#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 7.84 0.67 -0.46 0.00 0.11 -2.05 -0.54 132.00 137.56 3m0w h PRO 4 Ca -0.16 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.79 3m0w h PRO 4 Cb 1.05 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 3m0w h PRO 4 CO 0.45 0.44 -0.17 1.25 -0.21 0.00 0.00 178.00 179.75 3m0w h LEU 5 N 0.69 0.92 -0.45 2.35 5.85 -1.99 0.31 115.31 122.99 3m0w h LEU 5 Ca 0.51 -0.32 -0.14 0.00 0.84 0.00 0.00 57.88 58.77 3m0w h LEU 5 Cb 0.75 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3m0w h LEU 5 CO -0.37 1.07 -0.28 -0.33 -0.34 0.00 0.00 178.44 178.19 3m0w h GLU 6 N 0.80 0.97 -0.47 1.25 5.08 -1.81 -2.26 114.58 118.13 3m0w h GLU 6 Ca 0.12 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 57.96 3m0w h GLU 6 Cb 0.72 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 3m0w h GLU 6 CO 0.06 1.12 0.04 -0.22 -1.00 0.00 0.00 179.01 179.01 3m0w h LYS 7 N 0.82 0.76 -0.38 2.33 3.64 -0.71 -1.44 116.57 121.59 3m0w h LYS 7 Ca 0.09 -0.18 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3m0w h LYS 7 Cb 0.86 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.56 3m0w h LYS 7 CO 0.08 0.74 0.23 0.00 -2.27 0.00 0.00 179.45 178.23 3m0w h ALA 8 N 1.33 0.48 -0.77 5.00 0.00 -0.19 -0.10 119.26 125.01 3m0w h ALA 8 Ca 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3m0w h ALA 8 Cb 0.38 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3m0w h ALA 8 CO 0.01 -0.09 0.38 -0.07 0.00 0.00 0.00 179.25 179.47 3m0w h LEU 9 N 0.48 0.99 -0.05 0.00 3.38 -0.95 -0.16 115.31 119.01 3m0w h LEU 9 Ca 0.15 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.04 3m0w h LEU 9 Cb -0.02 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.44 3m0w h LEU 9 CO -0.06 0.83 -0.16 -0.78 0.09 0.00 0.00 178.44 178.37 3m0w h ASP 10 N 1.09 -0.47 -0.40 -0.43 1.82 -0.82 -1.71 116.42 115.49 3m0w h ASP 10 Ca 0.27 0.08 -0.01 0.00 -0.39 0.00 0.00 57.03 56.97 3m0w h ASP 10 Cb 0.10 0.21 -0.02 0.00 0.68 0.00 0.00 39.33 40.29 3m0w h ASP 10 CO -0.04 -0.21 0.23 0.58 -1.61 0.00 0.00 179.24 178.19 3m0w h VAL 11 N -0.24 1.13 -0.46 2.25 2.07 -0.03 0.11 116.25 121.08 3m0w h VAL 11 Ca 0.07 -0.34 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 3m0w h VAL 11 Cb 0.33 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3m0w h VAL 11 CO -0.19 0.15 -0.19 0.24 0.02 0.00 0.00 177.57 177.60 3m0w h MET 12 N 0.59 0.94 0.10 1.57 2.86 -0.61 -2.10 114.93 118.28 3m0w h MET 12 Ca 0.15 -0.40 -0.17 0.00 -2.06 0.00 0.00 59.70 57.23 3m0w h MET 12 Cb 0.02 -0.04 0.02 0.00 0.06 0.00 0.00 31.60 31.66 3m0w h MET 12 CO -0.03 1.06 -0.72 0.28 1.06 0.00 0.00 176.91 178.56 3m0w h VAL 13 N 0.79 1.50 -0.39 -2.22 2.07 -0.74 -3.23 116.25 114.04 3m0w h VAL 13 Ca 0.11 -2.41 -0.01 0.00 0.82 0.00 0.00 66.70 65.21 3m0w h VAL 13 Cb 0.76 3.06 -0.02 0.00 -1.52 0.00 0.00 31.29 33.57 3m0w h VAL 13 CO 0.06 0.68 0.19 0.28 0.02 0.00 0.00 177.57 178.81 3m0w h SER 14 N -0.33 0.50 -0.82 0.57 0.02 -0.87 -2.89 113.55 109.74 3m0w h SER 14 Ca -0.12 -0.12 0.06 0.00 -0.84 0.00 0.00 61.79 60.78 3m0w h SER 14 Cb 1.53 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.88 3m0w h SER 14 CO 0.14 0.48 0.50 0.74 -1.14 0.00 0.00 176.83 177.54 3m0w h THR 15 N 0.49 1.01 -0.46 -2.27 2.02 -1.50 -0.11 112.91 112.09 3m0w h THR 15 Ca 0.13 -0.31 0.04 0.00 0.77 0.00 0.00 66.41 67.05 3m0w h THR 15 Cb 0.11 0.04 -0.04 0.00 -1.74 0.00 0.00 68.15 66.51 3m0w h THR 15 CO -0.02 0.16 0.22 0.15 0.37 0.00 0.00 175.52 176.40 3m0w h PHE 16 N 0.90 0.40 0.00 3.16 3.57 -1.52 -2.06 116.94 121.38 3m0w h PHE 16 Ca 0.36 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.88 3m0w h PHE 16 Cb 0.20 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.82 3m0w h PHE 16 CO -0.04 0.19 0.00 0.45 -2.23 0.00 0.00 178.31 176.68 3m0w h HIS 17 N 0.43 0.00 0.00 0.41 3.86 -1.24 -2.18 115.15 116.43 3m0w h HIS 17 Ca 0.20 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.38 3m0w h HIS 17 Cb 0.13 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3m0w h HIS 17 CO -0.11 0.00 -0.17 -0.22 0.86 0.00 0.00 177.93 178.29 3m0w h LYS 18 N 0.00 0.00 0.00 2.45 3.64 -0.30 -3.20 116.57 119.16 3m0w h LYS 18 Ca 0.00 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 3m0w h LYS 18 Cb 0.78 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 3m0w h LYS 18 CO 0.00 0.17 -1.78 0.66 -2.27 0.00 0.00 179.45 176.23 3m0w n TYR 19 N -3.92 0.00 0.06 1.91 4.01 -1.14 -4.63 117.16 113.46 3m0w n TYR 19 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 3m0w n TYR 19 Cb 0.26 -0.56 0.17 0.00 -0.31 0.00 0.00 39.34 38.91 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 0.36 -0.09 7.72 4.64 -1.47 -3.07 113.55 121.64 3m0w h SER 20 Ca -0.31 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3m0w h SER 20 Cb 1.68 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 3m0w h SER 20 CO 0.01 0.75 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 3m0w n GLY 21 N -0.07 -0.51 0.11 -0.77 0.00 -1.12 -4.07 105.19 98.76 3m0w n GLY 21 Ca -0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 0.70 0.25 -4.70 1.61 1.57 -1.80 -3.47 116.57 110.74 3m0w h LYS 22 Ca 0.00 -0.23 -0.25 0.00 -1.87 0.00 0.00 60.65 58.30 3m0w h LYS 22 Cb 0.16 0.06 -0.15 0.00 0.08 0.00 0.00 32.23 32.38 3m0w h LYS 22 CO 0.00 0.91 -0.68 -1.21 -0.57 0.00 0.00 179.45 177.90 3m0w s GLU 23 N -3.41 0.95 3.94 3.15 2.02 -1.26 -5.10 118.70 118.99 3m0w s GLU 23 Ca -0.15 -1.42 0.00 0.00 0.02 0.00 0.00 54.97 53.42 3m0w s GLU 23 Cb 0.02 -0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.05 3m0w s GLU 23 CO 0.76 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 176.37 3m0w n GLY 24 N -0.12 2.48 3.68 -1.39 0.00 -1.26 -4.36 105.19 104.23 3m0w n GLY 24 Ca -0.10 -0.29 -0.44 0.00 0.00 0.00 0.00 46.02 45.19 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 0.47 3.66 0.09 1.61 -0.08 -1.26 -4.84 116.55 116.19 3m0w n ASP 25 Ca 0.00 1.02 0.12 0.00 -1.51 0.00 0.00 54.79 54.42 3m0w n ASP 25 Cb 0.00 -1.48 0.45 0.00 2.34 0.00 0.00 41.12 42.43 3m0w n ASP 25 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3m0w n LYS 26 N 5.11 0.17 -0.28 -0.67 4.76 -1.26 -3.24 118.16 122.75 3m0w n LYS 26 Ca 0.18 0.27 0.08 0.00 -2.87 0.00 0.00 58.31 55.97 3m0w n LYS 26 Cb 0.33 -1.75 0.20 0.00 -1.84 0.00 0.00 35.03 31.97 3m0w n LYS 26 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 3m0w n PHE 27 N -2.06 0.56 -3.97 2.13 3.72 -1.26 -2.78 117.46 113.79 3m0w n PHE 27 Ca 0.04 -0.84 -0.08 0.00 -0.05 0.00 0.00 57.45 56.52 3m0w n PHE 27 Cb 0.31 -0.22 -0.09 0.00 -0.94 0.00 0.00 39.48 38.54 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 -2.49 0.62 -0.28 -1.08 1.02 -1.20 -4.33 119.74 112.00 3m0w s LYS 28 Ca 0.34 -0.93 -0.10 0.00 0.02 0.00 0.00 55.97 55.31 3m0w s LYS 28 Cb 0.27 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.79 3m0w s LYS 28 CO 0.07 -0.15 0.14 -0.51 -0.92 0.00 0.00 175.35 173.99 3m0w s LEU 29 N -2.47 3.84 0.72 3.17 1.43 0.94 -4.60 118.68 121.71 3m0w s LEU 29 Ca -0.00 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 52.83 3m0w s LEU 29 Cb 0.02 -2.03 0.05 0.00 0.03 0.00 0.00 46.19 44.26 3m0w s LEU 29 CO -0.07 -0.07 1.06 0.54 0.23 0.00 0.00 176.35 178.03 3m0w s ASN 30 N 1.68 4.94 0.25 2.29 2.20 -1.26 -0.91 114.94 124.13 3m0w s ASN 30 Ca 0.06 0.69 -0.13 0.00 -0.94 0.00 0.00 52.86 52.54 3m0w s ASN 30 Cb -0.16 -1.37 0.33 0.00 -2.00 0.00 0.00 41.25 38.05 3m0w s ASN 30 CO 0.08 -1.56 1.57 0.50 -2.94 0.00 0.00 177.10 174.74 3m0w h LYS 31 N -0.67 -0.02 -0.07 3.55 1.63 -1.99 0.66 116.57 119.66 3m0w h LYS 31 Ca -0.45 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.35 3m0w h LYS 31 Cb 1.30 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.93 3m0w h LYS 31 CO 0.62 -0.01 0.04 1.03 -3.45 0.00 0.00 179.45 177.68 3m0w h SER 32 N -0.02 0.09 0.01 4.20 0.87 -1.98 -0.76 113.55 115.96 3m0w h SER 32 Ca 0.39 -0.08 -0.10 0.00 -1.23 0.00 0.00 61.79 60.77 3m0w h SER 32 Cb 0.64 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 3m0w h SER 32 CO -0.94 0.15 -0.31 -0.33 -0.53 0.00 0.00 176.83 174.86 3m0w h GLU 33 N 0.03 0.44 -0.54 2.24 5.08 -1.50 -1.90 114.58 118.43 3m0w h GLU 33 Ca 0.03 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 3m0w h GLU 33 Cb 0.07 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3m0w h GLU 33 CO -0.00 0.71 0.13 1.25 -1.00 0.00 0.00 179.01 180.09 3m0w h LEU 34 N 0.38 0.78 -0.75 1.33 5.85 -0.78 -1.81 115.31 120.31 3m0w h LEU 34 Ca 0.05 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.57 3m0w h LEU 34 Cb 0.74 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3m0w h LEU 34 CO 0.06 0.77 0.25 0.50 -0.34 0.00 0.00 178.44 179.67 3m0w h LYS 35 N 0.80 1.16 0.09 1.25 3.64 -0.37 -1.29 116.57 121.85 3m0w h LYS 35 Ca 0.18 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3m0w h LYS 35 Cb 0.30 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3m0w h LYS 35 CO -0.00 0.98 -0.05 0.93 -2.27 0.00 0.00 179.45 179.04 3m0w h GLU 36 N 1.11 -0.12 -0.17 1.90 5.08 -1.18 -1.64 114.58 119.56 3m0w h GLU 36 Ca 0.24 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.66 3m0w h GLU 36 Cb 0.29 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 3m0w h GLU 36 CO -0.01 0.12 -0.14 1.25 -1.00 0.00 0.00 179.01 179.23 3m0w h LEU 37 N -0.36 -0.46 -0.53 1.33 6.46 -1.17 0.22 115.31 120.79 3m0w h LEU 37 Ca -0.01 0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 3m0w h LEU 37 Cb 0.30 0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 3m0w h LEU 37 CO 0.02 -0.19 0.30 -0.07 -0.62 0.00 0.00 178.44 177.88 3m0w h LEU 38 N -0.16 0.66 -0.07 2.25 3.38 -1.25 0.43 115.31 120.55 3m0w h LEU 38 Ca 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3m0w h LEU 38 Cb 0.32 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3m0w h LEU 38 CO -0.26 0.55 0.01 0.74 0.09 0.00 0.00 178.44 179.57 3m0w h THR 39 N 0.71 1.23 0.00 0.22 2.02 -0.67 -1.28 112.91 115.14 3m0w h THR 39 Ca 0.19 -0.71 -0.12 0.00 0.77 0.00 0.00 66.41 66.53 3m0w h THR 39 Cb 0.03 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3m0w h THR 39 CO -0.03 0.20 -0.71 0.03 0.37 0.00 0.00 175.52 175.38 3m0w h ARG 40 N -0.14 0.00 0.00 6.66 3.08 -0.53 -3.36 114.38 120.10 3m0w h ARG 40 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3m0w h ARG 40 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3m0w h ARG 40 CO 0.00 0.47 -0.80 0.39 -1.07 0.00 0.00 179.97 178.97 3m0w n GLU 41 N -3.16 1.93 -2.79 0.04 -0.58 0.15 -4.76 120.64 111.47 3m0w n GLU 41 Ca -0.00 -0.01 -0.11 0.00 -0.42 0.00 0.00 57.16 56.61 3m0w n GLU 41 Cb 0.76 -0.92 0.02 0.00 -0.57 0.00 0.00 31.44 30.73 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 -1.42 1.21 0.25 -4.62 4.77 -0.50 -4.94 117.00 111.76 3m0w n LEU 42 Ca -0.00 -4.01 0.10 0.00 -0.03 0.00 0.00 56.01 52.06 3m0w n LEU 42 Cb 0.05 0.49 0.65 0.00 -2.33 0.00 0.00 43.42 42.28 3m0w n LEU 42 CO 0.04 1.74 0.96 1.55 -1.33 0.00 0.00 177.39 180.35 3m0w h PRO 43 N 2.98 0.00 -0.23 3.23 0.13 -1.67 -1.85 132.00 134.59 3m0w h PRO 43 Ca -0.06 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 3m0w h PRO 43 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3m0w h PRO 43 CO 0.49 0.14 -0.32 0.77 -0.23 0.00 0.00 178.00 178.85 3m0w h SER 44 N 0.00 0.49 -0.04 1.44 0.02 -1.88 -1.06 113.55 112.51 3m0w h SER 44 Ca -0.00 -0.18 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 3m0w h SER 44 Cb 0.29 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3m0w h SER 44 CO 0.02 0.78 -0.07 0.15 -1.14 0.00 0.00 176.83 176.56 3m0w h PHE 45 N 0.41 0.15 0.00 3.45 3.57 -1.70 -3.18 116.94 119.63 3m0w h PHE 45 Ca 0.05 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 3m0w h PHE 45 Cb 0.76 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3m0w h PHE 45 CO 0.02 0.66 -0.29 -0.07 -2.23 0.00 0.00 178.31 176.40 3m0w h LEU 46 N -0.41 0.00 0.00 0.59 3.38 -1.53 -3.49 115.31 113.85 3m0w h LEU 46 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3m0w h LEU 46 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3m0w h LEU 46 CO 0.02 0.29 0.00 0.61 0.09 0.00 0.00 178.44 179.44 3m0w n GLY 47 N 0.40 0.88 3.28 0.83 0.00 -0.40 -4.76 105.19 105.40 3m0w n GLY 47 Ca 0.01 -0.69 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 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 3.24 -1.04 1.61 -0.14 -1.26 -4.79 119.74 117.35 3m0w s LYS 48 Ca 0.00 -0.74 -0.13 0.00 -1.36 0.00 0.00 55.97 53.74 3m0w s LYS 48 Cb 0.00 -2.63 -0.03 0.00 -1.68 0.00 0.00 37.83 33.50 3m0w s LYS 48 CO 0.00 0.04 0.81 0.54 -0.76 0.00 0.00 175.35 175.99 3m0w n ARG 49 N 3.98 -1.56 -2.19 1.68 1.74 -1.26 -4.94 116.66 114.12 3m0w n ARG 49 Ca -0.19 0.74 -0.34 0.00 -0.77 0.00 0.00 57.85 57.29 3m0w n ARG 49 Cb 0.52 -4.74 0.00 0.00 -1.02 0.00 0.00 32.46 27.22 3m0w n ARG 49 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3m0w s THR 50 N -3.35 3.54 0.78 0.55 2.01 -1.26 -5.01 115.64 112.90 3m0w s THR 50 Ca 0.38 0.85 -0.13 0.00 0.31 0.00 0.00 61.69 63.10 3m0w s THR 50 Cb -0.10 -3.33 0.06 0.00 0.01 0.00 0.00 72.50 69.14 3m0w s THR 50 CO 0.81 -0.32 1.16 1.51 -0.69 0.00 0.00 174.62 177.10 3m0w s ASP 51 N -2.27 4.02 0.58 3.53 3.84 -1.26 -4.90 116.67 120.21 3m0w s ASP 51 Ca 0.67 2.19 0.30 0.00 -0.00 0.00 0.00 52.55 55.72 3m0w s ASP 51 Cb -0.19 -2.57 1.78 0.00 -1.38 0.00 0.00 42.92 40.57 3m0w s ASP 51 CO 0.30 -2.37 2.23 -0.08 -0.00 0.00 0.00 175.17 175.25 3m0w h GLU 52 N -0.79 0.00 -0.20 2.11 4.57 -2.00 -2.83 114.58 115.45 3m0w h GLU 52 Ca -0.46 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 57.62 3m0w h GLU 52 Cb 1.27 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 3m0w h GLU 52 CO 0.48 0.02 -0.29 0.00 -1.18 0.00 0.00 179.01 178.05 3m0w h ALA 53 N 1.98 0.31 -0.45 2.92 0.00 -1.99 -1.74 119.26 120.28 3m0w h ALA 53 Ca -0.00 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3m0w h ALA 53 Cb 0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3m0w h ALA 53 CO 0.00 0.32 0.15 0.00 0.00 0.00 0.00 179.25 179.72 3m0w h ALA 54 N 0.62 1.42 -0.46 0.00 0.00 -1.87 -0.75 119.26 118.22 3m0w h ALA 54 Ca 0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3m0w h ALA 54 Cb 0.86 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3m0w h ALA 54 CO 0.07 0.43 0.25 0.74 0.00 0.00 0.00 179.25 180.75 3m0w h PHE 55 N 0.65 0.62 -0.27 0.00 -1.00 -1.42 -1.93 116.94 113.59 3m0w h PHE 55 Ca 0.15 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.90 3m0w h PHE 55 Cb 0.18 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 3m0w h PHE 55 CO 0.01 0.46 0.11 0.37 -1.61 0.00 0.00 178.31 177.65 3m0w h GLN 56 N 0.60 0.41 -0.87 1.51 5.75 -0.65 0.25 115.11 122.11 3m0w h GLN 56 Ca 0.16 -0.07 0.10 0.00 -0.15 0.00 0.00 58.65 58.69 3m0w h GLN 56 Cb 0.04 -0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.45 3m0w h GLN 56 CO -0.03 0.43 0.51 -0.22 -2.65 0.00 0.00 178.83 176.87 3m0w h LYS 57 N 0.29 0.80 -0.05 1.69 1.63 -1.09 0.14 116.57 119.98 3m0w h LYS 57 Ca 0.09 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3m0w h LYS 57 Cb 0.18 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 3m0w h LYS 57 CO -0.01 0.53 -0.01 1.25 -3.45 0.00 0.00 179.45 177.76 3m0w h LEU 58 N 0.83 0.09 -1.13 5.20 5.85 -0.80 -1.21 115.31 124.14 3m0w h LEU 58 Ca 0.43 -0.38 0.12 0.00 0.84 0.00 0.00 57.88 58.89 3m0w h LEU 58 Cb 0.41 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 41.34 3m0w h LEU 58 CO -0.26 0.45 0.60 -0.03 -0.34 0.00 0.00 178.44 178.87 3m0w h MET 59 N -0.27 0.85 -0.06 1.25 4.05 -0.08 -0.94 114.93 119.74 3m0w h MET 59 Ca 0.01 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3m0w h MET 59 Cb 0.41 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 31.02 3m0w h MET 59 CO 0.01 0.56 0.01 1.03 0.23 0.00 0.00 176.91 178.75 3m0w h SER 60 N 0.88 0.09 -0.53 1.39 0.87 -0.62 -2.17 113.55 113.47 3m0w h SER 60 Ca 0.47 -0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 3m0w h SER 60 Cb 0.55 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.46 3m0w h SER 60 CO -0.23 0.32 0.32 0.78 -0.53 0.00 0.00 176.83 177.50 3m0w h ASN 61 N -0.14 0.64 0.89 6.23 2.35 -0.05 -2.92 115.58 122.57 3m0w h ASN 61 Ca 0.02 -0.03 -0.22 0.00 -0.55 0.00 0.00 56.30 55.51 3m0w h ASN 61 Cb 0.27 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.45 3m0w h ASN 61 CO 0.00 0.49 -1.16 -0.07 -1.65 0.00 0.00 177.43 175.04 3m0w h LEU 62 N 0.74 0.00 -7.13 1.61 3.38 -1.17 -3.39 115.31 109.35 3m0w h LEU 62 Ca 0.20 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.43 3m0w h LEU 62 Cb -0.03 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.57 3m0w h LEU 62 CO -0.04 0.96 1.83 -0.67 0.09 0.00 0.00 178.44 180.62 3m0w n ASP 63 N -3.25 5.04 0.16 -0.43 2.03 -0.82 -4.78 116.55 114.50 3m0w n ASP 63 Ca -0.04 -3.01 0.02 0.00 0.52 0.00 0.00 54.79 52.28 3m0w n ASP 63 Cb 0.95 -1.56 0.35 0.00 -0.72 0.00 0.00 41.12 40.15 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 6.57 0.07 -0.32 1.67 4.64 -1.78 -2.19 113.55 122.22 3m0w h SER 64 Ca 0.38 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 3m0w h SER 64 Cb 0.76 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3m0w h SER 64 CO 1.46 0.40 0.00 -0.46 -0.87 0.00 0.00 176.83 177.36 3m0w n ASN 65 N -4.13 1.83 -1.90 4.97 6.94 -1.26 -4.95 115.26 116.77 3m0w n ASN 65 Ca -0.02 -1.95 -0.16 0.00 -0.02 0.00 0.00 54.58 52.44 3m0w n ASN 65 Cb 0.38 -0.21 -0.04 0.00 -2.36 0.00 0.00 39.78 37.55 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 0.49 -1.65 -0.49 -3.83 1.74 -0.82 -4.84 116.66 107.26 3m0w n ARG 66 Ca 0.12 0.85 0.04 0.00 -0.77 0.00 0.00 57.85 58.10 3m0w n ARG 66 Cb 0.30 -5.30 0.22 0.00 -1.02 0.00 0.00 32.46 26.67 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 -1.29 3.57 -0.08 0.55 5.75 -1.26 -4.90 116.55 118.89 3m0w n ASP 67 Ca -0.17 -2.49 -0.01 0.00 -0.01 0.00 0.00 54.79 52.10 3m0w n ASP 67 Cb 0.57 -0.59 -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 -3.20 -0.11 0.00 0.00 177.20 173.89 3m0w n ASN 68 N 0.36 -5.04 -3.98 -1.12 5.15 -1.26 -4.97 115.26 104.41 3m0w n ASN 68 Ca 0.15 0.03 -0.08 0.00 -0.60 0.00 0.00 54.58 54.08 3m0w n ASN 68 Cb 0.76 -2.64 -0.09 0.00 -0.53 0.00 0.00 39.78 37.28 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 -1.52 0.65 -0.33 1.20 2.02 -1.26 -4.49 118.70 114.97 3m0w s GLU 69 Ca 0.00 -1.00 -0.10 0.00 0.02 0.00 0.00 54.97 53.89 3m0w s GLU 69 Cb 0.00 0.25 -0.00 0.00 0.10 0.00 0.00 34.13 34.47 3m0w s GLU 69 CO 0.00 -0.16 0.17 0.08 0.02 0.00 0.00 175.26 175.38 3m0w s VAL 70 N -3.43 4.68 0.80 2.63 1.01 -0.09 -4.75 120.40 121.24 3m0w s VAL 70 Ca 0.02 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 3m0w s VAL 70 Cb 0.04 -3.43 0.16 0.00 0.00 0.00 0.00 36.38 33.14 3m0w s VAL 70 CO -0.08 -0.00 1.10 1.51 0.00 0.00 0.00 175.10 177.62 3m0w s ASP 71 N 1.61 3.93 0.35 3.32 -4.77 -1.26 -0.04 116.67 119.81 3m0w s ASP 71 Ca 0.04 -0.24 0.08 0.00 -3.30 0.00 0.00 52.55 49.13 3m0w s ASP 71 Cb -0.17 -0.00 0.65 0.00 -1.09 0.00 0.00 42.92 42.30 3m0w s ASP 71 CO 0.07 -2.16 1.83 0.15 0.70 0.00 0.00 175.17 175.76 3m0w h PHE 72 N -0.87 0.29 -0.26 2.11 3.57 -1.99 0.41 116.94 120.19 3m0w h PHE 72 Ca -0.38 -0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.01 3m0w h PHE 72 Cb 1.25 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 3m0w h PHE 72 CO -0.52 0.47 -0.08 0.37 -2.23 0.00 0.00 178.31 176.32 3m0w h GLN 73 N 0.24 0.51 -0.13 1.11 4.15 -1.96 -1.05 115.11 117.98 3m0w h GLN 73 Ca 0.04 -0.20 -0.07 0.00 0.77 0.00 0.00 58.65 59.19 3m0w h GLN 73 Cb 0.53 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 3m0w h GLN 73 CO 0.04 0.74 -0.25 0.93 -1.93 0.00 0.00 178.83 178.35 3m0w h GLU 74 N 0.25 0.23 -0.19 1.69 5.08 -1.74 -2.31 114.58 117.58 3m0w h GLU 74 Ca 0.06 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3m0w h GLU 74 Cb 0.56 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 3m0w h GLU 74 CO 0.03 0.47 0.10 -0.92 -1.00 0.00 0.00 179.01 177.69 3m0w h TYR 75 N 0.21 0.26 -0.68 4.33 3.20 -0.63 -2.44 116.97 121.21 3m0w h TYR 75 Ca 0.03 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.92 3m0w h TYR 75 Cb 0.56 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.71 3m0w h TYR 75 CO 0.01 0.24 0.43 0.00 -1.64 0.00 0.00 178.16 177.21 3m0w h VAL 77 N 0.87 1.12 -0.11 0.00 2.07 -1.34 0.99 116.25 119.85 3m0w h VAL 77 Ca 0.26 -0.30 0.02 0.00 0.82 0.00 0.00 66.70 67.50 3m0w h VAL 77 Cb -0.03 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 3m0w h VAL 77 CO -0.09 0.16 0.00 0.15 0.02 0.00 0.00 177.57 177.82 3m0w h PHE 78 N 0.86 0.00 -0.65 1.57 3.57 -0.82 0.74 116.94 122.21 3m0w h PHE 78 Ca 0.26 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.70 3m0w h PHE 78 Cb -0.03 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.70 3m0w h PHE 78 CO -0.04 -0.01 0.13 -0.07 -2.23 0.00 0.00 178.31 176.10 3m0w h LEU 79 N 0.04 1.01 -0.55 0.59 3.38 -0.30 -1.56 115.31 117.93 3m0w h LEU 79 Ca 0.05 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3m0w h LEU 79 Cb 0.06 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3m0w h LEU 79 CO -0.08 1.00 0.35 0.28 0.09 0.00 0.00 178.44 180.08 3m0w h SER 80 N 0.98 0.60 -0.44 -0.43 0.02 -0.61 0.61 113.55 114.27 3m0w h SER 80 Ca 0.20 -0.01 0.09 0.00 -0.84 0.00 0.00 61.79 61.23 3m0w h SER 80 Cb 0.40 -0.14 -0.09 0.00 0.14 0.00 0.00 62.40 62.71 3m0w h SER 80 CO 0.01 0.43 -0.17 0.00 -1.14 0.00 0.00 176.83 175.95 3m0w h ILE 82 N -0.08 0.94 -0.51 0.00 2.04 -0.50 -2.10 117.51 117.29 3m0w h ILE 82 Ca 0.21 -0.04 0.10 0.00 1.00 0.00 0.00 64.86 66.13 3m0w h ILE 82 Cb 0.41 0.79 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 3m0w h ILE 82 CO -0.50 0.02 0.03 0.00 0.00 0.00 0.00 178.15 177.71 3m0w h ALA 83 N 1.12 0.52 -0.50 1.87 0.00 -0.04 -0.77 119.26 121.47 3m0w h ALA 83 Ca 0.08 0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.23 3m0w h ALA 83 Cb 0.06 0.23 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 3m0w h ALA 83 CO -0.10 -0.36 -0.20 0.52 0.00 0.00 0.00 179.25 179.11 3m0w h MET 84 N 0.15 -0.09 -0.35 0.00 2.86 0.43 0.11 114.93 118.05 3m0w h MET 84 Ca 0.26 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.96 3m0w h MET 84 Cb 0.39 0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 3m0w h MET 84 CO -0.40 -0.06 0.03 0.52 1.06 0.00 0.00 176.91 178.06 3m0w h MET 85 N -0.09 0.13 -0.88 1.72 2.07 -0.58 -1.91 114.93 115.39 3m0w h MET 85 Ca 0.23 -0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.89 3m0w h MET 85 Cb 0.45 -0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 30.10 3m0w h MET 85 CO -0.56 0.09 0.57 0.00 1.07 0.00 0.00 176.91 178.08 3m0w h ASN 87 N 1.12 0.00 0.08 0.00 -1.24 -0.08 -0.66 115.58 114.81 3m0w h ASN 87 Ca 0.35 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.34 3m0w h ASN 87 Cb -0.01 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.04 3m0w h ASN 87 CO -0.11 0.07 -0.08 -0.33 -1.29 0.00 0.00 177.43 175.68 3m0w h GLU 88 N 0.00 0.00 -0.49 6.67 5.08 -0.90 -1.96 114.58 122.99 3m0w h GLU 88 Ca -0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3m0w h GLU 88 Cb 0.12 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 3m0w h GLU 88 CO 0.01 0.08 0.23 0.35 -1.00 0.00 0.00 179.01 178.68 3m0w h PHE 89 N 0.00 0.72 -0.20 4.33 3.57 -1.19 0.58 116.94 124.75 3m0w h PHE 89 Ca -0.00 -0.04 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 3m0w h PHE 89 Cb 0.15 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3m0w h PHE 89 CO 0.00 0.57 -0.36 0.74 -2.23 0.00 0.00 178.31 177.04 3m0w h PHE 90 N 0.65 0.50 -0.73 0.41 -1.00 -1.45 -3.16 116.94 112.16 3m0w h PHE 90 Ca 0.17 -0.13 -0.40 0.00 2.81 0.00 0.00 57.97 60.42 3m0w h PHE 90 Cb 0.13 -0.11 -0.14 0.00 3.61 0.00 0.00 35.95 39.43 3m0w h PHE 90 CO -0.01 0.74 0.16 0.39 -1.61 0.00 0.00 178.31 177.98 3m0w n GLU 91 N -4.06 2.26 -0.54 1.51 1.02 -0.90 -4.79 120.64 115.15 3m0w n GLU 91 Ca -0.01 -1.91 0.00 0.00 -0.02 0.00 0.00 57.16 55.22 3m0w n GLU 91 Cb 0.47 -2.08 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 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 1.35 0.00 3.08 0.62 0.00 -1.19 -3.06 105.19 105.98 3m0w n GLY 92 Ca 0.46 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.25 -2.96 1.99 1.61 3.72 0.18 -5.02 117.46 115.73 3m0w n PHE 93 Ca 0.00 1.12 0.16 0.00 -0.05 0.00 0.00 57.45 58.68 3m0w n PHE 93 Cb 0.19 -4.10 0.95 0.00 -0.94 0.00 0.00 39.48 35.57 3m0w n PHE 93 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36