#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujo n SER 2 N 0.00 -0.66 -1.75 1.61 2.88 -1.26 -5.05 113.62 109.39 1ujo n SER 2 Ca 0.00 -2.46 0.00 0.00 -1.33 0.00 0.00 58.87 55.08 1ujo n SER 2 Cb 0.00 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 1ujo n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ujo n SER 3 N 2.66 -7.28 -4.77 -3.46 2.88 -1.26 -3.60 113.62 98.80 1ujo n SER 3 Ca 0.28 1.11 -0.36 0.00 -1.33 0.00 0.00 58.87 58.58 1ujo n SER 3 Cb 0.49 -4.04 -0.08 0.00 -0.75 0.00 0.00 64.21 59.84 1ujo n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujo s GLY 4 N -0.40 2.06 0.17 0.46 0.00 -1.26 -2.54 107.32 105.82 1ujo s GLY 4 Ca 0.00 -0.68 -0.24 0.00 0.00 0.00 0.00 44.72 43.79 1ujo s GLY 4 CO 0.00 -0.03 0.92 -0.45 0.00 0.00 0.00 173.10 173.54 1ujo s SER 5 N -0.07 -0.20 0.43 1.64 0.15 -1.26 -4.98 113.70 109.41 1ujo s SER 5 Ca 0.10 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1ujo s SER 5 Cb -0.11 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1ujo s SER 5 CO -0.00 -0.96 0.00 -0.24 1.20 0.00 0.00 173.24 173.24 1ujo n SER 6 N -0.46 -6.43 0.00 5.45 2.88 -1.26 -4.82 113.62 108.98 1ujo n SER 6 Ca -0.06 1.30 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1ujo n SER 6 Cb 0.60 -3.51 0.00 0.00 -0.75 0.00 0.00 64.21 60.55 1ujo n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujo n GLY 7 N -2.00 -2.29 1.36 0.46 0.00 -1.26 -5.09 105.19 96.38 1ujo n GLY 7 Ca 0.00 0.79 0.16 0.00 0.00 0.00 0.00 46.02 46.97 1ujo n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ujo n GLU 8 N -0.26 -2.86 -0.07 1.61 1.02 -1.26 -4.19 120.64 114.62 1ujo n GLU 8 Ca 0.00 2.19 -0.07 0.00 -0.02 0.00 0.00 57.16 59.26 1ujo n GLU 8 Cb 0.00 -3.46 -0.04 0.00 -0.02 0.00 0.00 31.44 27.92 1ujo n GLU 8 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1ujo h GLU 9 N -1.38 0.00 -0.84 3.49 5.08 -2.02 -3.33 114.58 115.58 1ujo h GLU 9 Ca -0.10 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.34 1ujo h GLU 9 Cb 1.32 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.47 1ujo h GLU 9 CO 0.05 0.24 -0.56 1.25 -1.00 0.00 0.00 179.01 178.99 1ujo h LEU 10 N -1.00 -2.02 -0.95 1.33 6.46 -2.00 0.24 115.31 117.37 1ujo h LEU 10 Ca -0.05 0.30 0.13 0.00 -0.12 0.00 0.00 57.88 58.14 1ujo h LEU 10 Cb 0.51 0.88 -0.14 0.00 -0.73 0.00 0.00 40.66 41.18 1ujo h LEU 10 CO -0.03 -0.25 -0.41 1.21 -0.62 0.00 0.00 178.44 178.33 1ujo n GLU 11 N -5.18 -0.27 -0.22 1.25 2.13 -1.26 0.58 120.64 117.67 1ujo n GLU 11 Ca 0.01 1.46 -0.03 0.00 0.66 0.00 0.00 57.16 59.26 1ujo n GLU 11 Cb 0.27 -2.16 0.03 0.00 0.27 0.00 0.00 31.44 29.85 1ujo n GLU 11 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1ujo h GLU 12 N 0.00 -0.10 0.57 5.31 5.08 -0.64 0.36 114.58 125.16 1ujo h GLU 12 Ca 0.29 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.63 1ujo h GLU 12 Cb 0.53 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.81 1ujo h GLU 12 CO -0.93 -0.07 -0.27 -0.09 -1.00 0.00 0.00 179.01 176.65 1ujo h ARG 13 N -0.10 -0.74 -0.88 2.33 2.43 0.68 0.24 114.38 118.34 1ujo h ARG 13 Ca 0.27 0.05 0.12 0.00 -0.81 0.00 0.00 59.98 59.61 1ujo h ARG 13 Cb 0.55 0.17 -0.14 0.00 -0.42 0.00 0.00 29.97 30.13 1ujo h ARG 13 CO -0.71 -0.43 -0.44 -0.07 -1.51 0.00 0.00 179.97 176.80 1ujo h LEU 14 N -0.94 -1.61 0.14 3.80 3.38 0.90 0.38 115.31 121.36 1ujo h LEU 14 Ca -0.08 0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1ujo h LEU 14 Cb 0.64 0.78 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1ujo h LEU 14 CO 0.13 -0.29 -0.07 0.58 0.09 0.00 0.00 178.44 178.88 1ujo h VAL 15 N -0.06 0.86 -0.75 1.22 2.07 -0.27 -0.34 116.25 118.98 1ujo h VAL 15 Ca 0.26 -0.02 0.22 0.00 0.82 0.00 0.00 66.70 67.98 1ujo h VAL 15 Cb 0.54 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1ujo h VAL 15 CO -0.89 0.00 0.79 -0.33 0.02 0.00 0.00 177.57 177.16 1ujo h GLU 16 N -0.20 0.00 0.00 1.57 4.39 0.30 0.48 114.58 121.12 1ujo h GLU 16 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1ujo h GLU 16 Cb 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 1ujo h GLU 16 CO 0.03 0.00 -0.13 2.35 -1.16 0.00 0.00 179.01 180.10 1ujo h TRP 17 N 0.00 0.00 -0.58 4.33 7.01 0.92 -3.13 115.95 124.50 1ujo h TRP 17 Ca 0.36 0.00 0.17 0.00 2.11 0.00 0.00 58.89 61.53 1ujo h TRP 17 Cb 1.94 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.97 1ujo h TRP 17 CO 0.00 0.00 0.74 0.82 -2.79 0.00 0.00 178.44 177.21 1ujo h ILE 18 N -0.96 0.18 0.32 2.65 2.04 0.66 0.70 117.51 123.10 1ujo h ILE 18 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ujo h ILE 18 Cb 0.13 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1ujo h ILE 18 CO 0.00 0.00 -0.16 0.58 0.00 0.00 0.00 178.15 178.57 1ujo h VAL 19 N 0.00 0.54 -0.62 1.67 2.07 -0.23 0.60 116.25 120.29 1ujo h VAL 19 Ca 0.28 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.99 1ujo h VAL 19 Cb 1.76 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 1ujo h VAL 19 CO -0.00 0.11 0.09 -0.37 0.02 0.00 0.00 177.57 177.42 1ujo h VAL 20 N -0.92 1.25 0.00 2.57 -1.51 -0.21 1.56 116.25 119.00 1ujo h VAL 20 Ca -0.04 -1.00 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 1ujo h VAL 20 Cb 0.52 0.68 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1ujo h VAL 20 CO 0.07 0.37 0.00 0.00 -1.23 0.00 0.00 177.57 176.78 1ujo n GLN 21 N -4.22 0.00 0.21 5.19 1.13 0.20 -3.82 117.38 116.07 1ujo n GLN 21 Ca 0.04 0.44 -0.15 0.00 -1.94 0.00 0.00 57.00 55.39 1ujo n GLN 21 Cb 0.28 -1.43 -0.08 0.00 0.11 0.00 0.00 30.24 29.12 1ujo n GLN 21 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ujo n GLY 23 N -1.01 1.57 2.31 0.00 0.00 0.53 -4.80 105.19 103.80 1ujo n GLY 23 Ca -0.10 -2.24 -0.20 0.00 0.00 0.00 0.00 46.02 43.48 1ujo n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujo n PRO 24 N -0.91 2.17 0.00 1.61 -0.04 -1.26 -3.30 135.00 133.28 1ujo n PRO 24 Ca 0.00 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.17 1ujo n PRO 24 Cb 0.00 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 1ujo n PRO 24 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1ujo n ASP 25 N 3.31 1.22 0.16 3.54 2.03 -1.26 -4.75 116.55 120.80 1ujo n ASP 25 Ca 0.46 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.79 1ujo n ASP 25 Cb 0.42 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.07 1ujo n ASP 25 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1ujo h VAL 26 N 0.00 1.17 0.00 5.18 -1.51 -1.90 -3.49 116.25 115.70 1ujo h VAL 26 Ca 0.00 -1.82 0.00 0.00 -1.23 0.00 0.00 66.70 63.65 1ujo h VAL 26 Cb 0.58 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.78 1ujo h VAL 26 CO 0.00 0.49 0.00 0.61 -1.23 0.00 0.00 177.57 177.44 1ujo n GLY 27 N 0.23 -1.18 3.57 5.19 0.00 -1.26 -4.97 105.19 106.76 1ujo n GLY 27 Ca -0.01 -1.47 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 1ujo n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ujo s ARG 28 N 0.00 1.86 -0.09 1.61 3.52 -1.26 -4.86 118.95 119.74 1ujo s ARG 28 Ca 0.00 -2.02 -0.30 0.00 -0.13 0.00 0.00 55.73 53.29 1ujo s ARG 28 Cb 0.00 -1.57 -0.03 0.00 -1.56 0.00 0.00 34.95 31.79 1ujo s ARG 28 CO 0.00 0.01 1.24 -1.25 -0.81 0.00 0.00 175.30 174.49 1ujo s PRO 29 N -3.69 4.31 -0.02 5.12 0.04 -1.26 -5.02 135.00 134.48 1ujo s PRO 29 Ca 0.34 1.69 -0.04 0.00 0.04 0.00 0.00 61.00 63.03 1ujo s PRO 29 Cb 0.07 -3.63 -0.04 0.00 0.04 0.00 0.00 34.50 30.94 1ujo s PRO 29 CO 0.17 -0.54 0.20 0.16 0.04 0.00 0.00 177.00 177.03 1ujo s ASP 30 N 1.67 6.41 0.88 6.66 1.47 -1.26 -4.85 116.67 127.65 1ujo s ASP 30 Ca 0.56 0.42 -0.07 0.00 1.18 0.00 0.00 52.55 54.64 1ujo s ASP 30 Cb -0.24 -2.04 0.12 0.00 -0.34 0.00 0.00 42.92 40.42 1ujo s ASP 30 CO 0.20 0.28 0.26 0.54 0.68 0.00 0.00 175.17 177.13 1ujo n ARG 31 N 1.13 -1.52 0.00 2.11 3.00 -1.26 -3.80 116.66 116.32 1ujo n ARG 31 Ca -0.12 -0.44 0.00 0.00 -0.01 0.00 0.00 57.85 57.28 1ujo n ARG 31 Cb 0.53 -0.73 0.00 0.00 0.00 0.00 0.00 32.46 32.26 1ujo n ARG 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ujo n GLY 32 N -1.29 0.72 5.00 -0.13 0.00 -1.05 -4.54 105.19 103.90 1ujo n GLY 32 Ca 0.04 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1ujo n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujo n ARG 33 N 0.00 0.00 -3.37 1.61 5.12 -1.25 -3.96 116.66 114.81 1ujo n ARG 33 Ca 0.00 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.74 1ujo n ARG 33 Cb 0.00 0.00 -0.08 0.00 -1.16 0.00 0.00 32.46 31.22 1ujo n ARG 33 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 1ujo s LEU 34 N 0.00 0.01 -0.00 0.55 2.34 -1.26 -4.71 118.68 115.61 1ujo s LEU 34 Ca 0.00 -1.59 -0.00 0.00 0.06 0.00 0.00 54.13 52.60 1ujo s LEU 34 Cb 0.00 0.49 -0.00 0.00 -0.56 0.00 0.00 46.19 46.12 1ujo s LEU 34 CO 0.00 -0.27 0.31 1.23 -1.06 0.00 0.00 176.35 176.57 1ujo h GLY 35 N 7.11 -0.00 -0.89 -3.48 0.00 -1.69 -3.08 103.07 101.04 1ujo h GLY 35 Ca 0.04 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.47 1ujo h GLY 35 CO 0.21 -0.00 -0.48 0.33 0.00 0.00 0.00 176.54 176.60 1ujo n PHE 36 N -2.00 -0.28 -0.26 5.60 7.35 -1.26 0.15 117.46 126.76 1ujo n PHE 36 Ca -0.00 1.11 -0.06 0.00 -0.76 0.00 0.00 57.45 57.74 1ujo n PHE 36 Cb 0.00 -0.64 -0.01 0.00 0.35 0.00 0.00 39.48 39.18 1ujo n PHE 36 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1ujo h GLN 37 N 0.00 -0.14 -0.48 -4.13 -0.00 -1.92 0.62 115.11 109.07 1ujo h GLN 37 Ca 0.19 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.81 1ujo h GLN 37 Cb 0.41 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.90 1ujo h GLN 37 CO -0.85 -0.09 0.15 0.28 0.00 0.00 0.00 178.83 178.32 1ujo h VAL 38 N -0.14 1.23 -1.00 2.39 2.07 -0.17 -1.03 116.25 119.60 1ujo h VAL 38 Ca 0.23 -0.75 0.22 0.00 0.82 0.00 0.00 66.70 67.22 1ujo h VAL 38 Cb 0.56 0.80 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 1ujo h VAL 38 CO -0.77 0.27 0.62 -0.25 0.02 0.00 0.00 177.57 177.46 1ujo h TRP 39 N 0.65 0.86 -1.23 1.57 7.01 0.49 0.35 115.95 125.65 1ujo h TRP 39 Ca 0.16 0.03 -0.63 0.00 2.11 0.00 0.00 58.89 60.55 1ujo h TRP 39 Cb 0.27 -0.26 -0.37 0.00 -2.10 0.00 0.00 29.16 26.70 1ujo h TRP 39 CO 0.01 0.15 -0.06 1.28 -2.79 0.00 0.00 178.44 177.04 1ujo n LEU 40 N -4.70 6.00 -0.05 0.65 4.77 0.18 -4.60 117.00 119.26 1ujo n LEU 40 Ca 0.24 -4.78 -0.10 0.00 -0.03 0.00 0.00 56.01 51.34 1ujo n LEU 40 Cb 0.69 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1ujo n LEU 40 CO 0.23 1.93 -0.64 1.17 -1.33 0.00 0.00 177.39 178.75 1ujo n LYS 41 N -0.67 0.32 -0.33 3.23 4.81 0.12 -4.58 118.16 121.06 1ujo n LYS 41 Ca 0.49 0.13 0.22 0.00 -0.87 0.00 0.00 58.31 58.28 1ujo n LYS 41 Cb 0.69 -1.05 0.44 0.00 0.02 0.00 0.00 35.03 35.13 1ujo n LYS 41 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1ujo h ASN 42 N -0.57 0.33 0.00 3.14 4.21 -1.81 -3.45 115.58 117.42 1ujo h ASN 42 Ca -0.16 0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.56 1ujo h ASN 42 Cb 0.87 0.20 0.00 0.00 -1.12 0.00 0.00 38.32 38.27 1ujo h ASN 42 CO -0.09 -0.19 0.00 0.61 -1.29 0.00 0.00 177.43 176.46 1ujo n GLY 43 N -1.32 2.82 0.28 2.83 0.00 -1.26 -4.51 105.19 104.04 1ujo n GLY 43 Ca 0.30 -0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.13 1ujo n GLY 43 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ujo h VAL 44 N 0.00 0.25 -0.83 1.61 2.07 -1.88 1.33 116.25 118.80 1ujo h VAL 44 Ca 0.00 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.52 1ujo h VAL 44 Cb 0.00 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 1ujo h VAL 44 CO 0.00 0.00 0.55 0.40 0.02 0.00 0.00 177.57 178.54 1ujo h ILE 45 N 0.02 1.21 -0.01 4.57 2.04 -1.89 0.37 117.51 123.82 1ujo h ILE 45 Ca 0.38 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 1ujo h ILE 45 Cb 0.59 -0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1ujo h ILE 45 CO -0.76 0.21 0.00 -0.07 0.00 0.00 0.00 178.15 177.53 1ujo h LEU 46 N 1.13 0.02 -1.26 1.44 3.38 0.36 -0.38 115.31 119.99 1ujo h LEU 46 Ca 0.30 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1ujo h LEU 46 Cb -0.13 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1ujo h LEU 46 CO -0.07 0.17 0.51 0.77 0.09 0.00 0.00 178.44 179.91 1ujo h SER 47 N -0.14 0.84 0.08 -0.43 4.64 0.18 0.12 113.55 118.83 1ujo h SER 47 Ca 0.00 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.24 1ujo h SER 47 Cb 0.16 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 1ujo h SER 47 CO -0.00 0.59 -0.22 0.11 -0.87 0.00 0.00 176.83 176.44 1ujo h LYS 48 N 0.98 0.25 0.00 4.77 1.57 0.12 -1.53 116.57 122.74 1ujo h LYS 48 Ca 0.30 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1ujo h LYS 48 Cb -0.02 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1ujo h LYS 48 CO -0.08 0.47 0.00 -0.11 -0.57 0.00 0.00 179.45 179.16 1ujo n LEU 49 N -4.19 0.19 -0.33 2.94 7.94 -0.02 -0.25 117.00 123.29 1ujo n LEU 49 Ca -0.01 0.72 0.10 0.00 -1.11 0.00 0.00 56.01 55.71 1ujo n LEU 49 Cb 0.34 -0.30 0.22 0.00 0.53 0.00 0.00 43.42 44.21 1ujo n LEU 49 CO 0.39 -0.30 0.77 1.62 -1.11 0.00 0.00 177.39 178.76 1ujo h VAL 50 N 0.00 0.09 0.23 1.96 3.04 -1.48 0.39 116.25 120.47 1ujo h VAL 50 Ca 0.00 -0.01 0.01 0.00 -1.01 0.00 0.00 66.70 65.69 1ujo h VAL 50 Cb 0.00 0.06 -0.04 0.00 -2.01 0.00 0.00 31.29 29.30 1ujo h VAL 50 CO 0.00 0.00 -0.47 0.78 -1.01 0.00 0.00 177.57 176.88 1ujo h ASN 51 N 0.02 -1.35 -0.98 3.17 2.35 -1.26 -1.47 115.58 116.07 1ujo h ASN 51 Ca 0.52 0.14 0.21 0.00 -0.55 0.00 0.00 56.30 56.62 1ujo h ASN 51 Cb 0.98 0.49 -0.18 0.00 0.05 0.00 0.00 38.32 39.65 1ujo h ASN 51 CO -0.89 -0.55 -0.19 0.77 -1.65 0.00 0.00 177.43 174.91 1ujo h SER 52 N -0.77 -0.83 0.00 5.81 4.64 0.30 -2.42 113.55 120.27 1ujo h SER 52 Ca -0.01 0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 1ujo h SER 52 Cb 0.75 0.58 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1ujo h SER 52 CO -0.20 -0.33 0.00 0.18 -0.87 0.00 0.00 176.83 175.61 1ujo n LEU 53 N -5.59 0.00 -4.22 5.97 4.77 -0.62 -4.69 117.00 112.62 1ujo n LEU 53 Ca 0.17 0.45 -0.47 0.00 -0.03 0.00 0.00 56.01 56.12 1ujo n LEU 53 Cb 0.54 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1ujo n LEU 53 CO -0.10 0.00 0.07 -1.22 -1.33 0.00 0.00 177.39 174.81 1ujo n TYR 54 N -0.56 -0.31 -1.34 -1.77 4.01 -0.79 -4.81 117.16 111.58 1ujo n TYR 54 Ca 0.00 0.94 -0.24 0.00 -0.16 0.00 0.00 57.90 58.44 1ujo n TYR 54 Cb 0.00 -1.89 0.18 0.00 -0.31 0.00 0.00 39.34 37.32 1ujo n TYR 54 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ujo n PRO 55 N 1.02 -1.86 -1.97 -0.72 -0.04 -1.26 -4.59 135.00 125.59 1ujo n PRO 55 Ca 0.17 -1.51 -0.41 0.00 -0.04 0.00 0.00 63.50 61.71 1ujo n PRO 55 Cb 0.22 -1.19 -0.02 0.00 -0.04 0.00 0.00 33.50 32.47 1ujo n PRO 55 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1ujo s GLU 56 N -5.14 4.24 0.00 0.54 4.04 -1.26 -1.56 118.70 119.56 1ujo s GLU 56 Ca 0.58 2.37 0.00 0.00 0.04 0.00 0.00 54.97 57.96 1ujo s GLU 56 Cb -0.04 -3.06 0.00 0.00 0.02 0.00 0.00 34.13 31.05 1ujo s GLU 56 CO 0.43 -0.41 0.00 0.41 -1.84 0.00 0.00 175.26 173.84 1ujo n GLY 57 N 1.55 2.57 0.08 -3.83 0.00 -1.26 -4.76 105.19 99.55 1ujo n GLY 57 Ca 0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.00 1ujo n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujo n SER 58 N 0.00 0.21 -4.04 1.61 2.88 -0.60 -4.95 113.62 108.73 1ujo n SER 58 Ca 0.00 0.00 -0.57 0.00 -1.33 0.00 0.00 58.87 56.97 1ujo n SER 58 Cb 0.00 1.14 -0.11 0.00 -0.75 0.00 0.00 64.21 64.49 1ujo n SER 58 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1ujo n LYS 59 N -2.64 0.00 0.06 -1.46 0.00 -1.02 -4.81 118.16 108.29 1ujo n LYS 59 Ca -0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 57.97 1ujo n LYS 59 Cb 1.03 -1.43 -0.05 0.00 -0.00 0.00 0.00 35.03 34.59 1ujo n LYS 59 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1ujo h PRO 60 N 8.52 -0.25 -7.28 -1.58 0.13 -1.92 -3.46 132.00 126.16 1ujo h PRO 60 Ca -0.10 0.02 -0.50 0.00 -0.87 0.00 0.00 66.00 64.55 1ujo h PRO 60 Cb 1.35 0.06 0.08 0.00 0.13 0.00 0.00 31.00 32.61 1ujo h PRO 60 CO 1.03 0.03 0.37 0.08 -0.23 0.00 0.00 178.00 179.29 1ujo s VAL 61 N -2.80 3.98 -0.35 1.56 1.01 -1.26 -5.03 120.40 117.50 1ujo s VAL 61 Ca -0.08 0.76 0.03 0.00 0.00 0.00 0.00 61.98 62.69 1ujo s VAL 61 Cb 0.00 -3.42 0.10 0.00 0.00 0.00 0.00 36.38 33.07 1ujo s VAL 61 CO 0.29 -0.72 0.08 -0.54 0.00 0.00 0.00 175.10 174.20 1ujo s LYS 62 N -4.64 1.36 -0.25 2.72 1.02 -1.26 -4.96 119.74 113.73 1ujo s LYS 62 Ca 0.60 -1.78 -0.29 0.00 0.02 0.00 0.00 55.97 54.52 1ujo s LYS 62 Cb -0.14 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.19 1ujo s LYS 62 CO 0.47 -0.97 1.67 0.08 -0.92 0.00 0.00 175.35 175.69 1ujo s VAL 63 N 0.94 3.62 0.60 3.17 1.01 -1.26 -4.97 120.40 123.50 1ujo s VAL 63 Ca 0.11 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 62.62 1ujo s VAL 63 Cb -0.19 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 1ujo s VAL 63 CO -0.11 -0.34 1.05 -2.16 0.00 0.00 0.00 175.10 173.55 1ujo s PRO 64 N 4.97 3.35 0.14 2.72 0.04 -1.26 -4.97 135.00 140.00 1ujo s PRO 64 Ca 0.74 1.15 -0.28 0.00 0.04 0.00 0.00 61.00 62.65 1ujo s PRO 64 Cb -0.24 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1ujo s PRO 64 CO 0.31 -0.78 1.58 0.93 0.04 0.00 0.00 177.00 179.08 1ujo h GLU 65 N 0.36 -0.42 -6.19 4.56 5.08 -2.07 -3.41 114.58 112.49 1ujo h GLU 65 Ca -0.46 0.03 -0.49 0.00 -1.00 0.00 0.00 59.36 57.43 1ujo h GLU 65 Cb 1.21 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 1ujo h GLU 65 CO 0.58 -0.28 -0.40 0.54 -1.00 0.00 0.00 179.01 178.45 1ujo s ASN 66 N -4.94 6.33 0.93 1.42 4.22 -1.26 -5.11 114.94 116.54 1ujo s ASN 66 Ca -0.15 0.18 -0.13 0.00 -2.14 0.00 0.00 52.86 50.62 1ujo s ASN 66 Cb 0.10 -1.91 0.15 0.00 1.28 0.00 0.00 41.25 40.87 1ujo s ASN 66 CO 0.65 -0.06 1.15 -2.16 -2.04 0.00 0.00 177.10 174.64 1ujo s PRO 67 N -3.74 0.96 -0.06 3.55 0.04 -1.26 -5.03 135.00 129.47 1ujo s PRO 67 Ca 0.35 0.22 -0.11 0.00 0.04 0.00 0.00 61.00 61.50 1ujo s PRO 67 Cb -0.10 -1.83 -0.07 0.00 0.04 0.00 0.00 34.50 32.55 1ujo s PRO 67 CO 0.30 -2.30 0.44 -1.00 0.04 0.00 0.00 177.00 174.47 1ujo h PRO 68 N -1.57 -0.31 0.00 0.56 0.13 -1.93 -3.47 132.00 125.41 1ujo h PRO 68 Ca -0.50 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1ujo h PRO 68 Cb 1.32 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1ujo h PRO 68 CO 0.59 -0.15 0.00 0.45 -0.23 0.00 0.00 178.00 178.66 1ujo n SER 69 N -4.99 0.00 -4.77 1.44 2.88 -1.26 -4.83 113.62 102.09 1ujo n SER 69 Ca -0.05 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.08 1ujo n SER 69 Cb 0.15 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.61 1ujo n SER 69 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1ujo n MET 70 N 0.00 2.69 0.00 -1.46 2.81 -1.26 -4.69 117.12 115.21 1ujo n MET 70 Ca 0.00 0.94 0.00 0.00 -1.81 0.00 0.00 57.70 56.83 1ujo n MET 70 Cb 0.00 -2.68 0.00 0.00 -0.71 0.00 0.00 33.22 29.83 1ujo n MET 70 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ujo n VAL 71 N 0.59 0.00 -0.30 2.03 0.31 -1.26 0.18 118.33 119.87 1ujo n VAL 71 Ca 0.02 1.30 0.30 0.00 -0.01 0.00 0.00 64.34 65.95 1ujo n VAL 71 Cb 0.39 -2.02 0.56 0.00 -0.91 0.00 0.00 33.84 31.86 1ujo n VAL 71 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1ujo n PHE 72 N -1.85 1.10 0.25 3.52 3.72 -1.26 -0.04 117.46 122.90 1ujo n PHE 72 Ca 0.00 1.11 -0.10 0.00 -0.05 0.00 0.00 57.45 58.41 1ujo n PHE 72 Cb 0.00 -1.52 -0.05 0.00 -0.94 0.00 0.00 39.48 36.97 1ujo n PHE 72 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ujo h LYS 73 N 0.00 -0.65 -0.62 -1.08 1.79 -1.53 -2.66 116.57 111.82 1ujo h LYS 73 Ca 0.80 0.04 0.09 0.00 -2.18 0.00 0.00 60.65 59.40 1ujo h LYS 73 Cb 2.13 0.15 -0.11 0.00 -1.58 0.00 0.00 32.23 32.82 1ujo h LYS 73 CO -0.73 -0.43 -0.46 1.96 -1.08 0.00 0.00 179.45 178.71 1ujo h GLN 74 N -1.00 -0.21 -0.92 3.15 4.20 0.56 0.43 115.11 121.32 1ujo h GLN 74 Ca -0.07 0.01 0.25 0.00 0.06 0.00 0.00 58.65 58.91 1ujo h GLN 74 Cb 0.51 0.05 -0.14 0.00 0.30 0.00 0.00 27.48 28.20 1ujo h GLN 74 CO 0.11 -0.14 0.37 0.52 -0.67 0.00 0.00 178.83 179.02 1ujo h MET 75 N -0.22 0.29 -0.11 1.46 2.86 -0.65 0.19 114.93 118.74 1ujo h MET 75 Ca 0.17 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.78 1ujo h MET 75 Cb 0.56 -0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.15 1ujo h MET 75 CO -0.72 0.19 0.01 0.93 1.06 0.00 0.00 176.91 178.38 1ujo h GLU 76 N 0.29 0.20 -0.87 1.72 4.39 0.10 -1.85 114.58 118.55 1ujo h GLU 76 Ca 0.60 -0.06 0.16 0.00 0.34 0.00 0.00 59.36 60.40 1ujo h GLU 76 Cb 1.24 -0.02 -0.16 0.00 -0.10 0.00 0.00 28.75 29.71 1ujo h GLU 76 CO -0.61 0.42 -0.29 0.37 -1.16 0.00 0.00 179.01 177.74 1ujo h GLN 77 N -0.05 -0.03 -0.04 2.33 5.75 0.18 0.48 115.11 123.73 1ujo h GLN 77 Ca 0.03 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 1ujo h GLN 77 Cb 0.33 0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 1ujo h GLN 77 CO 0.00 -0.02 0.01 0.28 -2.65 0.00 0.00 178.83 176.46 1ujo h VAL 78 N -0.03 1.18 -0.76 2.39 2.07 -1.35 -2.82 116.25 116.93 1ujo h VAL 78 Ca 0.37 -0.53 0.17 0.00 0.82 0.00 0.00 66.70 67.54 1ujo h VAL 78 Cb 0.62 1.45 -0.13 0.00 -1.52 0.00 0.00 31.29 31.71 1ujo h VAL 78 CO -0.90 0.14 -0.03 0.00 0.02 0.00 0.00 177.57 176.80 1ujo h ALA 79 N 0.81 0.74 -0.90 1.67 0.00 0.44 0.92 119.26 122.94 1ujo h ALA 79 Ca 0.01 0.25 0.17 0.00 0.00 0.00 0.00 54.91 55.35 1ujo h ALA 79 Cb 0.22 0.45 -0.10 0.00 0.00 0.00 0.00 17.79 18.36 1ujo h ALA 79 CO -0.00 -0.43 0.48 1.96 0.00 0.00 0.00 179.25 181.26 1ujo h GLN 80 N 0.08 0.61 -0.00 0.00 4.20 -0.00 0.01 115.11 120.01 1ujo h GLN 80 Ca 0.41 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 59.02 1ujo h GLN 80 Cb 0.71 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.35 1ujo h GLN 80 CO -0.69 0.41 -0.25 0.35 -0.67 0.00 0.00 178.83 177.98 1ujo h PHE 81 N 0.63 0.25 -0.26 2.96 3.57 0.60 -2.81 116.94 121.89 1ujo h PHE 81 Ca 0.51 -0.13 0.03 0.00 3.53 0.00 0.00 57.97 61.91 1ujo h PHE 81 Cb 0.78 -0.03 -0.06 0.00 2.79 0.00 0.00 35.95 39.44 1ujo h PHE 81 CO -0.07 0.94 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.46 1ujo h LEU 82 N -0.51 -1.37 -0.93 0.59 3.38 0.13 1.57 115.31 118.16 1ujo h LEU 82 Ca -0.03 0.18 0.17 0.00 0.09 0.00 0.00 57.88 58.29 1ujo h LEU 82 Cb 1.00 0.56 -0.10 0.00 0.09 0.00 0.00 40.66 42.21 1ujo h LEU 82 CO 0.05 -0.31 0.53 0.50 0.09 0.00 0.00 178.44 179.29 1ujo h LYS 83 N -0.33 0.67 -0.63 1.13 3.64 -1.15 0.29 116.57 120.19 1ujo h LYS 83 Ca 0.05 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1ujo h LYS 83 Cb 0.46 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.10 1ujo h LYS 83 CO -0.42 0.44 0.31 0.00 -2.27 0.00 0.00 179.45 177.51 1ujo h ALA 84 N 1.61 0.81 -0.77 5.00 0.00 -0.25 -2.12 119.26 123.54 1ujo h ALA 84 Ca 0.53 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.44 1ujo h ALA 84 Cb 0.79 -0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1ujo h ALA 84 CO -0.38 0.36 0.35 0.00 0.00 0.00 0.00 179.25 179.58 1ujo h ALA 85 N 1.14 1.09 -0.03 0.00 0.00 0.57 -0.81 119.26 121.22 1ujo h ALA 85 Ca 0.22 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.23 1ujo h ALA 85 Cb 0.10 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1ujo h ALA 85 CO -0.03 -0.13 -0.07 1.49 0.00 0.00 0.00 179.25 180.51 1ujo h GLU 86 N 0.54 -0.11 -0.70 0.00 4.22 -0.69 -2.21 114.58 115.63 1ujo h GLU 86 Ca 0.41 0.01 0.15 0.00 0.08 0.00 0.00 59.36 60.01 1ujo h GLU 86 Cb 0.56 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.71 1ujo h GLU 86 CO -0.35 -0.07 0.00 -0.44 -2.18 0.00 0.00 179.01 175.96 1ujo h ASP 87 N -0.11 -0.32 -1.29 1.04 5.19 -0.77 0.70 116.42 120.85 1ujo h ASP 87 Ca 0.04 0.18 0.38 0.00 -0.62 0.00 0.00 57.03 57.01 1ujo h ASP 87 Cb 0.17 0.32 -0.09 0.00 0.18 0.00 0.00 39.33 39.91 1ujo h ASP 87 CO -0.10 -0.15 0.88 0.22 -3.12 0.00 0.00 179.24 176.97 1ujo h TYR 88 N 0.11 0.33 0.00 4.55 3.20 -0.71 -3.43 116.97 121.02 1ujo h TYR 88 Ca 0.38 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.26 1ujo h TYR 88 Cb 0.64 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.82 1ujo h TYR 88 CO -0.40 -0.04 0.00 0.41 -1.64 0.00 0.00 178.16 176.49 1ujo n GLY 89 N -1.64 0.84 3.68 1.82 0.00 0.24 -5.03 105.19 105.09 1ujo n GLY 89 Ca 0.31 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.98 1ujo n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ujo s VAL 90 N -1.58 4.57 0.92 1.61 1.01 -0.66 -5.03 120.40 121.24 1ujo s VAL 90 Ca 0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 61.98 61.72 1ujo s VAL 90 Cb 0.00 -2.98 0.14 0.00 0.00 0.00 0.00 36.38 33.54 1ujo s VAL 90 CO 0.00 0.56 1.12 0.27 0.00 0.00 0.00 175.10 177.05 1ujo s ILE 91 N -0.43 2.12 -2.14 2.22 -4.36 -1.26 -4.54 121.20 112.80 1ujo s ILE 91 Ca 0.09 0.04 0.16 0.00 -0.26 0.00 0.00 60.65 60.68 1ujo s ILE 91 Cb -0.12 -2.72 0.39 0.00 1.25 0.00 0.00 42.46 41.25 1ujo s ILE 91 CO 0.02 -0.05 1.43 0.29 0.24 0.00 0.00 174.94 176.87 1ujo n LYS 92 N -3.84 1.63 -0.00 0.37 5.02 -1.26 -3.24 118.16 116.85 1ujo n LYS 92 Ca 0.06 -0.97 0.09 0.00 -2.02 0.00 0.00 58.31 55.47 1ujo n LYS 92 Cb 0.58 -1.32 -0.11 0.00 -0.02 0.00 0.00 35.03 34.17 1ujo n LYS 92 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ujo n THR 93 N 0.22 0.00 0.34 -0.18 -1.04 -1.26 -4.25 114.28 108.10 1ujo n THR 93 Ca 0.13 -0.14 0.07 0.00 -2.04 0.00 0.00 64.05 62.07 1ujo n THR 93 Cb 0.27 0.85 -0.09 0.00 -1.82 0.00 0.00 70.33 69.54 1ujo n THR 93 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ujo n ASP 94 N -1.54 1.19 -4.81 8.00 8.00 -1.20 -4.99 116.55 121.20 1ujo n ASP 94 Ca 0.02 -0.43 -0.33 0.00 0.71 0.00 0.00 54.79 54.76 1ujo n ASP 94 Cb 0.31 1.30 -0.02 0.00 -0.02 0.00 0.00 41.12 42.69 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ujo s MET 95 N -2.60 3.69 0.55 -1.24 -1.94 -1.20 -1.96 119.30 114.60 1ujo s MET 95 Ca 0.00 1.19 0.04 0.00 -1.71 0.00 0.00 55.69 55.21 1ujo s MET 95 Cb 0.10 -2.09 0.04 0.00 2.01 0.00 0.00 34.83 34.89 1ujo s MET 95 CO 0.57 -0.51 0.35 1.97 -0.01 0.00 0.00 175.02 177.39 1ujo n PHE 96 N -1.48 -0.28 -3.93 -0.03 -1.74 -1.26 -4.90 117.46 103.83 1ujo n PHE 96 Ca 0.08 -2.40 -0.35 0.00 -0.56 0.00 0.00 57.45 54.22 1ujo n PHE 96 Cb 0.53 -0.44 -0.10 0.00 1.52 0.00 0.00 39.48 40.99 1ujo n PHE 96 CO 0.00 0.00 0.00 -0.65 -0.56 0.00 0.00 176.76 175.55 1ujo s GLN 97 N -4.23 3.97 0.27 3.97 -1.52 -1.26 -4.98 119.66 115.89 1ujo s GLN 97 Ca 0.27 -0.34 0.05 0.00 -1.95 0.00 0.00 55.36 53.39 1ujo s GLN 97 Cb -0.02 -3.27 0.75 0.00 -0.22 0.00 0.00 33.01 30.25 1ujo s GLN 97 CO 0.17 0.22 1.32 2.41 -0.25 0.00 0.00 175.29 179.15 1ujo n THR 98 N 3.72 -0.35 0.16 -0.19 -1.04 -1.26 0.19 114.28 115.50 1ujo n THR 98 Ca -0.16 1.82 -0.14 0.00 -2.04 0.00 0.00 64.05 63.53 1ujo n THR 98 Cb 0.52 -2.72 -0.07 0.00 -1.82 0.00 0.00 70.33 66.24 1ujo n THR 98 CO 0.00 0.00 0.00 1.62 -0.64 0.00 0.00 175.07 176.05 1ujo h VAL 99 N 0.00 0.66 -1.66 12.58 3.04 -1.95 1.62 116.25 130.54 1ujo h VAL 99 Ca 0.55 0.00 0.48 0.00 -1.01 0.00 0.00 66.70 66.73 1ujo h VAL 99 Cb 1.23 0.66 -0.07 0.00 -2.01 0.00 0.00 31.29 31.11 1ujo h VAL 99 CO -0.76 0.00 1.30 0.44 -1.01 0.00 0.00 177.57 177.54 1ujo h ASP 100 N -0.38 0.00 0.00 3.17 3.32 0.18 1.49 116.42 124.19 1ujo h ASP 100 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ujo h ASP 100 Cb 0.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1ujo h ASP 100 CO 0.01 0.00 -0.78 -0.11 -1.72 0.00 0.00 179.24 176.64 1ujo n LEU 101 N -3.80 1.59 -0.12 1.55 7.94 -0.28 -1.90 117.00 121.98 1ujo n LEU 101 Ca 0.37 0.31 -0.07 0.00 -1.11 0.00 0.00 56.01 55.51 1ujo n LEU 101 Cb 1.81 -0.71 -0.01 0.00 0.53 0.00 0.00 43.42 45.04 1ujo n LEU 101 CO 0.39 -0.33 0.65 0.22 -1.11 0.00 0.00 177.39 177.22 1ujo h TYR 102 N -0.83 -0.83 -0.53 1.96 3.20 0.35 0.16 116.97 120.46 1ujo h TYR 102 Ca 0.00 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1ujo h TYR 102 Cb 0.78 0.43 0.00 0.00 1.54 0.00 0.00 36.73 39.48 1ujo h TYR 102 CO -0.33 -0.37 0.00 0.39 -1.64 0.00 0.00 178.16 176.21 1ujo n GLU 103 N -5.41 4.23 -2.38 1.82 -0.58 0.50 -4.90 120.64 113.91 1ujo n GLU 103 Ca 0.01 -2.74 -0.02 0.00 -0.42 0.00 0.00 57.16 54.00 1ujo n GLU 103 Cb 0.33 -2.10 -0.00 0.00 -0.57 0.00 0.00 31.44 29.10 1ujo n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ujo n GLY 104 N 0.67 -0.44 0.33 0.62 0.00 0.57 -4.69 105.19 102.25 1ujo n GLY 104 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.35 1ujo n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujo h LYS 105 N -0.04 0.71 -1.87 1.61 1.57 -1.33 -3.37 116.57 113.85 1ujo h LYS 105 Ca -0.03 -0.04 -0.24 0.00 -1.87 0.00 0.00 60.65 58.47 1ujo h LYS 105 Cb 0.91 -0.16 -0.30 0.00 0.08 0.00 0.00 32.23 32.75 1ujo h LYS 105 CO 0.05 0.47 -0.57 0.34 -0.57 0.00 0.00 179.45 179.17 1ujo s ASP 106 N -5.47 0.83 0.17 0.86 -1.08 -0.89 -4.96 116.67 106.14 1ujo s ASP 106 Ca -0.12 -0.48 -0.09 0.00 -0.52 0.00 0.00 52.55 51.33 1ujo s ASP 106 Cb 0.23 0.89 0.03 0.00 -1.46 0.00 0.00 42.92 42.61 1ujo s ASP 106 CO 0.79 -0.36 1.57 0.24 0.52 0.00 0.00 175.17 177.92 1ujo h MET 107 N 8.20 1.00 -0.47 4.34 2.86 -1.73 -3.17 114.93 125.96 1ujo h MET 107 Ca -0.11 -0.41 0.07 0.00 -2.06 0.00 0.00 59.70 57.19 1ujo h MET 107 Cb 1.11 -0.04 -0.09 0.00 0.06 0.00 0.00 31.60 32.63 1ujo h MET 107 CO 0.29 1.09 -0.48 0.00 1.06 0.00 0.00 176.91 178.86 1ujo h ALA 108 N 0.90 -0.54 -0.28 6.32 0.00 -1.95 -0.84 119.26 122.88 1ujo h ALA 108 Ca 0.12 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ujo h ALA 108 Cb 0.77 1.01 -0.07 0.00 0.00 0.00 0.00 17.79 19.50 1ujo h ALA 108 CO 0.06 -0.93 -0.53 0.00 0.00 0.00 0.00 179.25 177.86 1ujo h ALA 109 N 0.30 -0.81 -0.96 0.00 0.00 -1.94 0.83 119.26 116.67 1ujo h ALA 109 Ca 0.12 -0.03 0.37 0.00 0.00 0.00 0.00 54.91 55.38 1ujo h ALA 109 Cb 0.58 1.06 -0.18 0.00 0.00 0.00 0.00 17.79 19.26 1ujo h ALA 109 CO -0.62 -1.04 0.39 0.28 0.00 0.00 0.00 179.25 178.26 1ujo n VAL 110 N -5.25 -0.41 -0.04 0.00 0.31 -0.45 0.10 118.33 112.60 1ujo n VAL 110 Ca -0.04 2.00 -0.14 0.00 -0.01 0.00 0.00 64.34 66.15 1ujo n VAL 110 Cb 0.34 -3.16 -0.11 0.00 -0.91 0.00 0.00 33.84 30.00 1ujo n VAL 110 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1ujo h GLN 111 N 0.00 0.03 -1.52 5.55 4.20 0.10 -2.88 115.11 120.61 1ujo h GLN 111 Ca 0.76 -0.03 0.44 0.00 0.06 0.00 0.00 58.65 59.88 1ujo h GLN 111 Cb 1.92 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 29.64 1ujo h GLN 111 CO -0.79 0.73 1.08 -0.09 -0.67 0.00 0.00 178.83 179.10 1ujo h ARG 112 N -0.65 0.02 0.12 1.46 2.43 0.71 0.67 114.38 119.13 1ujo h ARG 112 Ca -0.00 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1ujo h ARG 112 Cb 0.74 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1ujo h ARG 112 CO 0.01 0.01 -0.06 1.15 -1.51 0.00 0.00 179.97 179.57 1ujo h THR 113 N 0.02 0.00 -0.67 0.20 2.02 -0.37 -3.26 112.91 110.84 1ujo h THR 113 Ca 0.74 -0.76 0.14 0.00 0.77 0.00 0.00 66.41 67.30 1ujo h THR 113 Cb 2.88 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 69.19 1ujo h THR 113 CO -0.05 0.00 0.12 -0.07 0.37 0.00 0.00 175.52 175.89 1ujo h LEU 114 N -0.92 -0.07 -1.00 2.58 3.38 -0.78 0.29 115.31 118.79 1ujo h LEU 114 Ca -0.02 0.14 0.33 0.00 0.09 0.00 0.00 57.88 58.42 1ujo h LEU 114 Cb 0.12 0.20 -0.15 0.00 0.09 0.00 0.00 40.66 40.93 1ujo h LEU 114 CO 0.03 -0.04 0.57 0.24 0.09 0.00 0.00 178.44 179.32 1ujo h MET 115 N 0.23 0.29 0.00 1.13 2.86 0.13 0.29 114.93 119.86 1ujo h MET 115 Ca 0.36 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.98 1ujo h MET 115 Cb 0.59 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 1ujo h MET 115 CO -0.49 0.19 -0.03 0.00 1.06 0.00 0.00 176.91 177.65 1ujo h ALA 116 N 1.86 0.00 -0.99 6.32 0.00 -0.59 -3.16 119.26 122.71 1ujo h ALA 116 Ca 0.74 -0.35 0.25 0.00 0.00 0.00 0.00 54.91 55.55 1ujo h ALA 116 Cb 1.72 0.02 -0.18 0.00 0.00 0.00 0.00 17.79 19.34 1ujo h ALA 116 CO -0.62 0.02 -0.06 1.25 0.00 0.00 0.00 179.25 179.84 1ujo h LEU 117 N -1.00 -0.62 0.27 0.00 5.85 0.87 0.25 115.31 120.93 1ujo h LEU 117 Ca -0.01 0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 1ujo h LEU 117 Cb 0.68 0.53 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 1ujo h LEU 117 CO -0.00 -0.35 -0.18 1.23 -0.34 0.00 0.00 178.44 178.80 1ujo h GLY 118 N 0.01 -0.73 -0.70 3.75 0.00 -0.61 -1.66 103.07 103.13 1ujo h GLY 118 Ca 0.56 0.31 0.23 0.00 0.00 0.00 0.00 47.33 48.43 1ujo h GLY 118 CO -0.95 -0.25 0.05 0.23 0.00 0.00 0.00 176.54 175.61 1ujo h SER 119 N -0.43 -0.37 -0.86 0.19 0.87 -1.02 1.51 113.55 113.43 1ujo h SER 119 Ca -0.04 0.24 0.14 0.00 -1.23 0.00 0.00 61.79 60.91 1ujo h SER 119 Cb 0.35 0.41 -0.09 0.00 -0.44 0.00 0.00 62.40 62.63 1ujo h SER 119 CO 0.03 -0.27 0.46 -0.07 -0.53 0.00 0.00 176.83 176.45 1ujo h LEU 120 N 0.07 0.58 -0.72 2.23 3.38 -0.34 1.60 115.31 122.12 1ujo h LEU 120 Ca 0.53 0.08 -0.14 0.00 0.09 0.00 0.00 57.88 58.45 1ujo h LEU 120 Cb 1.04 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1ujo h LEU 120 CO -0.80 0.26 -0.58 0.00 0.09 0.00 0.00 178.44 177.40 1ujo h ALA 121 N 1.55 0.92 0.13 1.53 0.00 0.29 -3.10 119.26 120.57 1ujo h ALA 121 Ca 0.46 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1ujo h ALA 121 Cb 0.62 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1ujo h ALA 121 CO -0.34 0.72 -0.06 0.28 0.00 0.00 0.00 179.25 179.84 1ujo h VAL 122 N 0.14 1.02 -1.27 0.00 2.07 0.34 -1.20 116.25 117.34 1ujo h VAL 122 Ca -0.00 -1.11 0.42 0.00 0.82 0.00 0.00 66.70 66.83 1ujo h VAL 122 Cb 1.06 1.66 -0.13 0.00 -1.52 0.00 0.00 31.29 32.36 1ujo h VAL 122 CO 0.09 0.24 0.81 0.74 0.02 0.00 0.00 177.57 179.47 1ujo h THR 123 N -0.75 0.15 0.05 2.57 2.02 0.21 0.17 112.91 117.34 1ujo h THR 123 Ca -0.02 -0.04 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1ujo h THR 123 Cb 0.53 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 1ujo h THR 123 CO 0.03 0.02 -0.03 0.11 0.37 0.00 0.00 175.52 176.02 1ujo h LYS 124 N 0.11 -0.07 -7.07 6.66 1.57 -1.47 -3.47 116.57 112.84 1ujo h LYS 124 Ca 0.80 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.97 1ujo h LYS 124 Cb 2.45 0.02 -0.22 0.00 0.08 0.00 0.00 32.23 34.56 1ujo h LYS 124 CO -0.43 0.31 -0.96 0.27 -0.57 0.00 0.00 179.45 178.07 1ujo n ASN 125 N -4.78 0.65 -0.12 0.86 0.23 0.61 -4.83 115.26 107.89 1ujo n ASN 125 Ca -0.05 -1.26 -0.22 0.00 -0.53 0.00 0.00 54.58 52.52 1ujo n ASN 125 Cb 0.20 -1.67 -0.08 0.00 -2.08 0.00 0.00 39.78 36.16 1ujo n ASN 125 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1ujo n ASP 126 N -2.86 1.92 0.00 0.53 -0.08 -1.26 -4.98 116.55 109.82 1ujo n ASP 126 Ca -0.29 0.38 0.00 0.00 -1.51 0.00 0.00 54.79 53.37 1ujo n ASP 126 Cb 0.68 -0.84 0.00 0.00 2.34 0.00 0.00 41.12 43.30 1ujo n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ujo n GLY 127 N 1.37 -1.32 0.97 0.27 0.00 -1.26 -5.05 105.19 100.17 1ujo n GLY 127 Ca -0.37 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ujo n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ujo n ASN 128 N 0.00 0.67 -4.66 1.61 5.03 -1.26 -5.02 115.26 111.62 1ujo n ASN 128 Ca 0.00 0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.03 1ujo n ASN 128 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 1ujo n ASN 128 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ujo s TYR 129 N -1.79 1.96 -0.03 3.10 6.14 -1.26 -4.64 117.35 120.82 1ujo s TYR 129 Ca 0.00 0.16 -0.24 0.00 0.64 0.00 0.00 57.07 57.63 1ujo s TYR 129 Cb 0.00 -3.94 -0.17 0.00 0.42 0.00 0.00 41.96 38.27 1ujo s TYR 129 CO 0.00 -3.96 1.08 0.00 0.64 0.00 0.00 175.55 173.31 1ujo h ARG 130 N 9.53 -0.20 0.00 4.97 2.47 -1.95 -3.45 114.38 125.75 1ujo h ARG 130 Ca -0.40 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.33 1ujo h ARG 130 Cb 1.18 0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.55 1ujo h ARG 130 CO 0.95 0.23 0.00 0.41 0.56 0.00 0.00 179.97 182.12 1ujo n GLY 131 N 0.27 -2.21 3.90 0.04 0.00 -1.26 -5.01 105.19 100.92 1ujo n GLY 131 Ca -0.08 -1.17 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 1ujo n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ujo s ASP 132 N -1.74 6.50 0.47 1.61 1.11 -1.26 -4.99 116.67 118.37 1ujo s ASP 132 Ca 0.00 0.67 0.26 0.00 0.18 0.00 0.00 52.55 53.66 1ujo s ASP 132 Cb 0.00 -2.12 0.79 0.00 1.07 0.00 0.00 42.92 42.66 1ujo s ASP 132 CO 0.00 -0.02 1.77 1.55 1.18 0.00 0.00 175.17 179.64 1ujo h PRO 133 N 2.50 0.00 -1.88 8.23 0.13 -1.94 -3.23 132.00 135.80 1ujo h PRO 133 Ca -0.47 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.31 1ujo h PRO 133 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 1ujo h PRO 133 CO 0.70 0.08 0.20 0.09 -0.23 0.00 0.00 178.00 178.85 1ujo n ASN 134 N -3.16 6.12 -0.04 1.44 3.02 -1.26 -3.71 115.26 117.68 1ujo n ASN 134 Ca 0.02 -2.95 -0.05 0.00 -0.03 0.00 0.00 54.58 51.56 1ujo n ASN 134 Cb 0.45 -1.22 -0.03 0.00 -0.61 0.00 0.00 39.78 38.36 1ujo n ASN 134 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1ujo n TRP 135 N 1.15 0.00 -3.38 3.10 7.02 -1.22 -4.87 117.44 119.23 1ujo n TRP 135 Ca 0.39 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.61 1ujo n TRP 135 Cb 0.63 -0.28 -0.09 0.00 -2.42 0.00 0.00 31.31 29.15 1ujo n TRP 135 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1ujo n PHE 136 N -2.72 0.06 -3.55 -5.99 3.01 -1.24 -5.07 117.46 101.95 1ujo n PHE 136 Ca -0.13 -3.56 -0.40 0.00 1.01 0.00 0.00 57.45 54.37 1ujo n PHE 136 Cb 0.64 -0.10 -0.11 0.00 -0.01 0.00 0.00 39.48 39.91 1ujo n PHE 136 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1ujo s MET 137 N -0.71 3.51 -0.30 -1.08 -1.94 -1.26 -3.54 119.30 113.97 1ujo s MET 137 Ca 0.33 -0.63 -0.10 0.00 -1.71 0.00 0.00 55.69 53.58 1ujo s MET 137 Cb 0.08 -3.77 0.16 0.00 2.01 0.00 0.00 34.83 33.32 1ujo s MET 137 CO -0.15 -0.42 0.81 0.21 -0.01 0.00 0.00 175.02 175.46 1ujo s LYS 138 N 1.71 0.42 -0.43 2.03 2.36 -1.26 -5.10 119.74 119.47 1ujo s LYS 138 Ca 0.06 0.92 -0.07 0.00 -2.55 0.00 0.00 55.97 54.33 1ujo s LYS 138 Cb -0.17 0.54 0.10 0.00 -1.05 0.00 0.00 37.83 37.25 1ujo s LYS 138 CO 0.10 -0.28 0.27 0.45 1.55 0.00 0.00 175.35 177.44 1ujo s SER 139 N 2.76 5.52 0.00 1.43 0.15 -1.26 -4.93 113.70 117.36 1ujo s SER 139 Ca 0.03 -1.82 0.00 0.00 0.70 0.00 0.00 55.95 54.86 1ujo s SER 139 Cb -0.11 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1ujo s SER 139 CO -0.18 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.28 1ujo n GLY 140 N 4.81 3.20 2.39 9.45 0.00 -1.26 -4.94 105.19 118.83 1ujo n GLY 140 Ca -0.07 -1.89 -0.24 0.00 0.00 0.00 0.00 46.02 43.82 1ujo n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujo n PRO 141 N 0.00 2.46 -4.06 1.61 -0.04 -1.26 -4.79 135.00 128.92 1ujo n PRO 141 Ca 0.00 -1.52 -0.32 0.00 -0.04 0.00 0.00 63.50 61.63 1ujo n PRO 141 Cb 0.00 -2.42 -0.16 0.00 -0.04 0.00 0.00 33.50 30.88 1ujo n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujo s SER 142 N 2.72 3.18 -0.21 3.54 0.15 -1.26 -4.88 113.70 116.93 1ujo s SER 142 Ca 0.52 -0.72 -0.14 0.00 0.70 0.00 0.00 55.95 56.31 1ujo s SER 142 Cb 0.16 -1.35 0.02 0.00 -1.71 0.00 0.00 66.02 63.14 1ujo s SER 142 CO -0.03 -0.07 0.25 -1.54 1.20 0.00 0.00 173.24 173.05 1ujo n SER 143 N 4.66 -6.51 0.00 5.45 3.41 -1.26 -5.13 113.62 114.24 1ujo n SER 143 Ca -0.18 0.36 0.05 0.00 -0.26 0.00 0.00 58.87 58.84 1ujo n SER 143 Cb 0.48 -2.32 0.28 0.00 -0.26 0.00 0.00 64.21 62.39 1ujo n SER 143 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49