#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 -0.83 -4.09 1.61 7.64 -1.26 -5.02 113.62 111.68 1ujo n SER 2 Ca 0.00 0.51 -0.36 0.00 1.01 0.00 0.00 58.87 60.03 1ujo n SER 2 Cb 0.00 0.96 -0.09 0.00 -1.01 0.00 0.00 64.21 64.06 1ujo n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujo s SER 3 N -4.47 5.25 -0.57 6.43 0.15 -1.26 -4.94 113.70 114.29 1ujo s SER 3 Ca 0.00 -2.98 0.06 0.00 0.70 0.00 0.00 55.95 53.73 1ujo s SER 3 Cb 0.00 -1.85 0.31 0.00 -1.71 0.00 0.00 66.02 62.77 1ujo s SER 3 CO 0.00 -0.34 0.84 0.61 1.20 0.00 0.00 173.24 175.55 1ujo n GLY 4 N 3.30 5.00 3.03 9.45 0.00 -1.26 -4.98 105.19 119.73 1ujo n GLY 4 Ca 0.09 -2.60 -0.33 0.00 0.00 0.00 0.00 46.02 43.18 1ujo n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ujo s SER 5 N -2.91 4.92 -0.26 1.61 1.04 -1.26 -4.60 113.70 112.24 1ujo s SER 5 Ca 0.44 -3.08 -0.28 0.00 0.48 0.00 0.00 55.95 53.52 1ujo s SER 5 Cb 0.24 -1.76 0.17 0.00 0.10 0.00 0.00 66.02 64.76 1ujo s SER 5 CO -0.09 -0.28 1.25 -0.94 0.98 0.00 0.00 173.24 174.16 1ujo s SER 6 N 0.07 -0.16 -1.15 7.02 1.04 -1.26 -5.07 113.70 114.18 1ujo s SER 6 Ca 0.19 0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.77 1ujo s SER 6 Cb -0.20 0.20 0.25 0.00 0.10 0.00 0.00 66.02 66.37 1ujo s SER 6 CO -0.04 -0.12 1.55 0.61 0.98 0.00 0.00 173.24 176.22 1ujo n GLY 7 N 0.95 4.80 3.43 7.32 0.00 -1.26 -5.02 105.19 115.41 1ujo n GLY 7 Ca -0.06 -2.45 -0.42 0.00 0.00 0.00 0.00 46.02 43.10 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 2.54 0.48 -0.39 1.61 1.02 -1.26 -4.32 120.64 120.33 1ujo n GLU 8 Ca 0.30 0.18 -0.05 0.00 -0.02 0.00 0.00 57.16 57.58 1ujo n GLU 8 Cb 0.35 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.73 -0.01 -0.01 3.49 5.08 -1.99 0.21 114.58 122.07 1ujo h GLU 9 Ca -0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1ujo h GLU 9 Cb 1.41 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1ujo h GLU 9 CO 0.51 -0.01 -0.10 1.25 -1.00 0.00 0.00 179.01 179.66 1ujo h LEU 10 N -0.01 -0.32 -0.97 1.33 6.46 -2.00 -2.01 115.31 117.78 1ujo h LEU 10 Ca 0.28 0.04 0.11 0.00 -0.12 0.00 0.00 57.88 58.19 1ujo h LEU 10 Cb 0.53 0.12 -0.13 0.00 -0.73 0.00 0.00 40.66 40.45 1ujo h LEU 10 CO -0.96 -0.10 -0.49 -0.62 -0.62 0.00 0.00 178.44 175.65 1ujo n GLU 11 N -3.09 -0.35 -0.34 1.25 1.02 -0.39 0.72 120.64 119.46 1ujo n GLU 11 Ca -0.01 1.48 0.08 0.00 -0.02 0.00 0.00 57.16 58.69 1ujo n GLU 11 Cb 0.07 -2.19 0.17 0.00 -0.02 0.00 0.00 31.44 29.47 1ujo n GLU 11 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ujo n GLU 12 N -5.31 -0.08 0.21 3.49 1.02 0.61 -0.03 120.64 120.55 1ujo n GLU 12 Ca 0.05 1.48 -0.13 0.00 -0.02 0.00 0.00 57.16 58.54 1ujo n GLU 12 Cb 0.31 -2.24 -0.07 0.00 -0.02 0.00 0.00 31.44 29.42 1ujo n GLU 12 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1ujo h ARG 13 N 0.00 -0.55 -0.99 3.49 2.43 0.99 0.21 114.38 119.96 1ujo h ARG 13 Ca 0.49 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.86 1ujo h ARG 13 Cb 0.81 0.13 -0.17 0.00 -0.42 0.00 0.00 29.97 30.31 1ujo h ARG 13 CO -0.97 -0.25 -0.34 -0.07 -1.51 0.00 0.00 179.97 176.84 1ujo h LEU 14 N -0.95 -1.27 0.60 3.80 4.07 0.17 0.66 115.31 122.38 1ujo h LEU 14 Ca -0.06 0.31 -0.03 0.00 0.08 0.00 0.00 57.88 58.18 1ujo h LEU 14 Cb 0.56 0.71 0.01 0.00 1.08 0.00 0.00 40.66 43.02 1ujo h LEU 14 CO 0.10 -0.30 -0.29 0.58 -1.08 0.00 0.00 178.44 177.44 1ujo h VAL 15 N -0.00 0.00 -1.63 1.22 2.07 -0.45 -1.07 116.25 116.39 1ujo h VAL 15 Ca 0.39 -0.24 0.50 0.00 0.82 0.00 0.00 66.70 68.17 1ujo h VAL 15 Cb 0.64 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.31 1ujo h VAL 15 CO -1.00 0.00 1.13 -0.62 0.02 0.00 0.00 177.57 177.11 1ujo n GLU 16 N -4.85 -0.01 0.00 1.57 1.02 0.74 0.12 120.64 119.22 1ujo n GLU 16 Ca -0.10 1.08 0.00 0.00 -0.02 0.00 0.00 57.16 58.12 1ujo n GLU 16 Cb 0.32 -2.33 0.00 0.00 -0.02 0.00 0.00 31.44 29.41 1ujo n GLU 16 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1ujo n TRP 17 N -4.11 0.00 -0.40 -0.32 -0.00 0.21 -2.95 117.44 109.86 1ujo n TRP 17 Ca 0.40 0.00 0.38 0.00 -0.00 0.00 0.00 57.50 58.29 1ujo n TRP 17 Cb 1.73 -0.46 0.66 0.00 -0.00 0.00 0.00 31.31 33.23 1ujo n TRP 17 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 1ujo h ILE 18 N 0.00 0.09 0.34 5.87 2.04 0.55 1.19 117.51 127.59 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 0.00 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.20 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 0.68 0.03 1.67 2.07 0.88 0.45 116.25 122.04 1ujo h VAL 19 Ca 0.65 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.97 1ujo h VAL 19 Cb 3.01 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1ujo h VAL 19 CO -0.01 0.04 -0.02 -0.37 0.02 0.00 0.00 177.57 177.24 1ujo h VAL 20 N -0.57 1.18 0.08 2.57 -1.51 0.15 1.59 116.25 119.73 1ujo h VAL 20 Ca -0.05 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.75 1ujo h VAL 20 Cb 0.42 1.63 -0.02 0.00 -2.13 0.00 0.00 31.29 31.19 1ujo h VAL 20 CO 0.08 0.17 -0.21 1.56 -1.23 0.00 0.00 177.57 177.94 1ujo h GLN 21 N -0.34 -0.31 0.37 5.19 7.50 -0.97 -3.02 115.11 123.53 1ujo h GLN 21 Ca -0.00 0.02 -0.02 0.00 0.50 0.00 0.00 58.65 59.15 1ujo h GLN 21 Cb 0.31 0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.92 1ujo h GLN 21 CO 0.01 -0.20 -0.18 0.00 -1.50 0.00 0.00 178.83 176.96 1ujo n GLY 23 N -1.10 0.87 2.28 0.00 0.00 0.54 -4.72 105.19 103.07 1ujo n GLY 23 Ca -0.11 -2.20 -0.18 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.33 2.07 0.00 1.61 -0.04 -1.26 -3.32 135.00 133.73 1ujo n PRO 24 Ca 0.00 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.25 1ujo n PRO 24 Cb 0.00 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 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 3.21 0.69 0.09 3.54 2.03 -1.26 -4.77 116.55 120.07 1ujo n ASP 25 Ca 0.44 0.00 -0.03 0.00 0.52 0.00 0.00 54.79 55.73 1ujo n ASP 25 Cb 0.46 0.00 0.21 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 1.32 0.00 5.18 -1.51 -1.88 -3.48 116.25 115.88 1ujo h VAL 26 Ca 0.00 -1.58 0.00 0.00 -1.23 0.00 0.00 66.70 63.89 1ujo h VAL 26 Cb 0.61 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1ujo h VAL 26 CO 0.00 0.47 0.00 0.61 -1.23 0.00 0.00 177.57 177.42 1ujo n GLY 27 N -0.12 0.89 3.78 5.19 0.00 -1.26 -5.00 105.19 108.66 1ujo n GLY 27 Ca -0.02 -1.26 -0.06 0.00 0.00 0.00 0.00 46.02 44.68 1ujo n GLY 27 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ujo s ARG 28 N 0.00 1.48 0.27 1.61 0.52 -1.26 -4.89 118.95 116.67 1ujo s ARG 28 Ca 0.00 -0.80 -0.30 0.00 -0.52 0.00 0.00 55.73 54.12 1ujo s ARG 28 Cb 0.00 0.52 -0.09 0.00 0.52 0.00 0.00 34.95 35.89 1ujo s ARG 28 CO 0.00 -0.67 1.08 -1.25 0.02 0.00 0.00 175.30 174.48 1ujo s PRO 29 N -3.62 4.66 0.33 3.54 0.04 -1.26 -5.04 135.00 133.65 1ujo s PRO 29 Ca 0.11 1.77 0.08 0.00 0.04 0.00 0.00 61.00 62.99 1ujo s PRO 29 Cb -0.04 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1ujo s PRO 29 CO 0.03 0.23 0.20 -0.51 0.04 0.00 0.00 177.00 176.99 1ujo s ASP 30 N -0.83 5.01 1.35 6.66 1.11 -1.26 -4.93 116.67 123.79 1ujo s ASP 30 Ca 0.45 -0.60 -0.20 0.00 0.18 0.00 0.00 52.55 52.37 1ujo s ASP 30 Cb -0.31 -0.90 0.34 0.00 1.07 0.00 0.00 42.92 43.12 1ujo s ASP 30 CO 0.40 -0.28 0.83 -2.11 1.18 0.00 0.00 175.17 175.19 1ujo n ARG 31 N -1.23 -3.94 0.00 8.23 -4.01 -1.26 -3.96 116.66 110.49 1ujo n ARG 31 Ca -0.03 -1.16 0.00 0.00 -1.04 0.00 0.00 57.85 55.62 1ujo n ARG 31 Cb 0.60 -1.94 0.00 0.00 -3.04 0.00 0.00 32.46 28.08 1ujo n ARG 31 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1ujo n GLY 32 N 1.71 0.50 0.27 2.89 0.00 -1.26 -4.62 105.19 104.68 1ujo n GLY 32 Ca 0.09 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.82 1ujo n GLY 32 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ujo h ARG 33 N 8.64 -0.38 -2.12 1.61 3.08 -1.92 -3.40 114.38 119.89 1ujo h ARG 33 Ca 0.00 0.03 -0.43 0.00 0.07 0.00 0.00 59.98 59.64 1ujo h ARG 33 Cb 0.00 0.09 -0.33 0.00 0.08 0.00 0.00 29.97 29.80 1ujo h ARG 33 CO 0.00 -0.25 -0.74 -0.51 -1.07 0.00 0.00 179.97 177.39 1ujo s LEU 34 N -7.87 0.27 -0.04 3.04 1.43 -1.26 -4.25 118.68 109.99 1ujo s LEU 34 Ca -0.09 -1.83 -0.10 0.00 -1.03 0.00 0.00 54.13 51.07 1ujo s LEU 34 Cb 0.03 0.28 -0.06 0.00 0.03 0.00 0.00 46.19 46.48 1ujo s LEU 34 CO 0.34 -0.26 0.47 1.23 0.23 0.00 0.00 176.35 178.35 1ujo h GLY 35 N 6.92 -0.40 -0.72 -3.19 0.00 -1.77 -3.03 103.07 100.88 1ujo h GLY 35 Ca 0.07 0.15 0.07 0.00 0.00 0.00 0.00 47.33 47.61 1ujo h GLY 35 CO 0.22 -0.14 -0.55 -2.75 0.00 0.00 0.00 176.54 173.31 1ujo h PHE 36 N -0.99 -1.74 -0.73 5.60 3.57 -1.92 1.04 116.94 121.77 1ujo h PHE 36 Ca -0.04 0.11 0.15 0.00 3.53 0.00 0.00 57.97 61.71 1ujo h PHE 36 Cb 0.29 0.85 -0.14 0.00 2.79 0.00 0.00 35.95 39.74 1ujo h PHE 36 CO 0.01 -0.40 -0.17 0.37 -2.23 0.00 0.00 178.31 175.89 1ujo h GLN 37 N -0.16 0.01 -0.58 1.11 -0.00 -1.92 0.53 115.11 114.11 1ujo h GLN 37 Ca 0.12 -0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.73 1ujo h GLN 37 Cb 0.46 -0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.92 1ujo h GLN 37 CO -0.76 0.00 0.23 0.28 0.00 0.00 0.00 178.83 178.58 1ujo h VAL 38 N 0.01 1.23 -0.74 2.39 2.07 -0.52 0.13 116.25 120.81 1ujo h VAL 38 Ca 0.35 -0.70 0.12 0.00 0.82 0.00 0.00 66.70 67.29 1ujo h VAL 38 Cb 0.55 0.61 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 1ujo h VAL 38 CO -0.75 0.27 0.34 -0.25 0.02 0.00 0.00 177.57 177.21 1ujo h TRP 39 N 0.79 0.60 -1.14 1.57 7.01 0.56 0.47 115.95 125.81 1ujo h TRP 39 Ca 0.19 0.03 -0.65 0.00 2.11 0.00 0.00 58.89 60.57 1ujo h TRP 39 Cb 0.20 -0.16 -0.33 0.00 -2.10 0.00 0.00 29.16 26.77 1ujo h TRP 39 CO 0.01 0.16 0.33 1.28 -2.79 0.00 0.00 178.44 177.43 1ujo n LEU 40 N -4.92 6.71 -0.07 0.65 4.77 0.97 -4.53 117.00 120.58 1ujo n LEU 40 Ca 0.13 -4.58 -0.11 0.00 -0.03 0.00 0.00 56.01 51.42 1ujo n LEU 40 Cb 0.34 -0.78 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 1ujo n LEU 40 CO 0.22 1.75 -0.71 1.17 -1.33 0.00 0.00 177.39 178.48 1ujo n LYS 41 N -0.77 0.43 -0.38 3.23 4.81 0.39 -4.61 118.16 121.27 1ujo n LYS 41 Ca 0.55 0.17 -0.01 0.00 -0.87 0.00 0.00 58.31 58.15 1ujo n LYS 41 Cb 0.67 -1.24 0.04 0.00 0.02 0.00 0.00 35.03 34.52 1ujo n LYS 41 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1ujo h ASN 42 N -0.78 -1.45 0.00 3.14 -0.73 -1.80 -3.44 115.58 110.52 1ujo h ASN 42 Ca -0.14 0.31 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1ujo h ASN 42 Cb 0.96 0.76 0.00 0.00 0.27 0.00 0.00 38.32 40.31 1ujo h ASN 42 CO -0.09 -0.29 0.00 0.61 -0.37 0.00 0.00 177.43 177.30 1ujo n GLY 43 N -1.47 2.17 0.26 1.57 0.00 -1.26 -4.42 105.19 102.04 1ujo n GLY 43 Ca 0.10 -0.19 0.05 0.00 0.00 0.00 0.00 46.02 45.98 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 0.55 -0.05 1.61 2.07 -1.87 0.33 116.25 118.88 1ujo h VAL 44 Ca 0.00 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ujo h VAL 44 Cb 0.00 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1ujo h VAL 44 CO 0.00 0.05 0.04 0.40 0.02 0.00 0.00 177.57 178.08 1ujo h ILE 45 N 0.29 1.02 -0.41 4.57 2.04 -1.91 0.21 117.51 123.32 1ujo h ILE 45 Ca 0.40 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 66.30 1ujo h ILE 45 Cb 0.66 0.94 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 1ujo h ILE 45 CO -0.48 0.02 -0.01 -0.07 0.00 0.00 0.00 178.15 177.61 1ujo h LEU 46 N 0.07 -0.18 -0.90 1.44 3.38 -1.22 0.27 115.31 118.17 1ujo h LEU 46 Ca 0.02 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1ujo h LEU 46 Cb -0.00 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1ujo h LEU 46 CO -0.00 -0.05 0.58 0.77 0.09 0.00 0.00 178.44 179.82 1ujo h SER 47 N 0.10 1.04 -0.42 -0.43 4.64 -0.03 -1.03 113.55 117.41 1ujo h SER 47 Ca 0.20 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.46 1ujo h SER 47 Cb 0.29 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1ujo h SER 47 CO -0.34 0.77 0.20 0.11 -0.87 0.00 0.00 176.83 176.70 1ujo h LYS 48 N 1.22 0.66 0.00 4.77 1.57 0.12 0.07 116.57 124.99 1ujo h LYS 48 Ca 0.33 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1ujo h LYS 48 Cb -0.12 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.06 1ujo h LYS 48 CO -0.07 0.53 0.00 -0.11 -0.57 0.00 0.00 179.45 179.23 1ujo n LEU 49 N -4.37 0.00 -0.28 2.94 7.94 0.76 0.18 117.00 124.17 1ujo n LEU 49 Ca 0.04 0.78 0.09 0.00 -1.11 0.00 0.00 56.01 55.80 1ujo n LEU 49 Cb 0.14 -0.28 0.21 0.00 0.53 0.00 0.00 43.42 44.02 1ujo n LEU 49 CO 0.37 -0.28 0.85 1.62 -1.11 0.00 0.00 177.39 178.85 1ujo h VAL 50 N 0.00 0.29 0.08 1.96 3.04 -1.46 0.39 116.25 120.54 1ujo h VAL 50 Ca 0.00 -0.04 0.02 0.00 -1.01 0.00 0.00 66.70 65.66 1ujo h VAL 50 Cb 0.00 0.15 -0.03 0.00 -2.01 0.00 0.00 31.29 29.41 1ujo h VAL 50 CO 0.00 0.02 -0.18 0.78 -1.01 0.00 0.00 177.57 177.18 1ujo h ASN 51 N 0.12 -0.51 -0.31 3.17 2.35 -0.86 -1.46 115.58 118.08 1ujo h ASN 51 Ca 0.48 0.06 0.07 0.00 -0.55 0.00 0.00 56.30 56.36 1ujo h ASN 51 Cb 0.90 0.20 -0.08 0.00 0.05 0.00 0.00 38.32 39.39 1ujo h ASN 51 CO -0.70 -0.26 -0.25 0.77 -1.65 0.00 0.00 177.43 175.35 1ujo h SER 52 N -0.34 -0.81 0.00 5.81 4.64 0.59 -3.13 113.55 120.31 1ujo h SER 52 Ca 0.03 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1ujo h SER 52 Cb 0.37 0.39 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 1ujo h SER 52 CO -0.11 -0.28 0.00 0.18 -0.87 0.00 0.00 176.83 175.75 1ujo n LEU 53 N -5.39 0.00 -3.46 5.97 4.77 0.28 -4.67 117.00 114.50 1ujo n LEU 53 Ca 0.00 0.48 -0.34 0.00 -0.03 0.00 0.00 56.01 56.12 1ujo n LEU 53 Cb 0.30 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 1ujo n LEU 53 CO 0.12 0.00 -0.31 -1.22 -1.33 0.00 0.00 177.39 174.66 1ujo n TYR 54 N -0.71 -1.53 -1.54 -1.77 4.01 -0.59 -4.81 117.16 110.21 1ujo n TYR 54 Ca 0.00 0.54 -0.29 0.00 -0.16 0.00 0.00 57.90 57.99 1ujo n TYR 54 Cb 0.00 -1.44 0.13 0.00 -0.31 0.00 0.00 39.34 37.71 1ujo n TYR 54 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1ujo s PRO 55 N -0.80 1.30 0.25 -0.72 0.04 -1.26 -4.77 135.00 129.04 1ujo s PRO 55 Ca 0.48 0.35 -0.31 0.00 0.04 0.00 0.00 61.00 61.56 1ujo s PRO 55 Cb -0.54 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.02 1ujo s PRO 55 CO 0.50 -2.10 1.56 0.39 0.04 0.00 0.00 177.00 177.39 1ujo n GLU 56 N -3.71 2.45 0.00 4.56 1.02 -1.26 -0.86 120.64 122.85 1ujo n GLU 56 Ca 0.07 0.88 0.00 0.00 -0.02 0.00 0.00 57.16 58.08 1ujo n GLU 56 Cb 0.59 -2.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.38 1ujo n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ujo n GLY 57 N 2.58 3.25 0.05 0.62 0.00 -1.26 -4.78 105.19 105.65 1ujo n GLY 57 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 1ujo n GLY 57 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujo n SER 58 N 0.00 0.66 -4.47 1.61 7.64 -0.04 -4.88 113.62 114.14 1ujo n SER 58 Ca 0.00 0.06 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 1ujo n SER 58 Cb 0.00 0.20 -0.15 0.00 -1.01 0.00 0.00 64.21 63.26 1ujo n SER 58 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ujo n LYS 59 N -2.02 0.00 -0.00 1.43 4.01 -1.20 -4.74 118.16 115.63 1ujo n LYS 59 Ca 0.03 0.00 -0.17 0.00 -0.51 0.00 0.00 58.31 57.66 1ujo n LYS 59 Cb 0.43 -1.50 -0.10 0.00 -0.51 0.00 0.00 35.03 33.34 1ujo n LYS 59 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1ujo h PRO 60 N 11.67 0.50 -6.37 1.97 0.13 -1.91 -3.45 132.00 134.53 1ujo h PRO 60 Ca -0.06 -0.49 -0.54 0.00 -0.87 0.00 0.00 66.00 64.04 1ujo h PRO 60 Cb 1.32 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.56 1ujo h PRO 60 CO 1.36 1.13 -0.20 0.08 -0.23 0.00 0.00 178.00 180.14 1ujo s VAL 61 N -3.38 5.06 -0.37 1.56 1.01 -1.26 -5.06 120.40 117.96 1ujo s VAL 61 Ca -0.12 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 1ujo s VAL 61 Cb 0.05 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.84 1ujo s VAL 61 CO 0.84 -0.17 0.12 -0.54 0.00 0.00 0.00 175.10 175.35 1ujo s LYS 62 N -3.16 1.96 -0.20 2.72 1.02 -1.26 -4.92 119.74 115.89 1ujo s LYS 62 Ca 0.43 -1.72 -0.06 0.00 0.02 0.00 0.00 55.97 54.64 1ujo s LYS 62 Cb -0.11 -3.40 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 1ujo s LYS 62 CO 0.27 -0.94 0.03 0.54 -0.92 0.00 0.00 175.35 174.32 1ujo s VAL 63 N 1.10 4.22 -2.00 3.17 0.11 -1.26 -4.96 120.40 120.79 1ujo s VAL 63 Ca 0.06 -0.22 0.14 0.00 -2.93 0.00 0.00 61.98 59.03 1ujo s VAL 63 Cb -0.21 -2.92 0.40 0.00 -1.53 0.00 0.00 36.38 32.13 1ujo s VAL 63 CO -0.05 0.42 1.37 -0.81 -3.33 0.00 0.00 175.10 172.71 1ujo n PRO 64 N 4.13 0.75 0.00 1.54 -0.04 -1.26 -4.90 135.00 135.22 1ujo n PRO 64 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1ujo n PRO 64 Cb 0.52 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 1ujo n PRO 64 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1ujo n GLU 65 N -0.79 0.00 -2.38 0.54 2.13 -1.26 -4.88 120.64 114.00 1ujo n GLU 65 Ca 0.11 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.51 1ujo n GLU 65 Cb 0.05 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.73 1ujo n GLU 65 CO 0.00 0.00 0.00 -0.80 -0.41 0.00 0.00 177.13 175.92 1ujo s ASN 66 N -0.78 7.06 0.38 4.31 -0.87 -1.26 -4.94 114.94 118.84 1ujo s ASN 66 Ca 0.00 2.15 -0.25 0.00 -1.57 0.00 0.00 52.86 53.19 1ujo s ASN 66 Cb 0.00 -2.59 -0.09 0.00 -0.02 0.00 0.00 41.25 38.55 1ujo s ASN 66 CO 0.00 -0.43 1.06 -2.16 -2.57 0.00 0.00 177.10 173.00 1ujo s PRO 67 N 0.41 4.23 0.00 -0.60 0.04 -1.26 -5.03 135.00 132.79 1ujo s PRO 67 Ca 0.56 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.16 1ujo s PRO 67 Cb -0.32 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1ujo s PRO 67 CO 0.33 -0.09 0.01 -0.35 0.04 0.00 0.00 177.00 176.94 1ujo n PRO 68 N 0.12 0.00 0.00 0.56 -0.04 -1.26 -5.06 135.00 129.32 1ujo n PRO 68 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1ujo n PRO 68 Cb 0.49 -0.18 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 1ujo n PRO 68 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1ujo n SER 69 N -0.05 0.00 -4.16 3.54 7.64 -1.26 -5.14 113.62 114.19 1ujo n SER 69 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1ujo n SER 69 Cb 0.00 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.24 1ujo n SER 69 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1ujo n MET 70 N 0.00 0.01 -0.05 1.43 2.81 -1.26 -4.82 117.12 115.23 1ujo n MET 70 Ca 0.00 0.01 -0.10 0.00 -1.81 0.00 0.00 57.70 55.80 1ujo n MET 70 Cb 0.00 -1.17 -0.09 0.00 -0.71 0.00 0.00 33.22 31.25 1ujo n MET 70 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1ujo h VAL 71 N -0.70 1.24 -0.63 2.03 2.07 -2.01 -2.98 116.25 115.26 1ujo h VAL 71 Ca -0.43 -1.87 0.11 0.00 0.82 0.00 0.00 66.70 65.33 1ujo h VAL 71 Cb 1.35 2.32 -0.12 0.00 -1.52 0.00 0.00 31.29 33.31 1ujo h VAL 71 CO 0.31 0.41 -0.32 -0.26 0.02 0.00 0.00 177.57 177.74 1ujo h PHE 72 N -0.98 -0.87 0.16 1.57 0.04 -1.99 0.43 116.94 115.31 1ujo h PHE 72 Ca -0.00 0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1ujo h PHE 72 Cb 0.69 0.47 -0.01 0.00 2.20 0.00 0.00 35.95 39.30 1ujo h PHE 72 CO 0.19 -0.37 -0.14 0.87 -0.60 0.00 0.00 178.31 178.25 1ujo h LYS 73 N -0.13 -0.29 -1.00 1.51 1.79 -1.94 -0.47 116.57 116.04 1ujo h LYS 73 Ca 0.25 0.02 0.18 0.00 -2.18 0.00 0.00 60.65 58.92 1ujo h LYS 73 Cb 0.55 0.07 -0.17 0.00 -1.58 0.00 0.00 32.23 31.09 1ujo h LYS 73 CO -0.71 -0.19 -0.32 1.96 -1.08 0.00 0.00 179.45 179.11 1ujo h GLN 74 N -0.30 -0.00 -0.20 3.15 4.20 -1.25 0.35 115.11 121.06 1ujo h GLN 74 Ca -0.02 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.74 1ujo h GLN 74 Cb 0.26 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.97 1ujo h GLN 74 CO -0.01 -0.00 -0.32 0.52 -0.67 0.00 0.00 178.83 178.35 1ujo h MET 75 N -0.00 -0.34 -0.61 1.46 2.86 0.15 -1.32 114.93 117.12 1ujo h MET 75 Ca 0.41 0.02 0.13 0.00 -2.06 0.00 0.00 59.70 58.20 1ujo h MET 75 Cb 0.66 0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.29 1ujo h MET 75 CO -1.01 -0.23 -0.01 0.93 1.06 0.00 0.00 176.91 177.65 1ujo h GLU 76 N -0.36 0.10 -0.92 1.72 5.08 0.13 -0.57 114.58 119.77 1ujo h GLU 76 Ca 0.11 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.63 1ujo h GLU 76 Cb 0.54 -0.02 -0.16 0.00 0.50 0.00 0.00 28.75 29.61 1ujo h GLU 76 CO -0.40 0.07 -0.33 0.37 -1.00 0.00 0.00 179.01 177.72 1ujo h GLN 77 N 0.11 -0.02 0.07 2.33 5.75 -0.02 0.74 115.11 124.05 1ujo h GLN 77 Ca 0.32 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.83 1ujo h GLN 77 Cb 0.51 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.05 1ujo h GLN 77 CO -0.53 -0.01 -0.11 0.28 -2.65 0.00 0.00 178.83 175.80 1ujo h VAL 78 N -0.02 0.73 -0.45 2.39 2.07 -0.96 -2.00 116.25 118.02 1ujo h VAL 78 Ca 0.37 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.98 1ujo h VAL 78 Cb 0.62 0.73 -0.09 0.00 -1.52 0.00 0.00 31.29 31.03 1ujo h VAL 78 CO -0.94 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 176.51 1ujo h ALA 79 N 0.68 0.24 -0.98 1.67 0.00 0.33 0.72 119.26 121.91 1ujo h ALA 79 Ca 0.02 0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.32 1ujo h ALA 79 Cb 0.24 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 18.31 1ujo h ALA 79 CO -0.06 -0.48 0.57 1.96 0.00 0.00 0.00 179.25 181.23 1ujo h GLN 80 N -0.04 0.61 -0.02 0.00 4.20 0.75 0.12 115.11 120.72 1ujo h GLN 80 Ca 0.22 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 1ujo h GLN 80 Cb 0.37 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.02 1ujo h GLN 80 CO -0.48 0.40 -0.48 0.35 -0.67 0.00 0.00 178.83 177.95 1ujo h PHE 81 N 0.63 0.51 -0.34 2.96 3.57 0.13 -2.72 116.94 121.67 1ujo h PHE 81 Ca 0.60 -0.27 0.08 0.00 3.53 0.00 0.00 57.97 61.91 1ujo h PHE 81 Cb 1.05 -0.06 -0.08 0.00 2.79 0.00 0.00 35.95 39.65 1ujo h PHE 81 CO -0.03 1.07 -0.24 -0.07 -2.23 0.00 0.00 178.31 176.81 1ujo h LEU 82 N -0.19 -0.78 -1.78 0.59 3.38 0.19 1.44 115.31 118.17 1ujo h LEU 82 Ca -0.05 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ujo h LEU 82 Cb 1.19 0.39 -0.01 0.00 0.09 0.00 0.00 40.66 42.31 1ujo h LEU 82 CO 0.09 -0.27 0.15 0.50 0.09 0.00 0.00 178.44 179.01 1ujo h LYS 83 N -0.20 0.30 -0.17 1.13 1.63 -0.93 -0.60 116.57 117.73 1ujo h LYS 83 Ca 0.17 -0.02 -0.20 0.00 -0.85 0.00 0.00 60.65 59.75 1ujo h LYS 83 Cb 0.46 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1ujo h LYS 83 CO -0.45 0.20 -0.68 0.00 -3.45 0.00 0.00 179.45 175.06 1ujo h ALA 84 N 1.86 0.47 0.04 5.00 0.00 0.20 -3.18 119.26 123.65 1ujo h ALA 84 Ca 0.08 -0.57 -0.00 0.00 0.00 0.00 0.00 54.91 54.42 1ujo h ALA 84 Cb -0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ujo h ALA 84 CO -0.02 0.70 -0.05 0.00 0.00 0.00 0.00 179.25 179.88 1ujo h ALA 85 N 0.73 -0.77 -0.75 0.00 0.00 0.33 -2.16 119.26 116.64 1ujo h ALA 85 Ca -0.02 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.05 1ujo h ALA 85 Cb 1.28 0.32 -0.14 0.00 0.00 0.00 0.00 17.79 19.25 1ujo h ALA 85 CO 0.14 -0.77 -0.07 -0.85 0.00 0.00 0.00 179.25 177.69 1ujo n GLU 86 N -2.58 -0.06 -0.00 0.00 0.28 -0.91 0.17 120.64 117.53 1ujo n GLU 86 Ca -0.01 1.14 -0.12 0.00 -0.16 0.00 0.00 57.16 58.01 1ujo n GLU 86 Cb 0.04 -1.76 -0.06 0.00 1.43 0.00 0.00 31.44 31.10 1ujo n GLU 86 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 1ujo h ASP 87 N 0.00 -1.26 -1.28 -1.84 3.58 -1.41 0.15 116.42 114.36 1ujo h ASP 87 Ca 0.41 0.17 0.44 0.00 0.42 0.00 0.00 57.03 58.47 1ujo h ASP 87 Cb 0.77 0.52 -0.14 0.00 1.72 0.00 0.00 39.33 42.19 1ujo h ASP 87 CO -0.73 -0.41 0.81 0.22 -2.88 0.00 0.00 179.24 176.24 1ujo h TYR 88 N -0.47 0.58 0.00 0.28 3.20 0.23 -3.42 116.97 117.36 1ujo h TYR 88 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1ujo h TYR 88 Cb 0.61 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.74 1ujo h TYR 88 CO -0.47 -0.26 0.00 0.41 -1.64 0.00 0.00 178.16 176.20 1ujo n GLY 89 N -1.48 0.57 3.27 1.82 0.00 0.49 -5.03 105.19 104.84 1ujo n GLY 89 Ca 0.38 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 1ujo n GLY 89 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1ujo n VAL 90 N 0.00 0.62 -3.17 1.61 0.31 -1.09 -4.94 118.33 111.67 1ujo n VAL 90 Ca 0.00 -0.46 -0.02 0.00 -0.01 0.00 0.00 64.34 63.85 1ujo n VAL 90 Cb 0.00 -0.27 0.00 0.00 -0.91 0.00 0.00 33.84 32.67 1ujo n VAL 90 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1ujo n ILE 91 N -2.09 0.00 1.00 2.52 -5.35 -1.26 -4.45 119.36 109.73 1ujo n ILE 91 Ca 0.06 -0.15 0.10 0.00 -0.27 0.00 0.00 62.75 62.49 1ujo n ILE 91 Cb 0.50 -0.81 -0.08 0.00 -1.74 0.00 0.00 39.64 37.52 1ujo n ILE 91 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1ujo n LYS 92 N -0.94 0.10 0.17 6.28 5.02 -1.26 -3.46 118.16 124.07 1ujo n LYS 92 Ca 0.01 -0.08 0.11 0.00 -2.02 0.00 0.00 58.31 56.33 1ujo n LYS 92 Cb 0.05 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.65 1ujo n LYS 92 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1ujo h THR 93 N 0.19 0.08 0.00 -0.18 1.35 -2.00 -3.24 112.91 109.11 1ujo h THR 93 Ca 0.00 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.73 1ujo h THR 93 Cb 0.52 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1ujo h THR 93 CO 0.00 0.05 -1.19 -0.90 -0.25 0.00 0.00 175.52 173.22 1ujo n ASP 94 N -2.95 0.81 -4.77 5.36 5.68 -1.26 -4.97 116.55 114.45 1ujo n ASP 94 Ca 0.02 -0.62 -0.38 0.00 -0.50 0.00 0.00 54.79 53.31 1ujo n ASP 94 Cb 0.56 1.29 -0.00 0.00 -1.14 0.00 0.00 41.12 41.83 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1ujo s MET 95 N -2.91 3.74 0.45 0.11 -1.94 -1.22 -1.82 119.30 115.71 1ujo s MET 95 Ca 0.02 1.95 0.03 0.00 -1.71 0.00 0.00 55.69 55.98 1ujo s MET 95 Cb 0.13 -2.50 -0.04 0.00 2.01 0.00 0.00 34.83 34.44 1ujo s MET 95 CO 0.76 -0.61 0.03 -0.59 -0.01 0.00 0.00 175.02 174.60 1ujo s PHE 96 N -1.42 2.02 -0.08 -0.03 -0.12 -1.26 -4.95 117.98 112.13 1ujo s PHE 96 Ca 0.62 -0.95 -0.11 0.00 -0.05 0.00 0.00 56.93 56.44 1ujo s PHE 96 Cb -0.33 -1.54 -0.05 0.00 -0.63 0.00 0.00 43.02 40.48 1ujo s PHE 96 CO 0.41 0.16 0.27 -0.65 -0.05 0.00 0.00 175.22 175.36 1ujo s GLN 97 N -3.81 3.80 0.41 1.99 -0.21 -1.26 -4.96 119.66 115.62 1ujo s GLN 97 Ca 0.19 0.12 0.25 0.00 0.02 0.00 0.00 55.36 55.93 1ujo s GLN 97 Cb 0.04 -3.25 1.31 0.00 1.00 0.00 0.00 33.01 32.11 1ujo s GLN 97 CO 0.10 0.63 1.64 1.15 -2.12 0.00 0.00 175.29 176.69 1ujo h THR 98 N 4.03 0.19 -0.15 -0.19 2.02 -1.99 1.09 112.91 117.91 1ujo h THR 98 Ca -0.51 -0.05 -0.04 0.00 0.77 0.00 0.00 66.41 66.58 1ujo h THR 98 Cb 1.21 0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1ujo h THR 98 CO 0.63 0.03 -0.07 -0.37 0.37 0.00 0.00 175.52 176.11 1ujo h VAL 99 N 0.16 1.31 -1.11 3.16 -1.51 -1.94 1.41 116.25 117.73 1ujo h VAL 99 Ca 0.78 -1.11 0.32 0.00 -1.23 0.00 0.00 66.70 65.47 1ujo h VAL 99 Cb 2.24 1.72 -0.04 0.00 -2.13 0.00 0.00 31.29 33.07 1ujo h VAL 99 CO -0.49 0.33 1.02 0.44 -1.23 0.00 0.00 177.57 177.64 1ujo h ASP 100 N -0.01 0.00 0.00 4.19 3.32 0.96 1.09 116.42 125.97 1ujo h ASP 100 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1ujo h ASP 100 Cb 0.54 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1ujo h ASP 100 CO 0.02 0.00 -0.49 -0.11 -1.72 0.00 0.00 179.24 176.94 1ujo n LEU 101 N -3.66 1.13 0.01 1.55 7.94 -0.97 -2.47 117.00 120.53 1ujo n LEU 101 Ca 0.24 0.18 -0.12 0.00 -1.11 0.00 0.00 56.01 55.21 1ujo n LEU 101 Cb 1.37 -0.55 -0.06 0.00 0.53 0.00 0.00 43.42 44.71 1ujo n LEU 101 CO 0.32 -0.43 0.59 0.22 -1.11 0.00 0.00 177.39 176.98 1ujo h TYR 102 N -0.49 -1.15 -0.26 1.96 3.20 0.23 0.17 116.97 120.62 1ujo h TYR 102 Ca 0.00 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.92 1ujo h TYR 102 Cb 0.49 0.52 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1ujo h TYR 102 CO -0.21 -0.47 0.00 0.39 -1.64 0.00 0.00 178.16 176.23 1ujo n GLU 103 N -5.43 1.63 -4.18 1.82 -0.58 0.36 -4.90 120.64 109.35 1ujo n GLU 103 Ca -0.04 -0.95 -0.32 0.00 -0.42 0.00 0.00 57.16 55.43 1ujo n GLU 103 Cb 0.36 -1.22 -0.08 0.00 -0.57 0.00 0.00 31.44 29.93 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 0.90 -0.19 0.19 0.62 0.00 0.58 -4.79 105.19 102.50 1ujo n GLY 104 Ca 0.09 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.28 0.62 -1.96 1.61 1.57 -1.31 -3.39 116.57 112.43 1ujo h LYS 105 Ca -0.58 -0.46 -0.18 0.00 -1.87 0.00 0.00 60.65 57.56 1ujo h LYS 105 Cb 1.26 0.08 -0.30 0.00 0.08 0.00 0.00 32.23 33.35 1ujo h LYS 105 CO 0.70 1.08 -0.51 -0.51 -0.57 0.00 0.00 179.45 179.64 1ujo s ASP 106 N -6.74 0.45 0.02 0.86 1.01 -1.03 -4.53 116.67 106.71 1ujo s ASP 106 Ca -0.12 0.07 -0.05 0.00 0.71 0.00 0.00 52.55 53.16 1ujo s ASP 106 Cb 0.07 1.00 -0.29 0.00 1.01 0.00 0.00 42.92 44.71 1ujo s ASP 106 CO 0.84 -0.31 0.91 0.24 0.21 0.00 0.00 175.17 177.07 1ujo h MET 107 N 8.20 0.29 -1.44 8.23 2.86 -1.84 -3.22 114.93 128.01 1ujo h MET 107 Ca -0.18 -0.49 0.45 0.00 -2.06 0.00 0.00 59.70 57.42 1ujo h MET 107 Cb 1.15 0.18 -0.10 0.00 0.06 0.00 0.00 31.60 32.89 1ujo h MET 107 CO 0.28 1.17 0.97 0.00 1.06 0.00 0.00 176.91 180.39 1ujo h ALA 108 N 0.46 3.02 0.01 6.32 0.00 -1.95 0.66 119.26 127.78 1ujo h ALA 108 Ca -0.23 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1ujo h ALA 108 Cb 2.02 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 1ujo h ALA 108 CO 0.18 -1.58 -0.36 0.00 0.00 0.00 0.00 179.25 177.49 1ujo h ALA 109 N 1.44 0.06 -1.68 0.00 0.00 -1.95 -3.12 119.26 114.01 1ujo h ALA 109 Ca 0.80 -0.69 0.49 0.00 0.00 0.00 0.00 54.91 55.52 1ujo h ALA 109 Cb 2.75 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 20.65 1ujo h ALA 109 CO -0.26 0.20 1.19 0.28 0.00 0.00 0.00 179.25 180.65 1ujo h VAL 110 N -0.96 0.13 0.05 0.00 2.07 0.24 0.72 116.25 118.49 1ujo h VAL 110 Ca -0.09 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ujo h VAL 110 Cb 1.11 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1ujo h VAL 110 CO -0.04 0.00 -0.02 1.56 0.02 0.00 0.00 177.57 179.09 1ujo h GLN 111 N 0.02 -0.06 -1.49 1.57 4.20 -1.11 -3.21 115.11 115.03 1ujo h GLN 111 Ca 0.83 0.00 0.49 0.00 0.06 0.00 0.00 58.65 60.03 1ujo h GLN 111 Cb 3.20 0.01 -0.12 0.00 0.30 0.00 0.00 27.48 30.88 1ujo h GLN 111 CO -0.08 0.57 0.99 -2.13 -0.67 0.00 0.00 178.83 177.51 1ujo n ARG 112 N -4.76 -0.03 0.15 1.46 0.63 0.25 0.93 116.66 115.30 1ujo n ARG 112 Ca -0.08 1.18 -0.12 0.00 -0.92 0.00 0.00 57.85 57.91 1ujo n ARG 112 Cb 0.32 -2.42 -0.07 0.00 0.45 0.00 0.00 32.46 30.74 1ujo n ARG 112 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1ujo h THR 113 N 0.00 0.58 0.08 5.15 2.02 -0.85 -2.79 112.91 117.11 1ujo h THR 113 Ca 0.87 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 67.34 1ujo h THR 113 Cb 2.99 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 70.29 1ujo h THR 113 CO -0.35 0.12 -0.08 -0.07 0.37 0.00 0.00 175.52 175.51 1ujo h LEU 114 N -0.88 -0.20 -1.66 2.58 3.38 0.55 0.23 115.31 119.32 1ujo h LEU 114 Ca -0.04 0.02 0.38 0.00 0.09 0.00 0.00 57.88 58.33 1ujo h LEU 114 Cb 0.52 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 41.26 1ujo h LEU 114 CO 0.07 -0.12 0.89 0.24 0.09 0.00 0.00 178.44 179.61 1ujo h MET 115 N -0.17 0.12 0.00 1.13 2.86 0.03 0.26 114.93 119.15 1ujo h MET 115 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ujo h MET 115 Cb 0.17 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1ujo h MET 115 CO -0.02 0.08 -0.00 0.00 1.06 0.00 0.00 176.91 178.03 1ujo h ALA 116 N 1.46 -0.00 -0.20 6.32 0.00 -0.98 -3.07 119.26 122.78 1ujo h ALA 116 Ca 0.70 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1ujo h ALA 116 Cb 2.38 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 20.11 1ujo h ALA 116 CO -0.20 -0.00 -0.41 1.25 0.00 0.00 0.00 179.25 179.89 1ujo h LEU 117 N -1.00 -1.33 -0.12 0.00 5.85 0.13 0.51 115.31 119.34 1ujo h LEU 117 Ca -0.00 0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1ujo h LEU 117 Cb 0.76 0.53 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1ujo h LEU 117 CO 0.00 -0.33 -0.14 1.23 -0.34 0.00 0.00 178.44 178.87 1ujo h GLY 118 N -0.36 -1.81 -0.56 3.75 0.00 -0.81 0.26 103.07 103.53 1ujo h GLY 118 Ca 0.04 0.85 0.22 0.00 0.00 0.00 0.00 47.33 48.44 1ujo h GLY 118 CO -0.38 -0.62 0.07 0.23 0.00 0.00 0.00 176.54 175.84 1ujo h SER 119 N -0.08 -0.29 -0.61 0.19 0.87 -1.38 0.99 113.55 113.24 1ujo h SER 119 Ca 0.02 0.22 0.08 0.00 -1.23 0.00 0.00 61.79 60.89 1ujo h SER 119 Cb 0.14 0.37 -0.07 0.00 -0.44 0.00 0.00 62.40 62.40 1ujo h SER 119 CO -0.16 -0.22 0.25 -0.07 -0.53 0.00 0.00 176.83 176.10 1ujo h LEU 120 N 0.11 0.29 -0.88 2.23 3.38 0.20 1.36 115.31 122.00 1ujo h LEU 120 Ca 0.51 0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.45 1ujo h LEU 120 Cb 0.98 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 1ujo h LEU 120 CO -0.74 0.18 -0.13 0.00 0.09 0.00 0.00 178.44 177.84 1ujo h ALA 121 N 1.39 1.06 -0.42 1.53 0.00 0.40 -2.64 119.26 120.59 1ujo h ALA 121 Ca 0.30 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1ujo h ALA 121 Cb 0.33 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ujo h ALA 121 CO -0.27 0.58 -0.28 0.28 0.00 0.00 0.00 179.25 179.56 1ujo h VAL 122 N 0.62 1.27 -0.56 0.00 2.07 0.21 -3.12 116.25 116.75 1ujo h VAL 122 Ca 0.11 -1.44 0.11 0.00 0.82 0.00 0.00 66.70 66.30 1ujo h VAL 122 Cb 0.58 1.28 -0.11 0.00 -1.52 0.00 0.00 31.29 31.52 1ujo h VAL 122 CO 0.04 0.49 -0.18 0.74 0.02 0.00 0.00 177.57 178.67 1ujo h THR 123 N 0.76 0.37 0.00 2.57 2.02 0.21 -3.17 112.91 115.66 1ujo h THR 123 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1ujo h THR 123 Cb 0.86 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1ujo h THR 123 CO 0.08 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.26 1ujo n LYS 124 N -5.41 0.00 0.00 6.66 5.02 -1.14 -4.86 118.16 118.44 1ujo n LYS 124 Ca 0.06 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1ujo n LYS 124 Cb 0.32 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.79 1ujo n LYS 124 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1ujo n ASN 125 N -0.06 0.00 -3.43 4.39 0.23 -1.20 -4.93 115.26 110.27 1ujo n ASN 125 Ca 0.00 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 53.85 1ujo n ASN 125 Cb 0.00 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.66 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 0.00 -1.41 0.00 0.53 2.03 -1.26 -4.82 116.55 111.62 1ujo n ASP 126 Ca 0.00 -0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.02 1ujo n ASP 126 Cb 0.00 -1.30 0.00 0.00 -0.72 0.00 0.00 41.12 39.10 1ujo n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ujo n GLY 127 N -0.76 -0.04 0.21 0.27 0.00 -1.26 -4.47 105.19 99.14 1ujo n GLY 127 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1ujo n GLY 127 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ujo h ASN 128 N 0.00 0.90 -1.92 1.61 2.35 -1.87 -3.43 115.58 113.22 1ujo h ASN 128 Ca 0.00 -0.67 -0.60 0.00 -0.55 0.00 0.00 56.30 54.47 1ujo h ASN 128 Cb 0.00 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.11 1ujo h ASN 128 CO 0.00 1.44 1.29 0.00 -1.65 0.00 0.00 177.43 178.51 1ujo n TYR 129 N -3.94 2.15 0.05 1.19 9.36 -1.26 -4.85 117.16 119.86 1ujo n TYR 129 Ca -0.09 -0.06 -0.20 0.00 3.32 0.00 0.00 57.90 60.86 1ujo n TYR 129 Cb 0.78 -2.69 -0.13 0.00 -0.63 0.00 0.00 39.34 36.68 1ujo n TYR 129 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1ujo h ARG 130 N 11.60 0.51 0.00 2.98 2.47 -1.88 -3.44 114.38 126.62 1ujo h ARG 130 Ca -0.43 -0.66 -0.05 0.00 -1.26 0.00 0.00 59.98 57.58 1ujo h ARG 130 Cb 1.27 0.21 0.03 0.00 -1.65 0.00 0.00 29.97 29.83 1ujo h ARG 130 CO 0.96 1.27 -0.02 0.41 0.56 0.00 0.00 179.97 183.15 1ujo n GLY 131 N 1.32 -3.72 3.86 0.04 0.00 -1.26 -4.99 105.19 100.44 1ujo n GLY 131 Ca -0.13 -1.25 -0.36 0.00 0.00 0.00 0.00 46.02 44.29 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 -2.13 6.61 0.14 1.61 1.11 -1.26 -5.00 116.67 117.75 1ujo s ASP 132 Ca 0.09 0.73 -0.05 0.00 0.18 0.00 0.00 52.55 53.50 1ujo s ASP 132 Cb -0.01 -2.16 -0.07 0.00 1.07 0.00 0.00 42.92 41.75 1ujo s ASP 132 CO 0.07 0.28 1.33 1.55 1.18 0.00 0.00 175.17 179.59 1ujo h PRO 133 N 4.31 0.46 -0.04 8.23 0.13 -1.94 -2.98 132.00 140.17 1ujo h PRO 133 Ca -0.51 -0.45 0.01 0.00 -0.87 0.00 0.00 66.00 64.18 1ujo h PRO 133 Cb 1.21 0.12 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1ujo h PRO 133 CO 0.63 1.10 0.30 -2.95 -0.23 0.00 0.00 178.00 176.85 1ujo h ASN 134 N 0.28 0.00 0.05 1.44 7.08 -1.95 0.65 115.58 123.13 1ujo h ASN 134 Ca -0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.16 1ujo h ASN 134 Cb 1.50 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.72 1ujo h ASN 134 CO 0.16 0.00 -0.14 -0.50 -2.08 0.00 0.00 177.43 174.86 1ujo h TRP 135 N 0.00 -0.41 0.16 4.14 6.55 -1.94 -3.29 115.95 121.16 1ujo h TRP 135 Ca 0.02 0.01 -0.35 0.00 0.95 0.00 0.00 58.89 59.52 1ujo h TRP 135 Cb 0.61 0.17 0.00 0.00 -0.86 0.00 0.00 29.16 29.09 1ujo h TRP 135 CO 0.00 -0.17 -1.75 0.74 -1.05 0.00 0.00 178.44 176.21 1ujo h PHE 136 N -0.22 0.62 -3.20 0.49 0.04 -1.58 -3.44 116.94 109.66 1ujo h PHE 136 Ca -0.00 -0.45 -0.57 0.00 2.80 0.00 0.00 57.97 59.74 1ujo h PHE 136 Cb 0.21 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.29 1ujo h PHE 136 CO -0.30 1.63 1.06 1.41 -0.60 0.00 0.00 178.31 181.51 1ujo s MET 137 N -2.58 3.65 -0.07 1.51 1.75 0.22 -4.89 119.30 118.90 1ujo s MET 137 Ca -0.15 1.06 -0.04 0.00 -1.25 0.00 0.00 55.69 55.31 1ujo s MET 137 Cb 0.06 -4.00 -0.01 0.00 2.84 0.00 0.00 34.83 33.72 1ujo s MET 137 CO 0.84 -1.46 -0.07 -0.22 -0.65 0.00 0.00 175.02 173.46 1ujo h LYS 138 N 10.47 0.00 -4.36 4.11 3.11 -1.85 -3.35 116.57 124.71 1ujo h LYS 138 Ca -0.28 0.00 -0.18 0.00 -2.81 0.00 0.00 60.65 57.38 1ujo h LYS 138 Cb 1.11 0.00 -0.14 0.00 -1.00 0.00 0.00 32.23 32.20 1ujo h LYS 138 CO 1.07 0.00 -0.55 0.45 -2.81 0.00 0.00 179.45 177.60 1ujo s SER 139 N -4.57 0.18 0.00 4.20 0.15 -1.26 -5.05 113.70 107.35 1ujo s SER 139 Ca -0.06 -1.21 0.00 0.00 0.70 0.00 0.00 55.95 55.38 1ujo s SER 139 Cb 0.01 0.37 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1ujo s SER 139 CO 0.09 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.31 1ujo n GLY 140 N -0.20 4.74 3.55 9.45 0.00 -1.26 -5.04 105.19 116.45 1ujo n GLY 140 Ca -0.03 -1.15 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 1ujo n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ujo s PRO 141 N -4.14 2.98 0.20 1.61 0.04 -1.26 -4.95 135.00 129.48 1ujo s PRO 141 Ca 0.00 -0.16 -0.33 0.00 0.04 0.00 0.00 61.00 60.55 1ujo s PRO 141 Cb 0.00 -4.63 -0.13 0.00 0.04 0.00 0.00 34.50 29.77 1ujo s PRO 141 CO 0.00 -2.57 1.55 0.45 0.04 0.00 0.00 177.00 176.48 1ujo n SER 142 N 11.16 3.20 -4.83 6.66 2.88 -1.26 -4.95 113.62 126.48 1ujo n SER 142 Ca 0.21 1.10 -0.33 0.00 -1.33 0.00 0.00 58.87 58.53 1ujo n SER 142 Cb 0.50 -1.46 -0.04 0.00 -0.75 0.00 0.00 64.21 62.45 1ujo n SER 142 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1ujo s SER 143 N 0.74 6.67 0.00 -3.46 0.15 -1.26 -5.28 113.70 111.27 1ujo s SER 143 Ca 0.74 1.64 0.00 0.00 0.70 0.00 0.00 55.95 59.03 1ujo s SER 143 Cb -0.63 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.16 1ujo s SER 143 CO 0.41 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.91