#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc h GLN 7 N 0.00 -0.38 0.00 0.00 3.07 -2.06 -2.01 115.11 113.73 3fwc h GLN 7 Ca 0.00 0.03 -0.10 0.00 0.09 0.00 0.00 58.65 58.66 3fwc h GLN 7 Cb 0.00 0.09 -0.01 0.00 0.08 0.00 0.00 27.48 27.63 3fwc h GLN 7 CO 0.00 -0.25 -0.50 1.25 0.09 0.00 0.00 178.83 179.42 3fwc h LEU 8 N -0.39 0.00 -0.89 0.06 5.85 -2.05 -2.20 115.31 115.68 3fwc h LEU 8 Ca 0.11 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3fwc h LEU 8 Cb 0.59 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3fwc h LEU 8 CO -0.49 0.50 0.58 0.11 -0.34 0.00 0.00 178.44 178.81 3fwc h LYS 9 N 0.00 1.13 -0.28 1.25 1.57 -1.86 -2.11 116.57 116.26 3fwc h LYS 9 Ca -0.00 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3fwc h LYS 9 Cb 0.96 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 3fwc h LYS 9 CO 0.06 0.75 -0.11 0.77 -0.57 0.00 0.00 179.45 180.35 3fwc h SER 10 N 1.16 0.45 0.50 0.86 0.02 -0.74 0.26 113.55 116.06 3fwc h SER 10 Ca 0.34 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 3fwc h SER 10 Cb -0.06 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3fwc h SER 10 CO -0.10 0.60 -0.24 -0.61 -1.14 0.00 0.00 176.83 175.34 3fwc h GLN 11 N 0.43 -0.65 0.00 3.45 4.15 -1.22 -3.01 115.11 118.27 3fwc h GLN 11 Ca 0.08 0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.50 3fwc h GLN 11 Cb 0.46 0.15 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 3fwc h GLN 11 CO 0.03 -0.43 -0.21 0.82 -1.93 0.00 0.00 178.83 177.10 3fwc h ILE 12 N -1.07 0.65 -0.05 2.39 2.04 -1.43 0.28 117.51 120.32 3fwc h ILE 12 Ca -0.07 -0.95 -0.10 0.00 1.00 0.00 0.00 64.86 64.74 3fwc h ILE 12 Cb 0.52 1.61 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3fwc h ILE 12 CO 0.11 0.21 -0.42 -0.61 0.00 0.00 0.00 178.15 177.44 3fwc h GLN 13 N 0.00 0.10 0.00 2.37 -0.00 -1.03 0.63 115.11 117.18 3fwc h GLN 13 Ca -0.00 -0.05 -0.02 0.00 -0.00 0.00 0.00 58.65 58.58 3fwc h GLN 13 Cb 0.59 -0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.07 3fwc h GLN 13 CO 0.03 0.51 -1.72 1.04 0.00 0.00 0.00 178.83 178.68 3fwc n GLN 14 N -4.03 0.64 0.14 1.69 6.02 -0.81 -3.71 117.38 117.33 3fwc n GLN 14 Ca -0.02 -0.09 -0.01 0.00 -0.01 0.00 0.00 57.00 56.87 3fwc n GLN 14 Cb 0.46 -1.61 0.20 0.00 1.02 0.00 0.00 30.24 30.31 3fwc n GLN 14 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3fwc h TYR 15 N 0.00 0.04 -0.50 1.08 3.20 -0.34 0.15 116.97 120.60 3fwc h TYR 15 Ca -0.03 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 3fwc h TYR 15 Cb 1.07 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.30 3fwc h TYR 15 CO 0.00 0.59 0.29 1.25 -1.64 0.00 0.00 178.16 178.65 3fwc h LEU 16 N 0.03 0.60 0.01 2.82 5.85 -0.95 -0.93 115.31 122.73 3fwc h LEU 16 Ca -0.00 -0.03 -0.29 0.00 0.84 0.00 0.00 57.88 58.40 3fwc h LEU 16 Cb 1.01 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.84 3fwc h LEU 16 CO 0.08 0.47 -1.64 0.58 -0.34 0.00 0.00 178.44 177.59 3fwc h VAL 17 N 0.69 0.94 0.00 1.05 2.07 -1.56 -0.13 116.25 119.30 3fwc h VAL 17 Ca 0.18 -2.77 -0.02 0.00 0.82 0.00 0.00 66.70 64.91 3fwc h VAL 17 Cb -0.01 2.47 -0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3fwc h VAL 17 CO -0.03 0.56 -0.10 -0.33 0.02 0.00 0.00 177.57 177.68 3fwc h GLU 18 N 0.00 0.00 -0.04 1.57 5.08 -0.59 -1.52 114.58 119.09 3fwc h GLU 18 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3fwc h GLU 18 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 3fwc h GLU 18 CO 0.09 0.10 0.00 0.45 -1.00 0.00 0.00 179.01 178.65 3fwc n SER 19 N -3.28 2.73 0.00 1.42 2.88 -0.39 -4.92 113.62 112.06 3fwc n SER 19 Ca -0.00 -1.91 0.00 0.00 -1.33 0.00 0.00 58.87 55.63 3fwc n SER 19 Cb 0.34 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 3fwc n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3fwc n GLY 20 N 1.32 0.13 0.31 0.46 0.00 -0.57 -4.78 105.19 102.07 3fwc n GLY 20 Ca 0.15 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 3fwc n GLY 20 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3fwc h ASN 21 N 0.00 0.03 0.48 1.61 -1.24 -1.51 -0.76 115.58 114.18 3fwc h ASN 21 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 3fwc h ASN 21 Cb 0.25 -0.01 -0.00 0.00 0.73 0.00 0.00 38.32 39.29 3fwc h ASN 21 CO 0.00 0.02 -0.29 0.22 -1.29 0.00 0.00 177.43 176.10 3fwc h TYR 22 N 0.04 -0.75 -0.55 0.67 3.20 -1.37 -1.89 116.97 116.32 3fwc h TYR 22 Ca 0.12 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.08 3fwc h TYR 22 Cb 0.42 0.26 -0.08 0.00 1.54 0.00 0.00 36.73 38.88 3fwc h TYR 22 CO -0.00 -0.44 0.11 1.49 -1.64 0.00 0.00 178.16 177.68 3fwc h GLU 23 N -0.72 0.24 0.00 1.82 4.57 -1.47 0.23 114.58 119.24 3fwc h GLU 23 Ca -0.06 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3fwc h GLU 23 Cb 0.59 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3fwc h GLU 23 CO 0.06 0.16 0.00 -0.07 -1.18 0.00 0.00 179.01 177.98 3fwc h LEU 24 N 0.25 0.00 0.00 1.64 3.38 -0.86 -0.41 115.31 119.30 3fwc h LEU 24 Ca 0.28 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.89 3fwc h LEU 24 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3fwc h LEU 24 CO -0.37 0.00 -2.22 -0.38 0.09 0.00 0.00 178.44 175.56 3fwc n ILE 25 N -2.68 1.20 -0.18 1.22 2.08 -0.67 -3.78 119.36 116.56 3fwc n ILE 25 Ca -0.01 -0.34 0.25 0.00 0.56 0.00 0.00 62.75 63.21 3fwc n ILE 25 Cb 0.10 -1.69 0.66 0.00 -0.75 0.00 0.00 39.64 37.97 3fwc n ILE 25 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 3fwc h SER 26 N -0.63 0.12 0.65 4.38 0.87 -0.42 0.17 113.55 118.68 3fwc h SER 26 Ca -0.54 0.01 -0.27 0.00 -1.23 0.00 0.00 61.79 59.76 3fwc h SER 26 Cb 1.53 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 63.49 3fwc h SER 26 CO -0.29 0.04 -1.25 -0.55 -0.53 0.00 0.00 176.83 174.26 3fwc h ASN 27 N 0.12 0.38 0.61 6.23 7.08 -1.28 -2.79 115.58 125.93 3fwc h ASN 27 Ca 0.42 -0.42 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 3fwc h ASN 27 Cb 1.48 -0.12 0.00 0.00 -2.08 0.00 0.00 38.32 37.60 3fwc h ASN 27 CO -0.06 1.33 0.00 -0.62 -2.08 0.00 0.00 177.43 176.00 3fwc n GLU 28 N -3.50 0.34 0.07 4.14 1.02 0.20 -0.77 120.64 122.13 3fwc n GLU 28 Ca -0.08 0.02 -0.20 0.00 -0.02 0.00 0.00 57.16 56.87 3fwc n GLU 28 Cb 1.02 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.79 3fwc n GLU 28 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3fwc h LEU 29 N 0.00 0.52 0.48 -4.62 5.85 -0.72 -3.00 115.31 113.83 3fwc h LEU 29 Ca 0.00 -0.77 -0.02 0.00 0.84 0.00 0.00 57.88 57.92 3fwc h LEU 29 Cb 0.30 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3fwc h LEU 29 CO 0.00 1.65 -0.23 0.11 -0.34 0.00 0.00 178.44 179.63 3fwc h LYS 30 N 0.09 -0.63 -0.84 1.25 1.57 -1.10 -2.44 116.57 114.48 3fwc h LYS 30 Ca -0.31 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.61 3fwc h LYS 30 Cb 2.07 0.14 -0.07 0.00 0.08 0.00 0.00 32.23 34.45 3fwc h LYS 30 CO 0.17 -0.42 0.48 0.00 -0.57 0.00 0.00 179.45 179.11 3fwc h ALA 31 N -1.68 1.20 -0.29 3.86 0.00 -1.11 0.71 119.26 121.94 3fwc h ALA 31 Ca -0.07 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3fwc h ALA 31 Cb 0.50 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3fwc h ALA 31 CO 0.11 0.10 -0.22 0.00 0.00 0.00 0.00 179.25 179.24 3fwc h ARG 32 N 0.80 0.67 0.00 0.00 3.08 -1.63 -0.29 114.38 117.00 3fwc h ARG 32 Ca 0.41 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.13 3fwc h ARG 32 Cb 0.38 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3fwc h ARG 32 CO -0.25 0.93 0.00 1.28 -1.07 0.00 0.00 179.97 180.85 3fwc n LEU 33 N -4.33 0.31 0.03 3.04 4.77 -0.16 -2.39 117.00 118.28 3fwc n LEU 33 Ca -0.04 0.59 -0.19 0.00 -0.03 0.00 0.00 56.01 56.34 3fwc n LEU 33 Cb 0.43 -0.56 -0.14 0.00 -2.33 0.00 0.00 43.42 40.82 3fwc n LEU 33 CO 0.43 -0.46 -0.62 0.25 -1.33 0.00 0.00 177.39 175.66 3fwc h LEU 34 N 0.00 0.40 -0.03 2.23 5.85 0.13 0.69 115.31 124.58 3fwc h LEU 34 Ca 0.00 -0.74 0.02 0.00 0.84 0.00 0.00 57.88 58.00 3fwc h LEU 34 Cb 0.25 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3fwc h LEU 34 CO 0.00 1.65 -0.08 -0.61 -0.34 0.00 0.00 178.44 179.06 3fwc h GLN 35 N 0.07 -0.13 -0.63 1.25 4.15 -0.77 0.15 115.11 119.20 3fwc h GLN 35 Ca -0.35 0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.18 3fwc h GLN 35 Cb 2.04 0.03 -0.08 0.00 0.21 0.00 0.00 27.48 29.68 3fwc h GLN 35 CO 0.12 -0.08 0.22 1.49 -1.93 0.00 0.00 178.83 178.64 3fwc h GLU 36 N -0.13 0.37 -0.12 1.69 4.22 -1.58 -3.45 114.58 115.57 3fwc h GLU 36 Ca 0.04 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.43 3fwc h GLU 36 Cb 0.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3fwc h GLU 36 CO -0.11 0.24 -0.03 0.41 -2.18 0.00 0.00 179.01 177.34 3fwc n GLY 37 N -1.31 0.42 0.25 1.92 0.00 0.51 -4.94 105.19 102.05 3fwc n GLY 37 Ca 0.10 -0.95 -0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.35 -0.86 1.61 7.01 0.07 -0.97 115.95 122.46 3fwc h TRP 38 Ca -0.03 0.06 0.24 0.00 2.11 0.00 0.00 58.89 61.27 3fwc h TRP 38 Cb 0.46 0.26 -0.16 0.00 -2.10 0.00 0.00 29.16 27.61 3fwc h TRP 38 CO 0.04 -0.28 0.02 1.33 -2.79 0.00 0.00 178.44 176.75 3fwc n VAL 39 N -5.45 -0.36 -0.11 2.65 0.24 -1.14 0.16 118.33 114.33 3fwc n VAL 39 Ca 0.08 1.90 -0.13 0.00 -2.04 0.00 0.00 64.34 64.15 3fwc n VAL 39 Cb 0.34 -2.78 -0.03 0.00 -1.47 0.00 0.00 33.84 29.90 3fwc n VAL 39 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3fwc h ASP 40 N 0.00 0.87 -0.72 -1.34 5.19 -1.50 0.54 116.42 119.47 3fwc h ASP 40 Ca 0.52 -0.47 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 3fwc h ASP 40 Cb 1.08 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 40.31 3fwc h ASP 40 CO -0.81 1.16 0.31 0.11 -3.12 0.00 0.00 179.24 176.88 3fwc h LYS 41 N 0.60 1.08 0.15 3.56 1.57 -0.16 0.40 116.57 123.77 3fwc h LYS 41 Ca 0.05 -0.18 -0.25 0.00 -1.87 0.00 0.00 60.65 58.41 3fwc h LYS 41 Cb 0.91 -0.18 0.03 0.00 0.08 0.00 0.00 32.23 33.07 3fwc h LYS 41 CO 0.08 0.86 -1.06 0.28 -0.57 0.00 0.00 179.45 179.05 3fwc h VAL 42 N 1.06 1.39 -0.73 0.50 2.07 -0.57 0.19 116.25 120.15 3fwc h VAL 42 Ca 0.25 -2.50 -0.02 0.00 0.82 0.00 0.00 66.70 65.25 3fwc h VAL 42 Cb 0.18 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 3fwc h VAL 42 CO -0.02 0.73 0.37 0.50 0.02 0.00 0.00 177.57 179.17 3fwc h LYS 43 N -0.05 1.04 -0.51 1.57 3.64 0.21 0.60 116.57 123.06 3fwc h LYS 43 Ca -0.17 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 58.99 3fwc h LYS 43 Cb 1.80 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 33.40 3fwc h LYS 43 CO 0.20 0.80 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.73 3fwc h ASP 44 N 1.02 0.83 -0.32 4.20 5.19 -0.15 0.28 116.42 127.49 3fwc h ASP 44 Ca 0.25 -0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.43 3fwc h ASP 44 Cb 0.08 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 3fwc h ASP 44 CO -0.04 0.90 0.14 -0.07 -3.12 0.00 0.00 179.24 177.05 3fwc h LEU 45 N 0.80 0.43 -0.03 1.55 4.07 0.29 -1.07 115.31 121.36 3fwc h LEU 45 Ca 0.15 -0.15 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 3fwc h LEU 45 Cb 0.49 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.12 3fwc h LEU 45 CO 0.02 0.46 -0.08 0.74 -1.08 0.00 0.00 178.44 178.51 3fwc h THR 46 N 0.37 1.47 -0.18 0.22 2.02 0.64 -0.73 112.91 116.72 3fwc h THR 46 Ca 0.11 -1.50 0.05 0.00 0.77 0.00 0.00 66.41 65.84 3fwc h THR 46 Cb 0.16 2.40 -0.06 0.00 -1.74 0.00 0.00 68.15 68.92 3fwc h THR 46 CO -0.01 0.40 -0.20 0.11 0.37 0.00 0.00 175.52 176.19 3fwc h LYS 47 N -0.47 -0.22 0.05 6.66 1.57 -0.53 0.48 116.57 124.11 3fwc h LYS 47 Ca -0.00 0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3fwc h LYS 47 Cb 0.70 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.01 3fwc h LYS 47 CO 0.02 -0.15 -0.33 1.03 -0.57 0.00 0.00 179.45 179.45 3fwc h SER 48 N -0.23 -0.98 -0.58 0.86 0.87 -1.10 -1.61 113.55 110.78 3fwc h SER 48 Ca 0.12 0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.86 3fwc h SER 48 Cb 0.40 0.38 -0.06 0.00 -0.44 0.00 0.00 62.40 62.69 3fwc h SER 48 CO -0.31 -0.40 0.27 -0.08 -0.53 0.00 0.00 176.83 175.78 3fwc h GLU 49 N -0.52 0.50 -0.01 2.24 4.57 -0.95 -1.43 114.58 118.98 3fwc h GLU 49 Ca 0.05 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3fwc h GLU 49 Cb 0.58 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 29.06 3fwc h GLU 49 CO -0.24 0.33 0.01 0.52 -1.18 0.00 0.00 179.01 178.45 3fwc h MET 50 N 0.51 0.00 -0.41 1.92 2.86 -0.01 -1.93 114.93 117.87 3fwc h MET 50 Ca 0.27 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.81 3fwc h MET 50 Cb 0.24 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 3fwc h MET 50 CO -0.22 0.00 -0.17 -0.91 1.06 0.00 0.00 176.91 176.67 3fwc h ASN 51 N 0.00 0.78 0.44 1.22 2.35 -0.36 -2.09 115.58 117.92 3fwc h ASN 51 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 3fwc h ASN 51 Cb 0.02 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.18 3fwc h ASN 51 CO -0.00 0.94 0.00 0.00 -1.65 0.00 0.00 177.43 176.72 3fwc n ILE 52 N -4.14 0.99 -2.72 2.81 3.06 -0.73 -4.87 119.36 113.77 3fwc n ILE 52 Ca 0.01 0.25 -0.23 0.00 -2.50 0.00 0.00 62.75 60.28 3fwc n ILE 52 Cb 0.40 -1.01 0.10 0.00 0.54 0.00 0.00 39.64 39.67 3fwc n ILE 52 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 3fwc s ASN 53 N -2.93 4.48 0.06 9.51 2.47 -0.79 -5.12 114.94 122.62 3fwc s ASN 53 Ca 0.08 -0.55 0.00 0.00 0.42 0.00 0.00 52.86 52.81 3fwc s ASN 53 Cb 0.09 0.16 -0.00 0.00 -1.45 0.00 0.00 41.25 40.05 3fwc s ASN 53 CO 0.24 -1.77 0.00 -0.62 -3.72 0.00 0.00 177.10 171.23 3fwc n GLU 54 N -2.70 1.63 -2.01 0.43 -0.58 -1.26 -5.05 120.64 111.10 3fwc n GLU 54 Ca 0.16 -0.43 -0.42 0.00 -0.42 0.00 0.00 57.16 56.04 3fwc n GLU 54 Cb 0.61 0.14 0.00 0.00 -0.57 0.00 0.00 31.44 31.62 3fwc n GLU 54 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3fwc n SER 55 N -1.26 4.28 -4.14 1.62 2.88 -1.26 -4.85 113.62 110.89 3fwc n SER 55 Ca -0.02 -2.90 -0.14 0.00 -1.33 0.00 0.00 58.87 54.48 3fwc n SER 55 Cb 0.08 -1.65 -0.11 0.00 -0.75 0.00 0.00 64.21 61.78 3fwc n SER 55 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3fwc s THR 56 N 2.91 0.80 -0.11 2.46 -1.32 -1.26 -5.12 115.64 114.00 3fwc s THR 56 Ca 0.47 -1.47 -0.28 0.00 -1.21 0.00 0.00 61.69 59.20 3fwc s THR 56 Cb 0.11 -1.14 -0.25 0.00 -1.51 0.00 0.00 72.50 69.72 3fwc s THR 56 CO -0.04 -0.51 0.88 0.78 -2.21 0.00 0.00 174.62 173.52 3fwc h ASN 57 N 3.86 -0.00 0.00 8.08 4.21 -2.02 -3.46 115.58 126.25 3fwc h ASN 57 Ca -0.37 -0.89 0.00 0.00 1.21 0.00 0.00 56.30 56.25 3fwc h ASN 57 Cb 1.19 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.39 3fwc h ASN 57 CO 0.49 0.89 0.00 0.33 -1.29 0.00 0.00 177.43 177.85 3fwc n PHE 58 N -4.66 -0.80 -0.15 1.19 7.35 -1.26 -5.00 117.46 114.12 3fwc n PHE 58 Ca -0.10 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.51 3fwc n PHE 58 Cb 0.43 0.37 0.07 0.00 0.35 0.00 0.00 39.48 40.69 3fwc n PHE 58 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3fwc h THR 59 N 0.00 1.26 -0.30 -2.13 2.02 -1.99 -2.38 112.91 109.40 3fwc h THR 59 Ca 0.00 -1.21 -0.15 0.00 0.77 0.00 0.00 66.41 65.83 3fwc h THR 59 Cb 0.00 0.97 -0.00 0.00 -1.74 0.00 0.00 68.15 67.37 3fwc h THR 59 CO 0.00 0.42 -0.39 1.56 0.37 0.00 0.00 175.52 177.48 3fwc h GLN 60 N 0.83 0.79 0.00 6.66 4.20 -1.95 -2.70 115.11 122.94 3fwc h GLN 60 Ca 0.14 -0.45 -0.10 0.00 0.06 0.00 0.00 58.65 58.29 3fwc h GLN 60 Cb 0.62 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3fwc h GLN 60 CO 0.04 1.08 -0.49 0.82 -0.67 0.00 0.00 178.83 179.61 3fwc h ILE 61 N 0.55 1.26 -0.92 2.54 2.04 -1.88 -1.76 117.51 119.34 3fwc h ILE 61 Ca 0.03 -1.73 0.16 0.00 1.00 0.00 0.00 64.86 64.33 3fwc h ILE 61 Cb 0.98 1.95 -0.08 0.00 -0.74 0.00 0.00 36.82 38.94 3fwc h ILE 61 CO 0.09 0.48 0.59 0.25 0.00 0.00 0.00 178.15 179.56 3fwc h LEU 62 N 0.00 0.65 -0.43 1.44 5.85 -1.12 0.16 115.31 121.87 3fwc h LEU 62 Ca -0.00 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3fwc h LEU 62 Cb 0.92 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3fwc h LEU 62 CO 0.06 0.31 0.23 0.77 -0.34 0.00 0.00 178.44 179.47 3fwc h SER 63 N 0.68 0.34 1.07 1.25 4.64 -1.02 -1.53 113.55 118.97 3fwc h SER 63 Ca 0.47 0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.74 3fwc h SER 63 Cb 0.80 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.84 3fwc h SER 63 CO -0.23 0.24 -0.32 0.74 -0.87 0.00 0.00 176.83 176.39 3fwc h THR 64 N 0.45 0.69 0.12 2.95 2.02 -1.01 -3.29 112.91 114.84 3fwc h THR 64 Ca 0.18 -1.46 -0.30 0.00 0.77 0.00 0.00 66.41 65.60 3fwc h THR 64 Cb 0.07 1.96 -0.00 0.00 -1.74 0.00 0.00 68.15 68.44 3fwc h THR 64 CO -0.12 0.31 -1.44 0.58 0.37 0.00 0.00 175.52 175.22 3fwc h VAL 65 N 0.00 1.26 -0.57 3.16 2.07 -0.18 -3.41 116.25 118.58 3fwc h VAL 65 Ca -0.00 -2.88 -0.06 0.00 0.82 0.00 0.00 66.70 64.58 3fwc h VAL 65 Cb 0.94 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.49 3fwc h VAL 65 CO 0.04 0.84 0.12 -0.08 0.02 0.00 0.00 177.57 178.50 3fwc h GLU 66 N 0.07 0.89 -0.03 1.57 4.81 -1.37 -3.16 114.58 117.36 3fwc h GLU 66 Ca -0.21 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 58.71 3fwc h GLU 66 Cb 2.00 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.24 3fwc h GLU 66 CO 0.17 0.81 -0.53 -1.00 -0.73 0.00 0.00 179.01 177.73 3fwc h PRO 67 N 0.85 0.07 0.11 0.92 0.14 -1.79 -1.02 132.00 131.28 3fwc h PRO 67 Ca 0.18 -0.04 -0.30 0.00 0.14 0.00 0.00 66.00 65.98 3fwc h PRO 67 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 31.48 3fwc h PRO 67 CO 0.00 0.59 -1.49 0.87 0.14 0.00 0.00 178.00 178.11 3fwc h LYS 68 N 0.05 0.23 -0.31 0.86 1.57 -1.84 -3.04 116.57 114.09 3fwc h LYS 68 Ca -0.00 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.34 3fwc h LYS 68 Cb 0.96 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.41 3fwc h LYS 68 CO 0.07 1.09 0.00 0.00 -0.57 0.00 0.00 179.45 180.05 3fwc h ALA 69 N 0.55 0.42 -0.72 3.86 0.00 -1.53 -3.21 119.26 118.63 3fwc h ALA 69 Ca -0.22 -0.23 0.21 0.00 0.00 0.00 0.00 54.91 54.66 3fwc h ALA 69 Cb 2.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.64 3fwc h ALA 69 CO 0.16 0.17 0.61 1.25 0.00 0.00 0.00 179.25 181.44 3fwc h LEU 70 N 0.35 0.00 -1.00 0.00 5.85 -1.07 -3.28 115.31 116.17 3fwc h LEU 70 Ca 0.09 0.00 0.38 0.00 0.84 0.00 0.00 57.88 59.19 3fwc h LEU 70 Cb 0.44 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 41.30 3fwc h LEU 70 CO 0.02 0.00 0.53 -0.33 -0.34 0.00 0.00 178.44 178.32 3fwc h GLU 71 N 0.00 0.12 -4.05 1.25 4.39 -1.55 -3.43 114.58 111.32 3fwc h GLU 71 Ca 0.34 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.89 3fwc h GLU 71 Cb 1.56 -0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 30.07 3fwc h GLU 71 CO -0.00 0.08 -0.32 1.41 -1.16 0.00 0.00 179.01 179.02 3fwc s MET 72 N -5.59 1.45 0.26 2.33 1.75 -1.24 -5.16 119.30 113.10 3fwc s MET 72 Ca -0.10 -1.44 -0.10 0.00 -1.25 0.00 0.00 55.69 52.81 3fwc s MET 72 Cb 0.32 0.39 -0.00 0.00 2.84 0.00 0.00 34.83 38.38 3fwc s MET 72 CO 0.78 -0.56 0.45 0.14 -0.65 0.00 0.00 175.02 175.19 3fwc s VAL 73 N -4.00 0.00 -0.32 10.11 -7.23 -1.26 -5.09 120.40 112.61 3fwc s VAL 73 Ca 0.30 -1.49 -0.29 0.00 -1.81 0.00 0.00 61.98 58.69 3fwc s VAL 73 Cb 0.02 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.64 3fwc s VAL 73 CO 0.11 0.00 1.21 -0.55 -0.31 0.00 0.00 175.10 175.56 3fwc s SER 74 N -3.07 6.76 0.00 4.85 0.15 -1.26 -4.90 113.70 116.23 3fwc s SER 74 Ca 0.25 1.09 0.18 0.00 0.70 0.00 0.00 55.95 58.18 3fwc s SER 74 Cb -0.00 -2.54 0.52 0.00 -1.71 0.00 0.00 66.02 62.29 3fwc s SER 74 CO 0.11 -1.03 1.42 0.47 1.20 0.00 0.00 173.24 175.42 3fwc n ASP 75 N 7.38 2.47 -0.01 5.45 9.92 -1.26 -4.08 116.55 136.43 3fwc n ASP 75 Ca 0.14 -1.91 -0.10 0.00 -0.53 0.00 0.00 54.79 52.38 3fwc n ASP 75 Cb 0.47 -0.25 -0.04 0.00 -0.64 0.00 0.00 41.12 40.66 3fwc n ASP 75 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3fwc h SER 76 N 2.94 -0.98 0.00 -2.24 4.64 -2.00 -3.33 113.55 112.58 3fwc h SER 76 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 3fwc h SER 76 Cb 0.66 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3fwc h SER 76 CO 0.00 -0.35 -0.19 0.35 -0.87 0.00 0.00 176.83 175.77 3fwc n THR 77 N -5.41 0.36 -0.14 2.95 -2.24 -1.26 -4.72 114.28 103.82 3fwc n THR 77 Ca -0.03 -0.41 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 3fwc n THR 77 Cb 0.32 0.59 0.05 0.00 -2.10 0.00 0.00 70.33 69.20 3fwc n THR 77 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3fwc h ARG 78 N 0.00 0.92 0.00 -0.78 -0.00 -1.71 -1.32 114.38 111.49 3fwc h ARG 78 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 59.98 59.63 3fwc h ARG 78 Cb 1.09 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.01 3fwc h ARG 78 CO 0.00 1.00 0.00 0.93 -0.00 0.00 0.00 179.97 181.90 3fwc h GLU 79 N 0.81 0.00 0.10 0.08 5.08 -1.85 0.24 114.58 119.05 3fwc h GLU 79 Ca 0.12 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.22 3fwc h GLU 79 Cb 0.69 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.95 3fwc h GLU 79 CO 0.05 0.00 -1.18 1.15 -1.00 0.00 0.00 179.01 178.03 3fwc h THR 80 N 0.00 1.45 0.00 1.13 2.02 -1.58 -2.80 112.91 113.13 3fwc h THR 80 Ca 0.00 -2.85 0.00 0.00 0.77 0.00 0.00 66.41 64.33 3fwc h THR 80 Cb 0.34 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 69.56 3fwc h THR 80 CO 0.00 0.84 0.00 1.62 0.37 0.00 0.00 175.52 178.35 3fwc h VAL 81 N 0.13 0.00 0.10 3.16 3.04 -0.14 -1.74 116.25 120.80 3fwc h VAL 81 Ca -0.13 -0.86 -0.01 0.00 -1.01 0.00 0.00 66.70 64.69 3fwc h VAL 81 Cb 1.88 1.86 0.00 0.00 -2.01 0.00 0.00 31.29 33.01 3fwc h VAL 81 CO 0.20 0.00 -0.05 -0.07 -1.01 0.00 0.00 177.57 176.64 3fwc h LEU 82 N 0.00 -0.12 -2.03 3.16 3.38 -0.62 0.23 115.31 119.31 3fwc h LEU 82 Ca 0.00 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 57.89 3fwc h LEU 82 Cb 0.91 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3fwc h LEU 82 CO 0.00 0.12 0.39 0.50 0.09 0.00 0.00 178.44 179.54 3fwc h LYS 83 N -0.36 0.00 0.21 1.13 3.64 -1.26 0.38 116.57 120.30 3fwc h LYS 83 Ca -0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3fwc h LYS 83 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3fwc h LYS 83 CO 0.02 0.00 -0.10 0.37 -2.27 0.00 0.00 179.45 177.47 3fwc h GLN 84 N 0.00 -0.27 0.17 1.90 5.75 -0.36 0.56 115.11 122.86 3fwc h GLN 84 Ca 0.18 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.71 3fwc h GLN 84 Cb 0.95 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.52 3fwc h GLN 84 CO -0.00 -0.18 -0.41 0.82 -2.65 0.00 0.00 178.83 176.41 3fwc h ILE 85 N -0.91 0.17 -0.22 2.39 2.04 -0.21 -1.43 117.51 119.34 3fwc h ILE 85 Ca -0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 3fwc h ILE 85 Cb 0.21 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 36.39 3fwc h ILE 85 CO 0.05 0.00 -0.42 -0.09 0.00 0.00 0.00 178.15 177.69 3fwc h ARG 86 N -0.68 -0.42 0.00 2.37 2.43 -0.40 0.17 114.38 117.86 3fwc h ARG 86 Ca 0.01 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3fwc h ARG 86 Cb 0.68 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 3fwc h ARG 86 CO -0.21 -0.28 0.07 1.05 -1.51 0.00 0.00 179.97 179.09 3fwc h GLU 87 N -0.43 0.00 0.11 0.20 4.11 -0.45 0.31 114.58 118.43 3fwc h GLU 87 Ca 0.10 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.19 3fwc h GLU 87 Cb 0.61 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 3fwc h GLU 87 CO -0.46 0.00 -1.82 0.35 0.07 0.00 0.00 179.01 177.15 3fwc h PHE 88 N 0.00 0.43 0.00 2.06 3.57 0.34 -3.35 116.94 119.99 3fwc h PHE 88 Ca 0.00 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.18 3fwc h PHE 88 Cb 0.13 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3fwc h PHE 88 CO 0.00 1.56 0.00 -0.07 -2.23 0.00 0.00 178.31 177.57 3fwc h LEU 89 N 0.06 0.00 -0.38 0.59 3.38 0.13 -2.84 115.31 116.25 3fwc h LEU 89 Ca -0.35 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 3fwc h LEU 89 Cb 2.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 3fwc h LEU 89 CO 0.12 0.00 -0.18 -0.33 0.09 0.00 0.00 178.44 178.14 3fwc h GLU 90 N 0.00 0.00 -0.18 1.13 5.08 -1.43 -3.24 114.58 115.93 3fwc h GLU 90 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3fwc h GLU 90 Cb 0.42 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3fwc h GLU 90 CO 0.00 0.18 0.03 0.93 -1.00 0.00 0.00 179.01 179.15 3fwc h GLU 91 N 0.00 0.31 0.37 2.33 3.07 -1.66 -3.19 114.58 115.81 3fwc h GLU 91 Ca -0.00 -0.08 -0.01 0.00 -0.50 0.00 0.00 59.36 58.77 3fwc h GLU 91 Cb 1.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 3fwc h GLU 91 CO 0.02 0.47 -0.28 0.82 -1.40 0.00 0.00 179.01 178.65 3fwc h ILE 92 N 0.09 0.42 0.00 3.13 1.08 -1.71 -3.53 117.51 117.00 3fwc h ILE 92 Ca 0.06 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.53 3fwc h ILE 92 Cb 0.31 0.42 0.00 0.00 -3.07 0.00 0.00 36.82 34.48 3fwc h ILE 92 CO 0.00 0.00 0.00 1.33 -0.69 0.00 0.00 178.15 178.79