#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujo s SER 2 N 0.00 6.74 -0.06 1.61 0.15 -1.26 -5.07 113.70 115.82 1ujo s SER 2 Ca 0.00 1.51 0.06 0.00 0.70 0.00 0.00 55.95 58.22 1ujo s SER 2 Cb 0.00 -2.47 -0.01 0.00 -1.71 0.00 0.00 66.02 61.83 1ujo s SER 2 CO 0.00 -0.43 -0.24 -0.44 1.20 0.00 0.00 173.24 173.33 1ujo s SER 3 N -2.65 3.00 -0.06 5.45 0.01 -1.26 -5.12 113.70 113.06 1ujo s SER 3 Ca 0.58 -0.50 -0.05 0.00 1.31 0.00 0.00 55.95 57.29 1ujo s SER 3 Cb -0.10 -0.82 0.02 0.00 0.21 0.00 0.00 66.02 65.33 1ujo s SER 3 CO 0.23 0.24 0.16 -0.83 0.41 0.00 0.00 173.24 173.45 1ujo s GLY 4 N -0.15 -0.11 -0.29 3.44 0.00 -1.26 -5.12 107.32 103.83 1ujo s GLY 4 Ca -0.04 0.53 0.01 0.00 0.00 0.00 0.00 44.72 45.22 1ujo s GLY 4 CO 0.04 0.56 0.71 -0.45 0.00 0.00 0.00 173.10 173.95 1ujo s SER 5 N 0.36 -1.30 0.21 1.64 0.15 -1.26 -5.13 113.70 108.37 1ujo s SER 5 Ca -0.02 0.22 -0.32 0.00 0.70 0.00 0.00 55.95 56.53 1ujo s SER 5 Cb -0.04 1.85 -0.12 0.00 -1.71 0.00 0.00 66.02 66.01 1ujo s SER 5 CO -0.02 -0.24 1.69 -1.54 1.20 0.00 0.00 173.24 174.34 1ujo n SER 6 N 5.35 3.86 -3.81 5.45 3.41 -1.26 -4.36 113.62 122.26 1ujo n SER 6 Ca 0.05 1.07 -0.42 0.00 -0.26 0.00 0.00 58.87 59.31 1ujo n SER 6 Cb 0.55 -1.56 0.00 0.00 -0.26 0.00 0.00 64.21 62.94 1ujo n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ujo n GLY 7 N 3.71 4.73 1.16 5.00 0.00 -1.26 -4.94 105.19 113.59 1ujo n GLY 7 Ca 0.15 -2.00 0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 4.13 -2.26 -0.09 1.61 1.02 -1.26 -3.72 120.64 120.06 1ujo n GLU 8 Ca 0.43 1.64 -0.15 0.00 -0.02 0.00 0.00 57.16 59.06 1ujo n GLU 8 Cb 0.36 -2.81 -0.07 0.00 -0.02 0.00 0.00 31.44 28.90 1ujo n GLU 8 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1ujo n GLU 9 N -3.57 0.52 -0.00 3.49 -0.58 -1.26 -3.91 120.64 115.33 1ujo n GLU 9 Ca -0.02 0.50 -0.13 0.00 -0.42 0.00 0.00 57.16 57.09 1ujo n GLU 9 Cb 0.63 -1.68 -0.08 0.00 -0.57 0.00 0.00 31.44 29.74 1ujo n GLU 9 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1ujo h LEU 10 N -1.00 -1.47 -0.79 -4.62 6.46 -2.00 -1.85 115.31 110.05 1ujo h LEU 10 Ca -0.23 0.17 0.07 0.00 -0.12 0.00 0.00 57.88 57.78 1ujo h LEU 10 Cb 1.01 0.57 -0.09 0.00 -0.73 0.00 0.00 40.66 41.42 1ujo h LEU 10 CO -0.14 -0.42 -0.46 1.21 -0.62 0.00 0.00 178.44 178.01 1ujo n GLU 11 N -5.00 -0.35 -0.34 1.25 2.13 -1.26 0.11 120.64 117.18 1ujo n GLU 11 Ca -0.05 1.36 -0.04 0.00 0.66 0.00 0.00 57.16 59.09 1ujo n GLU 11 Cb 0.32 -2.00 0.01 0.00 0.27 0.00 0.00 31.44 30.04 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 -0.05 0.42 5.31 4.39 -1.48 0.29 114.58 123.46 1ujo h GLU 12 Ca 0.13 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1ujo h GLU 12 Cb 0.32 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1ujo h GLU 12 CO -0.74 -0.03 -0.20 0.00 -1.16 0.00 0.00 179.01 176.88 1ujo h ARG 13 N -0.05 -0.55 -0.92 2.33 2.47 0.32 0.80 114.38 118.79 1ujo h ARG 13 Ca 0.29 0.04 0.14 0.00 -1.26 0.00 0.00 59.98 59.19 1ujo h ARG 13 Cb 0.56 0.12 -0.15 0.00 -1.65 0.00 0.00 29.97 28.86 1ujo h ARG 13 CO -0.91 -0.32 -0.39 -0.07 0.56 0.00 0.00 179.97 178.85 1ujo h LEU 14 N -0.65 -1.42 0.04 3.04 3.38 0.29 0.47 115.31 120.45 1ujo h LEU 14 Ca -0.06 0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.21 1ujo h LEU 14 Cb 0.48 0.73 0.00 0.00 0.09 0.00 0.00 40.66 41.97 1ujo h LEU 14 CO 0.09 -0.29 -0.02 0.58 0.09 0.00 0.00 178.44 178.90 1ujo h VAL 15 N -0.03 1.00 -1.03 1.22 2.07 -0.38 -1.30 116.25 117.80 1ujo h VAL 15 Ca 0.32 -0.13 0.30 0.00 0.82 0.00 0.00 66.70 68.01 1ujo h VAL 15 Cb 0.58 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 1ujo h VAL 15 CO -0.93 0.03 0.99 -0.33 0.02 0.00 0.00 177.57 177.35 1ujo h GLU 16 N -0.11 0.00 0.00 1.57 4.39 0.23 0.53 114.58 121.20 1ujo h GLU 16 Ca -0.01 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1ujo h GLU 16 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1ujo h GLU 16 CO 0.01 0.00 -0.09 2.35 -1.16 0.00 0.00 179.01 180.12 1ujo h TRP 17 N 0.00 0.00 -0.39 4.33 7.01 0.13 -3.09 115.95 123.95 1ujo h TRP 17 Ca 0.49 0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.60 1ujo h TRP 17 Cb 2.47 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 29.52 1ujo h TRP 17 CO 0.00 0.05 0.65 0.82 -2.79 0.00 0.00 178.44 177.17 1ujo h ILE 18 N -1.00 0.15 0.15 2.65 2.04 0.26 0.62 117.51 122.38 1ujo h ILE 18 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1ujo h ILE 18 Cb 0.13 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ujo h ILE 18 CO -0.00 0.00 -0.07 0.58 0.00 0.00 0.00 178.15 178.65 1ujo h VAL 19 N 0.00 0.95 -0.55 1.67 2.07 -0.19 0.15 116.25 120.35 1ujo h VAL 19 Ca 0.18 -1.07 -0.09 0.00 0.82 0.00 0.00 66.70 66.54 1ujo h VAL 19 Cb 1.47 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 32.77 1ujo h VAL 19 CO -0.00 0.23 -0.03 -0.37 0.02 0.00 0.00 177.57 177.42 1ujo h VAL 20 N -0.77 1.26 0.00 2.57 -1.51 -0.07 1.54 116.25 119.27 1ujo h VAL 20 Ca -0.02 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.31 1ujo h VAL 20 Cb 0.53 0.86 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 1ujo h VAL 20 CO 0.03 0.41 0.00 0.00 -1.23 0.00 0.00 177.57 176.78 1ujo n GLN 21 N -4.18 0.00 0.20 5.19 1.13 0.17 -3.95 117.38 115.94 1ujo n GLN 21 Ca 0.03 0.44 -0.15 0.00 -1.94 0.00 0.00 57.00 55.38 1ujo n GLN 21 Cb 0.35 -1.34 -0.08 0.00 0.11 0.00 0.00 30.24 29.28 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 -1.12 1.11 2.31 0.00 0.00 0.53 -4.74 105.19 103.28 1ujo n GLY 23 Ca -0.10 -2.20 -0.20 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.34 2.18 0.00 1.61 -0.04 -1.26 -3.30 135.00 133.86 1ujo n PRO 24 Ca 0.00 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.16 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 -0.25 -0.04 0.00 0.00 175.50 175.21 1ujo n ASP 25 N 3.32 0.97 0.15 3.54 8.00 -1.26 -4.77 116.55 126.50 1ujo n ASP 25 Ca 0.47 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.96 1ujo n ASP 25 Cb 0.42 0.00 0.22 0.00 -0.02 0.00 0.00 41.12 41.73 1ujo n ASP 25 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1ujo h VAL 26 N 0.00 1.40 0.00 2.53 -1.51 -1.88 -3.49 116.25 113.30 1ujo h VAL 26 Ca 0.00 -1.91 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 1ujo h VAL 26 Cb 0.55 2.03 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1ujo h VAL 26 CO 0.00 0.55 0.00 0.61 -1.23 0.00 0.00 177.57 177.50 1ujo n GLY 27 N 0.07 0.43 3.26 5.19 0.00 -1.26 -4.99 105.19 107.89 1ujo n GLY 27 Ca -0.01 -1.43 -0.12 0.00 0.00 0.00 0.00 46.02 44.46 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 1.29 0.71 1.61 0.52 -1.26 -4.88 118.95 116.94 1ujo s ARG 28 Ca 0.00 -1.60 -0.11 0.00 -0.52 0.00 0.00 55.73 53.50 1ujo s ARG 28 Cb 0.00 0.30 0.02 0.00 0.52 0.00 0.00 34.95 35.79 1ujo s ARG 28 CO 0.00 -0.44 1.07 -1.25 0.02 0.00 0.00 175.30 174.69 1ujo s PRO 29 N -4.09 2.78 0.44 3.54 0.04 -1.26 -5.05 135.00 131.39 1ujo s PRO 29 Ca 0.37 0.89 -0.07 0.00 0.04 0.00 0.00 61.00 62.22 1ujo s PRO 29 Cb 0.06 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.73 1ujo s PRO 29 CO 0.13 -1.20 0.37 -0.25 0.04 0.00 0.00 177.00 176.09 1ujo n ASP 30 N -3.19 -1.55 -4.19 6.66 8.00 -1.26 -4.93 116.55 116.09 1ujo n ASP 30 Ca 0.07 -0.68 -0.30 0.00 0.71 0.00 0.00 54.79 54.59 1ujo n ASP 30 Cb 0.54 -0.35 0.19 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.75 -1.98 -2.25 -1.24 1.74 -1.26 -4.72 116.66 104.20 1ujo n ARG 31 Ca 0.05 -0.56 -0.43 0.00 -0.77 0.00 0.00 57.85 56.14 1ujo n ARG 31 Cb 0.21 -1.74 -0.02 0.00 -1.02 0.00 0.00 32.46 29.88 1ujo n ARG 31 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ujo s GLY 32 N -1.97 1.27 0.00 -0.13 0.00 -1.26 -4.07 107.32 101.16 1ujo s GLY 32 Ca 0.56 0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.56 1ujo s GLY 32 CO 0.62 2.83 0.00 0.54 0.00 0.00 0.00 173.10 177.09 1ujo n ARG 33 N 7.57 0.00 -3.40 2.90 5.12 -1.26 -4.94 116.66 122.64 1ujo n ARG 33 Ca 0.17 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.87 1ujo n ARG 33 Cb 0.46 0.00 -0.09 0.00 -1.16 0.00 0.00 32.46 31.66 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 0.42 0.22 0.55 2.34 -1.26 -4.94 118.68 116.01 1ujo s LEU 34 Ca 0.00 -1.90 0.00 0.00 0.06 0.00 0.00 54.13 52.29 1ujo s LEU 34 Cb 0.00 0.13 0.00 0.00 -0.56 0.00 0.00 46.19 45.76 1ujo s LEU 34 CO 0.00 -0.27 0.00 0.61 -1.06 0.00 0.00 176.35 175.63 1ujo n GLY 35 N 4.09 -0.98 0.27 -3.48 0.00 -1.26 -4.80 105.19 99.03 1ujo n GLY 35 Ca 0.12 0.16 0.04 0.00 0.00 0.00 0.00 46.02 46.34 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 0.53 -0.23 1.61 3.57 -1.86 1.05 116.94 121.61 1ujo h PHE 36 Ca 0.00 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1ujo h PHE 36 Cb 0.00 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 1ujo h PHE 36 CO 0.00 0.10 -0.04 0.37 -2.23 0.00 0.00 178.31 176.51 1ujo h GLN 37 N 0.47 0.02 -0.27 1.11 -0.00 -1.92 0.21 115.11 114.73 1ujo h GLN 37 Ca 0.39 -0.00 -0.13 0.00 -0.00 0.00 0.00 58.65 58.91 1ujo h GLN 37 Cb 0.55 -0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.01 1ujo h GLN 37 CO -0.37 0.01 -0.38 0.28 0.00 0.00 0.00 178.83 178.37 1ujo h VAL 38 N 0.02 1.29 -0.92 2.39 2.07 -1.56 -1.87 116.25 117.67 1ujo h VAL 38 Ca 0.11 -1.54 0.13 0.00 0.82 0.00 0.00 66.70 66.22 1ujo h VAL 38 Cb 0.16 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.36 1ujo h VAL 38 CO -0.22 0.49 0.59 -0.25 0.02 0.00 0.00 177.57 178.20 1ujo h TRP 39 N 0.51 0.93 -1.10 1.57 7.01 0.21 0.23 115.95 125.30 1ujo h TRP 39 Ca 0.05 0.03 -0.62 0.00 2.11 0.00 0.00 58.89 60.46 1ujo h TRP 39 Cb 0.89 -0.29 -0.37 0.00 -2.10 0.00 0.00 29.16 27.28 1ujo h TRP 39 CO 0.04 0.36 -0.15 1.28 -2.79 0.00 0.00 178.44 177.18 1ujo n LEU 40 N -4.57 5.91 -0.03 0.65 4.77 -0.03 -4.63 117.00 119.07 1ujo n LEU 40 Ca 0.17 -4.73 -0.05 0.00 -0.03 0.00 0.00 56.01 51.37 1ujo n LEU 40 Cb 0.41 -0.61 -0.02 0.00 -2.33 0.00 0.00 43.42 40.87 1ujo n LEU 40 CO 0.29 1.93 -0.40 1.17 -1.33 0.00 0.00 177.39 179.05 1ujo n LYS 41 N -0.70 0.30 -0.36 3.23 4.81 0.07 -4.65 118.16 120.86 1ujo n LYS 41 Ca 0.49 0.12 0.03 0.00 -0.87 0.00 0.00 58.31 58.08 1ujo n LYS 41 Cb 0.75 -1.03 0.10 0.00 0.02 0.00 0.00 35.03 34.86 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 -0.57 -1.08 0.00 3.14 -1.24 -1.82 -3.44 115.58 110.56 1ujo h ASN 42 Ca -0.01 0.30 0.00 0.00 0.71 0.00 0.00 56.30 57.30 1ujo h ASN 42 Cb 0.58 0.65 0.00 0.00 0.73 0.00 0.00 38.32 40.29 1ujo h ASN 42 CO -0.00 -0.31 0.00 0.61 -1.29 0.00 0.00 177.43 176.44 1ujo n GLY 43 N -1.57 2.29 0.36 1.57 0.00 -1.26 -4.24 105.19 102.34 1ujo n GLY 43 Ca 0.13 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.09 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 0.14 0.47 1.61 2.07 -1.87 1.45 116.25 120.12 1ujo h VAL 44 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1ujo h VAL 44 Cb 0.00 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.89 1ujo h VAL 44 CO 0.00 0.00 -0.43 0.40 0.02 0.00 0.00 177.57 177.56 1ujo h ILE 45 N -0.19 0.14 -0.93 4.57 2.04 -1.91 0.25 117.51 121.46 1ujo h ILE 45 Ca 0.21 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.28 1ujo h ILE 45 Cb 0.56 0.14 -0.12 0.00 -0.74 0.00 0.00 36.82 36.65 1ujo h ILE 45 CO -0.68 0.00 0.49 -0.07 0.00 0.00 0.00 178.15 177.89 1ujo h LEU 46 N -0.90 0.52 -1.47 1.44 3.38 -1.50 1.40 115.31 118.17 1ujo h LEU 46 Ca -0.05 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.00 1ujo h LEU 46 Cb 0.79 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1ujo h LEU 46 CO -0.04 0.09 -0.27 0.28 0.09 0.00 0.00 178.44 178.59 1ujo h SER 47 N 0.53 0.00 0.22 -0.43 0.02 0.30 -2.21 113.55 111.98 1ujo h SER 47 Ca 0.57 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.26 1ujo h SER 47 Cb 1.04 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.59 1ujo h SER 47 CO -0.47 0.27 -1.09 0.11 -1.14 0.00 0.00 176.83 174.50 1ujo h LYS 48 N 0.00 0.53 0.00 3.45 1.57 0.50 -2.82 116.57 119.81 1ujo h LYS 48 Ca -0.00 -0.64 0.00 0.00 -1.87 0.00 0.00 60.65 58.13 1ujo h LYS 48 Cb 0.52 0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.02 1ujo h LYS 48 CO 0.04 1.26 0.00 -0.11 -0.57 0.00 0.00 179.45 180.06 1ujo n LEU 49 N -3.76 0.00 -0.33 2.94 7.94 0.13 0.12 117.00 124.04 1ujo n LEU 49 Ca -0.10 0.93 0.11 0.00 -1.11 0.00 0.00 56.01 55.84 1ujo n LEU 49 Cb 0.91 -0.43 0.23 0.00 0.53 0.00 0.00 43.42 44.66 1ujo n LEU 49 CO 0.55 -0.43 0.78 1.62 -1.11 0.00 0.00 177.39 178.80 1ujo h VAL 50 N 0.00 0.09 0.25 1.96 3.04 -1.57 0.64 116.25 120.67 1ujo h VAL 50 Ca 0.00 -0.01 -0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1ujo h VAL 50 Cb 0.00 0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.33 1ujo h VAL 50 CO 0.00 0.01 -0.19 0.78 -1.01 0.00 0.00 177.57 177.16 1ujo h ASN 51 N 0.03 -0.48 -0.99 3.17 2.35 -1.31 -1.70 115.58 116.66 1ujo h ASN 51 Ca 0.53 0.04 0.34 0.00 -0.55 0.00 0.00 56.30 56.66 1ujo h ASN 51 Cb 1.01 0.15 -0.16 0.00 0.05 0.00 0.00 38.32 39.38 1ujo h ASN 51 CO -0.88 -0.29 0.51 0.77 -1.65 0.00 0.00 177.43 175.89 1ujo h SER 52 N -0.44 0.38 0.00 5.81 4.64 0.68 -2.56 113.55 122.05 1ujo h SER 52 Ca -0.02 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 1ujo h SER 52 Cb 0.39 0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1ujo h SER 52 CO -0.00 -0.24 0.00 0.18 -0.87 0.00 0.00 176.83 175.90 1ujo n LEU 53 N -5.15 0.79 -3.44 5.97 4.77 -0.50 -4.82 117.00 114.62 1ujo n LEU 53 Ca 0.33 0.34 -0.31 0.00 -0.03 0.00 0.00 56.01 56.34 1ujo n LEU 53 Cb 1.05 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 42.16 1ujo n LEU 53 CO 0.06 0.00 -0.70 -1.22 -1.33 0.00 0.00 177.39 174.20 1ujo n TYR 54 N -0.48 -2.96 -0.32 -1.77 4.01 -0.87 -4.68 117.16 110.10 1ujo n TYR 54 Ca 0.00 0.26 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1ujo n TYR 54 Cb 0.00 -1.33 0.00 0.00 -0.31 0.00 0.00 39.34 37.70 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 1.48 0.35 0.05 -0.72 -0.04 -1.26 -4.86 135.00 130.01 1ujo n PRO 55 Ca 0.04 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 1ujo n PRO 55 Cb 0.41 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.81 1ujo n PRO 55 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1ujo n GLU 56 N -0.54 0.62 -0.30 0.54 0.28 -1.26 -3.36 120.64 116.62 1ujo n GLU 56 Ca 0.00 0.14 0.02 0.00 -0.16 0.00 0.00 57.16 57.17 1ujo n GLU 56 Cb 0.00 -1.78 0.14 0.00 1.43 0.00 0.00 31.44 31.23 1ujo n GLU 56 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1ujo n GLY 57 N 1.32 1.96 1.55 -1.84 0.00 -1.26 -4.28 105.19 102.64 1ujo n GLY 57 Ca -0.06 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.22 0.03 -3.26 1.61 2.88 -1.25 -5.09 113.62 108.75 1ujo n SER 58 Ca 0.10 0.03 -0.15 0.00 -1.33 0.00 0.00 58.87 57.52 1ujo n SER 58 Cb 0.57 0.01 0.01 0.00 -0.75 0.00 0.00 64.21 64.05 1ujo n SER 58 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ujo n LYS 59 N -2.58 -1.17 0.04 -1.46 4.01 -1.21 -4.92 118.16 110.87 1ujo n LYS 59 Ca 0.00 1.19 -0.09 0.00 -0.51 0.00 0.00 58.31 58.91 1ujo n LYS 59 Cb 0.00 -1.84 -0.06 0.00 -0.51 0.00 0.00 35.03 32.62 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 2.95 -0.20 -6.94 1.97 0.13 -1.94 -3.46 132.00 124.50 1ujo h PRO 60 Ca -0.21 0.01 -0.46 0.00 -0.87 0.00 0.00 66.00 64.47 1ujo h PRO 60 Cb 1.08 0.05 0.05 0.00 0.13 0.00 0.00 31.00 32.31 1ujo h PRO 60 CO 0.10 0.16 0.06 0.08 -0.23 0.00 0.00 178.00 178.17 1ujo s VAL 61 N -2.88 3.62 -0.33 1.56 1.01 -1.26 -5.07 120.40 117.05 1ujo s VAL 61 Ca -0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1ujo s VAL 61 Cb 0.00 -3.40 0.10 0.00 0.00 0.00 0.00 36.38 33.09 1ujo s VAL 61 CO 0.36 -0.35 0.11 -0.54 0.00 0.00 0.00 175.10 174.68 1ujo s LYS 62 N -4.82 0.84 -0.29 2.72 3.01 -1.26 -5.01 119.74 114.93 1ujo s LYS 62 Ca 0.52 -1.25 -0.29 0.00 -1.01 0.00 0.00 55.97 53.94 1ujo s LYS 62 Cb -0.10 -2.13 -0.01 0.00 -1.01 0.00 0.00 37.83 34.58 1ujo s LYS 62 CO 0.42 -1.00 1.46 0.08 0.51 0.00 0.00 175.35 176.81 1ujo s VAL 63 N 1.41 3.91 0.45 3.17 1.01 -1.26 -4.98 120.40 124.10 1ujo s VAL 63 Ca 0.11 1.01 -0.22 0.00 0.00 0.00 0.00 61.98 62.88 1ujo s VAL 63 Cb -0.18 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1ujo s VAL 63 CO -0.21 -0.45 1.04 -2.16 0.00 0.00 0.00 175.10 173.33 1ujo s PRO 64 N 4.54 3.95 0.22 2.72 0.04 -1.26 -4.95 135.00 140.26 1ujo s PRO 64 Ca 0.64 1.42 -0.11 0.00 0.04 0.00 0.00 61.00 62.99 1ujo s PRO 64 Cb -0.19 -2.27 0.29 0.00 0.04 0.00 0.00 34.50 32.37 1ujo s PRO 64 CO 0.27 -0.32 1.65 1.49 0.04 0.00 0.00 177.00 180.14 1ujo h GLU 65 N 1.93 0.08 -6.07 4.56 4.22 -2.07 -3.40 114.58 113.84 1ujo h GLU 65 Ca -0.49 -0.01 -0.57 0.00 0.08 0.00 0.00 59.36 58.38 1ujo h GLU 65 Cb 1.22 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.42 1ujo h GLU 65 CO 0.60 0.06 -0.42 0.54 -2.18 0.00 0.00 179.01 177.61 1ujo s ASN 66 N -5.23 6.38 0.90 1.04 4.22 -1.26 -5.10 114.94 115.89 1ujo s ASN 66 Ca -0.14 0.31 -0.12 0.00 -2.14 0.00 0.00 52.86 50.77 1ujo s ASN 66 Cb 0.19 -1.97 0.13 0.00 1.28 0.00 0.00 41.25 40.88 1ujo s ASN 66 CO 0.74 0.06 1.13 -2.16 -2.04 0.00 0.00 177.10 174.83 1ujo s PRO 67 N -2.99 1.22 -0.00 3.55 0.04 -1.26 -5.04 135.00 130.51 1ujo s PRO 67 Ca 0.36 0.32 -0.00 0.00 0.04 0.00 0.00 61.00 61.73 1ujo s PRO 67 Cb -0.12 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 1ujo s PRO 67 CO 0.28 -2.15 0.25 -1.00 0.04 0.00 0.00 177.00 174.42 1ujo h PRO 68 N -1.47 -0.01 0.00 0.56 0.13 -1.91 -3.47 132.00 125.83 1ujo h PRO 68 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1ujo h PRO 68 Cb 1.33 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.46 1ujo h PRO 68 CO 0.62 -0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.83 1ujo n SER 69 N -2.06 0.00 -4.61 1.44 2.88 -1.26 -4.80 113.62 105.21 1ujo n SER 69 Ca -0.00 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.18 1ujo n SER 69 Cb 0.00 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.55 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 0.50 0.04 -1.46 2.81 -1.26 -4.61 117.12 113.14 1ujo n MET 70 Ca 0.00 0.23 -0.02 0.00 -1.81 0.00 0.00 57.70 56.10 1ujo n MET 70 Cb 0.00 -2.22 -0.01 0.00 -0.71 0.00 0.00 33.22 30.28 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 -0.26 0.00 -0.98 2.03 2.07 -1.98 1.44 116.25 118.57 1ujo h VAL 71 Ca -0.47 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.36 1ujo h VAL 71 Cb 1.33 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.95 1ujo h VAL 71 CO 0.47 0.00 0.50 -0.26 0.02 0.00 0.00 177.57 178.29 1ujo h PHE 72 N -0.12 0.80 0.59 1.57 0.04 -1.98 0.77 116.94 118.62 1ujo h PHE 72 Ca -0.01 0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.77 1ujo h PHE 72 Cb 0.10 -0.19 0.01 0.00 2.20 0.00 0.00 35.95 38.06 1ujo h PHE 72 CO 0.06 -0.21 -0.29 0.87 -0.60 0.00 0.00 178.31 178.14 1ujo h LYS 73 N 0.27 -0.77 -0.37 1.51 1.79 -1.84 -1.19 116.57 115.97 1ujo h LYS 73 Ca 0.71 0.05 0.08 0.00 -2.18 0.00 0.00 60.65 59.31 1ujo h LYS 73 Cb 1.62 0.17 -0.09 0.00 -1.58 0.00 0.00 32.23 32.35 1ujo h LYS 73 CO -0.64 -0.50 -0.31 1.96 -1.08 0.00 0.00 179.45 178.88 1ujo h GLN 74 N -1.20 -0.25 -0.43 3.15 4.20 0.39 0.56 115.11 121.53 1ujo h GLN 74 Ca -0.08 0.02 0.08 0.00 0.06 0.00 0.00 58.65 58.73 1ujo h GLN 74 Cb 0.62 0.06 -0.07 0.00 0.30 0.00 0.00 27.48 28.38 1ujo h GLN 74 CO 0.13 -0.16 -0.04 0.52 -0.67 0.00 0.00 178.83 178.61 1ujo h MET 75 N -0.26 0.06 0.11 1.46 2.86 0.41 -1.95 114.93 117.64 1ujo h MET 75 Ca 0.17 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1ujo h MET 75 Cb 0.53 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.18 1ujo h MET 75 CO -0.51 0.04 -0.06 0.93 1.06 0.00 0.00 176.91 178.38 1ujo h GLU 76 N 0.07 -0.15 -0.90 1.72 5.08 0.13 -0.87 114.58 119.66 1ujo h GLU 76 Ca 0.21 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.80 1ujo h GLU 76 Cb 0.32 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 29.44 1ujo h GLU 76 CO -0.39 -0.09 -0.06 0.37 -1.00 0.00 0.00 179.01 177.84 1ujo h GLN 77 N -0.17 0.03 0.04 2.33 5.75 0.78 0.42 115.11 124.30 1ujo h GLN 77 Ca -0.02 -0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1ujo h GLN 77 Cb 0.13 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.67 1ujo h GLN 77 CO 0.03 0.02 -0.02 0.28 -2.65 0.00 0.00 178.83 176.49 1ujo h VAL 78 N 0.04 1.17 -0.72 2.39 2.07 -1.02 -3.00 116.25 117.18 1ujo h VAL 78 Ca 0.49 -0.69 0.15 0.00 0.82 0.00 0.00 66.70 67.47 1ujo h VAL 78 Cb 0.90 1.63 -0.13 0.00 -1.52 0.00 0.00 31.29 32.17 1ujo h VAL 78 CO -0.85 0.18 -0.15 0.00 0.02 0.00 0.00 177.57 176.76 1ujo h ALA 79 N 0.58 0.52 -0.92 1.67 0.00 0.11 0.84 119.26 122.06 1ujo h ALA 79 Ca -0.01 0.27 0.20 0.00 0.00 0.00 0.00 54.91 55.38 1ujo h ALA 79 Cb 0.33 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.53 1ujo h ALA 79 CO 0.01 -0.42 0.47 1.96 0.00 0.00 0.00 179.25 181.27 1ujo h GLN 80 N 0.02 0.52 -0.02 0.00 4.20 -0.25 0.12 115.11 119.69 1ujo h GLN 80 Ca 0.35 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.94 1ujo h GLN 80 Cb 0.55 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.22 1ujo h GLN 80 CO -0.72 0.35 -0.35 0.35 -0.67 0.00 0.00 178.83 177.79 1ujo h PHE 81 N 0.54 0.40 -0.01 2.96 3.57 0.50 -2.43 116.94 122.46 1ujo h PHE 81 Ca 0.55 -0.20 0.02 0.00 3.53 0.00 0.00 57.97 61.87 1ujo h PHE 81 Cb 0.97 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.61 1ujo h PHE 81 CO -0.08 0.98 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.48 1ujo h LEU 82 N -0.30 -1.31 -0.98 0.59 3.38 0.15 1.57 115.31 118.41 1ujo h LEU 82 Ca -0.04 0.15 0.15 0.00 0.09 0.00 0.00 57.88 58.23 1ujo h LEU 82 Cb 1.06 0.50 -0.09 0.00 0.09 0.00 0.00 40.66 42.21 1ujo h LEU 82 CO 0.07 -0.41 0.59 0.50 0.09 0.00 0.00 178.44 179.29 1ujo h LYS 83 N -0.52 0.83 -0.53 1.13 3.64 -0.95 0.15 116.57 120.33 1ujo h LYS 83 Ca 0.01 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1ujo h LYS 83 Cb 0.56 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1ujo h LYS 83 CO -0.29 0.55 0.26 0.00 -2.27 0.00 0.00 179.45 177.70 1ujo h ALA 84 N 1.58 0.68 -0.94 5.00 0.00 -0.47 -1.84 119.26 123.26 1ujo h ALA 84 Ca 0.52 -0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.43 1ujo h ALA 84 Cb 0.65 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1ujo h ALA 84 CO -0.32 0.23 0.60 0.00 0.00 0.00 0.00 179.25 179.76 1ujo h ALA 85 N 1.10 1.63 0.39 0.00 0.00 0.50 -1.76 119.26 121.12 1ujo h ALA 85 Ca 0.18 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ujo h ALA 85 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1ujo h ALA 85 CO -0.02 0.15 -0.27 1.49 0.00 0.00 0.00 179.25 180.59 1ujo h GLU 86 N 0.89 -0.62 -0.64 0.00 4.81 -0.43 -2.75 114.58 115.85 1ujo h GLU 86 Ca 0.45 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.84 1ujo h GLU 86 Cb 0.50 0.14 -0.12 0.00 0.63 0.00 0.00 28.75 29.91 1ujo h GLU 86 CO -0.22 -0.42 -0.35 -0.44 -0.73 0.00 0.00 179.01 176.86 1ujo h ASP 87 N -0.65 -1.22 -1.21 1.04 3.32 -0.98 0.61 116.42 117.33 1ujo h ASP 87 Ca -0.04 0.24 0.42 0.00 0.02 0.00 0.00 57.03 57.67 1ujo h ASP 87 Cb 0.55 0.61 -0.12 0.00 0.22 0.00 0.00 39.33 40.59 1ujo h ASP 87 CO 0.02 -0.31 0.79 0.00 -1.72 0.00 0.00 179.24 178.02 1ujo n TYR 88 N -5.44 0.57 0.00 4.55 9.36 -0.95 -4.60 117.16 120.65 1ujo n TYR 88 Ca 0.05 0.58 0.00 0.00 3.32 0.00 0.00 57.90 61.84 1ujo n TYR 88 Cb 0.36 -1.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.07 1ujo n TYR 88 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1ujo n GLY 89 N -1.46 0.65 3.45 2.98 0.00 0.21 -5.05 105.19 105.96 1ujo n GLY 89 Ca 0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.99 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 2.06 -2.67 1.61 0.31 -0.84 -4.99 118.33 113.81 1ujo n VAL 90 Ca 0.00 -0.48 -0.02 0.00 -0.01 0.00 0.00 64.34 63.82 1ujo n VAL 90 Cb 0.00 -0.65 0.01 0.00 -0.91 0.00 0.00 33.84 32.29 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 -1.81 0.00 0.82 2.52 -5.35 -1.26 -4.61 119.36 109.67 1ujo n ILE 91 Ca 0.11 -0.20 0.11 0.00 -0.27 0.00 0.00 62.75 62.50 1ujo n ILE 91 Cb 0.48 -1.12 0.10 0.00 -1.74 0.00 0.00 39.64 37.36 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 -1.17 2.01 -0.00 6.28 4.76 -1.26 -3.64 118.16 125.14 1ujo n LYS 92 Ca 0.02 -1.82 0.10 0.00 -2.87 0.00 0.00 58.31 53.74 1ujo n LYS 92 Cb 0.07 -1.42 -0.13 0.00 -1.84 0.00 0.00 35.03 31.71 1ujo n LYS 92 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ujo n THR 93 N 1.22 0.00 0.42 -0.18 -2.24 -1.26 -4.16 114.28 108.08 1ujo n THR 93 Ca 0.13 -0.13 0.06 0.00 -2.27 0.00 0.00 64.05 61.84 1ujo n THR 93 Cb 0.54 0.75 -0.08 0.00 -2.10 0.00 0.00 70.33 69.44 1ujo n THR 93 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ujo n ASP 94 N -1.68 0.98 -4.80 3.42 5.68 -1.26 -4.99 116.55 113.90 1ujo n ASP 94 Ca 0.02 -0.58 -0.35 0.00 -0.50 0.00 0.00 54.79 53.37 1ujo n ASP 94 Cb 0.38 1.15 -0.07 0.00 -1.14 0.00 0.00 41.12 41.45 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 -2.33 4.39 0.37 0.11 -1.94 -1.24 -1.37 119.30 117.29 1ujo s MET 95 Ca 0.02 1.15 0.03 0.00 -1.71 0.00 0.00 55.69 55.18 1ujo s MET 95 Cb 0.09 -2.60 0.03 0.00 2.01 0.00 0.00 34.83 34.36 1ujo s MET 95 CO 0.50 0.20 0.25 1.97 -0.01 0.00 0.00 175.02 177.93 1ujo n PHE 96 N 0.16 -0.71 -3.86 -0.03 1.16 -1.26 -4.94 117.46 107.98 1ujo n PHE 96 Ca 0.03 -1.61 -0.36 0.00 -1.87 0.00 0.00 57.45 53.64 1ujo n PHE 96 Cb 0.52 -0.30 -0.08 0.00 -1.61 0.00 0.00 39.48 38.01 1ujo n PHE 96 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1ujo s GLN 97 N -3.52 3.82 0.38 3.97 -0.21 -1.26 -4.96 119.66 117.87 1ujo s GLN 97 Ca 0.19 -0.21 0.24 0.00 0.02 0.00 0.00 55.36 55.60 1ujo s GLN 97 Cb -0.02 -3.27 1.32 0.00 1.00 0.00 0.00 33.01 32.05 1ujo s GLN 97 CO 0.12 0.50 1.47 2.41 -2.12 0.00 0.00 175.29 177.67 1ujo n THR 98 N 2.88 -0.32 0.07 -0.19 -1.04 -1.26 0.18 114.28 114.59 1ujo n THR 98 Ca -0.18 1.80 -0.13 0.00 -2.04 0.00 0.00 64.05 63.51 1ujo n THR 98 Cb 0.53 -2.94 -0.09 0.00 -1.82 0.00 0.00 70.33 66.01 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 1.03 -1.86 12.58 3.04 -1.95 1.38 116.25 130.47 1ujo h VAL 99 Ca 0.81 -0.77 0.54 0.00 -1.01 0.00 0.00 66.70 66.27 1ujo h VAL 99 Cb 2.35 1.50 -0.07 0.00 -2.01 0.00 0.00 31.29 33.05 1ujo h VAL 99 CO -0.59 0.18 1.38 0.44 -1.01 0.00 0.00 177.57 177.97 1ujo h ASP 100 N -0.55 0.00 0.00 3.17 3.32 0.15 0.79 116.42 123.30 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 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1ujo h ASP 100 CO 0.03 0.00 -0.65 -0.11 -1.72 0.00 0.00 179.24 176.79 1ujo n LEU 101 N -3.87 1.27 -0.31 1.55 7.94 -0.95 -1.75 117.00 120.88 1ujo n LEU 101 Ca 0.42 0.22 -0.07 0.00 -1.11 0.00 0.00 56.01 55.47 1ujo n LEU 101 Cb 1.94 -0.65 -0.03 0.00 0.53 0.00 0.00 43.42 45.22 1ujo n LEU 101 CO 0.43 -0.35 0.56 0.22 -1.11 0.00 0.00 177.39 177.13 1ujo h TYR 102 N -0.65 -1.36 -0.64 1.96 3.20 0.28 0.54 116.97 120.31 1ujo h TYR 102 Ca 0.00 0.10 -0.08 0.00 3.14 0.00 0.00 58.73 61.89 1ujo h TYR 102 Cb 0.65 0.70 -0.05 0.00 1.54 0.00 0.00 36.73 39.57 1ujo h TYR 102 CO -0.28 -0.41 0.10 0.39 -1.64 0.00 0.00 178.16 176.33 1ujo n GLU 103 N -5.39 4.51 -2.26 1.82 -0.58 0.27 -4.90 120.64 114.11 1ujo n GLU 103 Ca 0.04 -3.14 0.00 0.00 -0.42 0.00 0.00 57.16 53.65 1ujo n GLU 103 Cb 0.35 -2.26 0.00 0.00 -0.57 0.00 0.00 31.44 28.96 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 0.35 -0.44 0.47 0.62 0.00 0.19 -4.65 105.19 101.74 1ujo n GLY 104 Ca 0.33 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.64 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 0.00 -0.98 1.61 1.79 -1.27 -3.33 116.57 114.39 1ujo h LYS 105 Ca 0.00 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 1ujo h LYS 105 Cb 0.87 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.31 1ujo h LYS 105 CO 0.00 0.00 -0.36 -0.51 -1.08 0.00 0.00 179.45 177.50 1ujo s ASP 106 N -5.25 -1.58 0.06 0.86 1.01 -0.72 -4.93 116.67 106.11 1ujo s ASP 106 Ca -0.05 0.25 -0.19 0.00 0.71 0.00 0.00 52.55 53.27 1ujo s ASP 106 Cb 0.20 2.03 -0.12 0.00 1.01 0.00 0.00 42.92 46.04 1ujo s ASP 106 CO 0.71 -0.29 1.39 0.24 0.21 0.00 0.00 175.17 177.43 1ujo h MET 107 N 7.98 0.41 -0.93 8.23 2.86 -1.69 -3.06 114.93 128.73 1ujo h MET 107 Ca -0.03 -0.19 0.22 0.00 -2.06 0.00 0.00 59.70 57.63 1ujo h MET 107 Cb 1.19 -0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.67 1ujo h MET 107 CO 0.15 0.73 -0.11 0.00 1.06 0.00 0.00 176.91 178.75 1ujo h ALA 108 N 0.67 0.84 0.57 6.32 0.00 -1.95 0.38 119.26 126.09 1ujo h ALA 108 Ca 0.04 0.34 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1ujo h ALA 108 Cb 0.63 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1ujo h ALA 108 CO 0.03 -0.46 -0.36 0.00 0.00 0.00 0.00 179.25 178.47 1ujo h ALA 109 N 1.93 -0.90 -1.48 0.00 0.00 -1.92 0.13 119.26 117.02 1ujo h ALA 109 Ca 0.50 -0.18 0.49 0.00 0.00 0.00 0.00 54.91 55.73 1ujo h ALA 109 Cb 0.89 0.45 -0.13 0.00 0.00 0.00 0.00 17.79 19.00 1ujo h ALA 109 CO -0.91 -1.02 0.98 0.28 0.00 0.00 0.00 179.25 178.57 1ujo n VAL 110 N -5.49 -0.21 -0.06 0.00 0.31 0.12 0.12 118.33 113.12 1ujo n VAL 110 Ca -0.12 1.73 -0.13 0.00 -0.01 0.00 0.00 64.34 65.81 1ujo n VAL 110 Cb 0.39 -2.85 -0.12 0.00 -0.91 0.00 0.00 33.84 30.35 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 -0.00 -1.46 5.55 4.20 -0.07 -3.16 115.11 120.17 1ujo h GLN 111 Ca 0.88 0.00 0.44 0.00 0.06 0.00 0.00 58.65 60.04 1ujo h GLN 111 Cb 2.99 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 30.68 1ujo h GLN 111 CO -0.38 0.90 1.01 -0.09 -0.67 0.00 0.00 178.83 179.60 1ujo h ARG 112 N -0.96 0.07 0.14 1.46 2.43 0.36 0.51 114.38 118.40 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 0.91 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1ujo h ARG 112 CO 0.00 0.04 -0.07 1.15 -1.51 0.00 0.00 179.97 179.59 1ujo h THR 113 N 0.07 0.00 -0.73 0.20 2.02 0.10 -3.18 112.91 111.39 1ujo h THR 113 Ca 0.78 -0.19 0.16 0.00 0.77 0.00 0.00 66.41 67.93 1ujo h THR 113 Cb 2.77 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 69.05 1ujo h THR 113 CO -0.19 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.65 1ujo h LEU 114 N -0.38 -0.29 -1.50 2.58 3.38 -1.11 0.70 115.31 118.69 1ujo h LEU 114 Ca -0.02 0.18 0.39 0.00 0.09 0.00 0.00 57.88 58.52 1ujo h LEU 114 Cb 0.14 0.32 -0.11 0.00 0.09 0.00 0.00 40.66 41.10 1ujo h LEU 114 CO 0.03 -0.15 0.84 0.24 0.09 0.00 0.00 178.44 179.49 1ujo h MET 115 N 0.12 0.15 0.07 1.13 2.86 -0.14 0.35 114.93 119.47 1ujo h MET 115 Ca 0.40 -0.01 -0.19 0.00 -2.06 0.00 0.00 59.70 57.84 1ujo h MET 115 Cb 0.69 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1ujo h MET 115 CO -0.62 0.10 -0.96 0.00 1.06 0.00 0.00 176.91 176.48 1ujo h ALA 116 N 1.54 0.12 -0.42 6.32 0.00 0.34 -3.00 119.26 124.16 1ujo h ALA 116 Ca 0.74 -0.92 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1ujo h ALA 116 Cb 2.34 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 20.42 1ujo h ALA 116 CO -0.31 0.54 -0.51 1.25 0.00 0.00 0.00 179.25 180.22 1ujo h LEU 117 N -0.63 -1.70 0.65 0.00 5.85 0.15 0.32 115.31 119.95 1ujo h LEU 117 Ca -0.22 0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1ujo h LEU 117 Cb 1.47 0.71 -0.01 0.00 0.37 0.00 0.00 40.66 43.20 1ujo h LEU 117 CO -0.00 -0.39 -0.49 1.23 -0.34 0.00 0.00 178.44 178.44 1ujo h GLY 118 N -0.37 -1.29 -0.80 3.75 0.00 -0.86 -2.10 103.07 101.40 1ujo h GLY 118 Ca 0.10 0.56 0.35 0.00 0.00 0.00 0.00 47.33 48.34 1ujo h GLY 118 CO -0.60 -0.41 0.44 0.23 0.00 0.00 0.00 176.54 176.20 1ujo h SER 119 N -1.10 0.22 -0.45 0.19 0.87 -1.26 1.51 113.55 113.53 1ujo h SER 119 Ca -0.08 0.24 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 1ujo h SER 119 Cb 0.92 0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 63.09 1ujo h SER 119 CO 0.02 -0.31 0.16 -0.07 -0.53 0.00 0.00 176.83 176.11 1ujo h LEU 120 N 0.12 0.18 -0.92 2.23 3.38 0.31 0.24 115.31 120.85 1ujo h LEU 120 Ca 0.75 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 58.66 1ujo h LEU 120 Cb 1.82 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.58 1ujo h LEU 120 CO -0.73 0.13 -0.50 0.00 0.09 0.00 0.00 178.44 177.43 1ujo h ALA 121 N 1.29 1.09 -0.60 1.53 0.00 0.22 -2.83 119.26 119.97 1ujo h ALA 121 Ca 0.21 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1ujo h ALA 121 Cb 0.20 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ujo h ALA 121 CO -0.21 0.64 0.26 0.28 0.00 0.00 0.00 179.25 180.22 1ujo h VAL 122 N 0.08 1.22 0.36 0.00 2.07 0.16 1.20 116.25 121.34 1ujo h VAL 122 Ca 0.00 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1ujo h VAL 122 Cb 0.92 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1ujo h VAL 122 CO 0.07 0.26 -0.24 0.74 0.02 0.00 0.00 177.57 178.42 1ujo h THR 123 N 0.82 0.00 0.60 2.57 2.02 -0.38 -3.24 112.91 115.30 1ujo h THR 123 Ca 0.20 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 1ujo h THR 123 Cb 0.16 0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.57 1ujo h THR 123 CO -0.02 0.00 -0.29 0.11 0.37 0.00 0.00 175.52 175.69 1ujo h LYS 124 N -0.57 -0.78 0.00 6.66 6.56 -1.51 -3.45 116.57 123.49 1ujo h LYS 124 Ca -0.05 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1ujo h LYS 124 Cb 0.46 0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.30 1ujo h LYS 124 CO 0.03 -0.50 0.00 -1.71 -2.06 0.00 0.00 179.45 175.21 1ujo n ASN 125 N -5.42 0.00 -3.59 0.86 2.85 0.41 -4.57 115.26 105.81 1ujo n ASN 125 Ca -0.13 0.00 -0.41 0.00 -0.11 0.00 0.00 54.58 53.94 1ujo n ASN 125 Cb 0.34 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.36 1ujo n ASN 125 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1ujo n ASP 126 N 3.07 7.57 0.00 1.20 2.03 -1.26 -3.98 116.55 125.17 1ujo n ASP 126 Ca 0.00 -3.37 0.00 0.00 0.52 0.00 0.00 54.79 51.94 1ujo n ASP 126 Cb 0.00 -1.29 0.00 0.00 -0.72 0.00 0.00 41.12 39.11 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 1.06 0.00 0.00 0.27 0.00 -1.26 -5.01 105.19 100.24 1ujo n GLY 127 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 1ujo n GLY 127 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ujo n ASN 128 N -2.49 0.00 -4.68 1.61 6.94 -1.26 -4.88 115.26 110.51 1ujo n ASN 128 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 54.58 54.19 1ujo n ASN 128 Cb 0.29 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.63 1ujo n ASN 128 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1ujo s TYR 129 N 0.00 3.36 0.00 -2.53 6.14 -1.26 -4.43 117.35 118.64 1ujo s TYR 129 Ca 0.00 0.41 0.00 0.00 0.64 0.00 0.00 57.07 58.12 1ujo s TYR 129 Cb 0.00 -2.36 0.00 0.00 0.42 0.00 0.00 41.96 40.02 1ujo s TYR 129 CO 0.00 0.08 0.00 0.54 0.64 0.00 0.00 175.55 176.81 1ujo n ARG 130 N 4.21 0.00 0.00 4.97 5.12 -1.26 -4.94 116.66 124.75 1ujo n ARG 130 Ca -0.12 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1ujo n ARG 130 Cb 0.52 -0.81 0.00 0.00 -1.16 0.00 0.00 32.46 31.00 1ujo n ARG 130 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ujo n GLY 131 N 2.14 -2.99 3.87 -0.13 0.00 -1.26 -4.97 105.19 101.85 1ujo n GLY 131 Ca 0.00 -1.01 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.12 6.67 0.42 1.61 1.11 -1.26 -4.98 116.67 118.11 1ujo s ASP 132 Ca 0.00 0.86 0.23 0.00 0.18 0.00 0.00 52.55 53.82 1ujo s ASP 132 Cb 0.00 -2.20 0.67 0.00 1.07 0.00 0.00 42.92 42.45 1ujo s ASP 132 CO 0.00 0.11 1.72 1.55 1.18 0.00 0.00 175.17 179.72 1ujo h PRO 133 N 3.42 0.00 -1.81 8.23 0.13 -1.93 -3.21 132.00 136.83 1ujo h PRO 133 Ca -0.48 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.30 1ujo h PRO 133 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 1ujo h PRO 133 CO 0.67 0.21 0.26 0.09 -0.23 0.00 0.00 178.00 179.00 1ujo n ASN 134 N -3.25 6.20 -0.07 1.44 3.02 -1.26 -3.81 115.26 117.53 1ujo n ASN 134 Ca 0.01 -2.98 -0.12 0.00 -0.03 0.00 0.00 54.58 51.47 1ujo n ASN 134 Cb 0.50 -1.18 -0.06 0.00 -0.61 0.00 0.00 39.78 38.43 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 0.95 0.00 -0.01 3.10 8.01 -1.21 -4.65 117.44 123.63 1ujo n TRP 135 Ca 0.36 0.00 -0.00 0.00 -1.31 0.00 0.00 57.50 56.55 1ujo n TRP 135 Cb 0.61 -0.55 -0.12 0.00 -2.01 0.00 0.00 31.31 29.25 1ujo n TRP 135 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 1ujo n PHE 136 N -3.12 0.57 -1.57 -5.99 3.01 -1.25 -4.96 117.46 104.15 1ujo n PHE 136 Ca -0.26 0.19 -0.42 0.00 1.01 0.00 0.00 57.45 57.97 1ujo n PHE 136 Cb 0.75 -0.95 0.01 0.00 -0.01 0.00 0.00 39.48 39.28 1ujo n PHE 136 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ujo n MET 137 N -2.73 1.15 -3.48 -1.08 0.00 -1.25 -4.97 117.12 104.76 1ujo n MET 137 Ca -0.14 0.41 -0.15 0.00 0.00 0.00 0.00 57.70 57.82 1ujo n MET 137 Cb 0.86 -1.90 -0.04 0.00 0.00 0.00 0.00 33.22 32.14 1ujo n MET 137 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1ujo s LYS 138 N -1.88 1.15 -0.22 3.17 0.00 -1.26 -5.02 119.74 115.68 1ujo s LYS 138 Ca 0.63 -0.09 -0.31 0.00 0.00 0.00 0.00 55.97 56.20 1ujo s LYS 138 Cb -0.58 0.54 -0.08 0.00 0.00 0.00 0.00 37.83 37.70 1ujo s LYS 138 CO 0.57 -0.43 2.15 0.43 0.00 0.00 0.00 175.35 178.07 1ujo n SER 139 N 0.33 3.04 0.00 0.03 7.64 -1.26 -4.74 113.62 118.66 1ujo n SER 139 Ca -0.18 0.42 0.00 0.00 1.01 0.00 0.00 58.87 60.12 1ujo n SER 139 Cb 0.61 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1ujo n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujo n GLY 140 N 5.70 -1.02 3.81 0.23 0.00 -1.26 -5.14 105.19 107.51 1ujo n GLY 140 Ca 0.31 -1.15 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.86 3.45 -0.61 1.61 0.04 -1.26 -5.02 135.00 131.35 1ujo s PRO 141 Ca 0.00 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.26 1ujo s PRO 141 Cb 0.00 -2.05 0.15 0.00 0.04 0.00 0.00 34.50 32.64 1ujo s PRO 141 CO 0.00 -0.70 0.39 0.45 0.04 0.00 0.00 177.00 177.18 1ujo s SER 142 N -2.73 4.68 -0.12 6.66 0.15 -1.26 -5.02 113.70 116.05 1ujo s SER 142 Ca 0.63 -3.32 -0.41 0.00 0.70 0.00 0.00 55.95 53.55 1ujo s SER 142 Cb -0.15 -1.68 -0.19 0.00 -1.71 0.00 0.00 66.02 62.29 1ujo s SER 142 CO 0.34 -0.19 1.28 -1.54 1.20 0.00 0.00 173.24 174.32 1ujo n SER 143 N 2.73 0.67 0.00 5.45 3.41 -1.26 -5.19 113.62 119.42 1ujo n SER 143 Ca 0.11 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.88 1ujo n SER 143 Cb 0.34 -0.96 0.00 0.00 -0.26 0.00 0.00 64.21 63.33 1ujo n SER 143 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49