#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 0.54 -0.23 0.00 0.11 -2.05 -1.06 132.00 129.31 3m0w h PRO 4 Ca 0.00 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3m0w h PRO 4 Cb 0.00 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3m0w h PRO 4 CO 0.00 0.36 -0.01 1.25 -0.21 0.00 0.00 178.00 179.38 3m0w h LEU 5 N 0.56 0.40 -0.97 2.35 5.85 -2.05 0.26 115.31 121.71 3m0w h LEU 5 Ca 0.52 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3m0w h LEU 5 Cb 0.85 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 3m0w h LEU 5 CO -0.43 0.63 0.38 -0.33 -0.34 0.00 0.00 178.44 178.35 3m0w h GLU 6 N 0.17 1.12 -0.36 1.25 5.08 -1.92 -1.01 114.58 118.91 3m0w h GLU 6 Ca 0.06 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3m0w h GLU 6 Cb 0.43 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3m0w h GLU 6 CO 0.01 0.86 -0.03 -0.22 -1.00 0.00 0.00 179.01 178.63 3m0w h LYS 7 N 1.11 0.57 -0.41 2.33 3.64 -0.83 -1.83 116.57 121.14 3m0w h LYS 7 Ca 0.27 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3m0w h LYS 7 Cb 0.10 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3m0w h LYS 7 CO -0.04 0.62 0.16 0.00 -2.27 0.00 0.00 179.45 177.93 3m0w h ALA 8 N 1.43 0.54 -0.52 5.00 0.00 0.57 0.49 119.26 126.76 3m0w h ALA 8 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3m0w h ALA 8 Cb 0.40 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3m0w h ALA 8 CO 0.02 0.14 0.33 -0.07 0.00 0.00 0.00 179.25 179.67 3m0w h LEU 9 N 0.52 0.60 -0.27 0.00 3.38 -1.05 -1.62 115.31 116.87 3m0w h LEU 9 Ca 0.14 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3m0w h LEU 9 Cb 0.19 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 3m0w h LEU 9 CO -0.01 0.45 -0.12 -0.78 0.09 0.00 0.00 178.44 178.07 3m0w h ASP 10 N 0.70 -0.40 -0.87 -0.43 1.82 -0.84 -1.72 116.42 114.67 3m0w h ASP 10 Ca 0.19 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.93 3m0w h ASP 10 Cb -0.06 0.23 -0.04 0.00 0.68 0.00 0.00 39.33 40.14 3m0w h ASP 10 CO -0.04 -0.15 0.54 0.58 -1.61 0.00 0.00 179.24 178.56 3m0w h VAL 11 N -0.08 1.23 -0.25 2.25 2.07 -0.62 0.60 116.25 121.45 3m0w h VAL 11 Ca 0.14 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.18 3m0w h VAL 11 Cb 0.29 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.04 3m0w h VAL 11 CO -0.32 0.24 0.16 0.24 0.02 0.00 0.00 177.57 177.91 3m0w h MET 12 N 1.19 0.34 -0.16 1.57 2.86 -0.85 -0.70 114.93 119.18 3m0w h MET 12 Ca 0.31 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.77 3m0w h MET 12 Cb -0.08 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.51 3m0w h MET 12 CO -0.06 0.25 -0.50 0.28 1.06 0.00 0.00 176.91 177.93 3m0w h VAL 13 N 0.33 1.33 -0.39 -2.22 2.07 -1.03 -3.19 116.25 113.15 3m0w h VAL 13 Ca 0.09 -1.76 -0.13 0.00 0.82 0.00 0.00 66.70 65.72 3m0w h VAL 13 Cb -0.01 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 3m0w h VAL 13 CO -0.02 0.54 -0.28 0.28 0.02 0.00 0.00 177.57 178.11 3m0w h SER 14 N 0.29 0.86 -0.82 0.57 0.02 -0.85 -2.98 113.55 110.64 3m0w h SER 14 Ca -0.02 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3m0w h SER 14 Cb 1.12 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 63.39 3m0w h SER 14 CO 0.11 1.08 0.50 0.74 -1.14 0.00 0.00 176.83 178.13 3m0w h THR 15 N 0.70 1.22 -0.50 -2.27 2.02 -1.18 -1.13 112.91 111.78 3m0w h THR 15 Ca 0.08 -0.47 0.02 0.00 0.77 0.00 0.00 66.41 66.81 3m0w h THR 15 Cb 0.83 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 3m0w h THR 15 CO 0.07 0.23 0.31 0.15 0.37 0.00 0.00 175.52 176.65 3m0w h PHE 16 N 1.13 0.59 0.00 3.16 3.57 -1.51 -2.81 116.94 121.07 3m0w h PHE 16 Ca 0.30 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 3m0w h PHE 16 Cb -0.07 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.48 3m0w h PHE 16 CO 0.00 0.35 -0.09 0.45 -2.23 0.00 0.00 178.31 176.79 3m0w h HIS 17 N 0.63 0.00 0.00 0.41 3.86 -1.38 -1.09 115.15 117.58 3m0w h HIS 17 Ca 0.19 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.38 3m0w h HIS 17 Cb -0.02 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 3m0w h HIS 17 CO -0.06 0.09 -0.09 -0.22 0.86 0.00 0.00 177.93 178.51 3m0w h LYS 18 N 0.00 0.00 0.00 2.45 3.64 -0.95 -3.16 116.57 118.55 3m0w h LYS 18 Ca -0.00 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.19 3m0w h LYS 18 Cb 1.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.79 3m0w h LYS 18 CO 0.01 0.09 -1.73 0.66 -2.27 0.00 0.00 179.45 176.21 3m0w n TYR 19 N -4.34 0.00 0.00 1.91 4.01 -1.12 -4.62 117.16 113.00 3m0w n TYR 19 Ca -0.03 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.67 3m0w n TYR 19 Cb 0.17 -0.52 0.17 0.00 -0.31 0.00 0.00 39.34 38.84 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 0.53 -0.23 7.72 4.64 -1.25 -3.11 113.55 121.86 3m0w h SER 20 Ca -0.28 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3m0w h SER 20 Cb 1.64 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 3m0w h SER 20 CO 0.02 0.80 0.00 0.61 -0.87 0.00 0.00 176.83 177.39 3m0w n GLY 21 N -0.27 0.12 0.07 -0.77 0.00 -0.98 -4.19 105.19 99.17 3m0w n GLY 21 Ca -0.01 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 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 1.37 -0.03 -4.65 1.61 1.57 -1.81 -3.47 116.57 111.17 3m0w h LYS 22 Ca 0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.55 3m0w h LYS 22 Cb 0.32 0.01 -0.15 0.00 0.08 0.00 0.00 32.23 32.49 3m0w h LYS 22 CO 0.00 0.58 -0.68 -1.83 -0.57 0.00 0.00 179.45 176.96 3m0w s GLU 23 N -3.66 0.94 5.27 3.15 -1.05 -1.26 -5.11 118.70 116.99 3m0w s GLU 23 Ca -0.16 -1.42 0.00 0.00 -0.15 0.00 0.00 54.97 53.24 3m0w s GLU 23 Cb 0.00 -0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.56 3m0w s GLU 23 CO 0.65 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 177.17 3m0w n GLY 24 N -0.12 2.86 3.68 -3.83 0.00 -1.26 -4.45 105.19 102.08 3m0w n GLY 24 Ca -0.09 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.21 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 1.37 3.90 0.24 1.61 -0.08 -1.26 -4.86 116.55 117.47 3m0w n ASP 25 Ca 0.00 0.98 0.12 0.00 -1.51 0.00 0.00 54.79 54.39 3m0w n ASP 25 Cb 0.00 -1.51 0.55 0.00 2.34 0.00 0.00 41.12 42.50 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 8.67 0.00 -0.35 -0.67 6.56 -1.78 -3.11 116.57 125.88 3m0w h LYS 26 Ca -0.47 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.10 3m0w h LYS 26 Cb 1.23 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.88 3m0w h LYS 26 CO 0.94 0.15 0.01 1.19 -2.06 0.00 0.00 179.45 179.68 3m0w n PHE 27 N -3.33 1.27 -3.90 -1.35 3.72 -1.26 -2.32 117.46 110.29 3m0w n PHE 27 Ca 0.00 -0.89 -0.11 0.00 -0.05 0.00 0.00 57.45 56.40 3m0w n PHE 27 Cb 0.37 -0.38 -0.11 0.00 -0.94 0.00 0.00 39.48 38.42 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 -2.85 0.33 -0.29 -1.08 3.01 -1.18 -4.28 119.74 113.41 3m0w s LYS 28 Ca 0.46 -0.35 -0.15 0.00 -1.01 0.00 0.00 55.97 54.92 3m0w s LYS 28 Cb 0.37 0.13 -0.03 0.00 -1.01 0.00 0.00 37.83 37.29 3m0w s LYS 28 CO 0.10 -0.07 0.37 -0.51 0.51 0.00 0.00 175.35 175.75 3m0w s LEU 29 N -1.06 4.13 0.81 3.17 1.43 0.77 -4.66 118.68 123.28 3m0w s LEU 29 Ca -0.12 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 53.03 3m0w s LEU 29 Cb -0.07 -2.39 0.12 0.00 0.03 0.00 0.00 46.19 43.88 3m0w s LEU 29 CO 0.00 -0.22 1.15 0.54 0.23 0.00 0.00 176.35 178.05 3m0w s ASN 30 N 1.68 4.15 0.27 2.29 2.20 -1.26 -0.44 114.94 123.82 3m0w s ASN 30 Ca 0.14 0.36 -0.00 0.00 -0.94 0.00 0.00 52.86 52.42 3m0w s ASN 30 Cb -0.16 -0.75 0.58 0.00 -2.00 0.00 0.00 41.25 38.92 3m0w s ASN 30 CO 0.11 -2.06 1.74 0.07 -2.94 0.00 0.00 177.10 174.01 3m0w h LYS 31 N -1.02 0.53 -0.21 3.55 2.10 -1.99 0.42 116.57 119.95 3m0w h LYS 31 Ca -0.44 -0.03 -0.04 0.00 -2.00 0.00 0.00 60.65 58.15 3m0w h LYS 31 Cb 1.29 -0.12 -0.01 0.00 -0.90 0.00 0.00 32.23 32.49 3m0w h LYS 31 CO 0.52 0.35 -0.01 1.03 -2.00 0.00 0.00 179.45 179.34 3m0w h SER 32 N 0.54 0.37 -0.56 7.07 0.87 -1.99 -1.53 113.55 118.32 3m0w h SER 32 Ca 0.48 -0.32 -0.05 0.00 -1.23 0.00 0.00 61.79 60.67 3m0w h SER 32 Cb 0.76 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.60 3m0w h SER 32 CO -0.41 0.60 0.14 -0.33 -0.53 0.00 0.00 176.83 176.29 3m0w h GLU 33 N 0.13 0.89 -0.87 2.24 5.08 -1.69 -2.12 114.58 118.25 3m0w h GLU 33 Ca 0.06 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3m0w h GLU 33 Cb 0.41 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 3m0w h GLU 33 CO 0.01 0.84 0.48 1.25 -1.00 0.00 0.00 179.01 180.59 3m0w h LEU 34 N 0.80 1.09 -0.38 1.33 5.85 -0.90 -1.59 115.31 121.51 3m0w h LEU 34 Ca 0.18 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.82 3m0w h LEU 34 Cb 0.34 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3m0w h LEU 34 CO 0.00 0.88 0.19 0.50 -0.34 0.00 0.00 178.44 179.67 3m0w h LYS 35 N 1.22 0.39 -0.06 1.25 3.64 -0.98 -0.71 116.57 121.31 3m0w h LYS 35 Ca 0.31 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.66 3m0w h LYS 35 Cb 0.03 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3m0w h LYS 35 CO -0.05 0.26 0.04 0.93 -2.27 0.00 0.00 179.45 178.35 3m0w h GLU 36 N 0.40 0.09 -0.27 1.90 5.08 -1.03 -1.39 114.58 119.36 3m0w h GLU 36 Ca 0.16 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 3m0w h GLU 36 Cb 0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3m0w h GLU 36 CO -0.11 0.11 0.14 1.25 -1.00 0.00 0.00 179.01 179.40 3m0w h LEU 37 N 0.04 0.21 -0.48 1.33 6.46 -1.04 0.12 115.31 121.95 3m0w h LEU 37 Ca 0.02 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.76 3m0w h LEU 37 Cb 0.04 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 3m0w h LEU 37 CO -0.00 0.16 0.17 -0.07 -0.62 0.00 0.00 178.44 178.07 3m0w h LEU 38 N 0.29 0.69 -0.04 2.25 3.38 -1.12 0.26 115.31 121.02 3m0w h LEU 38 Ca 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 3m0w h LEU 38 Cb 0.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 3m0w h LEU 38 CO -0.07 0.70 0.01 0.74 0.09 0.00 0.00 178.44 179.90 3m0w h THR 39 N 0.65 1.22 0.00 0.22 2.02 -0.94 -1.68 112.91 114.40 3m0w h THR 39 Ca 0.16 -0.67 -0.19 0.00 0.77 0.00 0.00 66.41 66.48 3m0w h THR 39 Cb 0.24 1.58 -0.03 0.00 -1.74 0.00 0.00 68.15 68.20 3m0w h THR 39 CO -0.01 0.18 -1.08 0.03 0.37 0.00 0.00 175.52 175.01 3m0w h ARG 40 N -0.18 0.00 0.00 6.66 -0.00 -0.78 -3.36 114.38 116.72 3m0w h ARG 40 Ca 0.01 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.36 3m0w h ARG 40 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.23 3m0w h ARG 40 CO 0.00 0.67 -1.66 0.39 0.00 0.00 0.00 179.97 179.38 3m0w n GLU 41 N -3.19 1.64 -2.58 0.04 -0.58 0.92 -4.71 120.64 112.18 3m0w n GLU 41 Ca -0.04 -0.04 -0.18 0.00 -0.42 0.00 0.00 57.16 56.48 3m0w n GLU 41 Cb 0.90 -1.27 0.01 0.00 -0.57 0.00 0.00 31.44 30.51 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 -2.23 3.10 0.28 -4.62 4.77 -0.64 -4.92 117.00 112.74 3m0w n LEU 42 Ca -0.12 -4.50 0.12 0.00 -0.03 0.00 0.00 56.01 51.48 3m0w n LEU 42 Cb 0.66 -0.02 0.78 0.00 -2.33 0.00 0.00 43.42 42.52 3m0w n LEU 42 CO 0.23 1.92 1.09 1.55 -1.33 0.00 0.00 177.39 180.84 3m0w h PRO 43 N 2.79 0.00 -0.00 3.23 0.13 -1.69 -1.44 132.00 135.02 3m0w h PRO 43 Ca 0.10 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.14 3m0w h PRO 43 Cb 1.04 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.16 3m0w h PRO 43 CO 0.68 0.01 -0.47 0.77 -0.23 0.00 0.00 178.00 178.76 3m0w h SER 44 N 0.00 0.01 -0.01 1.44 0.02 -1.91 -3.22 113.55 109.88 3m0w h SER 44 Ca -0.00 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.93 3m0w h SER 44 Cb 0.03 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3m0w h SER 44 CO 0.00 0.48 -0.07 0.15 -1.14 0.00 0.00 176.83 176.24 3m0w h PHE 45 N 0.01 0.08 -3.07 3.45 3.57 -1.63 -3.56 116.94 115.80 3m0w h PHE 45 Ca -0.00 -0.04 -0.31 0.00 3.53 0.00 0.00 57.97 61.15 3m0w h PHE 45 Cb 0.83 -0.01 0.14 0.00 2.79 0.00 0.00 35.95 39.70 3m0w h PHE 45 CO 0.00 0.78 0.17 1.28 -2.23 0.00 0.00 178.31 178.31 3m0w n LEU 46 N -4.67 0.00 0.00 0.59 4.77 -1.19 -5.19 117.00 111.31 3m0w n LEU 46 Ca -0.09 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 3m0w n LEU 46 Cb 0.40 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.73 3m0w n LEU 46 CO 0.35 -1.65 0.00 -0.90 -1.33 0.00 0.00 177.39 173.86 3m0w n ASP 51 N -4.15 0.00 -0.02 -1.43 5.75 -1.26 -5.10 116.55 110.35 3m0w n ASP 51 Ca 0.12 0.00 -0.02 0.00 -0.01 0.00 0.00 54.79 54.88 3m0w n ASP 51 Cb 0.44 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.51 3m0w n ASP 51 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 3m0w n GLU 52 N 0.00 2.86 -0.10 0.11 0.00 -1.26 -4.50 120.64 117.75 3m0w n GLU 52 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.16 57.05 3m0w n GLU 52 Cb 0.00 -1.08 -0.03 0.00 0.00 0.00 0.00 31.44 30.33 3m0w n GLU 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3m0w h ALA 53 N 0.13 0.39 -0.33 4.31 0.00 -2.05 -0.62 119.26 121.09 3m0w h ALA 53 Ca -0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.57 3m0w h ALA 53 Cb 1.18 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3m0w h ALA 53 CO 0.00 0.12 0.05 0.00 0.00 0.00 0.00 179.25 179.42 3m0w h ALA 54 N 0.85 1.47 -0.47 0.00 0.00 -2.00 -0.47 119.26 118.65 3m0w h ALA 54 Ca 0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3m0w h ALA 54 Cb 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3m0w h ALA 54 CO 0.01 0.38 0.06 0.74 0.00 0.00 0.00 179.25 180.45 3m0w h PHE 55 N 0.48 0.83 -0.59 0.00 -1.00 -1.72 -2.15 116.94 112.79 3m0w h PHE 55 Ca 0.11 -0.12 -0.07 0.00 2.81 0.00 0.00 57.97 60.70 3m0w h PHE 55 Cb 0.24 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 3m0w h PHE 55 CO 0.01 0.78 0.08 0.37 -1.61 0.00 0.00 178.31 177.94 3m0w h GLN 56 N 0.64 0.97 -0.44 1.51 5.75 -0.40 0.18 115.11 123.31 3m0w h GLN 56 Ca 0.14 -0.25 -0.06 0.00 -0.15 0.00 0.00 58.65 58.33 3m0w h GLN 56 Cb 0.40 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 3m0w h GLN 56 CO 0.01 0.90 0.02 0.87 -2.65 0.00 0.00 178.83 177.98 3m0w h LYS 57 N 0.91 0.71 -0.01 1.69 6.56 -1.02 -0.75 116.57 124.65 3m0w h LYS 57 Ca 0.18 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.59 3m0w h LYS 57 Cb 0.42 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 31.99 3m0w h LYS 57 CO 0.01 0.71 -0.02 -0.07 -2.06 0.00 0.00 179.45 178.02 3m0w h LEU 58 N 0.67 0.03 -1.25 2.94 4.07 -0.91 -2.19 115.31 118.68 3m0w h LEU 58 Ca 0.14 -0.58 0.14 0.00 0.08 0.00 0.00 57.88 57.66 3m0w h LEU 58 Cb 0.39 -0.01 -0.07 0.00 1.08 0.00 0.00 40.66 42.05 3m0w h LEU 58 CO 0.01 0.61 0.58 -0.03 -1.08 0.00 0.00 178.44 178.54 3m0w h MET 59 N -0.54 0.70 -0.18 1.13 4.05 -0.59 -0.97 114.93 118.54 3m0w h MET 59 Ca 0.00 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 3m0w h MET 59 Cb 0.60 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.24 3m0w h MET 59 CO 0.00 0.46 -0.11 1.03 0.23 0.00 0.00 176.91 178.53 3m0w h SER 60 N 0.72 0.41 -0.78 1.39 0.87 -1.13 -2.46 113.55 112.57 3m0w h SER 60 Ca 0.46 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 3m0w h SER 60 Cb 0.72 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 3m0w h SER 60 CO -0.22 0.75 0.49 0.78 -0.53 0.00 0.00 176.83 178.10 3m0w h ASN 61 N 0.07 0.92 0.48 6.23 2.35 -0.65 -3.12 115.58 121.86 3m0w h ASN 61 Ca 0.04 -0.05 -0.21 0.00 -0.55 0.00 0.00 56.30 55.52 3m0w h ASN 61 Cb 0.60 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 3m0w h ASN 61 CO 0.03 0.69 -0.93 -0.07 -1.65 0.00 0.00 177.43 175.51 3m0w h LEU 62 N 1.06 0.39 -7.31 1.61 3.38 -1.24 -3.38 115.31 109.82 3m0w h LEU 62 Ca 0.28 -0.32 -0.70 0.00 0.09 0.00 0.00 57.88 57.24 3m0w h LEU 62 Cb -0.07 -0.12 -0.09 0.00 0.09 0.00 0.00 40.66 40.47 3m0w h LEU 62 CO -0.06 1.13 2.33 -0.67 0.09 0.00 0.00 178.44 181.26 3m0w n ASP 63 N -3.69 4.72 0.15 -0.43 2.03 -0.93 -4.77 116.55 113.64 3m0w n ASP 63 Ca -0.05 -2.92 0.01 0.00 0.52 0.00 0.00 54.79 52.35 3m0w n ASP 63 Cb 0.83 -1.69 0.23 0.00 -0.72 0.00 0.00 41.12 39.77 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 7.03 0.00 -0.05 1.67 4.64 -1.79 -2.68 113.55 122.38 3m0w h SER 64 Ca 0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3m0w h SER 64 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3m0w h SER 64 CO 1.55 0.53 0.00 -0.46 -0.87 0.00 0.00 176.83 177.58 3m0w n ASN 65 N -3.77 1.35 -3.42 4.97 6.94 -1.26 -4.96 115.26 115.12 3m0w n ASN 65 Ca -0.01 -1.50 -0.24 0.00 -0.02 0.00 0.00 54.58 52.80 3m0w n ASN 65 Cb 0.57 -0.03 0.05 0.00 -2.36 0.00 0.00 39.78 38.01 3m0w n ASN 65 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 3m0w n ARG 66 N 0.07 -6.27 -0.66 -3.83 0.00 -1.01 -4.89 116.66 100.07 3m0w n ARG 66 Ca 0.19 0.81 0.09 0.00 -0.00 0.00 0.00 57.85 58.93 3m0w n ARG 66 Cb 0.32 -5.76 0.36 0.00 -0.00 0.00 0.00 32.46 27.38 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 -2.77 4.87 0.00 2.89 5.75 -1.26 -4.93 116.55 121.10 3m0w n ASP 67 Ca -0.03 -2.53 0.00 0.00 -0.01 0.00 0.00 54.79 52.22 3m0w n ASP 67 Cb 0.58 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3m0w n ASP 67 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 3m0w n ASN 68 N 1.03 -3.47 -4.11 -1.12 0.23 -1.26 -4.98 115.26 101.57 3m0w n ASN 68 Ca 0.26 0.00 -0.08 0.00 -0.53 0.00 0.00 54.58 54.23 3m0w n ASN 68 Cb 0.94 -1.68 -0.10 0.00 -2.08 0.00 0.00 39.78 36.85 3m0w n ASN 68 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 3m0w s GLU 69 N -0.80 0.73 -0.33 -3.83 2.02 -1.26 -4.53 118.70 110.71 3m0w s GLU 69 Ca 0.00 -1.30 -0.09 0.00 0.02 0.00 0.00 54.97 53.60 3m0w s GLU 69 Cb 0.00 0.22 0.02 0.00 0.10 0.00 0.00 34.13 34.47 3m0w s GLU 69 CO 0.00 -0.17 0.14 0.08 0.02 0.00 0.00 175.26 175.33 3m0w s VAL 70 N -3.97 4.26 0.76 2.63 1.01 0.42 -4.72 120.40 120.79 3m0w s VAL 70 Ca 0.13 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 3m0w s VAL 70 Cb 0.08 -3.29 0.11 0.00 0.00 0.00 0.00 36.38 33.27 3m0w s VAL 70 CO -0.06 -0.07 1.07 1.51 0.00 0.00 0.00 175.10 177.56 3m0w s ASP 71 N 1.52 4.34 0.26 3.32 3.84 -1.26 -0.16 116.67 128.54 3m0w s ASP 71 Ca 0.02 0.22 -0.05 0.00 -0.00 0.00 0.00 52.55 52.74 3m0w s ASP 71 Cb -0.18 -0.68 0.31 0.00 -1.38 0.00 0.00 42.92 40.99 3m0w s ASP 71 CO 0.05 -1.90 1.93 0.15 -0.00 0.00 0.00 175.17 175.40 3m0w h PHE 72 N -0.80 1.22 -0.57 2.11 3.57 -1.99 -0.82 116.94 119.65 3m0w h PHE 72 Ca -0.43 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.07 3m0w h PHE 72 Cb 1.29 -0.41 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 3m0w h PHE 72 CO -0.11 0.76 0.21 0.37 -2.23 0.00 0.00 178.31 177.31 3m0w h GLN 73 N 1.30 0.86 -0.08 1.11 4.15 -1.96 0.30 115.11 120.80 3m0w h GLN 73 Ca 0.36 -0.17 -0.07 0.00 0.77 0.00 0.00 58.65 59.54 3m0w h GLN 73 Cb -0.13 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.42 3m0w h GLN 73 CO -0.08 0.76 -0.28 0.93 -1.93 0.00 0.00 178.83 178.22 3m0w h GLU 74 N 0.79 0.14 -0.51 1.69 5.08 -1.76 -2.47 114.58 117.54 3m0w h GLU 74 Ca 0.19 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 3m0w h GLU 74 Cb 0.23 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3m0w h GLU 74 CO -0.01 0.41 0.05 -0.92 -1.00 0.00 0.00 179.01 177.54 3m0w h TYR 75 N 0.12 0.93 -0.37 4.33 3.20 -0.29 -2.23 116.97 122.67 3m0w h TYR 75 Ca 0.02 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.74 3m0w h TYR 75 Cb 0.57 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3m0w h TYR 75 CO 0.01 0.86 0.20 0.00 -1.64 0.00 0.00 178.16 177.59 3m0w h VAL 77 N 0.48 0.91 -0.68 0.00 2.07 -1.38 0.13 116.25 117.77 3m0w h VAL 77 Ca 0.13 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 3m0w h VAL 77 Cb 0.06 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3m0w h VAL 77 CO -0.02 0.10 0.42 0.15 0.02 0.00 0.00 177.57 178.24 3m0w h PHE 78 N 0.57 0.89 -0.30 1.57 3.57 -1.01 -0.28 116.94 121.94 3m0w h PHE 78 Ca 0.29 0.00 -0.18 0.00 3.53 0.00 0.00 57.97 61.61 3m0w h PHE 78 Cb 0.24 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.68 3m0w h PHE 78 CO -0.11 0.59 -0.50 -0.07 -2.23 0.00 0.00 178.31 175.99 3m0w h LEU 79 N 0.92 0.93 -0.77 0.59 3.38 -0.61 -2.36 115.31 117.40 3m0w h LEU 79 Ca 0.24 -0.48 0.10 0.00 0.09 0.00 0.00 57.88 57.83 3m0w h LEU 79 Cb -0.04 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.37 3m0w h LEU 79 CO -0.05 1.27 0.41 0.28 0.09 0.00 0.00 178.44 180.44 3m0w h SER 80 N 0.66 0.55 -0.39 -0.43 0.02 -0.47 -0.01 113.55 113.49 3m0w h SER 80 Ca 0.03 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3m0w h SER 80 Cb 1.10 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.57 3m0w h SER 80 CO 0.11 0.31 0.22 0.00 -1.14 0.00 0.00 176.83 176.34 3m0w h ILE 82 N 0.46 1.16 -0.58 0.00 2.04 -0.90 -2.06 117.51 117.62 3m0w h ILE 82 Ca 0.16 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.63 3m0w h ILE 82 Cb 0.01 0.81 -0.05 0.00 -0.74 0.00 0.00 36.82 36.85 3m0w h ILE 82 CO -0.08 0.17 0.29 0.00 0.00 0.00 0.00 178.15 178.53 3m0w h ALA 83 N 1.03 0.76 -0.65 1.87 0.00 -0.40 -0.56 119.26 121.31 3m0w h ALA 83 Ca 0.12 0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.20 3m0w h ALA 83 Cb 0.11 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.71 3m0w h ALA 83 CO -0.02 -0.06 -0.07 1.98 0.00 0.00 0.00 179.25 181.09 3m0w h MET 84 N 0.55 0.06 -0.42 0.00 -1.53 0.17 0.99 114.93 114.75 3m0w h MET 84 Ca 0.27 -0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.49 3m0w h MET 84 Cb 0.20 -0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.22 3m0w h MET 84 CO -0.19 0.04 0.12 0.52 0.14 0.00 0.00 176.91 177.54 3m0w h MET 85 N 0.06 0.66 -0.97 0.39 2.07 -0.45 -2.64 114.93 114.05 3m0w h MET 85 Ca 0.34 -0.15 0.03 0.00 -2.07 0.00 0.00 59.70 57.85 3m0w h MET 85 Cb 0.54 -0.09 -0.05 0.00 -1.87 0.00 0.00 31.60 30.13 3m0w h MET 85 CO -0.61 0.65 0.64 0.00 1.07 0.00 0.00 176.91 178.66 3m0w h ASN 87 N 1.25 0.57 -0.99 0.00 -1.24 -0.49 -2.25 115.58 112.44 3m0w h ASN 87 Ca 0.37 -0.01 0.09 0.00 0.71 0.00 0.00 56.30 57.46 3m0w h ASN 87 Cb -0.05 -0.13 -0.07 0.00 0.73 0.00 0.00 38.32 38.79 3m0w h ASN 87 CO -0.10 0.40 0.63 -0.33 -1.29 0.00 0.00 177.43 176.73 3m0w h GLU 88 N 0.66 1.05 -0.87 6.67 3.07 -1.14 -1.31 114.58 122.71 3m0w h GLU 88 Ca 0.22 -0.06 0.13 0.00 -0.50 0.00 0.00 59.36 59.14 3m0w h GLU 88 Cb 0.05 -0.24 -0.09 0.00 -0.84 0.00 0.00 28.75 27.63 3m0w h GLU 88 CO -0.05 0.69 0.49 0.35 -1.40 0.00 0.00 179.01 179.09 3m0w h PHE 89 N 1.08 0.87 0.00 4.33 3.57 -1.47 -2.22 116.94 123.11 3m0w h PHE 89 Ca 0.45 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.98 3m0w h PHE 89 Cb 0.30 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3m0w h PHE 89 CO -0.01 0.28 -0.04 0.74 -2.23 0.00 0.00 178.31 177.06 3m0w h PHE 90 N 0.75 0.00 0.00 0.41 -1.00 -1.32 -3.15 116.94 112.63 3m0w h PHE 90 Ca 0.45 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.23 3m0w h PHE 90 Cb 0.55 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.11 3m0w h PHE 90 CO -0.06 0.04 0.00 0.39 -1.61 0.00 0.00 178.31 177.07 3m0w n GLU 91 N -3.17 0.38 -0.86 1.51 -0.58 -0.83 -5.16 120.64 111.93 3m0w n GLU 91 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3m0w n GLU 91 Cb 0.29 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.85 3m0w n GLU 91 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06