#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cab h TRP 4 N 0.00 0.00 -2.40 -0.67 5.08 -2.05 -3.46 115.95 112.46 3cab h TRP 4 Ca 0.00 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 59.42 3cab h TRP 4 Cb 0.00 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.16 3cab h TRP 4 CO 0.00 0.00 1.25 0.08 -1.28 0.00 0.00 178.44 178.49 3cab s VAL 5 N -3.31 3.23 0.55 0.12 1.01 -1.26 -4.95 120.40 115.79 3cab s VAL 5 Ca 0.01 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.14 3cab s VAL 5 Cb 0.10 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.23 3cab s VAL 5 CO 0.77 -0.06 0.96 -2.16 0.00 0.00 0.00 175.10 174.61 3cab s PRO 6 N 4.83 3.71 0.58 2.72 0.04 -1.26 -4.95 135.00 140.67 3cab s PRO 6 Ca 0.86 0.71 0.39 0.00 0.04 0.00 0.00 61.00 62.99 3cab s PRO 6 Cb -0.36 -2.17 1.97 0.00 0.04 0.00 0.00 34.50 33.98 3cab s PRO 6 CO 0.36 -0.38 2.17 -1.00 0.04 0.00 0.00 177.00 178.19 3cab h PRO 7 N 0.28 0.00 -0.02 0.56 0.13 -2.00 -2.24 132.00 128.71 3cab h PRO 7 Ca -0.46 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.62 3cab h PRO 7 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 3cab h PRO 7 CO 0.62 0.00 -0.25 0.93 -0.23 0.00 0.00 178.00 179.07 3cab h GLU 8 N 0.00 0.04 -0.55 0.86 3.07 -2.01 -2.09 114.58 113.90 3cab h GLU 8 Ca 0.00 -0.01 -0.07 0.00 -0.50 0.00 0.00 59.36 58.78 3cab h GLU 8 Cb 0.15 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 3cab h GLU 8 CO 0.00 0.28 0.05 0.28 -1.40 0.00 0.00 179.01 178.22 3cab h VAL 9 N 0.03 1.25 -0.66 3.13 2.07 -1.79 -2.21 116.25 118.08 3cab h VAL 9 Ca 0.00 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.54 3cab h VAL 9 Cb 0.46 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 3cab h VAL 9 CO 0.03 0.36 0.42 -0.26 0.02 0.00 0.00 177.57 178.14 3cab h PHE 10 N 0.84 0.84 0.19 1.57 0.04 -1.52 -1.92 116.94 117.00 3cab h PHE 10 Ca 0.17 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 3cab h PHE 10 Cb 0.43 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.30 3cab h PHE 10 CO 0.03 0.54 -0.09 -0.44 -0.60 0.00 0.00 178.31 177.75 3cab h ASP 11 N 0.90 -0.22 -0.84 2.17 3.32 -1.43 -2.99 116.42 117.33 3cab h ASP 11 Ca 0.24 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.29 3cab h ASP 11 Cb -0.07 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 3cab h ASP 11 CO -0.05 -0.08 0.55 0.25 -1.72 0.00 0.00 179.24 178.19 3cab h LEU 12 N -0.35 0.84 -1.12 1.55 5.85 -0.84 -2.35 115.31 118.89 3cab h LEU 12 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3cab h LEU 12 Cb 0.27 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.12 3cab h LEU 12 CO 0.04 0.54 0.00 1.33 -0.34 0.00 0.00 178.44 180.02 3cab n VAL 13 N -4.48 0.07 -0.10 1.05 0.24 -0.77 -4.54 118.33 109.80 3cab n VAL 13 Ca 0.12 -0.31 -0.06 0.00 -2.04 0.00 0.00 64.34 62.05 3cab n VAL 13 Cb 0.19 0.56 0.01 0.00 -1.47 0.00 0.00 33.84 33.13 3cab n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cab h ALA 14 N 4.31 0.37 0.05 2.33 0.00 -1.26 0.22 119.26 125.27 3cab h ALA 14 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3cab h ALA 14 Cb 0.55 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3cab h ALA 14 CO 0.00 -0.33 -0.02 1.49 0.00 0.00 0.00 179.25 180.38 3cab h GLU 15 N 0.19 -0.07 -0.32 0.00 4.81 -1.81 -1.09 114.58 116.30 3cab h GLU 15 Ca 0.16 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3cab h GLU 15 Cb 0.18 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3cab h GLU 15 CO -0.21 0.12 -0.22 -0.44 -0.73 0.00 0.00 179.01 177.53 3cab h ASP 16 N -0.24 0.61 -0.04 1.04 3.32 -1.82 -1.75 116.42 117.53 3cab h ASP 16 Ca -0.01 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 3cab h ASP 16 Cb 0.22 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 3cab h ASP 16 CO 0.01 0.82 0.02 0.50 -1.72 0.00 0.00 179.24 178.87 3cab h LYS 17 N 0.54 0.06 -0.31 3.56 3.64 -0.37 0.00 116.57 123.69 3cab h LYS 17 Ca 0.08 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.46 3cab h LYS 17 Cb 0.66 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3cab h LYS 17 CO 0.05 0.14 0.19 0.00 -2.27 0.00 0.00 179.45 177.56 3cab h ALA 18 N 0.92 0.39 0.02 5.00 0.00 -0.99 -0.52 119.26 124.08 3cab h ALA 18 Ca 0.02 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3cab h ALA 18 Cb 0.10 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3cab h ALA 18 CO -0.00 -0.17 -0.10 -0.09 0.00 0.00 0.00 179.25 178.89 3cab h ARG 19 N 0.38 -0.17 -0.87 0.00 2.43 -1.26 -1.77 114.38 113.13 3cab h ARG 19 Ca 0.12 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3cab h ARG 19 Cb -0.01 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.54 3cab h ARG 19 CO -0.05 -0.11 0.48 0.00 -1.51 0.00 0.00 179.97 178.78 3cab h MET 21 N 1.21 1.12 -0.31 0.00 2.86 -1.03 -2.27 114.93 116.51 3cab h MET 21 Ca 0.31 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.70 3cab h MET 21 Cb 0.02 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.48 3cab h MET 21 CO -0.05 0.92 0.03 0.77 1.06 0.00 0.00 176.91 179.64 3cab h SER 22 N 1.08 0.51 -0.84 1.22 0.02 -0.83 -0.30 113.55 114.41 3cab h SER 22 Ca 0.25 -0.28 0.03 0.00 -0.84 0.00 0.00 61.79 60.95 3cab h SER 22 Cb 0.21 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 3cab h SER 22 CO -0.02 0.66 0.54 -0.33 -1.14 0.00 0.00 176.83 176.55 3cab h GLU 23 N 0.34 1.03 -0.01 3.45 5.08 -1.05 -3.28 114.58 120.14 3cab h GLU 23 Ca 0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3cab h GLU 23 Cb 0.38 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3cab h GLU 23 CO 0.01 0.68 -0.23 0.72 -1.00 0.00 0.00 179.01 179.19 3cab n HIS 24 N -4.55 0.00 -1.81 4.33 8.25 -0.86 -4.99 115.22 115.59 3cab n HIS 24 Ca 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.49 3cab n HIS 24 Cb 0.08 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 3cab n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cab n GLY 25 N 1.09 0.37 3.76 -1.41 0.00 -0.19 -4.17 105.19 104.63 3cab n GLY 25 Ca 0.08 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 3cab n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cab s THR 26 N -2.32 3.76 0.22 2.61 2.01 -0.79 -4.94 115.64 116.20 3cab s THR 26 Ca 0.00 1.77 0.07 0.00 0.31 0.00 0.00 61.69 63.84 3cab s THR 26 Cb 0.00 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 3cab s THR 26 CO 0.00 0.42 0.12 0.42 -0.69 0.00 0.00 174.62 174.89 3cab s THR 27 N -1.18 4.18 0.48 -0.82 -4.23 -1.26 -4.80 115.64 108.00 3cab s THR 27 Ca 0.43 -1.42 0.16 0.00 -1.18 0.00 0.00 61.69 59.68 3cab s THR 27 Cb -0.29 -3.20 0.22 0.00 1.34 0.00 0.00 72.50 70.57 3cab s THR 27 CO 0.37 -0.27 2.06 -0.61 -0.54 0.00 0.00 174.62 175.63 3cab h GLN 28 N 1.94 0.00 -0.76 3.99 5.75 -1.99 -2.05 115.11 122.00 3cab h GLN 28 Ca -0.47 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 57.99 3cab h GLN 28 Cb 1.23 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.74 3cab h GLN 28 CO 0.61 0.11 0.34 0.00 -2.65 0.00 0.00 178.83 177.24 3cab h ALA 29 N 1.89 1.17 -0.74 3.38 0.00 -1.98 0.18 119.26 123.17 3cab h ALA 29 Ca -0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3cab h ALA 29 Cb 0.19 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3cab h ALA 29 CO 0.01 0.62 0.24 1.96 0.00 0.00 0.00 179.25 182.08 3cab h GLN 30 N 1.08 1.13 -0.27 0.00 4.20 -1.78 -1.08 115.11 118.39 3cab h GLN 30 Ca 0.26 -0.23 -0.09 0.00 0.06 0.00 0.00 58.65 58.65 3cab h GLN 30 Cb 0.14 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3cab h GLN 30 CO -0.03 0.96 -0.17 0.82 -0.67 0.00 0.00 178.83 179.73 3cab h ILE 31 N 1.09 1.30 -0.93 2.54 2.04 -1.19 -2.63 117.51 119.72 3cab h ILE 31 Ca 0.24 -1.29 0.09 0.00 1.00 0.00 0.00 64.86 64.90 3cab h ILE 31 Cb 0.29 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.85 3cab h ILE 31 CO -0.01 0.41 0.60 0.44 0.00 0.00 0.00 178.15 179.59 3cab h ASP 32 N 0.33 0.89 -0.72 1.72 3.32 -0.52 -2.65 116.42 118.79 3cab h ASP 32 Ca 0.06 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.06 3cab h ASP 32 Cb 0.71 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 3cab h ASP 32 CO 0.05 0.53 0.19 0.44 -1.72 0.00 0.00 179.24 178.73 3cab h ASP 33 N 0.99 1.09 -0.60 6.45 3.32 -0.83 -1.83 116.42 125.00 3cab h ASP 33 Ca 0.43 -0.23 0.04 0.00 0.02 0.00 0.00 57.03 57.29 3cab h ASP 33 Cb 0.34 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 3cab h ASP 33 CO -0.18 1.03 0.34 0.58 -1.72 0.00 0.00 179.24 179.29 3cab h VAL 34 N 1.09 1.01 0.00 -1.35 2.07 -1.25 0.27 116.25 118.10 3cab h VAL 34 Ca 0.23 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3cab h VAL 34 Cb 0.36 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3cab h VAL 34 CO 0.00 0.12 -0.21 0.44 0.02 0.00 0.00 177.57 177.94 3cab h ASP 35 N 0.66 0.00 -0.14 0.57 3.32 -1.40 0.50 116.42 119.93 3cab h ASP 35 Ca 0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.30 3cab h ASP 35 Cb 0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3cab h ASP 35 CO -0.14 0.21 0.00 0.29 -1.72 0.00 0.00 179.24 177.88 3cab n LYS 36 N -4.06 1.34 -2.12 3.56 5.02 -0.61 -4.91 118.16 116.39 3cab n LYS 36 Ca -0.02 -0.50 -0.17 0.00 -2.02 0.00 0.00 58.31 55.60 3cab n LYS 36 Cb 0.28 -1.14 -0.02 0.00 -0.02 0.00 0.00 35.03 34.13 3cab n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cab n GLY 37 N 0.69 0.18 3.24 0.72 0.00 0.18 -4.98 105.19 105.21 3cab n GLY 37 Ca 0.05 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 3cab n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3cab s ASN 38 N -2.38 5.69 -0.08 1.61 0.02 0.85 -4.98 114.94 115.68 3cab s ASN 38 Ca 0.00 -1.73 0.04 0.00 -1.02 0.00 0.00 52.86 50.15 3cab s ASN 38 Cb 0.00 -2.01 0.00 0.00 0.02 0.00 0.00 41.25 39.27 3cab s ASN 38 CO 0.00 -0.63 -0.19 -0.22 0.02 0.00 0.00 177.10 176.08 3cab s LEU 39 N 1.40 1.91 0.18 0.60 2.96 -1.26 -2.96 118.68 121.51 3cab s LEU 39 Ca 0.04 -0.43 0.09 0.00 -0.22 0.00 0.00 54.13 53.61 3cab s LEU 39 Cb -0.25 -1.14 -0.04 0.00 0.50 0.00 0.00 46.19 45.26 3cab s LEU 39 CO 0.01 0.12 -0.19 0.68 -1.32 0.00 0.00 176.35 175.65 3cab s VAL 40 N 0.35 1.93 -1.45 1.68 -7.23 -1.26 -5.04 120.40 109.38 3cab s VAL 40 Ca -0.14 -2.01 -0.13 0.00 -1.81 0.00 0.00 61.98 57.90 3cab s VAL 40 Cb -0.16 -1.94 0.05 0.00 0.56 0.00 0.00 36.38 34.89 3cab s VAL 40 CO 0.06 -0.33 2.26 -3.20 -0.31 0.00 0.00 175.10 173.57 3cab n ASN 41 N 0.13 4.70 -4.35 4.85 5.15 -1.26 -4.71 115.26 119.77 3cab n ASN 41 Ca -0.12 -2.86 -0.35 0.00 -0.60 0.00 0.00 54.58 50.65 3cab n ASN 41 Cb 0.58 -1.61 -0.14 0.00 -0.53 0.00 0.00 39.78 38.08 3cab n ASN 41 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3cab s GLU 42 N 2.54 3.43 0.37 1.20 0.41 -1.26 -5.01 118.70 120.38 3cab s GLU 42 Ca 0.49 -0.61 0.16 0.00 -0.41 0.00 0.00 54.97 54.60 3cab s GLU 42 Cb 0.14 -3.00 1.05 0.00 -1.78 0.00 0.00 34.13 30.54 3cab s GLU 42 CO -0.07 -0.12 1.74 -1.35 -0.49 0.00 0.00 175.26 174.97 3cab h PRO 43 N 7.86 0.42 -0.26 0.39 0.11 -1.96 0.01 132.00 138.58 3cab h PRO 43 Ca -0.39 -0.03 0.07 0.00 0.11 0.00 0.00 66.00 65.77 3cab h PRO 43 Cb 1.17 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3cab h PRO 43 CO 0.60 0.28 0.21 0.66 -0.21 0.00 0.00 178.00 179.54 3cab h SER 44 N 0.44 0.00 0.00 -2.05 4.64 -1.93 0.71 113.55 115.36 3cab h SER 44 Ca 0.63 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.60 3cab h SER 44 Cb 1.49 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.51 3cab h SER 44 CO -0.38 0.00 -2.33 0.00 -0.87 0.00 0.00 176.83 173.24 3cab n ILE 45 N -4.23 1.34 -0.24 0.95 0.13 -0.16 -4.01 119.36 113.13 3cab n ILE 45 Ca 0.03 -0.48 -0.08 0.00 -1.10 0.00 0.00 62.75 61.12 3cab n ILE 45 Cb 0.36 -1.40 0.04 0.00 -0.84 0.00 0.00 39.64 37.80 3cab n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3cab h THR 46 N -0.14 1.26 0.00 9.51 1.35 -1.05 -1.83 112.91 122.02 3cab h THR 46 Ca -0.54 -1.04 -0.09 0.00 -0.55 0.00 0.00 66.41 64.19 3cab h THR 46 Cb 1.77 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 3cab h THR 46 CO -0.13 0.39 -0.43 0.00 -0.25 0.00 0.00 175.52 175.10 3cab h TYR 48 N 0.00 0.24 -0.36 0.00 3.20 -1.60 -0.47 116.97 117.97 3cab h TYR 48 Ca -0.00 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 3cab h TYR 48 Cb 1.09 -0.07 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 3cab h TYR 48 CO 0.00 0.23 0.14 0.52 -1.64 0.00 0.00 178.16 177.42 3cab h MET 49 N 0.17 0.54 -0.46 1.82 2.86 -1.07 -0.55 114.93 118.24 3cab h MET 49 Ca 0.06 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.68 3cab h MET 49 Cb 0.08 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 3cab h MET 49 CO -0.01 0.52 0.08 -0.92 1.06 0.00 0.00 176.91 177.65 3cab h TYR 50 N 0.44 0.13 -0.38 -0.22 3.20 -1.42 -1.50 116.97 117.21 3cab h TYR 50 Ca 0.12 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.07 3cab h TYR 50 Cb 0.19 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.43 3cab h TYR 50 CO -0.00 -0.01 0.13 0.00 -1.64 0.00 0.00 178.16 176.63 3cab h LEU 52 N 0.28 0.64 -0.57 0.00 5.85 -0.96 -1.29 115.31 119.25 3cab h LEU 52 Ca 0.18 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3cab h LEU 52 Cb 0.17 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3cab h LEU 52 CO -0.19 0.86 0.36 -0.07 -0.34 0.00 0.00 178.44 179.06 3cab h LEU 53 N 0.41 0.67 -0.98 2.25 3.38 -0.98 -2.46 115.31 117.60 3cab h LEU 53 Ca 0.08 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3cab h LEU 53 Cb 0.58 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.12 3cab h LEU 53 CO 0.03 0.50 0.49 -0.08 0.09 0.00 0.00 178.44 179.47 3cab h GLU 54 N 0.77 1.20 -0.16 1.13 4.22 -0.84 -0.05 114.58 120.86 3cab h GLU 54 Ca 0.21 -0.13 0.05 0.00 0.08 0.00 0.00 59.36 59.56 3cab h GLU 54 Cb -0.06 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 3cab h GLU 54 CO -0.04 0.87 0.12 0.00 -2.18 0.00 0.00 179.01 177.77 3cab h ALA 55 N 1.32 2.15 -0.33 2.92 0.00 -0.76 -2.09 119.26 122.47 3cab h ALA 55 Ca 0.31 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3cab h ALA 55 Cb 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3cab h ALA 55 CO -0.05 -0.20 0.02 1.19 0.00 0.00 0.00 179.25 180.21 3cab n PHE 56 N -4.49 1.15 -1.81 0.00 3.72 -0.93 -4.96 117.46 110.13 3cab n PHE 56 Ca 0.01 -1.05 -0.19 0.00 -0.05 0.00 0.00 57.45 56.17 3cab n PHE 56 Cb 0.25 -0.39 -0.06 0.00 -0.94 0.00 0.00 39.48 38.34 3cab n PHE 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3cab n SER 57 N -0.58 -5.38 0.20 4.37 7.64 -0.78 -4.87 113.62 114.21 3cab n SER 57 Ca 0.26 0.32 0.12 0.00 1.01 0.00 0.00 58.87 60.58 3cab n SER 57 Cb 0.98 -4.52 0.17 0.00 -1.01 0.00 0.00 64.21 59.83 3cab n SER 57 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3cab h LEU 58 N 0.00 0.00 -8.13 -3.43 3.38 -1.25 -3.44 115.31 102.44 3cab h LEU 58 Ca -0.41 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.42 3cab h LEU 58 Cb 1.28 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.85 3cab h LEU 58 CO 0.56 0.00 -0.68 0.68 0.09 0.00 0.00 178.44 179.09 3cab s VAL 59 N -3.22 0.18 0.13 1.22 -7.23 -1.24 -1.30 120.40 108.95 3cab s VAL 59 Ca 0.07 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.81 3cab s VAL 59 Cb 0.06 -1.03 0.02 0.00 0.56 0.00 0.00 36.38 35.99 3cab s VAL 59 CO 0.68 -0.80 0.16 -0.90 -0.31 0.00 0.00 175.10 173.93 3cab n ASP 60 N 0.69 0.75 0.30 4.85 5.68 -0.92 -4.52 116.55 123.37 3cab n ASP 60 Ca -0.18 -1.38 0.17 0.00 -0.50 0.00 0.00 54.79 52.90 3cab n ASP 60 Cb 0.59 -0.07 0.91 0.00 -1.14 0.00 0.00 41.12 41.40 3cab n ASP 60 CO 0.00 0.00 0.00 -2.24 -1.33 0.00 0.00 177.20 173.63 3cab h ASP 61 N 0.06 0.00 0.00 -1.12 2.03 -2.01 -1.53 116.42 113.85 3cab h ASP 61 Ca -0.07 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.22 3cab h ASP 61 Cb 0.29 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.78 3cab h ASP 61 CO 0.10 0.00 -0.35 -0.62 -1.03 0.00 0.00 179.24 177.34 3cab n GLU 62 N -2.80 1.39 -2.48 4.15 1.02 -1.26 -4.96 120.64 115.69 3cab n GLU 62 Ca -0.02 -2.96 -0.21 0.00 -0.02 0.00 0.00 57.16 53.95 3cab n GLU 62 Cb 0.21 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3cab n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cab n ALA 63 N -1.14 -0.67 -2.24 0.62 0.00 -0.58 -4.85 120.51 111.65 3cab n ALA 63 Ca 0.17 0.19 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 3cab n ALA 63 Cb 0.69 -2.44 -0.04 0.00 0.00 0.00 0.00 19.45 17.66 3cab n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3cab s ASN 64 N -2.14 7.33 0.03 0.00 -0.87 -1.26 -4.70 114.94 113.32 3cab s ASN 64 Ca 0.04 1.94 -0.23 0.00 -1.57 0.00 0.00 52.86 53.04 3cab s ASN 64 Cb -0.02 -2.59 -0.06 0.00 -0.02 0.00 0.00 41.25 38.56 3cab s ASN 64 CO 0.05 -0.21 0.69 -0.69 -2.57 0.00 0.00 177.10 174.37 3cab s VAL 65 N 0.14 4.78 -0.59 1.60 1.01 -1.26 -2.17 120.40 123.91 3cab s VAL 65 Ca 0.50 1.46 -0.24 0.00 0.00 0.00 0.00 61.98 63.71 3cab s VAL 65 Cb -0.27 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.13 3cab s VAL 65 CO 0.32 0.40 0.96 -0.62 0.00 0.00 0.00 175.10 176.16 3cab s ASP 66 N -0.22 6.28 0.32 3.32 -1.08 -0.42 -4.92 116.67 119.95 3cab s ASP 66 Ca 0.35 -0.56 0.08 0.00 -0.52 0.00 0.00 52.55 51.90 3cab s ASP 66 Cb -0.20 -2.44 0.55 0.00 -1.46 0.00 0.00 42.92 39.38 3cab s ASP 66 CO 0.21 -1.32 1.76 -0.33 0.52 0.00 0.00 175.17 176.00 3cab h GLU 67 N 9.42 0.22 -0.25 4.34 5.08 -1.95 -1.53 114.58 129.91 3cab h GLU 67 Ca -0.27 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 57.82 3cab h GLU 67 Cb 1.07 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3cab h GLU 67 CO 1.12 0.54 -0.57 -0.44 -1.00 0.00 0.00 179.01 178.66 3cab h ASP 68 N 0.19 0.89 -0.35 1.42 3.32 -1.98 0.02 116.42 119.93 3cab h ASP 68 Ca 0.02 -0.49 -0.08 0.00 0.02 0.00 0.00 57.03 56.50 3cab h ASP 68 Cb 0.70 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 3cab h ASP 68 CO 0.05 1.27 -0.11 0.40 -1.72 0.00 0.00 179.24 179.13 3cab h ILE 69 N 0.60 1.28 -0.15 0.35 2.04 -1.89 0.25 117.51 119.99 3cab h ILE 69 Ca 0.01 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.71 3cab h ILE 69 Cb 1.17 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.54 3cab h ILE 69 CO 0.12 0.39 -0.07 -0.03 0.00 0.00 0.00 178.15 178.56 3cab h MET 70 N 0.48 -0.05 -0.46 2.37 4.05 -1.17 -1.15 114.93 119.00 3cab h MET 70 Ca 0.09 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.41 3cab h MET 70 Cb 0.63 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.42 3cab h MET 70 CO 0.04 -0.03 -0.10 -0.07 0.23 0.00 0.00 176.91 176.98 3cab h LEU 71 N -0.05 0.88 -2.48 3.39 3.38 -0.98 -2.77 115.31 116.68 3cab h LEU 71 Ca 0.08 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3cab h LEU 71 Cb 0.18 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3cab h LEU 71 CO -0.18 1.03 0.14 1.23 0.09 0.00 0.00 178.44 180.75 3cab h GLY 72 N 0.72 0.00 1.03 0.83 0.00 -0.09 -2.35 103.07 103.21 3cab h GLY 72 Ca 0.12 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.42 3cab h GLY 72 CO 0.04 0.00 -1.05 1.41 0.00 0.00 0.00 176.54 176.94 3cab h LEU 73 N 0.00 0.00-10.25 3.11 4.07 -0.92 -3.47 115.31 107.85 3cab h LEU 73 Ca 0.00 0.00 -0.49 0.00 0.08 0.00 0.00 57.88 57.47 3cab h LEU 73 Cb 0.28 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.04 3cab h LEU 73 CO 0.00 0.12 -0.02 -0.76 -1.08 0.00 0.00 178.44 176.69 3cab s LEU 74 N -5.47 3.82 0.59 1.67 1.43 -0.88 -5.04 118.68 114.79 3cab s LEU 74 Ca -0.01 0.75 -0.20 0.00 -1.03 0.00 0.00 54.13 53.64 3cab s LEU 74 Cb 0.09 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 3cab s LEU 74 CO 0.79 -0.43 1.30 -2.65 0.23 0.00 0.00 176.35 175.59 3cab n PRO 75 N -1.91 1.39 -0.34 1.29 -0.02 -1.26 -4.88 135.00 129.26 3cab n PRO 75 Ca -0.01 0.52 0.17 0.00 -2.02 0.00 0.00 63.50 62.16 3cab n PRO 75 Cb 0.55 -2.52 0.40 0.00 -0.02 0.00 0.00 33.50 31.91 3cab n PRO 75 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3cab h ASP 76 N 0.99 0.66 0.64 2.55 3.32 -1.96 -1.55 116.42 121.06 3cab h ASP 76 Ca -0.51 0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3cab h ASP 76 Cb 1.32 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3cab h ASP 76 CO 0.55 0.14 0.00 0.00 -1.72 0.00 0.00 179.24 178.21 3cab n GLN 77 N -4.80 0.29 0.00 3.56 10.64 -1.26 -2.27 117.38 123.53 3cab n GLN 77 Ca 0.26 0.02 0.10 0.00 -1.83 0.00 0.00 57.00 55.55 3cab n GLN 77 Cb 0.73 -1.50 0.01 0.00 -0.86 0.00 0.00 30.24 28.62 3cab n GLN 77 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3cab n LEU 78 N -1.34 2.04 -0.03 2.61 4.77 -0.59 -4.73 117.00 119.72 3cab n LEU 78 Ca 0.11 -0.80 -0.09 0.00 -0.03 0.00 0.00 56.01 55.21 3cab n LEU 78 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.31 3cab n LEU 78 CO 0.22 0.37 0.82 1.56 -1.33 0.00 0.00 177.39 179.04 3cab h GLN 79 N 2.54 -0.03 -0.16 3.23 1.08 -1.39 0.98 115.11 121.37 3cab h GLN 79 Ca 0.00 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.23 3cab h GLN 79 Cb 0.72 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 28.12 3cab h GLN 79 CO 0.00 -0.02 -0.04 1.49 -0.95 0.00 0.00 178.83 179.31 3cab h GLU 80 N -0.03 -0.00 -0.42 1.46 4.81 -1.85 0.10 114.58 118.65 3cab h GLU 80 Ca 0.09 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 3cab h GLU 80 Cb 0.17 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 3cab h GLU 80 CO -0.20 -0.00 -0.12 -0.09 -0.73 0.00 0.00 179.01 177.87 3cab h ARG 81 N -0.00 0.75 -0.51 1.92 2.43 -1.83 -2.47 114.38 114.67 3cab h ARG 81 Ca 0.08 -0.25 -0.07 0.00 -0.81 0.00 0.00 59.98 58.92 3cab h ARG 81 Cb 0.12 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3cab h ARG 81 CO -0.16 0.84 0.03 0.00 -1.51 0.00 0.00 179.97 179.16 3cab h ALA 82 N 1.19 0.69 -0.92 2.80 0.00 -0.29 -2.15 119.26 120.58 3cab h ALA 82 Ca 0.11 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3cab h ALA 82 Cb 0.59 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 3cab h ALA 82 CO 0.04 0.47 0.56 0.37 0.00 0.00 0.00 179.25 180.69 3cab h GLN 83 N 0.76 1.25 -0.41 0.00 4.15 -0.64 0.26 115.11 120.47 3cab h GLN 83 Ca 0.15 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3cab h GLN 83 Cb 0.48 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 3cab h GLN 83 CO 0.02 0.87 0.21 1.03 -1.93 0.00 0.00 178.83 179.03 3cab h SER 84 N 1.27 0.53 -0.73 -0.69 0.87 -1.25 -1.14 113.55 112.40 3cab h SER 84 Ca 0.33 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.79 3cab h SER 84 Cb -0.06 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 61.73 3cab h SER 84 CO -0.06 0.49 0.49 0.58 -0.53 0.00 0.00 176.83 177.79 3cab h VAL 85 N 0.53 1.19 -0.43 2.23 2.07 -0.79 -2.38 116.25 118.67 3cab h VAL 85 Ca 0.14 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.25 3cab h VAL 85 Cb 0.09 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 3cab h VAL 85 CO -0.02 0.18 -0.03 0.24 0.02 0.00 0.00 177.57 177.97 3cab h MET 86 N 0.99 0.71 -0.99 1.57 2.07 -0.75 0.23 114.93 118.77 3cab h MET 86 Ca 0.27 -0.19 0.11 0.00 -2.07 0.00 0.00 59.70 57.82 3cab h MET 86 Cb -0.11 -0.08 -0.08 0.00 -1.87 0.00 0.00 31.60 29.45 3cab h MET 86 CO -0.06 0.75 0.63 0.78 1.07 0.00 0.00 176.91 180.07 3cab h GLY 87 N 0.95 1.61 0.99 8.32 0.00 -0.77 0.94 103.07 115.12 3cab h GLY 87 Ca 0.13 -0.43 -0.24 0.00 0.00 0.00 0.00 47.33 46.79 3cab h GLY 87 CO 0.02 0.18 -1.01 1.70 0.00 0.00 0.00 176.54 177.44 3cab h LYS 88 N 1.01 0.49 0.00 4.80 3.64 -0.84 -3.39 116.57 122.27 3cab h LYS 88 Ca 0.48 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 3cab h LYS 88 Cb 0.44 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 3cab h LYS 88 CO -0.25 1.29 -1.05 0.00 -2.27 0.00 0.00 179.45 177.16 3cab s LEU 90 N -3.18 3.04 0.78 0.00 1.43 0.31 -4.28 118.68 116.78 3cab s LEU 90 Ca 0.07 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.54 3cab s LEU 90 Cb 0.16 -1.74 0.06 0.00 0.03 0.00 0.00 46.19 44.71 3cab s LEU 90 CO 0.86 0.11 1.09 -2.16 0.23 0.00 0.00 176.35 176.48 3cab s PRO 91 N -2.75 2.17 0.80 1.29 0.04 -1.26 -4.78 135.00 130.51 3cab s PRO 91 Ca 0.25 1.15 -0.11 0.00 0.04 0.00 0.00 61.00 62.32 3cab s PRO 91 Cb -0.09 -1.89 0.08 0.00 0.04 0.00 0.00 34.50 32.64 3cab s PRO 91 CO 0.15 -1.70 1.12 0.95 0.04 0.00 0.00 177.00 177.56 3cab s THR 92 N -2.90 2.87 0.01 1.26 -4.23 -1.26 -5.07 115.64 106.32 3cab s THR 92 Ca 0.61 0.30 -0.26 0.00 -1.18 0.00 0.00 61.69 61.17 3cab s THR 92 Cb -0.17 -2.66 0.06 0.00 1.34 0.00 0.00 72.50 71.06 3cab s THR 92 CO 0.56 -0.35 0.58 -0.94 -0.54 0.00 0.00 174.62 173.94 3cab s SER 93 N -3.00 -0.53 0.00 3.99 1.04 -1.26 -5.05 113.70 108.89 3cab s SER 93 Ca 0.64 0.39 0.00 0.00 0.48 0.00 0.00 55.95 57.46 3cab s SER 93 Cb -0.20 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3cab s SER 93 CO 0.54 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.69 3cab n GLY 94 N 0.60 -1.05 0.09 7.32 0.00 -1.26 -4.09 105.19 106.80 3cab n GLY 94 Ca -0.19 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.36 3cab n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cab h SER 95 N 0.00 0.00 -5.55 1.61 4.64 -1.99 -3.45 113.55 108.81 3cab h SER 95 Ca 0.00 -0.14 0.24 0.00 -0.47 0.00 0.00 61.79 61.41 3cab h SER 95 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3cab h SER 95 CO 0.00 0.07 0.67 1.51 -0.87 0.00 0.00 176.83 178.21 3cab s ASP 96 N -4.64 -0.06 0.23 4.97 1.47 -1.26 -5.01 116.67 112.36 3cab s ASP 96 Ca 0.05 -0.40 -0.07 0.00 1.18 0.00 0.00 52.55 53.31 3cab s ASP 96 Cb 0.12 0.36 0.35 0.00 -0.34 0.00 0.00 42.92 43.40 3cab s ASP 96 CO 0.73 -0.68 1.77 0.78 0.68 0.00 0.00 175.17 178.45 3cab h ASN 97 N 2.00 0.44 -0.30 2.11 2.35 -1.92 0.79 115.58 121.05 3cab h ASN 97 Ca -0.27 0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.46 3cab h ASN 97 Cb 1.21 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 3cab h ASN 97 CO 0.31 0.25 -0.17 0.00 -1.65 0.00 0.00 177.43 176.17 3cab h ASN 99 N 0.39 0.27 -0.62 0.00 -1.24 -1.80 -0.19 115.58 112.39 3cab h ASN 99 Ca 0.06 -0.11 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 3cab h ASN 99 Cb 0.70 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 39.64 3cab h ASN 99 CO 0.05 0.64 0.29 0.11 -1.29 0.00 0.00 177.43 177.23 3cab h LYS 100 N 0.22 0.89 -0.12 6.67 1.57 -0.76 -0.98 116.57 124.06 3cab h LYS 100 Ca 0.02 -0.13 -0.20 0.00 -1.87 0.00 0.00 60.65 58.47 3cab h LYS 100 Cb 0.79 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3cab h LYS 100 CO 0.06 0.72 -0.74 0.82 -0.57 0.00 0.00 179.45 179.74 3cab h ILE 101 N 0.85 1.33 -0.44 1.86 1.08 -1.15 -1.74 117.51 119.30 3cab h ILE 101 Ca 0.21 -2.04 0.09 0.00 -0.39 0.00 0.00 64.86 62.73 3cab h ILE 101 Cb 0.12 2.03 -0.09 0.00 -3.07 0.00 0.00 36.82 35.81 3cab h ILE 101 CO -0.03 0.63 -0.21 0.22 -0.69 0.00 0.00 178.15 178.07 3cab h TYR 102 N 0.41 -0.53 -0.31 1.37 3.20 -0.86 0.15 116.97 120.40 3cab h TYR 102 Ca -0.04 0.05 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 3cab h TYR 102 Cb 1.34 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.89 3cab h TYR 102 CO 0.06 -0.29 -0.14 -0.91 -1.64 0.00 0.00 178.16 175.24 3cab h ASN 103 N -0.12 0.53 -0.20 -2.11 -0.26 -1.03 -1.23 115.58 111.15 3cab h ASN 103 Ca 0.21 -0.14 -0.07 0.00 -0.56 0.00 0.00 56.30 55.74 3cab h ASN 103 Cb 0.45 -0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 37.56 3cab h ASN 103 CO -0.52 0.69 -0.14 0.25 -1.06 0.00 0.00 177.43 176.65 3cab h LEU 104 N 0.50 0.47 -0.45 1.61 5.85 -0.78 -1.63 115.31 120.87 3cab h LEU 104 Ca 0.09 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.40 3cab h LEU 104 Cb 0.53 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 3cab h LEU 104 CO 0.03 0.81 0.23 0.00 -0.34 0.00 0.00 178.44 179.18 3cab h ALA 105 N 0.67 0.57 -0.28 1.25 0.00 -0.53 -0.07 119.26 120.86 3cab h ALA 105 Ca 0.04 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3cab h ALA 105 Cb 0.66 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3cab h ALA 105 CO 0.04 -0.11 0.15 0.87 0.00 0.00 0.00 179.25 180.20 3cab h LYS 106 N 0.46 0.38 -0.64 0.00 1.79 -1.15 -0.73 116.57 116.68 3cab h LYS 106 Ca 0.19 -0.04 0.02 0.00 -2.18 0.00 0.00 60.65 58.64 3cab h LYS 106 Cb 0.09 -0.08 -0.04 0.00 -1.58 0.00 0.00 32.23 30.62 3cab h LYS 106 CO -0.13 0.33 0.40 0.00 -1.08 0.00 0.00 179.45 178.98 3cab h VAL 108 N 0.80 1.31 -0.34 0.00 2.07 -0.85 -2.67 116.25 116.57 3cab h VAL 108 Ca 0.25 -1.51 -0.09 0.00 0.82 0.00 0.00 66.70 66.17 3cab h VAL 108 Cb -0.01 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.42 3cab h VAL 108 CO -0.09 0.48 -0.17 1.56 0.02 0.00 0.00 177.57 179.36 3cab h GLN 109 N 0.39 0.62 0.00 1.57 4.20 -0.97 1.20 115.11 122.12 3cab h GLN 109 Ca 0.03 -0.22 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3cab h GLN 109 Cb 0.90 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.63 3cab h GLN 109 CO 0.08 0.77 0.00 0.93 -0.67 0.00 0.00 178.83 179.93 3cab h GLU 110 N 0.56 0.00 0.00 1.46 5.08 -1.10 -3.30 114.58 117.28 3cab h GLU 110 Ca 0.09 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.21 3cab h GLU 110 Cb 0.62 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 3cab h GLU 110 CO 0.04 0.00 -1.91 0.43 -1.00 0.00 0.00 179.01 176.57 3cab n SER 111 N -3.05 2.69 -3.01 1.42 7.64 -0.87 -4.95 113.62 113.50 3cab n SER 111 Ca 0.01 -0.08 0.02 0.00 1.01 0.00 0.00 58.87 59.83 3cab n SER 111 Cb 0.33 -0.17 -0.00 0.00 -1.01 0.00 0.00 64.21 63.36 3cab n SER 111 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cab s ALA 112 N -2.32 -3.53 0.31 -0.43 0.00 0.41 -5.05 121.76 111.15 3cab s ALA 112 Ca -0.20 0.94 0.06 0.00 0.00 0.00 0.00 51.96 52.76 3cab s ALA 112 Cb 0.05 -2.85 0.74 0.00 0.00 0.00 0.00 23.12 21.06 3cab s ALA 112 CO 0.38 -2.28 1.80 -1.35 0.00 0.00 0.00 175.76 174.31 3cab h PRO 113 N 6.46 0.75 0.00 0.00 0.11 -1.63 -1.06 132.00 136.64 3cab h PRO 113 Ca -0.02 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3cab h PRO 113 Cb 1.20 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3cab h PRO 113 CO -0.00 0.50 0.00 -0.44 -0.21 0.00 0.00 178.00 177.85 3cab h ASP 114 N 0.78 0.00 0.45 -2.05 3.32 -1.93 0.14 116.42 117.12 3cab h ASP 114 Ca 0.55 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.40 3cab h ASP 114 Cb 0.84 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 3cab h ASP 114 CO -0.33 0.00 -0.83 0.58 -1.72 0.00 0.00 179.24 176.94 3cab h VAL 115 N 0.00 1.44 -3.07 -1.35 2.07 -1.53 -3.45 116.25 110.36 3cab h VAL 115 Ca 0.00 -2.41 -0.57 0.00 0.82 0.00 0.00 66.70 64.54 3cab h VAL 115 Cb 0.10 2.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.16 3cab h VAL 115 CO 0.00 0.71 1.04 0.86 0.02 0.00 0.00 177.57 180.20 3cab s TRP 116 N -3.37 2.46 -0.47 1.57 -0.00 0.48 -4.96 118.94 114.66 3cab s TRP 116 Ca -0.04 0.74 -0.15 0.00 -0.00 0.00 0.00 56.10 56.66 3cab s TRP 116 Cb 0.10 -4.02 0.08 0.00 -0.00 0.00 0.00 33.47 29.63 3cab s TRP 116 CO 0.83 -2.10 0.38 0.12 -0.00 0.00 0.00 176.95 176.19 3cab s PHE 117 N 4.87 3.26 -0.19 5.86 5.99 -1.26 -5.00 117.98 131.51 3cab s PHE 117 Ca 0.62 -1.03 -0.04 0.00 0.00 0.00 0.00 56.93 56.48 3cab s PHE 117 Cb -0.18 -3.17 0.09 0.00 0.00 0.00 0.00 43.02 39.76 3cab s PHE 117 CO 0.27 -0.81 0.24 0.08 -0.00 0.00 0.00 175.22 174.99 3cab s VAL 118 N 1.61 -0.36 -1.80 3.12 1.01 -1.26 -4.99 120.40 117.73 3cab s VAL 118 Ca 0.04 -0.01 0.14 0.00 0.00 0.00 0.00 61.98 62.16 3cab s VAL 118 Cb -0.24 -0.62 0.11 0.00 0.00 0.00 0.00 36.38 35.63 3cab s VAL 118 CO 0.06 -0.11 0.96 -0.38 0.00 0.00 0.00 175.10 175.62