#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 6.57 -0.01 -0.65 0.00 0.11 -2.05 0.59 132.00 136.56 3m0w h PRO 4 Ca 0.05 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.20 3m0w h PRO 4 Cb 0.92 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.99 3m0w h PRO 4 CO 0.44 -0.00 0.38 1.25 -0.21 0.00 0.00 178.00 179.86 3m0w h LEU 5 N -0.01 0.60 -0.99 2.35 5.85 -1.98 0.64 115.31 121.77 3m0w h LEU 5 Ca 0.38 0.01 -0.10 0.00 0.84 0.00 0.00 57.88 59.01 3m0w h LEU 5 Cb 0.58 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3m0w h LEU 5 CO -0.82 0.41 -0.34 -0.33 -0.34 0.00 0.00 178.44 177.02 3m0w h GLU 6 N 0.73 0.30 -0.11 1.25 5.08 -1.58 -0.89 114.58 119.36 3m0w h GLU 6 Ca 0.28 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.38 3m0w h GLU 6 Cb 0.10 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3m0w h GLU 6 CO -0.14 0.61 -0.49 -0.22 -1.00 0.00 0.00 179.01 177.77 3m0w h LYS 7 N 0.26 0.30 -0.44 2.33 3.64 0.89 -2.37 116.57 121.18 3m0w h LYS 7 Ca 0.03 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.13 3m0w h LYS 7 Cb 0.73 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3m0w h LYS 7 CO 0.06 0.72 -0.19 0.00 -2.27 0.00 0.00 179.45 177.77 3m0w h ALA 8 N 1.25 0.84 -0.04 5.00 0.00 0.15 -0.36 119.26 126.11 3m0w h ALA 8 Ca 0.01 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 3m0w h ALA 8 Cb 0.95 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3m0w h ALA 8 CO 0.08 0.64 -0.32 -0.07 0.00 0.00 0.00 179.25 179.58 3m0w h LEU 9 N 0.75 0.07 -0.02 0.00 3.38 -1.06 -1.45 115.31 116.98 3m0w h LEU 9 Ca 0.11 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3m0w h LEU 9 Cb 0.72 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 3m0w h LEU 9 CO 0.06 0.39 -0.02 -0.78 0.09 0.00 0.00 178.44 178.17 3m0w h ASP 10 N 0.07 0.06 -0.98 -0.43 3.58 -0.83 -2.50 116.42 115.39 3m0w h ASP 10 Ca 0.01 -0.51 0.09 0.00 0.42 0.00 0.00 57.03 57.04 3m0w h ASP 10 Cb 0.60 -0.02 -0.07 0.00 1.72 0.00 0.00 39.33 41.56 3m0w h ASP 10 CO 0.04 0.55 0.62 0.58 -2.88 0.00 0.00 179.24 178.15 3m0w h VAL 11 N -0.44 1.01 -0.76 2.25 2.07 -0.89 0.03 116.25 119.52 3m0w h VAL 11 Ca 0.00 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 3m0w h VAL 11 Cb 0.54 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 3m0w h VAL 11 CO 0.01 0.19 0.36 0.24 0.02 0.00 0.00 177.57 178.39 3m0w h MET 12 N 1.06 1.10 0.09 1.57 2.86 -1.13 -0.77 114.93 119.71 3m0w h MET 12 Ca 0.45 -0.16 -0.14 0.00 -2.06 0.00 0.00 59.70 57.78 3m0w h MET 12 Cb 0.30 -0.20 0.02 0.00 0.06 0.00 0.00 31.60 31.77 3m0w h MET 12 CO -0.21 0.85 -0.61 0.28 1.06 0.00 0.00 176.91 178.28 3m0w h VAL 13 N 1.07 1.55 -0.62 -2.22 2.07 -1.06 -3.19 116.25 113.85 3m0w h VAL 13 Ca 0.26 -2.39 -0.10 0.00 0.82 0.00 0.00 66.70 65.30 3m0w h VAL 13 Cb 0.12 3.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 3m0w h VAL 13 CO -0.03 0.67 0.02 0.28 0.02 0.00 0.00 177.57 178.52 3m0w h SER 14 N -0.44 1.06 -0.75 0.57 0.02 -1.00 -2.96 113.55 110.05 3m0w h SER 14 Ca -0.10 -0.30 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 3m0w h SER 14 Cb 1.44 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 3m0w h SER 14 CO 0.12 1.10 0.41 0.74 -1.14 0.00 0.00 176.83 178.06 3m0w h THR 15 N 0.99 1.23 -0.12 -2.27 2.02 -1.21 0.30 112.91 113.85 3m0w h THR 15 Ca 0.18 -0.57 0.03 0.00 0.77 0.00 0.00 66.41 66.82 3m0w h THR 15 Cb 0.55 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 3m0w h THR 15 CO 0.03 0.26 -0.09 0.15 0.37 0.00 0.00 175.52 176.23 3m0w h PHE 16 N 1.07 -0.22 -0.05 3.16 3.57 -1.51 -2.53 116.94 120.43 3m0w h PHE 16 Ca 0.27 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 3m0w h PHE 16 Cb 0.03 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3m0w h PHE 16 CO 0.01 -0.14 -0.44 0.45 -2.23 0.00 0.00 178.31 175.96 3m0w h HIS 17 N -0.10 0.14 -0.82 0.41 3.86 -1.18 -1.26 115.15 116.19 3m0w h HIS 17 Ca 0.08 -0.04 0.18 0.00 -1.16 0.00 0.00 60.37 59.43 3m0w h HIS 17 Cb 0.21 -0.03 -0.06 0.00 1.06 0.00 0.00 27.41 28.60 3m0w h HIS 17 CO -0.21 0.54 0.55 -0.22 0.86 0.00 0.00 177.93 179.45 3m0w h LYS 18 N 0.10 0.38 0.00 2.45 3.64 -0.54 -2.96 116.57 119.63 3m0w h LYS 18 Ca 0.01 -0.02 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 3m0w h LYS 18 Cb 0.82 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 3m0w h LYS 18 CO 0.06 0.25 -2.02 0.66 -2.27 0.00 0.00 179.45 176.13 3m0w n TYR 19 N -4.48 0.00 0.10 1.91 4.01 -0.85 -4.54 117.16 113.31 3m0w n TYR 19 Ca 0.17 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.87 3m0w n TYR 19 Cb 0.63 -0.67 0.13 0.00 -0.31 0.00 0.00 39.34 39.11 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 0.18 -0.01 7.72 4.64 -1.10 -2.97 113.55 122.02 3m0w h SER 20 Ca -0.30 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3m0w h SER 20 Cb 1.61 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 3m0w h SER 20 CO 0.02 0.76 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 3m0w n GLY 21 N 0.29 -0.84 0.10 -0.77 0.00 -1.04 -4.12 105.19 98.81 3m0w n GLY 21 Ca -0.02 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 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 0.36 -0.13 -4.56 1.61 1.57 -1.77 -3.46 116.57 110.18 3m0w h LYS 22 Ca 0.00 0.01 -0.22 0.00 -1.87 0.00 0.00 60.65 58.57 3m0w h LYS 22 Cb 0.08 0.03 -0.17 0.00 0.08 0.00 0.00 32.23 32.25 3m0w h LYS 22 CO 0.00 0.20 -0.70 -1.21 -0.57 0.00 0.00 179.45 177.17 3m0w s GLU 23 N -4.79 0.71 6.51 3.15 2.02 -1.26 -5.09 118.70 119.95 3m0w s GLU 23 Ca -0.15 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.69 3m0w s GLU 23 Cb 0.03 -0.17 0.00 0.00 0.10 0.00 0.00 34.13 34.09 3m0w s GLU 23 CO 0.63 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.31 3m0w n GLY 24 N 0.42 3.19 3.68 -1.39 0.00 -1.26 -4.49 105.19 105.34 3m0w n GLY 24 Ca -0.15 -0.25 -0.44 0.00 0.00 0.00 0.00 46.02 45.17 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 2.43 3.82 0.21 1.61 -0.08 -1.26 -4.87 116.55 118.41 3m0w n ASP 25 Ca 0.00 0.98 0.09 0.00 -1.51 0.00 0.00 54.79 54.35 3m0w n ASP 25 Cb 0.00 -1.49 0.43 0.00 2.34 0.00 0.00 41.12 42.40 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 8.65 0.00 -0.46 -0.67 1.79 -1.79 -3.16 116.57 120.93 3m0w h LYS 26 Ca -0.47 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 3m0w h LYS 26 Cb 1.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.89 3m0w h LYS 26 CO 0.94 0.26 0.00 1.19 -1.08 0.00 0.00 179.45 180.76 3m0w n PHE 27 N -3.44 1.41 -4.02 -1.35 3.72 -1.26 -2.50 117.46 110.02 3m0w n PHE 27 Ca -0.00 -0.74 -0.08 0.00 -0.05 0.00 0.00 57.45 56.58 3m0w n PHE 27 Cb 0.44 -0.34 -0.10 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 -2.44 0.50 -0.21 -1.08 1.02 -1.19 -4.36 119.74 111.97 3m0w s LYS 28 Ca 0.47 -0.90 -0.14 0.00 0.02 0.00 0.00 55.97 55.42 3m0w s LYS 28 Cb 0.35 0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 37.79 3m0w s LYS 28 CO 0.15 -0.10 0.30 -0.51 -0.92 0.00 0.00 175.35 174.28 3m0w s LEU 29 N -2.23 4.15 0.64 3.17 1.43 -0.24 -4.65 118.68 120.95 3m0w s LEU 29 Ca -0.04 0.36 0.00 0.00 -1.03 0.00 0.00 54.13 53.43 3m0w s LEU 29 Cb -0.00 -2.35 0.08 0.00 0.03 0.00 0.00 46.19 43.95 3m0w s LEU 29 CO -0.06 -0.01 0.89 0.54 0.23 0.00 0.00 176.35 177.94 3m0w s ASN 30 N 1.01 4.80 0.34 2.29 2.20 -1.26 -0.78 114.94 123.54 3m0w s ASN 30 Ca 0.14 -0.20 0.10 0.00 -0.94 0.00 0.00 52.86 51.97 3m0w s ASN 30 Cb -0.14 -0.42 0.86 0.00 -2.00 0.00 0.00 41.25 39.55 3m0w s ASN 30 CO 0.06 -1.51 1.78 0.11 -2.94 0.00 0.00 177.10 174.60 3m0w h LYS 31 N -0.24 0.62 -0.06 3.55 1.57 -1.99 0.32 116.57 120.34 3m0w h LYS 31 Ca -0.39 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.30 3m0w h LYS 31 Cb 1.28 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3m0w h LYS 31 CO 0.46 0.41 -0.19 1.03 -0.57 0.00 0.00 179.45 180.59 3m0w h SER 32 N 0.64 0.27 0.21 0.86 0.87 -1.98 -1.23 113.55 113.18 3m0w h SER 32 Ca 0.57 -0.62 -0.05 0.00 -1.23 0.00 0.00 61.79 60.46 3m0w h SER 32 Cb 1.06 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 3m0w h SER 32 CO -0.35 0.84 -0.22 -0.33 -0.53 0.00 0.00 176.83 176.24 3m0w h GLU 33 N -0.29 0.02 -0.14 2.24 5.08 -1.58 -1.80 114.58 118.11 3m0w h GLU 33 Ca -0.01 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.14 3m0w h GLU 33 Cb 0.82 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 3m0w h GLU 33 CO 0.04 0.24 -0.75 1.25 -1.00 0.00 0.00 179.01 178.80 3m0w h LEU 34 N 0.02 0.78 -0.70 1.33 5.85 -0.81 -1.79 115.31 119.99 3m0w h LEU 34 Ca 0.00 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.17 3m0w h LEU 34 Cb 0.40 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3m0w h LEU 34 CO 0.03 1.28 0.26 0.50 -0.34 0.00 0.00 178.44 180.18 3m0w h LYS 35 N 0.46 1.06 -0.24 1.25 3.64 -0.72 -0.87 116.57 121.15 3m0w h LYS 35 Ca -0.04 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3m0w h LYS 35 Cb 1.35 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 3m0w h LYS 35 CO 0.15 0.89 0.14 0.93 -2.27 0.00 0.00 179.45 179.29 3m0w h GLU 36 N 1.01 0.34 -0.28 1.90 5.08 -1.12 -1.33 114.58 120.18 3m0w h GLU 36 Ca 0.23 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.54 3m0w h GLU 36 Cb 0.24 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3m0w h GLU 36 CO -0.02 0.29 0.09 1.25 -1.00 0.00 0.00 179.01 179.62 3m0w h LEU 37 N 0.29 0.40 -0.26 1.33 6.46 -0.93 0.53 115.31 123.12 3m0w h LEU 37 Ca 0.09 -0.20 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 3m0w h LEU 37 Cb 0.05 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.86 3m0w h LEU 37 CO -0.01 0.49 0.17 -0.07 -0.62 0.00 0.00 178.44 178.40 3m0w h LEU 38 N 0.29 0.31 -0.21 2.25 3.38 -1.14 0.36 115.31 120.53 3m0w h LEU 38 Ca 0.09 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3m0w h LEU 38 Cb 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3m0w h LEU 38 CO -0.00 0.23 0.05 0.74 0.09 0.00 0.00 178.44 179.55 3m0w h THR 39 N 0.35 1.21 0.00 0.22 2.02 -0.80 -0.64 112.91 115.26 3m0w h THR 39 Ca 0.10 -0.67 -0.14 0.00 0.77 0.00 0.00 66.41 66.47 3m0w h THR 39 Cb -0.03 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3m0w h THR 39 CO -0.02 0.21 -1.00 0.03 0.37 0.00 0.00 175.52 175.11 3m0w h ARG 40 N 0.16 0.00 0.00 6.66 3.08 -0.86 -3.36 114.38 120.07 3m0w h ARG 40 Ca 0.07 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3m0w h ARG 40 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3m0w h ARG 40 CO 0.00 0.39 -1.39 0.39 -1.07 0.00 0.00 179.97 178.30 3m0w n GLU 41 N -3.04 0.93 -2.56 0.04 -0.58 0.12 -4.72 120.64 110.82 3m0w n GLU 41 Ca -0.04 -0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.51 3m0w n GLU 41 Cb 0.79 -1.18 0.02 0.00 -0.57 0.00 0.00 31.44 30.50 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 -1.90 2.81 0.33 -4.62 4.77 -0.26 -4.91 117.00 113.22 3m0w n LEU 42 Ca -0.04 -4.13 0.21 0.00 -0.03 0.00 0.00 56.01 52.02 3m0w n LEU 42 Cb 0.34 0.10 1.13 0.00 -2.33 0.00 0.00 43.42 42.66 3m0w n LEU 42 CO 0.16 1.72 1.17 1.55 -1.33 0.00 0.00 177.39 180.66 3m0w h PRO 43 N 2.71 0.00 0.00 3.23 0.13 -1.68 0.31 132.00 136.70 3m0w h PRO 43 Ca 0.06 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.06 3m0w h PRO 43 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3m0w h PRO 43 CO 0.57 0.00 -0.64 0.77 -0.23 0.00 0.00 178.00 178.47 3m0w h SER 44 N 0.00 0.00 -0.03 1.44 0.02 -1.91 -3.24 113.55 109.83 3m0w h SER 44 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3m0w h SER 44 Cb 0.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3m0w h SER 44 CO -0.00 0.64 -0.20 0.15 -1.14 0.00 0.00 176.83 176.28 3m0w h PHE 45 N 0.00 0.26 -2.28 3.45 3.57 -1.30 -3.56 116.94 117.09 3m0w h PHE 45 Ca -0.01 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.38 3m0w h PHE 45 Cb 1.32 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.03 3m0w h PHE 45 CO 0.00 0.85 0.00 1.28 -2.23 0.00 0.00 178.31 178.21 3m0w n LEU 46 N -4.56 0.00 0.00 0.59 4.77 -1.18 -5.19 117.00 111.44 3m0w n LEU 46 Ca -0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3m0w n LEU 46 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3m0w n LEU 46 CO 0.38 -0.05 0.00 0.41 -1.33 0.00 0.00 177.39 176.80 3m0w n THR 50 N -0.15 0.00 -1.99 -5.08 -1.04 -1.26 -5.11 114.28 99.65 3m0w n THR 50 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 3m0w n THR 50 Cb 0.00 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 68.53 3m0w n THR 50 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3m0w s ASP 51 N 0.00 5.59 0.18 8.00 -1.08 -1.26 -4.96 116.67 123.14 3m0w s ASP 51 Ca 0.00 2.54 -0.12 0.00 -0.52 0.00 0.00 52.55 54.45 3m0w s ASP 51 Cb 0.00 -2.62 0.09 0.00 -1.46 0.00 0.00 42.92 38.93 3m0w s ASP 51 CO 0.00 -1.33 1.77 -0.08 0.52 0.00 0.00 175.17 176.04 3m0w h GLU 52 N 1.59 0.91 0.19 4.34 4.57 -2.06 -3.04 114.58 121.08 3m0w h GLU 52 Ca -0.50 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 57.53 3m0w h GLU 52 Cb 1.28 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 3m0w h GLU 52 CO 0.58 0.73 -0.09 0.00 -1.18 0.00 0.00 179.01 179.05 3m0w h ALA 53 N 1.13 -0.25 -0.34 2.92 0.00 -1.99 -0.55 119.26 120.17 3m0w h ALA 53 Ca 0.22 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.13 3m0w h ALA 53 Cb 0.12 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3m0w h ALA 53 CO -0.03 -0.59 0.25 0.00 0.00 0.00 0.00 179.25 178.88 3m0w h ALA 54 N 0.43 2.32 -0.43 0.00 0.00 -1.97 0.24 119.26 119.86 3m0w h ALA 54 Ca -0.03 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3m0w h ALA 54 Cb 0.28 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3m0w h ALA 54 CO 0.04 -0.42 0.00 0.35 0.00 0.00 0.00 179.25 179.22 3m0w h PHE 55 N 0.00 0.83 -0.73 0.00 -0.00 -1.20 -2.46 116.94 113.39 3m0w h PHE 55 Ca 0.16 -0.14 -0.06 0.00 -0.00 0.00 0.00 57.97 57.93 3m0w h PHE 55 Cb 0.66 -0.22 -0.03 0.00 -0.00 0.00 0.00 35.95 36.36 3m0w h PHE 55 CO 0.00 0.82 0.23 0.37 -0.00 0.00 0.00 178.31 179.73 3m0w h GLN 56 N 0.61 1.13 -0.40 1.11 -0.00 0.91 0.22 115.11 118.68 3m0w h GLN 56 Ca 0.12 -0.24 -0.03 0.00 -0.00 0.00 0.00 58.65 58.50 3m0w h GLN 56 Cb 0.49 -0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.78 3m0w h GLN 56 CO 0.02 0.96 0.11 -0.22 0.00 0.00 0.00 178.83 179.70 3m0w h LYS 57 N 1.08 0.59 -0.00 1.69 3.64 -0.83 0.27 116.57 123.00 3m0w h LYS 57 Ca 0.24 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3m0w h LYS 57 Cb 0.30 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3m0w h LYS 57 CO -0.01 0.54 -0.01 1.25 -2.27 0.00 0.00 179.45 178.95 3m0w h LEU 58 N 0.58 0.02 -1.69 5.20 5.85 -0.80 -1.59 115.31 122.88 3m0w h LEU 58 Ca 0.14 -0.65 0.07 0.00 0.84 0.00 0.00 57.88 58.28 3m0w h LEU 58 Cb 0.21 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3m0w h LEU 58 CO -0.01 0.66 0.34 -0.03 -0.34 0.00 0.00 178.44 179.07 3m0w h MET 59 N -0.63 0.36 0.03 1.25 4.05 -0.23 -0.29 114.93 119.48 3m0w h MET 59 Ca -0.00 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3m0w h MET 59 Cb 0.66 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 3m0w h MET 59 CO 0.00 0.24 -0.01 1.03 0.23 0.00 0.00 176.91 178.40 3m0w h SER 60 N 0.38 -0.03 -0.99 1.39 0.87 -0.36 -2.30 113.55 112.51 3m0w h SER 60 Ca 0.22 -0.39 0.08 0.00 -1.23 0.00 0.00 61.79 60.48 3m0w h SER 60 Cb 0.40 0.01 -0.07 0.00 -0.44 0.00 0.00 62.40 62.29 3m0w h SER 60 CO -0.06 0.38 0.63 0.78 -0.53 0.00 0.00 176.83 178.03 3m0w h ASN 61 N -0.44 0.99 0.57 6.23 2.35 -0.57 -3.12 115.58 121.59 3m0w h ASN 61 Ca -0.00 0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.54 3m0w h ASN 61 Cb 0.42 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 3m0w h ASN 61 CO 0.01 0.60 -1.01 -0.07 -1.65 0.00 0.00 177.43 175.31 3m0w h LEU 62 N 1.11 0.35 -7.32 1.61 -0.00 -1.03 -3.38 115.31 106.64 3m0w h LEU 62 Ca 0.45 -0.32 -0.71 0.00 -0.00 0.00 0.00 57.88 57.29 3m0w h LEU 62 Cb 0.26 -0.11 -0.12 0.00 -0.00 0.00 0.00 40.66 40.69 3m0w h LEU 62 CO -0.20 1.16 2.05 -0.67 -0.00 0.00 0.00 178.44 180.78 3m0w n ASP 63 N -3.62 4.89 0.17 -0.43 4.64 -0.87 -4.75 116.55 116.59 3m0w n ASP 63 Ca -0.05 -2.95 0.06 0.00 -1.38 0.00 0.00 54.79 50.46 3m0w n ASP 63 Cb 0.89 -1.64 0.12 0.00 -1.04 0.00 0.00 41.12 39.45 3m0w n ASP 63 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 3m0w h SER 64 N 6.92 0.00 -0.32 1.67 4.64 -1.81 -2.40 113.55 122.25 3m0w h SER 64 Ca 0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 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 1.48 0.33 0.00 -0.46 -0.87 0.00 0.00 176.83 177.31 3m0w n ASN 65 N -3.21 2.24 -3.95 4.97 6.94 -1.26 -4.96 115.26 116.04 3m0w n ASN 65 Ca 0.02 -1.88 -0.30 0.00 -0.02 0.00 0.00 54.58 52.41 3m0w n ASN 65 Cb 0.64 -0.21 0.01 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 0.71 -4.86 -1.06 -3.83 5.12 -0.90 -4.88 116.66 106.96 3m0w n ARG 66 Ca 0.16 0.55 -0.09 0.00 -1.93 0.00 0.00 57.85 56.54 3m0w n ARG 66 Cb 0.39 -5.30 0.28 0.00 -1.16 0.00 0.00 32.46 26.67 3m0w n ARG 66 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 3m0w n ASP 67 N -2.84 4.61 0.00 0.55 5.75 -1.26 -4.93 116.55 118.43 3m0w n ASP 67 Ca -0.03 -3.31 0.00 0.00 -0.01 0.00 0.00 54.79 51.45 3m0w n ASP 67 Cb 0.55 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.88 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 -0.35 -4.07 -4.16 -1.12 5.15 -1.26 -4.97 115.26 104.48 3m0w n ASN 68 Ca 0.44 0.00 -0.10 0.00 -0.60 0.00 0.00 54.58 54.32 3m0w n ASN 68 Cb 1.44 -2.75 -0.10 0.00 -0.53 0.00 0.00 39.78 37.84 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 -1.44 0.93 -0.38 1.20 2.02 -1.26 -4.52 118.70 115.24 3m0w s GLU 69 Ca 0.00 -1.44 -0.08 0.00 0.02 0.00 0.00 54.97 53.47 3m0w s GLU 69 Cb 0.00 0.18 0.06 0.00 0.10 0.00 0.00 34.13 34.46 3m0w s GLU 69 CO 0.00 -0.23 0.18 0.08 0.02 0.00 0.00 175.26 175.31 3m0w s VAL 70 N -3.99 4.04 0.85 2.63 1.01 0.04 -4.74 120.40 120.23 3m0w s VAL 70 Ca 0.23 -1.24 -0.09 0.00 0.00 0.00 0.00 61.98 60.87 3m0w s VAL 70 Cb 0.07 -3.38 0.16 0.00 0.00 0.00 0.00 36.38 33.24 3m0w s VAL 70 CO 0.01 -0.34 1.17 1.51 0.00 0.00 0.00 175.10 177.46 3m0w s ASP 71 N 1.71 3.74 0.25 3.32 1.47 -1.26 -1.08 116.67 124.83 3m0w s ASP 71 Ca 0.01 0.06 -0.06 0.00 1.18 0.00 0.00 52.55 53.73 3m0w s ASP 71 Cb -0.21 -0.28 0.25 0.00 -0.34 0.00 0.00 42.92 42.34 3m0w s ASP 71 CO 0.03 -2.30 1.92 0.15 0.68 0.00 0.00 175.17 175.65 3m0w h PHE 72 N -1.13 1.24 -0.22 2.11 3.57 -1.99 -0.24 116.94 120.27 3m0w h PHE 72 Ca -0.41 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 3m0w h PHE 72 Cb 1.26 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.57 3m0w h PHE 72 CO -0.64 0.78 0.10 0.37 -2.23 0.00 0.00 178.31 176.68 3m0w h GLN 73 N 1.33 0.32 0.00 1.11 4.15 -1.97 0.15 115.11 120.21 3m0w h GLN 73 Ca 0.36 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.71 3m0w h GLN 73 Cb -0.15 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.48 3m0w h GLN 73 CO -0.08 0.34 -0.11 0.93 -1.93 0.00 0.00 178.83 177.98 3m0w h GLU 74 N 0.22 0.00 0.28 1.69 5.08 -1.72 -2.05 114.58 118.08 3m0w h GLU 74 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3m0w h GLU 74 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3m0w h GLU 74 CO -0.01 0.11 -0.13 -0.92 -1.00 0.00 0.00 179.01 177.06 3m0w h TYR 75 N 0.00 -0.35 -1.00 4.33 3.20 0.22 -2.51 116.97 120.86 3m0w h TYR 75 Ca -0.00 -0.01 0.30 0.00 3.14 0.00 0.00 58.73 62.16 3m0w h TYR 75 Cb 0.30 0.12 -0.14 0.00 1.54 0.00 0.00 36.73 38.54 3m0w h TYR 75 CO 0.00 0.01 0.56 0.00 -1.64 0.00 0.00 178.16 177.09 3m0w h VAL 77 N 0.38 1.30 -0.46 0.00 2.07 -1.37 0.11 116.25 118.28 3m0w h VAL 77 Ca 0.70 -1.00 0.08 0.00 0.82 0.00 0.00 66.70 67.30 3m0w h VAL 77 Cb 1.53 1.73 -0.07 0.00 -1.52 0.00 0.00 31.29 32.96 3m0w h VAL 77 CO -0.58 0.29 0.06 0.15 0.02 0.00 0.00 177.57 177.52 3m0w h PHE 78 N -0.09 0.10 -0.49 1.57 3.57 -0.52 0.47 116.94 121.54 3m0w h PHE 78 Ca 0.03 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 3m0w h PHE 78 Cb 0.47 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3m0w h PHE 78 CO 0.06 -0.03 0.10 -0.07 -2.23 0.00 0.00 178.31 176.14 3m0w h LEU 79 N 0.19 0.75 -0.78 0.59 3.38 -0.64 -1.85 115.31 116.95 3m0w h LEU 79 Ca 0.23 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 58.02 3m0w h LEU 79 Cb 0.31 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3m0w h LEU 79 CO -0.32 0.80 0.46 0.28 0.09 0.00 0.00 178.44 179.75 3m0w h SER 80 N 0.67 0.70 -0.64 -0.43 0.02 -0.25 -0.06 113.55 113.57 3m0w h SER 80 Ca 0.15 0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3m0w h SER 80 Cb 0.35 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 3m0w h SER 80 CO 0.00 0.44 0.42 0.00 -1.14 0.00 0.00 176.83 176.56 3m0w h ILE 82 N 0.86 1.07 -0.48 0.00 2.04 -0.53 -2.22 117.51 118.25 3m0w h ILE 82 Ca 0.23 -0.16 0.10 0.00 1.00 0.00 0.00 64.86 66.03 3m0w h ILE 82 Cb -0.10 0.86 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 3m0w h ILE 82 CO -0.05 0.06 -0.05 0.00 0.00 0.00 0.00 178.15 178.11 3m0w h ALA 83 N 1.03 0.40 -0.60 1.87 0.00 -0.36 -1.09 119.26 120.52 3m0w h ALA 83 Ca 0.06 0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.26 3m0w h ALA 83 Cb 0.01 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 17.99 3m0w h ALA 83 CO -0.01 -0.42 -0.13 0.52 0.00 0.00 0.00 179.25 179.21 3m0w h MET 84 N 0.06 0.01 0.20 0.00 2.86 -0.32 0.24 114.93 117.99 3m0w h MET 84 Ca 0.24 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.89 3m0w h MET 84 Cb 0.37 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3m0w h MET 84 CO -0.45 0.01 -0.30 0.52 1.06 0.00 0.00 176.91 177.75 3m0w h MET 85 N 0.01 -0.55 -0.84 1.72 2.07 -0.63 -2.47 114.93 114.24 3m0w h MET 85 Ca 0.29 0.04 0.17 0.00 -2.07 0.00 0.00 59.70 58.12 3m0w h MET 85 Cb 0.45 0.12 -0.10 0.00 -1.87 0.00 0.00 31.60 30.20 3m0w h MET 85 CO -0.60 -0.37 0.40 0.00 1.07 0.00 0.00 176.91 177.41 3m0w h ASN 87 N 0.52 0.20 -0.45 0.00 -1.24 -0.09 -1.46 115.58 113.07 3m0w h ASN 87 Ca 0.48 -0.01 0.03 0.00 0.71 0.00 0.00 56.30 57.51 3m0w h ASN 87 Cb 0.77 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.74 3m0w h ASN 87 CO -0.42 0.19 0.30 -0.33 -1.29 0.00 0.00 177.43 175.88 3m0w h GLU 88 N 0.23 0.49 -0.62 6.67 4.39 -0.99 -0.10 114.58 124.64 3m0w h GLU 88 Ca 0.06 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.76 3m0w h GLU 88 Cb 0.05 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 3m0w h GLU 88 CO -0.01 0.32 0.38 0.35 -1.16 0.00 0.00 179.01 178.90 3m0w h PHE 89 N 0.51 0.71 -0.17 4.33 3.57 -1.35 -2.72 116.94 121.81 3m0w h PHE 89 Ca 0.18 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.50 3m0w h PHE 89 Cb 0.09 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3m0w h PHE 89 CO -0.00 0.40 -0.69 0.74 -2.23 0.00 0.00 178.31 176.54 3m0w h PHE 90 N 0.75 0.91 0.00 0.41 0.04 -1.29 -3.13 116.94 114.62 3m0w h PHE 90 Ca 0.25 -0.37 0.00 0.00 2.80 0.00 0.00 57.97 60.65 3m0w h PHE 90 Cb 0.03 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 38.03 3m0w h PHE 90 CO -0.05 1.18 0.00 -1.91 -0.60 0.00 0.00 178.31 176.92 3m0w n GLU 91 N -3.93 0.92 -3.27 1.51 2.13 -0.18 -4.82 120.64 113.00 3m0w n GLU 91 Ca -0.05 0.00 -0.03 0.00 0.66 0.00 0.00 57.16 57.73 3m0w n GLU 91 Cb 0.69 -1.33 -0.00 0.00 0.27 0.00 0.00 31.44 31.07 3m0w n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3m0w n GLY 92 N 0.20 -0.04 2.76 8.31 0.00 -1.13 -4.98 105.19 110.30 3m0w n GLY 92 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3m0w n GLY 92 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01