#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fwc n SER 10 N 0.00 0.13 -0.00 4.39 3.41 -1.26 -2.64 113.62 117.65 3fwc n SER 10 Ca 0.00 0.53 0.06 0.00 -0.26 0.00 0.00 58.87 59.20 3fwc n SER 10 Cb 0.00 -0.55 -0.13 0.00 -0.26 0.00 0.00 64.21 63.26 3fwc n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fwc n GLN 11 N -1.63 0.65 0.27 4.33 3.00 -1.26 -2.54 117.38 120.20 3fwc n GLN 11 Ca 0.04 -0.08 0.15 0.00 -0.01 0.00 0.00 57.00 57.11 3fwc n GLN 11 Cb 0.22 -1.60 0.75 0.00 0.00 0.00 0.00 30.24 29.62 3fwc n GLN 11 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.06 178.03 3fwc h ILE 12 N 0.00 0.32 0.08 5.09 2.10 -1.94 0.41 117.51 123.57 3fwc h ILE 12 Ca -0.11 -0.54 -0.26 0.00 1.08 0.00 0.00 64.86 65.04 3fwc h ILE 12 Cb 1.28 1.40 0.02 0.00 -1.09 0.00 0.00 36.82 38.44 3fwc h ILE 12 CO 0.01 0.08 -1.05 -0.61 -1.08 0.00 0.00 178.15 175.50 3fwc h GLN 13 N 0.00 0.56 0.00 2.19 4.15 -1.56 -2.95 115.11 117.51 3fwc h GLN 13 Ca -0.00 -0.72 -0.04 0.00 0.77 0.00 0.00 58.65 58.66 3fwc h GLN 13 Cb 0.40 0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 3fwc h GLN 13 CO 0.01 1.31 -0.18 0.37 -1.93 0.00 0.00 178.83 178.41 3fwc h GLN 14 N 0.15 0.00 -0.02 1.69 4.15 -1.00 -2.24 115.11 117.84 3fwc h GLN 14 Ca -0.16 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.25 3fwc h GLN 14 Cb 1.74 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.43 3fwc h GLN 14 CO 0.20 0.18 -0.03 1.88 -1.93 0.00 0.00 178.83 179.13 3fwc h TYR 15 N 0.00 0.07 -0.88 3.99 0.05 -0.29 -2.63 116.97 117.28 3fwc h TYR 15 Ca -0.00 -0.02 0.22 0.00 0.05 0.00 0.00 58.73 58.98 3fwc h TYR 15 Cb 0.67 -0.01 -0.13 0.00 1.01 0.00 0.00 36.73 38.27 3fwc h TYR 15 CO 0.00 0.59 0.35 -0.07 -1.05 0.00 0.00 178.16 177.99 3fwc h LEU 16 N -0.48 0.25 -0.18 3.88 3.38 -1.29 0.36 115.31 121.23 3fwc h LEU 16 Ca 0.00 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3fwc h LEU 16 Cb 0.59 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3fwc h LEU 16 CO 0.01 -0.04 0.11 0.58 0.09 0.00 0.00 178.44 179.19 3fwc h VAL 17 N 0.35 1.04 -0.02 1.22 2.07 -1.35 -2.60 116.25 116.95 3fwc h VAL 17 Ca 0.55 -0.08 -0.10 0.00 0.82 0.00 0.00 66.70 67.89 3fwc h VAL 17 Cb 1.06 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3fwc h VAL 17 CO -0.55 0.04 -0.45 -0.33 0.02 0.00 0.00 177.57 176.30 3fwc h GLU 18 N 0.23 0.05 0.00 1.57 5.08 -0.59 -2.78 114.58 118.14 3fwc h GLU 18 Ca 0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3fwc h GLU 18 Cb -0.02 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3fwc h GLU 18 CO -0.02 0.49 -0.12 0.77 -1.00 0.00 0.00 179.01 179.13 3fwc h SER 19 N 0.04 0.00 0.00 1.42 0.02 -0.09 -3.45 113.55 111.48 3fwc h SER 19 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fwc h SER 19 Cb 0.82 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.36 3fwc h SER 19 CO 0.06 0.12 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 3fwc n GLY 20 N -0.86 0.80 0.07 -3.77 0.00 -1.05 -4.93 105.19 95.45 3fwc n GLY 20 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 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 0.05 -0.55 1.61 -0.26 -1.75 -3.05 115.58 111.62 3fwc h ASN 21 Ca 0.00 -0.06 0.08 0.00 -0.56 0.00 0.00 56.30 55.76 3fwc h ASN 21 Cb 0.00 -0.02 -0.07 0.00 -1.06 0.00 0.00 38.32 37.18 3fwc h ASN 21 CO 0.00 1.05 0.18 0.22 -1.06 0.00 0.00 177.43 177.82 3fwc h TYR 22 N 0.01 0.32 -0.16 1.19 3.20 -1.77 -0.95 116.97 118.81 3fwc h TYR 22 Ca -0.07 0.03 -0.18 0.00 3.14 0.00 0.00 58.73 61.65 3fwc h TYR 22 Cb 1.83 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 40.04 3fwc h TYR 22 CO 0.01 0.07 -0.63 1.49 -1.64 0.00 0.00 178.16 177.46 3fwc h GLU 23 N 0.35 0.57 -0.46 1.82 4.81 -1.86 -2.10 114.58 117.71 3fwc h GLU 23 Ca 0.28 -0.40 -0.02 0.00 -0.13 0.00 0.00 59.36 59.09 3fwc h GLU 23 Cb 0.34 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3fwc h GLU 23 CO -0.30 1.02 0.23 -0.07 -0.73 0.00 0.00 179.01 179.16 3fwc h LEU 24 N 0.42 0.60 -0.73 1.64 3.38 -1.30 0.30 115.31 119.62 3fwc h LEU 24 Ca -0.01 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3fwc h LEU 24 Cb 1.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3fwc h LEU 24 CO 0.12 0.55 -0.21 0.40 0.09 0.00 0.00 178.44 179.39 3fwc h ILE 25 N 0.60 1.27 -0.27 1.22 2.04 -1.20 -1.75 117.51 119.42 3fwc h ILE 25 Ca 0.16 -1.30 0.00 0.00 1.00 0.00 0.00 64.86 64.72 3fwc h ILE 25 Cb 0.11 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3fwc h ILE 25 CO -0.02 0.43 0.18 0.28 0.00 0.00 0.00 178.15 179.02 3fwc h SER 26 N 0.65 0.31 0.73 1.72 0.02 -0.93 0.77 113.55 116.82 3fwc h SER 26 Ca 0.09 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3fwc h SER 26 Cb 0.71 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3fwc h SER 26 CO 0.05 0.23 0.00 0.78 -1.14 0.00 0.00 176.83 176.75 3fwc h ASN 27 N 0.37 0.00 0.65 3.07 2.35 -0.65 -1.03 115.58 120.34 3fwc h ASN 27 Ca 0.10 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.59 3fwc h ASN 27 Cb -0.04 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.29 3fwc h ASN 27 CO -0.02 0.00 -1.49 -0.33 -1.65 0.00 0.00 177.43 173.94 3fwc h GLU 28 N 0.00 0.00 -0.31 0.81 5.08 -0.51 -2.66 114.58 116.99 3fwc h GLU 28 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3fwc h GLU 28 Cb 0.37 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3fwc h GLU 28 CO 0.00 0.63 -0.36 1.25 -1.00 0.00 0.00 179.01 179.53 3fwc h LEU 29 N 0.00 0.85 -0.81 1.33 5.85 -0.29 -2.80 115.31 119.44 3fwc h LEU 29 Ca -0.20 -0.49 -0.09 0.00 0.84 0.00 0.00 57.88 57.94 3fwc h LEU 29 Cb 1.93 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.70 3fwc h LEU 29 CO 0.09 1.17 -0.10 0.11 -0.34 0.00 0.00 178.44 179.37 3fwc h LYS 30 N 0.56 0.79 -0.36 1.25 1.57 -1.32 -1.95 116.57 117.11 3fwc h LYS 30 Ca 0.04 -0.26 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 3fwc h LYS 30 Cb 0.95 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.18 3fwc h LYS 30 CO 0.09 0.86 0.00 0.00 -0.57 0.00 0.00 179.45 179.83 3fwc h ALA 31 N 1.17 1.34 0.14 3.86 0.00 -1.43 -2.86 119.26 121.47 3fwc h ALA 31 Ca 0.12 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 3fwc h ALA 31 Cb 0.59 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3fwc h ALA 31 CO 0.04 0.46 -1.55 0.00 0.00 0.00 0.00 179.25 178.19 3fwc h ARG 32 N 0.53 0.29 0.00 0.00 3.08 -1.25 -2.73 114.38 114.31 3fwc h ARG 32 Ca 0.11 -0.50 -0.01 0.00 0.07 0.00 0.00 59.98 59.66 3fwc h ARG 32 Cb 0.34 0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3fwc h ARG 32 CO 0.01 1.17 -0.03 -0.07 -1.07 0.00 0.00 179.97 179.98 3fwc h LEU 33 N 0.08 0.00 0.15 3.04 3.38 -1.34 -0.39 115.31 120.23 3fwc h LEU 33 Ca -0.26 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.42 3fwc h LEU 33 Cb 2.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.79 3fwc h LEU 33 CO 0.17 0.03 -1.39 0.25 0.09 0.00 0.00 178.44 177.60 3fwc h LEU 34 N 0.00 0.49 0.61 1.67 5.85 -1.49 0.10 115.31 122.55 3fwc h LEU 34 Ca -0.00 -0.57 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 3fwc h LEU 34 Cb 0.08 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 40.95 3fwc h LEU 34 CO 0.00 1.46 -0.29 1.56 -0.34 0.00 0.00 178.44 180.83 3fwc h GLN 35 N 0.09 -0.79 0.00 1.25 4.20 -0.96 -3.13 115.11 115.77 3fwc h GLN 35 Ca -0.19 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.57 3fwc h GLN 35 Cb 2.02 0.18 0.00 0.00 0.30 0.00 0.00 27.48 29.98 3fwc h GLN 35 CO 0.20 -0.49 0.00 -0.85 -0.67 0.00 0.00 178.83 177.02 3fwc n GLU 36 N -5.34 0.41 -1.09 1.46 0.28 -0.26 -4.78 120.64 111.33 3fwc n GLU 36 Ca -0.11 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.86 3fwc n GLU 36 Cb 0.34 -1.13 -0.01 0.00 1.43 0.00 0.00 31.44 32.07 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 -0.11 0.61 0.18 -1.84 0.00 -1.18 -4.92 105.19 97.92 3fwc n GLY 37 Ca 0.03 -0.45 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 0.53 -0.21 1.61 7.01 -1.06 -1.55 115.95 122.27 3fwc h TRP 38 Ca -0.06 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 60.97 3fwc h TRP 38 Cb 0.32 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 27.17 3fwc h TRP 38 CO 0.16 0.38 -0.05 0.28 -2.79 0.00 0.00 178.44 176.43 3fwc h VAL 39 N 0.52 0.80 -0.41 2.65 2.07 -1.74 -1.10 116.25 119.03 3fwc h VAL 39 Ca 0.14 -0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 3fwc h VAL 39 Cb 0.02 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3fwc h VAL 39 CO -0.03 0.00 0.28 0.44 0.02 0.00 0.00 177.57 178.29 3fwc h ASP 40 N 0.01 0.30 -0.34 0.57 3.45 -1.77 0.03 116.42 118.67 3fwc h ASP 40 Ca 0.10 -0.00 -0.15 0.00 0.43 0.00 0.00 57.03 57.41 3fwc h ASP 40 Cb 0.15 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 3fwc h ASP 40 CO -0.21 0.20 -0.37 0.11 -1.57 0.00 0.00 179.24 177.40 3fwc h LYS 41 N 0.35 0.89 0.00 3.56 1.57 -0.26 -1.78 116.57 120.90 3fwc h LYS 41 Ca 0.18 -0.45 -0.06 0.00 -1.87 0.00 0.00 60.65 58.45 3fwc h LYS 41 Cb 0.27 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 3fwc h LYS 41 CO -0.04 1.10 -0.26 0.28 -0.57 0.00 0.00 179.45 179.96 3fwc h VAL 42 N 0.73 0.53 0.03 0.50 2.07 -0.05 -1.54 116.25 118.53 3fwc h VAL 42 Ca 0.06 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 3fwc h VAL 42 Cb 0.95 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 32.71 3fwc h VAL 42 CO 0.09 0.26 -0.01 0.11 0.02 0.00 0.00 177.57 178.03 3fwc h LYS 43 N 0.00 -0.04 -0.33 1.57 1.57 -0.89 -2.27 116.57 116.18 3fwc h LYS 43 Ca -0.00 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3fwc h LYS 43 Cb 0.97 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 33.23 3fwc h LYS 43 CO 0.03 0.44 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.84 3fwc h ASP 44 N -0.54 -0.31 -0.24 0.86 3.45 -1.14 -1.10 116.42 117.41 3fwc h ASP 44 Ca -0.00 0.10 0.05 0.00 0.43 0.00 0.00 57.03 57.60 3fwc h ASP 44 Cb 0.50 0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 39.43 3fwc h ASP 44 CO 0.01 -0.11 -0.04 0.25 -1.57 0.00 0.00 179.24 177.78 3fwc h LEU 45 N 0.00 -0.18 -1.16 1.55 5.85 -1.30 0.34 115.31 120.41 3fwc h LEU 45 Ca 0.16 0.07 0.10 0.00 0.84 0.00 0.00 57.88 59.05 3fwc h LEU 45 Cb 0.24 0.13 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 3fwc h LEU 45 CO -0.34 -0.06 0.59 0.74 -0.34 0.00 0.00 178.44 179.03 3fwc h THR 46 N 0.02 0.97 0.00 1.05 2.02 -0.75 -0.27 112.91 115.95 3fwc h THR 46 Ca 0.12 -0.32 -0.12 0.00 0.77 0.00 0.00 66.41 66.86 3fwc h THR 46 Cb 0.17 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.53 3fwc h THR 46 CO -0.23 0.17 -0.59 0.11 0.37 0.00 0.00 175.52 175.34 3fwc h LYS 47 N 0.92 0.00 0.07 6.66 1.57 0.02 -2.79 116.57 123.02 3fwc h LYS 47 Ca 0.43 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.20 3fwc h LYS 47 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 3fwc h LYS 47 CO -0.19 0.59 -0.03 1.03 -0.57 0.00 0.00 179.45 180.28 3fwc h SER 48 N 0.00 -0.08 0.21 0.86 0.87 0.72 -2.80 113.55 113.33 3fwc h SER 48 Ca -0.01 -0.31 -0.03 0.00 -1.23 0.00 0.00 61.79 60.22 3fwc h SER 48 Cb 1.12 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 63.09 3fwc h SER 48 CO 0.08 0.27 -0.14 -0.33 -0.53 0.00 0.00 176.83 176.18 3fwc h GLU 49 N -0.44 0.00 0.00 2.24 4.39 -1.30 -0.84 114.58 118.64 3fwc h GLU 49 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3fwc h GLU 49 Cb 0.38 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3fwc h GLU 49 CO 0.02 0.14 0.00 -1.33 -1.16 0.00 0.00 179.01 176.67 3fwc n MET 50 N -4.09 0.35 -0.05 2.33 2.81 -1.06 -3.29 117.12 114.13 3fwc n MET 50 Ca -0.02 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3fwc n MET 50 Cb 0.22 -1.50 -0.15 0.00 -0.71 0.00 0.00 33.22 31.09 3fwc n MET 50 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3fwc n ASN 51 N -1.32 0.59 0.13 7.83 3.02 -0.36 -4.33 115.26 120.82 3fwc n ASN 51 Ca 0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.56 3fwc n ASN 51 Cb 0.25 1.39 -0.07 0.00 -0.61 0.00 0.00 39.78 40.74 3fwc n ASN 51 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fwc h ILE 52 N 0.00 0.62 -4.30 2.41 2.04 -1.43 -3.43 117.51 113.41 3fwc h ILE 52 Ca -0.25 -0.80 -0.70 0.00 1.00 0.00 0.00 64.86 64.11 3fwc h ILE 52 Cb 1.52 0.97 -0.26 0.00 -0.74 0.00 0.00 36.82 38.31 3fwc h ILE 52 CO 0.01 0.14 -0.83 0.20 0.00 0.00 0.00 178.15 177.67 3fwc s ASN 53 N -5.18 3.54 0.00 1.72 0.01 -1.22 -5.00 114.94 108.80 3fwc s ASN 53 Ca -0.13 -0.34 0.13 0.00 -0.71 0.00 0.00 52.86 51.81 3fwc s ASN 53 Cb 0.01 -0.59 -0.08 0.00 0.41 0.00 0.00 41.25 41.01 3fwc s ASN 53 CO 0.47 0.33 0.64 1.21 -1.51 0.00 0.00 177.10 178.23 3fwc n GLU 54 N 2.32 2.38 0.00 -0.60 2.13 -1.26 -4.21 120.64 121.39 3fwc n GLU 54 Ca -0.17 -0.33 0.12 0.00 0.66 0.00 0.00 57.16 57.45 3fwc n GLU 54 Cb 0.52 -1.14 0.19 0.00 0.27 0.00 0.00 31.44 31.27 3fwc n GLU 54 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3fwc n SER 55 N -0.79 1.94 -4.67 4.31 3.41 -1.26 -4.87 113.62 111.69 3fwc n SER 55 Ca 0.04 -1.48 -0.43 0.00 -0.26 0.00 0.00 58.87 56.74 3fwc n SER 55 Cb 0.24 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.38 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 -2.30 4.19 0.99 6.66 2.01 -1.26 -5.02 115.64 120.91 3fwc s THR 56 Ca 0.25 1.48 -0.17 0.00 0.31 0.00 0.00 61.69 63.56 3fwc s THR 56 Cb 0.19 -3.95 0.21 0.00 0.01 0.00 0.00 72.50 68.96 3fwc s THR 56 CO 0.46 -0.08 1.33 0.54 -0.69 0.00 0.00 174.62 176.18 3fwc s ASN 57 N 1.90 2.90 0.06 3.53 2.20 -1.26 -4.80 114.94 119.46 3fwc s ASN 57 Ca 0.57 0.24 -0.28 0.00 -0.94 0.00 0.00 52.86 52.44 3fwc s ASN 57 Cb -0.24 -0.25 -0.17 0.00 -2.00 0.00 0.00 41.25 38.59 3fwc s ASN 57 CO 0.18 -2.87 1.57 0.15 -2.94 0.00 0.00 177.10 173.20 3fwc h PHE 58 N -1.74 -0.47 -1.00 1.54 3.57 -1.99 -2.15 116.94 114.70 3fwc h PHE 58 Ca -0.44 -0.01 0.22 0.00 3.53 0.00 0.00 57.97 61.27 3fwc h PHE 58 Cb 1.23 0.16 -0.10 0.00 2.79 0.00 0.00 35.95 40.02 3fwc h PHE 58 CO -1.33 -0.24 0.62 1.15 -2.23 0.00 0.00 178.31 176.27 3fwc h THR 59 N -0.59 0.62 0.02 4.41 2.02 -1.99 -0.27 112.91 117.13 3fwc h THR 59 Ca -0.05 -0.21 -0.12 0.00 0.77 0.00 0.00 66.41 66.80 3fwc h THR 59 Cb 0.44 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 3fwc h THR 59 CO 0.09 0.11 -0.48 1.56 0.37 0.00 0.00 175.52 177.17 3fwc h GLN 60 N 0.61 0.29 -0.43 6.66 4.20 -1.89 -2.13 115.11 122.42 3fwc h GLN 60 Ca 0.59 -0.34 0.08 0.00 0.06 0.00 0.00 58.65 59.04 3fwc h GLN 60 Cb 1.13 0.10 -0.08 0.00 0.30 0.00 0.00 27.48 28.94 3fwc h GLN 60 CO -0.37 1.05 -0.05 0.82 -0.67 0.00 0.00 178.83 179.62 3fwc h ILE 61 N -0.33 0.62 -0.28 2.54 1.08 -0.76 -1.50 117.51 118.89 3fwc h ILE 61 Ca -0.07 -0.02 0.05 0.00 -0.39 0.00 0.00 64.86 64.43 3fwc h ILE 61 Cb 1.24 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 35.51 3fwc h ILE 61 CO 0.09 0.01 0.00 0.25 -0.69 0.00 0.00 178.15 177.81 3fwc h LEU 62 N 0.05 -0.11 -0.61 1.44 5.85 -1.09 -0.85 115.31 120.00 3fwc h LEU 62 Ca 0.21 0.06 0.12 0.00 0.84 0.00 0.00 57.88 59.11 3fwc h LEU 62 Cb 0.31 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.36 3fwc h LEU 62 CO -0.39 -0.02 0.09 0.28 -0.34 0.00 0.00 178.44 178.06 3fwc h SER 63 N 0.08 -0.08 -0.22 1.25 0.02 -0.76 -1.99 113.55 111.85 3fwc h SER 63 Ca 0.13 0.13 -0.16 0.00 -0.84 0.00 0.00 61.79 61.05 3fwc h SER 63 Cb 0.18 0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3fwc h SER 63 CO -0.23 -0.03 -0.44 0.74 -1.14 0.00 0.00 176.83 175.73 3fwc h THR 64 N 0.21 1.29 0.05 -2.27 2.02 -0.27 -3.27 112.91 110.67 3fwc h THR 64 Ca 0.32 -1.62 -0.27 0.00 0.77 0.00 0.00 66.41 65.62 3fwc h THR 64 Cb 0.50 1.51 0.02 0.00 -1.74 0.00 0.00 68.15 68.44 3fwc h THR 64 CO -0.45 0.53 -1.10 0.58 0.37 0.00 0.00 175.52 175.45 3fwc h VAL 65 N 0.63 1.34 0.01 3.16 2.07 -0.90 -3.35 116.25 119.21 3fwc h VAL 65 Ca 0.04 -2.46 0.02 0.00 0.82 0.00 0.00 66.70 65.13 3fwc h VAL 65 Cb 1.00 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 33.29 3fwc h VAL 65 CO 0.10 0.74 -0.17 -0.33 0.02 0.00 0.00 177.57 177.93 3fwc h GLU 66 N 0.27 -0.28 -0.70 1.57 5.08 -1.42 0.14 114.58 119.25 3fwc h GLU 66 Ca -0.13 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3fwc h GLU 66 Cb 1.76 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 31.04 3fwc h GLU 66 CO 0.20 -0.18 0.41 -1.35 -1.00 0.00 0.00 179.01 177.09 3fwc h PRO 67 N -0.29 0.96 0.00 2.33 0.11 -1.74 -2.14 132.00 131.23 3fwc h PRO 67 Ca 0.05 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 3fwc h PRO 67 Cb 0.35 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 3fwc h PRO 67 CO -0.16 0.69 -0.04 0.87 -0.21 0.00 0.00 178.00 179.16 3fwc h LYS 68 N 0.96 0.00 -0.19 1.05 1.57 -1.59 -3.09 116.57 115.27 3fwc h LYS 68 Ca 0.25 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.99 3fwc h LYS 68 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3fwc h LYS 68 CO -0.05 0.04 -0.04 0.00 -0.57 0.00 0.00 179.45 178.83 3fwc h ALA 69 N 1.96 0.27 -0.74 3.86 0.00 -0.04 -2.80 119.26 121.78 3fwc h ALA 69 Ca -0.00 -0.25 0.11 0.00 0.00 0.00 0.00 54.91 54.77 3fwc h ALA 69 Cb 0.55 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 3fwc h ALA 69 CO 0.00 0.04 0.35 -0.07 0.00 0.00 0.00 179.25 179.58 3fwc h LEU 70 N 0.09 0.44 -1.15 0.00 4.07 -1.44 -2.64 115.31 114.68 3fwc h LEU 70 Ca 0.05 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.08 3fwc h LEU 70 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 3fwc h LEU 70 CO 0.02 0.23 0.00 -0.62 -1.08 0.00 0.00 178.44 176.99 3fwc n GLU 71 N -4.89 0.17 0.05 1.13 -0.58 -1.06 -1.15 120.64 114.32 3fwc n GLU 71 Ca 0.12 0.55 0.12 0.00 -0.42 0.00 0.00 57.16 57.53 3fwc n GLU 71 Cb 0.32 -1.94 0.18 0.00 -0.57 0.00 0.00 31.44 29.44 3fwc n GLU 71 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3fwc n MET 72 N -2.27 0.26 -1.97 3.49 2.81 -0.99 -4.85 117.12 113.59 3fwc n MET 72 Ca 0.00 0.08 -0.42 0.00 -1.81 0.00 0.00 57.70 55.55 3fwc n MET 72 Cb 0.12 -1.67 -0.03 0.00 -0.71 0.00 0.00 33.22 30.94 3fwc n MET 72 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 3fwc s VAL 73 N -3.15 3.52 0.49 2.03 -7.23 -0.30 -4.93 120.40 110.83 3fwc s VAL 73 Ca 0.07 0.63 -0.20 0.00 -1.81 0.00 0.00 61.98 60.67 3fwc s VAL 73 Cb 0.14 -3.41 -0.11 0.00 0.56 0.00 0.00 36.38 33.56 3fwc s VAL 73 CO 0.72 -0.06 0.45 -0.24 -0.31 0.00 0.00 175.10 175.66 3fwc n SER 74 N 7.16 -1.30 0.11 4.85 2.88 -1.26 -4.84 113.62 121.21 3fwc n SER 74 Ca 0.17 0.80 -0.01 0.00 -1.33 0.00 0.00 58.87 58.51 3fwc n SER 74 Cb 0.43 -1.10 0.24 0.00 -0.75 0.00 0.00 64.21 63.02 3fwc n SER 74 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3fwc h ASP 75 N 0.47 0.20 0.18 -3.46 3.32 -1.97 -2.59 116.42 112.57 3fwc h ASP 75 Ca -0.43 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 3fwc h ASP 75 Cb 1.41 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3fwc h ASP 75 CO 0.48 0.60 -0.09 0.28 -1.72 0.00 0.00 179.24 178.80 3fwc h SER 76 N 0.16 -0.20 -0.21 6.45 0.02 -2.00 -1.16 113.55 116.61 3fwc h SER 76 Ca 0.01 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3fwc h SER 76 Cb 0.81 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 3fwc h SER 76 CO 0.06 -0.04 0.04 0.74 -1.14 0.00 0.00 176.83 176.49 3fwc h THR 77 N -0.36 1.16 -0.06 -2.27 2.02 -1.91 -1.47 112.91 110.01 3fwc h THR 77 Ca -0.02 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3fwc h THR 77 Cb 0.28 0.90 -0.00 0.00 -1.74 0.00 0.00 68.15 67.59 3fwc h THR 77 CO 0.04 0.21 0.04 0.03 0.37 0.00 0.00 175.52 176.21 3fwc h ARG 78 N 0.44 0.09 -0.18 6.66 3.08 -1.25 -3.16 114.38 120.06 3fwc h ARG 78 Ca 0.10 -0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.19 3fwc h ARG 78 Cb 0.23 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.19 3fwc h ARG 78 CO 0.00 0.07 -0.43 1.49 -1.07 0.00 0.00 179.97 180.03 3fwc h GLU 79 N 0.07 -0.45 -0.56 0.04 4.81 -0.15 -2.33 114.58 116.02 3fwc h GLU 79 Ca 0.02 0.03 0.10 0.00 -0.13 0.00 0.00 59.36 59.39 3fwc h GLU 79 Cb 0.01 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 29.38 3fwc h GLU 79 CO -0.00 -0.30 -0.30 1.15 -0.73 0.00 0.00 179.01 178.82 3fwc h THR 80 N -0.47 0.22 -0.36 0.32 2.02 -1.44 0.27 112.91 113.47 3fwc h THR 80 Ca 0.08 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.37 3fwc h THR 80 Cb 0.62 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3fwc h THR 80 CO -0.43 0.00 0.27 0.58 0.37 0.00 0.00 175.52 176.31 3fwc h VAL 81 N -0.15 0.76 -0.01 3.16 2.07 -1.39 0.19 116.25 120.89 3fwc h VAL 81 Ca 0.23 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.56 3fwc h VAL 81 Cb 0.53 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3fwc h VAL 81 CO -0.64 0.00 -0.74 -0.07 0.02 0.00 0.00 177.57 176.13 3fwc h LEU 82 N 0.00 0.66 -0.37 2.57 3.38 -0.34 -2.72 115.31 118.50 3fwc h LEU 82 Ca 0.17 -0.75 0.05 0.00 0.09 0.00 0.00 57.88 57.44 3fwc h LEU 82 Cb 0.71 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3fwc h LEU 82 CO -0.00 1.32 0.10 0.50 0.09 0.00 0.00 178.44 180.45 3fwc h LYS 83 N 0.07 0.22 -0.35 1.13 3.64 0.78 -0.86 116.57 121.21 3fwc h LYS 83 Ca -0.09 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.22 3fwc h LYS 83 Cb 1.43 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.19 3fwc h LYS 83 CO 0.15 0.15 0.00 1.96 -2.27 0.00 0.00 179.45 179.43 3fwc h GLN 84 N 0.23 0.61 -0.01 1.90 4.20 -0.97 -0.03 115.11 121.04 3fwc h GLN 84 Ca 0.18 -0.20 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 3fwc h GLN 84 Cb 0.19 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3fwc h GLN 84 CO -0.21 0.73 -0.12 0.97 -0.67 0.00 0.00 178.83 179.53 3fwc h ILE 85 N 0.43 1.10 -0.18 2.54 2.10 -1.29 -2.34 117.51 119.86 3fwc h ILE 85 Ca 0.10 -0.45 -0.09 0.00 1.08 0.00 0.00 64.86 65.50 3fwc h ILE 85 Cb 0.45 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 37.41 3fwc h ILE 85 CO 0.02 0.13 -0.23 -0.09 -1.08 0.00 0.00 178.15 176.89 3fwc h ARG 86 N 0.02 0.47 -0.94 2.19 2.43 -0.39 -2.46 114.38 115.70 3fwc h ARG 86 Ca 0.00 -0.27 0.27 0.00 -0.81 0.00 0.00 59.98 59.17 3fwc h ARG 86 Cb 0.23 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3fwc h ARG 86 CO 0.02 0.86 0.80 0.93 -1.51 0.00 0.00 179.97 181.06 3fwc h GLU 87 N 0.12 0.00 0.07 0.20 4.39 -0.47 -1.83 114.58 117.07 3fwc h GLU 87 Ca 0.02 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.40 3fwc h GLU 87 Cb 0.80 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 3fwc h GLU 87 CO 0.06 0.00 -1.80 0.34 -1.16 0.00 0.00 179.01 176.45 3fwc n PHE 88 N -3.88 1.07 0.13 4.33 7.35 -1.08 -4.25 117.46 121.13 3fwc n PHE 88 Ca 0.20 0.30 0.01 0.00 -0.76 0.00 0.00 57.45 57.20 3fwc n PHE 88 Cb 1.12 -1.13 0.34 0.00 0.35 0.00 0.00 39.48 40.16 3fwc n PHE 88 CO 0.00 0.00 0.00 1.37 -0.76 0.00 0.00 176.76 177.37 3fwc h LEU 89 N -0.34 0.18 -2.08 -2.13 8.10 -0.91 -1.53 115.31 116.60 3fwc h LEU 89 Ca -0.42 -0.05 0.09 0.00 0.11 0.00 0.00 57.88 57.61 3fwc h LEU 89 Cb 1.76 -0.05 -0.01 0.00 -0.44 0.00 0.00 40.66 41.92 3fwc h LEU 89 CO -0.04 0.44 0.34 -0.33 -4.11 0.00 0.00 178.44 174.74 3fwc h GLU 90 N 0.17 0.00 -5.60 0.17 5.08 -1.54 -3.32 114.58 109.55 3fwc h GLU 90 Ca 0.03 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.71 3fwc h GLU 90 Cb 0.55 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.68 3fwc h GLU 90 CO 0.04 0.00 1.71 -1.21 -1.00 0.00 0.00 179.01 178.55 3fwc s GLU 91 N -4.64 3.87 0.00 2.33 2.02 -0.58 -5.14 118.70 116.56 3fwc s GLU 91 Ca -0.04 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.06 3fwc s GLU 91 Cb 0.16 -5.33 0.00 0.00 0.10 0.00 0.00 34.13 29.06 3fwc s GLU 91 CO 0.56 -2.09 0.00 -0.89 0.02 0.00 0.00 175.26 172.85