#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 -1.12 -3.69 1.61 7.64 -1.26 -5.12 113.62 111.68 1ujo n SER 2 Ca 0.00 0.55 -0.15 0.00 1.01 0.00 0.00 58.87 60.28 1ujo n SER 2 Cb 0.00 1.36 -0.15 0.00 -1.01 0.00 0.00 64.21 64.41 1ujo n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1ujo s SER 3 N -2.00 0.35 0.00 6.43 1.04 -1.26 -5.14 113.70 113.12 1ujo s SER 3 Ca 0.00 0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.82 1ujo s SER 3 Cb 0.00 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1ujo s SER 3 CO 0.00 -0.21 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1ujo n GLY 4 N 4.93 1.12 3.62 7.32 0.00 -1.26 -5.17 105.19 115.75 1ujo n GLY 4 Ca -0.13 -0.69 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 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 0.00 -0.75 0.39 1.61 1.04 -1.26 -5.06 113.70 109.67 1ujo s SER 5 Ca 0.00 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.60 1ujo s SER 5 Cb 0.00 1.41 0.00 0.00 0.10 0.00 0.00 66.02 67.53 1ujo s SER 5 CO 0.00 -0.18 0.00 -0.24 0.98 0.00 0.00 173.24 173.80 1ujo n SER 6 N 4.20 -2.21 -3.38 7.02 2.88 -1.26 -4.67 113.62 116.20 1ujo n SER 6 Ca -0.18 0.71 -0.03 0.00 -1.33 0.00 0.00 58.87 58.04 1ujo n SER 6 Cb 0.57 2.17 0.02 0.00 -0.75 0.00 0.00 64.21 66.22 1ujo n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1ujo s GLY 7 N -3.56 0.10 0.66 0.46 0.00 -1.26 -4.28 107.32 99.45 1ujo s GLY 7 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 44.72 44.30 1ujo s GLY 7 CO 0.00 2.43 1.05 -0.54 0.00 0.00 0.00 173.10 176.04 1ujo s GLU 8 N -2.20 3.23 0.65 2.90 2.02 -1.26 -4.82 118.70 119.22 1ujo s GLU 8 Ca 0.22 0.78 0.44 0.00 0.02 0.00 0.00 54.97 56.43 1ujo s GLU 8 Cb -0.03 -2.04 2.36 0.00 0.10 0.00 0.00 34.13 34.53 1ujo s GLU 8 CO 0.05 -0.84 2.34 1.05 0.02 0.00 0.00 175.26 177.87 1ujo h GLU 9 N -0.52 0.00 0.02 1.61 4.11 -2.02 0.38 114.58 118.16 1ujo h GLU 9 Ca -0.44 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 58.83 1ujo h GLU 9 Cb 1.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 1ujo h GLU 9 CO 0.60 0.00 -0.84 1.25 0.07 0.00 0.00 179.01 180.09 1ujo h LEU 10 N 0.00 0.07 -0.50 3.06 5.85 -2.02 -3.37 115.31 118.41 1ujo h LEU 10 Ca 0.00 -0.75 0.04 0.00 0.84 0.00 0.00 57.88 58.02 1ujo h LEU 10 Cb 0.01 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 1ujo h LEU 10 CO 0.00 1.34 0.25 -0.08 -0.34 0.00 0.00 178.44 179.61 1ujo h GLU 11 N -0.87 0.47 -0.93 1.25 4.81 -1.71 -2.28 114.58 115.31 1ujo h GLU 11 Ca -0.22 -0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.17 1ujo h GLU 11 Cb 1.28 -0.11 -0.18 0.00 0.63 0.00 0.00 28.75 30.38 1ujo h GLU 11 CO -0.09 0.31 -0.24 0.39 -0.73 0.00 0.00 179.01 178.66 1ujo n GLU 12 N -4.90 -0.09 0.34 1.92 -0.58 0.05 0.03 120.64 117.42 1ujo n GLU 12 Ca 0.04 1.45 -0.17 0.00 -0.42 0.00 0.00 57.16 58.06 1ujo n GLU 12 Cb 0.14 -2.17 -0.09 0.00 -0.57 0.00 0.00 31.44 28.75 1ujo n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ujo h ARG 13 N 0.00 -0.82 -0.94 3.49 -0.00 -1.57 0.78 114.38 115.32 1ujo h ARG 13 Ca 0.44 0.06 0.15 0.00 -0.50 0.00 0.00 59.98 60.13 1ujo h ARG 13 Cb 0.68 0.19 -0.15 0.00 0.00 0.00 0.00 29.97 30.68 1ujo h ARG 13 CO -0.96 -0.52 -0.39 -0.07 0.00 0.00 0.00 179.97 178.03 1ujo h LEU 14 N -0.92 -1.42 0.50 3.04 4.07 -0.22 1.61 115.31 121.98 1ujo h LEU 14 Ca -0.09 0.30 -0.02 0.00 0.08 0.00 0.00 57.88 58.15 1ujo h LEU 14 Cb 0.67 0.74 0.00 0.00 1.08 0.00 0.00 40.66 43.16 1ujo h LEU 14 CO 0.14 -0.29 -0.24 0.58 -1.08 0.00 0.00 178.44 177.55 1ujo h VAL 15 N -0.02 0.00 -1.51 1.22 2.07 -0.78 0.84 116.25 118.06 1ujo h VAL 15 Ca 0.33 -0.23 0.49 0.00 0.82 0.00 0.00 66.70 68.10 1ujo h VAL 15 Cb 0.59 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.24 1ujo h VAL 15 CO -0.95 0.00 1.01 -0.33 0.02 0.00 0.00 177.57 177.33 1ujo h GLU 16 N -0.90 0.03 0.24 1.57 5.08 0.17 0.65 114.58 121.42 1ujo h GLU 16 Ca -0.07 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ujo h GLU 16 Cb 0.51 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1ujo h GLU 16 CO 0.11 0.02 -0.12 2.35 -1.00 0.00 0.00 179.01 180.37 1ujo h TRP 17 N 0.03 -0.30 -1.04 4.33 7.01 0.25 -2.78 115.95 123.45 1ujo h TRP 17 Ca 0.87 -0.01 0.30 0.00 2.11 0.00 0.00 58.89 62.16 1ujo h TRP 17 Cb 2.98 0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 30.10 1ujo h TRP 17 CO -0.00 -0.19 0.94 0.82 -2.79 0.00 0.00 178.44 177.22 1ujo h ILE 18 N -0.95 0.21 0.23 2.65 2.04 0.23 1.37 117.51 123.29 1ujo h ILE 18 Ca -0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 1ujo h ILE 18 Cb 0.25 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1ujo h ILE 18 CO 0.06 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.67 1ujo h VAL 19 N 0.00 0.81 -0.25 1.67 2.07 0.10 0.41 116.25 121.06 1ujo h VAL 19 Ca 0.49 -0.77 -0.14 0.00 0.82 0.00 0.00 66.70 67.10 1ujo h VAL 19 Cb 2.37 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.35 1ujo h VAL 19 CO -0.01 0.16 -0.42 -0.37 0.02 0.00 0.00 177.57 176.95 1ujo h VAL 20 N -0.74 1.30 0.13 2.57 -1.51 0.63 1.47 116.25 120.10 1ujo h VAL 20 Ca -0.03 -1.60 -0.01 0.00 -1.23 0.00 0.00 66.70 63.83 1ujo h VAL 20 Cb 0.50 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1ujo h VAL 20 CO 0.05 0.51 -0.06 1.56 -1.23 0.00 0.00 177.57 178.40 1ujo h GLN 21 N 0.49 -0.17 0.11 5.19 1.08 0.14 -3.34 115.11 118.61 1ujo h GLN 21 Ca 0.04 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1ujo h GLN 21 Cb 0.94 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.41 1ujo h GLN 21 CO 0.08 -0.11 -0.05 0.00 -0.95 0.00 0.00 178.83 177.80 1ujo n GLY 23 N -0.22 1.58 2.31 0.00 0.00 0.50 -4.79 105.19 104.56 1ujo n GLY 23 Ca -0.09 -2.23 -0.19 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.86 2.16 0.01 1.61 -0.04 -1.25 -3.45 135.00 133.18 1ujo n PRO 24 Ca 0.00 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 1ujo n PRO 24 Cb 0.00 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 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 3.29 0.08 0.17 3.54 -0.08 -1.26 -4.75 116.55 117.54 1ujo n ASP 25 Ca 0.46 0.03 0.04 0.00 -1.51 0.00 0.00 54.79 53.81 1ujo n ASP 25 Cb 0.43 -0.01 0.44 0.00 2.34 0.00 0.00 41.12 44.31 1ujo n ASP 25 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1ujo h VAL 26 N 0.00 1.16 0.00 5.18 -1.51 -1.91 -3.48 116.25 115.69 1ujo h VAL 26 Ca 0.00 -0.76 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 1ujo h VAL 26 Cb 0.62 1.31 0.00 0.00 -2.13 0.00 0.00 31.29 31.09 1ujo h VAL 26 CO 0.00 0.23 0.00 0.61 -1.23 0.00 0.00 177.57 177.18 1ujo n GLY 27 N -0.90 -0.21 3.41 5.19 0.00 -1.26 -4.98 105.19 106.44 1ujo n GLY 27 Ca -0.02 -1.37 -0.20 0.00 0.00 0.00 0.00 46.02 44.43 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 1.59 0.64 1.61 0.52 -1.26 -4.85 118.95 117.20 1ujo s ARG 28 Ca 0.00 -1.88 -0.13 0.00 -0.52 0.00 0.00 55.73 53.20 1ujo s ARG 28 Cb 0.00 -0.62 -0.02 0.00 0.52 0.00 0.00 34.95 34.84 1ujo s ARG 28 CO 0.00 -0.25 1.05 -1.25 0.02 0.00 0.00 175.30 174.87 1ujo s PRO 29 N -3.93 3.16 0.24 3.54 0.04 -1.26 -5.07 135.00 131.72 1ujo s PRO 29 Ca 0.36 1.06 -0.03 0.00 0.04 0.00 0.00 61.00 62.43 1ujo s PRO 29 Cb 0.08 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.66 1ujo s PRO 29 CO 0.15 -0.93 0.33 -0.25 0.04 0.00 0.00 177.00 176.34 1ujo n ASP 30 N -2.58 0.11 -4.07 6.66 8.00 -1.26 -4.96 116.55 118.45 1ujo n ASP 30 Ca 0.08 -1.17 -0.36 0.00 0.71 0.00 0.00 54.79 54.05 1ujo n ASP 30 Cb 0.53 -0.24 0.04 0.00 -0.02 0.00 0.00 41.12 41.43 1ujo n ASP 30 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1ujo n ARG 31 N -1.68 -0.02 0.00 -1.24 1.74 -1.26 -4.63 116.66 109.57 1ujo n ARG 31 Ca 0.04 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1ujo n ARG 31 Cb 0.15 -1.09 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 1ujo n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ujo n GLY 32 N 3.19 -2.64 5.00 -0.13 0.00 -1.26 -3.68 105.19 105.66 1ujo n GLY 32 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1ujo n GLY 32 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1ujo n ARG 33 N 0.00 0.00 -3.33 1.61 3.00 -1.26 -4.07 116.66 112.61 1ujo n ARG 33 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.72 1ujo n ARG 33 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1ujo n ARG 33 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1ujo s LEU 34 N 0.00 -0.39 0.08 6.15 2.34 -1.26 -5.00 118.68 120.60 1ujo s LEU 34 Ca 0.00 -1.32 0.00 0.00 0.06 0.00 0.00 54.13 52.87 1ujo s LEU 34 Cb 0.00 0.86 0.00 0.00 -0.56 0.00 0.00 46.19 46.49 1ujo s LEU 34 CO 0.00 -0.25 0.00 0.61 -1.06 0.00 0.00 176.35 175.65 1ujo n GLY 35 N 4.39 -0.74 0.26 -3.48 0.00 -1.24 -4.85 105.19 99.53 1ujo n GLY 35 Ca 0.10 0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.25 1ujo n GLY 35 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ujo h PHE 36 N 0.00 -0.39 -0.80 1.61 3.57 -1.83 0.67 116.94 119.77 1ujo h PHE 36 Ca 0.00 0.06 0.18 0.00 3.53 0.00 0.00 57.97 61.74 1ujo h PHE 36 Cb 0.00 0.27 -0.12 0.00 2.79 0.00 0.00 35.95 38.90 1ujo h PHE 36 CO 0.00 -0.29 0.25 0.37 -2.23 0.00 0.00 178.31 176.40 1ujo h GLN 37 N -0.01 0.30 -0.07 1.11 -0.00 -1.92 0.45 115.11 114.96 1ujo h GLN 37 Ca 0.31 -0.02 -0.19 0.00 -0.00 0.00 0.00 58.65 58.75 1ujo h GLN 37 Cb 0.49 -0.07 -0.00 0.00 0.00 0.00 0.00 27.48 27.90 1ujo h GLN 37 CO -0.68 0.20 -0.76 0.28 0.00 0.00 0.00 178.83 177.87 1ujo h VAL 38 N 0.31 1.38 -0.66 2.39 2.07 -0.86 -2.14 116.25 118.73 1ujo h VAL 38 Ca 0.47 -2.17 0.09 0.00 0.82 0.00 0.00 66.70 65.90 1ujo h VAL 38 Cb 0.84 2.15 -0.07 0.00 -1.52 0.00 0.00 31.29 32.69 1ujo h VAL 38 CO -0.53 0.66 0.31 -0.25 0.02 0.00 0.00 177.57 177.77 1ujo h TRP 39 N 0.29 0.55 -1.25 1.57 7.01 0.44 -0.80 115.95 123.76 1ujo h TRP 39 Ca -0.04 0.03 -0.66 0.00 2.11 0.00 0.00 58.89 60.33 1ujo h TRP 39 Cb 1.35 -0.15 -0.34 0.00 -2.10 0.00 0.00 29.16 27.92 1ujo h TRP 39 CO 0.05 0.20 0.28 1.28 -2.79 0.00 0.00 178.44 177.46 1ujo n LEU 40 N -4.90 6.57 -0.10 0.65 4.77 0.58 -4.53 117.00 120.04 1ujo n LEU 40 Ca 0.09 -4.66 -0.19 0.00 -0.03 0.00 0.00 56.01 51.22 1ujo n LEU 40 Cb 0.25 -0.77 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 1ujo n LEU 40 CO 0.25 1.80 -1.06 1.17 -1.33 0.00 0.00 177.39 178.22 1ujo n LYS 41 N -0.72 0.48 -0.15 3.23 4.81 -0.31 -4.60 118.16 120.91 1ujo n LYS 41 Ca 0.53 0.20 -0.08 0.00 -0.87 0.00 0.00 58.31 58.10 1ujo n LYS 41 Cb 0.63 -1.31 -0.02 0.00 0.02 0.00 0.00 35.03 34.35 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 -0.84 -1.24 0.00 3.14 4.21 -1.80 -3.45 115.58 115.60 1ujo h ASN 42 Ca -0.39 0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.33 1ujo h ASN 42 Cb 1.29 0.57 0.00 0.00 -1.12 0.00 0.00 38.32 39.06 1ujo h ASN 42 CO -0.24 -0.33 0.00 0.61 -1.29 0.00 0.00 177.43 176.18 1ujo n GLY 43 N -1.42 1.79 0.28 2.83 0.00 -1.26 -4.56 105.19 102.85 1ujo n GLY 43 Ca 0.01 -0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 0.44 0.33 1.61 2.07 -1.89 0.90 116.25 119.71 1ujo h VAL 44 Ca 0.00 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1ujo h VAL 44 Cb 0.00 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1ujo h VAL 44 CO 0.00 0.04 -0.16 0.40 0.02 0.00 0.00 177.57 177.88 1ujo h ILE 45 N 0.25 0.69 -0.47 4.57 2.04 -1.91 0.17 117.51 122.84 1ujo h ILE 45 Ca 0.46 -0.39 0.10 0.00 1.00 0.00 0.00 64.86 66.02 1ujo h ILE 45 Cb 0.84 0.90 -0.09 0.00 -0.74 0.00 0.00 36.82 37.73 1ujo h ILE 45 CO -0.57 0.08 -0.14 -0.07 0.00 0.00 0.00 178.15 177.45 1ujo h LEU 46 N -0.66 -0.50 -1.41 1.44 3.38 -1.36 0.58 115.31 116.78 1ujo h LEU 46 Ca -0.05 0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1ujo h LEU 46 Cb 0.47 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1ujo h LEU 46 CO 0.07 -0.18 0.22 0.28 0.09 0.00 0.00 178.44 178.93 1ujo h SER 47 N -0.03 0.55 -0.17 -0.43 0.02 0.84 -1.10 113.55 113.24 1ujo h SER 47 Ca 0.23 -0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.03 1ujo h SER 47 Cb 0.37 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 1ujo h SER 47 CO -0.50 0.47 -0.23 0.11 -1.14 0.00 0.00 176.83 175.54 1ujo h LYS 48 N 0.62 0.62 0.00 3.45 1.57 0.27 -2.05 116.57 121.06 1ujo h LYS 48 Ca 0.16 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1ujo h LYS 48 Cb 0.06 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1ujo h LYS 48 CO -0.02 0.80 0.00 -0.11 -0.57 0.00 0.00 179.45 179.55 1ujo n LEU 49 N -4.12 0.00 -0.32 2.94 7.94 0.16 -0.75 117.00 122.84 1ujo n LEU 49 Ca -0.00 0.80 0.06 0.00 -1.11 0.00 0.00 56.01 55.76 1ujo n LEU 49 Cb 0.41 -0.30 0.15 0.00 0.53 0.00 0.00 43.42 44.22 1ujo n LEU 49 CO 0.43 -0.30 0.71 1.62 -1.11 0.00 0.00 177.39 178.74 1ujo h VAL 50 N 0.00 0.09 -0.37 1.96 3.04 -1.56 0.30 116.25 119.71 1ujo h VAL 50 Ca 0.00 -0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.73 1ujo h VAL 50 Cb 0.00 0.08 -0.08 0.00 -2.01 0.00 0.00 31.29 29.28 1ujo h VAL 50 CO 0.00 0.00 -0.56 0.78 -1.01 0.00 0.00 177.57 176.78 1ujo h ASN 51 N 0.01 -1.85 -0.90 3.17 2.35 -1.21 0.52 115.58 117.67 1ujo h ASN 51 Ca 0.46 0.24 0.16 0.00 -0.55 0.00 0.00 56.30 56.61 1ujo h ASN 51 Cb 0.76 0.75 -0.16 0.00 0.05 0.00 0.00 38.32 39.72 1ujo h ASN 51 CO -0.92 -0.42 -0.31 0.28 -1.65 0.00 0.00 177.43 174.41 1ujo h SER 52 N -0.42 -1.14 0.00 5.81 0.02 0.18 -2.48 113.55 115.51 1ujo h SER 52 Ca 0.07 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1ujo h SER 52 Cb 0.61 0.65 0.00 0.00 0.14 0.00 0.00 62.40 63.80 1ujo h SER 52 CO -0.57 -0.30 0.00 0.18 -1.14 0.00 0.00 176.83 175.00 1ujo n LEU 53 N -5.52 0.00 -4.53 5.07 4.77 0.08 -4.61 117.00 112.27 1ujo n LEU 53 Ca 0.11 0.53 -0.49 0.00 -0.03 0.00 0.00 56.01 56.13 1ujo n LEU 53 Cb 0.42 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.45 1ujo n LEU 53 CO -0.09 -0.03 0.50 -1.22 -1.33 0.00 0.00 177.39 175.23 1ujo n TYR 54 N -0.81 0.80 -1.22 -1.77 4.01 -0.63 -4.90 117.16 112.64 1ujo n TYR 54 Ca 0.00 0.80 -0.19 0.00 -0.16 0.00 0.00 57.90 58.35 1ujo n TYR 54 Cb 0.00 -2.18 0.14 0.00 -0.31 0.00 0.00 39.34 37.00 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 1.35 -1.57 -1.90 -0.72 -0.04 -1.26 -4.55 135.00 126.30 1ujo n PRO 55 Ca 0.15 -1.20 -0.41 0.00 -0.04 0.00 0.00 63.50 62.00 1ujo n PRO 55 Cb 0.24 -0.95 -0.02 0.00 -0.04 0.00 0.00 33.50 32.74 1ujo n PRO 55 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1ujo s GLU 56 N -4.70 4.20 0.00 0.54 2.02 -1.26 -1.43 118.70 118.07 1ujo s GLU 56 Ca 0.46 2.44 0.00 0.00 0.02 0.00 0.00 54.97 57.89 1ujo s GLU 56 Cb -0.03 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.15 1ujo s GLU 56 CO 0.34 -0.50 0.00 0.41 0.02 0.00 0.00 175.26 175.53 1ujo n GLY 57 N 1.87 2.47 0.08 -1.39 0.00 -1.26 -4.76 105.19 102.19 1ujo n GLY 57 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 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 0.11 -3.80 1.61 2.88 -0.51 -4.94 113.62 108.97 1ujo n SER 58 Ca 0.00 0.05 -0.50 0.00 -1.33 0.00 0.00 58.87 57.09 1ujo n SER 58 Cb 0.00 1.09 -0.11 0.00 -0.75 0.00 0.00 64.21 64.44 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 -2.67 0.00 -0.01 -1.46 0.00 -1.04 -4.79 118.16 108.19 1ujo n LYS 59 Ca -0.24 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 57.96 1ujo n LYS 59 Cb 1.00 -1.33 -0.09 0.00 -0.00 0.00 0.00 35.03 34.61 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 8.45 -0.09 -7.37 -1.58 0.13 -1.93 -3.46 132.00 126.16 1ujo h PRO 60 Ca -0.08 0.01 -0.50 0.00 -0.87 0.00 0.00 66.00 64.56 1ujo h PRO 60 Cb 1.24 0.02 0.07 0.00 0.13 0.00 0.00 31.00 32.46 1ujo h PRO 60 CO 1.01 0.49 0.39 0.08 -0.23 0.00 0.00 178.00 179.74 1ujo s VAL 61 N -3.06 4.14 -0.34 1.56 1.01 -1.26 -5.06 120.40 117.39 1ujo s VAL 61 Ca -0.14 0.62 -0.00 0.00 0.00 0.00 0.00 61.98 62.46 1ujo s VAL 61 Cb -0.00 -3.68 0.11 0.00 0.00 0.00 0.00 36.38 32.81 1ujo s VAL 61 CO 0.54 -0.87 0.14 -0.54 0.00 0.00 0.00 175.10 174.36 1ujo s LYS 62 N -5.22 0.84 -0.22 2.72 1.02 -1.26 -4.97 119.74 112.65 1ujo s LYS 62 Ca 0.56 -1.31 -0.29 0.00 0.02 0.00 0.00 55.97 54.96 1ujo s LYS 62 Cb -0.11 -2.03 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1ujo s LYS 62 CO 0.52 -1.04 1.94 0.08 -0.92 0.00 0.00 175.35 175.93 1ujo s VAL 63 N 1.29 3.28 0.77 3.17 1.01 -1.26 -4.96 120.40 123.71 1ujo s VAL 63 Ca 0.12 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.29 1ujo s VAL 63 Cb -0.19 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 32.91 1ujo s VAL 63 CO -0.18 -0.18 1.09 -2.16 0.00 0.00 0.00 175.10 173.67 1ujo s PRO 64 N 5.57 2.27 0.02 2.72 0.04 -1.26 -5.01 135.00 139.36 1ujo s PRO 64 Ca 0.87 0.71 -0.27 0.00 0.04 0.00 0.00 61.00 62.35 1ujo s PRO 64 Cb -0.30 -1.93 -0.15 0.00 0.04 0.00 0.00 34.50 32.16 1ujo s PRO 64 CO 0.34 -1.50 1.20 0.93 0.04 0.00 0.00 177.00 178.00 1ujo h GLU 65 N -1.01 -0.93 -5.95 4.56 5.08 -2.07 -3.42 114.58 110.85 1ujo h GLU 65 Ca -0.46 0.06 -0.57 0.00 -1.00 0.00 0.00 59.36 57.39 1ujo h GLU 65 Cb 1.26 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 30.66 1ujo h GLU 65 CO 0.59 -0.62 0.07 -0.80 -1.00 0.00 0.00 179.01 177.24 1ujo s ASN 66 N -4.07 6.91 0.48 1.42 0.01 -1.26 -5.05 114.94 113.38 1ujo s ASN 66 Ca -0.14 1.09 -0.20 0.00 -0.71 0.00 0.00 52.86 52.90 1ujo s ASN 66 Cb 0.01 -2.39 -0.08 0.00 0.41 0.00 0.00 41.25 39.20 1ujo s ASN 66 CO 0.42 -0.12 1.04 -2.16 -1.51 0.00 0.00 177.10 174.77 1ujo s PRO 67 N 0.93 3.82 0.40 -0.60 0.04 -1.26 -5.06 135.00 133.27 1ujo s PRO 67 Ca 0.35 1.37 -0.07 0.00 0.04 0.00 0.00 61.00 62.69 1ujo s PRO 67 Cb -0.17 -2.12 0.10 0.00 0.04 0.00 0.00 34.50 32.35 1ujo s PRO 67 CO 0.16 -0.42 0.44 -0.35 0.04 0.00 0.00 177.00 176.87 1ujo n PRO 68 N -0.91 -1.12 0.00 0.56 -0.04 -1.26 -5.03 135.00 127.20 1ujo n PRO 68 Ca 0.09 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 1ujo n PRO 68 Cb 0.52 -0.54 0.00 0.00 -0.04 0.00 0.00 33.50 33.44 1ujo n PRO 68 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujo n SER 69 N -3.49 0.00 -4.77 3.54 2.88 -1.26 -4.86 113.62 105.65 1ujo n SER 69 Ca 0.06 0.00 -0.41 0.00 -1.33 0.00 0.00 58.87 57.19 1ujo n SER 69 Cb 0.21 0.24 -0.01 0.00 -0.75 0.00 0.00 64.21 63.90 1ujo n SER 69 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1ujo s MET 70 N -1.52 4.16 0.00 -1.46 -1.94 -1.26 -4.55 119.30 112.73 1ujo s MET 70 Ca 0.00 2.50 0.00 0.00 -1.71 0.00 0.00 55.69 56.48 1ujo s MET 70 Cb 0.00 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.84 1ujo s MET 70 CO 0.00 -0.49 0.95 1.55 -0.01 0.00 0.00 175.02 177.02 1ujo n VAL 71 N 0.92 0.00 0.30 -6.03 3.14 -1.26 0.23 118.33 115.63 1ujo n VAL 71 Ca 0.02 1.45 0.14 0.00 -2.96 0.00 0.00 64.34 62.99 1ujo n VAL 71 Cb 0.39 -2.03 0.67 0.00 -1.06 0.00 0.00 33.84 31.81 1ujo n VAL 71 CO 0.00 0.00 0.00 -0.26 -6.46 0.00 0.00 176.83 170.11 1ujo h PHE 72 N 0.00 0.00 0.00 1.45 -1.00 -1.98 0.75 116.94 116.16 1ujo h PHE 72 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ujo h PHE 72 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1ujo h PHE 72 CO -0.68 0.00 0.00 1.63 -1.61 0.00 0.00 178.31 177.65 1ujo n LYS 73 N -2.91 0.00 -0.29 1.51 4.76 0.35 -3.51 118.16 118.07 1ujo n LYS 73 Ca -0.00 0.40 0.09 0.00 -2.87 0.00 0.00 58.31 55.92 1ujo n LYS 73 Cb 0.53 -0.89 0.24 0.00 -1.84 0.00 0.00 35.03 33.07 1ujo n LYS 73 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1ujo h GLN 74 N 0.00 0.50 -0.82 1.97 4.20 0.33 0.63 115.11 121.93 1ujo h GLN 74 Ca 0.00 -0.03 0.19 0.00 0.06 0.00 0.00 58.65 58.87 1ujo h GLN 74 Cb 0.00 -0.11 -0.12 0.00 0.30 0.00 0.00 27.48 27.55 1ujo h GLN 74 CO 0.00 0.33 0.27 0.52 -0.67 0.00 0.00 178.83 179.28 1ujo h MET 75 N 0.51 0.32 -0.77 1.46 2.86 0.35 0.26 114.93 119.92 1ujo h MET 75 Ca 0.48 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 58.13 1ujo h MET 75 Cb 0.78 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 1ujo h MET 75 CO -0.42 0.21 0.49 0.93 1.06 0.00 0.00 176.91 179.18 1ujo h GLU 76 N 0.33 0.93 -0.51 1.72 5.08 -0.91 0.46 114.58 121.69 1ujo h GLU 76 Ca 0.48 -0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.88 1ujo h GLU 76 Cb 0.87 -0.21 -0.08 0.00 0.50 0.00 0.00 28.75 29.83 1ujo h GLU 76 CO -0.52 0.62 0.03 0.37 -1.00 0.00 0.00 179.01 178.50 1ujo h GLN 77 N 0.96 0.14 -0.20 2.33 5.75 -0.35 0.48 115.11 124.23 1ujo h GLN 77 Ca 0.31 -0.01 -0.21 0.00 -0.15 0.00 0.00 58.65 58.59 1ujo h GLN 77 Cb 0.01 -0.03 0.01 0.00 1.07 0.00 0.00 27.48 28.53 1ujo h GLN 77 CO -0.11 0.10 -0.70 0.28 -2.65 0.00 0.00 178.83 175.74 1ujo h VAL 78 N 0.15 1.28 -0.39 2.39 2.07 -0.99 -3.14 116.25 117.61 1ujo h VAL 78 Ca 0.26 -1.90 0.07 0.00 0.82 0.00 0.00 66.70 65.96 1ujo h VAL 78 Cb 0.38 1.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.95 1ujo h VAL 78 CO -0.40 0.61 -0.02 0.00 0.02 0.00 0.00 177.57 177.78 1ujo h ALA 79 N 0.61 0.34 -0.62 1.67 0.00 0.12 0.74 119.26 122.12 1ujo h ALA 79 Ca -0.03 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.12 1ujo h ALA 79 Cb 1.33 0.22 -0.09 0.00 0.00 0.00 0.00 17.79 19.24 1ujo h ALA 79 CO 0.15 -0.41 0.13 1.96 0.00 0.00 0.00 179.25 181.08 1ujo h GLN 80 N 0.08 0.25 -0.27 0.00 4.20 -0.07 0.61 115.11 119.90 1ujo h GLN 80 Ca 0.19 -0.01 -0.10 0.00 0.06 0.00 0.00 58.65 58.79 1ujo h GLN 80 Cb 0.28 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1ujo h GLN 80 CO -0.34 0.16 -0.23 0.35 -0.67 0.00 0.00 178.83 178.10 1ujo h PHE 81 N 0.25 0.75 -0.20 2.96 3.57 -1.11 -1.80 116.94 121.37 1ujo h PHE 81 Ca 0.33 -0.22 0.05 0.00 3.53 0.00 0.00 57.97 61.67 1ujo h PHE 81 Cb 0.51 -0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.02 1ujo h PHE 81 CO -0.26 0.93 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.37 1ujo h LEU 82 N 0.36 -1.00 -1.06 0.59 3.38 0.16 1.52 115.31 119.27 1ujo h LEU 82 Ca 0.05 0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.19 1ujo h LEU 82 Cb 0.79 0.44 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1ujo h LEU 82 CO 0.06 -0.34 0.64 0.50 0.09 0.00 0.00 178.44 179.38 1ujo h LYS 83 N -0.35 1.24 -0.59 1.13 3.64 -0.93 -1.03 116.57 119.68 1ujo h LYS 83 Ca 0.11 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1ujo h LYS 83 Cb 0.54 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 32.05 1ujo h LYS 83 CO -0.39 0.82 0.22 0.00 -2.27 0.00 0.00 179.45 177.83 1ujo h ALA 84 N 1.41 0.76 -0.47 5.00 0.00 0.03 -1.73 119.26 124.26 1ujo h ALA 84 Ca 0.36 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1ujo h ALA 84 Cb -0.10 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.42 1ujo h ALA 84 CO -0.09 0.39 0.23 0.00 0.00 0.00 0.00 179.25 179.79 1ujo h ALA 85 N 1.07 0.59 0.14 0.00 0.00 0.31 -2.36 119.26 119.01 1ujo h ALA 85 Ca 0.19 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1ujo h ALA 85 Cb 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ujo h ALA 85 CO -0.01 -0.12 -0.22 1.49 0.00 0.00 0.00 179.25 180.38 1ujo h GLU 86 N 0.46 -0.41 -1.02 0.00 4.81 -0.83 -1.22 114.58 116.38 1ujo h GLU 86 Ca 0.21 0.03 0.33 0.00 -0.13 0.00 0.00 59.36 59.79 1ujo h GLU 86 Cb 0.12 0.09 -0.15 0.00 0.63 0.00 0.00 28.75 29.45 1ujo h GLU 86 CO -0.15 -0.27 0.59 -0.44 -0.73 0.00 0.00 179.01 178.00 1ujo h ASP 87 N -0.43 0.50 -0.33 1.04 3.32 -0.88 0.47 116.42 120.12 1ujo h ASP 87 Ca 0.02 0.19 0.07 0.00 0.02 0.00 0.00 57.03 57.33 1ujo h ASP 87 Cb 0.44 0.13 -0.07 0.00 0.22 0.00 0.00 39.33 40.05 1ujo h ASP 87 CO -0.11 -0.13 -0.11 0.22 -1.72 0.00 0.00 179.24 177.38 1ujo h TYR 88 N 0.31 -0.26 0.00 4.55 3.20 -0.72 -3.45 116.97 120.60 1ujo h TYR 88 Ca 0.74 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.64 1ujo h TYR 88 Cb 1.72 0.17 0.00 0.00 1.54 0.00 0.00 36.73 40.15 1ujo h TYR 88 CO -0.01 -0.18 0.00 0.41 -1.64 0.00 0.00 178.16 176.74 1ujo n GLY 89 N -1.30 0.00 3.64 1.82 0.00 0.16 -5.10 105.19 104.41 1ujo n GLY 89 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 4.61 0.80 1.61 1.01 -1.08 -5.01 120.40 122.34 1ujo s VAL 90 Ca 0.00 -0.11 -0.12 0.00 0.00 0.00 0.00 61.98 61.75 1ujo s VAL 90 Cb 0.00 -3.04 0.19 0.00 0.00 0.00 0.00 36.38 33.53 1ujo s VAL 90 CO 0.00 0.50 0.43 2.30 0.00 0.00 0.00 175.10 178.34 1ujo n ILE 91 N 3.20 0.00 0.73 2.22 -5.35 -1.26 -4.71 119.36 114.19 1ujo n ILE 91 Ca -0.17 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.39 1ujo n ILE 91 Cb 0.53 -0.49 0.05 0.00 -1.74 0.00 0.00 39.64 37.98 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 -3.18 1.49 0.00 6.28 4.01 -1.26 -4.13 118.16 121.38 1ujo n LYS 92 Ca 0.07 -1.32 0.09 0.00 -0.51 0.00 0.00 58.31 56.64 1ujo n LYS 92 Cb 0.30 -1.32 0.06 0.00 -0.51 0.00 0.00 35.03 33.56 1ujo n LYS 92 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 1ujo n THR 93 N 0.64 0.00 0.12 -0.18 -2.24 -1.26 -4.20 114.28 107.16 1ujo n THR 93 Ca 0.09 -0.45 0.07 0.00 -2.27 0.00 0.00 64.05 61.49 1ujo n THR 93 Cb 0.41 1.35 -0.10 0.00 -2.10 0.00 0.00 70.33 69.89 1ujo n THR 93 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ujo n ASP 94 N 0.76 1.67 -4.75 3.42 9.92 -1.26 -4.97 116.55 121.34 1ujo n ASP 94 Ca 0.10 -0.16 -0.40 0.00 -0.53 0.00 0.00 54.79 53.80 1ujo n ASP 94 Cb 0.45 1.49 -0.06 0.00 -0.64 0.00 0.00 41.12 42.37 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1ujo s MET 95 N -2.79 4.80 0.53 -1.24 -1.94 -1.26 -1.76 119.30 115.64 1ujo s MET 95 Ca -0.03 1.44 0.08 0.00 -1.71 0.00 0.00 55.69 55.47 1ujo s MET 95 Cb 0.09 -3.29 0.06 0.00 2.01 0.00 0.00 34.83 33.69 1ujo s MET 95 CO 0.55 0.48 0.63 -0.59 -0.01 0.00 0.00 175.02 176.08 1ujo s PHE 96 N -0.99 1.75 -0.11 -0.03 -0.71 -1.26 -5.00 117.98 111.63 1ujo s PHE 96 Ca 0.41 -0.69 -0.12 0.00 -1.04 0.00 0.00 56.93 55.49 1ujo s PHE 96 Cb -0.25 -2.15 -0.05 0.00 -1.21 0.00 0.00 43.02 39.36 1ujo s PHE 96 CO 0.31 -0.81 0.26 -0.65 -1.34 0.00 0.00 175.22 173.00 1ujo s GLN 97 N -4.48 3.94 0.28 1.99 -0.21 -1.26 -4.96 119.66 114.94 1ujo s GLN 97 Ca 0.53 0.08 0.07 0.00 0.02 0.00 0.00 55.36 56.06 1ujo s GLN 97 Cb -0.05 -3.31 0.80 0.00 1.00 0.00 0.00 33.01 31.45 1ujo s GLN 97 CO 0.33 0.51 1.33 2.41 -2.12 0.00 0.00 175.29 177.75 1ujo n THR 98 N 2.69 -0.36 0.16 -0.19 -1.04 -1.26 0.19 114.28 114.47 1ujo n THR 98 Ca -0.15 1.82 -0.14 0.00 -2.04 0.00 0.00 64.05 63.54 1ujo n THR 98 Cb 0.53 -2.74 -0.08 0.00 -1.82 0.00 0.00 70.33 66.22 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 0.77 -1.84 12.58 3.04 -1.96 1.15 116.25 129.99 1ujo h VAL 99 Ca 0.58 -0.10 0.53 0.00 -1.01 0.00 0.00 66.70 66.71 1ujo h VAL 99 Cb 1.32 0.83 -0.07 0.00 -2.01 0.00 0.00 31.29 31.35 1ujo h VAL 99 CO -0.75 0.02 1.35 0.44 -1.01 0.00 0.00 177.57 177.62 1ujo h ASP 100 N -0.38 0.00 0.00 3.17 3.32 0.18 1.48 116.42 124.18 1ujo h ASP 100 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 1ujo h ASP 100 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1ujo h ASP 100 CO 0.06 0.00 -0.52 -0.11 -1.72 0.00 0.00 179.24 176.95 1ujo n LEU 101 N -3.93 1.18 -0.16 1.55 7.94 -0.57 -1.76 117.00 121.25 1ujo n LEU 101 Ca 0.41 0.30 -0.06 0.00 -1.11 0.00 0.00 56.01 55.55 1ujo n LEU 101 Cb 1.91 -0.68 -0.00 0.00 0.53 0.00 0.00 43.42 45.18 1ujo n LEU 101 CO 0.43 -0.40 0.63 0.22 -1.11 0.00 0.00 177.39 177.17 1ujo h TYR 102 N -0.62 -0.91 0.00 1.96 3.20 0.24 0.14 116.97 120.98 1ujo h TYR 102 Ca 0.00 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.94 1ujo h TYR 102 Cb 0.52 0.47 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1ujo h TYR 102 CO -0.22 -0.38 -0.28 0.93 -1.64 0.00 0.00 178.16 176.57 1ujo h GLU 103 N -0.20 0.00 -1.43 1.82 4.39 0.18 -3.48 114.58 115.87 1ujo h GLU 103 Ca 0.20 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.67 1ujo h GLU 103 Cb 0.54 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.16 1ujo h GLU 103 CO -0.61 0.00 -0.28 0.41 -1.16 0.00 0.00 179.01 177.37 1ujo n GLY 104 N 1.22 0.18 0.10 -3.84 0.00 0.48 -4.95 105.19 98.38 1ujo n GLY 104 Ca 0.04 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -0.25 -4.39 1.61 1.57 -1.43 -3.38 116.57 110.30 1ujo h LYS 105 Ca -0.27 0.02 -0.71 0.00 -1.87 0.00 0.00 60.65 57.82 1ujo h LYS 105 Cb 1.11 0.06 -0.32 0.00 0.08 0.00 0.00 32.23 33.16 1ujo h LYS 105 CO 0.33 -0.16 -0.47 -0.51 -0.57 0.00 0.00 179.45 178.07 1ujo s ASP 106 N -2.42 5.49 -0.06 0.86 1.11 -1.18 -4.93 116.67 115.54 1ujo s ASP 106 Ca -0.04 -1.95 -0.23 0.00 0.18 0.00 0.00 52.55 50.51 1ujo s ASP 106 Cb 0.00 -1.93 -0.27 0.00 1.07 0.00 0.00 42.92 41.80 1ujo s ASP 106 CO 0.12 -0.62 0.94 0.24 1.18 0.00 0.00 175.17 177.03 1ujo h MET 107 N 8.26 0.24 -1.28 8.23 2.86 -1.76 -3.25 114.93 128.24 1ujo h MET 107 Ca -0.17 -0.33 0.46 0.00 -2.06 0.00 0.00 59.70 57.60 1ujo h MET 107 Cb 1.06 0.11 -0.15 0.00 0.06 0.00 0.00 31.60 32.68 1ujo h MET 107 CO 0.78 1.10 0.79 0.00 1.06 0.00 0.00 176.91 180.64 1ujo h ALA 108 N 0.15 2.65 0.36 6.32 0.00 -1.94 0.90 119.26 127.71 1ujo h ALA 108 Ca -0.08 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ujo h ALA 108 Cb 1.31 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1ujo h ALA 108 CO 0.09 -1.36 -0.17 0.00 0.00 0.00 0.00 179.25 177.80 1ujo h ALA 109 N 1.71 -0.49 -1.82 0.00 0.00 -1.93 -0.60 119.26 116.13 1ujo h ALA 109 Ca 0.87 -0.19 0.53 0.00 0.00 0.00 0.00 54.91 56.12 1ujo h ALA 109 Cb 2.66 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 20.56 1ujo h ALA 109 CO -0.54 -0.58 1.37 0.28 0.00 0.00 0.00 179.25 179.78 1ujo h VAL 110 N -0.88 0.03 0.00 0.00 2.07 0.77 0.77 116.25 119.01 1ujo h VAL 110 Ca -0.05 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1ujo h VAL 110 Cb 0.54 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 1ujo h VAL 110 CO 0.08 0.00 -0.46 1.56 0.02 0.00 0.00 177.57 178.77 1ujo h GLN 111 N 0.00 0.00 -1.47 1.57 4.20 -1.04 -3.28 115.11 115.08 1ujo h GLN 111 Ca 0.87 0.00 0.48 0.00 0.06 0.00 0.00 58.65 60.06 1ujo h GLN 111 Cb 3.60 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 31.26 1ujo h GLN 111 CO -0.01 0.73 0.98 -0.09 -0.67 0.00 0.00 178.83 179.77 1ujo h ARG 112 N -1.00 0.02 0.37 1.46 2.43 0.21 0.66 114.38 118.53 1ujo h ARG 112 Ca -0.11 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.04 1ujo h ARG 112 Cb 0.89 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1ujo h ARG 112 CO -0.07 0.02 -0.18 1.15 -1.51 0.00 0.00 179.97 179.38 1ujo h THR 113 N 0.02 0.00 -0.68 0.20 2.02 -0.41 -2.87 112.91 111.20 1ujo h THR 113 Ca 0.88 -0.23 0.12 0.00 0.77 0.00 0.00 66.41 67.95 1ujo h THR 113 Cb 2.94 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 69.26 1ujo h THR 113 CO -0.37 0.00 0.23 -0.07 0.37 0.00 0.00 175.52 175.68 1ujo h LEU 114 N -0.72 0.17 -1.30 2.58 3.38 -0.79 0.37 115.31 119.01 1ujo h LEU 114 Ca -0.05 0.11 0.30 0.00 0.09 0.00 0.00 57.88 58.33 1ujo h LEU 114 Cb 0.38 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.13 1ujo h LEU 114 CO 0.08 0.07 0.69 0.24 0.09 0.00 0.00 178.44 179.61 1ujo h MET 115 N 0.37 0.34 0.02 1.13 2.86 0.13 0.36 114.93 120.14 1ujo h MET 115 Ca 0.36 -0.02 -0.14 0.00 -2.06 0.00 0.00 59.70 57.84 1ujo h MET 115 Cb 0.53 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1ujo h MET 115 CO -0.39 0.22 -0.73 0.00 1.06 0.00 0.00 176.91 177.07 1ujo h ALA 116 N 1.65 0.13 -0.33 6.32 0.00 -0.38 -3.08 119.26 123.57 1ujo h ALA 116 Ca 0.66 -0.88 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1ujo h ALA 116 Cb 1.70 0.37 -0.07 0.00 0.00 0.00 0.00 17.79 19.79 1ujo h ALA 116 CO -0.37 0.41 -0.45 1.25 0.00 0.00 0.00 179.25 180.09 1ujo h LEU 117 N -0.88 -1.49 0.16 0.00 5.85 0.12 0.94 115.31 120.00 1ujo h LEU 117 Ca -0.19 0.20 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1ujo h LEU 117 Cb 1.25 0.61 -0.04 0.00 0.37 0.00 0.00 40.66 42.85 1ujo h LEU 117 CO -0.07 -0.32 -0.48 1.23 -0.34 0.00 0.00 178.44 178.46 1ujo h GLY 118 N -0.32 -1.18 -0.35 3.75 0.00 -0.54 -1.28 103.07 103.15 1ujo h GLY 118 Ca 0.06 0.63 0.22 0.00 0.00 0.00 0.00 47.33 48.24 1ujo h GLY 118 CO -0.48 -0.30 0.28 0.23 0.00 0.00 0.00 176.54 176.27 1ujo h SER 119 N -0.72 0.10 -0.41 0.19 0.87 -1.32 0.46 113.55 112.71 1ujo h SER 119 Ca -0.01 0.18 0.08 0.00 -1.23 0.00 0.00 61.79 60.81 1ujo h SER 119 Cb 0.70 0.22 -0.07 0.00 -0.44 0.00 0.00 62.40 62.81 1ujo h SER 119 CO -0.23 -0.10 -0.06 -0.07 -0.53 0.00 0.00 176.83 175.83 1ujo h LEU 120 N 0.26 -0.31 -1.57 2.23 3.38 0.20 1.31 115.31 120.82 1ujo h LEU 120 Ca 0.54 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.60 1ujo h LEU 120 Cb 1.07 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1ujo h LEU 120 CO -0.61 -0.11 -0.07 0.00 0.09 0.00 0.00 178.44 177.75 1ujo h ALA 121 N 1.40 1.65 -0.08 1.53 0.00 0.70 -1.50 119.26 122.95 1ujo h ALA 121 Ca 0.20 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1ujo h ALA 121 Cb 0.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1ujo h ALA 121 CO -0.40 0.26 -0.20 0.28 0.00 0.00 0.00 179.25 179.19 1ujo h VAL 122 N 0.19 1.41 -0.81 0.00 2.07 0.18 -3.10 116.25 116.17 1ujo h VAL 122 Ca 0.04 -1.53 0.11 0.00 0.82 0.00 0.00 66.70 66.14 1ujo h VAL 122 Cb 0.24 2.20 -0.08 0.00 -1.52 0.00 0.00 31.29 32.13 1ujo h VAL 122 CO 0.01 0.43 0.45 0.74 0.02 0.00 0.00 177.57 179.22 1ujo h THR 123 N -0.19 0.85 0.00 2.57 2.02 0.20 -3.30 112.91 115.06 1ujo h THR 123 Ca -0.00 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.93 1ujo h THR 123 Cb 0.80 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 1ujo h THR 123 CO 0.04 0.13 0.00 0.29 0.37 0.00 0.00 175.52 176.36 1ujo n LYS 124 N -4.79 0.00 -2.20 6.66 5.02 -0.62 -4.86 118.16 117.37 1ujo n LYS 124 Ca 0.14 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.41 1ujo n LYS 124 Cb 0.32 -0.25 0.06 0.00 -0.02 0.00 0.00 35.03 35.13 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 0.00 -0.87 -2.60 4.39 6.94 -1.24 -4.95 115.26 116.94 1ujo n ASN 125 Ca 0.00 -1.67 -0.06 0.00 -0.02 0.00 0.00 54.58 52.83 1ujo n ASN 125 Cb 0.00 0.48 -0.00 0.00 -2.36 0.00 0.00 39.78 37.90 1ujo n ASN 125 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 1ujo n ASP 126 N -0.71 -1.98 0.00 0.53 2.03 -1.18 -4.81 116.55 110.43 1ujo n ASP 126 Ca -0.11 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.51 1ujo n ASP 126 Cb 0.69 -1.78 0.00 0.00 -0.72 0.00 0.00 41.12 39.31 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 -0.64 -1.20 0.19 0.27 0.00 -1.26 -4.27 105.19 98.28 1ujo n GLY 127 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 0.65 -1.43 1.61 2.35 -1.87 -3.44 115.58 113.44 1ujo h ASN 128 Ca 0.00 -0.48 -0.72 0.00 -0.55 0.00 0.00 56.30 54.55 1ujo h ASN 128 Cb 0.00 -0.18 0.05 0.00 0.05 0.00 0.00 38.32 38.24 1ujo h ASN 128 CO 0.00 1.00 0.32 0.00 -1.65 0.00 0.00 177.43 177.10 1ujo n TYR 129 N -4.34 1.22 -0.07 1.19 4.19 -1.26 -4.85 117.16 113.23 1ujo n TYR 129 Ca -0.05 0.79 -0.08 0.00 3.31 0.00 0.00 57.90 61.87 1ujo n TYR 129 Cb 0.45 -2.25 -0.04 0.00 0.49 0.00 0.00 39.34 37.99 1ujo n TYR 129 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1ujo h ARG 130 N 4.06 0.00 0.00 2.98 2.47 -1.88 -3.47 114.38 118.53 1ujo h ARG 130 Ca -0.49 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 1ujo h ARG 130 Cb 1.37 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 1ujo h ARG 130 CO 0.74 0.31 0.00 0.41 0.56 0.00 0.00 179.97 181.99 1ujo n GLY 131 N 1.62 -3.02 3.92 0.04 0.00 -1.26 -4.99 105.19 101.50 1ujo n GLY 131 Ca -0.11 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 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 -2.10 6.37 0.15 1.61 1.11 -1.26 -5.01 116.67 117.54 1ujo s ASP 132 Ca 0.00 0.54 -0.02 0.00 0.18 0.00 0.00 52.55 53.25 1ujo s ASP 132 Cb 0.00 -2.07 -0.02 0.00 1.07 0.00 0.00 42.92 41.90 1ujo s ASP 132 CO 0.00 -0.19 1.37 1.55 1.18 0.00 0.00 175.17 179.08 1ujo h PRO 133 N 1.43 0.37 -2.30 8.23 0.13 -1.96 -3.29 132.00 134.61 1ujo h PRO 133 Ca -0.48 -0.35 -0.38 0.00 -0.87 0.00 0.00 66.00 63.91 1ujo h PRO 133 Cb 1.20 0.09 -0.06 0.00 0.13 0.00 0.00 31.00 32.36 1ujo h PRO 133 CO 0.65 1.02 0.97 0.09 -0.23 0.00 0.00 178.00 180.50 1ujo n ASN 134 N -3.77 6.46 -0.00 1.44 4.13 -1.26 -3.87 115.26 118.40 1ujo n ASN 134 Ca -0.05 -2.62 -0.04 0.00 1.68 0.00 0.00 54.58 53.55 1ujo n ASN 134 Cb 0.78 -1.43 -0.01 0.00 -1.54 0.00 0.00 39.78 37.57 1ujo n ASN 134 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1ujo n TRP 135 N 2.56 0.00 0.06 3.10 7.02 -1.24 -4.77 117.44 124.17 1ujo n TRP 135 Ca 0.54 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.89 1ujo n TRP 135 Cb 0.66 -0.17 -0.14 0.00 -2.42 0.00 0.00 31.31 29.24 1ujo n TRP 135 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 1ujo h PHE 136 N -0.27 0.29 -3.59 -5.99 -1.00 -1.84 -3.41 116.94 101.13 1ujo h PHE 136 Ca -0.05 -0.21 -0.76 0.00 2.81 0.00 0.00 57.97 59.76 1ujo h PHE 136 Cb 0.50 -0.01 -0.28 0.00 3.61 0.00 0.00 35.95 39.77 1ujo h PHE 136 CO -0.09 1.21 -0.10 -1.64 -1.61 0.00 0.00 178.31 176.08 1ujo s MET 137 N -2.65 3.18 0.22 1.51 -1.94 -1.26 -5.03 119.30 113.34 1ujo s MET 137 Ca -0.05 -2.27 -0.31 0.00 -1.71 0.00 0.00 55.69 51.36 1ujo s MET 137 Cb 0.08 -4.23 -0.15 0.00 2.01 0.00 0.00 34.83 32.54 1ujo s MET 137 CO 0.85 -1.27 1.12 0.36 -0.01 0.00 0.00 175.02 176.07 1ujo n LYS 138 N 4.21 1.27 -2.65 2.03 2.85 -1.26 -4.61 118.16 120.00 1ujo n LYS 138 Ca 0.05 0.45 -0.43 0.00 -1.05 0.00 0.00 58.31 57.34 1ujo n LYS 138 Cb 0.43 -1.91 -0.02 0.00 -0.65 0.00 0.00 35.03 32.89 1ujo n LYS 138 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ujo s SER 139 N -0.19 7.12 0.26 -5.58 0.15 -1.26 -5.01 113.70 109.20 1ujo s SER 139 Ca 0.68 1.43 -0.05 0.00 0.70 0.00 0.00 55.95 58.71 1ujo s SER 139 Cb -0.79 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 60.96 1ujo s SER 139 CO 0.55 -0.63 0.34 -0.83 1.20 0.00 0.00 173.24 173.87 1ujo s GLY 140 N 1.21 1.19 0.91 9.45 0.00 -1.26 -5.17 107.32 113.66 1ujo s GLY 140 Ca 0.45 -1.39 -0.12 0.00 0.00 0.00 0.00 44.72 43.66 1ujo s GLY 140 CO 0.09 -1.04 1.14 2.56 0.00 0.00 0.00 173.10 175.85 1ujo s PRO 141 N -3.81 1.12 0.43 2.90 0.04 -1.26 -4.89 135.00 129.53 1ujo s PRO 141 Ca 0.31 0.28 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1ujo s PRO 141 Cb 0.02 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1ujo s PRO 141 CO 0.14 -2.21 0.00 0.43 0.04 0.00 0.00 177.00 175.40 1ujo n SER 142 N -3.77 -6.66 -3.66 6.66 7.64 -1.26 -5.04 113.62 107.53 1ujo n SER 142 Ca 0.07 1.20 -0.06 0.00 1.01 0.00 0.00 58.87 61.08 1ujo n SER 142 Cb 0.59 -3.56 -0.08 0.00 -1.01 0.00 0.00 64.21 60.16 1ujo n SER 142 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujo s SER 143 N -3.97 -0.71 0.00 6.43 0.15 -1.26 -5.21 113.70 109.13 1ujo s SER 143 Ca 0.00 1.25 0.00 0.00 0.70 0.00 0.00 55.95 57.90 1ujo s SER 143 Cb 0.00 1.53 0.00 0.00 -1.71 0.00 0.00 66.02 65.84 1ujo s SER 143 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83