#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwa n GLU 2 N 0.00 -2.98 -2.25 0.03 4.71 -1.26 -4.90 120.64 113.99 1fwa n GLU 2 Ca 0.00 0.55 -0.42 0.00 -0.01 0.00 0.00 57.16 57.28 1fwa n GLU 2 Cb 0.00 -4.74 -0.03 0.00 -1.01 0.00 0.00 31.44 25.66 1fwa n GLU 2 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1fwa s LEU 3 N -6.51 4.33 0.74 -4.62 1.43 -1.26 -5.02 118.68 107.77 1fwa s LEU 3 Ca 0.23 2.12 -0.10 0.00 -1.03 0.00 0.00 54.13 55.34 1fwa s LEU 3 Cb -0.07 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.64 1fwa s LEU 3 CO 0.84 -0.67 1.11 0.42 0.23 0.00 0.00 176.35 178.27 1fwa s THR 4 N 2.04 2.63 0.23 5.49 -4.23 -1.26 -4.89 115.64 115.64 1fwa s THR 4 Ca 0.63 0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 61.17 1fwa s THR 4 Cb -0.32 -3.18 0.18 0.00 1.34 0.00 0.00 72.50 70.52 1fwa s THR 4 CO 0.27 -0.23 1.78 -0.65 -0.54 0.00 0.00 174.62 175.25 1fwa h PRO 5 N -0.79 0.60 -0.21 3.99 0.11 -2.00 -2.36 132.00 131.34 1fwa h PRO 5 Ca -0.45 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1fwa h PRO 5 Cb 1.30 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1fwa h PRO 5 CO 0.64 0.39 0.02 0.07 -0.21 0.00 0.00 178.00 178.91 1fwa h ARG 6 N 0.61 0.30 -0.21 1.05 0.11 -1.99 -0.28 114.38 113.98 1fwa h ARG 6 Ca 0.35 -0.04 -0.20 0.00 0.10 0.00 0.00 59.98 60.18 1fwa h ARG 6 Cb 0.36 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1fwa h ARG 6 CO -0.26 0.32 -0.66 0.93 0.10 0.00 0.00 179.97 180.39 1fwa h GLU 7 N 0.30 0.80 -0.10 0.08 5.08 -1.81 -2.39 114.58 116.54 1fwa h GLU 7 Ca 0.07 -0.58 -0.11 0.00 -1.00 0.00 0.00 59.36 57.74 1fwa h GLU 7 Cb 0.18 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1fwa h GLU 7 CO 0.00 1.20 -0.44 0.87 -1.00 0.00 0.00 179.01 179.64 1fwa h LYS 8 N 0.58 0.24 -0.49 2.33 1.57 -1.08 -2.78 116.57 116.94 1fwa h LYS 8 Ca -0.02 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 1fwa h LYS 8 Cb 1.27 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.57 1fwa h LYS 8 CO 0.14 0.64 -0.00 0.22 -0.57 0.00 0.00 179.45 179.88 1fwa h ASP 9 N 0.20 0.85 0.38 0.86 -0.00 -0.92 -2.65 116.42 115.13 1fwa h ASP 9 Ca 0.02 -0.31 -0.03 0.00 -0.00 0.00 0.00 57.03 56.71 1fwa h ASP 9 Cb 0.86 -0.23 -0.00 0.00 -0.00 0.00 0.00 39.33 39.96 1fwa h ASP 9 CO 0.07 0.95 -0.13 0.11 -0.00 0.00 0.00 179.24 180.24 1fwa h LYS 10 N 0.73 0.00 0.00 0.28 1.79 -1.25 -1.21 116.57 116.91 1fwa h LYS 10 Ca 0.14 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.57 1fwa h LYS 10 Cb 0.52 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1fwa h LYS 10 CO 0.03 0.13 -0.20 -0.07 -1.08 0.00 0.00 179.45 178.25 1fwa h LEU 11 N 0.00 0.00 -0.22 2.94 3.38 -1.20 -0.77 115.31 119.44 1fwa h LEU 11 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1fwa h LEU 11 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1fwa h LEU 11 CO 0.02 0.20 -0.47 0.25 0.09 0.00 0.00 178.44 178.53 1fwa h LEU 12 N 0.00 0.80 -0.39 1.67 6.46 -1.24 -2.15 115.31 120.46 1fwa h LEU 12 Ca -0.00 -0.55 -0.04 0.00 -0.12 0.00 0.00 57.88 57.17 1fwa h LEU 12 Cb 0.48 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1fwa h LEU 12 CO 0.03 1.20 0.09 0.25 -0.62 0.00 0.00 178.44 179.38 1fwa h LEU 13 N 0.42 0.60 -0.32 2.25 5.85 -1.32 -1.20 115.31 121.60 1fwa h LEU 13 Ca 0.00 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.51 1fwa h LEU 13 Cb 1.07 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1fwa h LEU 13 CO 0.10 0.68 0.15 0.15 -0.34 0.00 0.00 178.44 179.19 1fwa h PHE 14 N 0.49 0.28 -0.70 1.25 3.57 -1.17 -1.34 116.94 119.32 1fwa h PHE 14 Ca 0.12 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.57 1fwa h PHE 14 Cb 0.32 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 1fwa h PHE 14 CO 0.02 0.14 0.18 1.15 -2.23 0.00 0.00 178.31 177.58 1fwa h THR 15 N 0.32 1.26 -0.53 4.41 2.02 -1.26 -1.80 112.91 117.33 1fwa h THR 15 Ca 0.14 -0.95 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1fwa h THR 15 Cb 0.06 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1fwa h THR 15 CO -0.11 0.36 0.25 0.00 0.37 0.00 0.00 175.52 176.39 1fwa h ALA 16 N 1.08 1.45 -0.02 6.16 0.00 -0.84 -1.84 119.26 125.25 1fwa h ALA 16 Ca 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1fwa h ALA 16 Cb 0.35 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1fwa h ALA 16 CO 0.00 0.44 -0.54 0.00 0.00 0.00 0.00 179.25 179.15 1fwa h ALA 17 N 1.53 1.06 -0.69 0.00 0.00 -0.69 -2.90 119.26 117.58 1fwa h ALA 17 Ca 0.18 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 1fwa h ALA 17 Cb 0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1fwa h ALA 17 CO -0.02 0.68 0.13 -0.07 0.00 0.00 0.00 179.25 179.96 1fwa h LEU 18 N 0.05 1.08 0.03 0.00 3.38 -0.51 -0.97 115.31 118.37 1fwa h LEU 18 Ca -0.00 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.73 1fwa h LEU 18 Cb 0.97 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1fwa h LEU 18 CO 0.07 1.06 -0.09 0.58 0.09 0.00 0.00 178.44 180.15 1fwa h VAL 19 N 1.06 0.77 -0.66 1.22 2.07 -1.33 -2.38 116.25 117.00 1fwa h VAL 19 Ca 0.21 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1fwa h VAL 19 Cb 0.43 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1fwa h VAL 19 CO 0.01 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.92 1fwa h ALA 20 N 0.78 0.86 -0.33 1.67 0.00 -1.35 -2.62 119.26 118.26 1fwa h ALA 20 Ca 0.03 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1fwa h ALA 20 Cb 0.20 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1fwa h ALA 20 CO -0.07 0.42 0.08 1.49 0.00 0.00 0.00 179.25 181.17 1fwa h GLU 21 N 0.92 0.20 -0.48 0.00 4.81 -1.07 0.85 114.58 119.82 1fwa h GLU 21 Ca 0.23 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.39 1fwa h GLU 21 Cb 0.11 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1fwa h GLU 21 CO -0.03 0.14 0.08 0.00 -0.73 0.00 0.00 179.01 178.46 1fwa h ARG 22 N 0.21 0.74 -0.27 1.92 3.08 -1.25 -1.55 114.38 117.27 1fwa h ARG 22 Ca 0.15 -0.16 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 1fwa h ARG 22 Cb 0.15 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1fwa h ARG 22 CO -0.18 0.70 -0.59 0.00 -1.07 0.00 0.00 179.97 178.83 1fwa h ARG 23 N 0.71 0.87 -0.80 0.04 3.08 -1.04 -2.46 114.38 114.79 1fwa h ARG 23 Ca 0.15 -0.58 -0.03 0.00 0.07 0.00 0.00 59.98 59.60 1fwa h ARG 23 Cb 0.33 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1fwa h ARG 23 CO 0.00 1.21 0.39 1.25 -1.07 0.00 0.00 179.97 181.75 1fwa h LEU 24 N 0.65 1.03 -1.53 3.04 5.85 -0.64 -1.85 115.31 121.87 1fwa h LEU 24 Ca 0.00 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 1fwa h LEU 24 Cb 1.20 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 1fwa h LEU 24 CO 0.13 0.87 -0.04 0.00 -0.34 0.00 0.00 178.44 179.06 1fwa h ALA 25 N 1.29 1.62 0.00 1.25 0.00 -1.12 -0.82 119.26 121.48 1fwa h ALA 25 Ca 0.28 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1fwa h ALA 25 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1fwa h ALA 25 CO -0.04 0.28 0.00 0.54 0.00 0.00 0.00 179.25 180.04 1fwa n ARG 26 N -4.35 0.15 -0.18 0.00 1.74 -0.74 -4.91 116.66 108.37 1fwa n ARG 26 Ca -0.00 0.22 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 1fwa n ARG 26 Cb 0.20 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 1fwa n ARG 26 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fwa n GLY 27 N 0.87 0.89 3.86 -0.13 0.00 -0.31 -5.08 105.19 105.29 1fwa n GLY 27 Ca 0.05 -0.18 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 1fwa n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fwa s LEU 28 N 0.00 3.89 -0.28 0.99 1.43 -0.94 -5.03 118.68 118.74 1fwa s LEU 28 Ca 0.00 1.21 -0.23 0.00 -1.03 0.00 0.00 54.13 54.07 1fwa s LEU 28 Cb 0.00 -4.06 -0.00 0.00 0.03 0.00 0.00 46.19 42.15 1fwa s LEU 28 CO 0.00 -0.35 0.77 -0.54 0.23 0.00 0.00 176.35 176.46 1fwa s LYS 29 N -3.58 4.06 0.59 1.70 1.02 -1.26 -4.53 119.74 117.74 1fwa s LYS 29 Ca 0.53 0.68 -0.19 0.00 0.02 0.00 0.00 55.97 57.01 1fwa s LYS 29 Cb -0.10 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.48 1fwa s LYS 29 CO 0.27 -0.58 1.20 -0.51 -0.92 0.00 0.00 175.35 174.81 1fwa s LEU 30 N 2.83 3.66 0.00 3.17 1.43 -0.15 -4.33 118.68 125.29 1fwa s LEU 30 Ca 0.32 2.36 0.01 0.00 -1.03 0.00 0.00 54.13 55.78 1fwa s LEU 30 Cb -0.15 -4.60 0.03 0.00 0.03 0.00 0.00 46.19 41.50 1fwa s LEU 30 CO 0.10 -1.58 0.20 -0.46 0.23 0.00 0.00 176.35 174.85 1fwa n ASN 31 N -1.61 0.38 0.35 2.29 0.23 -1.26 -0.84 115.26 114.79 1fwa n ASN 31 Ca 0.13 -1.29 -0.16 0.00 -0.53 0.00 0.00 54.58 52.73 1fwa n ASN 31 Cb 0.50 -0.12 -0.08 0.00 -2.08 0.00 0.00 39.78 38.00 1fwa n ASN 31 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1fwa h TYR 32 N -0.22 -1.06 -0.79 -2.53 3.20 -1.96 -1.69 116.97 111.91 1fwa h TYR 32 Ca -0.07 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.81 1fwa h TYR 32 Cb 0.27 0.38 -0.04 0.00 1.54 0.00 0.00 36.73 38.88 1fwa h TYR 32 CO 0.00 -0.59 0.52 -1.00 -1.64 0.00 0.00 178.16 175.45 1fwa h PRO 33 N -0.98 1.02 -0.67 1.82 0.13 -2.00 -2.42 132.00 128.90 1fwa h PRO 33 Ca -0.09 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 64.96 1fwa h PRO 33 Cb 0.78 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 31.65 1fwa h PRO 33 CO 0.09 0.67 0.33 0.93 -0.23 0.00 0.00 178.00 179.79 1fwa h GLU 34 N 1.05 0.95 -0.27 0.86 5.08 -1.91 -1.84 114.58 118.50 1fwa h GLU 34 Ca 0.30 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1fwa h GLU 34 Cb -0.08 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1fwa h GLU 34 CO -0.07 0.75 0.08 0.77 -1.00 0.00 0.00 179.01 179.54 1fwa h SER 35 N 0.92 0.40 -0.64 1.42 0.02 -0.94 -1.69 113.55 113.04 1fwa h SER 35 Ca 0.23 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1fwa h SER 35 Cb 0.10 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1fwa h SER 35 CO -0.03 0.50 0.37 0.58 -1.14 0.00 0.00 176.83 177.11 1fwa h VAL 36 N 0.27 1.19 -0.37 2.27 2.07 -1.31 -2.37 116.25 118.00 1fwa h VAL 36 Ca 0.09 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1fwa h VAL 36 Cb 0.24 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1fwa h VAL 36 CO -0.00 0.20 0.02 0.00 0.02 0.00 0.00 177.57 177.81 1fwa h ALA 37 N 1.19 0.49 -0.12 1.67 0.00 -1.26 -1.81 119.26 119.42 1fwa h ALA 37 Ca 0.23 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1fwa h ALA 37 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1fwa h ALA 37 CO -0.04 0.24 0.07 1.25 0.00 0.00 0.00 179.25 180.77 1fwa h LEU 38 N 0.46 0.14 -0.57 0.00 5.85 -1.13 -0.68 115.31 119.38 1fwa h LEU 38 Ca 0.11 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 1fwa h LEU 38 Cb 0.43 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1fwa h LEU 38 CO 0.02 0.16 -0.20 0.40 -0.34 0.00 0.00 178.44 178.48 1fwa h ILE 39 N 0.11 1.27 -0.07 4.05 2.04 -1.47 -2.33 117.51 121.11 1fwa h ILE 39 Ca 0.04 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1fwa h ILE 39 Cb 0.05 1.12 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1fwa h ILE 39 CO -0.01 0.46 0.04 0.28 0.00 0.00 0.00 178.15 178.92 1fwa h SER 40 N 0.82 0.08 -0.08 1.72 0.02 -1.18 -2.36 113.55 112.57 1fwa h SER 40 Ca 0.11 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1fwa h SER 40 Cb 0.76 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 1fwa h SER 40 CO 0.06 0.14 0.00 0.00 -1.14 0.00 0.00 176.83 175.90 1fwa h ALA 41 N 0.94 1.72 -0.24 3.77 0.00 -1.08 -1.95 119.26 122.42 1fwa h ALA 41 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1fwa h ALA 41 Cb 0.08 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1fwa h ALA 41 CO -0.00 0.22 0.11 0.35 0.00 0.00 0.00 179.25 179.92 1fwa h PHE 42 N 0.22 0.36 -0.76 0.00 3.57 -1.00 -2.63 116.94 116.70 1fwa h PHE 42 Ca 0.05 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.48 1fwa h PHE 42 Cb 0.15 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1fwa h PHE 42 CO 0.00 0.36 0.29 0.82 -2.23 0.00 0.00 178.31 177.55 1fwa h ILE 43 N 0.25 1.26 -0.90 1.41 2.04 -0.88 -1.96 117.51 118.73 1fwa h ILE 43 Ca 0.08 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.10 1fwa h ILE 43 Cb 0.14 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1fwa h ILE 43 CO -0.01 0.34 0.54 0.24 0.00 0.00 0.00 178.15 179.26 1fwa h MET 44 N 1.11 1.23 -0.07 2.37 2.86 -1.22 -1.42 114.93 119.78 1fwa h MET 44 Ca 0.25 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.65 1fwa h MET 44 Cb 0.24 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.63 1fwa h MET 44 CO -0.02 0.86 -0.54 0.93 1.06 0.00 0.00 176.91 179.21 1fwa h GLU 45 N 1.25 0.21 -0.40 1.72 4.39 -1.25 -2.33 114.58 118.16 1fwa h GLU 45 Ca 0.32 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 1fwa h GLU 45 Cb -0.05 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1fwa h GLU 45 CO -0.06 0.69 0.24 0.78 -1.16 0.00 0.00 179.01 179.50 1fwa h GLY 46 N 1.42 0.58 1.10 -3.84 0.00 -0.52 -0.79 103.07 101.01 1fwa h GLY 46 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 1fwa h GLY 46 CO 0.08 0.23 0.35 0.00 0.00 0.00 0.00 176.54 177.21 1fwa h ALA 47 N 1.11 1.13 -0.20 3.60 0.00 -1.12 -1.90 119.26 121.87 1fwa h ALA 47 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1fwa h ALA 47 Cb -0.00 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1fwa h ALA 47 CO -0.03 0.64 -0.06 -0.09 0.00 0.00 0.00 179.25 179.72 1fwa h ARG 48 N 1.14 0.31 0.00 0.00 9.65 -0.89 -1.83 114.38 122.75 1fwa h ARG 48 Ca 0.27 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 59.05 1fwa h ARG 48 Cb 0.15 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.68 1fwa h ARG 48 CO -0.03 0.39 -0.18 -0.44 2.80 0.00 0.00 179.97 182.51 1fwa h ASP 49 N 0.30 0.00 0.00 -3.80 3.32 -0.41 -3.47 116.42 112.35 1fwa h ASP 49 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1fwa h ASP 49 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 1fwa h ASP 49 CO 0.01 0.18 0.00 0.61 -1.72 0.00 0.00 179.24 178.32 1fwa n GLY 50 N 0.45 1.09 3.79 2.75 0.00 -0.69 -5.09 105.19 107.49 1fwa n GLY 50 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1fwa n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fwa s LYS 51 N -0.36 3.13 0.66 1.61 1.02 -0.82 -4.94 119.74 120.03 1fwa s LYS 51 Ca 0.00 1.32 -0.11 0.00 0.02 0.00 0.00 55.97 57.20 1fwa s LYS 51 Cb 0.00 -2.00 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1fwa s LYS 51 CO 0.00 -0.98 1.06 -1.54 -0.92 0.00 0.00 175.35 172.97 1fwa s SER 52 N -2.59 5.90 0.18 2.83 1.04 -1.26 -4.65 113.70 115.15 1fwa s SER 52 Ca 0.66 1.32 -0.13 0.00 0.48 0.00 0.00 55.95 58.27 1fwa s SER 52 Cb -0.18 -2.27 0.09 0.00 0.10 0.00 0.00 66.02 63.76 1fwa s SER 52 CO 0.37 -1.07 1.84 0.58 0.98 0.00 0.00 173.24 175.94 1fwa h VAL 53 N -0.46 1.16 -0.61 5.02 2.07 -1.96 -2.44 116.25 119.02 1fwa h VAL 53 Ca -0.44 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 66.81 1fwa h VAL 53 Cb 1.21 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 1fwa h VAL 53 CO 0.62 0.15 0.35 0.00 0.02 0.00 0.00 177.57 178.72 1fwa h ALA 54 N 1.20 0.80 -0.58 1.67 0.00 -1.97 -0.60 119.26 119.79 1fwa h ALA 54 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1fwa h ALA 54 Cb -0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1fwa h ALA 54 CO -0.04 0.05 0.16 0.77 0.00 0.00 0.00 179.25 180.19 1fwa h SER 55 N 0.67 0.85 -0.36 0.00 0.02 -1.90 -3.03 113.55 109.80 1fwa h SER 55 Ca 0.26 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 1fwa h SER 55 Cb 0.10 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1fwa h SER 55 CO -0.14 0.85 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.11 1fwa h LEU 56 N 0.82 0.88 -2.07 5.07 3.38 -0.98 0.30 115.31 122.71 1fwa h LEU 56 Ca 0.18 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.93 1fwa h LEU 56 Cb 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1fwa h LEU 56 CO -0.00 1.06 0.30 0.24 0.09 0.00 0.00 178.44 180.13 1fwa h MET 57 N 0.75 0.00 0.00 1.13 2.86 -1.00 0.33 114.93 118.99 1fwa h MET 57 Ca 0.10 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 1fwa h MET 57 Cb 0.76 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 1fwa h MET 57 CO 0.06 0.00 -0.83 1.49 1.06 0.00 0.00 176.91 178.69 1fwa h GLU 58 N 0.00 0.00 -0.76 1.72 4.57 -1.42 -3.40 114.58 115.29 1fwa h GLU 58 Ca 0.16 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.48 1fwa h GLU 58 Cb 0.75 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.29 1fwa h GLU 58 CO -0.00 0.44 0.50 0.93 -1.18 0.00 0.00 179.01 179.70 1fwa h GLU 59 N -1.00 0.45 0.00 1.92 5.08 -0.67 -1.43 114.58 118.93 1fwa h GLU 59 Ca -0.15 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1fwa h GLU 59 Cb 0.85 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1fwa h GLU 59 CO -0.09 0.30 -0.00 0.78 -1.00 0.00 0.00 179.01 178.99 1fwa h GLY 60 N 0.46 0.00 -0.19 -3.84 0.00 -1.14 -1.62 103.07 96.74 1fwa h GLY 60 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1fwa h GLY 60 CO -0.12 0.00 0.00 0.54 0.00 0.00 0.00 176.54 176.96 1fwa n ARG 61 N -3.13 1.38 -0.48 4.80 1.74 -0.54 -3.78 116.66 116.66 1fwa n ARG 61 Ca -0.03 -0.58 0.06 0.00 -0.77 0.00 0.00 57.85 56.54 1fwa n ARG 61 Cb 0.10 -1.33 0.13 0.00 -1.02 0.00 0.00 32.46 30.34 1fwa n ARG 61 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1fwa n HIS 62 N -0.19 0.00 0.01 -1.55 8.25 -0.61 -4.69 115.22 116.44 1fwa n HIS 62 Ca 0.14 -0.94 -0.22 0.00 -0.26 0.00 0.00 57.72 56.45 1fwa n HIS 62 Cb 0.20 -0.17 -0.14 0.00 1.12 0.00 0.00 29.99 31.00 1fwa n HIS 62 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1fwa h VAL 63 N 2.27 0.83 -3.98 1.59 2.07 -1.69 -3.47 116.25 113.87 1fwa h VAL 63 Ca -0.03 -2.38 -0.35 0.00 0.82 0.00 0.00 66.70 64.77 1fwa h VAL 63 Cb 1.17 2.59 -0.25 0.00 -1.52 0.00 0.00 31.29 33.29 1fwa h VAL 63 CO 0.01 0.78 -0.76 -0.76 0.02 0.00 0.00 177.57 176.87 1fwa s LEU 64 N -7.32 2.15 0.38 2.57 1.43 -1.26 -5.09 118.68 111.54 1fwa s LEU 64 Ca -0.21 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 52.59 1fwa s LEU 64 Cb 0.06 -0.35 -0.04 0.00 0.03 0.00 0.00 46.19 45.89 1fwa s LEU 64 CO 0.77 -0.04 0.17 0.42 0.23 0.00 0.00 176.35 177.90 1fwa s THR 65 N -0.82 2.68 0.54 5.49 -4.23 -1.26 -4.25 115.64 113.80 1fwa s THR 65 Ca -0.02 -1.68 0.24 0.00 -1.18 0.00 0.00 61.69 59.05 1fwa s THR 65 Cb -0.07 -2.98 0.35 0.00 1.34 0.00 0.00 72.50 71.15 1fwa s THR 65 CO 0.00 -0.09 2.07 -0.09 -0.54 0.00 0.00 174.62 175.97 1fwa h ARG 66 N 1.46 0.00 -0.00 3.99 2.43 -1.89 -1.12 114.38 119.25 1fwa h ARG 66 Ca -0.43 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 1fwa h ARG 66 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1fwa h ARG 66 CO 0.65 0.00 -0.04 -0.85 -1.51 0.00 0.00 179.97 178.22 1fwa n GLU 67 N -4.26 0.46 0.00 0.20 0.00 -1.26 -3.28 120.64 112.49 1fwa n GLU 67 Ca 0.04 -0.05 0.10 0.00 0.00 0.00 0.00 57.16 57.24 1fwa n GLU 67 Cb 0.38 -1.50 0.06 0.00 0.00 0.00 0.00 31.44 30.38 1fwa n GLU 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1fwa n GLN 68 N -1.22 1.67 -4.40 3.44 6.02 -0.43 -4.96 117.38 117.50 1fwa n GLN 68 Ca 0.14 -1.44 -0.21 0.00 -0.01 0.00 0.00 57.00 55.48 1fwa n GLN 68 Cb 0.26 -1.37 -0.10 0.00 1.02 0.00 0.00 30.24 30.04 1fwa n GLN 68 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 1fwa s VAL 69 N -1.79 1.89 0.83 5.09 -7.23 -1.21 -0.98 120.40 117.01 1fwa s VAL 69 Ca 0.21 -2.23 -0.10 0.00 -1.81 0.00 0.00 61.98 58.04 1fwa s VAL 69 Cb 0.16 -2.24 0.09 0.00 0.56 0.00 0.00 36.38 34.95 1fwa s VAL 69 CO 0.31 -0.45 1.11 -0.04 -0.31 0.00 0.00 175.10 175.72 1fwa s MET 70 N -3.64 1.78 0.40 4.82 -1.94 -0.02 -4.77 119.30 115.94 1fwa s MET 70 Ca 0.26 1.28 -0.27 0.00 -1.71 0.00 0.00 55.69 55.26 1fwa s MET 70 Cb -0.00 -1.83 -0.10 0.00 2.01 0.00 0.00 34.83 34.90 1fwa s MET 70 CO 0.10 -2.01 1.46 -2.00 -0.01 0.00 0.00 175.02 172.56 1fwa s GLU 71 N -4.82 3.97 0.00 2.03 2.12 -1.26 -2.34 118.70 118.40 1fwa s GLU 71 Ca 0.63 2.50 0.00 0.00 0.36 0.00 0.00 54.97 58.47 1fwa s GLU 71 Cb -0.19 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.34 1fwa s GLU 71 CO 0.57 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 175.08 1fwa n GLY 72 N 0.51 3.04 0.22 -1.50 0.00 -1.26 -4.89 105.19 101.31 1fwa n GLY 72 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 1fwa n GLY 72 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1fwa h VAL 73 N 0.00 1.10 -0.74 1.61 2.07 -1.84 -2.54 116.25 115.91 1fwa h VAL 73 Ca 0.00 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1fwa h VAL 73 Cb 0.00 0.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.08 1fwa h VAL 73 CO 0.00 0.12 0.49 -0.65 0.02 0.00 0.00 177.57 177.55 1fwa h PRO 74 N 0.67 0.64 0.00 1.57 0.11 -1.90 -0.82 132.00 132.27 1fwa h PRO 74 Ca 0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1fwa h PRO 74 Cb -0.03 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 30.93 1fwa h PRO 74 CO -0.07 0.42 0.00 0.93 -0.21 0.00 0.00 178.00 179.07 1fwa h GLU 75 N 0.66 0.00 -0.00 1.05 3.07 -1.83 -2.95 114.58 114.58 1fwa h GLU 75 Ca 0.34 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.20 1fwa h GLU 75 Cb 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.36 1fwa h GLU 75 CO -0.12 0.00 -0.24 -1.33 -1.40 0.00 0.00 179.01 175.92 1fwa n MET 76 N -2.63 0.04 -3.56 2.33 2.81 -0.33 -4.42 117.12 111.36 1fwa n MET 76 Ca 0.04 -0.02 -0.27 0.00 -1.81 0.00 0.00 57.70 55.65 1fwa n MET 76 Cb 0.43 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.35 1fwa n MET 76 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1fwa n ILE 77 N -1.46 1.42 0.31 2.02 5.41 -1.10 -4.91 119.36 121.04 1fwa n ILE 77 Ca 0.07 -4.79 0.19 0.00 1.00 0.00 0.00 62.75 59.22 1fwa n ILE 77 Cb 0.33 -2.07 0.96 0.00 -0.71 0.00 0.00 39.64 38.16 1fwa n ILE 77 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1fwa h PRO 78 N 4.72 0.00 -2.02 0.38 0.13 -1.77 -3.39 132.00 130.04 1fwa h PRO 78 Ca 0.17 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.46 1fwa h PRO 78 Cb 0.74 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.71 1fwa h PRO 78 CO 0.71 0.02 0.60 0.16 -0.23 0.00 0.00 178.00 179.26 1fwa s ASP 79 N -5.56 -0.28 -0.01 1.44 1.47 -1.26 -0.27 116.67 112.19 1fwa s ASP 79 Ca -0.03 -0.02 0.04 0.00 1.18 0.00 0.00 52.55 53.72 1fwa s ASP 79 Cb 0.12 0.31 -0.01 0.00 -0.34 0.00 0.00 42.92 43.00 1fwa s ASP 79 CO 0.49 -0.51 -0.13 -0.63 0.68 0.00 0.00 175.17 175.08 1fwa s ILE 80 N -2.90 1.01 -0.01 2.11 1.01 -0.34 -4.95 121.20 117.13 1fwa s ILE 80 Ca 0.07 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.21 1fwa s ILE 80 Cb -0.01 -0.85 -0.00 0.00 0.01 0.00 0.00 42.46 41.61 1fwa s ILE 80 CO -0.07 0.29 -0.09 -1.10 0.00 0.00 0.00 174.94 173.97 1fwa s GLN 81 N -0.22 0.80 -0.05 2.79 -0.21 -1.26 -0.79 119.66 120.73 1fwa s GLN 81 Ca 0.03 -0.30 -0.26 0.00 0.02 0.00 0.00 55.36 54.85 1fwa s GLN 81 Cb -0.06 -0.77 0.06 0.00 1.00 0.00 0.00 33.01 33.24 1fwa s GLN 81 CO -0.00 0.15 0.57 0.54 -2.12 0.00 0.00 175.29 174.43 1fwa s VAL 82 N -0.03 0.02 0.13 1.09 0.11 -0.96 -5.01 120.40 115.75 1fwa s VAL 82 Ca 0.01 -0.14 0.10 0.00 -2.93 0.00 0.00 61.98 59.01 1fwa s VAL 82 Cb -0.06 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1fwa s VAL 82 CO -0.00 -0.08 -0.20 -1.61 -3.33 0.00 0.00 175.10 169.88 1fwa s GLU 83 N -1.16 1.69 0.17 1.54 2.02 -1.26 -1.35 118.70 120.36 1fwa s GLU 83 Ca -0.11 -1.26 -0.18 0.00 0.02 0.00 0.00 54.97 53.44 1fwa s GLU 83 Cb -0.02 -2.04 0.04 0.00 0.10 0.00 0.00 34.13 32.21 1fwa s GLU 83 CO 0.08 0.46 0.50 0.00 0.02 0.00 0.00 175.26 176.32 1fwa s ALA 84 N -1.23 -1.03 -0.57 5.21 0.00 -1.14 -4.95 121.76 118.05 1fwa s ALA 84 Ca 0.18 -0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.79 1fwa s ALA 84 Cb -0.10 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.87 1fwa s ALA 84 CO 0.10 -0.75 1.16 0.99 0.00 0.00 0.00 175.76 177.25 1fwa s THR 85 N -3.84 4.07 0.76 0.00 2.01 -1.26 -2.53 115.64 114.86 1fwa s THR 85 Ca 0.06 0.83 -0.08 0.00 0.31 0.00 0.00 61.69 62.81 1fwa s THR 85 Cb -0.00 -4.70 0.10 0.00 0.01 0.00 0.00 72.50 67.91 1fwa s THR 85 CO -0.07 -1.31 1.08 -0.36 -0.69 0.00 0.00 174.62 173.28 1fwa s PHE 86 N 4.82 2.47 0.56 4.92 0.08 0.58 -4.39 117.98 127.01 1fwa s PHE 86 Ca 0.41 0.34 0.24 0.00 0.12 0.00 0.00 56.93 58.04 1fwa s PHE 86 Cb -0.08 -3.37 1.52 0.00 -0.57 0.00 0.00 43.02 40.51 1fwa s PHE 86 CO 0.25 -1.72 2.14 -1.35 -0.10 0.00 0.00 175.22 174.44 1fwa h PRO 87 N -0.83 0.00 -0.93 0.24 0.11 -1.92 -1.28 132.00 127.39 1fwa h PRO 87 Ca -0.43 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.16 1fwa h PRO 87 Cb 1.29 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 32.12 1fwa h PRO 87 CO 0.54 0.00 0.60 -0.40 -0.21 0.00 0.00 178.00 178.53 1fwa n ASP 88 N -4.17 4.34 0.00 -2.05 3.85 -1.26 -5.06 116.55 112.19 1fwa n ASP 88 Ca -0.00 -3.66 0.00 0.00 -0.71 0.00 0.00 54.79 50.42 1fwa n ASP 88 Cb 0.22 -0.84 0.00 0.00 -1.35 0.00 0.00 41.12 39.15 1fwa n ASP 88 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1fwa n GLY 89 N -1.10 -2.57 3.73 6.12 0.00 -0.48 -4.94 105.19 105.94 1fwa n GLY 89 Ca 0.58 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1fwa n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1fwa s SER 90 N -2.66 6.86 0.04 1.61 0.01 -1.26 -0.31 113.70 118.00 1fwa s SER 90 Ca 0.00 2.36 -0.00 0.00 1.31 0.00 0.00 55.95 59.62 1fwa s SER 90 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1fwa s SER 90 CO 0.00 -0.59 -0.04 -0.54 0.41 0.00 0.00 173.24 172.48 1fwa s LYS 91 N 0.50 0.51 -0.21 12.44 -0.14 -1.05 -4.92 119.74 126.87 1fwa s LYS 91 Ca 0.61 -0.98 -0.09 0.00 -1.36 0.00 0.00 55.97 54.15 1fwa s LYS 91 Cb -0.37 0.11 -0.05 0.00 -1.68 0.00 0.00 37.83 35.85 1fwa s LYS 91 CO 0.34 -0.07 0.11 -1.17 -0.76 0.00 0.00 175.35 173.80 1fwa s LEU 92 N -2.31 3.99 -0.18 3.17 2.96 -1.26 -2.90 118.68 122.14 1fwa s LEU 92 Ca -0.02 0.11 -0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1fwa s LEU 92 Cb 0.00 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 1fwa s LEU 92 CO -0.06 0.12 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.39 1fwa s VAL 93 N 0.69 3.88 -0.20 1.68 1.01 -0.46 -5.00 120.40 122.00 1fwa s VAL 93 Ca 0.06 -0.35 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1fwa s VAL 93 Cb -0.13 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.55 1fwa s VAL 93 CO 0.01 0.46 -0.16 -0.89 0.00 0.00 0.00 175.10 174.52 1fwa s THR 94 N 0.75 2.26 -0.33 3.92 2.01 -1.26 -2.27 115.64 120.71 1fwa s THR 94 Ca -0.01 -1.03 -0.08 0.00 0.31 0.00 0.00 61.69 60.88 1fwa s THR 94 Cb -0.14 -2.04 0.02 0.00 0.01 0.00 0.00 72.50 70.35 1fwa s THR 94 CO 0.02 0.40 0.13 -0.69 -0.69 0.00 0.00 174.62 173.79 1fwa s VAL 95 N 1.28 4.11 0.15 3.82 1.01 0.03 -4.74 120.40 126.06 1fwa s VAL 95 Ca 0.02 -0.87 -0.27 0.00 0.00 0.00 0.00 61.98 60.85 1fwa s VAL 95 Cb -0.15 -3.24 -0.07 0.00 0.00 0.00 0.00 36.38 32.92 1fwa s VAL 95 CO -0.10 -0.10 0.85 -1.00 0.00 0.00 0.00 175.10 174.76 1fwa s HIS 96 N 1.49 3.88 -1.10 5.22 3.76 -1.26 -1.20 115.29 126.08 1fwa s HIS 96 Ca 0.01 1.72 -0.25 0.00 -0.15 0.00 0.00 55.06 56.39 1fwa s HIS 96 Cb -0.19 -2.89 0.03 0.00 1.11 0.00 0.00 32.58 30.65 1fwa s HIS 96 CO 0.04 0.40 0.66 0.09 -0.85 0.00 0.00 174.74 175.08 1fwa n ASN 97 N 2.01 -4.33 0.19 1.40 3.02 0.63 -4.84 115.26 113.34 1fwa n ASN 97 Ca -0.03 -1.21 0.11 0.00 -0.03 0.00 0.00 54.58 53.42 1fwa n ASN 97 Cb 0.49 -1.62 0.65 0.00 -0.61 0.00 0.00 39.78 38.68 1fwa n ASN 97 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1fwa h PRO 98 N -1.95 0.02 -5.10 3.52 0.13 -1.76 -3.41 132.00 123.44 1fwa h PRO 98 Ca -0.70 -0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.78 1fwa h PRO 98 Cb 1.41 -0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.28 1fwa h PRO 98 CO 0.47 0.01 -0.69 0.42 -0.23 0.00 0.00 178.00 177.98 1fwa s ILE 99 N -5.07 3.64 0.00 -3.56 1.01 -1.26 -4.29 121.20 111.67 1fwa s ILE 99 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.18 1fwa s ILE 99 Cb 0.18 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 40.01 1fwa s ILE 99 CO 0.69 0.44 0.04 2.30 0.00 0.00 0.00 174.94 178.40