60 -0.33 -0.53 0.00 0.00 176.83 176.44 3m0w h GLU 33 N -0.43 1.12 -0.66 2.24 5.08 -1.72 -1.33 114.58 118.88 3m0w h GLU 33 Ca -0.01 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3m0w h GLU 33 Cb 0.39 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3m0w h GLU 33 CO 0.01 0.74 0.23 1.25 -1.00 0.00 0.00 179.01 180.24 3m0w h LEU 34 N 1.15 0.95 -0.62 1.33 5.85 -0.42 -1.93 115.31 121.62 3m0w h LEU 34 Ca 0.36 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3m0w h LEU 34 Cb -0.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3m0w h LEU 34 CO -0.10 0.89 0.26 0.50 -0.34 0.00 0.00 178.44 179.65 3m0w h LYS 35 N 0.95 0.92 0.46 1.25 3.64 -0.50 -0.82 116.57 122.47 3m0w h LYS 35 Ca 0.22 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3m0w h LYS 35 Cb 0.27 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3m0w h LYS 35 CO -0.01 0.77 -0.49 0.93 -2.27 0.00 0.00 179.45 178.38 3m0w h GLU 36 N 0.86 -0.93 -0.22 1.90 5.08 -0.98 -1.25 114.58 119.04 3m0w h GLU 36 Ca 0.21 0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.69 3m0w h GLU 36 Cb 0.18 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 3m0w h GLU 36 CO -0.02 -0.62 -0.23 1.25 -1.00 0.00 0.00 179.01 178.40 3m0w h LEU 37 N -0.96 -0.73 -0.10 1.33 6.46 -1.26 0.28 115.31 120.33 3m0w h LEU 37 Ca -0.05 0.13 0.03 0.00 -0.12 0.00 0.00 57.88 57.87 3m0w h LEU 37 Cb 0.85 0.34 -0.03 0.00 -0.73 0.00 0.00 40.66 41.09 3m0w h LEU 37 CO -0.08 -0.27 -0.09 -0.07 -0.62 0.00 0.00 178.44 177.32 3m0w h LEU 38 N -0.25 -0.27 -0.27 2.25 3.38 -1.11 0.42 115.31 119.46 3m0w h LEU 38 Ca 0.13 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3m0w h LEU 38 Cb 0.44 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3m0w h LEU 38 CO -0.36 -0.12 0.15 0.74 0.09 0.00 0.00 178.44 178.94 3m0w h THR 39 N -0.10 1.01 0.00 0.22 2.02 -0.54 0.12 112.91 115.65 3m0w h THR 39 Ca 0.07 -0.11 -0.21 0.00 0.77 0.00 0.00 66.41 66.94 3m0w h THR 39 Cb 0.20 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3m0w h THR 39 CO -0.16 0.06 -1.25 0.03 0.37 0.00 0.00 175.52 174.57 3m0w h ARG 40 N 0.31 0.00 0.00 6.66 3.08 -0.31 -3.36 114.38 120.76 3m0w h ARG 40 Ca 0.11 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 3m0w h ARG 40 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 3m0w h ARG 40 CO -0.06 0.57 -1.44 0.39 -1.07 0.00 0.00 179.97 178.36 3m0w n GLU 41 N -3.11 0.56 -2.62 0.04 -0.58 0.14 -4.75 120.64 110.32 3m0w n GLU 41 Ca -0.07 -0.07 -0.15 0.00 -0.42 0.00 0.00 57.16 56.44 3m0w n GLU 41 Cb 0.92 -1.22 0.02 0.00 -0.57 0.00 0.00 31.44 30.59 3m0w n GLU 41 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3m0w n LEU 42 N -1.88 2.48 0.25 -4.62 4.77 0.41 -4.92 117.00 113.49 3m0w n LEU 42 Ca -0.03 -4.24 0.11 0.00 -0.03 0.00 0.00 56.01 51.81 3m0w n LEU 42 Cb 0.30 0.15 0.71 0.00 -2.33 0.00 0.00 43.42 42.25 3m0w n LEU 42 CO 0.19 1.80 1.09 1.55 -1.33 0.00 0.00 177.39 180.69 3m0w h PRO 43 N 2.87 0.00 -0.08 3.23 0.13 -1.67 -1.54 132.00 134.94 3m0w h PRO 43 Ca 0.03 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.07 3m0w h PRO 43 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3m0w h PRO 43 CO 0.61 0.00 -0.36 0.77 -0.23 0.00 0.00 178.00 178.79 3m0w h SER 44 N 0.00 0.17 0.03 1.44 0.02 -1.89 -1.54 113.55 111.78 3m0w h SER 44 Ca 0.02 -0.06 -0.18 0.00 -0.84 0.00 0.00 61.79 60.72 3m0w h SER 44 Cb 0.07 -0.05 0.02 0.00 0.14 0.00 0.00 62.40 62.58 3m0w h SER 44 CO -0.00 0.52 -0.73 0.15 -1.14 0.00 0.00 176.83 175.63 3m0w h PHE 45 N 0.14 0.68 0.00 3.45 3.57 -1.65 -3.28 116.94 119.85 3m0w h PHE 45 Ca 0.02 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.13 3m0w h PHE 45 Cb 0.71 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.38 3m0w h PHE 45 CO 0.01 1.23 -0.22 1.25 -2.23 0.00 0.00 178.31 178.35 3m0w h LEU 46 N -0.06 0.00 0.00 0.59 6.46 -1.48 -3.49 115.31 117.33 3m0w h LEU 46 Ca -0.10 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.63 3m0w h LEU 46 Cb 1.45 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.38 3m0w h LEU 46 CO 0.14 0.01 0.00 0.61 -0.62 0.00 0.00 178.44 178.59 3m0w n GLY 47 N 1.21 0.90 3.32 3.75 0.00 -0.58 -4.76 105.19 109.03 3m0w n GLY 47 Ca 0.04 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.03 3m0w n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3m0w s LYS 48 N 0.00 1.26 -1.41 1.61 1.02 -1.26 -4.82 119.74 116.14 3m0w s LYS 48 Ca 0.00 -1.43 -0.03 0.00 0.02 0.00 0.00 55.97 54.52 3m0w s LYS 48 Cb 0.00 -1.23 0.03 0.00 -0.52 0.00 0.00 37.83 36.11 3m0w s LYS 48 CO 0.00 0.24 0.62 0.54 -0.92 0.00 0.00 175.35 175.83 3m0w n ARG 49 N 0.16 -4.15 -2.45 1.68 1.74 -1.26 -4.97 116.66 107.42 3m0w n ARG 49 Ca -0.12 0.50 -0.30 0.00 -0.77 0.00 0.00 57.85 57.16 3m0w n ARG 49 Cb 0.58 -4.93 -0.02 0.00 -1.02 0.00 0.00 32.46 27.07 3m0w n ARG 49 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3m0w s THR 50 N -3.71 4.73 0.14 0.55 -4.23 -1.26 -5.05 115.64 106.80 3m0w s THR 50 Ca 0.15 0.75 -0.26 0.00 -1.18 0.00 0.00 61.69 61.16 3m0w s THR 50 Cb -0.08 -3.79 -0.07 0.00 1.34 0.00 0.00 72.50 69.90 3m0w s THR 50 CO 0.86 -0.79 0.80 1.51 -0.54 0.00 0.00 174.62 176.46 3m0w s ASP 51 N -3.58 7.37 0.52 3.99 -4.77 -1.26 -4.92 116.67 114.03 3m0w s ASP 51 Ca 0.53 1.63 0.36 0.00 -3.30 0.00 0.00 52.55 51.77 3m0w s ASP 51 Cb -0.10 -2.51 1.24 0.00 -1.09 0.00 0.00 42.92 40.46 3m0w s ASP 51 CO 0.40 0.13 1.30 1.21 0.70 0.00 0.00 175.17 178.91 3m0w n GLU 52 N 1.99 0.01 0.02 2.11 4.07 -1.26 0.55 120.64 128.13 3m0w n GLU 52 Ca -0.04 0.95 -0.18 0.00 -0.06 0.00 0.00 57.16 57.83 3m0w n GLU 52 Cb 0.49 -2.28 -0.11 0.00 -0.06 0.00 0.00 31.44 29.48 3m0w n GLU 52 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3m0w h ALA 53 N 0.71 0.08 -0.68 4.31 0.00 -1.99 -2.12 119.26 119.57 3m0w h ALA 53 Ca 0.67 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3m0w h ALA 53 Cb 3.09 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 20.89 3m0w h ALA 53 CO -0.01 0.44 0.42 0.00 0.00 0.00 0.00 179.25 180.10 3m0w h ALA 54 N 0.33 1.47 -0.51 0.00 0.00 -0.27 0.40 119.26 120.68 3m0w h ALA 54 Ca -0.09 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 3m0w h ALA 54 Cb 1.43 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3m0w h ALA 54 CO 0.14 0.47 0.14 0.74 0.00 0.00 0.00 179.25 180.74 3m0w h PHE 55 N 0.93 0.85 -0.57 0.00 0.04 -1.39 -2.17 116.94 114.63 3m0w h PHE 55 Ca 0.25 -0.10 -0.03 0.00 2.80 0.00 0.00 57.97 60.90 3m0w h PHE 55 Cb -0.06 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 37.82 3m0w h PHE 55 CO 0.00 0.74 0.26 0.37 -0.60 0.00 0.00 178.31 179.08 3m0w h GLN 56 N 0.71 0.84 -0.67 1.51 5.75 -0.62 0.27 115.11 122.89 3m0w h GLN 56 Ca 0.16 -0.13 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 3m0w h GLN 56 Cb 0.31 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.68 3m0w h GLN 56 CO -0.00 0.70 0.44 -0.22 -2.65 0.00 0.00 178.83 177.10 3m0w h LYS 57 N 0.78 0.87 0.11 1.69 1.63 -0.72 0.16 116.57 121.08 3m0w h LYS 57 Ca 0.19 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.94 3m0w h LYS 57 Cb 0.15 -0.20 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 3m0w h LYS 57 CO -0.02 0.57 -0.05 1.25 -3.45 0.00 0.00 179.45 177.75 3m0w h LEU 58 N 0.89 -0.12 -1.50 5.20 6.46 -0.76 -1.38 115.31 124.10 3m0w h LEU 58 Ca 0.25 -0.43 0.14 0.00 -0.12 0.00 0.00 57.88 57.72 3m0w h LEU 58 Cb -0.08 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.83 3m0w h LEU 58 CO -0.06 0.42 0.52 -0.03 -0.62 0.00 0.00 178.44 178.67 3m0w h MET 59 N -0.72 0.49 -0.13 1.25 4.05 -0.13 -0.89 114.93 118.84 3m0w h MET 59 Ca -0.01 -0.03 -0.12 0.00 -0.28 0.00 0.00 59.70 59.26 3m0w h MET 59 Cb 0.54 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.24 3m0w h MET 59 CO 0.02 0.32 -0.37 1.03 0.23 0.00 0.00 176.91 178.15 3m0w h SER 60 N 0.50 0.56 -0.42 1.39 0.87 -0.65 -2.15 113.55 113.65 3m0w h SER 60 Ca 0.38 -0.59 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 3m0w h SER 60 Cb 0.78 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 3m0w h SER 60 CO -0.14 1.05 0.24 0.78 -0.53 0.00 0.00 176.83 178.23 3m0w h ASN 61 N 0.09 0.54 0.80 6.23 2.35 -0.08 -3.01 115.58 122.51 3m0w h ASN 61 Ca -0.01 -0.04 -0.21 0.00 -0.55 0.00 0.00 56.30 55.49 3m0w h ASN 61 Cb 0.99 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 39.18 3m0w h ASN 61 CO 0.08 0.45 -1.31 -0.07 -1.65 0.00 0.00 177.43 174.93 3m0w h LEU 62 N 0.62 0.00 -5.97 1.61 3.38 -1.20 -3.39 115.31 110.36 3m0w h LEU 62 Ca 0.16 0.00 -0.72 0.00 0.09 0.00 0.00 57.88 57.41 3m0w h LEU 62 Cb 0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3m0w h LEU 62 CO -0.03 0.82 3.00 -0.67 0.09 0.00 0.00 178.44 181.65 3m0w n ASP 63 N -3.10 4.71 -0.14 -0.43 2.03 -0.81 -4.76 116.55 114.06 3m0w n ASP 63 Ca -0.09 -2.87 -0.03 0.00 0.52 0.00 0.00 54.79 52.33 3m0w n ASP 63 Cb 0.93 -1.61 0.20 0.00 -0.72 0.00 0.00 41.12 39.92 3m0w n ASP 63 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3m0w h SER 64 N 5.81 0.78 -0.14 1.67 4.64 -1.78 0.15 113.55 124.67 3m0w h SER 64 Ca 0.57 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 3m0w h SER 64 Cb 0.59 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3m0w h SER 64 CO 1.82 0.75 0.00 -0.46 -0.87 0.00 0.00 176.83 178.07 3m0w n ASN 65 N -4.29 0.80 -3.17 4.97 6.94 -1.26 -4.92 115.26 114.34 3m0w n ASN 65 Ca 0.04 -1.95 -0.21 0.00 -0.02 0.00 0.00 54.58 52.45 3m0w n ASN 65 Cb 0.21 -0.10 -0.00 0.00 -2.36 0.00 0.00 39.78 37.53 3m0w n ASN 65 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3m0w n ARG 66 N -0.09 -3.31 -0.50 -3.83 3.00 0.04 -4.86 116.66 107.12 3m0w n ARG 66 Ca 0.06 0.52 0.07 0.00 -0.01 0.00 0.00 57.85 58.49 3m0w n ARG 66 Cb 0.13 -5.22 0.28 0.00 0.00 0.00 0.00 32.46 27.66 3m0w n ARG 66 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3m0w n ASP 67 N -2.21 3.86 -0.44 0.55 3.85 -1.26 -4.90 116.55 116.00 3m0w n ASP 67 Ca -0.04 -2.40 -0.06 0.00 -0.71 0.00 0.00 54.79 51.58 3m0w n ASP 67 Cb 0.56 -0.52 -0.02 0.00 -1.35 0.00 0.00 41.12 39.78 3m0w n ASP 67 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3m0w n ASN 68 N 0.74 -4.56 -3.98 -1.12 5.15 -1.26 -5.01 115.26 105.22 3m0w n ASN 68 Ca 0.20 0.14 -0.08 0.00 -0.60 0.00 0.00 54.58 54.24 3m0w n ASN 68 Cb 0.75 -2.56 -0.09 0.00 -0.53 0.00 0.00 39.78 37.34 3m0w n ASN 68 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3m0w s GLU 69 N -2.03 0.63 -0.31 1.20 2.02 -1.26 -4.46 118.70 114.48 3m0w s GLU 69 Ca 0.00 -0.97 -0.10 0.00 0.02 0.00 0.00 54.97 53.92 3m0w s GLU 69 Cb 0.00 0.24 -0.01 0.00 0.10 0.00 0.00 34.13 34.45 3m0w s GLU 69 CO 0.00 -0.15 0.16 0.08 0.02 0.00 0.00 175.26 175.38 3m0w s VAL 70 N -3.31 4.71 0.78 2.63 1.01 0.25 -4.74 120.40 121.74 3m0w s VAL 70 Ca 0.01 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 3m0w s VAL 70 Cb 0.03 -3.40 0.15 0.00 0.00 0.00 0.00 36.38 33.17 3m0w s VAL 70 CO -0.08 0.07 1.08 1.51 0.00 0.00 0.00 175.10 177.67 3m0w s ASP 71 N 1.63 4.00 0.36 3.32 1.47 -1.26 -0.96 116.67 125.24 3m0w s ASP 71 Ca 0.05 -0.33 0.03 0.00 1.18 0.00 0.00 52.55 53.49 3m0w s ASP 71 Cb -0.17 0.07 0.69 0.00 -0.34 0.00 0.00 42.92 43.17 3m0w s ASP 71 CO 0.07 -2.11 2.01 0.15 0.68 0.00 0.00 175.17 175.97 3m0w h PHE 72 N -0.79 0.71 -0.22 2.11 3.57 -1.99 -0.19 116.94 120.15 3m0w h PHE 72 Ca -0.37 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.05 3m0w h PHE 72 Cb 1.26 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.75 3m0w h PHE 72 CO -0.46 0.46 -0.24 0.37 -2.23 0.00 0.00 178.31 176.21 3m0w h GLN 73 N 0.76 0.55 -0.04 1.11 4.15 -1.96 -0.28 115.11 119.40 3m0w h GLN 73 Ca 0.20 -0.30 -0.05 0.00 0.77 0.00 0.00 58.65 59.28 3m0w h GLN 73 Cb -0.06 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.63 3m0w h GLN 73 CO -0.04 0.89 -0.20 0.93 -1.93 0.00 0.00 178.83 178.48 3m0w h GLU 74 N 0.23 0.06 -0.17 1.69 5.08 -1.76 -2.30 114.58 117.41 3m0w h GLU 74 Ca 0.03 -0.01 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3m0w h GLU 74 Cb 0.80 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.05 3m0w h GLU 74 CO 0.06 0.26 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.16 3m0w h TYR 75 N 0.06 0.57 -0.87 4.33 3.20 -0.55 -1.89 116.97 121.82 3m0w h TYR 75 Ca 0.01 -0.19 0.10 0.00 3.14 0.00 0.00 58.73 61.79 3m0w h TYR 75 Cb 0.38 -0.11 -0.08 0.00 1.54 0.00 0.00 36.73 38.46 3m0w h TYR 75 CO 0.00 0.87 0.51 0.00 -1.64 0.00 0.00 178.16 177.90 3m0w h VAL 77 N 0.84 1.13 -0.45 0.00 2.07 -1.27 -0.02 116.25 118.55 3m0w h VAL 77 Ca 0.42 -0.35 0.07 0.00 0.82 0.00 0.00 66.70 67.66 3m0w h VAL 77 Cb 0.39 0.93 -0.06 0.00 -1.52 0.00 0.00 31.29 31.04 3m0w h VAL 77 CO -0.25 0.12 0.11 0.15 0.02 0.00 0.00 177.57 177.72 3m0w h PHE 78 N 0.25 0.18 -0.46 1.57 3.57 -0.66 -0.14 116.94 121.26 3m0w h PHE 78 Ca 0.08 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 3m0w h PHE 78 Cb 0.09 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3m0w h PHE 78 CO -0.03 0.03 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.79 3m0w h LEU 79 N 0.25 0.95 -0.90 0.59 3.38 -0.93 -1.56 115.31 117.08 3m0w h LEU 79 Ca 0.22 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.92 3m0w h LEU 79 Cb 0.26 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3m0w h LEU 79 CO -0.27 1.12 0.55 0.28 0.09 0.00 0.00 178.44 180.21 3m0w h SER 80 N 0.80 0.82 -0.15 -0.43 0.02 -0.60 0.30 113.55 114.32 3m0w h SER 80 Ca 0.11 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3m0w h SER 80 Cb 0.77 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 3m0w h SER 80 CO 0.06 0.49 0.08 0.00 -1.14 0.00 0.00 176.83 176.32 3m0w h ILE 82 N 0.15 1.07 -0.22 0.00 2.04 -0.57 -1.93 117.51 118.04 3m0w h ILE 82 Ca 0.05 -0.29 0.05 0.00 1.00 0.00 0.00 64.86 65.67 3m0w h ILE 82 Cb 0.06 0.14 -0.05 0.00 -0.74 0.00 0.00 36.82 36.24 3m0w h ILE 82 CO -0.01 0.16 -0.07 0.00 0.00 0.00 0.00 178.15 178.23 3m0w h ALA 83 N 1.32 0.13 -0.64 1.87 0.00 0.45 -1.14 119.26 121.24 3m0w h ALA 83 Ca 0.30 0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.43 3m0w h ALA 83 Cb 0.06 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 17.95 3m0w h ALA 83 CO -0.13 -0.49 0.03 0.52 0.00 0.00 0.00 179.25 179.18 3m0w h MET 84 N -0.03 0.14 -0.35 0.00 2.86 0.23 0.76 114.93 118.54 3m0w h MET 84 Ca 0.11 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3m0w h MET 84 Cb 0.19 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3m0w h MET 84 CO -0.24 0.09 0.22 0.52 1.06 0.00 0.00 176.91 178.56 3m0w h MET 85 N 0.14 0.48 -0.73 1.72 2.07 -0.89 -2.15 114.93 115.57 3m0w h MET 85 Ca 0.34 -0.04 0.01 0.00 -2.07 0.00 0.00 59.70 57.95 3m0w h MET 85 Cb 0.56 -0.10 -0.04 0.00 -1.87 0.00 0.00 31.60 30.15 3m0w h MET 85 CO -0.53 0.35 0.48 0.00 1.07 0.00 0.00 176.91 178.28 3m0w h ASN 87 N 0.96 0.00 -0.63 0.00 -1.24 -0.27 -1.87 115.58 112.53 3m0w h ASN 87 Ca 0.27 0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.30 3m0w h ASN 87 Cb -0.07 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 38.95 3m0w h ASN 87 CO -0.07 0.16 0.42 -0.33 -1.29 0.00 0.00 177.43 176.32 3m0w h GLU 88 N 0.00 0.78 -0.49 6.67 4.39 -0.92 -2.14 114.58 122.87 3m0w h GLU 88 Ca -0.00 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.69 3m0w h GLU 88 Cb 0.29 -0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 3m0w h GLU 88 CO 0.02 0.52 0.25 0.35 -1.16 0.00 0.00 179.01 178.99 3m0w h PHE 89 N 0.80 0.46 -0.13 4.33 3.57 -1.41 -1.23 116.94 123.33 3m0w h PHE 89 Ca 0.24 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.69 3m0w h PHE 89 Cb -0.02 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3m0w h PHE 89 CO -0.00 0.24 -0.25 0.74 -2.23 0.00 0.00 178.31 176.80 3m0w h PHE 90 N 0.50 0.26 -0.01 0.41 -1.00 -1.51 -1.88 116.94 113.71 3m0w h PHE 90 Ca 0.21 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.94 3m0w h PHE 90 Cb 0.11 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 39.60 3m0w h PHE 90 CO -0.10 0.48 0.00 0.39 -1.61 0.00 0.00 178.31 177.48 3m0w n GLU 91 N -4.16 1.06 -1.08 1.51 1.02 -0.65 -4.85 120.64 113.49 3m0w n GLU 91 Ca -0.01 -0.06 -0.03 0.00 -0.02 0.00 0.00 57.16 57.04 3m0w n GLU 91 Cb 0.36 -1.26 -0.01 0.00 -0.02 0.00 0.00 31.44 30.51 3m0w n GLU 91 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3m0w n GLY 92 N 0.27 0.33 3.53 0.62 0.00 -0.71 -3.27 105.19 105.97 3m0w n GLY 92 Ca 0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 3m0w n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3m0w n PHE 93 N -2.21 -2.22 0.00 1.61 3.72 -0.56 -5.01 117.46 112.79 3m0w n PHE 93 Ca -0.03 0.71 0.00 0.00 -0.05 0.00 0.00 57.45 58.08 3m0w n PHE 93 Cb 0.44 -3.51 0.00 0.00 -0.94 0.00 0.00 39.48 35.47 3m0w n PHE 93 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41