#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc n ASP 4 N 0.00 2.00 0.26 6.12 2.03 -1.26 -4.75 116.55 120.95 3fwc n ASP 4 Ca 0.00 0.99 0.14 0.00 0.52 0.00 0.00 54.79 56.43 3fwc n ASP 4 Cb 0.00 -1.48 0.66 0.00 -0.72 0.00 0.00 41.12 39.58 3fwc n ASP 4 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3fwc h THR 5 N 1.44 0.38 -0.13 5.18 1.35 -2.04 0.41 112.91 119.50 3fwc h THR 5 Ca -0.48 -0.70 -0.15 0.00 -0.55 0.00 0.00 66.41 64.52 3fwc h THR 5 Cb 1.32 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 69.24 3fwc h THR 5 CO 0.56 0.12 -0.57 0.00 -0.25 0.00 0.00 175.52 175.38 3fwc h ALA 6 N 1.88 0.76 0.00 6.62 0.00 -1.99 -0.86 119.26 125.67 3fwc h ALA 6 Ca -0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 54.22 3fwc h ALA 6 Cb 0.50 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3fwc h ALA 6 CO 0.02 0.70 -0.87 1.96 0.00 0.00 0.00 179.25 181.05 3fwc h GLN 7 N 0.32 0.00 -0.11 0.00 4.20 -1.55 -2.99 115.11 114.98 3fwc h GLN 7 Ca 0.00 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.56 3fwc h GLN 7 Cb 1.10 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.89 3fwc h GLN 7 CO 0.10 0.65 -0.53 1.25 -0.67 0.00 0.00 178.83 179.63 3fwc h LEU 8 N 0.00 0.65 -0.65 1.46 5.85 -0.21 -1.90 115.31 120.50 3fwc h LEU 8 Ca -0.05 -0.64 0.12 0.00 0.84 0.00 0.00 57.88 58.16 3fwc h LEU 8 Cb 1.59 -0.19 -0.09 0.00 0.37 0.00 0.00 40.66 42.34 3fwc h LEU 8 CO 0.09 1.18 0.18 0.50 -0.34 0.00 0.00 178.44 180.05 3fwc h LYS 9 N 0.16 0.30 -0.18 1.25 3.64 -1.21 0.18 116.57 120.72 3fwc h LYS 9 Ca -0.03 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3fwc h LYS 9 Cb 1.17 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3fwc h LYS 9 CO 0.11 0.20 -0.28 0.77 -2.27 0.00 0.00 179.45 177.98 3fwc h SER 10 N 0.31 0.34 -0.03 4.20 0.02 -1.48 -1.24 113.55 115.67 3fwc h SER 10 Ca 0.35 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3fwc h SER 10 Cb 0.53 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.97 3fwc h SER 10 CO -0.41 0.61 -0.01 -0.61 -1.14 0.00 0.00 176.83 175.27 3fwc h GLN 11 N 0.30 0.05 -0.12 3.45 4.15 -0.18 -1.13 115.11 121.62 3fwc h GLN 11 Ca 0.04 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.46 3fwc h GLN 11 Cb 0.65 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 3fwc h GLN 11 CO 0.05 0.40 0.03 0.82 -1.93 0.00 0.00 178.83 178.19 3fwc h ILE 12 N -0.30 0.96 -0.63 2.39 1.08 -0.63 -0.97 117.51 119.42 3fwc h ILE 12 Ca 0.01 -0.03 0.11 0.00 -0.39 0.00 0.00 64.86 64.56 3fwc h ILE 12 Cb 0.38 0.87 -0.08 0.00 -3.07 0.00 0.00 36.82 34.92 3fwc h ILE 12 CO 0.00 0.01 0.21 -0.61 -0.69 0.00 0.00 178.15 177.08 3fwc h GLN 13 N 0.08 0.36 -0.69 2.37 4.15 -1.25 0.30 115.11 120.43 3fwc h GLN 13 Ca 0.05 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.47 3fwc h GLN 13 Cb 0.04 -0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.61 3fwc h GLN 13 CO -0.06 0.24 0.44 0.37 -1.93 0.00 0.00 178.83 177.88 3fwc h GLN 14 N 0.37 0.85 -0.78 1.69 5.75 -0.62 -1.12 115.11 121.24 3fwc h GLN 14 Ca 0.32 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.77 3fwc h GLN 14 Cb 0.44 -0.19 -0.04 0.00 1.07 0.00 0.00 27.48 28.76 3fwc h GLN 14 CO -0.35 0.56 0.47 1.88 -2.65 0.00 0.00 178.83 178.74 3fwc h TYR 15 N 0.87 1.03 0.21 3.99 -1.99 0.33 -0.72 116.97 120.69 3fwc h TYR 15 Ca 0.27 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.99 3fwc h TYR 15 Cb -0.03 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 38.37 3fwc h TYR 15 CO -0.04 0.68 -0.10 -0.07 -0.00 0.00 0.00 178.16 178.63 3fwc h LEU 16 N 1.08 -0.24 -0.09 3.88 3.38 0.13 -2.40 115.31 121.04 3fwc h LEU 16 Ca 0.28 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3fwc h LEU 16 Cb -0.04 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3fwc h LEU 16 CO -0.05 -0.11 0.01 0.58 0.09 0.00 0.00 178.44 178.95 3fwc h VAL 17 N -0.35 1.23 0.00 1.22 2.07 -1.02 -2.66 116.25 116.74 3fwc h VAL 17 Ca -0.03 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3fwc h VAL 17 Cb 0.27 1.55 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3fwc h VAL 17 CO 0.05 0.21 -0.01 -0.08 0.02 0.00 0.00 177.57 177.76 3fwc h GLU 18 N -0.10 0.00 -0.02 1.57 4.81 -1.15 -2.34 114.58 117.34 3fwc h GLU 18 Ca 0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3fwc h GLU 18 Cb 0.32 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.70 3fwc h GLU 18 CO 0.00 0.01 -0.18 -1.13 -0.73 0.00 0.00 179.01 176.98 3fwc n SER 19 N -4.18 1.78 0.00 1.04 3.41 -0.91 -4.95 113.62 109.82 3fwc n SER 19 Ca -0.03 -1.42 0.00 0.00 -0.26 0.00 0.00 58.87 57.16 3fwc n SER 19 Cb 0.09 0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 3fwc n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fwc n GLY 20 N 1.32 1.77 0.28 5.00 0.00 -0.88 -4.91 105.19 107.76 3fwc n GLY 20 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 3fwc n GLY 20 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3fwc h ASN 21 N 0.00 0.90 -0.20 1.61 -0.26 -1.73 -2.78 115.58 113.13 3fwc h ASN 21 Ca 0.00 -0.30 0.02 0.00 -0.56 0.00 0.00 56.30 55.46 3fwc h ASN 21 Cb 0.00 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.00 3fwc h ASN 21 CO 0.00 1.04 0.07 0.22 -1.06 0.00 0.00 177.43 177.71 3fwc h TYR 22 N 0.79 0.13 -0.86 1.19 3.20 -1.78 0.11 116.97 119.75 3fwc h TYR 22 Ca 0.12 0.01 0.05 0.00 3.14 0.00 0.00 58.73 62.05 3fwc h TYR 22 Cb 0.68 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.87 3fwc h TYR 22 CO 0.04 0.07 0.56 1.49 -1.64 0.00 0.00 178.16 178.68 3fwc h GLU 23 N 0.17 0.99 0.00 1.82 4.57 -1.84 -0.63 114.58 119.66 3fwc h GLU 23 Ca 0.08 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3fwc h GLU 23 Cb 0.05 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.41 3fwc h GLU 23 CO -0.08 0.65 -0.00 -0.07 -1.18 0.00 0.00 179.01 178.33 3fwc h LEU 24 N 1.02 -0.01 -0.47 1.64 3.38 -0.96 -1.12 115.31 118.80 3fwc h LEU 24 Ca 0.35 -0.73 0.07 0.00 0.09 0.00 0.00 57.88 57.66 3fwc h LEU 24 Cb 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 3fwc h LEU 24 CO -0.12 0.73 0.13 0.40 0.09 0.00 0.00 178.44 179.68 3fwc h ILE 25 N -0.75 0.79 -0.48 1.22 2.04 -0.80 -0.29 117.51 119.24 3fwc h ILE 25 Ca -0.00 -0.10 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3fwc h ILE 25 Cb 0.73 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 37.24 3fwc h ILE 25 CO 0.00 0.05 0.15 0.28 0.00 0.00 0.00 178.15 178.63 3fwc h SER 26 N 0.28 0.12 -0.25 1.72 0.02 -1.12 -1.40 113.55 112.92 3fwc h SER 26 Ca 0.23 0.07 -0.08 0.00 -0.84 0.00 0.00 61.79 61.16 3fwc h SER 26 Cb 0.27 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3fwc h SER 26 CO -0.27 0.10 -0.11 0.78 -1.14 0.00 0.00 176.83 176.18 3fwc h ASN 27 N 0.31 0.64 1.38 3.07 2.35 -0.43 -1.49 115.58 121.40 3fwc h ASN 27 Ca 0.24 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3fwc h ASN 27 Cb 0.27 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.47 3fwc h ASN 27 CO -0.26 0.79 0.00 -0.08 -1.65 0.00 0.00 177.43 176.22 3fwc h GLU 28 N 0.60 0.00 0.13 0.81 4.81 -0.50 -1.56 114.58 118.88 3fwc h GLU 28 Ca 0.11 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.15 3fwc h GLU 28 Cb 0.54 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.94 3fwc h GLU 28 CO 0.03 0.00 -0.84 1.25 -0.73 0.00 0.00 179.01 178.72 3fwc h LEU 29 N 0.00 0.45 -1.07 1.64 5.85 -0.72 -2.81 115.31 118.64 3fwc h LEU 29 Ca 0.00 -0.95 -0.04 0.00 0.84 0.00 0.00 57.88 57.74 3fwc h LEU 29 Cb 0.69 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 3fwc h LEU 29 CO 0.00 1.40 0.21 0.11 -0.34 0.00 0.00 178.44 179.82 3fwc h LYS 30 N -0.39 0.88 -0.04 1.25 1.57 -0.90 -0.31 116.57 118.63 3fwc h LYS 30 Ca -0.15 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3fwc h LYS 30 Cb 1.63 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 33.79 3fwc h LYS 30 CO 0.14 0.74 -0.02 0.00 -0.57 0.00 0.00 179.45 179.74 3fwc h ALA 31 N 1.37 0.06 0.24 3.86 0.00 -1.43 -2.36 119.26 121.01 3fwc h ALA 31 Ca 0.20 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fwc h ALA 31 Cb 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3fwc h ALA 31 CO -0.01 -0.22 -0.22 -0.09 0.00 0.00 0.00 179.25 178.71 3fwc h ARG 32 N -0.30 -0.47 -0.86 0.00 2.43 -1.20 -1.37 114.38 112.62 3fwc h ARG 32 Ca 0.01 0.03 0.21 0.00 -0.81 0.00 0.00 59.98 59.42 3fwc h ARG 32 Cb 0.43 0.11 -0.12 0.00 -0.42 0.00 0.00 29.97 29.97 3fwc h ARG 32 CO 0.01 -0.31 0.32 -0.07 -1.51 0.00 0.00 179.97 178.41 3fwc h LEU 33 N -0.48 0.21 -1.01 3.80 3.38 -1.12 0.45 115.31 120.54 3fwc h LEU 33 Ca -0.01 0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3fwc h LEU 33 Cb 0.44 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3fwc h LEU 33 CO -0.04 -0.03 0.11 0.25 0.09 0.00 0.00 178.44 178.82 3fwc h LEU 34 N 0.35 0.77 0.00 1.67 5.85 -0.76 -1.59 115.31 121.60 3fwc h LEU 34 Ca 0.52 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 3fwc h LEU 34 Cb 0.98 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.80 3fwc h LEU 34 CO -0.54 0.77 -0.38 1.56 -0.34 0.00 0.00 178.44 179.51 3fwc h GLN 35 N 0.79 0.00 -0.73 1.25 4.20 0.08 -3.07 115.11 117.62 3fwc h GLN 35 Ca 0.17 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.63 3fwc h GLN 35 Cb 0.32 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.95 3fwc h GLN 35 CO 0.00 0.12 0.30 -0.85 -0.67 0.00 0.00 178.83 177.73 3fwc n GLU 36 N -3.03 3.34 -0.94 1.46 0.28 -0.44 -4.95 120.64 116.35 3fwc n GLU 36 Ca 0.02 -3.08 0.00 0.00 -0.16 0.00 0.00 57.16 53.94 3fwc n GLU 36 Cb 0.60 -2.17 0.00 0.00 1.43 0.00 0.00 31.44 31.30 3fwc n GLU 36 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fwc n GLY 37 N -0.40 0.37 0.36 -1.84 0.00 -1.05 -4.89 105.19 97.74 3fwc n GLY 37 Ca 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.42 3fwc n GLY 37 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3fwc h TRP 38 N 0.00 1.19 0.49 1.61 7.01 -1.55 -0.70 115.95 124.00 3fwc h TRP 38 Ca 0.00 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.00 3fwc h TRP 38 Cb 0.31 -0.40 0.00 0.00 -2.10 0.00 0.00 29.16 26.97 3fwc h TRP 38 CO 0.20 0.74 -0.23 0.28 -2.79 0.00 0.00 178.44 176.64 3fwc h VAL 39 N 1.28 0.52 -0.42 2.65 2.07 -1.86 -0.91 116.25 119.57 3fwc h VAL 39 Ca 0.35 -0.12 0.12 0.00 0.82 0.00 0.00 66.70 67.88 3fwc h VAL 39 Cb -0.13 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3fwc h VAL 39 CO -0.08 0.02 0.31 0.44 0.02 0.00 0.00 177.57 178.28 3fwc h ASP 40 N -0.72 0.00 0.10 0.57 3.45 -1.81 0.14 116.42 118.14 3fwc h ASP 40 Ca -0.07 0.00 -0.28 0.00 0.43 0.00 0.00 57.03 57.11 3fwc h ASP 40 Cb 0.53 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.33 3fwc h ASP 40 CO 0.11 0.00 -1.15 0.11 -1.57 0.00 0.00 179.24 176.74 3fwc h LYS 41 N 0.00 0.64 -0.26 3.56 1.57 -0.76 -2.66 116.57 118.65 3fwc h LYS 41 Ca 0.20 -0.78 -0.06 0.00 -1.87 0.00 0.00 60.65 58.15 3fwc h LYS 41 Cb 0.82 0.24 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 3fwc h LYS 41 CO -0.00 1.34 -0.08 0.28 -0.57 0.00 0.00 179.45 180.42 3fwc h VAL 42 N 0.32 1.20 0.73 0.50 2.07 -0.39 -1.15 116.25 119.53 3fwc h VAL 42 Ca -0.16 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 3fwc h VAL 42 Cb 1.81 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.67 3fwc h VAL 42 CO 0.22 0.28 -0.41 0.11 0.02 0.00 0.00 177.57 177.79 3fwc h LYS 43 N 0.40 -1.02 -0.26 1.57 1.57 -0.98 -0.35 116.57 117.50 3fwc h LYS 43 Ca 0.08 0.07 0.06 0.00 -1.87 0.00 0.00 60.65 58.99 3fwc h LYS 43 Cb 0.39 0.23 -0.08 0.00 0.08 0.00 0.00 32.23 32.86 3fwc h LYS 43 CO 0.02 -0.68 -0.35 -0.44 -0.57 0.00 0.00 179.45 177.43 3fwc h ASP 44 N -1.06 -1.14 -0.63 0.86 3.45 -1.37 -0.74 116.42 115.80 3fwc h ASP 44 Ca -0.09 0.18 0.12 0.00 0.43 0.00 0.00 57.03 57.67 3fwc h ASP 44 Cb 0.84 0.50 -0.09 0.00 -0.56 0.00 0.00 39.33 40.01 3fwc h ASP 44 CO 0.12 -0.36 0.11 0.25 -1.57 0.00 0.00 179.24 177.80 3fwc h LEU 45 N -0.35 -0.05 -0.56 1.55 5.85 -1.11 0.78 115.31 121.42 3fwc h LEU 45 Ca 0.12 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.96 3fwc h LEU 45 Cb 0.56 0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 3fwc h LEU 45 CO -0.46 -0.02 0.30 0.74 -0.34 0.00 0.00 178.44 178.66 3fwc h THR 46 N 0.23 1.19 -0.67 1.05 2.02 -0.32 0.05 112.91 116.47 3fwc h THR 46 Ca 0.34 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.98 3fwc h THR 46 Cb 0.52 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 3fwc h THR 46 CO -0.45 0.21 0.31 0.11 0.37 0.00 0.00 175.52 176.08 3fwc h LYS 47 N 0.76 0.96 -0.65 6.66 1.57 0.31 0.34 116.57 126.53 3fwc h LYS 47 Ca 0.20 -0.14 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3fwc h LYS 47 Cb 0.07 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 3fwc h LYS 47 CO -0.03 0.77 0.29 0.77 -0.57 0.00 0.00 179.45 180.68 3fwc h SER 48 N 0.92 0.86 -0.22 0.86 0.02 -0.71 0.16 113.55 115.44 3fwc h SER 48 Ca 0.23 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 3fwc h SER 48 Cb 0.13 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3fwc h SER 48 CO -0.03 0.77 0.01 -0.33 -1.14 0.00 0.00 176.83 176.11 3fwc h GLU 49 N 0.90 0.50 -0.02 3.45 4.39 -0.39 -2.48 114.58 120.92 3fwc h GLU 49 Ca 0.22 -0.10 -0.19 0.00 0.34 0.00 0.00 59.36 59.63 3fwc h GLU 49 Cb 0.15 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3fwc h GLU 49 CO -0.02 0.52 -0.81 0.52 -1.16 0.00 0.00 179.01 178.06 3fwc h MET 50 N 0.49 0.26 -0.23 2.33 2.86 -0.21 -3.26 114.93 117.16 3fwc h MET 50 Ca 0.11 -0.25 -0.18 0.00 -2.06 0.00 0.00 59.70 57.32 3fwc h MET 50 Cb 0.30 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 3fwc h MET 50 CO 0.01 0.93 -0.56 -0.91 1.06 0.00 0.00 176.91 177.44 3fwc h ASN 51 N 0.16 0.79 0.04 1.22 2.35 -0.54 -3.26 115.58 116.34 3fwc h ASN 51 Ca -0.04 -0.43 -0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3fwc h ASN 51 Cb 1.40 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 39.55 3fwc h ASN 51 CO 0.13 1.19 -0.02 0.16 -1.65 0.00 0.00 177.43 177.24 3fwc h ILE 52 N 0.54 1.33 -3.78 2.81 3.07 -1.56 -3.38 117.51 116.54 3fwc h ILE 52 Ca 0.01 -1.25 -0.66 0.00 1.55 0.00 0.00 64.86 64.51 3fwc h ILE 52 Cb 1.14 2.15 -0.19 0.00 -0.27 0.00 0.00 36.82 39.65 3fwc h ILE 52 CO 0.11 0.31 -0.52 0.20 -1.05 0.00 0.00 178.15 177.21 3fwc s ASN 53 N -5.69 5.88 0.23 2.16 0.01 -1.23 -4.95 114.94 111.35 3fwc s ASN 53 Ca -0.16 -0.22 0.21 0.00 -0.71 0.00 0.00 52.86 51.98 3fwc s ASN 53 Cb 0.01 -2.09 0.05 0.00 0.41 0.00 0.00 41.25 39.63 3fwc s ASN 53 CO 0.64 -0.12 1.14 -0.08 -1.51 0.00 0.00 177.10 177.17 3fwc h GLU 54 N 8.39 0.00 -0.59 -0.60 4.81 -1.74 -3.36 114.58 121.49 3fwc h GLU 54 Ca -0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3fwc h GLU 54 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 3fwc h GLU 54 CO 0.59 0.06 0.00 -1.13 -0.73 0.00 0.00 179.01 177.80 3fwc n SER 55 N -2.82 4.24 -4.79 1.04 3.41 -1.26 -4.97 113.62 108.47 3fwc n SER 55 Ca -0.00 -2.32 -0.36 0.00 -0.26 0.00 0.00 58.87 55.92 3fwc n SER 55 Cb 0.59 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 63.99 3fwc n SER 55 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fwc s THR 56 N -1.60 3.93 0.89 6.66 2.01 -1.26 -5.03 115.64 121.24 3fwc s THR 56 Ca 0.46 1.46 -0.10 0.00 0.31 0.00 0.00 61.69 63.82 3fwc s THR 56 Cb 0.28 -3.75 0.13 0.00 0.01 0.00 0.00 72.50 69.18 3fwc s THR 56 CO 0.24 -0.01 1.14 0.20 -0.69 0.00 0.00 174.62 175.50 3fwc s ASN 57 N -1.66 3.15 0.14 3.53 0.01 -1.26 -4.86 114.94 113.99 3fwc s ASN 57 Ca 0.57 2.12 -0.18 0.00 -0.71 0.00 0.00 52.86 54.65 3fwc s ASN 57 Cb -0.19 -2.55 0.00 0.00 0.41 0.00 0.00 41.25 38.92 3fwc s ASN 57 CO 0.25 -2.95 1.75 0.15 -1.51 0.00 0.00 177.10 174.79 3fwc h PHE 58 N -1.76 0.17 -0.40 2.20 3.57 -1.99 -1.80 116.94 116.93 3fwc h PHE 58 Ca -0.43 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.11 3fwc h PHE 58 Cb 1.26 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 3fwc h PHE 58 CO 0.51 0.08 0.19 1.15 -2.23 0.00 0.00 178.31 178.01 3fwc h THR 59 N 0.22 0.97 -0.45 4.41 2.02 -1.99 0.06 112.91 118.15 3fwc h THR 59 Ca 0.12 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 3fwc h THR 59 Cb 0.09 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3fwc h THR 59 CO -0.13 0.07 -0.04 1.56 0.37 0.00 0.00 175.52 177.36 3fwc h GLN 60 N 0.40 0.83 -0.35 6.66 4.20 -1.91 -0.94 115.11 124.00 3fwc h GLN 60 Ca 0.17 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.60 3fwc h GLN 60 Cb 0.08 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3fwc h GLN 60 CO -0.12 0.90 0.22 0.82 -0.67 0.00 0.00 178.83 179.98 3fwc h ILE 61 N 0.67 1.10 -0.91 2.54 1.08 -1.02 -0.97 117.51 119.99 3fwc h ILE 61 Ca 0.12 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 64.42 3fwc h ILE 61 Cb 0.55 0.60 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 3fwc h ILE 61 CO 0.03 0.09 0.60 0.25 -0.69 0.00 0.00 178.15 178.44 3fwc h LEU 62 N 0.46 1.02 -0.81 1.44 5.85 -0.93 -1.47 115.31 120.88 3fwc h LEU 62 Ca 0.13 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 3fwc h LEU 62 Cb -0.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3fwc h LEU 62 CO -0.03 0.73 -0.07 -1.28 -0.34 0.00 0.00 178.44 177.45 3fwc h SER 63 N 1.20 0.80 0.07 1.25 0.87 -0.60 -1.64 113.55 115.51 3fwc h SER 63 Ca 0.35 -0.23 -0.19 0.00 -1.23 0.00 0.00 61.79 60.49 3fwc h SER 63 Cb -0.09 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 61.66 3fwc h SER 63 CO -0.09 0.91 -0.71 0.74 -0.53 0.00 0.00 176.83 177.15 3fwc h THR 64 N 0.75 1.33 0.21 2.23 2.02 -0.83 -3.34 112.91 115.28 3fwc h THR 64 Ca 0.13 -2.02 -0.32 0.00 0.77 0.00 0.00 66.41 64.98 3fwc h THR 64 Cb 0.55 2.00 0.03 0.00 -1.74 0.00 0.00 68.15 68.99 3fwc h THR 64 CO 0.03 0.62 -1.40 0.58 0.37 0.00 0.00 175.52 175.73 3fwc h VAL 65 N 0.40 1.34 -0.22 3.16 2.07 -1.05 -3.37 116.25 118.57 3fwc h VAL 65 Ca -0.03 -2.76 0.03 0.00 0.82 0.00 0.00 66.70 64.76 3fwc h VAL 65 Cb 1.30 2.98 -0.05 0.00 -1.52 0.00 0.00 31.29 34.00 3fwc h VAL 65 CO 0.13 0.82 -0.36 -0.33 0.02 0.00 0.00 177.57 177.86 3fwc h GLU 66 N 0.15 -0.27 -0.84 1.57 5.08 -1.42 0.22 114.58 119.06 3fwc h GLU 66 Ca -0.22 0.02 0.14 0.00 -1.00 0.00 0.00 59.36 58.30 3fwc h GLU 66 Cb 2.10 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 31.34 3fwc h GLU 66 CO 0.26 -0.18 0.55 -1.35 -1.00 0.00 0.00 179.01 177.28 3fwc h PRO 67 N -0.28 0.61 -0.28 2.33 0.11 -1.76 -0.84 132.00 131.89 3fwc h PRO 67 Ca 0.04 -0.04 -0.19 0.00 0.11 0.00 0.00 66.00 65.92 3fwc h PRO 67 Cb 0.40 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.37 3fwc h PRO 67 CO -0.36 0.40 -0.58 0.87 -0.21 0.00 0.00 178.00 178.13 3fwc h LYS 68 N 0.63 0.88 -0.45 1.05 1.57 -1.43 -2.62 116.57 116.19 3fwc h LYS 68 Ca 0.41 -0.58 -0.11 0.00 -1.87 0.00 0.00 60.65 58.51 3fwc h LYS 68 Cb 0.70 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3fwc h LYS 68 CO -0.17 1.21 -0.14 0.00 -0.57 0.00 0.00 179.45 179.78 3fwc h ALA 69 N 0.67 0.62 -0.91 3.86 0.00 0.03 -2.27 119.26 121.26 3fwc h ALA 69 Ca 0.01 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.58 3fwc h ALA 69 Cb 1.19 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3fwc h ALA 69 CO 0.13 0.54 0.60 1.25 0.00 0.00 0.00 179.25 181.77 3fwc h LEU 70 N 0.73 1.03 -1.56 0.00 5.85 -1.16 -2.01 115.31 118.19 3fwc h LEU 70 Ca 0.11 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 3fwc h LEU 70 Cb 0.69 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 3fwc h LEU 70 CO 0.05 0.74 -0.10 -0.33 -0.34 0.00 0.00 178.44 178.46 3fwc h GLU 71 N 1.22 0.00 0.00 1.25 5.08 -1.21 -2.88 114.58 118.04 3fwc h GLU 71 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3fwc h GLU 71 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3fwc h GLU 71 CO -0.08 0.10 0.00 -1.33 -1.00 0.00 0.00 179.01 176.70 3fwc n MET 72 N -3.30 0.01 -2.15 2.33 2.81 -0.76 -4.78 117.12 111.29 3fwc n MET 72 Ca -0.00 0.06 -0.42 0.00 -1.81 0.00 0.00 57.70 55.53 3fwc n MET 72 Cb 0.32 -1.51 -0.03 0.00 -0.71 0.00 0.00 33.22 31.29 3fwc n MET 72 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3fwc s VAL 73 N -3.00 3.56 0.83 2.03 1.01 -1.09 -4.98 120.40 118.76 3fwc s VAL 73 Ca 0.12 0.94 -0.10 0.00 0.00 0.00 0.00 61.98 62.94 3fwc s VAL 73 Cb 0.17 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 33.03 3fwc s VAL 73 CO 0.47 -0.01 1.11 -0.94 0.00 0.00 0.00 175.10 175.74 3fwc s SER 74 N 2.07 3.85 0.21 3.32 1.04 -1.26 -4.91 113.70 118.02 3fwc s SER 74 Ca 0.66 1.97 -0.04 0.00 0.48 0.00 0.00 55.95 59.03 3fwc s SER 74 Cb -0.33 -2.54 0.18 0.00 0.10 0.00 0.00 66.02 63.43 3fwc s SER 74 CO 0.28 -2.47 1.60 0.44 0.98 0.00 0.00 173.24 174.06 3fwc h ASP 75 N -1.43 0.72 -0.33 7.02 3.32 -1.96 -2.92 116.42 120.84 3fwc h ASP 75 Ca -0.43 -0.29 -0.07 0.00 0.02 0.00 0.00 57.03 56.25 3fwc h ASP 75 Cb 1.25 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 3fwc h ASP 75 CO 0.47 0.99 -0.03 0.77 -1.72 0.00 0.00 179.24 179.72 3fwc h SER 76 N 0.58 0.68 -0.46 6.45 4.64 -2.00 -2.02 113.55 121.43 3fwc h SER 76 Ca 0.06 -0.16 -0.11 0.00 -0.47 0.00 0.00 61.79 61.11 3fwc h SER 76 Cb 0.84 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 3fwc h SER 76 CO 0.07 0.77 -0.13 0.74 -0.87 0.00 0.00 176.83 177.41 3fwc h THR 77 N 0.66 1.27 -0.59 2.95 2.02 -1.91 -2.27 112.91 115.04 3fwc h THR 77 Ca 0.13 -1.26 -0.07 0.00 0.77 0.00 0.00 66.41 65.98 3fwc h THR 77 Cb 0.45 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3fwc h THR 77 CO 0.02 0.44 0.10 0.03 0.37 0.00 0.00 175.52 176.48 3fwc h ARG 78 N 0.83 0.98 -0.42 6.66 3.08 -1.31 -2.70 114.38 121.50 3fwc h ARG 78 Ca 0.13 -0.26 -0.00 0.00 0.07 0.00 0.00 59.98 59.91 3fwc h ARG 78 Cb 0.67 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.58 3fwc h ARG 78 CO 0.05 0.93 0.25 1.49 -1.07 0.00 0.00 179.97 181.61 3fwc h GLU 79 N 0.88 0.57 0.58 0.04 4.22 -1.06 -1.32 114.58 118.50 3fwc h GLU 79 Ca 0.18 -0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.55 3fwc h GLU 79 Cb 0.42 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.55 3fwc h GLU 79 CO 0.01 0.41 -0.28 1.15 -2.18 0.00 0.00 179.01 178.12 3fwc h THR 80 N 0.58 0.42 0.05 0.32 2.02 -1.09 -0.06 112.91 115.16 3fwc h THR 80 Ca 0.15 -0.05 0.03 0.00 0.77 0.00 0.00 66.41 67.31 3fwc h THR 80 Cb -0.01 0.44 -0.05 0.00 -1.74 0.00 0.00 68.15 66.79 3fwc h THR 80 CO -0.03 0.01 -0.37 0.58 0.37 0.00 0.00 175.52 176.08 3fwc h VAL 81 N -0.81 0.23 -0.52 3.16 2.07 -1.37 -2.60 116.25 116.42 3fwc h VAL 81 Ca -0.08 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.54 3fwc h VAL 81 Cb 0.61 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3fwc h VAL 81 CO 0.13 0.00 0.35 0.25 0.02 0.00 0.00 177.57 178.32 3fwc h LEU 82 N -0.55 0.24 -0.47 2.57 5.85 -1.08 -0.66 115.31 121.20 3fwc h LEU 82 Ca 0.04 0.01 -0.16 0.00 0.84 0.00 0.00 57.88 58.60 3fwc h LEU 82 Cb 0.62 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3fwc h LEU 82 CO -0.26 0.14 -0.76 0.50 -0.34 0.00 0.00 178.44 177.72 3fwc h LYS 83 N 0.26 0.06 -0.01 1.25 3.64 -0.69 -1.94 116.57 119.14 3fwc h LYS 83 Ca 0.24 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.31 3fwc h LYS 83 Cb 0.60 0.01 0.01 0.00 -0.41 0.00 0.00 32.23 32.45 3fwc h LYS 83 CO -0.05 0.79 -1.00 1.96 -2.27 0.00 0.00 179.45 178.88 3fwc h GLN 84 N 0.04 0.61 -0.54 1.90 4.20 -0.79 -2.09 115.11 118.44 3fwc h GLN 84 Ca -0.01 -0.65 -0.02 0.00 0.06 0.00 0.00 58.65 58.02 3fwc h GLN 84 Cb 1.35 0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.28 3fwc h GLN 84 CO 0.10 1.25 0.25 0.82 -0.67 0.00 0.00 178.83 180.59 3fwc h ILE 85 N 0.35 1.21 -0.60 2.54 1.08 -1.24 -1.34 117.51 119.50 3fwc h ILE 85 Ca -0.11 -0.60 -0.09 0.00 -0.39 0.00 0.00 64.86 63.67 3fwc h ILE 85 Cb 1.65 0.60 -0.02 0.00 -3.07 0.00 0.00 36.82 35.97 3fwc h ILE 85 CO 0.19 0.24 0.03 -0.09 -0.69 0.00 0.00 178.15 177.83 3fwc h ARG 86 N 0.73 1.02 0.00 2.37 9.65 -1.39 -2.07 114.38 124.69 3fwc h ARG 86 Ca 0.19 -0.30 -0.03 0.00 -1.10 0.00 0.00 59.98 58.74 3fwc h ARG 86 Cb 0.14 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 28.61 3fwc h ARG 86 CO -0.02 0.98 -0.15 0.93 2.80 0.00 0.00 179.97 184.50 3fwc h GLU 87 N 0.94 0.00 0.02 0.20 5.08 -0.99 -1.84 114.58 117.99 3fwc h GLU 87 Ca 0.18 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.33 3fwc h GLU 87 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3fwc h GLU 87 CO 0.02 0.15 -0.95 0.35 -1.00 0.00 0.00 179.01 177.59 3fwc h PHE 88 N 0.00 0.22 -0.45 4.33 3.57 -0.58 -2.95 116.94 121.09 3fwc h PHE 88 Ca -0.00 -0.14 -0.08 0.00 3.53 0.00 0.00 57.97 61.28 3fwc h PHE 88 Cb 0.37 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3fwc h PHE 88 CO 0.00 1.00 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.96 3fwc h LEU 89 N 0.07 0.74 0.02 0.59 4.07 -0.91 -2.82 115.31 117.07 3fwc h LEU 89 Ca -0.05 -0.19 0.03 0.00 0.08 0.00 0.00 57.88 57.75 3fwc h LEU 89 Cb 1.62 -0.20 -0.05 0.00 1.08 0.00 0.00 40.66 43.11 3fwc h LEU 89 CO 0.14 0.84 -0.31 -0.33 -1.08 0.00 0.00 178.44 177.69 3fwc h GLU 90 N 0.70 -0.46 -0.02 1.13 4.39 -1.23 -0.10 114.58 118.99 3fwc h GLU 90 Ca 0.13 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.87 3fwc h GLU 90 Cb 0.51 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 3fwc h GLU 90 CO 0.03 -0.31 0.08 0.93 -1.16 0.00 0.00 179.01 178.58 3fwc h GLU 91 N -0.48 0.00 -0.31 2.33 5.08 -1.38 0.58 114.58 120.40 3fwc h GLU 91 Ca 0.06 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3fwc h GLU 91 Cb 0.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 3fwc h GLU 91 CO -0.25 0.00 0.11 0.97 -1.00 0.00 0.00 179.01 178.84 3fwc h ILE 92 N 0.00 1.20 0.00 3.13 6.09 -0.76 -3.35 117.51 123.82 3fwc h ILE 92 Ca 0.01 -0.62 -0.18 0.00 -1.37 0.00 0.00 64.86 62.70 3fwc h ILE 92 Cb 0.16 1.02 -0.03 0.00 0.47 0.00 0.00 36.82 38.44 3fwc h ILE 92 CO -0.00 0.21 -1.68 0.55 -3.07 0.00 0.00 178.15 174.16 3fwc n VAL 93 N -4.70 0.69 -3.73 2.19 3.14 -1.10 -4.93 118.33 109.89 3fwc n VAL 93 Ca -0.02 -0.33 -0.28 0.00 -2.96 0.00 0.00 64.34 60.75 3fwc n VAL 93 Cb 0.16 -0.86 -0.12 0.00 -1.06 0.00 0.00 33.84 31.96 3fwc n VAL 93 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3fwc s ASP 94 N -4.77 3.66 0.00 6.55 -1.08 0.20 -5.13 116.67 116.09 3fwc s ASP 94 Ca -0.12 -3.45 0.31 0.00 -0.52 0.00 0.00 52.55 48.78 3fwc s ASP 94 Cb 0.04 -1.21 1.79 0.00 -1.46 0.00 0.00 42.92 42.08 3fwc s ASP 94 CO 0.33 -0.14 2.17 0.41 0.52 0.00 0.00 175.17 178.46