#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 7.51 0.30 -0.53 0.00 0.11 -2.05 -0.66 132.00 136.67 3m0w h PRO 4 Ca -0.08 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.89 3m0w h PRO 4 Cb 1.00 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3m0w h PRO 4 CO 0.67 0.20 -0.14 1.25 -0.21 0.00 0.00 178.00 179.77 3m0w h LEU 5 N 0.31 1.03 -0.70 2.35 5.85 -1.98 0.28 115.31 122.45 3m0w h LEU 5 Ca 0.43 -0.36 -0.11 0.00 0.84 0.00 0.00 57.88 58.69 3m0w h LEU 5 Cb 0.74 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3m0w h LEU 5 CO -0.50 1.16 -0.20 -0.33 -0.34 0.00 0.00 178.44 178.23 3m0w h GLU 6 N 0.90 0.80 -0.62 1.25 5.08 -1.83 -1.68 114.58 118.48 3m0w h GLU 6 Ca 0.13 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 3m0w h GLU 6 Cb 0.71 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3m0w h GLU 6 CO 0.05 0.93 0.13 -0.22 -1.00 0.00 0.00 179.01 178.90 3m0w h LYS 7 N 0.70 0.97 -0.84 2.33 3.64 -0.67 -2.17 116.57 120.53 3m0w h LYS 7 Ca 0.10 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3m0w h LYS 7 Cb 0.71 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.35 3m0w h LYS 7 CO 0.05 0.88 0.41 0.00 -2.27 0.00 0.00 179.45 178.53 3m0w h ALA 8 N 1.21 1.15 -0.57 5.00 0.00 -0.09 0.12 119.26 126.08 3m0w h ALA 8 Ca 0.20 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3m0w h ALA 8 Cb 0.35 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3m0w h ALA 8 CO 0.00 0.65 -0.05 -0.07 0.00 0.00 0.00 179.25 179.78 3m0w h LEU 9 N 1.19 1.02 -0.43 0.00 3.38 -1.08 -1.69 115.31 117.71 3m0w h LEU 9 Ca 0.29 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.99 3m0w h LEU 9 Cb 0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3m0w h LEU 9 CO -0.04 1.10 0.18 -0.78 0.09 0.00 0.00 178.44 178.99 3m0w h ASP 10 N 0.94 0.22 -0.38 -0.43 1.82 -0.73 -1.64 116.42 116.21 3m0w h ASP 10 Ca 0.16 0.04 -0.07 0.00 -0.39 0.00 0.00 57.03 56.76 3m0w h ASP 10 Cb 0.61 0.01 -0.02 0.00 0.68 0.00 0.00 39.33 40.60 3m0w h ASP 10 CO 0.04 0.16 -0.00 0.58 -1.61 0.00 0.00 179.24 178.41 3m0w h VAL 11 N 0.36 1.24 -0.33 2.25 2.07 -0.66 0.57 116.25 121.75 3m0w h VAL 11 Ca 0.19 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 3m0w h VAL 11 Cb 0.15 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3m0w h VAL 11 CO -0.17 0.35 -0.03 0.24 0.02 0.00 0.00 177.57 177.98 3m0w h MET 12 N 0.72 0.61 -0.17 1.57 2.86 -0.97 -1.53 114.93 118.02 3m0w h MET 12 Ca 0.14 -0.21 -0.21 0.00 -2.06 0.00 0.00 59.70 57.36 3m0w h MET 12 Cb 0.45 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.07 3m0w h MET 12 CO 0.02 0.75 -0.74 0.28 1.06 0.00 0.00 176.91 178.28 3m0w h VAL 13 N 0.41 1.28 -0.11 -2.22 2.07 -0.99 -3.22 116.25 113.47 3m0w h VAL 13 Ca 0.09 -1.94 -0.20 0.00 0.82 0.00 0.00 66.70 65.47 3m0w h VAL 13 Cb 0.49 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3m0w h VAL 13 CO 0.02 0.62 -0.73 0.28 0.02 0.00 0.00 177.57 177.78 3m0w h SER 14 N 0.54 0.65 -0.85 0.57 0.02 -0.89 -3.16 113.55 110.43 3m0w h SER 14 Ca -0.04 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3m0w h SER 14 Cb 1.36 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 3m0w h SER 14 CO 0.15 1.18 0.53 0.74 -1.14 0.00 0.00 176.83 178.29 3m0w h THR 15 N 0.38 1.23 -0.14 -2.27 2.02 -1.35 -1.03 112.91 111.76 3m0w h THR 15 Ca -0.04 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.69 3m0w h THR 15 Cb 1.33 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3m0w h THR 15 CO 0.14 0.24 -0.01 0.15 0.37 0.00 0.00 175.52 176.40 3m0w h PHE 16 N 1.17 -0.03 0.00 3.16 3.57 -1.55 -2.83 116.94 120.42 3m0w h PHE 16 Ca 0.31 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 3m0w h PHE 16 Cb -0.07 0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 3m0w h PHE 16 CO 0.00 -0.03 -0.03 0.45 -2.23 0.00 0.00 178.31 176.47 3m0w h HIS 17 N 0.03 0.00 0.00 0.41 3.86 -1.46 -0.98 115.15 117.01 3m0w h HIS 17 Ca 0.06 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3m0w h HIS 17 Cb 0.08 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.55 3m0w h HIS 17 CO -0.16 0.03 -0.09 -0.22 0.86 0.00 0.00 177.93 178.36 3m0w h LYS 18 N 0.00 0.00 0.00 2.45 3.64 -0.94 -3.14 116.57 118.58 3m0w h LYS 18 Ca -0.00 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.24 3m0w h LYS 18 Cb 0.78 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.58 3m0w h LYS 18 CO 0.00 0.09 -1.59 0.66 -2.27 0.00 0.00 179.45 176.34 3m0w n TYR 19 N -4.11 0.00 0.10 1.91 4.01 -0.97 -4.62 117.16 113.49 3m0w n TYR 19 Ca -0.03 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.68 3m0w n TYR 19 Cb 0.17 -0.41 0.16 0.00 -0.31 0.00 0.00 39.34 38.95 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 0.20 -0.19 7.72 4.64 -1.25 -3.17 113.55 121.49 3m0w h SER 20 Ca -0.21 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3m0w h SER 20 Cb 1.39 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3m0w h SER 20 CO 0.01 0.72 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 3m0w n GLY 21 N 0.17 0.06 0.09 -0.77 0.00 -1.03 -4.14 105.19 99.58 3m0w n GLY 21 Ca -0.02 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 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 1.53 -0.09 -4.87 1.61 1.57 -1.81 -3.47 116.57 111.04 3m0w h LYS 22 Ca 0.00 0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.46 3m0w h LYS 22 Cb 0.34 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 32.53 3m0w h LYS 22 CO 0.00 0.47 -0.64 -1.83 -0.57 0.00 0.00 179.45 176.87 3m0w s GLU 23 N -3.49 1.26 4.86 3.15 1.03 -1.26 -5.10 118.70 119.15 3m0w s GLU 23 Ca -0.15 -1.64 0.00 0.00 0.03 0.00 0.00 54.97 53.21 3m0w s GLU 23 Cb 0.00 -0.31 0.00 0.00 -0.80 0.00 0.00 34.13 33.02 3m0w s GLU 23 CO 0.59 -0.19 0.00 0.41 -1.33 0.00 0.00 175.26 174.74 3m0w n GLY 24 N -0.35 2.81 3.69 -3.83 0.00 -1.26 -4.36 105.19 101.88 3m0w n GLY 24 Ca -0.04 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 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 1.51 3.91 0.26 1.61 -0.08 -1.26 -4.87 116.55 117.62 3m0w n ASP 25 Ca 0.00 0.99 0.15 0.00 -1.51 0.00 0.00 54.79 54.42 3m0w n ASP 25 Cb 0.00 -1.52 0.62 0.00 2.34 0.00 0.00 41.12 42.56 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 8.40 0.00 -0.34 -0.67 6.56 -1.76 -3.13 116.57 125.63 3m0w h LYS 26 Ca -0.46 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.07 3m0w h LYS 26 Cb 1.23 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.86 3m0w h LYS 26 CO 0.94 0.07 0.02 1.19 -2.06 0.00 0.00 179.45 179.61 3m0w n PHE 27 N -3.20 1.18 -3.85 -1.35 3.72 -1.26 -2.45 117.46 110.24 3m0w n PHE 27 Ca 0.00 -1.02 -0.12 0.00 -0.05 0.00 0.00 57.45 56.27 3m0w n PHE 27 Cb 0.34 -0.39 -0.10 0.00 -0.94 0.00 0.00 39.48 38.39 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 -2.91 0.49 -0.32 -1.08 -0.14 -1.18 -4.30 119.74 110.29 3m0w s LYS 28 Ca 0.45 -0.32 -0.14 0.00 -1.36 0.00 0.00 55.97 54.60 3m0w s LYS 28 Cb 0.37 0.21 -0.02 0.00 -1.68 0.00 0.00 37.83 36.70 3m0w s LYS 28 CO 0.08 -0.12 0.30 -0.51 -0.76 0.00 0.00 175.35 174.34 3m0w s LEU 29 N -1.26 4.35 0.80 3.17 1.43 0.21 -4.63 118.68 122.73 3m0w s LEU 29 Ca -0.13 -0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 52.67 3m0w s LEU 29 Cb -0.07 -2.25 0.10 0.00 0.03 0.00 0.00 46.19 44.00 3m0w s LEU 29 CO 0.02 -0.24 1.14 0.54 0.23 0.00 0.00 176.35 178.03 3m0w s ASN 30 N 1.72 4.35 0.29 2.29 2.20 -1.26 -0.66 114.94 123.87 3m0w s ASN 30 Ca 0.10 0.50 0.03 0.00 -0.94 0.00 0.00 52.86 52.55 3m0w s ASN 30 Cb -0.17 -0.96 0.69 0.00 -2.00 0.00 0.00 41.25 38.81 3m0w s ASN 30 CO 0.11 -1.95 1.72 0.07 -2.94 0.00 0.00 177.10 174.11 3m0w h LYS 31 N -0.97 0.46 -0.23 3.55 5.09 -1.99 0.17 116.57 122.64 3m0w h LYS 31 Ca -0.45 -0.03 -0.06 0.00 0.09 0.00 0.00 60.65 60.21 3m0w h LYS 31 Cb 1.30 -0.10 -0.01 0.00 0.10 0.00 0.00 32.23 33.52 3m0w h LYS 31 CO 0.57 0.30 -0.09 1.03 -2.09 0.00 0.00 179.45 179.18 3m0w h SER 32 N 0.47 0.48 -0.09 7.07 0.87 -1.99 -1.47 113.55 118.89 3m0w h SER 32 Ca 0.54 -0.39 -0.12 0.00 -1.23 0.00 0.00 61.79 60.59 3m0w h SER 32 Cb 0.97 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 3m0w h SER 32 CO -0.48 0.76 -0.34 -0.33 -0.53 0.00 0.00 176.83 175.91 3m0w h GLU 33 N 0.19 0.58 -0.12 2.24 5.08 -1.61 -2.02 114.58 118.92 3m0w h GLU 33 Ca 0.05 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.03 3m0w h GLU 33 Cb 0.57 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3m0w h GLU 33 CO 0.03 0.85 -0.43 1.25 -1.00 0.00 0.00 179.01 179.71 3m0w h LEU 34 N 0.49 0.30 -0.31 1.33 5.85 -0.67 -2.18 115.31 120.12 3m0w h LEU 34 Ca 0.05 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 3m0w h LEU 34 Cb 0.82 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3m0w h LEU 34 CO 0.07 0.69 0.13 0.50 -0.34 0.00 0.00 178.44 179.49 3m0w h LYS 35 N 0.23 0.46 0.14 1.25 3.11 -0.80 -2.08 116.57 118.89 3m0w h LYS 35 Ca 0.02 -0.08 -0.01 0.00 -2.81 0.00 0.00 60.65 57.77 3m0w h LYS 35 Cb 0.85 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 3m0w h LYS 35 CO 0.07 0.46 -0.07 0.93 -2.81 0.00 0.00 179.45 178.03 3m0w h GLU 36 N 0.36 -0.19 -0.20 1.90 5.08 -1.23 -1.55 114.58 118.75 3m0w h GLU 36 Ca 0.10 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3m0w h GLU 36 Cb 0.17 0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 3m0w h GLU 36 CO -0.01 -0.09 -0.09 1.25 -1.00 0.00 0.00 179.01 179.07 3m0w h LEU 37 N -0.23 -0.30 -0.57 1.33 6.46 -1.33 0.14 115.31 120.81 3m0w h LEU 37 Ca -0.02 0.08 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 3m0w h LEU 37 Cb 0.18 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.26 3m0w h LEU 37 CO 0.03 -0.12 0.17 -0.07 -0.62 0.00 0.00 178.44 177.83 3m0w h LEU 38 N -0.06 0.83 -0.06 2.25 3.38 -1.36 0.39 115.31 120.68 3m0w h LEU 38 Ca 0.11 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3m0w h LEU 38 Cb 0.22 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3m0w h LEU 38 CO -0.24 0.83 0.01 0.74 0.09 0.00 0.00 178.44 179.87 3m0w h THR 39 N 0.80 1.19 0.04 0.22 2.02 -0.83 -1.65 112.91 114.70 3m0w h THR 39 Ca 0.18 -0.58 -0.24 0.00 0.77 0.00 0.00 66.41 66.54 3m0w h THR 39 Cb 0.30 1.47 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3m0w h THR 39 CO -0.00 0.16 -1.14 0.03 0.37 0.00 0.00 175.52 174.94 3m0w h ARG 40 N -0.12 0.09 0.00 6.66 3.08 -0.69 -3.36 114.38 120.04 3m0w h ARG 40 Ca 0.02 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 59.82 3m0w h ARG 40 Cb 0.24 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3m0w h ARG 40 CO 0.00 1.04 -1.61 0.39 -1.07 0.00 0.00 179.97 178.72 3m0w n GLU 41 N -3.39 1.29 -2.57 0.04 -0.58 0.14 -4.71 120.64 110.86 3m0w n GLU 41 Ca -0.04 -0.06 -0.17 0.00 -0.42 0.00 0.00 57.16 56.47 3m0w n GLU 41 Cb 0.98 -1.27 0.02 0.00 -0.57 0.00 0.00 31.44 30.60 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 -2.13 3.01 0.25 -4.62 4.32 -0.63 -4.92 117.00 112.28 3m0w n LEU 42 Ca -0.09 -4.39 0.13 0.00 -0.02 0.00 0.00 56.01 51.64 3m0w n LEU 42 Cb 0.56 0.01 0.78 0.00 -1.62 0.00 0.00 43.42 43.14 3m0w n LEU 42 CO 0.23 1.86 1.11 1.55 -1.22 0.00 0.00 177.39 180.92 3m0w h PRO 43 N 2.77 0.00 0.00 3.23 0.13 -1.68 -1.30 132.00 135.15 3m0w h PRO 43 Ca 0.09 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.13 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 0.65 0.00 -0.44 0.77 -0.23 0.00 0.00 178.00 178.76 3m0w h SER 44 N 0.00 0.00 -0.01 1.44 0.02 -1.91 0.14 113.55 113.23 3m0w h SER 44 Ca 0.03 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 3m0w h SER 44 Cb 0.15 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.69 3m0w h SER 44 CO -0.00 0.44 -0.06 0.15 -1.14 0.00 0.00 176.83 176.22 3m0w h PHE 45 N 0.00 0.07 0.00 3.45 3.57 -1.60 -3.36 116.94 119.08 3m0w h PHE 45 Ca -0.00 -0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.24 3m0w h PHE 45 Cb 0.79 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 3m0w h PHE 45 CO 0.00 0.74 -1.21 -0.07 -2.23 0.00 0.00 178.31 175.54 3m0w h LEU 46 N -0.61 0.00 -0.86 0.59 -0.00 -1.53 -3.50 115.31 109.39 3m0w h LEU 46 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 3m0w h LEU 46 Cb 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.41 3m0w h LEU 46 CO 0.01 0.91 -0.72 0.61 -0.00 0.00 0.00 178.44 179.25 3m0w n GLY 47 N 1.41 -4.48 3.24 0.83 0.00 0.47 -4.77 105.19 101.88 3m0w n GLY 47 Ca -0.06 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 3m0w n GLY 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3m0w n LYS 48 N -0.30 0.04 -3.68 1.61 4.01 -1.26 -3.91 118.16 114.68 3m0w n LYS 48 Ca 0.00 0.03 -0.25 0.00 -0.51 0.00 0.00 58.31 57.58 3m0w n LYS 48 Cb 0.00 -1.33 0.00 0.00 -0.51 0.00 0.00 35.03 33.20 3m0w n LYS 48 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 3m0w n ARG 49 N 0.87 -1.49 -3.20 1.97 0.63 -1.26 -4.92 116.66 109.25 3m0w n ARG 49 Ca 0.05 0.77 -0.36 0.00 -0.92 0.00 0.00 57.85 57.39 3m0w n ARG 49 Cb 0.52 -2.04 -0.06 0.00 0.45 0.00 0.00 32.46 31.33 3m0w n ARG 49 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3m0w s THR 50 N -2.73 4.68 0.89 5.15 2.01 -1.25 -5.08 115.64 119.31 3m0w s THR 50 Ca 0.05 1.12 -0.15 0.00 0.31 0.00 0.00 61.69 63.01 3m0w s THR 50 Cb -0.00 -3.82 0.22 0.00 0.01 0.00 0.00 72.50 68.90 3m0w s THR 50 CO 0.84 0.25 0.88 -0.90 -0.69 0.00 0.00 174.62 174.99 3m0w n ASP 51 N 0.83 -1.36 0.04 3.53 5.75 -1.26 -4.95 116.55 119.13 3m0w n ASP 51 Ca -0.04 -1.10 -0.11 0.00 -0.01 0.00 0.00 54.79 53.54 3m0w n ASP 51 Cb 0.51 -0.77 -0.13 0.00 -1.03 0.00 0.00 41.12 39.71 3m0w n ASP 51 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 3m0w h GLU 52 N 0.00 0.08 -0.23 0.11 4.81 -1.99 -3.24 114.58 114.13 3m0w h GLU 52 Ca -0.32 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 58.73 3m0w h GLU 52 Cb 0.94 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.37 3m0w h GLU 52 CO 0.21 0.92 -0.03 0.00 -0.73 0.00 0.00 179.01 179.38 3m0w h ALA 53 N 0.84 0.31 -0.30 2.92 0.00 -1.99 -1.18 119.26 119.86 3m0w h ALA 53 Ca -0.15 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 3m0w h ALA 53 Cb 1.91 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 3m0w h ALA 53 CO 0.13 0.08 0.01 0.00 0.00 0.00 0.00 179.25 179.47 3m0w h ALA 54 N 0.77 1.47 -0.35 0.00 0.00 -1.97 -0.05 119.26 119.13 3m0w h ALA 54 Ca 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3m0w h ALA 54 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3m0w h ALA 54 CO 0.02 0.38 0.15 0.74 0.00 0.00 0.00 179.25 180.54 3m0w h PHE 55 N 0.43 0.52 -0.59 0.00 -1.00 -1.52 -2.04 116.94 112.74 3m0w h PHE 55 Ca 0.10 -0.04 -0.04 0.00 2.81 0.00 0.00 57.97 60.80 3m0w h PHE 55 Cb 0.27 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.65 3m0w h PHE 55 CO 0.01 0.48 0.22 0.37 -1.61 0.00 0.00 178.31 177.77 3m0w h GLN 56 N 0.42 0.90 -0.62 1.51 5.75 -0.50 0.24 115.11 122.80 3m0w h GLN 56 Ca 0.12 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 3m0w h GLN 56 Cb 0.17 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3m0w h GLN 56 CO -0.01 0.78 0.36 -0.22 -2.65 0.00 0.00 178.83 177.09 3m0w h LYS 57 N 0.83 0.85 0.11 1.69 3.64 -0.96 -0.12 116.57 122.61 3m0w h LYS 57 Ca 0.20 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3m0w h LYS 57 Cb 0.23 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3m0w h LYS 57 CO -0.01 0.61 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.65 3m0w h LEU 58 N 0.86 -0.13 -1.16 5.20 -0.00 -0.82 -2.40 115.31 116.86 3m0w h LEU 58 Ca 0.22 -0.44 0.25 0.00 -0.00 0.00 0.00 57.88 57.92 3m0w h LEU 58 Cb -0.01 0.03 -0.11 0.00 -0.00 0.00 0.00 40.66 40.57 3m0w h LEU 58 CO -0.04 0.44 0.63 -0.03 -0.00 0.00 0.00 178.44 179.44 3m0w h MET 59 N -0.79 0.51 -0.32 1.13 4.05 -0.40 0.58 114.93 119.69 3m0w h MET 59 Ca -0.02 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.32 3m0w h MET 59 Cb 0.56 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.23 3m0w h MET 59 CO 0.03 0.33 -0.01 1.03 0.23 0.00 0.00 176.91 178.52 3m0w h SER 60 N 0.52 0.56 -0.64 1.39 0.87 -1.03 -2.45 113.55 112.77 3m0w h SER 60 Ca 0.62 -0.32 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 3m0w h SER 60 Cb 1.31 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 3m0w h SER 60 CO -0.39 0.74 0.20 0.78 -0.53 0.00 0.00 176.83 177.64 3m0w h ASN 61 N 0.37 0.96 0.45 6.23 2.35 -0.40 -3.12 115.58 122.41 3m0w h ASN 61 Ca 0.09 -0.17 -0.24 0.00 -0.55 0.00 0.00 56.30 55.43 3m0w h ASN 61 Cb 0.46 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3m0w h ASN 61 CO 0.02 0.90 -1.03 -0.07 -1.65 0.00 0.00 177.43 175.60 3m0w h LEU 62 N 0.99 0.48 -7.20 1.61 3.38 -1.27 -3.38 115.31 109.90 3m0w h LEU 62 Ca 0.22 -0.42 -0.69 0.00 0.09 0.00 0.00 57.88 57.08 3m0w h LEU 62 Cb 0.29 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 3m0w h LEU 62 CO -0.01 1.25 2.48 -0.67 0.09 0.00 0.00 178.44 181.58 3m0w n ASP 63 N -3.67 4.60 0.18 -0.43 2.03 -0.92 -4.75 116.55 113.59 3m0w n ASP 63 Ca -0.07 -2.90 0.05 0.00 0.52 0.00 0.00 54.79 52.39 3m0w n ASP 63 Cb 0.89 -1.71 0.29 0.00 -0.72 0.00 0.00 41.12 39.88 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 6.99 0.00 -0.11 1.67 4.64 -1.79 -2.49 113.55 122.46 3m0w h SER 64 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 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 1.60 0.39 0.00 -0.46 -0.87 0.00 0.00 176.83 177.48 3m0w n ASN 65 N -3.46 1.76 -3.70 4.97 6.94 -1.26 -4.97 115.26 115.54 3m0w n ASN 65 Ca 0.00 -1.65 -0.26 0.00 -0.02 0.00 0.00 54.58 52.65 3m0w n ASN 65 Cb 0.54 -0.06 0.06 0.00 -2.36 0.00 0.00 39.78 37.95 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 0.38 -6.83 -0.65 -3.83 3.00 -0.94 -4.87 116.66 102.92 3m0w n ARG 66 Ca 0.17 0.73 0.09 0.00 -0.01 0.00 0.00 57.85 58.84 3m0w n ARG 66 Cb 0.37 -5.72 0.37 0.00 0.00 0.00 0.00 32.46 27.48 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 -2.91 4.86 -0.04 0.55 5.75 -1.26 -4.93 116.55 118.56 3m0w n ASP 67 Ca 0.02 -2.48 -0.01 0.00 -0.01 0.00 0.00 54.79 52.31 3m0w n ASP 67 Cb 0.55 -0.59 -0.00 0.00 -1.03 0.00 0.00 41.12 40.04 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 1.11 -4.65 -4.03 -1.12 4.05 -1.26 -4.98 115.26 104.37 3m0w n ASN 68 Ca 0.26 0.01 -0.08 0.00 0.45 0.00 0.00 54.58 55.22 3m0w n ASN 68 Cb 0.92 -2.20 -0.09 0.00 1.23 0.00 0.00 39.78 39.64 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 -1.20 0.78 -0.37 1.20 2.02 -1.26 -4.53 118.70 115.34 3m0w s GLU 69 Ca 0.00 -1.20 -0.09 0.00 0.02 0.00 0.00 54.97 53.70 3m0w s GLU 69 Cb 0.00 0.26 0.04 0.00 0.10 0.00 0.00 34.13 34.53 3m0w s GLU 69 CO 0.00 -0.21 0.18 0.08 0.02 0.00 0.00 175.26 175.33 3m0w s VAL 70 N -3.94 4.28 0.80 2.63 1.01 0.17 -4.75 120.40 120.60 3m0w s VAL 70 Ca 0.11 -1.01 -0.10 0.00 0.00 0.00 0.00 61.98 60.98 3m0w s VAL 70 Cb 0.07 -3.42 0.10 0.00 0.00 0.00 0.00 36.38 33.13 3m0w s VAL 70 CO -0.07 -0.24 1.13 1.51 0.00 0.00 0.00 175.10 177.43 3m0w s ASP 71 N 1.55 4.31 0.32 3.32 1.47 -1.26 -0.62 116.67 125.76 3m0w s ASP 71 Ca 0.01 0.46 0.00 0.00 1.18 0.00 0.00 52.55 54.20 3m0w s ASP 71 Cb -0.20 -0.91 0.55 0.00 -0.34 0.00 0.00 42.92 42.02 3m0w s ASP 71 CO 0.05 -1.96 1.98 0.15 0.68 0.00 0.00 175.17 176.06 3m0w h PHE 72 N -0.97 0.93 -0.40 2.11 3.57 -2.00 -0.68 116.94 119.50 3m0w h PHE 72 Ca -0.44 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 3m0w h PHE 72 Cb 1.30 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 3m0w h PHE 72 CO -0.03 0.57 0.13 0.37 -2.23 0.00 0.00 178.31 177.11 3m0w h GLN 73 N 0.99 0.62 -0.64 1.11 4.15 -1.96 -0.14 115.11 119.24 3m0w h GLN 73 Ca 0.29 -0.13 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 3m0w h GLN 73 Cb -0.05 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 3m0w h GLN 73 CO -0.07 0.62 0.21 0.93 -1.93 0.00 0.00 178.83 178.58 3m0w h GLU 74 N 0.50 0.96 -0.27 1.69 5.08 -1.73 -2.47 114.58 118.33 3m0w h GLU 74 Ca 0.13 -0.18 0.02 0.00 -1.00 0.00 0.00 59.36 58.33 3m0w h GLU 74 Cb 0.25 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3m0w h GLU 74 CO -0.00 0.82 0.13 -0.92 -1.00 0.00 0.00 179.01 178.03 3m0w h TYR 75 N 0.93 0.25 -0.64 4.33 3.20 -0.50 -1.67 116.97 122.87 3m0w h TYR 75 Ca 0.21 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.12 3m0w h TYR 75 Cb 0.25 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3m0w h TYR 75 CO 0.02 0.14 0.40 0.00 -1.64 0.00 0.00 178.16 177.07 3m0w h VAL 77 N 0.79 0.92 -0.32 0.00 2.07 -1.17 0.16 116.25 118.70 3m0w h VAL 77 Ca 0.25 -0.13 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3m0w h VAL 77 Cb -0.00 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 3m0w h VAL 77 CO -0.09 0.07 0.08 0.15 0.02 0.00 0.00 177.57 177.80 3m0w h PHE 78 N 0.37 0.14 -0.27 1.57 3.57 -0.55 0.25 116.94 122.03 3m0w h PHE 78 Ca 0.19 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3m0w h PHE 78 Cb 0.14 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3m0w h PHE 78 CO -0.13 0.04 0.08 -0.07 -2.23 0.00 0.00 178.31 176.01 3m0w h LEU 79 N 0.21 0.40 -0.69 0.59 3.38 -0.75 -2.08 115.31 116.36 3m0w h LEU 79 Ca 0.15 -0.21 0.15 0.00 0.09 0.00 0.00 57.88 58.06 3m0w h LEU 79 Cb 0.15 -0.10 -0.12 0.00 0.09 0.00 0.00 40.66 40.67 3m0w h LEU 79 CO -0.18 0.50 -0.05 0.28 0.09 0.00 0.00 178.44 179.08 3m0w h SER 80 N 0.27 -0.41 -0.21 -0.43 0.02 -0.39 0.11 113.55 112.50 3m0w h SER 80 Ca 0.09 0.18 0.06 0.00 -0.84 0.00 0.00 61.79 61.28 3m0w h SER 80 Cb 0.25 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 63.07 3m0w h SER 80 CO -0.00 -0.17 -0.29 0.00 -1.14 0.00 0.00 176.83 175.23 3m0w h ILE 82 N -0.31 0.89 -0.97 0.00 2.04 -0.72 -1.62 117.51 116.82 3m0w h ILE 82 Ca 0.12 -0.12 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3m0w h ILE 82 Cb 0.51 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 3m0w h ILE 82 CO -0.39 0.06 0.62 0.00 0.00 0.00 0.00 178.15 178.44 3m0w h ALA 83 N 1.27 1.33 -0.46 1.87 0.00 -0.07 -0.20 119.26 123.00 3m0w h ALA 83 Ca 0.20 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.16 3m0w h ALA 83 Cb 0.17 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 3m0w h ALA 83 CO -0.19 0.42 0.10 0.52 0.00 0.00 0.00 179.25 180.10 3m0w h MET 84 N 1.14 0.22 0.19 0.00 2.86 0.33 0.55 114.93 120.22 3m0w h MET 84 Ca 0.41 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 58.05 3m0w h MET 84 Cb 0.14 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3m0w h MET 84 CO -0.16 0.15 -0.29 1.98 1.06 0.00 0.00 176.91 179.65 3m0w h MET 85 N 0.23 -0.53 -0.87 1.72 -1.53 -0.22 -2.30 114.93 111.44 3m0w h MET 85 Ca 0.23 0.04 0.09 0.00 -3.44 0.00 0.00 59.70 56.62 3m0w h MET 85 Cb 0.29 0.12 -0.07 0.00 -0.55 0.00 0.00 31.60 31.39 3m0w h MET 85 CO -0.30 -0.35 0.52 0.00 0.14 0.00 0.00 176.91 176.92 3m0w h ASN 87 N 0.88 0.29 -0.61 0.00 -1.24 -0.34 -1.31 115.58 113.25 3m0w h ASN 87 Ca 0.41 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.47 3m0w h ASN 87 Cb 0.34 -0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.29 3m0w h ASN 87 CO -0.23 0.19 0.41 -0.33 -1.29 0.00 0.00 177.43 176.17 3m0w h GLU 88 N 0.33 0.66 -0.91 6.67 4.39 -1.07 -1.52 114.58 123.13 3m0w h GLU 88 Ca 0.21 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.90 3m0w h GLU 88 Cb 0.40 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 28.85 3m0w h GLU 88 CO -0.05 0.43 0.60 0.35 -1.16 0.00 0.00 179.01 179.19 3m0w h PHE 89 N 0.68 1.12 0.00 4.33 3.57 -1.35 -2.39 116.94 122.90 3m0w h PHE 89 Ca 0.25 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 3m0w h PHE 89 Cb 0.15 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 3m0w h PHE 89 CO -0.00 0.66 -0.28 0.74 -2.23 0.00 0.00 178.31 177.20 3m0w h PHE 90 N 1.16 0.00 -0.01 0.41 -1.00 -1.38 -3.53 116.94 112.58 3m0w h PHE 90 Ca 0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.14 3m0w h PHE 90 Cb -0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.54 3m0w h PHE 90 CO -0.00 0.28 0.00 -0.85 -1.61 0.00 0.00 178.31 176.13