#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2byc h MET 1 N 0.00 0.00 0.00 -4.13 2.86 -2.00 -3.29 114.93 108.37 2byc h MET 1 Ca 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2byc h MET 1 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2byc h MET 1 CO 0.00 0.00 -1.96 -0.25 1.06 0.00 0.00 176.91 175.76 2byc n ASP 2 N -2.57 0.76 -4.58 1.22 10.43 -1.26 -1.68 116.55 118.88 2byc n ASP 2 Ca 0.04 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 57.00 2byc n ASP 2 Cb 0.40 1.53 0.02 0.00 1.84 0.00 0.00 41.12 44.91 2byc n ASP 2 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 2byc n GLU 3 N -2.31 1.10 -2.70 -1.24 0.00 -1.24 -4.20 120.64 110.04 2byc n GLU 3 Ca -0.12 0.40 -0.42 0.00 0.00 0.00 0.00 57.16 57.02 2byc n GLU 3 Cb 0.68 -1.98 -0.03 0.00 0.00 0.00 0.00 31.44 30.11 2byc n GLU 3 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 2byc s LEU 4 N -0.46 4.39 0.27 4.31 2.96 -1.26 -0.44 118.68 128.45 2byc s LEU 4 Ca 0.66 1.70 0.08 0.00 -0.22 0.00 0.00 54.13 56.34 2byc s LEU 4 Cb -0.52 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.54 2byc s LEU 4 CO 0.55 -0.23 -0.09 0.68 -1.32 0.00 0.00 176.35 175.93 2byc s VAL 5 N 0.83 1.79 -0.12 1.68 -7.23 -0.12 -0.71 120.40 116.52 2byc s VAL 5 Ca 0.51 -2.18 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2byc s VAL 5 Cb -0.22 -2.36 0.01 0.00 0.56 0.00 0.00 36.38 34.37 2byc s VAL 5 CO 0.28 -0.37 -0.18 -0.44 -0.31 0.00 0.00 175.10 174.09 2byc s SER 6 N -3.43 2.72 -0.05 4.85 0.01 0.33 -1.86 113.70 116.26 2byc s SER 6 Ca 0.28 -0.50 0.03 0.00 1.31 0.00 0.00 55.95 57.08 2byc s SER 6 Cb 0.02 -1.24 -0.03 0.00 0.21 0.00 0.00 66.02 64.99 2byc s SER 6 CO 0.11 0.04 -0.14 -0.22 0.41 0.00 0.00 173.24 173.45 2byc s LEU 7 N 0.91 2.74 -0.04 2.44 0.20 0.07 -0.98 118.68 124.02 2byc s LEU 7 Ca -0.07 -0.20 0.03 0.00 0.69 0.00 0.00 54.13 54.58 2byc s LEU 7 Cb -0.15 -1.56 0.01 0.00 -0.43 0.00 0.00 46.19 44.06 2byc s LEU 7 CO -0.02 0.34 -0.11 -0.89 -0.29 0.00 0.00 176.35 175.39 2byc s THR 8 N -0.69 0.97 0.14 3.68 2.01 -0.67 -1.07 115.64 120.01 2byc s THR 8 Ca 0.11 -0.43 0.03 0.00 0.31 0.00 0.00 61.69 61.71 2byc s THR 8 Cb -0.11 -0.88 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 2byc s THR 8 CO 0.01 0.31 -0.07 -0.72 -0.69 0.00 0.00 174.62 173.45 2byc s TYR 9 N 0.39 1.13 -0.01 4.92 -0.85 -0.61 0.05 117.35 122.37 2byc s TYR 9 Ca -0.08 -0.86 0.07 0.00 -0.52 0.00 0.00 57.07 55.68 2byc s TYR 9 Cb -0.12 -0.62 -0.02 0.00 0.38 0.00 0.00 41.96 41.59 2byc s TYR 9 CO 0.02 -0.05 -0.23 0.50 -1.52 0.00 0.00 175.55 174.27 2byc s ARG 10 N -3.81 1.80 0.08 -3.49 3.52 -0.42 -1.45 118.95 115.18 2byc s ARG 10 Ca 0.17 -0.83 -0.02 0.00 -0.13 0.00 0.00 55.73 54.92 2byc s ARG 10 Cb 0.04 -1.76 -0.04 0.00 -1.56 0.00 0.00 34.95 31.63 2byc s ARG 10 CO -0.00 0.48 0.02 -1.54 -0.81 0.00 0.00 175.30 173.45 2byc s SER 11 N -0.59 0.39 -0.06 -2.12 1.04 0.07 -0.98 113.70 111.44 2byc s SER 11 Ca 0.09 -1.03 -0.22 0.00 0.48 0.00 0.00 55.95 55.27 2byc s SER 11 Cb -0.09 0.25 -0.04 0.00 0.10 0.00 0.00 66.02 66.24 2byc s SER 11 CO -0.01 -0.66 0.65 -0.13 0.98 0.00 0.00 173.24 174.07 2byc s ARG 12 N -3.95 4.40 0.30 4.02 1.81 0.15 -0.44 118.95 125.23 2byc s ARG 12 Ca 0.12 0.79 -0.30 0.00 -1.72 0.00 0.00 55.73 54.63 2byc s ARG 12 Cb 0.07 -3.42 -0.12 0.00 -0.45 0.00 0.00 34.95 31.03 2byc s ARG 12 CO -0.06 0.14 1.56 0.28 -0.68 0.00 0.00 175.30 176.54 2byc n VAL 13 N 3.53 1.17 -3.19 3.52 0.31 -0.07 -0.05 118.33 123.55 2byc n VAL 13 Ca -0.03 -0.29 -0.22 0.00 -0.01 0.00 0.00 64.34 63.79 2byc n VAL 13 Cb 0.51 -1.91 -0.06 0.00 -0.91 0.00 0.00 33.84 31.48 2byc n VAL 13 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2byc n ARG 14 N 1.87 0.81 -3.87 5.55 0.63 0.13 -4.76 116.66 117.03 2byc n ARG 14 Ca 0.08 -3.29 -0.36 0.00 -0.92 0.00 0.00 57.85 53.37 2byc n ARG 14 Cb 0.36 -1.39 -0.11 0.00 0.45 0.00 0.00 32.46 31.78 2byc n ARG 14 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2byc s LEU 15 N -1.62 3.71 0.18 6.15 1.43 -1.26 -4.30 118.68 122.99 2byc s LEU 15 Ca 0.37 -0.03 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 2byc s LEU 15 Cb 0.23 -1.97 0.09 0.00 0.03 0.00 0.00 46.19 44.57 2byc s LEU 15 CO -0.10 0.07 1.52 0.00 0.23 0.00 0.00 176.35 178.07 2byc h ALA 16 N 7.46 0.70 -1.78 4.21 0.00 -1.98 -3.40 119.26 124.46 2byc h ALA 16 Ca -0.37 -0.47 -0.22 0.00 0.00 0.00 0.00 54.91 53.86 2byc h ALA 16 Cb 1.17 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 18.57 2byc h ALA 16 CO 0.64 0.67 -0.56 0.34 0.00 0.00 0.00 179.25 180.34 2byc s ASP 17 N -6.88 0.62 0.20 0.00 -1.08 -1.26 -5.07 116.67 103.20 2byc s ASP 17 Ca -0.09 -0.47 -0.17 0.00 -0.52 0.00 0.00 52.55 51.30 2byc s ASP 17 Cb 0.12 1.00 0.18 0.00 -1.46 0.00 0.00 42.92 42.76 2byc s ASP 17 CO 0.85 -0.36 1.60 -0.65 0.52 0.00 0.00 175.17 177.13 2byc h PRO 18 N 8.17 -0.10 -0.30 4.34 0.11 -1.98 0.15 132.00 142.39 2byc h PRO 18 Ca -0.09 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2byc h PRO 18 Cb 1.11 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2byc h PRO 18 CO 0.28 -0.06 0.19 -0.39 -0.21 0.00 0.00 178.00 177.80 2byc h VAL 19 N -0.10 1.09 -0.14 3.15 -1.51 -1.98 0.21 116.25 116.97 2byc h VAL 19 Ca 0.27 -0.20 -0.18 0.00 -1.23 0.00 0.00 66.70 65.36 2byc h VAL 19 Cb 0.53 0.68 -0.00 0.00 -2.13 0.00 0.00 31.29 30.37 2byc h VAL 19 CO -0.69 0.09 -0.66 0.00 -1.23 0.00 0.00 177.57 175.08 2byc h ALA 20 N 1.09 0.59 -0.11 5.19 0.00 -1.79 -0.42 119.26 123.81 2byc h ALA 20 Ca 0.11 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2byc h ALA 20 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2byc h ALA 20 CO -0.02 0.72 -0.24 -0.44 0.00 0.00 0.00 179.25 179.26 2byc h ASP 21 N 0.39 0.40 -0.11 0.00 3.32 -0.58 -2.65 116.42 117.20 2byc h ASP 21 Ca -0.02 -0.57 -0.09 0.00 0.02 0.00 0.00 57.03 56.37 2byc h ASP 21 Cb 1.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2byc h ASP 21 CO 0.12 0.90 -0.20 0.40 -1.72 0.00 0.00 179.24 178.74 2byc h ILE 22 N -0.08 1.25 -0.59 0.35 2.04 -0.41 -1.91 117.51 118.16 2byc h ILE 22 Ca 0.00 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.70 2byc h ILE 22 Cb 0.84 1.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 2byc h ILE 22 CO 0.05 0.38 0.35 0.58 0.00 0.00 0.00 178.15 179.52 2byc h VAL 23 N 0.47 1.04 -0.38 1.67 2.07 -1.09 0.59 116.25 120.62 2byc h VAL 23 Ca 0.08 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.26 2byc h VAL 23 Cb 0.61 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 2byc h VAL 23 CO 0.04 0.12 -0.18 1.56 0.02 0.00 0.00 177.57 179.13 2byc h GLN 24 N 0.68 0.72 -0.64 1.57 4.20 -1.29 -0.77 115.11 119.59 2byc h GLN 24 Ca 0.24 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 2byc h GLN 24 Cb 0.06 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 2byc h GLN 24 CO -0.12 0.86 0.12 0.82 -0.67 0.00 0.00 178.83 179.84 2byc h ILE 25 N 0.64 1.26 -0.04 2.54 2.04 -0.97 -1.38 117.51 121.60 2byc h ILE 25 Ca 0.10 -0.99 -0.17 0.00 1.00 0.00 0.00 64.86 64.79 2byc h ILE 25 Cb 0.67 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 2byc h ILE 25 CO 0.05 0.37 -0.73 0.24 0.00 0.00 0.00 178.15 178.08 2byc h MET 26 N 0.97 0.23 0.17 2.37 2.86 -0.56 -1.90 114.93 119.07 2byc h MET 26 Ca 0.20 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2byc h MET 26 Cb 0.41 0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2byc h MET 26 CO 0.01 0.86 -0.08 -0.09 1.06 0.00 0.00 176.91 178.67 2byc h ARG 27 N 0.15 -0.22 -0.59 1.72 2.43 -1.04 -1.41 114.38 115.42 2byc h ARG 27 Ca -0.02 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.27 2byc h ARG 27 Cb 1.29 0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.81 2byc h ARG 27 CO 0.11 0.07 0.13 0.00 -1.51 0.00 0.00 179.97 178.78 2byc h ALA 28 N 0.25 0.70 0.04 2.80 0.00 -1.25 -3.10 119.26 118.70 2byc h ALA 28 Ca -0.02 0.12 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 2byc h ALA 28 Cb 0.39 0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.35 2byc h ALA 28 CO 0.04 -0.29 -1.05 0.66 0.00 0.00 0.00 179.25 178.61 2byc h SER 29 N 0.27 0.59 -0.90 0.00 4.64 -1.30 -2.59 113.55 114.26 2byc h SER 29 Ca 0.31 -0.51 0.05 0.00 -0.47 0.00 0.00 61.79 61.17 2byc h SER 29 Cb 0.44 -0.18 -0.06 0.00 -0.31 0.00 0.00 62.40 62.29 2byc h SER 29 CO -0.38 1.33 0.57 -0.09 -0.87 0.00 0.00 176.83 177.39 2byc h ARG 30 N 0.22 1.04 0.02 4.77 2.43 -1.18 0.25 114.38 121.94 2byc h ARG 30 Ca -0.11 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 58.94 2byc h ARG 30 Cb 1.70 -0.24 0.01 0.00 -0.42 0.00 0.00 29.97 31.02 2byc h ARG 30 CO 0.18 0.69 -0.25 0.28 -1.51 0.00 0.00 179.97 179.36 2byc h VAL 31 N 1.08 1.62 0.14 0.20 2.07 -1.52 -2.99 116.25 116.84 2byc h VAL 31 Ca 0.38 -2.15 0.01 0.00 0.82 0.00 0.00 66.70 65.76 2byc h VAL 31 Cb 0.10 3.03 -0.02 0.00 -1.52 0.00 0.00 31.29 32.87 2byc h VAL 31 CO -0.15 0.58 -0.20 -0.09 0.02 0.00 0.00 177.57 177.73 2byc h ARG 32 N -0.65 -0.38 -0.91 1.57 9.65 -1.41 -2.27 114.38 119.99 2byc h ARG 32 Ca -0.04 0.03 0.02 0.00 -1.10 0.00 0.00 59.98 58.89 2byc h ARG 32 Cb 1.09 0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 29.71 2byc h ARG 32 CO 0.05 -0.25 0.60 -0.91 2.80 0.00 0.00 179.97 182.25 2byc h ASN 33 N -0.40 1.02 -0.70 -3.80 4.21 -0.64 0.89 115.58 116.17 2byc h ASN 33 Ca 0.02 -0.02 0.07 0.00 1.21 0.00 0.00 56.30 57.58 2byc h ASN 33 Cb 0.40 -0.25 -0.06 0.00 -1.12 0.00 0.00 38.32 37.30 2byc h ASN 33 CO -0.09 0.72 0.38 0.25 -1.29 0.00 0.00 177.43 177.40 2byc h LEU 34 N 1.20 0.56 -0.20 1.61 7.12 -1.36 0.19 115.31 124.43 2byc h LEU 34 Ca 0.34 0.04 -0.09 0.00 0.13 0.00 0.00 57.88 58.30 2byc h LEU 34 Cb -0.09 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 39.97 2byc h LEU 34 CO -0.09 0.35 -0.23 -0.09 -0.13 0.00 0.00 178.44 178.25 2byc h ARG 35 N 0.69 0.51 0.00 1.25 2.43 -0.75 -3.11 114.38 115.41 2byc h ARG 35 Ca 0.32 -0.28 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2byc h ARG 35 Cb 0.23 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2byc h ARG 35 CO -0.20 0.87 0.00 -0.07 -1.51 0.00 0.00 179.97 179.06 2byc h LEU 36 N 0.18 0.00 0.00 3.80 3.38 -0.40 -3.46 115.31 118.81 2byc h LEU 36 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2byc h LEU 36 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2byc h LEU 36 CO 0.06 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.20 2byc n GLY 37 N 0.67 0.50 3.85 0.83 0.00 0.09 -4.78 105.19 106.35 2byc n GLY 37 Ca 0.04 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 2byc n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2byc s ILE 38 N -2.00 4.89 0.07 -0.61 -1.09 0.44 -4.45 121.20 118.45 2byc s ILE 38 Ca 0.00 0.76 0.01 0.00 -2.23 0.00 0.00 60.65 59.19 2byc s ILE 38 Cb 0.00 -3.72 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 2byc s ILE 38 CO 0.00 0.23 -0.05 0.42 -1.23 0.00 0.00 174.94 174.31 2byc s THR 39 N -1.48 0.48 -4.78 2.92 -4.23 -0.57 -4.37 115.64 103.62 2byc s THR 39 Ca 0.38 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2byc s THR 39 Cb -0.15 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 72.19 2byc s THR 39 CO 0.19 -0.88 0.00 0.61 -0.54 0.00 0.00 174.62 174.00 2byc n GLY 40 N 0.16 -1.04 2.96 3.99 0.00 0.30 -0.20 105.19 111.35 2byc n GLY 40 Ca -0.14 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 2byc n GLY 40 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2byc s ILE 41 N -3.00 0.11 -0.13 -0.61 -4.36 -0.49 -1.24 121.20 111.48 2byc s ILE 41 Ca 0.00 -0.70 0.02 0.00 -0.26 0.00 0.00 60.65 59.71 2byc s ILE 41 Cb 0.00 -0.22 0.01 0.00 1.25 0.00 0.00 42.46 43.50 2byc s ILE 41 CO 0.00 -0.37 -0.19 -0.22 0.24 0.00 0.00 174.94 174.40 2byc s LEU 42 N -1.12 1.91 -0.13 0.37 2.96 0.17 -1.22 118.68 121.63 2byc s LEU 42 Ca -0.12 -0.52 -0.05 0.00 -0.22 0.00 0.00 54.13 53.22 2byc s LEU 42 Cb -0.08 -1.27 -0.04 0.00 0.50 0.00 0.00 46.19 45.31 2byc s LEU 42 CO -0.01 0.04 0.05 -0.76 -1.32 0.00 0.00 176.35 174.36 2byc s LEU 43 N 0.92 3.82 -0.05 -0.68 1.02 0.15 0.37 118.68 124.23 2byc s LEU 43 Ca -0.06 0.18 -0.00 0.00 0.02 0.00 0.00 54.13 54.27 2byc s LEU 43 Cb -0.15 -1.92 0.03 0.00 0.02 0.00 0.00 46.19 44.17 2byc s LEU 43 CO -0.02 0.31 0.00 -0.47 0.02 0.00 0.00 176.35 176.19 2byc s TYR 44 N -0.47 0.47 0.00 0.29 5.04 -0.45 -1.38 117.35 120.86 2byc s TYR 44 Ca 0.10 -0.05 0.00 0.00 -2.44 0.00 0.00 57.07 54.67 2byc s TYR 44 Cb -0.12 -0.60 0.00 0.00 0.35 0.00 0.00 41.96 41.59 2byc s TYR 44 CO 0.02 -0.22 0.88 0.27 -1.34 0.00 0.00 175.55 175.16 2byc n ASN 45 N 4.64 1.63 0.00 4.32 2.04 -1.18 -1.90 115.26 124.81 2byc n ASN 45 Ca -0.16 -1.77 0.00 0.00 -0.44 0.00 0.00 54.58 52.20 2byc n ASN 45 Cb 0.50 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.75 2byc n ASN 45 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2byc n GLY 46 N -0.39 2.00 0.00 4.83 0.00 -1.26 -4.83 105.19 105.55 2byc n GLY 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2byc n GLY 46 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2byc n VAL 47 N -2.00 0.00 -4.18 1.61 0.31 -1.26 -4.90 118.33 107.91 2byc n VAL 47 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 2byc n VAL 47 Cb 0.00 -0.45 -0.12 0.00 -0.91 0.00 0.00 33.84 32.36 2byc n VAL 47 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 2byc s HIS 48 N -1.74 1.20 0.02 3.52 3.76 -1.26 -0.89 115.29 119.90 2byc s HIS 48 Ca 0.00 -0.51 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 2byc s HIS 48 Cb 0.00 -0.66 -0.04 0.00 1.11 0.00 0.00 32.58 32.99 2byc s HIS 48 CO 0.00 0.06 -0.01 -0.06 -0.85 0.00 0.00 174.74 173.87 2byc s PHE 49 N -1.65 3.02 -0.14 1.40 2.99 0.41 -3.11 117.98 120.90 2byc s PHE 49 Ca 0.01 0.03 0.01 0.00 0.00 0.00 0.00 56.93 56.98 2byc s PHE 49 Cb -0.08 -1.63 0.02 0.00 0.00 0.00 0.00 43.02 41.33 2byc s PHE 49 CO 0.02 0.45 -0.18 0.08 -0.00 0.00 0.00 175.22 175.59 2byc s VAL 50 N -1.12 1.79 -0.06 -0.44 1.01 -0.48 -0.75 120.40 120.34 2byc s VAL 50 Ca 0.20 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.45 2byc s VAL 50 Cb -0.11 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2byc s VAL 50 CO 0.11 0.50 -0.24 -1.58 0.00 0.00 0.00 175.10 173.89 2byc s GLN 51 N 1.14 2.55 -0.16 2.72 0.74 -0.53 0.32 119.66 126.44 2byc s GLN 51 Ca -0.01 -0.86 0.00 0.00 0.05 0.00 0.00 55.36 54.54 2byc s GLN 51 Cb -0.14 -2.11 0.00 0.00 1.10 0.00 0.00 33.01 31.86 2byc s GLN 51 CO -0.07 0.33 -0.16 0.99 -0.55 0.00 0.00 175.29 175.83 2byc s THR 52 N -0.04 2.57 0.02 -0.34 2.01 -0.36 -1.57 115.64 117.93 2byc s THR 52 Ca -0.06 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.20 2byc s THR 52 Cb -0.14 -2.09 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 2byc s THR 52 CO 0.04 0.52 -0.18 0.27 -0.69 0.00 0.00 174.62 174.58 2byc s ILE 53 N 0.90 1.46 0.01 1.82 -4.36 -0.23 -1.40 121.20 119.41 2byc s ILE 53 Ca -0.04 -0.98 0.01 0.00 -0.26 0.00 0.00 60.65 59.38 2byc s ILE 53 Cb -0.15 -1.26 -0.01 0.00 1.25 0.00 0.00 42.46 42.29 2byc s ILE 53 CO -0.02 0.25 -0.03 -1.83 0.24 0.00 0.00 174.94 173.55 2byc s GLU 54 N -0.86 0.25 0.00 0.37 -1.05 0.72 -0.75 118.70 117.38 2byc s GLU 54 Ca 0.06 -0.29 0.00 0.00 -0.15 0.00 0.00 54.97 54.59 2byc s GLU 54 Cb -0.08 -0.11 0.00 0.00 -0.44 0.00 0.00 34.13 33.50 2byc s GLU 54 CO 0.01 0.02 0.00 0.41 0.95 0.00 0.00 175.26 176.65 2byc n GLY 55 N 2.48 -1.39 3.61 -3.83 0.00 -0.78 -1.50 105.19 103.78 2byc n GLY 55 Ca -0.16 -1.16 -0.46 0.00 0.00 0.00 0.00 46.02 44.23 2byc n GLY 55 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2byc n PRO 56 N -0.02 1.49 -0.28 1.61 -0.02 -1.26 -0.95 135.00 135.57 2byc n PRO 56 Ca 0.00 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 62.10 2byc n PRO 56 Cb 0.00 -2.03 0.24 0.00 -0.02 0.00 0.00 33.50 31.69 2byc n PRO 56 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2byc h ARG 57 N 3.09 0.35 -0.35 -0.52 2.43 -0.71 0.20 114.38 118.86 2byc h ARG 57 Ca -0.43 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.60 2byc h ARG 57 Cb 1.32 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 2byc h ARG 57 CO 0.68 0.23 -0.27 0.66 -1.51 0.00 0.00 179.97 179.76 2byc h SER 58 N 0.36 0.75 -0.23 -3.80 4.64 -1.62 -0.79 113.55 112.85 2byc h SER 58 Ca 0.48 -0.28 -0.17 0.00 -0.47 0.00 0.00 61.79 61.35 2byc h SER 58 Cb 0.86 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.74 2byc h SER 58 CO -0.51 0.98 -0.48 0.00 -0.87 0.00 0.00 176.83 175.95 2byc h ALA 59 N 1.07 0.58 -0.38 5.18 0.00 -0.98 -2.10 119.26 122.65 2byc h ALA 59 Ca 0.08 -0.49 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 2byc h ALA 59 Cb 0.78 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2byc h ALA 59 CO 0.06 0.68 0.13 0.00 0.00 0.00 0.00 179.25 180.12 2byc h ASP 61 N 0.46 -0.46 -0.36 0.00 3.58 -1.11 0.10 116.42 118.63 2byc h ASP 61 Ca 0.12 0.15 0.01 0.00 0.42 0.00 0.00 57.03 57.73 2byc h ASP 61 Cb 0.22 0.31 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 2byc h ASP 61 CO -0.01 -0.16 0.23 -0.08 -2.88 0.00 0.00 179.24 176.34 2byc h GLU 62 N 0.01 0.46 -0.15 0.28 4.81 -1.26 -1.99 114.58 116.74 2byc h GLU 62 Ca 0.25 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2byc h GLU 62 Cb 0.39 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 2byc h GLU 62 CO -0.53 0.30 -0.05 1.25 -0.73 0.00 0.00 179.01 179.25 2byc h LEU 63 N 0.47 0.30 -1.64 1.64 5.85 -1.03 -2.18 115.31 118.72 2byc h LEU 63 Ca 0.13 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.45 2byc h LEU 63 Cb -0.04 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 2byc h LEU 63 CO -0.04 0.63 0.05 0.15 -0.34 0.00 0.00 178.44 178.89 2byc h PHE 64 N -0.02 0.27 -0.26 1.25 3.57 -0.71 0.41 116.94 121.45 2byc h PHE 64 Ca 0.04 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2byc h PHE 64 Cb 0.51 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2byc h PHE 64 CO 0.06 0.25 0.14 0.00 -2.23 0.00 0.00 178.31 176.53 2byc h ARG 65 N 0.28 0.37 -0.09 1.11 2.47 -0.77 0.26 114.38 118.00 2byc h ARG 65 Ca 0.07 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 2byc h ARG 65 Cb 0.11 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2byc h ARG 65 CO -0.00 0.33 0.02 -0.07 0.56 0.00 0.00 179.97 180.80 2byc h LEU 66 N 0.31 0.14 -1.14 3.04 3.38 -0.61 -2.81 115.31 117.62 2byc h LEU 66 Ca 0.09 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2byc h LEU 66 Cb 0.08 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 2byc h LEU 66 CO -0.01 0.36 0.46 0.40 0.09 0.00 0.00 178.44 179.74 2byc h ILE 67 N -0.08 1.22 0.00 1.22 2.04 -0.85 -1.17 117.51 119.89 2byc h ILE 67 Ca 0.03 -0.48 -0.03 0.00 1.00 0.00 0.00 64.86 65.38 2byc h ILE 67 Cb 0.28 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.48 2byc h ILE 67 CO 0.00 0.23 -0.14 0.28 0.00 0.00 0.00 178.15 178.52 2byc h SER 68 N 1.07 0.00 0.02 1.72 0.02 -0.90 -2.37 113.55 113.11 2byc h SER 68 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2byc h SER 68 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2byc h SER 68 CO -0.05 0.14 -0.00 0.00 -1.14 0.00 0.00 176.83 175.78 2byc n ALA 69 N -2.24 2.67 -2.67 3.77 0.00 -0.45 -4.89 120.51 116.70 2byc n ALA 69 Ca -0.01 -0.23 -0.42 0.00 0.00 0.00 0.00 53.44 52.78 2byc n ALA 69 Cb 0.30 -1.47 -0.03 0.00 0.00 0.00 0.00 19.45 18.24 2byc n ALA 69 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2byc s ASP 70 N -2.02 7.05 0.00 0.00 -1.08 -0.89 -4.96 116.67 114.76 2byc s ASP 70 Ca 0.46 1.29 0.18 0.00 -0.52 0.00 0.00 52.55 53.96 2byc s ASP 70 Cb 0.22 -2.49 0.83 0.00 -1.46 0.00 0.00 42.92 40.01 2byc s ASP 70 CO 0.37 -0.47 1.55 -2.65 0.52 0.00 0.00 175.17 174.48 2byc n PRO 71 N 5.45 0.14 -0.07 4.34 -0.02 -1.26 -3.33 135.00 140.25 2byc n PRO 71 Ca 0.07 0.16 0.06 0.00 -2.02 0.00 0.00 63.50 61.76 2byc n PRO 71 Cb 0.48 -1.50 0.23 0.00 -0.02 0.00 0.00 33.50 32.70 2byc n PRO 71 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2byc n ARG 72 N -1.38 1.40 -3.70 -0.52 1.74 -1.26 -4.76 116.66 108.17 2byc n ARG 72 Ca 0.07 -0.61 -0.10 0.00 -0.77 0.00 0.00 57.85 56.43 2byc n ARG 72 Cb 0.17 -1.22 -0.05 0.00 -1.02 0.00 0.00 32.46 30.34 2byc n ARG 72 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2byc s HIS 73 N -1.81 -0.10 0.25 -1.55 -3.43 -1.21 0.22 115.29 107.65 2byc s HIS 73 Ca 0.19 -0.24 -0.00 0.00 -0.80 0.00 0.00 55.06 54.22 2byc s HIS 73 Cb 0.10 0.23 -0.03 0.00 -1.43 0.00 0.00 32.58 31.44 2byc s HIS 73 CO 0.15 -0.73 0.23 1.14 -2.00 0.00 0.00 174.74 173.53 2byc s GLN 74 N -3.84 1.44 -1.33 -0.38 -2.07 0.93 -4.85 119.66 109.56 2byc s GLN 74 Ca 0.06 -1.71 -0.02 0.00 -1.82 0.00 0.00 55.36 51.87 2byc s GLN 74 Cb 0.02 0.32 0.01 0.00 -1.09 0.00 0.00 33.01 32.26 2byc s GLN 74 CO -0.09 -0.52 0.73 0.39 -1.32 0.00 0.00 175.29 174.49 2byc n GLU 75 N -0.40 -5.01 -2.47 9.60 1.02 -1.26 0.30 120.64 122.41 2byc n GLU 75 Ca 0.03 0.62 -0.42 0.00 -0.02 0.00 0.00 57.16 57.38 2byc n GLU 75 Cb 0.64 -5.22 -0.03 0.00 -0.02 0.00 0.00 31.44 26.81 2byc n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2byc s ILE 76 N -3.63 4.02 -0.11 -3.67 1.01 -1.26 -4.36 121.20 113.20 2byc s ILE 76 Ca 0.07 1.55 -0.06 0.00 0.00 0.00 0.00 60.65 62.22 2byc s ILE 76 Cb -0.04 -3.99 0.05 0.00 0.01 0.00 0.00 42.46 38.49 2byc s ILE 76 CO 0.81 0.18 0.27 -0.22 0.00 0.00 0.00 174.94 175.98 2byc s LEU 77 N 0.50 0.36 0.22 2.97 2.96 -0.15 -5.00 118.68 120.54 2byc s LEU 77 Ca 0.55 0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 54.73 2byc s LEU 77 Cb -0.29 0.82 -0.08 0.00 0.50 0.00 0.00 46.19 47.14 2byc s LEU 77 CO 0.31 -0.17 1.13 0.00 -1.32 0.00 0.00 176.35 176.30 2byc s ALA 78 N 1.26 3.40 -0.13 5.97 0.00 -1.26 -1.30 121.76 129.69 2byc s ALA 78 Ca -0.09 0.88 -0.20 0.00 0.00 0.00 0.00 51.96 52.55 2byc s ALA 78 Cb -0.10 -3.36 -0.25 0.00 0.00 0.00 0.00 23.12 19.41 2byc s ALA 78 CO -0.09 -0.24 0.54 0.35 0.00 0.00 0.00 175.76 176.32 2byc h PHE 79 N 4.64 0.25 -2.45 0.00 3.57 -0.72 -3.48 116.94 118.76 2byc h PHE 79 Ca -0.45 -0.18 0.16 0.00 3.53 0.00 0.00 57.97 61.02 2byc h PHE 79 Cb 1.21 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 39.87 2byc h PHE 79 CO 0.61 1.41 0.46 0.16 -2.23 0.00 0.00 178.31 178.72 2byc s ASP 80 N -6.82 -0.16 -0.15 0.41 -4.77 -1.00 -5.00 116.67 99.18 2byc s ASP 80 Ca -0.21 -0.48 -0.05 0.00 -3.30 0.00 0.00 52.55 48.51 2byc s ASP 80 Cb 0.03 0.53 0.07 0.00 -1.09 0.00 0.00 42.92 42.46 2byc s ASP 80 CO 0.71 -0.98 0.26 -0.22 0.70 0.00 0.00 175.17 175.64 2byc s LEU 81 N -2.99 -0.30 -0.07 2.11 2.96 -1.26 -1.67 118.68 117.47 2byc s LEU 81 Ca 0.13 0.46 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 2byc s LEU 81 Cb -0.02 0.69 0.02 0.00 0.50 0.00 0.00 46.19 47.38 2byc s LEU 81 CO 0.03 -0.26 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.06 2byc s GLU 82 N 2.42 1.02 0.53 1.98 2.12 -0.15 -4.94 118.70 121.67 2byc s GLU 82 Ca 0.03 -0.12 -0.22 0.00 0.36 0.00 0.00 54.97 55.01 2byc s GLU 82 Cb -0.13 -1.09 -0.06 0.00 0.26 0.00 0.00 34.13 33.12 2byc s GLU 82 CO -0.09 -0.16 1.37 -2.30 -0.54 0.00 0.00 175.26 173.53 2byc n PRO 83 N 4.47 1.79 -4.04 4.30 -0.02 -1.26 -0.51 135.00 139.73 2byc n PRO 83 Ca -0.18 0.65 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 2byc n PRO 83 Cb 0.51 -2.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.30 2byc n PRO 83 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2byc s ILE 84 N -1.27 0.33 -0.02 4.25 -4.36 0.12 -4.83 121.20 115.42 2byc s ILE 84 Ca 0.70 -1.13 -0.23 0.00 -0.26 0.00 0.00 60.65 59.72 2byc s ILE 84 Cb -0.42 -0.62 -0.21 0.00 1.25 0.00 0.00 42.46 42.46 2byc s ILE 84 CO 0.51 -0.53 1.12 0.74 0.24 0.00 0.00 174.94 177.02 2byc h THR 85 N 4.33 1.48 -3.66 8.37 2.02 -1.95 -3.40 112.91 120.10 2byc h THR 85 Ca -0.34 -1.79 -0.18 0.00 0.77 0.00 0.00 66.41 64.87 2byc h THR 85 Cb 1.20 2.53 -0.23 0.00 -1.74 0.00 0.00 68.15 69.90 2byc h THR 85 CO 0.45 0.50 -0.60 0.00 0.37 0.00 0.00 175.52 176.24 2byc s ALA 86 N -3.44 -0.15 0.35 6.16 0.00 -1.26 -5.01 121.76 118.42 2byc s ALA 86 Ca -0.15 -0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.42 2byc s ALA 86 Cb 0.02 0.03 -0.12 0.00 0.00 0.00 0.00 23.12 23.05 2byc s ALA 86 CO 0.75 -0.13 1.05 0.54 0.00 0.00 0.00 175.76 177.97 2byc n ARG 87 N 2.10 1.47 0.04 0.00 1.74 -1.26 -4.96 116.66 115.79 2byc n ARG 87 Ca -0.19 0.52 -0.14 0.00 -0.77 0.00 0.00 57.85 57.27 2byc n ARG 87 Cb 0.57 -2.00 -0.14 0.00 -1.02 0.00 0.00 32.46 29.87 2byc n ARG 87 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2byc h ARG 88 N 1.89 0.16 -2.22 5.56 3.08 -1.99 -3.40 114.38 117.46 2byc h ARG 88 Ca -0.43 -0.28 -0.56 0.00 0.07 0.00 0.00 59.98 58.78 2byc h ARG 88 Cb 1.33 0.10 -0.42 0.00 0.08 0.00 0.00 29.97 31.07 2byc h ARG 88 CO 0.59 0.98 -0.78 1.19 -1.07 0.00 0.00 179.97 180.88 2byc n PHE 89 N -3.36 3.11 0.30 3.04 3.01 -1.26 -4.89 117.46 117.41 2byc n PHE 89 Ca -0.15 -3.96 0.17 0.00 1.01 0.00 0.00 57.45 54.52 2byc n PHE 89 Cb 1.03 -0.47 0.91 0.00 -0.01 0.00 0.00 39.48 40.94 2byc n PHE 89 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2byc h PRO 90 N 2.99 0.00 -0.00 -1.08 0.13 -1.97 -2.51 132.00 129.55 2byc h PRO 90 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2byc h PRO 90 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 2byc h PRO 90 CO 0.74 0.04 -0.19 -0.25 -0.23 0.00 0.00 178.00 178.12 2byc n ASP 91 N -3.47 0.52 -3.91 1.44 8.00 -1.26 -4.76 116.55 113.11 2byc n ASP 91 Ca -0.02 -0.45 -0.28 0.00 0.71 0.00 0.00 54.79 54.75 2byc n ASP 91 Cb 0.16 -0.03 -0.17 0.00 -0.02 0.00 0.00 41.12 41.06 2byc n ASP 91 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2byc s TRP 92 N -2.63 1.70 0.18 1.24 0.52 -0.94 -4.99 118.94 114.01 2byc s TRP 92 Ca 0.23 -0.99 -0.14 0.00 0.02 0.00 0.00 56.10 55.22 2byc s TRP 92 Cb 0.19 -1.33 0.15 0.00 -1.15 0.00 0.00 33.47 31.34 2byc s TRP 92 CO 0.53 -0.59 1.73 1.03 0.02 0.00 0.00 176.95 179.67 2byc h SER 93 N 8.13 0.08 -1.89 2.95 0.87 -1.82 0.86 113.55 122.72 2byc h SER 93 Ca -0.28 0.07 0.10 0.00 -1.23 0.00 0.00 61.79 60.45 2byc h SER 93 Cb 1.12 0.08 -0.21 0.00 -0.44 0.00 0.00 62.40 62.95 2byc h SER 93 CO 0.42 0.07 -0.03 -0.32 -0.53 0.00 0.00 176.83 176.44 2byc s MET 94 N -6.14 0.52 -0.15 2.24 -2.45 -1.25 -3.48 119.30 108.59 2byc s MET 94 Ca -0.13 1.27 -0.05 0.00 -1.25 0.00 0.00 55.69 55.52 2byc s MET 94 Cb 0.14 0.70 -0.04 0.00 1.25 0.00 0.00 34.83 36.89 2byc s MET 94 CO 0.72 -0.17 0.03 0.50 1.05 0.00 0.00 175.02 177.15 2byc s ARG 95 N 2.66 3.70 0.03 4.11 3.52 -0.37 -4.96 118.95 127.63 2byc s ARG 95 Ca -0.06 -0.39 -0.15 0.00 -0.13 0.00 0.00 55.73 55.00 2byc s ARG 95 Cb -0.10 -3.06 -0.06 0.00 -1.56 0.00 0.00 34.95 30.17 2byc s ARG 95 CO -0.19 0.37 0.45 -1.50 -0.81 0.00 0.00 175.30 173.62 2byc s ILE 96 N 0.07 4.96 -0.32 4.11 2.07 -1.26 -0.66 121.20 130.17 2byc s ILE 96 Ca 0.04 0.91 0.03 0.00 -1.41 0.00 0.00 60.65 60.21 2byc s ILE 96 Cb -0.13 -3.75 0.09 0.00 0.13 0.00 0.00 42.46 38.81 2byc s ILE 96 CO 0.01 0.55 0.03 -0.69 -1.91 0.00 0.00 174.94 172.93 2byc s VAL 97 N -1.12 2.04 0.29 4.00 1.01 0.16 -4.91 120.40 121.86 2byc s VAL 97 Ca 0.26 -2.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.15 2byc s VAL 97 Cb -0.17 -2.45 0.06 0.00 0.00 0.00 0.00 36.38 33.82 2byc s VAL 97 CO 0.15 -0.50 0.40 -1.54 0.00 0.00 0.00 175.10 173.60 2byc n SER 98 N 4.38 0.31 0.17 3.32 3.41 -1.26 -1.34 113.62 122.61 2byc n SER 98 Ca -0.00 -1.31 -0.15 0.00 -0.26 0.00 0.00 58.87 57.14 2byc n SER 98 Cb 0.42 -0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 64.01 2byc n SER 98 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2byc h ARG 99 N 0.00 -0.72 -0.17 4.33 2.43 -1.71 -2.12 114.38 116.43 2byc h ARG 99 Ca -0.13 0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2byc h ARG 99 Cb 0.43 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.07 2byc h ARG 99 CO 0.12 -0.48 -0.33 -0.22 -1.51 0.00 0.00 179.97 177.55 2byc h LYS 100 N -0.74 -0.37 0.00 0.20 3.64 -1.94 -0.58 116.57 116.78 2byc h LYS 100 Ca -0.00 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2byc h LYS 100 Cb 0.72 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2byc h LYS 100 CO -0.18 -0.24 -0.42 1.49 -2.27 0.00 0.00 179.45 177.83 2byc h GLU 101 N -0.38 0.00 -0.24 1.90 4.81 -1.92 -2.32 114.58 116.42 2byc h GLU 101 Ca 0.11 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.18 2byc h GLU 101 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 2byc h GLU 101 CO -0.38 0.42 -0.48 1.25 -0.73 0.00 0.00 179.01 179.08 2byc h LEU 102 N 0.00 0.71 -0.37 1.64 5.85 -0.92 -1.40 115.31 120.82 2byc h LEU 102 Ca -0.00 -0.35 0.07 0.00 0.84 0.00 0.00 57.88 58.44 2byc h LEU 102 Cb 0.81 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.57 2byc h LEU 102 CO 0.05 1.08 -0.09 0.03 -0.34 0.00 0.00 178.44 179.17 2byc h ARG 103 N 0.52 0.00 -0.09 1.25 3.08 -0.59 -0.79 114.38 117.76 2byc h ARG 103 Ca 0.03 -0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 2byc h ARG 103 Cb 1.03 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 2byc h ARG 103 CO 0.10 0.00 -0.35 0.00 -1.07 0.00 0.00 179.97 178.65 2byc h ALA 104 N 1.37 1.25 0.00 0.04 0.00 -1.33 -3.06 119.26 117.53 2byc h ALA 104 Ca 0.18 -0.36 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 2byc h ALA 104 Cb 0.27 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 2byc h ALA 104 CO -0.38 0.52 -1.85 1.28 0.00 0.00 0.00 179.25 178.81 2byc n LEU 105 N -4.09 0.41 -2.78 0.00 4.32 -0.54 -4.70 117.00 109.62 2byc n LEU 105 Ca -0.01 0.18 -0.10 0.00 -0.02 0.00 0.00 56.01 56.06 2byc n LEU 105 Cb 0.42 0.20 0.08 0.00 -1.62 0.00 0.00 43.42 42.50 2byc n LEU 105 CO 0.40 0.24 0.28 0.00 -1.22 0.00 0.00 177.39 177.09 2byc n ALA 106 N -2.49 -0.12 -0.36 -1.18 0.00 -0.33 -4.86 120.51 111.18 2byc n ALA 106 Ca -0.16 -1.72 0.26 0.00 0.00 0.00 0.00 53.44 51.82 2byc n ALA 106 Cb 0.89 -1.11 0.52 0.00 0.00 0.00 0.00 19.45 19.76 2byc n ALA 106 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2byc h PRO 107 N 2.88 0.29 0.00 0.00 0.13 -1.60 0.95 132.00 134.65 2byc h PRO 107 Ca -0.10 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2byc h PRO 107 Cb 1.11 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.17 2byc h PRO 107 CO 0.16 0.19 -0.16 -0.25 -0.23 0.00 0.00 178.00 177.71 2byc n ASP 108 N -4.84 0.41 -0.80 1.44 8.00 -1.26 -3.62 116.55 115.88 2byc n ASP 108 Ca 0.31 0.35 0.09 0.00 0.71 0.00 0.00 54.79 56.25 2byc n ASP 108 Cb 1.05 -0.38 0.12 0.00 -0.02 0.00 0.00 41.12 41.90 2byc n ASP 108 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2byc n LEU 109 N -1.80 2.76 0.09 0.64 4.32 0.31 -4.62 117.00 118.71 2byc n LEU 109 Ca 0.06 -1.29 0.19 0.00 -0.02 0.00 0.00 56.01 54.95 2byc n LEU 109 Cb 0.38 -0.11 0.74 0.00 -1.62 0.00 0.00 43.42 42.81 2byc n LEU 109 CO 0.30 0.56 1.17 -0.08 -1.22 0.00 0.00 177.39 178.12 2byc h GLU 110 N 3.41 0.00 0.00 3.23 4.81 -1.58 0.43 114.58 124.87 2byc h GLU 110 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 2byc h GLU 110 Cb 0.78 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2byc h GLU 110 CO 0.00 0.00 -0.37 0.00 -0.73 0.00 0.00 179.01 177.91 2byc h ARG 111 N 0.00 0.00 -5.85 1.92 3.08 -1.88 -3.45 114.38 108.20 2byc h ARG 111 Ca 0.18 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.85 2byc h ARG 111 Cb 0.84 0.00 0.12 0.00 0.08 0.00 0.00 29.97 31.01 2byc h ARG 111 CO -0.00 0.37 -0.75 1.28 -1.07 0.00 0.00 179.97 179.80 2byc n LEU 112 N -3.53 -3.54 0.08 3.04 4.77 0.15 -4.87 117.00 113.10 2byc n LEU 112 Ca -0.00 -0.64 0.01 0.00 -0.03 0.00 0.00 56.01 55.35 2byc n LEU 112 Cb 0.50 -2.97 -0.04 0.00 -2.33 0.00 0.00 43.42 38.58 2byc n LEU 112 CO 0.37 0.49 0.02 0.44 -1.33 0.00 0.00 177.39 177.38 2byc h ASP 113 N -2.19 0.00 -6.39 -1.43 3.32 -1.91 -3.48 116.42 104.33 2byc h ASP 113 Ca -0.59 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 55.97 2byc h ASP 113 Cb 1.36 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.80 2byc h ASP 113 CO 0.55 0.55 -0.77 0.18 -1.72 0.00 0.00 179.24 178.03 2byc n LEU 114 N -3.03 -2.17 0.03 1.55 4.32 -1.26 -4.92 117.00 111.52 2byc n LEU 114 Ca -0.05 -0.83 -0.10 0.00 -0.02 0.00 0.00 56.01 55.01 2byc n LEU 114 Cb 0.80 -2.36 -0.13 0.00 -1.62 0.00 0.00 43.42 40.10 2byc n LEU 114 CO 0.42 0.38 -0.23 0.28 -1.22 0.00 0.00 177.39 177.02 2byc h SER 115 N -1.79 0.10 -4.00 -1.43 0.02 -2.01 -3.45 113.55 100.98 2byc h SER 115 Ca -0.57 -0.14 -0.54 0.00 -0.84 0.00 0.00 61.79 59.70 2byc h SER 115 Cb 1.37 -0.03 0.11 0.00 0.14 0.00 0.00 62.40 63.99 2byc h SER 115 CO 0.70 1.12 0.64 -0.83 -1.14 0.00 0.00 176.83 177.32 2byc s GLY 116 N -4.93 2.90 0.02 -3.77 0.00 -1.26 -4.93 107.32 95.35 2byc s GLY 116 Ca -0.04 1.34 0.26 0.00 0.00 0.00 0.00 44.72 46.28 2byc s GLY 116 CO 0.83 1.90 1.82 -1.05 0.00 0.00 0.00 173.10 176.60 2byc n PRO 117 N -0.42 0.02 -0.16 2.90 -0.02 -1.26 -3.37 135.00 132.69 2byc n PRO 117 Ca 0.07 0.08 0.07 0.00 -2.02 0.00 0.00 63.50 61.69 2byc n PRO 117 Cb 0.44 -1.53 0.14 0.00 -0.02 0.00 0.00 33.50 32.52 2byc n PRO 117 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2byc n GLU 118 N -1.57 2.31 -0.18 -0.52 1.02 -1.26 -4.71 120.64 115.73 2byc n GLU 118 Ca 0.06 -2.31 -0.07 0.00 -0.02 0.00 0.00 57.16 54.82 2byc n GLU 118 Cb 0.31 -1.43 0.02 0.00 -0.02 0.00 0.00 31.44 30.32 2byc n GLU 118 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2byc h ASP 119 N 0.71 0.65 -0.13 1.62 3.45 -1.92 0.18 116.42 120.98 2byc h ASP 119 Ca 0.00 -0.09 -0.05 0.00 0.43 0.00 0.00 57.03 57.32 2byc h ASP 119 Cb 0.95 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 39.55 2byc h ASP 119 CO 0.05 0.55 -0.11 0.58 -1.57 0.00 0.00 179.24 178.74 2byc h VAL 120 N 0.70 1.34 -0.88 -1.35 2.07 -1.84 0.17 116.25 116.47 2byc h VAL 120 Ca 0.18 -1.25 0.08 0.00 0.82 0.00 0.00 66.70 66.54 2byc h VAL 120 Cb 0.04 1.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 2byc h VAL 120 CO -0.03 0.36 0.53 0.00 0.02 0.00 0.00 177.57 178.45 2byc h ALA 121 N 0.61 1.24 -0.05 1.67 0.00 -1.86 0.33 119.26 121.20 2byc h ALA 121 Ca 0.02 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 2byc h ALA 121 Cb 0.63 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2byc h ALA 121 CO 0.03 0.21 0.02 1.49 0.00 0.00 0.00 179.25 181.00 2byc h GLU 122 N 0.92 0.07 -0.52 0.00 4.57 -0.47 -0.52 114.58 118.64 2byc h GLU 122 Ca 0.40 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.63 2byc h GLU 122 Cb 0.29 -0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 2byc h GLU 122 CO -0.21 0.24 0.24 -0.07 -1.18 0.00 0.00 179.01 178.02 2byc h LEU 123 N -0.11 0.31 -0.62 1.64 3.38 -0.26 -0.49 115.31 119.16 2byc h LEU 123 Ca 0.02 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2byc h LEU 123 Cb 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2byc h LEU 123 CO -0.00 0.21 0.34 0.45 0.09 0.00 0.00 178.44 179.53 2byc h HIS 124 N 0.46 0.86 0.03 1.13 3.86 -0.19 -0.81 115.15 120.48 2byc h HIS 124 Ca 0.24 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2byc h HIS 124 Cb 0.19 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 28.39 2byc h HIS 124 CO -0.12 0.62 -0.01 -0.09 0.86 0.00 0.00 177.93 179.19 2byc h ARG 125 N 0.85 -0.03 -0.02 2.45 2.43 -0.71 -0.95 114.38 118.40 2byc h ARG 125 Ca 0.22 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 59.13 2byc h ARG 125 Cb 0.05 0.01 0.02 0.00 -0.42 0.00 0.00 29.97 29.63 2byc h ARG 125 CO -0.03 0.20 -1.00 1.79 -1.51 0.00 0.00 179.97 179.42 2byc h THR 126 N -0.27 1.28 0.47 0.20 1.35 -0.96 -2.18 112.91 112.81 2byc h THR 126 Ca -0.00 -2.21 -0.02 0.00 -0.55 0.00 0.00 66.41 63.63 2byc h THR 126 Cb 0.25 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.02 2byc h THR 126 CO 0.01 0.68 -0.23 0.40 -0.25 0.00 0.00 175.52 176.13 2byc h ILE 127 N 0.39 0.52 -0.88 6.82 2.04 -1.22 -1.50 117.51 123.68 2byc h ILE 127 Ca -0.12 -0.19 0.23 0.00 1.00 0.00 0.00 64.86 65.78 2byc h ILE 127 Cb 1.65 0.61 -0.14 0.00 -0.74 0.00 0.00 36.82 38.20 2byc h ILE 127 CO 0.20 0.03 0.28 0.00 0.00 0.00 0.00 178.15 178.66 2byc h ALA 128 N -0.27 1.31 -0.35 1.87 0.00 -1.23 -1.81 119.26 118.79 2byc h ALA 128 Ca -0.06 0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.89 2byc h ALA 128 Cb 0.54 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2byc h ALA 128 CO 0.11 -0.44 -0.41 0.00 0.00 0.00 0.00 179.25 178.51 2byc h ALA 129 N 1.76 0.61 0.20 0.00 0.00 -1.31 -3.03 119.26 117.48 2byc h ALA 129 Ca 0.55 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2byc h ALA 129 Cb 1.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2byc h ALA 129 CO -0.62 0.68 -0.14 1.03 0.00 0.00 0.00 179.25 180.20 2byc h SER 130 N 0.71 -0.36 -2.56 0.00 0.87 -0.43 -3.17 113.55 108.61 2byc h SER 130 Ca 0.05 0.03 -0.27 0.00 -1.23 0.00 0.00 61.79 60.37 2byc h SER 130 Cb 0.99 0.11 0.15 0.00 -0.44 0.00 0.00 62.40 63.21 2byc h SER 130 CO 0.10 -0.22 -0.05 0.18 -0.53 0.00 0.00 176.83 176.31 2byc n LEU 131 N -5.26 0.00 0.00 2.23 4.77 -0.92 -3.58 117.00 114.24 2byc n LEU 131 Ca -0.08 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 2byc n LEU 131 Cb 0.18 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 2byc n LEU 131 CO 0.32 -2.24 0.00 -1.20 -1.33 0.00 0.00 177.39 172.95 2byc n SER 132 N -4.79 0.00 -0.31 -1.43 7.64 -1.23 -4.40 113.62 109.10 2byc n SER 132 Ca 0.10 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.13 2byc n SER 132 Cb 0.43 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 64.02 2byc n SER 132 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2byc h ARG 133 N 0.00 0.64 -0.08 1.43 3.08 -1.60 0.54 114.38 118.38 2byc h ARG 133 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2byc h ARG 133 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.91 2byc h ARG 133 CO 0.00 0.42 0.00 0.41 -1.07 0.00 0.00 179.97 179.73 2byc n GLY 134 N -1.41 -0.44 3.91 0.04 0.00 -1.26 -4.96 105.19 101.08 2byc n GLY 134 Ca 0.21 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2byc n GLY 134 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2byc s ASP 135 N -1.51 6.18 0.00 1.61 1.01 0.18 -5.16 116.67 118.98 2byc s ASP 135 Ca 0.27 0.86 0.00 0.00 0.71 0.00 0.00 52.55 54.39 2byc s ASP 135 Cb 0.14 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.91 2byc s ASP 135 CO 0.22 -0.61 0.00 0.00 0.21 0.00 0.00 175.17 174.98