#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 0.00 0.47 -0.24 0.00 0.11 -2.05 -0.60 132.00 129.68 3m0w h PRO 4 Ca 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.06 3m0w h PRO 4 Cb 0.00 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 30.99 3m0w h PRO 4 CO 0.00 0.31 0.06 1.25 -0.21 0.00 0.00 178.00 179.41 3m0w h LEU 5 N 0.48 0.37 -0.93 2.35 5.85 -2.05 0.19 115.31 121.57 3m0w h LEU 5 Ca 0.48 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 3m0w h LEU 5 Cb 0.79 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3m0w h LEU 5 CO -0.44 0.51 0.39 -0.33 -0.34 0.00 0.00 178.44 178.23 3m0w h GLU 6 N 0.22 1.16 0.00 1.25 5.08 -1.87 -1.26 114.58 119.15 3m0w h GLU 6 Ca 0.08 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3m0w h GLU 6 Cb 0.28 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3m0w h GLU 6 CO 0.00 0.89 -0.34 -0.22 -1.00 0.00 0.00 179.01 178.34 3m0w h LYS 7 N 1.15 0.00 -0.29 2.33 3.64 -0.73 -1.72 116.57 120.95 3m0w h LYS 7 Ca 0.28 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.54 3m0w h LYS 7 Cb 0.11 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3m0w h LYS 7 CO -0.04 0.34 -0.27 0.00 -2.27 0.00 0.00 179.45 177.21 3m0w h ALA 8 N 1.66 0.42 -0.52 5.00 0.00 0.47 -0.65 119.26 125.64 3m0w h ALA 8 Ca -0.00 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.52 3m0w h ALA 8 Cb 0.66 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3m0w h ALA 8 CO 0.04 0.43 0.34 -0.07 0.00 0.00 0.00 179.25 179.99 3m0w h LEU 9 N 0.44 0.58 -0.50 0.00 3.38 -1.09 -1.08 115.31 117.05 3m0w h LEU 9 Ca 0.05 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.08 3m0w h LEU 9 Cb 0.84 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.38 3m0w h LEU 9 CO 0.07 0.42 0.15 -0.78 0.09 0.00 0.00 178.44 178.39 3m0w h ASP 10 N 0.69 0.11 -0.68 -0.43 3.58 -1.02 -1.28 116.42 117.40 3m0w h ASP 10 Ca 0.19 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.65 3m0w h ASP 10 Cb -0.06 0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 3m0w h ASP 10 CO -0.05 0.09 0.20 0.58 -2.88 0.00 0.00 179.24 177.18 3m0w h VAL 11 N 0.31 1.26 -0.33 2.25 2.07 -0.63 -0.23 116.25 120.94 3m0w h VAL 11 Ca 0.24 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 3m0w h VAL 11 Cb 0.29 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3m0w h VAL 11 CO -0.27 0.35 0.15 0.24 0.02 0.00 0.00 177.57 178.06 3m0w h MET 12 N 1.04 0.48 -0.12 1.57 2.86 -0.53 -1.22 114.93 119.01 3m0w h MET 12 Ca 0.22 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.63 3m0w h MET 12 Cb 0.32 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.91 3m0w h MET 12 CO -0.00 0.45 -0.52 0.28 1.06 0.00 0.00 176.91 178.18 3m0w h VAL 13 N 0.39 1.35 -0.52 -2.22 2.07 -1.07 -3.19 116.25 113.06 3m0w h VAL 13 Ca 0.11 -1.82 -0.12 0.00 0.82 0.00 0.00 66.70 65.69 3m0w h VAL 13 Cb 0.14 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.02 3m0w h VAL 13 CO -0.01 0.55 -0.14 0.28 0.02 0.00 0.00 177.57 178.27 3m0w h SER 14 N 0.19 1.02 -0.63 0.57 0.02 -1.04 -3.07 113.55 110.61 3m0w h SER 14 Ca -0.03 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 60.61 3m0w h SER 14 Cb 1.16 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 63.38 3m0w h SER 14 CO 0.11 1.14 0.37 0.74 -1.14 0.00 0.00 176.83 178.05 3m0w h THR 15 N 0.89 1.03 -0.42 -2.27 2.02 -1.28 -0.64 112.91 112.23 3m0w h THR 15 Ca 0.13 -0.24 0.07 0.00 0.77 0.00 0.00 66.41 67.14 3m0w h THR 15 Cb 0.71 0.26 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 3m0w h THR 15 CO 0.05 0.13 0.03 0.15 0.37 0.00 0.00 175.52 176.25 3m0w h PHE 16 N 0.71 0.02 0.00 3.16 3.57 -1.52 -2.42 116.94 120.46 3m0w h PHE 16 Ca 0.27 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 3m0w h PHE 16 Cb 0.09 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3m0w h PHE 16 CO -0.07 -0.06 -0.19 0.45 -2.23 0.00 0.00 178.31 176.22 3m0w h HIS 17 N 0.14 0.00 0.00 0.41 3.86 -1.37 -0.86 115.15 117.33 3m0w h HIS 17 Ca 0.21 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 3m0w h HIS 17 Cb 0.29 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.76 3m0w h HIS 17 CO -0.25 0.19 -0.05 -0.22 0.86 0.00 0.00 177.93 178.46 3m0w h LYS 18 N 0.00 0.00 0.00 2.45 3.64 -0.62 -3.15 116.57 118.89 3m0w h LYS 18 Ca -0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 3m0w h LYS 18 Cb 0.87 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 3m0w h LYS 18 CO 0.02 0.05 -1.65 0.66 -2.27 0.00 0.00 179.45 176.26 3m0w n TYR 19 N -4.33 0.00 0.15 1.91 4.01 -1.03 -4.59 117.16 113.28 3m0w n TYR 19 Ca -0.03 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3m0w n TYR 19 Cb 0.13 -0.47 0.25 0.00 -0.31 0.00 0.00 39.34 38.94 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 0.04 -0.21 7.72 4.64 -1.23 -3.09 113.55 121.42 3m0w h SER 20 Ca -0.26 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3m0w h SER 20 Cb 1.58 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 3m0w h SER 20 CO 0.01 0.54 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 3m0w n GLY 21 N -0.08 0.17 0.09 -0.77 0.00 -1.07 -4.21 105.19 99.33 3m0w n GLY 21 Ca -0.02 -0.33 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 1.71 -0.09 -4.88 1.61 1.57 -1.80 -3.47 116.57 111.22 3m0w h LYS 22 Ca 0.00 0.01 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 3m0w h LYS 22 Cb 0.38 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.57 3m0w h LYS 22 CO 0.00 0.43 -0.68 -1.21 -0.57 0.00 0.00 179.45 177.42 3m0w s GLU 23 N -3.73 1.10 3.98 3.15 2.02 -1.26 -5.10 118.70 118.86 3m0w s GLU 23 Ca -0.15 -1.51 0.00 0.00 0.02 0.00 0.00 54.97 53.33 3m0w s GLU 23 Cb 0.01 -0.39 0.00 0.00 0.10 0.00 0.00 34.13 33.84 3m0w s GLU 23 CO 0.60 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.23 3m0w n GLY 24 N -0.23 2.41 3.68 -1.39 0.00 -1.26 -4.41 105.19 103.99 3m0w n GLY 24 Ca -0.08 -0.33 -0.46 0.00 0.00 0.00 0.00 46.02 45.15 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 0.02 3.51 0.27 1.61 -0.08 -1.26 -4.85 116.55 115.76 3m0w n ASP 25 Ca 0.00 1.02 0.16 0.00 -1.51 0.00 0.00 54.79 54.46 3m0w n ASP 25 Cb 0.00 -1.45 0.60 0.00 2.34 0.00 0.00 41.12 42.61 3m0w n ASP 25 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 3m0w h LYS 26 N 7.79 0.00 -0.31 -0.67 5.09 -1.77 -3.14 116.57 123.55 3m0w h LYS 26 Ca -0.46 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 60.21 3m0w h LYS 26 Cb 1.25 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.54 3m0w h LYS 26 CO 0.93 0.03 0.00 1.19 -2.09 0.00 0.00 179.45 179.51 3m0w n PHE 27 N -3.13 1.06 -3.78 0.07 3.72 -1.26 -2.59 117.46 111.56 3m0w n PHE 27 Ca 0.01 -1.10 -0.13 0.00 -0.05 0.00 0.00 57.45 56.18 3m0w n PHE 27 Cb 0.34 -0.38 -0.10 0.00 -0.94 0.00 0.00 39.48 38.40 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 -2.96 0.45 -0.27 -1.08 -0.14 -1.19 -4.30 119.74 110.25 3m0w s LYS 28 Ca 0.43 0.17 -0.17 0.00 -1.36 0.00 0.00 55.97 55.04 3m0w s LYS 28 Cb 0.36 0.21 -0.03 0.00 -1.68 0.00 0.00 37.83 36.69 3m0w s LYS 28 CO 0.07 -0.09 0.49 -0.51 -0.76 0.00 0.00 175.35 174.55 3m0w s LEU 29 N -0.40 4.08 0.72 3.17 1.02 0.44 -4.71 118.68 122.99 3m0w s LEU 29 Ca -0.05 0.42 -0.07 0.00 0.02 0.00 0.00 54.13 54.45 3m0w s LEU 29 Cb -0.03 -2.61 0.07 0.00 0.02 0.00 0.00 46.19 43.63 3m0w s LEU 29 CO 0.02 -0.29 1.03 0.54 0.02 0.00 0.00 176.35 177.67 3m0w s ASN 30 N 1.59 4.75 0.26 2.29 2.20 -1.26 -0.39 114.94 124.37 3m0w s ASN 30 Ca 0.20 0.45 -0.04 0.00 -0.94 0.00 0.00 52.86 52.53 3m0w s ASN 30 Cb -0.16 -1.07 0.51 0.00 -2.00 0.00 0.00 41.25 38.54 3m0w s ASN 30 CO 0.10 -1.64 1.65 0.11 -2.94 0.00 0.00 177.10 174.37 3m0w h LYS 31 N -0.64 0.17 -0.17 3.55 1.57 -1.98 0.15 116.57 119.21 3m0w h LYS 31 Ca -0.44 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 3m0w h LYS 31 Cb 1.31 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3m0w h LYS 31 CO 0.60 0.11 0.05 1.03 -0.57 0.00 0.00 179.45 180.67 3m0w h SER 32 N 0.17 0.24 -0.57 0.86 0.87 -1.99 -0.94 113.55 112.20 3m0w h SER 32 Ca 0.45 -0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.71 3m0w h SER 32 Cb 0.82 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 3m0w h SER 32 CO -0.62 0.38 -0.04 -0.33 -0.53 0.00 0.00 176.83 175.68 3m0w h GLU 33 N 0.09 1.05 -0.70 2.24 5.08 -1.61 -1.98 114.58 118.75 3m0w h GLU 33 Ca 0.05 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3m0w h GLU 33 Cb 0.22 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 3m0w h GLU 33 CO -0.00 1.04 0.46 1.25 -1.00 0.00 0.00 179.01 180.77 3m0w h LEU 34 N 0.94 0.80 -0.44 1.33 5.85 -0.63 -1.34 115.31 121.82 3m0w h LEU 34 Ca 0.16 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.93 3m0w h LEU 34 Cb 0.60 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3m0w h LEU 34 CO 0.04 0.58 0.12 0.50 -0.34 0.00 0.00 178.44 179.33 3m0w h LYS 35 N 0.95 0.25 0.32 1.25 3.64 -0.79 -0.80 116.57 121.40 3m0w h LYS 35 Ca 0.26 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 3m0w h LYS 35 Cb -0.10 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 3m0w h LYS 35 CO -0.06 0.17 -0.15 0.93 -2.27 0.00 0.00 179.45 178.06 3m0w h GLU 36 N 0.26 -0.41 -0.17 1.90 5.08 -0.83 -1.43 114.58 118.98 3m0w h GLU 36 Ca 0.21 0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.64 3m0w h GLU 36 Cb 0.24 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.54 3m0w h GLU 36 CO -0.25 -0.27 -0.12 1.25 -1.00 0.00 0.00 179.01 178.62 3m0w h LEU 37 N -0.43 -0.39 -0.57 1.33 6.46 -0.97 0.17 115.31 120.91 3m0w h LEU 37 Ca -0.04 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.80 3m0w h LEU 37 Cb 0.33 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 3m0w h LEU 37 CO 0.07 -0.16 0.37 -0.07 -0.62 0.00 0.00 178.44 178.04 3m0w h LEU 38 N -0.12 0.66 -0.16 2.25 3.38 -1.13 0.31 115.31 120.49 3m0w h LEU 38 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3m0w h LEU 38 Cb 0.27 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3m0w h LEU 38 CO -0.24 0.48 0.03 0.74 0.09 0.00 0.00 178.44 179.54 3m0w h THR 39 N 0.77 1.22 0.00 0.22 2.02 -0.63 -1.40 112.91 115.10 3m0w h THR 39 Ca 0.21 -0.69 -0.23 0.00 0.77 0.00 0.00 66.41 66.47 3m0w h THR 39 Cb -0.08 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3m0w h THR 39 CO -0.04 0.21 -1.28 0.03 0.37 0.00 0.00 175.52 174.80 3m0w h ARG 40 N 0.06 0.00 0.00 6.66 3.08 -0.60 -3.36 114.38 120.22 3m0w h ARG 40 Ca 0.05 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.03 3m0w h ARG 40 Cb 0.29 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3m0w h ARG 40 CO 0.00 0.65 -1.57 0.39 -1.07 0.00 0.00 179.97 178.38 3m0w n GLU 41 N -3.15 1.11 -2.62 0.04 -0.58 0.11 -4.71 120.64 110.83 3m0w n GLU 41 Ca -0.08 -0.06 -0.15 0.00 -0.42 0.00 0.00 57.16 56.45 3m0w n GLU 41 Cb 0.95 -1.26 0.02 0.00 -0.57 0.00 0.00 31.44 30.58 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 -2.06 2.49 0.29 -4.62 4.77 -0.54 -4.92 117.00 112.40 3m0w n LEU 42 Ca -0.07 -4.23 0.13 0.00 -0.03 0.00 0.00 56.01 51.81 3m0w n LEU 42 Cb 0.49 0.15 0.85 0.00 -2.33 0.00 0.00 43.42 42.58 3m0w n LEU 42 CO 0.22 1.79 1.11 1.55 -1.33 0.00 0.00 177.39 180.74 3m0w h PRO 43 N 2.87 0.00 -0.16 3.23 0.13 -1.68 -1.89 132.00 134.50 3m0w h PRO 43 Ca 0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.03 3m0w h PRO 43 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3m0w h PRO 43 CO 0.61 0.00 -0.45 0.77 -0.23 0.00 0.00 178.00 178.71 3m0w h SER 44 N 0.00 0.43 -0.03 1.44 0.02 -1.89 -3.09 113.55 110.42 3m0w h SER 44 Ca -0.00 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3m0w h SER 44 Cb 0.01 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3m0w h SER 44 CO 0.00 0.82 -0.03 0.15 -1.14 0.00 0.00 176.83 176.63 3m0w h PHE 45 N 0.32 0.09 0.00 3.45 3.57 -1.71 -2.95 116.94 119.71 3m0w h PHE 45 Ca 0.02 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3m0w h PHE 45 Cb 0.92 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.64 3m0w h PHE 45 CO 0.03 0.56 0.00 -0.11 -2.23 0.00 0.00 178.31 176.55 3m0w n LEU 46 N -4.79 0.00 0.00 0.59 7.94 -1.16 -5.19 117.00 114.39 3m0w n LEU 46 Ca -0.08 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.82 3m0w n LEU 46 Cb 0.28 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.23 3m0w n LEU 46 CO 0.35 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.24 3m0w n GLY 47 N -0.07 0.00 3.35 -3.96 0.00 -1.12 -5.10 105.19 98.29 3m0w n GLY 47 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 3m0w n GLY 47 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3m0w s ASP 51 N 0.00 -0.17 0.40 1.61 2.15 -1.26 -4.88 116.67 114.52 3m0w s ASP 51 Ca 0.00 -0.45 0.14 0.00 0.43 0.00 0.00 52.55 52.67 3m0w s ASP 51 Cb 0.00 0.48 0.99 0.00 -0.30 0.00 0.00 42.92 44.09 3m0w s ASP 51 CO 0.00 -0.89 1.87 -0.33 -0.17 0.00 0.00 175.17 175.65 3m0w h GLU 52 N 2.39 0.49 -0.26 4.34 3.07 -2.05 -0.24 114.58 122.32 3m0w h GLU 52 Ca -0.33 -0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.43 3m0w h GLU 52 Cb 1.25 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 3m0w h GLU 52 CO 0.46 0.32 -0.15 0.00 -1.40 0.00 0.00 179.01 178.25 3m0w h ALA 53 N 1.62 0.36 -0.18 3.43 0.00 -2.05 -1.50 119.26 120.93 3m0w h ALA 53 Ca 0.45 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3m0w h ALA 53 Cb 0.98 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3m0w h ALA 53 CO -0.19 0.25 -0.14 0.00 0.00 0.00 0.00 179.25 179.18 3m0w h ALA 54 N 0.72 1.43 -0.46 0.00 0.00 -1.55 -0.75 119.26 118.64 3m0w h ALA 54 Ca 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3m0w h ALA 54 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3m0w h ALA 54 CO 0.04 0.39 0.11 0.74 0.00 0.00 0.00 179.25 180.54 3m0w h PHE 55 N 0.28 0.78 -0.66 0.00 0.05 -0.99 -2.11 116.94 114.29 3m0w h PHE 55 Ca 0.05 -0.09 -0.08 0.00 3.82 0.00 0.00 57.97 61.67 3m0w h PHE 55 Cb 0.42 -0.22 -0.03 0.00 2.00 0.00 0.00 35.95 38.12 3m0w h PHE 55 CO 0.01 0.71 0.10 0.37 -0.18 0.00 0.00 178.31 179.32 3m0w h GLN 56 N 0.62 1.09 -0.35 1.51 5.75 -0.67 0.26 115.11 123.32 3m0w h GLN 56 Ca 0.15 -0.29 -0.06 0.00 -0.15 0.00 0.00 58.65 58.29 3m0w h GLN 56 Cb 0.32 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.73 3m0w h GLN 56 CO 0.00 1.00 -0.03 0.87 -2.65 0.00 0.00 178.83 178.02 3m0w h LYS 57 N 1.02 0.56 -0.04 1.69 6.56 -1.08 -0.13 116.57 125.15 3m0w h LYS 57 Ca 0.20 -0.13 -0.05 0.00 -1.06 0.00 0.00 60.65 59.60 3m0w h LYS 57 Cb 0.45 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 3m0w h LYS 57 CO 0.01 0.61 -0.18 -0.07 -2.06 0.00 0.00 179.45 177.76 3m0w h LEU 58 N 0.53 0.22 -1.39 2.94 4.07 -0.85 -2.23 115.31 118.61 3m0w h LEU 58 Ca 0.11 -0.65 0.06 0.00 0.08 0.00 0.00 57.88 57.48 3m0w h LEU 58 Cb 0.39 -0.07 -0.04 0.00 1.08 0.00 0.00 40.66 42.02 3m0w h LEU 58 CO 0.02 0.84 0.47 -0.03 -1.08 0.00 0.00 178.44 178.66 3m0w h MET 59 N -0.38 0.72 -0.26 1.13 -1.53 -0.35 -1.05 114.93 113.22 3m0w h MET 59 Ca -0.01 -0.04 -0.09 0.00 -3.44 0.00 0.00 59.70 56.12 3m0w h MET 59 Cb 0.83 -0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.71 3m0w h MET 59 CO 0.04 0.48 -0.18 1.03 0.14 0.00 0.00 176.91 178.42 3m0w h SER 60 N 0.74 0.60 -0.67 1.39 0.87 -1.03 -2.54 113.55 112.91 3m0w h SER 60 Ca 0.31 -0.44 -0.03 0.00 -1.23 0.00 0.00 61.79 60.40 3m0w h SER 60 Cb 0.26 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.02 3m0w h SER 60 CO -0.10 0.91 0.30 0.78 -0.53 0.00 0.00 176.83 178.18 3m0w h ASN 61 N 0.29 0.91 0.21 6.23 2.35 -0.68 -3.15 115.58 121.74 3m0w h ASN 61 Ca 0.05 -0.15 -0.20 0.00 -0.55 0.00 0.00 56.30 55.45 3m0w h ASN 61 Cb 0.71 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 3m0w h ASN 61 CO 0.05 0.81 -0.79 -0.07 -1.65 0.00 0.00 177.43 175.78 3m0w h LEU 62 N 0.95 0.57 -7.25 1.61 3.38 -1.27 -3.38 115.31 109.92 3m0w h LEU 62 Ca 0.23 -0.39 -0.70 0.00 0.09 0.00 0.00 57.88 57.11 3m0w h LEU 62 Cb 0.17 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.66 3m0w h LEU 62 CO -0.02 1.16 2.37 -0.67 0.09 0.00 0.00 178.44 181.37 3m0w n ASP 63 N -3.83 4.68 0.18 -0.43 2.03 -0.96 -4.77 116.55 113.44 3m0w n ASP 63 Ca -0.05 -2.91 0.04 0.00 0.52 0.00 0.00 54.79 52.38 3m0w n ASP 63 Cb 0.75 -1.69 0.31 0.00 -0.72 0.00 0.00 41.12 39.76 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 6.98 0.00 -0.17 1.67 4.64 -1.79 -2.47 113.55 122.41 3m0w h SER 64 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3m0w h SER 64 Cb 0.79 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 3m0w h SER 64 CO 1.57 0.43 0.00 -0.46 -0.87 0.00 0.00 176.83 177.49 3m0w n ASN 65 N -3.63 1.82 -3.27 4.97 6.94 -1.26 -4.96 115.26 115.87 3m0w n ASN 65 Ca -0.01 -1.73 -0.24 0.00 -0.02 0.00 0.00 54.58 52.59 3m0w n ASN 65 Cb 0.52 -0.11 0.03 0.00 -2.36 0.00 0.00 39.78 37.86 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 0.42 -4.97 -0.71 -3.83 1.74 -0.93 -4.87 116.66 103.50 3m0w n ARG 66 Ca 0.16 0.76 0.08 0.00 -0.77 0.00 0.00 57.85 58.09 3m0w n ARG 66 Cb 0.36 -5.61 0.37 0.00 -1.02 0.00 0.00 32.46 26.55 3m0w n ARG 66 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3m0w n ASP 67 N -2.56 5.03 0.00 0.55 5.75 -1.26 -4.93 116.55 119.14 3m0w n ASP 67 Ca -0.06 -2.62 0.00 0.00 -0.01 0.00 0.00 54.79 52.10 3m0w n ASP 67 Cb 0.58 -0.62 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.91 -3.59 -4.10 -1.12 4.05 -1.26 -4.97 115.26 105.17 3m0w n ASN 68 Ca 0.26 0.00 -0.09 0.00 0.45 0.00 0.00 54.58 55.20 3m0w n ASN 68 Cb 0.99 -1.58 -0.10 0.00 1.23 0.00 0.00 39.78 40.33 3m0w n ASN 68 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3m0w s GLU 69 N -0.73 0.84 -0.33 1.20 2.02 -1.26 -4.53 118.70 115.91 3m0w s GLU 69 Ca 0.00 -1.32 -0.08 0.00 0.02 0.00 0.00 54.97 53.59 3m0w s GLU 69 Cb 0.00 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.50 3m0w s GLU 69 CO 0.00 -0.23 0.13 0.08 0.02 0.00 0.00 175.26 175.26 3m0w s VAL 70 N -3.99 4.11 0.77 2.63 1.01 0.47 -4.72 120.40 120.67 3m0w s VAL 70 Ca 0.17 -0.85 -0.08 0.00 0.00 0.00 0.00 61.98 61.21 3m0w s VAL 70 Cb 0.07 -3.23 0.10 0.00 0.00 0.00 0.00 36.38 33.32 3m0w s VAL 70 CO -0.03 -0.08 1.09 1.51 0.00 0.00 0.00 175.10 177.59 3m0w s ASP 71 N 1.49 4.42 0.34 3.32 1.47 -1.26 -0.42 116.67 126.03 3m0w s ASP 71 Ca 0.01 0.37 0.03 0.00 1.18 0.00 0.00 52.55 54.14 3m0w s ASP 71 Cb -0.18 -0.86 0.65 0.00 -0.34 0.00 0.00 42.92 42.18 3m0w s ASP 71 CO 0.04 -1.87 1.97 0.15 0.68 0.00 0.00 175.17 176.14 3m0w h PHE 72 N -0.83 0.84 -0.28 2.11 3.57 -2.00 -0.80 116.94 119.56 3m0w h PHE 72 Ca -0.44 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.06 3m0w h PHE 72 Cb 1.30 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.75 3m0w h PHE 72 CO 0.01 0.48 0.06 0.37 -2.23 0.00 0.00 178.31 177.00 3m0w h GLN 73 N 0.87 0.45 0.00 1.11 4.15 -1.96 -0.65 115.11 119.08 3m0w h GLN 73 Ca 0.30 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.54 3m0w h GLN 73 Cb 0.09 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.72 3m0w h GLN 73 CO -0.09 0.55 -0.30 0.93 -1.93 0.00 0.00 178.83 177.99 3m0w h GLU 74 N 0.29 0.00 -0.33 1.69 5.08 -1.75 -2.30 114.58 117.25 3m0w h GLU 74 Ca 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 3m0w h GLU 74 Cb 0.30 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3m0w h GLU 74 CO 0.00 0.30 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.38 3m0w h TYR 75 N 0.00 0.66 -0.47 4.33 3.20 -0.66 -2.17 116.97 121.85 3m0w h TYR 75 Ca -0.00 -0.12 -0.00 0.00 3.14 0.00 0.00 58.73 61.75 3m0w h TYR 75 Cb 0.54 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3m0w h TYR 75 CO 0.00 0.72 0.28 0.00 -1.64 0.00 0.00 178.16 177.52 3m0w h VAL 77 N 0.63 1.01 -0.20 0.00 2.07 -1.38 0.16 116.25 118.54 3m0w h VAL 77 Ca 0.17 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.42 3m0w h VAL 77 Cb -0.00 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.91 3m0w h VAL 77 CO -0.03 0.14 0.13 0.15 0.02 0.00 0.00 177.57 177.98 3m0w h PHE 78 N 0.79 0.25 -0.61 1.57 3.57 -0.91 -0.88 116.94 120.73 3m0w h PHE 78 Ca 0.32 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.74 3m0w h PHE 78 Cb 0.16 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3m0w h PHE 78 CO -0.06 0.16 0.05 -0.07 -2.23 0.00 0.00 178.31 176.17 3m0w h LEU 79 N 0.27 1.01 -0.81 0.59 3.38 -0.55 -2.13 115.31 117.07 3m0w h LEU 79 Ca 0.07 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.83 3m0w h LEU 79 Cb -0.03 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.39 3m0w h LEU 79 CO -0.02 1.04 0.48 0.28 0.09 0.00 0.00 178.44 180.32 3m0w h SER 80 N 0.94 0.74 -0.47 -0.43 0.02 -0.55 0.12 113.55 113.93 3m0w h SER 80 Ca 0.18 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 3m0w h SER 80 Cb 0.49 -0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 3m0w h SER 80 CO 0.02 0.46 0.20 0.00 -1.14 0.00 0.00 176.83 176.37 3m0w h ILE 82 N 0.40 1.10 -0.65 0.00 2.04 -0.76 -1.85 117.51 117.79 3m0w h ILE 82 Ca 0.21 -0.27 0.11 0.00 1.00 0.00 0.00 64.86 65.90 3m0w h ILE 82 Cb 0.17 0.95 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 3m0w h ILE 82 CO -0.19 0.10 0.24 0.00 0.00 0.00 0.00 178.15 178.30 3m0w h ALA 83 N 0.99 0.85 -0.63 1.87 0.00 0.23 0.20 119.26 122.78 3m0w h ALA 83 Ca 0.06 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.19 3m0w h ALA 83 Cb 0.07 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 3m0w h ALA 83 CO -0.01 -0.20 0.14 1.98 0.00 0.00 0.00 179.25 181.16 3m0w h MET 84 N 0.41 0.26 0.17 0.00 -1.53 0.65 -0.12 114.93 114.77 3m0w h MET 84 Ca 0.33 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.57 3m0w h MET 84 Cb 0.44 -0.06 0.00 0.00 -0.55 0.00 0.00 31.60 31.43 3m0w h MET 84 CO -0.34 0.17 -0.09 0.52 0.14 0.00 0.00 176.91 177.32 3m0w h MET 85 N 0.26 -0.23 -0.89 0.39 2.07 -0.18 -2.79 114.93 113.56 3m0w h MET 85 Ca 0.33 0.02 0.09 0.00 -2.07 0.00 0.00 59.70 58.07 3m0w h MET 85 Cb 0.51 0.05 -0.07 0.00 -1.87 0.00 0.00 31.60 30.21 3m0w h MET 85 CO -0.42 -0.15 0.54 0.00 1.07 0.00 0.00 176.91 177.94 3m0w h ASN 87 N 0.91 0.75 -0.80 0.00 -1.24 -0.80 -1.43 115.58 112.96 3m0w h ASN 87 Ca 0.42 -0.01 0.16 0.00 0.71 0.00 0.00 56.30 57.59 3m0w h ASN 87 Cb 0.35 -0.17 -0.06 0.00 0.73 0.00 0.00 38.32 39.17 3m0w h ASN 87 CO -0.24 0.51 0.53 -0.33 -1.29 0.00 0.00 177.43 176.62 3m0w h GLU 88 N 0.87 0.43 -0.94 6.67 3.07 -1.07 -0.95 114.58 122.66 3m0w h GLU 88 Ca 0.29 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 59.14 3m0w h GLU 88 Cb 0.07 -0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 27.84 3m0w h GLU 88 CO -0.08 0.28 0.62 0.35 -1.40 0.00 0.00 179.01 178.78 3m0w h PHE 89 N 0.44 1.17 -0.20 4.33 3.57 -1.32 -3.05 116.94 121.88 3m0w h PHE 89 Ca 0.40 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.75 3m0w h PHE 89 Cb 0.91 -0.39 -0.00 0.00 2.79 0.00 0.00 35.95 39.25 3m0w h PHE 89 CO -0.00 0.72 -0.60 0.74 -2.23 0.00 0.00 178.31 176.94 3m0w h PHE 90 N 1.25 0.84 0.00 0.41 -1.00 -1.25 -2.82 116.94 114.37 3m0w h PHE 90 Ca 0.35 -0.31 -0.01 0.00 2.81 0.00 0.00 57.97 60.81 3m0w h PHE 90 Cb -0.11 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.30 3m0w h PHE 90 CO -0.01 1.09 -0.03 0.93 -1.61 0.00 0.00 178.31 178.68 3m0w h GLU 91 N 0.49 0.00 -0.00 1.51 5.08 -1.46 -3.46 114.58 116.74 3m0w h GLU 91 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m0w h GLU 91 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3m0w h GLU 91 CO 0.12 0.03 0.00 0.41 -1.00 0.00 0.00 179.01 178.57 3m0w n GLY 92 N -0.48 1.85 1.58 -3.84 0.00 -1.06 -5.14 105.19 98.10 3m0w n GLY 92 Ca -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3m0w n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01