#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 6.12 0.48 -0.26 0.00 0.11 -2.05 -0.84 132.00 135.56 3m0w h PRO 4 Ca 0.13 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.04 3m0w h PRO 4 Cb 0.89 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3m0w h PRO 4 CO 0.47 0.32 -0.49 1.25 -0.21 0.00 0.00 178.00 179.34 3m0w h LEU 5 N 0.49 0.88 -0.55 2.35 5.85 -1.98 0.16 115.31 122.51 3m0w h LEU 5 Ca 0.53 -0.54 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 3m0w h LEU 5 Cb 1.20 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3m0w h LEU 5 CO -0.26 1.25 -0.27 -0.33 -0.34 0.00 0.00 178.44 178.50 3m0w h GLU 6 N 0.54 0.88 -0.84 1.25 5.08 -1.86 -1.40 114.58 118.24 3m0w h GLU 6 Ca 0.01 -0.39 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 3m0w h GLU 6 Cb 1.09 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 3m0w h GLU 6 CO 0.11 1.04 0.46 -0.22 -1.00 0.00 0.00 179.01 179.39 3m0w h LYS 7 N 0.75 1.17 -0.52 2.33 3.64 -0.95 -1.40 116.57 121.59 3m0w h LYS 7 Ca 0.09 -0.14 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3m0w h LYS 7 Cb 0.82 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 3m0w h LYS 7 CO 0.07 0.86 0.31 0.00 -2.27 0.00 0.00 179.45 178.42 3m0w h ALA 8 N 1.24 0.66 -0.87 5.00 0.00 -0.34 0.67 119.26 125.62 3m0w h ALA 8 Ca 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3m0w h ALA 8 Cb 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 3m0w h ALA 8 CO -0.05 0.02 0.54 -0.07 0.00 0.00 0.00 179.25 179.70 3m0w h LEU 9 N 0.62 1.04 -0.12 0.00 3.38 -0.93 -0.49 115.31 118.82 3m0w h LEU 9 Ca 0.21 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.14 3m0w h LEU 9 Cb 0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3m0w h LEU 9 CO -0.09 0.79 -0.02 -0.78 0.09 0.00 0.00 178.44 178.43 3m0w h ASP 10 N 1.20 -0.10 -0.84 -0.43 1.82 -0.52 -1.29 116.42 116.27 3m0w h ASP 10 Ca 0.32 0.03 0.04 0.00 -0.39 0.00 0.00 57.03 57.03 3m0w h ASP 10 Cb -0.07 0.07 -0.05 0.00 0.68 0.00 0.00 39.33 39.95 3m0w h ASP 10 CO -0.06 -0.03 0.53 0.58 -1.61 0.00 0.00 179.24 178.65 3m0w h VAL 11 N 0.01 1.09 -0.20 2.25 2.07 -0.43 0.18 116.25 121.22 3m0w h VAL 11 Ca 0.06 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3m0w h VAL 11 Cb 0.08 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 3m0w h VAL 11 CO -0.12 0.18 0.09 0.24 0.02 0.00 0.00 177.57 177.99 3m0w h MET 12 N 1.00 0.29 -0.15 1.57 2.86 -0.44 -0.93 114.93 119.13 3m0w h MET 12 Ca 0.35 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.90 3m0w h MET 12 Cb 0.07 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.68 3m0w h MET 12 CO -0.14 0.32 -0.09 0.28 1.06 0.00 0.00 176.91 178.34 3m0w h VAL 13 N 0.19 1.32 -0.40 -2.22 2.07 -1.05 -3.22 116.25 112.94 3m0w h VAL 13 Ca 0.07 -1.15 -0.08 0.00 0.82 0.00 0.00 66.70 66.36 3m0w h VAL 13 Cb 0.13 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3m0w h VAL 13 CO -0.01 0.34 -0.07 0.28 0.02 0.00 0.00 177.57 178.13 3m0w h SER 14 N -0.01 0.66 -0.72 0.57 0.02 -0.63 -3.07 113.55 110.37 3m0w h SER 14 Ca 0.03 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 3m0w h SER 14 Cb 0.57 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 3m0w h SER 14 CO 0.02 0.78 0.20 0.74 -1.14 0.00 0.00 176.83 177.43 3m0w h THR 15 N 0.63 1.26 -0.15 -2.27 2.02 -1.21 -1.45 112.91 111.74 3m0w h THR 15 Ca 0.12 -0.95 0.05 0.00 0.77 0.00 0.00 66.41 66.40 3m0w h THR 15 Cb 0.50 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3m0w h THR 15 CO 0.03 0.37 -0.20 0.15 0.37 0.00 0.00 175.52 176.24 3m0w h PHE 16 N 1.08 -0.51 0.00 3.16 3.57 -1.54 -2.76 116.94 119.94 3m0w h PHE 16 Ca 0.23 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3m0w h PHE 16 Cb 0.35 0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.33 3m0w h PHE 16 CO 0.03 -0.27 0.00 0.45 -2.23 0.00 0.00 178.31 176.28 3m0w h HIS 17 N -0.24 0.00 -0.07 0.41 3.86 -1.39 -0.93 115.15 116.79 3m0w h HIS 17 Ca 0.11 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 3m0w h HIS 17 Cb 0.40 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3m0w h HIS 17 CO -0.31 0.00 -0.13 -0.22 0.86 0.00 0.00 177.93 178.12 3m0w h LYS 18 N 0.00 0.10 0.00 2.45 3.64 -0.98 -3.22 116.57 118.56 3m0w h LYS 18 Ca 0.00 -0.02 -0.27 0.00 -1.27 0.00 0.00 60.65 59.09 3m0w h LYS 18 Cb 0.62 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.37 3m0w h LYS 18 CO 0.00 0.24 -2.02 0.66 -2.27 0.00 0.00 179.45 176.06 3m0w n TYR 19 N -4.33 0.00 -0.04 1.91 4.01 -0.87 -4.61 117.16 113.23 3m0w n TYR 19 Ca -0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.65 3m0w n TYR 19 Cb 0.23 -0.73 0.11 0.00 -0.31 0.00 0.00 39.34 38.65 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 0.68 -0.06 7.72 4.64 -1.28 -2.98 113.55 122.27 3m0w h SER 20 Ca -0.40 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 60.65 3m0w h SER 20 Cb 1.85 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 3m0w h SER 20 CO 0.00 0.94 0.00 0.61 -0.87 0.00 0.00 176.83 177.51 3m0w n GLY 21 N -0.15 -0.69 0.07 -0.77 0.00 -0.99 -4.09 105.19 98.57 3m0w n GLY 21 Ca -0.01 -0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 0.33 0.04 -4.82 1.61 1.57 -1.79 -3.46 116.57 110.05 3m0w h LYS 22 Ca 0.00 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.46 3m0w h LYS 22 Cb 0.09 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.26 3m0w h LYS 22 CO 0.00 0.78 -0.68 -1.21 -0.57 0.00 0.00 179.45 177.77 3m0w s GLU 23 N -3.22 1.03 4.75 3.15 2.02 -1.26 -5.10 118.70 120.07 3m0w s GLU 23 Ca -0.17 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 53.35 3m0w s GLU 23 Cb -0.00 -0.33 0.00 0.00 0.10 0.00 0.00 34.13 33.90 3m0w s GLU 23 CO 0.69 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.33 3m0w n GLY 24 N -0.18 2.34 3.68 -1.39 0.00 -1.26 -4.39 105.19 103.99 3m0w n GLY 24 Ca -0.09 -0.41 -0.47 0.00 0.00 0.00 0.00 46.02 45.05 3m0w n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3m0w n ASP 25 N -0.32 3.43 0.27 1.61 -0.08 -1.26 -4.86 116.55 115.34 3m0w n ASP 25 Ca 0.00 1.00 0.15 0.00 -1.51 0.00 0.00 54.79 54.43 3m0w n ASP 25 Cb 0.00 -1.41 0.74 0.00 2.34 0.00 0.00 41.12 42.79 3m0w n ASP 25 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3m0w h LYS 26 N 8.36 0.00 -0.34 -0.67 6.56 -1.77 -3.07 116.57 125.64 3m0w h LYS 26 Ca -0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 3m0w h LYS 26 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 3m0w h LYS 26 CO 0.93 0.08 0.00 1.19 -2.06 0.00 0.00 179.45 179.59 3m0w n PHE 27 N -3.32 1.21 -3.89 -1.35 3.72 -1.26 -2.34 117.46 110.23 3m0w n PHE 27 Ca -0.01 -0.83 -0.11 0.00 -0.05 0.00 0.00 57.45 56.46 3m0w n PHE 27 Cb 0.27 -0.35 -0.10 0.00 -0.94 0.00 0.00 39.48 38.36 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 -2.75 0.42 -0.27 -1.08 1.02 -1.16 -4.29 119.74 111.63 3m0w s LYS 28 Ca 0.45 -0.40 -0.14 0.00 0.02 0.00 0.00 55.97 55.90 3m0w s LYS 28 Cb 0.35 0.17 -0.04 0.00 -0.52 0.00 0.00 37.83 37.79 3m0w s LYS 28 CO 0.11 -0.09 0.33 -0.51 -0.92 0.00 0.00 175.35 174.27 3m0w s LEU 29 N -1.28 4.04 0.62 3.17 1.43 0.14 -4.63 118.68 122.15 3m0w s LEU 29 Ca -0.14 0.22 -0.05 0.00 -1.03 0.00 0.00 54.13 53.14 3m0w s LEU 29 Cb -0.08 -2.36 0.03 0.00 0.03 0.00 0.00 46.19 43.82 3m0w s LEU 29 CO 0.01 -0.15 0.91 0.54 0.23 0.00 0.00 176.35 177.89 3m0w s ASN 30 N 1.66 5.23 0.33 2.29 2.20 -1.26 -0.34 114.94 125.05 3m0w s ASN 30 Ca 0.13 0.45 0.12 0.00 -0.94 0.00 0.00 52.86 52.62 3m0w s ASN 30 Cb -0.16 -1.30 1.00 0.00 -2.00 0.00 0.00 41.25 38.79 3m0w s ASN 30 CO 0.10 -1.28 1.68 0.07 -2.94 0.00 0.00 177.10 174.73 3m0w h LYS 31 N -0.27 0.36 -0.13 3.55 5.09 -1.99 0.15 116.57 123.33 3m0w h LYS 31 Ca -0.44 -0.02 -0.09 0.00 0.09 0.00 0.00 60.65 60.18 3m0w h LYS 31 Cb 1.29 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 33.54 3m0w h LYS 31 CO 0.59 0.24 -0.27 1.03 -2.09 0.00 0.00 179.45 178.95 3m0w h SER 32 N 0.37 0.46 -0.48 7.07 0.87 -1.99 -1.62 113.55 118.24 3m0w h SER 32 Ca 0.69 -0.56 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 3m0w h SER 32 Cb 1.50 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 63.31 3m0w h SER 32 CO -0.58 0.94 0.03 -0.33 -0.53 0.00 0.00 176.83 176.36 3m0w h GLU 33 N 0.01 0.89 -0.27 2.24 5.08 -1.36 -1.65 114.58 119.52 3m0w h GLU 33 Ca 0.00 -0.24 -0.12 0.00 -1.00 0.00 0.00 59.36 58.01 3m0w h GLU 33 Cb 0.87 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 3m0w h GLU 33 CO 0.06 0.87 -0.32 1.25 -1.00 0.00 0.00 179.01 179.86 3m0w h LEU 34 N 0.83 0.60 -0.33 1.33 5.85 -0.80 -1.44 115.31 121.35 3m0w h LEU 34 Ca 0.16 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3m0w h LEU 34 Cb 0.45 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3m0w h LEU 34 CO 0.02 0.88 0.17 0.50 -0.34 0.00 0.00 178.44 179.67 3m0w h LYS 35 N 0.49 0.47 0.06 1.25 3.64 -0.83 -1.75 116.57 119.89 3m0w h LYS 35 Ca 0.06 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3m0w h LYS 35 Cb 0.80 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 3m0w h LYS 35 CO 0.07 0.41 -0.08 0.93 -2.27 0.00 0.00 179.45 178.50 3m0w h GLU 36 N 0.41 -0.16 -0.14 1.90 5.08 -0.97 -1.47 114.58 119.22 3m0w h GLU 36 Ca 0.11 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3m0w h GLU 36 Cb 0.08 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3m0w h GLU 36 CO -0.02 -0.11 0.04 1.25 -1.00 0.00 0.00 179.01 179.17 3m0w h LEU 37 N -0.17 0.03 -0.58 1.33 6.46 -1.18 0.58 115.31 121.78 3m0w h LEU 37 Ca 0.01 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 3m0w h LEU 37 Cb 0.18 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 3m0w h LEU 37 CO -0.04 0.04 0.34 -0.07 -0.62 0.00 0.00 178.44 178.09 3m0w h LEU 38 N 0.10 0.70 -0.17 2.25 3.38 -1.29 0.35 115.31 120.65 3m0w h LEU 38 Ca 0.06 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3m0w h LEU 38 Cb 0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3m0w h LEU 38 CO -0.07 0.57 0.00 0.74 0.09 0.00 0.00 178.44 179.77 3m0w h THR 39 N 0.78 1.25 0.01 0.22 2.02 -0.81 -1.35 112.91 115.03 3m0w h THR 39 Ca 0.21 -0.83 -0.25 0.00 0.77 0.00 0.00 66.41 66.31 3m0w h THR 39 Cb -0.00 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 3m0w h THR 39 CO -0.04 0.25 -1.29 0.03 0.37 0.00 0.00 175.52 174.85 3m0w h ARG 40 N 0.04 0.02 0.00 6.66 3.08 -0.83 -3.35 114.38 120.00 3m0w h ARG 40 Ca 0.05 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.93 3m0w h ARG 40 Cb 0.37 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 3m0w h ARG 40 CO 0.01 0.84 -1.74 0.39 -1.07 0.00 0.00 179.97 178.39 3m0w n GLU 41 N -3.25 1.35 -2.91 0.04 -0.58 0.12 -4.69 120.64 110.73 3m0w n GLU 41 Ca -0.07 -0.05 -0.21 0.00 -0.42 0.00 0.00 57.16 56.41 3m0w n GLU 41 Cb 0.99 -1.31 -0.02 0.00 -0.57 0.00 0.00 31.44 30.53 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 -2.25 2.72 0.29 -4.62 4.77 -0.51 -4.91 117.00 112.48 3m0w n LEU 42 Ca -0.13 -5.03 0.18 0.00 -0.03 0.00 0.00 56.01 50.99 3m0w n LEU 42 Cb 0.67 0.08 0.86 0.00 -2.33 0.00 0.00 43.42 42.70 3m0w n LEU 42 CO 0.27 2.18 1.05 1.55 -1.33 0.00 0.00 177.39 181.10 3m0w h PRO 43 N 2.93 0.00 0.00 3.23 0.13 -1.68 -2.13 132.00 134.48 3m0w h PRO 43 Ca 0.11 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.11 3m0w h PRO 43 Cb 0.85 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 3m0w h PRO 43 CO 0.66 0.04 -0.60 0.77 -0.23 0.00 0.00 178.00 178.64 3m0w h SER 44 N 0.00 0.00 -0.01 1.44 0.02 -1.91 -0.93 113.55 112.16 3m0w h SER 44 Ca -0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 3m0w h SER 44 Cb 0.31 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.85 3m0w h SER 44 CO 0.01 0.60 -0.41 0.15 -1.14 0.00 0.00 176.83 176.03 3m0w h PHE 45 N 0.00 0.44 0.00 3.45 3.57 -1.75 -3.40 116.94 119.25 3m0w h PHE 45 Ca -0.01 -0.23 -0.11 0.00 3.53 0.00 0.00 57.97 61.15 3m0w h PHE 45 Cb 1.14 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 3m0w h PHE 45 CO 0.00 1.03 -0.87 -0.07 -2.23 0.00 0.00 178.31 176.16 3m0w h LEU 46 N -0.27 0.00 -0.02 0.59 3.38 -1.58 -3.52 115.31 113.89 3m0w h LEU 46 Ca -0.05 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.69 3m0w h LEU 46 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 3m0w h LEU 46 CO 0.08 1.11 -0.04 0.61 0.09 0.00 0.00 178.44 180.29 3m0w n GLY 47 N 1.53 -2.64 3.76 0.83 0.00 -0.35 -4.88 105.19 103.44 3m0w n GLY 47 Ca -0.19 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.04 3.03 -1.16 1.61 -0.14 -1.26 -4.01 119.74 114.77 3m0w s LYS 48 Ca 0.00 1.71 0.00 0.00 -1.36 0.00 0.00 55.97 56.32 3m0w s LYS 48 Cb 0.00 -1.95 0.00 0.00 -1.68 0.00 0.00 37.83 34.20 3m0w s LYS 48 CO 0.00 -1.13 0.00 2.89 -0.76 0.00 0.00 175.35 176.35 3m0w n ARG 49 N -1.65 -1.65 -1.69 1.68 1.85 -1.26 -4.90 116.66 109.05 3m0w n ARG 49 Ca 0.13 0.65 -0.45 0.00 -1.00 0.00 0.00 57.85 57.18 3m0w n ARG 49 Cb 0.50 -5.02 -0.04 0.00 -1.05 0.00 0.00 32.46 26.86 3m0w n ARG 49 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 3m0w n THR 50 N -2.41 0.06 -1.75 8.89 -2.24 -1.26 -4.87 114.28 110.70 3m0w n THR 50 Ca -0.13 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 3m0w n THR 50 Cb 0.48 -1.68 -0.01 0.00 -2.10 0.00 0.00 70.33 67.01 3m0w n THR 50 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3m0w n ASP 51 N 3.51 3.72 -0.37 3.42 9.92 -1.26 -4.80 116.55 130.70 3m0w n ASP 51 Ca 0.16 1.18 0.36 0.00 -0.53 0.00 0.00 54.79 55.97 3m0w n ASP 51 Cb 0.31 -1.59 0.59 0.00 -0.64 0.00 0.00 41.12 39.79 3m0w n ASP 51 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 3m0w h GLU 52 N 3.97 0.00 -0.43 -1.24 4.39 -2.00 0.30 114.58 119.57 3m0w h GLU 52 Ca -0.48 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.14 3m0w h GLU 52 Cb 1.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 3m0w h GLU 52 CO 0.73 0.00 -0.05 0.00 -1.16 0.00 0.00 179.01 178.53 3m0w h ALA 53 N 0.76 0.59 -0.27 3.43 0.00 -1.99 -1.09 119.26 120.70 3m0w h ALA 53 Ca 0.63 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 3m0w h ALA 53 Cb 3.11 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 20.73 3m0w h ALA 53 CO -0.01 0.42 -0.10 0.00 0.00 0.00 0.00 179.25 179.56 3m0w h ALA 54 N 0.88 1.33 -0.35 0.00 0.00 -0.73 -1.49 119.26 118.89 3m0w h ALA 54 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3m0w h ALA 54 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3m0w h ALA 54 CO 0.03 0.45 0.10 0.74 0.00 0.00 0.00 179.25 180.58 3m0w h PHE 55 N 0.41 0.58 -0.83 0.00 0.04 -1.46 -2.15 116.94 113.52 3m0w h PHE 55 Ca 0.08 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3m0w h PHE 55 Cb 0.43 -0.17 -0.04 0.00 2.20 0.00 0.00 35.95 38.38 3m0w h PHE 55 CO 0.01 0.57 0.43 0.37 -0.60 0.00 0.00 178.31 179.09 3m0w h GLN 56 N 0.42 1.19 -0.54 1.51 5.75 -0.84 0.29 115.11 122.89 3m0w h GLN 56 Ca 0.11 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.38 3m0w h GLN 56 Cb 0.27 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.57 3m0w h GLN 56 CO -0.00 0.89 0.06 0.87 -2.65 0.00 0.00 178.83 178.00 3m0w h LYS 57 N 1.18 0.88 0.26 1.69 6.56 -1.20 -0.13 116.57 125.80 3m0w h LYS 57 Ca 0.29 -0.22 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 3m0w h LYS 57 Cb 0.08 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.63 3m0w h LYS 57 CO -0.04 0.84 -0.12 1.25 -2.06 0.00 0.00 179.45 179.32 3m0w h LEU 58 N 0.83 -0.29 -1.59 2.94 6.46 -0.84 -1.62 115.31 121.20 3m0w h LEU 58 Ca 0.17 -0.21 0.17 0.00 -0.12 0.00 0.00 57.88 57.89 3m0w h LEU 58 Cb 0.41 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 40.36 3m0w h LEU 58 CO 0.01 0.08 0.54 -0.03 -0.62 0.00 0.00 178.44 178.42 3m0w h MET 59 N -0.70 0.37 -0.10 1.25 4.05 -0.22 -0.63 114.93 118.94 3m0w h MET 59 Ca -0.04 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.29 3m0w h MET 59 Cb 0.48 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 3m0w h MET 59 CO 0.06 0.24 -0.22 1.03 0.23 0.00 0.00 176.91 178.25 3m0w h SER 60 N 0.38 0.37 -0.89 1.39 0.87 -0.93 -2.66 113.55 112.08 3m0w h SER 60 Ca 0.40 -0.57 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 3m0w h SER 60 Cb 1.00 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.81 3m0w h SER 60 CO -0.13 0.87 0.58 0.78 -0.53 0.00 0.00 176.83 178.40 3m0w h ASN 61 N -0.11 1.03 0.63 6.23 2.35 -0.13 -3.09 115.58 122.49 3m0w h ASN 61 Ca 0.00 -0.03 -0.25 0.00 -0.55 0.00 0.00 56.30 55.47 3m0w h ASN 61 Cb 0.82 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.93 3m0w h ASN 61 CO 0.05 0.75 -1.10 -0.07 -1.65 0.00 0.00 177.43 175.41 3m0w h LEU 62 N 1.21 0.35 -6.95 1.61 3.38 -1.37 -3.38 115.31 110.16 3m0w h LEU 62 Ca 0.32 -0.35 -0.70 0.00 0.09 0.00 0.00 57.88 57.25 3m0w h LEU 62 Cb -0.13 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.44 3m0w h LEU 62 CO -0.07 1.23 2.54 -0.67 0.09 0.00 0.00 178.44 181.56 3m0w n ASP 63 N -3.56 4.51 0.20 -0.43 2.03 -1.00 -4.76 116.55 113.53 3m0w n ASP 63 Ca -0.06 -2.90 0.06 0.00 0.52 0.00 0.00 54.79 52.40 3m0w n ASP 63 Cb 0.95 -1.68 0.38 0.00 -0.72 0.00 0.00 41.12 40.05 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 6.74 0.00 -0.30 1.67 4.64 -1.79 -2.31 113.55 122.20 3m0w h SER 64 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 3m0w h SER 64 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3m0w h SER 64 CO 1.64 0.35 0.00 -0.46 -0.87 0.00 0.00 176.83 177.49 3m0w n ASN 65 N -3.65 2.24 -3.64 4.97 6.94 -1.26 -4.97 115.26 115.90 3m0w n ASN 65 Ca -0.01 -1.86 -0.27 0.00 -0.02 0.00 0.00 54.58 52.43 3m0w n ASN 65 Cb 0.46 -0.19 0.04 0.00 -2.36 0.00 0.00 39.78 37.73 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 0.71 -5.97 -0.40 -3.83 3.00 -0.87 -4.86 116.66 104.43 3m0w n ARG 66 Ca 0.16 0.70 0.12 0.00 -0.01 0.00 0.00 57.85 58.82 3m0w n ARG 66 Cb 0.40 -5.62 0.33 0.00 0.00 0.00 0.00 32.46 27.57 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 -2.79 4.07 0.00 0.55 5.75 -1.26 -4.94 116.55 117.93 3m0w n ASP 67 Ca 0.01 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.74 3m0w n ASP 67 Cb 0.55 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 3m0w n ASP 67 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3m0w n ASN 68 N 1.63 -2.20 -4.06 -1.12 5.15 -1.26 -5.00 115.26 108.40 3m0w n ASN 68 Ca 0.25 0.00 -0.08 0.00 -0.60 0.00 0.00 54.58 54.15 3m0w n ASN 68 Cb 0.66 -0.60 -0.09 0.00 -0.53 0.00 0.00 39.78 39.22 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 -0.15 0.82 -0.31 1.20 2.02 -1.26 -4.52 118.70 116.49 3m0w s GLU 69 Ca 0.00 -1.25 -0.08 0.00 0.02 0.00 0.00 54.97 53.66 3m0w s GLU 69 Cb 0.00 0.26 0.01 0.00 0.10 0.00 0.00 34.13 34.50 3m0w s GLU 69 CO 0.00 -0.22 0.12 0.08 0.02 0.00 0.00 175.26 175.25 3m0w s VAL 70 N -3.96 4.19 0.79 2.63 1.01 0.54 -4.74 120.40 120.86 3m0w s VAL 70 Ca 0.14 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.38 3m0w s VAL 70 Cb 0.07 -3.20 0.15 0.00 0.00 0.00 0.00 36.38 33.40 3m0w s VAL 70 CO -0.05 0.00 1.08 1.51 0.00 0.00 0.00 175.10 177.65 3m0w s ASP 71 N 1.52 3.97 0.38 3.32 1.47 -1.26 0.23 116.67 126.31 3m0w s ASP 71 Ca 0.03 -0.30 0.10 0.00 1.18 0.00 0.00 52.55 53.56 3m0w s ASP 71 Cb -0.18 0.05 0.77 0.00 -0.34 0.00 0.00 42.92 43.23 3m0w s ASP 71 CO 0.04 -2.13 1.90 0.15 0.68 0.00 0.00 175.17 175.81 3m0w h PHE 72 N -0.82 0.23 -0.31 2.11 3.57 -2.00 -1.18 116.94 118.53 3m0w h PHE 72 Ca -0.37 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 60.94 3m0w h PHE 72 Cb 1.25 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.93 3m0w h PHE 72 CO -0.49 0.37 -0.42 0.37 -2.23 0.00 0.00 178.31 175.92 3m0w h GLN 73 N 0.20 0.84 -0.28 1.11 4.15 -1.96 -1.48 115.11 117.70 3m0w h GLN 73 Ca 0.04 -0.48 -0.09 0.00 0.77 0.00 0.00 58.65 58.88 3m0w h GLN 73 Cb 0.41 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.12 3m0w h GLN 73 CO 0.03 1.12 -0.22 0.93 -1.93 0.00 0.00 178.83 178.75 3m0w h GLU 74 N 0.62 0.52 -0.63 1.69 5.08 -1.79 -2.64 114.58 117.42 3m0w h GLU 74 Ca 0.04 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 3m0w h GLU 74 Cb 1.02 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 3m0w h GLU 74 CO 0.10 0.71 0.25 -0.92 -1.00 0.00 0.00 179.01 178.14 3m0w h TYR 75 N 0.46 0.96 -0.34 4.33 3.20 -0.94 -1.73 116.97 122.91 3m0w h TYR 75 Ca 0.07 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 3m0w h TYR 75 Cb 0.64 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 3m0w h TYR 75 CO 0.02 0.76 0.17 0.00 -1.64 0.00 0.00 178.16 177.47 3m0w h VAL 77 N 0.42 0.79 -0.39 0.00 2.07 -1.33 0.22 116.25 118.03 3m0w h VAL 77 Ca 0.12 -0.04 0.07 0.00 0.82 0.00 0.00 66.70 67.67 3m0w h VAL 77 Cb 0.11 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.50 3m0w h VAL 77 CO -0.02 0.02 0.04 0.15 0.02 0.00 0.00 177.57 177.79 3m0w h PHE 78 N 0.10 0.06 -0.53 1.57 3.57 -0.98 -0.05 116.94 120.68 3m0w h PHE 78 Ca 0.15 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 3m0w h PHE 78 Cb 0.19 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3m0w h PHE 78 CO -0.22 -0.03 0.21 -0.07 -2.23 0.00 0.00 178.31 175.97 3m0w h LEU 79 N 0.16 0.73 -0.84 0.59 3.38 -0.29 -1.96 115.31 117.07 3m0w h LEU 79 Ca 0.19 -0.17 0.14 0.00 0.09 0.00 0.00 57.88 58.13 3m0w h LEU 79 Cb 0.25 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.72 3m0w h LEU 79 CO -0.28 0.70 0.44 0.28 0.09 0.00 0.00 178.44 179.66 3m0w h SER 80 N 0.71 0.54 -0.45 -0.43 0.02 -0.18 0.13 113.55 113.90 3m0w h SER 80 Ca 0.18 0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3m0w h SER 80 Cb 0.20 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 3m0w h SER 80 CO -0.01 0.24 0.25 0.00 -1.14 0.00 0.00 176.83 176.17 3m0w h ILE 82 N 0.59 1.10 -0.58 0.00 2.04 -0.57 -2.43 117.51 117.66 3m0w h ILE 82 Ca 0.16 -0.27 0.12 0.00 1.00 0.00 0.00 64.86 65.87 3m0w h ILE 82 Cb 0.04 1.11 -0.10 0.00 -0.74 0.00 0.00 36.82 37.13 3m0w h ILE 82 CO -0.03 0.08 -0.08 0.00 0.00 0.00 0.00 178.15 178.13 3m0w h ALA 83 N 0.94 0.47 -0.75 1.87 0.00 -0.38 -0.50 119.26 120.91 3m0w h ALA 83 Ca 0.03 0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.30 3m0w h ALA 83 Cb 0.09 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 18.16 3m0w h ALA 83 CO -0.00 -0.42 0.24 0.52 0.00 0.00 0.00 179.25 179.58 3m0w h MET 84 N 0.05 0.33 -0.32 0.00 2.86 -0.22 0.76 114.93 118.39 3m0w h MET 84 Ca 0.29 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.87 3m0w h MET 84 Cb 0.46 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.03 3m0w h MET 84 CO -0.55 0.22 0.03 0.52 1.06 0.00 0.00 176.91 178.18 3m0w h MET 85 N 0.34 0.54 -0.94 1.72 2.07 -0.64 -2.50 114.93 115.52 3m0w h MET 85 Ca 0.43 -0.16 0.04 0.00 -2.07 0.00 0.00 59.70 57.94 3m0w h MET 85 Cb 0.71 -0.06 -0.05 0.00 -1.87 0.00 0.00 31.60 30.33 3m0w h MET 85 CO -0.48 0.66 0.62 0.00 1.07 0.00 0.00 176.91 178.77 3m0w h ASN 87 N 1.18 0.42 -0.67 0.00 -1.24 -0.46 -1.52 115.58 113.28 3m0w h ASN 87 Ca 0.37 -0.05 0.12 0.00 0.71 0.00 0.00 56.30 57.45 3m0w h ASN 87 Cb 0.02 -0.11 -0.04 0.00 0.73 0.00 0.00 38.32 38.92 3m0w h ASN 87 CO -0.12 0.43 0.45 -0.33 -1.29 0.00 0.00 177.43 176.57 3m0w h GLU 88 N 0.45 0.41 -1.00 6.67 5.08 -1.05 -0.88 114.58 124.27 3m0w h GLU 88 Ca 0.11 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3m0w h GLU 88 Cb 0.18 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 3m0w h GLU 88 CO -0.00 0.27 0.65 0.35 -1.00 0.00 0.00 179.01 179.28 3m0w h PHE 89 N 0.43 1.22 0.14 4.33 3.57 -1.35 -3.04 116.94 122.24 3m0w h PHE 89 Ca 0.32 0.03 -0.24 0.00 3.53 0.00 0.00 57.97 61.60 3m0w h PHE 89 Cb 0.65 -0.40 0.03 0.00 2.79 0.00 0.00 35.95 39.01 3m0w h PHE 89 CO -0.00 0.68 -1.03 0.74 -2.23 0.00 0.00 178.31 176.47 3m0w h PHE 90 N 1.24 0.77 0.00 0.41 -1.00 -1.30 -3.53 116.94 113.53 3m0w h PHE 90 Ca 0.41 -0.52 0.00 0.00 2.81 0.00 0.00 57.97 60.67 3m0w h PHE 90 Cb 0.05 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3m0w h PHE 90 CO -0.00 1.38 0.00 0.39 -1.61 0.00 0.00 178.31 178.47