#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwi n GLU 2 N 0.00 -2.18 -2.34 0.03 4.71 -1.26 -4.88 120.64 114.72 1fwi n GLU 2 Ca 0.00 0.50 -0.42 0.00 -0.01 0.00 0.00 57.16 57.23 1fwi n GLU 2 Cb 0.00 -4.47 -0.03 0.00 -1.01 0.00 0.00 31.44 25.93 1fwi n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1fwi s LEU 3 N -6.51 4.33 0.74 -4.62 1.43 -1.26 -5.03 118.68 107.77 1fwi s LEU 3 Ca 0.33 2.04 -0.10 0.00 -1.03 0.00 0.00 54.13 55.37 1fwi s LEU 3 Cb -0.11 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.59 1fwi s LEU 3 CO 0.85 -0.59 1.09 0.42 0.23 0.00 0.00 176.35 178.35 1fwi s THR 4 N 1.71 2.66 0.24 5.49 -4.23 -1.26 -4.91 115.64 115.33 1fwi s THR 4 Ca 0.60 0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 61.15 1fwi s THR 4 Cb -0.30 -3.19 0.20 0.00 1.34 0.00 0.00 72.50 70.56 1fwi s THR 4 CO 0.27 -0.23 1.82 -0.65 -0.54 0.00 0.00 174.62 175.29 1fwi h PRO 5 N -0.76 0.79 -0.42 3.99 0.11 -2.00 -2.64 132.00 131.08 1fwi h PRO 5 Ca -0.45 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1fwi h PRO 5 Cb 1.30 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1fwi h PRO 5 CO 0.64 0.52 0.11 0.07 -0.21 0.00 0.00 178.00 179.12 1fwi h ARG 6 N 0.81 0.61 -0.48 1.05 0.11 -1.99 -0.89 114.38 113.61 1fwi h ARG 6 Ca 0.38 -0.10 -0.09 0.00 0.10 0.00 0.00 59.98 60.26 1fwi h ARG 6 Cb 0.29 -0.10 -0.02 0.00 1.11 0.00 0.00 29.97 31.25 1fwi h ARG 6 CO -0.22 0.56 -0.06 0.93 0.10 0.00 0.00 179.97 181.27 1fwi h GLU 7 N 0.60 0.89 -0.24 0.08 5.08 -1.86 -1.99 114.58 117.15 1fwi h GLU 7 Ca 0.14 -0.32 -0.09 0.00 -1.00 0.00 0.00 59.36 58.09 1fwi h GLU 7 Cb 0.22 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1fwi h GLU 7 CO -0.00 0.96 -0.24 0.87 -1.00 0.00 0.00 179.01 179.60 1fwi h LYS 8 N 0.74 0.45 -0.45 2.33 1.57 -1.14 -2.74 116.57 117.32 1fwi h LYS 8 Ca 0.13 -0.16 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1fwi h LYS 8 Cb 0.60 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1fwi h LYS 8 CO 0.04 0.66 -0.00 0.22 -0.57 0.00 0.00 179.45 179.79 1fwi h ASP 9 N 0.40 0.79 0.37 0.86 -0.00 -0.97 -2.47 116.42 115.40 1fwi h ASP 9 Ca 0.06 -0.31 -0.02 0.00 -0.00 0.00 0.00 57.03 56.76 1fwi h ASP 9 Cb 0.64 -0.21 -0.00 0.00 -0.00 0.00 0.00 39.33 39.75 1fwi h ASP 9 CO 0.05 0.90 -0.11 0.11 -0.00 0.00 0.00 179.24 180.19 1fwi h LYS 10 N 0.65 0.00 -0.02 0.28 1.79 -1.17 -0.92 116.57 117.19 1fwi h LYS 10 Ca 0.13 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.53 1fwi h LYS 10 Cb 0.50 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1fwi h LYS 10 CO 0.02 0.11 -0.29 -0.07 -1.08 0.00 0.00 179.45 178.14 1fwi h LEU 11 N 0.00 0.03 -0.38 2.94 3.38 -1.15 -0.95 115.31 119.18 1fwi h LEU 11 Ca -0.00 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1fwi h LEU 11 Cb 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1fwi h LEU 11 CO 0.01 0.33 -0.06 0.25 0.09 0.00 0.00 178.44 179.05 1fwi h LEU 12 N 0.03 0.72 -0.54 1.67 6.46 -1.14 -1.98 115.31 120.53 1fwi h LEU 12 Ca 0.00 -0.35 -0.05 0.00 -0.12 0.00 0.00 57.88 57.36 1fwi h LEU 12 Cb 0.53 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 1fwi h LEU 12 CO 0.04 0.90 0.13 0.25 -0.62 0.00 0.00 178.44 179.14 1fwi h LEU 13 N 0.53 0.83 -0.48 2.25 5.85 -1.26 -1.69 115.31 121.34 1fwi h LEU 13 Ca 0.10 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 1fwi h LEU 13 Cb 0.57 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1fwi h LEU 13 CO 0.03 0.85 0.30 0.15 -0.34 0.00 0.00 178.44 179.44 1fwi h PHE 14 N 0.77 0.63 -0.50 1.25 3.57 -1.13 -1.68 116.94 119.85 1fwi h PHE 14 Ca 0.17 0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.59 1fwi h PHE 14 Cb 0.35 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 1fwi h PHE 14 CO 0.02 0.42 -0.03 1.15 -2.23 0.00 0.00 178.31 177.64 1fwi h THR 15 N 0.65 1.25 -0.55 4.41 2.02 -1.21 -1.67 112.91 117.80 1fwi h THR 15 Ca 0.17 -1.10 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 1fwi h THR 15 Cb -0.03 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1fwi h THR 15 CO -0.03 0.39 0.10 0.00 0.37 0.00 0.00 175.52 176.34 1fwi h ALA 16 N 1.15 1.13 0.00 6.16 0.00 -1.03 -2.18 119.26 124.49 1fwi h ALA 16 Ca 0.15 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1fwi h ALA 16 Cb 0.53 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1fwi h ALA 16 CO 0.03 0.58 -0.41 0.00 0.00 0.00 0.00 179.25 179.44 1fwi h ALA 17 N 1.27 1.21 -0.70 0.00 0.00 -0.87 -2.59 119.26 117.58 1fwi h ALA 17 Ca 0.18 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1fwi h ALA 17 Cb 0.36 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1fwi h ALA 17 CO 0.01 0.52 0.15 -0.07 0.00 0.00 0.00 179.25 179.85 1fwi h LEU 18 N 0.00 1.07 0.02 0.00 3.38 -0.68 0.34 115.31 119.44 1fwi h LEU 18 Ca -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 1fwi h LEU 18 Cb 0.78 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1fwi h LEU 18 CO 0.05 1.04 -0.01 0.58 0.09 0.00 0.00 178.44 180.19 1fwi h VAL 19 N 1.06 1.05 -0.68 1.22 2.07 -1.21 -2.66 116.25 117.10 1fwi h VAL 19 Ca 0.22 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1fwi h VAL 19 Cb 0.40 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1fwi h VAL 19 CO 0.01 0.06 0.33 0.00 0.02 0.00 0.00 177.57 177.98 1fwi h ALA 20 N 0.85 0.87 -0.71 1.67 0.00 -1.32 -2.65 119.26 117.97 1fwi h ALA 20 Ca -0.00 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.81 1fwi h ALA 20 Cb 0.11 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1fwi h ALA 20 CO 0.00 0.43 0.43 1.49 0.00 0.00 0.00 179.25 181.61 1fwi h GLU 21 N 0.94 0.80 -0.22 0.00 4.81 -0.88 -0.67 114.58 119.37 1fwi h GLU 21 Ca 0.23 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 1fwi h GLU 21 Cb 0.11 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1fwi h GLU 21 CO -0.03 0.53 -0.39 0.00 -0.73 0.00 0.00 179.01 178.39 1fwi h ARG 22 N 0.83 0.50 -0.19 1.92 3.08 -1.32 -2.39 114.38 116.81 1fwi h ARG 22 Ca 0.30 -0.25 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 1fwi h ARG 22 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1fwi h ARG 22 CO -0.14 0.82 -0.63 0.00 -1.07 0.00 0.00 179.97 178.95 1fwi h ARG 23 N 0.42 0.68 -0.67 0.04 3.08 -1.09 -2.76 114.38 114.08 1fwi h ARG 23 Ca 0.04 -0.48 -0.05 0.00 0.07 0.00 0.00 59.98 59.57 1fwi h ARG 23 Cb 0.87 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.96 1fwi h ARG 23 CO 0.07 1.10 0.24 1.25 -1.07 0.00 0.00 179.97 181.56 1fwi h LEU 24 N 0.50 0.93 -1.73 3.04 5.85 -1.05 -1.97 115.31 120.88 1fwi h LEU 24 Ca -0.01 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 1fwi h LEU 24 Cb 1.21 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.00 1fwi h LEU 24 CO 0.12 0.85 -0.16 0.00 -0.34 0.00 0.00 178.44 178.92 1fwi h ALA 25 N 1.28 1.64 0.00 1.25 0.00 -1.25 -0.99 119.26 121.19 1fwi h ALA 25 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1fwi h ALA 25 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1fwi h ALA 25 CO -0.01 0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.97 1fwi n ARG 26 N -4.21 0.02 -0.33 0.00 1.74 -0.78 -4.89 116.66 108.20 1fwi n ARG 26 Ca -0.02 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1fwi n ARG 26 Cb 0.23 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 1fwi n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwi n GLY 27 N 1.28 0.80 3.84 -0.13 0.00 -0.37 -5.07 105.19 105.54 1fwi n GLY 27 Ca 0.07 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 1fwi n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fwi s LEU 28 N 0.00 4.04 -0.24 0.99 1.43 -0.95 -5.02 118.68 118.92 1fwi s LEU 28 Ca 0.00 1.38 -0.23 0.00 -1.03 0.00 0.00 54.13 54.24 1fwi s LEU 28 Cb 0.00 -4.18 -0.01 0.00 0.03 0.00 0.00 46.19 42.03 1fwi s LEU 28 CO 0.00 -0.24 0.77 -0.54 0.23 0.00 0.00 176.35 176.57 1fwi s LYS 29 N -3.02 4.17 0.58 1.70 1.02 -1.26 -4.55 119.74 118.39 1fwi s LYS 29 Ca 0.56 0.83 -0.19 0.00 0.02 0.00 0.00 55.97 57.19 1fwi s LYS 29 Cb -0.10 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.53 1fwi s LYS 29 CO 0.16 -0.47 1.17 -0.51 -0.92 0.00 0.00 175.35 174.79 1fwi s LEU 30 N 2.67 3.67 0.00 3.17 1.43 -0.10 -4.37 118.68 125.15 1fwi s LEU 30 Ca 0.33 2.28 0.00 0.00 -1.03 0.00 0.00 54.13 55.71 1fwi s LEU 30 Cb -0.15 -4.59 0.02 0.00 0.03 0.00 0.00 46.19 41.50 1fwi s LEU 30 CO 0.08 -1.47 0.13 -0.46 0.23 0.00 0.00 176.35 174.87 1fwi n ASN 31 N -1.56 0.23 0.47 2.29 0.23 -1.26 -0.89 115.26 114.77 1fwi n ASN 31 Ca 0.13 -1.18 -0.19 0.00 -0.53 0.00 0.00 54.58 52.81 1fwi n ASN 31 Cb 0.50 -0.08 -0.09 0.00 -2.08 0.00 0.00 39.78 38.03 1fwi n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1fwi h TYR 32 N -0.26 -1.16 -0.54 -2.53 3.20 -1.96 -1.98 116.97 111.74 1fwi h TYR 32 Ca -0.04 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1fwi h TYR 32 Cb 0.17 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1fwi h TYR 32 CO 0.00 -0.71 0.29 -1.00 -1.64 0.00 0.00 178.16 175.11 1fwi h PRO 33 N -1.21 0.73 -0.50 1.82 0.13 -2.00 -2.17 132.00 128.80 1fwi h PRO 33 Ca -0.12 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 64.92 1fwi h PRO 33 Cb 0.94 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 1fwi h PRO 33 CO 0.18 0.54 0.23 0.93 -0.23 0.00 0.00 178.00 179.66 1fwi h GLU 34 N 0.74 0.73 -0.37 0.86 5.08 -1.92 -1.24 114.58 118.47 1fwi h GLU 34 Ca 0.19 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1fwi h GLU 34 Cb 0.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1fwi h GLU 34 CO -0.03 0.62 0.17 0.77 -1.00 0.00 0.00 179.01 179.54 1fwi h SER 35 N 0.67 0.49 -0.64 1.42 0.02 -0.99 -1.49 113.55 113.03 1fwi h SER 35 Ca 0.17 -0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1fwi h SER 35 Cb 0.14 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 1fwi h SER 35 CO -0.02 0.49 0.19 0.58 -1.14 0.00 0.00 176.83 176.93 1fwi h VAL 36 N 0.46 1.25 -0.39 2.27 2.07 -1.23 -2.54 116.25 118.13 1fwi h VAL 36 Ca 0.13 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.70 1fwi h VAL 36 Cb 0.14 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 1fwi h VAL 36 CO -0.01 0.33 -0.04 0.00 0.02 0.00 0.00 177.57 177.87 1fwi h ALA 37 N 1.07 0.53 0.17 1.67 0.00 -1.14 -1.74 119.26 119.83 1fwi h ALA 37 Ca 0.20 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1fwi h ALA 37 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1fwi h ALA 37 CO -0.00 0.34 -0.08 1.25 0.00 0.00 0.00 179.25 180.76 1fwi h LEU 38 N 0.53 -0.19 -0.81 0.00 5.85 -1.19 -1.05 115.31 118.45 1fwi h LEU 38 Ca 0.11 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1fwi h LEU 38 Cb 0.53 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1fwi h LEU 38 CO 0.03 -0.02 0.21 0.40 -0.34 0.00 0.00 178.44 178.71 1fwi h ILE 39 N -0.35 1.26 -0.19 4.05 2.04 -1.52 -2.30 117.51 120.50 1fwi h ILE 39 Ca -0.02 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 64.93 1fwi h ILE 39 Cb 0.28 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1fwi h ILE 39 CO 0.04 0.35 0.10 0.28 0.00 0.00 0.00 178.15 178.92 1fwi h SER 40 N 1.05 0.24 -0.16 1.72 0.02 -1.20 -2.43 113.55 112.79 1fwi h SER 40 Ca 0.23 -0.10 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1fwi h SER 40 Cb 0.31 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1fwi h SER 40 CO -0.01 0.27 -0.04 0.00 -1.14 0.00 0.00 176.83 175.91 1fwi h ALA 41 N 0.98 1.40 -0.22 3.77 0.00 -1.10 -2.43 119.26 121.67 1fwi h ALA 41 Ca 0.07 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1fwi h ALA 41 Cb 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1fwi h ALA 41 CO -0.01 0.42 0.08 0.35 0.00 0.00 0.00 179.25 180.09 1fwi h PHE 42 N 0.43 0.16 -0.73 0.00 3.57 -1.07 -2.34 116.94 116.97 1fwi h PHE 42 Ca 0.09 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.58 1fwi h PHE 42 Cb 0.34 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1fwi h PHE 42 CO 0.01 0.08 0.36 0.82 -2.23 0.00 0.00 178.31 177.35 1fwi h ILE 43 N 0.19 1.23 -0.85 1.41 2.04 -1.00 -1.93 117.51 118.61 1fwi h ILE 43 Ca 0.09 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.32 1fwi h ILE 43 Cb 0.05 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.40 1fwi h ILE 43 CO -0.08 0.27 0.53 0.24 0.00 0.00 0.00 178.15 179.11 1fwi h MET 44 N 1.01 1.13 -0.04 2.37 2.86 -1.17 -1.20 114.93 119.89 1fwi h MET 44 Ca 0.25 -0.09 -0.13 0.00 -2.06 0.00 0.00 59.70 57.67 1fwi h MET 44 Cb 0.09 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 1fwi h MET 44 CO -0.03 0.77 -0.59 0.93 1.06 0.00 0.00 176.91 179.05 1fwi h GLU 45 N 1.16 0.14 -0.51 1.72 4.39 -1.19 -2.36 114.58 117.94 1fwi h GLU 45 Ca 0.31 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.89 1fwi h GLU 45 Cb -0.09 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1fwi h GLU 45 CO -0.06 0.69 0.23 0.78 -1.16 0.00 0.00 179.01 179.48 1fwi h GLY 46 N 1.58 0.80 1.13 -3.84 0.00 -0.46 -1.18 103.07 101.10 1fwi h GLY 46 Ca -0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 1fwi h GLY 46 CO 0.08 0.39 0.13 0.00 0.00 0.00 0.00 176.54 177.15 1fwi h ALA 47 N 1.07 0.99 -0.33 3.60 0.00 -1.15 -1.79 119.26 121.65 1fwi h ALA 47 Ca 0.17 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1fwi h ALA 47 Cb 0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1fwi h ALA 47 CO -0.02 0.65 0.05 -0.09 0.00 0.00 0.00 179.25 179.84 1fwi h ARG 48 N 1.01 0.49 0.00 0.00 9.65 -1.06 -1.82 114.38 122.64 1fwi h ARG 48 Ca 0.21 -0.09 -0.06 0.00 -1.10 0.00 0.00 59.98 58.94 1fwi h ARG 48 Cb 0.39 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.88 1fwi h ARG 48 CO 0.01 0.48 -0.29 -0.44 2.80 0.00 0.00 179.97 182.53 1fwi h ASP 49 N 0.48 0.00 0.00 -3.80 3.32 -0.75 -3.48 116.42 112.19 1fwi h ASP 49 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1fwi h ASP 49 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1fwi h ASP 49 CO 0.00 0.29 0.00 0.61 -1.72 0.00 0.00 179.24 178.42 1fwi n GLY 50 N 0.44 1.14 3.80 2.75 0.00 -0.68 -5.09 105.19 107.54 1fwi n GLY 50 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1fwi n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fwi s LYS 51 N -0.23 3.13 0.67 1.61 1.02 -0.74 -4.94 119.74 120.26 1fwi s LYS 51 Ca 0.00 1.21 -0.11 0.00 0.02 0.00 0.00 55.97 57.09 1fwi s LYS 51 Cb 0.00 -2.01 -0.01 0.00 -0.52 0.00 0.00 37.83 35.30 1fwi s LYS 51 CO 0.00 -0.97 1.07 -1.54 -0.92 0.00 0.00 175.35 172.99 1fwi s SER 52 N -2.89 5.76 0.15 2.83 1.04 -1.26 -4.63 113.70 114.70 1fwi s SER 52 Ca 0.63 1.26 -0.17 0.00 0.48 0.00 0.00 55.95 58.16 1fwi s SER 52 Cb -0.17 -2.16 0.02 0.00 0.10 0.00 0.00 66.02 63.81 1fwi s SER 52 CO 0.41 -1.16 1.78 0.58 0.98 0.00 0.00 173.24 175.83 1fwi h VAL 53 N -0.52 1.00 -0.58 5.02 2.07 -1.95 -2.45 116.25 118.83 1fwi h VAL 53 Ca -0.45 -0.13 0.10 0.00 0.82 0.00 0.00 66.70 67.05 1fwi h VAL 53 Cb 1.23 0.60 -0.08 0.00 -1.52 0.00 0.00 31.29 31.51 1fwi h VAL 53 CO 0.63 0.07 0.13 0.00 0.02 0.00 0.00 177.57 178.42 1fwi h ALA 54 N 1.17 0.68 -0.43 1.67 0.00 -1.97 -1.21 119.26 119.17 1fwi h ALA 54 Ca 0.14 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1fwi h ALA 54 Cb 0.04 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1fwi h ALA 54 CO -0.09 -0.29 0.16 0.77 0.00 0.00 0.00 179.25 179.79 1fwi h SER 55 N 0.27 0.61 -0.52 0.00 0.02 -1.88 -3.16 113.55 108.88 1fwi h SER 55 Ca 0.30 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.98 1fwi h SER 55 Cb 0.42 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1fwi h SER 55 CO -0.37 0.63 0.01 -0.07 -1.14 0.00 0.00 176.83 175.88 1fwi h LEU 56 N 0.56 0.93 -2.02 5.07 3.38 -0.98 0.79 115.31 123.03 1fwi h LEU 56 Ca 0.14 -0.25 0.10 0.00 0.09 0.00 0.00 57.88 57.97 1fwi h LEU 56 Cb 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1fwi h LEU 56 CO -0.01 0.98 0.26 0.24 0.09 0.00 0.00 178.44 180.01 1fwi h MET 57 N 0.89 0.00 0.00 1.13 2.86 -1.20 0.15 114.93 118.76 1fwi h MET 57 Ca 0.16 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.58 1fwi h MET 57 Cb 0.51 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1fwi h MET 57 CO 0.02 0.00 -1.25 -1.91 1.06 0.00 0.00 176.91 174.84 1fwi n GLU 58 N -4.35 0.56 0.11 1.72 4.07 -0.99 -4.32 120.64 117.45 1fwi n GLU 58 Ca 0.05 0.57 0.06 0.00 -0.06 0.00 0.00 57.16 57.79 1fwi n GLU 58 Cb 0.44 -1.74 0.53 0.00 -0.06 0.00 0.00 31.44 30.60 1fwi n GLU 58 CO 0.00 0.00 0.00 0.93 -0.06 0.00 0.00 177.13 178.00 1fwi h GLU 59 N -1.00 0.28 0.00 5.31 5.08 -0.54 -1.92 114.58 121.79 1fwi h GLU 59 Ca -0.34 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1fwi h GLU 59 Cb 1.27 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1fwi h GLU 59 CO -0.21 0.19 0.00 0.78 -1.00 0.00 0.00 179.01 178.77 1fwi h GLY 60 N 0.29 0.00 -0.23 -3.84 0.00 -0.89 -1.48 103.07 96.92 1fwi h GLY 60 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 1fwi h GLY 60 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.06 1fwi n ARG 61 N -2.74 1.48 -0.27 4.80 1.74 -0.72 -3.85 116.66 117.10 1fwi n ARG 61 Ca -0.01 -0.71 0.08 0.00 -0.77 0.00 0.00 57.85 56.44 1fwi n ARG 61 Cb 0.12 -1.41 0.14 0.00 -1.02 0.00 0.00 32.46 30.29 1fwi n ARG 61 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1fwi n HIS 62 N -0.10 0.00 -0.01 -1.55 8.25 -0.56 -4.69 115.22 116.56 1fwi n HIS 62 Ca 0.17 -0.99 -0.20 0.00 -0.26 0.00 0.00 57.72 56.44 1fwi n HIS 62 Cb 0.26 -0.16 -0.14 0.00 1.12 0.00 0.00 29.99 31.07 1fwi n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1fwi h VAL 63 N 1.09 1.30 -4.06 1.59 2.07 -1.69 -3.47 116.25 113.07 1fwi h VAL 63 Ca -0.01 -2.39 -0.45 0.00 0.82 0.00 0.00 66.70 64.68 1fwi h VAL 63 Cb 1.07 2.91 -0.26 0.00 -1.52 0.00 0.00 31.29 33.49 1fwi h VAL 63 CO 0.00 0.63 -0.79 -0.76 0.02 0.00 0.00 177.57 176.67 1fwi s LEU 64 N -7.82 2.14 0.38 2.57 1.43 -1.26 -5.09 118.68 111.03 1fwi s LEU 64 Ca -0.19 -0.41 0.08 0.00 -1.03 0.00 0.00 54.13 52.57 1fwi s LEU 64 Cb 0.02 -0.61 -0.03 0.00 0.03 0.00 0.00 46.19 45.60 1fwi s LEU 64 CO 0.74 0.06 0.26 0.42 0.23 0.00 0.00 176.35 178.06 1fwi s THR 65 N -0.75 2.82 0.57 5.49 -4.23 -1.26 -4.20 115.64 114.09 1fwi s THR 65 Ca 0.02 -1.51 0.26 0.00 -1.18 0.00 0.00 61.69 59.28 1fwi s THR 65 Cb -0.07 -3.03 0.34 0.00 1.34 0.00 0.00 72.50 71.08 1fwi s THR 65 CO 0.01 -0.08 2.18 -0.09 -0.54 0.00 0.00 174.62 176.10 1fwi h ARG 66 N 1.28 0.00 -0.00 3.99 2.43 -1.88 -1.12 114.38 119.08 1fwi h ARG 66 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1fwi h ARG 66 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1fwi h ARG 66 CO 0.62 0.00 -0.09 -0.85 -1.51 0.00 0.00 179.97 178.14 1fwi n GLU 67 N -4.00 0.74 0.00 0.20 0.00 -1.26 -3.39 120.64 112.93 1fwi n GLU 67 Ca -0.01 -0.24 0.11 0.00 0.00 0.00 0.00 57.16 57.02 1fwi n GLU 67 Cb 0.18 -1.50 0.08 0.00 0.00 0.00 0.00 31.44 30.21 1fwi n GLU 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1fwi n GLN 68 N -0.92 1.94 -4.35 3.44 6.02 -0.43 -4.96 117.38 118.13 1fwi n GLN 68 Ca 0.15 -1.69 -0.18 0.00 -0.01 0.00 0.00 57.00 55.27 1fwi n GLN 68 Cb 0.27 -1.42 -0.10 0.00 1.02 0.00 0.00 30.24 30.01 1fwi n GLN 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1fwi s VAL 69 N -1.87 1.73 0.81 5.09 -7.23 -1.22 -0.92 120.40 116.79 1fwi s VAL 69 Ca 0.24 -2.21 -0.12 0.00 -1.81 0.00 0.00 61.98 58.08 1fwi s VAL 69 Cb 0.18 -2.05 0.08 0.00 0.56 0.00 0.00 36.38 35.15 1fwi s VAL 69 CO 0.30 -0.59 1.15 -0.04 -0.31 0.00 0.00 175.10 175.61 1fwi s MET 70 N -3.65 1.76 0.38 4.82 -1.94 -0.07 -4.77 119.30 115.83 1fwi s MET 70 Ca 0.23 1.52 -0.28 0.00 -1.71 0.00 0.00 55.69 55.44 1fwi s MET 70 Cb -0.01 -1.81 -0.11 0.00 2.01 0.00 0.00 34.83 34.91 1fwi s MET 70 CO 0.07 -2.07 1.50 -2.00 -0.01 0.00 0.00 175.02 172.51 1fwi s GLU 71 N -4.44 4.09 0.00 2.03 2.12 -1.26 -2.03 118.70 119.21 1fwi s GLU 71 Ca 0.68 2.60 0.00 0.00 0.36 0.00 0.00 54.97 58.61 1fwi s GLU 71 Cb -0.23 -2.96 0.00 0.00 0.26 0.00 0.00 34.13 31.20 1fwi s GLU 71 CO 0.52 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 1fwi n GLY 72 N 0.49 2.94 0.07 -1.50 0.00 -1.26 -4.91 105.19 101.02 1fwi n GLY 72 Ca 0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1fwi n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fwi h VAL 73 N 0.00 1.10 -0.91 1.61 2.07 -1.77 -2.68 116.25 115.68 1fwi h VAL 73 Ca 0.00 -0.28 0.17 0.00 0.82 0.00 0.00 66.70 67.41 1fwi h VAL 73 Cb 0.00 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 1fwi h VAL 73 CO 0.00 0.09 0.59 -0.65 0.02 0.00 0.00 177.57 177.61 1fwi h PRO 74 N 0.04 0.56 0.00 1.57 0.11 -1.90 0.08 132.00 132.46 1fwi h PRO 74 Ca 0.03 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1fwi h PRO 74 Cb 0.10 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 31.08 1fwi h PRO 74 CO -0.00 0.37 0.00 0.93 -0.21 0.00 0.00 178.00 179.09 1fwi h GLU 75 N 0.58 0.00 -0.00 1.05 3.07 -1.86 -2.87 114.58 114.54 1fwi h GLU 75 Ca 0.47 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.33 1fwi h GLU 75 Cb 0.92 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.83 1fwi h GLU 75 CO -0.22 0.00 -0.26 -1.33 -1.40 0.00 0.00 179.01 175.80 1fwi n MET 76 N -2.82 0.21 -3.74 2.33 2.81 -0.00 -4.50 117.12 111.41 1fwi n MET 76 Ca 0.03 -0.09 -0.28 0.00 -1.81 0.00 0.00 57.70 55.55 1fwi n MET 76 Cb 0.41 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.31 1fwi n MET 76 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1fwi n ILE 77 N -1.31 0.96 0.27 2.02 5.41 -1.08 -4.93 119.36 120.70 1fwi n ILE 77 Ca 0.08 -4.53 0.15 0.00 1.00 0.00 0.00 62.75 59.45 1fwi n ILE 77 Cb 0.33 -2.05 0.75 0.00 -0.71 0.00 0.00 39.64 37.95 1fwi n ILE 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1fwi h PRO 78 N 5.34 0.00 -2.28 0.38 0.13 -1.79 -3.40 132.00 130.38 1fwi h PRO 78 Ca 0.18 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.47 1fwi h PRO 78 Cb 0.79 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.81 1fwi h PRO 78 CO 0.64 0.08 0.50 0.16 -0.23 0.00 0.00 178.00 179.15 1fwi s ASP 79 N -5.85 -0.23 -0.01 1.44 1.47 -1.26 -0.28 116.67 111.94 1fwi s ASP 79 Ca -0.01 -0.26 0.01 0.00 1.18 0.00 0.00 52.55 53.47 1fwi s ASP 79 Cb 0.11 0.44 0.00 0.00 -0.34 0.00 0.00 42.92 43.14 1fwi s ASP 79 CO 0.55 -0.79 -0.04 -0.63 0.68 0.00 0.00 175.17 174.95 1fwi s ILE 80 N -3.20 0.36 -0.01 2.11 1.01 -0.34 -4.95 121.20 116.19 1fwi s ILE 80 Ca 0.10 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.64 1fwi s ILE 80 Cb -0.01 -0.34 -0.01 0.00 0.01 0.00 0.00 42.46 42.11 1fwi s ILE 80 CO -0.02 0.13 -0.11 -1.10 0.00 0.00 0.00 174.94 173.84 1fwi s GLN 81 N 0.21 0.92 -0.05 2.79 -0.21 -1.26 -0.91 119.66 121.15 1fwi s GLN 81 Ca -0.02 -0.42 -0.26 0.00 0.02 0.00 0.00 55.36 54.68 1fwi s GLN 81 Cb -0.05 -0.89 0.06 0.00 1.00 0.00 0.00 33.01 33.12 1fwi s GLN 81 CO -0.00 0.24 0.59 0.54 -2.12 0.00 0.00 175.29 174.54 1fwi s VAL 82 N -0.29 0.01 0.15 1.09 0.11 -0.95 -5.01 120.40 115.52 1fwi s VAL 82 Ca 0.04 -0.11 0.10 0.00 -2.93 0.00 0.00 61.98 59.08 1fwi s VAL 82 Cb -0.05 -0.90 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1fwi s VAL 82 CO -0.00 -0.06 -0.20 -1.61 -3.33 0.00 0.00 175.10 169.89 1fwi s GLU 83 N -1.11 1.68 0.22 1.54 2.02 -1.26 -1.45 118.70 120.34 1fwi s GLU 83 Ca -0.11 -1.33 -0.18 0.00 0.02 0.00 0.00 54.97 53.38 1fwi s GLU 83 Cb -0.02 -2.00 0.02 0.00 0.10 0.00 0.00 34.13 32.23 1fwi s GLU 83 CO 0.08 0.44 0.56 0.00 0.02 0.00 0.00 175.26 176.37 1fwi s ALA 84 N -1.37 -0.89 -0.56 5.21 0.00 -1.18 -4.95 121.76 118.01 1fwi s ALA 84 Ca 0.19 -0.34 -0.25 0.00 0.00 0.00 0.00 51.96 51.56 1fwi s ALA 84 Cb -0.09 0.90 0.04 0.00 0.00 0.00 0.00 23.12 23.96 1fwi s ALA 84 CO 0.10 -0.87 1.01 0.99 0.00 0.00 0.00 175.76 176.99 1fwi s THR 85 N -3.91 4.29 0.72 0.00 2.01 -1.26 -2.58 115.64 114.91 1fwi s THR 85 Ca 0.12 0.44 -0.06 0.00 0.31 0.00 0.00 61.69 62.50 1fwi s THR 85 Cb -0.02 -4.59 0.08 0.00 0.01 0.00 0.00 72.50 67.98 1fwi s THR 85 CO 0.01 -1.17 1.02 -0.36 -0.69 0.00 0.00 174.62 173.43 1fwi s PHE 86 N 4.20 2.69 0.54 4.92 0.08 0.31 -4.34 117.98 126.39 1fwi s PHE 86 Ca 0.34 0.33 0.23 0.00 0.12 0.00 0.00 56.93 57.95 1fwi s PHE 86 Cb -0.11 -3.22 1.43 0.00 -0.57 0.00 0.00 43.02 40.55 1fwi s PHE 86 CO 0.21 -1.50 2.07 -1.35 -0.10 0.00 0.00 175.22 174.55 1fwi h PRO 87 N -0.63 0.00 -0.94 0.24 0.11 -1.93 -1.06 132.00 127.80 1fwi h PRO 87 Ca -0.44 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.14 1fwi h PRO 87 Cb 1.30 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.12 1fwi h PRO 87 CO 0.56 0.00 0.62 -0.40 -0.21 0.00 0.00 178.00 178.57 1fwi n ASP 88 N -4.28 4.63 0.00 -2.05 3.85 -1.26 -5.06 116.55 112.38 1fwi n ASP 88 Ca 0.04 -3.67 0.00 0.00 -0.71 0.00 0.00 54.79 50.44 1fwi n ASP 88 Cb 0.38 -0.85 0.00 0.00 -1.35 0.00 0.00 41.12 39.30 1fwi n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1fwi n GLY 89 N -1.08 -2.65 3.73 6.12 0.00 -0.40 -4.94 105.19 105.96 1fwi n GLY 89 Ca 0.58 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1fwi n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fwi s SER 90 N -2.50 6.83 0.04 1.61 0.01 -1.26 -0.53 113.70 117.90 1fwi s SER 90 Ca 0.00 2.42 -0.00 0.00 1.31 0.00 0.00 55.95 59.68 1fwi s SER 90 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1fwi s SER 90 CO 0.00 -0.61 -0.04 -0.54 0.41 0.00 0.00 173.24 172.47 1fwi s LYS 91 N 0.34 0.48 -0.21 12.44 -0.14 -1.07 -4.92 119.74 126.67 1fwi s LYS 91 Ca 0.60 -0.91 -0.10 0.00 -1.36 0.00 0.00 55.97 54.21 1fwi s LYS 91 Cb -0.38 0.09 -0.05 0.00 -1.68 0.00 0.00 37.83 35.81 1fwi s LYS 91 CO 0.36 -0.06 0.13 -1.17 -0.76 0.00 0.00 175.35 173.84 1fwi s LEU 92 N -2.14 4.11 -0.16 3.17 2.96 -1.26 -3.10 118.68 122.26 1fwi s LEU 92 Ca -0.05 0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 54.00 1fwi s LEU 92 Cb -0.02 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.58 1fwi s LEU 92 CO -0.05 0.14 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.36 1fwi s VAL 93 N 0.59 3.50 -0.17 1.68 1.01 -0.53 -5.00 120.40 121.48 1fwi s VAL 93 Ca 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.57 1fwi s VAL 93 Cb -0.12 -2.52 0.02 0.00 0.00 0.00 0.00 36.38 33.76 1fwi s VAL 93 CO 0.00 0.49 -0.19 -0.89 0.00 0.00 0.00 175.10 174.51 1fwi s THR 94 N 0.55 1.99 -0.32 3.92 2.01 -1.26 -2.23 115.64 120.30 1fwi s THR 94 Ca -0.05 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 60.96 1fwi s THR 94 Cb -0.15 -1.80 0.00 0.00 0.01 0.00 0.00 72.50 70.56 1fwi s THR 94 CO 0.03 0.53 0.14 -0.69 -0.69 0.00 0.00 174.62 173.94 1fwi s VAL 95 N 1.31 4.45 0.10 3.82 1.01 -0.08 -4.75 120.40 126.26 1fwi s VAL 95 Ca 0.05 -0.55 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 1fwi s VAL 95 Cb -0.13 -3.31 -0.07 0.00 0.00 0.00 0.00 36.38 32.87 1fwi s VAL 95 CO -0.12 0.02 0.59 -1.00 0.00 0.00 0.00 175.10 174.59 1fwi s HIS 96 N 1.58 3.77 -1.14 5.22 3.76 -1.26 -1.19 115.29 126.02 1fwi s HIS 96 Ca 0.04 1.27 -0.28 0.00 -0.15 0.00 0.00 55.06 55.94 1fwi s HIS 96 Cb -0.17 -2.50 0.04 0.00 1.11 0.00 0.00 32.58 31.05 1fwi s HIS 96 CO 0.05 0.53 0.66 0.09 -0.85 0.00 0.00 174.74 175.23 1fwi n ASN 97 N 1.46 -4.24 0.18 1.40 3.02 0.61 -4.85 115.26 112.85 1fwi n ASN 97 Ca -0.08 -1.25 0.06 0.00 -0.03 0.00 0.00 54.58 53.28 1fwi n ASN 97 Cb 0.51 -1.59 0.53 0.00 -0.61 0.00 0.00 39.78 38.62 1fwi n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fwi h PRO 98 N -2.18 0.14 -5.06 3.52 0.13 -1.77 -3.41 132.00 123.37 1fwi h PRO 98 Ca -0.70 -0.02 -0.65 0.00 -0.87 0.00 0.00 66.00 63.76 1fwi h PRO 98 Cb 1.41 -0.03 -0.24 0.00 0.13 0.00 0.00 31.00 32.27 1fwi h PRO 98 CO 0.49 0.16 -0.66 0.42 -0.23 0.00 0.00 178.00 178.18 1fwi s ILE 99 N -5.01 3.93 0.00 -3.56 1.01 -1.26 -4.33 121.20 111.97 1fwi s ILE 99 Ca -0.05 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1fwi s ILE 99 Cb 0.17 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.84 1fwi s ILE 99 CO 0.70 0.41 0.01 2.30 0.00 0.00 0.00 174.94 178.35