#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 5.29 0.03 1.61 3.41 -1.26 -4.16 113.62 118.55 1ujo n SER 2 Ca 0.00 -3.06 0.00 0.00 -0.26 0.00 0.00 58.87 55.55 1ujo n SER 2 Cb 0.00 -1.50 0.00 0.00 -0.26 0.00 0.00 64.21 62.45 1ujo n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ujo n SER 3 N 4.45 -0.61 0.00 4.04 2.88 -1.26 -5.14 113.62 117.98 1ujo n SER 3 Ca 0.36 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.35 1ujo n SER 3 Cb 0.39 0.90 0.00 0.00 -0.75 0.00 0.00 64.21 64.76 1ujo n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujo n GLY 4 N -1.18 0.37 0.80 0.46 0.00 -1.26 -5.15 105.19 99.23 1ujo n GLY 4 Ca 0.00 -0.33 0.10 0.00 0.00 0.00 0.00 46.02 45.79 1ujo n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ujo n SER 5 N 0.00 -4.51 -4.14 1.61 7.64 -1.26 -4.56 113.62 108.41 1ujo n SER 5 Ca 0.00 0.71 -0.35 0.00 1.01 0.00 0.00 58.87 60.24 1ujo n SER 5 Cb 0.00 -2.68 0.07 0.00 -1.01 0.00 0.00 64.21 60.59 1ujo n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1ujo n SER 6 N -3.38 -4.49 0.00 6.43 7.64 -1.26 -2.83 113.62 115.73 1ujo n SER 6 Ca -0.04 0.20 0.00 0.00 1.01 0.00 0.00 58.87 60.04 1ujo n SER 6 Cb 0.38 -0.88 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 1ujo n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujo n GLY 7 N 2.84 2.25 3.15 0.23 0.00 -1.26 -4.95 105.19 107.45 1ujo n GLY 7 Ca 0.01 -0.40 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 1ujo n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ujo n GLU 8 N 0.00 -0.84 -0.31 1.61 -0.58 -1.13 -4.10 120.64 115.30 1ujo n GLU 8 Ca 0.00 -0.24 0.22 0.00 -0.42 0.00 0.00 57.16 56.72 1ujo n GLU 8 Cb 0.00 -1.37 0.50 0.00 -0.57 0.00 0.00 31.44 30.00 1ujo n GLU 8 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1ujo h GLU 9 N -1.56 0.40 -0.48 3.49 5.08 -1.94 0.50 114.58 120.06 1ujo h GLU 9 Ca -0.47 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 57.96 1ujo h GLU 9 Cb 1.38 -0.09 -0.10 0.00 0.50 0.00 0.00 28.75 30.43 1ujo h GLU 9 CO 0.30 0.27 -0.30 1.37 -1.00 0.00 0.00 179.01 179.65 1ujo h LEU 10 N 0.41 -1.01 0.66 1.33 8.10 -1.90 0.46 115.31 123.37 1ujo h LEU 10 Ca 0.56 0.20 -0.03 0.00 0.11 0.00 0.00 57.88 58.72 1ujo h LEU 10 Cb 1.41 0.50 0.01 0.00 -0.44 0.00 0.00 40.66 42.13 1ujo h LEU 10 CO -0.27 -0.29 -0.32 -0.08 -4.11 0.00 0.00 178.44 173.37 1ujo h GLU 11 N -0.18 -0.85 -0.92 0.17 4.81 -1.17 -2.06 114.58 114.36 1ujo h GLU 11 Ca 0.21 0.06 0.22 0.00 -0.13 0.00 0.00 59.36 59.72 1ujo h GLU 11 Cb 0.52 0.19 -0.17 0.00 0.63 0.00 0.00 28.75 29.92 1ujo h GLU 11 CO -0.59 -0.57 -0.10 0.39 -0.73 0.00 0.00 179.01 177.42 1ujo n GLU 12 N -5.15 -0.08 0.21 1.92 1.02 -0.80 0.72 120.64 118.49 1ujo n GLU 12 Ca -0.11 1.41 -0.15 0.00 -0.02 0.00 0.00 57.16 58.29 1ujo n GLU 12 Cb 0.35 -2.18 -0.08 0.00 -0.02 0.00 0.00 31.44 29.51 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 -0.46 -0.89 3.49 9.65 -0.05 0.76 114.38 126.88 1ujo h ARG 13 Ca 0.51 0.03 0.13 0.00 -1.10 0.00 0.00 59.98 59.55 1ujo h ARG 13 Cb 0.93 0.11 -0.14 0.00 -1.39 0.00 0.00 29.97 29.48 1ujo h ARG 13 CO -0.91 -0.30 -0.42 -0.07 2.80 0.00 0.00 179.97 181.07 1ujo h LEU 14 N -0.49 -1.53 0.39 3.80 3.38 0.10 0.50 115.31 121.47 1ujo h LEU 14 Ca -0.05 0.30 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1ujo h LEU 14 Cb 0.37 0.76 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1ujo h LEU 14 CO 0.08 -0.29 -0.19 0.58 0.09 0.00 0.00 178.44 178.71 1ujo h VAL 15 N -0.05 0.61 -1.30 1.22 2.07 -1.07 0.10 116.25 117.83 1ujo h VAL 15 Ca 0.28 0.00 0.38 0.00 0.82 0.00 0.00 66.70 68.18 1ujo h VAL 15 Cb 0.56 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.88 1ujo h VAL 15 CO -0.90 0.00 0.97 -0.33 0.02 0.00 0.00 177.57 177.33 1ujo h GLU 16 N -0.53 0.00 0.03 1.57 5.08 0.19 0.62 114.58 121.54 1ujo h GLU 16 Ca -0.05 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1ujo h GLU 16 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1ujo h GLU 16 CO 0.09 0.00 -0.02 2.35 -1.00 0.00 0.00 179.01 180.43 1ujo h TRP 17 N 0.00 -0.04 -0.77 4.33 7.01 0.96 -3.01 115.95 124.43 1ujo h TRP 17 Ca 0.62 -0.00 0.22 0.00 2.11 0.00 0.00 58.89 61.84 1ujo h TRP 17 Cb 2.55 0.01 -0.03 0.00 -2.10 0.00 0.00 29.16 29.59 1ujo h TRP 17 CO 0.00 -0.02 0.91 0.82 -2.79 0.00 0.00 178.44 177.36 1ujo h ILE 18 N -0.50 0.14 -0.03 2.65 2.04 0.59 1.29 117.51 123.68 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 0.03 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 1ujo h ILE 18 CO 0.01 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.71 1ujo h VAL 19 N 0.00 1.36 -0.52 1.67 2.07 0.14 0.16 116.25 121.12 1ujo h VAL 19 Ca 0.37 -1.11 -0.12 0.00 0.82 0.00 0.00 66.70 66.65 1ujo h VAL 19 Cb 2.19 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 33.99 1ujo h VAL 19 CO -0.00 0.30 -0.15 -0.37 0.02 0.00 0.00 177.57 177.36 1ujo h VAL 20 N -0.37 1.27 0.00 2.57 -1.51 0.16 1.53 116.25 119.90 1ujo h VAL 20 Ca 0.01 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 1ujo h VAL 20 Cb 0.49 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 1ujo h VAL 20 CO 0.01 0.46 0.00 0.00 -1.23 0.00 0.00 177.57 176.81 1ujo n GLN 21 N -4.13 0.00 -0.03 5.19 3.00 0.63 -3.66 117.38 118.38 1ujo n GLN 21 Ca 0.01 0.43 -0.11 0.00 -0.01 0.00 0.00 57.00 57.32 1ujo n GLN 21 Cb 0.43 -1.43 -0.05 0.00 0.00 0.00 0.00 30.24 29.19 1ujo n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1ujo n GLY 23 N -0.77 0.78 2.30 0.00 0.00 0.52 -4.73 105.19 103.29 1ujo n GLY 23 Ca -0.05 -2.23 -0.19 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.50 2.13 0.00 1.61 -0.04 -1.25 -3.33 135.00 133.62 1ujo n PRO 24 Ca 0.00 -1.25 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 1ujo n PRO 24 Cb 0.00 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 3.27 1.19 0.22 3.54 2.03 -1.26 -4.73 116.55 120.81 1ujo n ASP 25 Ca 0.46 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.86 1ujo n ASP 25 Cb 0.44 0.00 0.46 0.00 -0.72 0.00 0.00 41.12 41.30 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 0.63 0.00 5.18 -1.51 -1.89 -3.48 116.25 115.18 1ujo h VAL 26 Ca 0.00 -1.14 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 1ujo h VAL 26 Cb 0.66 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 1ujo h VAL 26 CO 0.00 0.24 0.00 0.61 -1.23 0.00 0.00 177.57 177.19 1ujo n GLY 27 N 0.06 0.55 3.36 5.19 0.00 -1.26 -4.97 105.19 108.11 1ujo n GLY 27 Ca -0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1ujo n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ujo s ARG 28 N 0.00 1.18 0.86 1.61 3.52 -1.26 -4.87 118.95 119.99 1ujo s ARG 28 Ca 0.00 -1.15 -0.12 0.00 -0.13 0.00 0.00 55.73 54.33 1ujo s ARG 28 Cb 0.00 0.39 0.11 0.00 -1.56 0.00 0.00 34.95 33.89 1ujo s ARG 28 CO 0.00 -0.44 1.12 -1.25 -0.81 0.00 0.00 175.30 173.92 1ujo s PRO 29 N -3.96 1.57 0.61 5.12 0.04 -1.26 -5.07 135.00 132.04 1ujo s PRO 29 Ca 0.17 0.45 0.01 0.00 0.04 0.00 0.00 61.00 61.66 1ujo s PRO 29 Cb 0.03 -1.88 0.06 0.00 0.04 0.00 0.00 34.50 32.76 1ujo s PRO 29 CO -0.00 -1.94 0.85 0.16 0.04 0.00 0.00 177.00 176.11 1ujo s ASP 30 N -3.98 4.98 1.08 6.66 -4.77 -1.26 -4.97 116.67 114.42 1ujo s ASP 30 Ca 0.62 -0.14 -0.14 0.00 -3.30 0.00 0.00 52.55 49.59 1ujo s ASP 30 Cb -0.15 -0.57 0.23 0.00 -1.09 0.00 0.00 42.92 41.35 1ujo s ASP 30 CO 0.54 -1.38 1.08 0.00 0.70 0.00 0.00 175.17 176.11 1ujo s ARG 31 N -4.88 -0.23 0.60 2.11 3.03 -1.26 -4.45 118.95 113.86 1ujo s ARG 31 Ca 0.60 0.44 0.00 0.00 2.03 0.00 0.00 55.73 58.80 1ujo s ARG 31 Cb -0.09 -1.67 0.00 0.00 -1.03 0.00 0.00 34.95 32.17 1ujo s ARG 31 CO 0.40 -3.16 0.00 0.41 -1.13 0.00 0.00 175.30 171.82 1ujo n GLY 32 N -0.67 -3.17 3.16 3.88 0.00 -1.26 -4.48 105.19 102.65 1ujo n GLY 32 Ca 0.06 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 1ujo n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ujo n ARG 33 N -4.28 -4.12 0.00 1.61 3.00 -1.26 -3.43 116.66 108.19 1ujo n ARG 33 Ca -0.09 -1.22 0.00 0.00 -0.01 0.00 0.00 57.85 56.53 1ujo n ARG 33 Cb 0.65 -1.80 0.00 0.00 0.00 0.00 0.00 32.46 31.31 1ujo n ARG 33 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1ujo n LEU 34 N -4.53 0.00 -0.25 0.55 0.00 -1.26 -4.66 117.00 106.86 1ujo n LEU 34 Ca 0.11 0.00 -0.06 0.00 0.00 0.00 0.00 56.01 56.06 1ujo n LEU 34 Cb 0.52 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.88 1ujo n LEU 34 CO 0.35 0.00 0.43 0.61 0.00 0.00 0.00 177.39 178.78 1ujo n GLY 35 N 0.00 -2.46 0.19 -3.96 0.00 -1.22 -0.18 105.19 97.56 1ujo n GLY 35 Ca 0.00 0.87 -0.07 0.00 0.00 0.00 0.00 46.02 46.83 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 -0.33 -0.30 1.61 3.57 -1.79 0.64 116.94 120.34 1ujo h PHE 36 Ca 0.09 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1ujo h PHE 36 Cb 0.24 0.19 -0.08 0.00 2.79 0.00 0.00 35.95 39.09 1ujo h PHE 36 CO -0.88 -0.20 -0.50 0.37 -2.23 0.00 0.00 178.31 174.86 1ujo h GLN 37 N -0.09 -0.42 -0.79 1.11 4.15 -0.95 0.14 115.11 118.26 1ujo h GLN 37 Ca 0.15 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.70 1ujo h GLN 37 Cb 0.32 0.10 -0.08 0.00 0.21 0.00 0.00 27.48 28.03 1ujo h GLN 37 CO -0.35 -0.28 0.42 0.28 -1.93 0.00 0.00 178.83 176.97 1ujo h VAL 38 N -0.44 0.85 -0.87 2.39 2.07 -0.09 0.22 116.25 120.38 1ujo h VAL 38 Ca 0.08 -0.24 0.19 0.00 0.82 0.00 0.00 66.70 67.55 1ujo h VAL 38 Cb 0.62 0.10 -0.11 0.00 -1.52 0.00 0.00 31.29 30.39 1ujo h VAL 38 CO -0.53 0.13 0.41 -0.25 0.02 0.00 0.00 177.57 177.35 1ujo h TRP 39 N 0.69 0.70 -1.26 1.57 7.01 0.16 0.26 115.95 125.08 1ujo h TRP 39 Ca 0.39 0.04 -0.65 0.00 2.11 0.00 0.00 58.89 60.78 1ujo h TRP 39 Cb 0.42 -0.18 -0.35 0.00 -2.10 0.00 0.00 29.16 26.95 1ujo h TRP 39 CO -0.09 0.06 0.13 1.28 -2.79 0.00 0.00 178.44 177.03 1ujo n LEU 40 N -4.97 6.30 -0.04 0.65 4.77 0.58 -4.58 117.00 119.72 1ujo n LEU 40 Ca 0.20 -4.73 -0.07 0.00 -0.03 0.00 0.00 56.01 51.38 1ujo n LEU 40 Cb 0.55 -0.72 -0.02 0.00 -2.33 0.00 0.00 43.42 40.90 1ujo n LEU 40 CO 0.17 1.87 -0.51 1.17 -1.33 0.00 0.00 177.39 178.76 1ujo n LYS 41 N -0.69 0.32 -0.41 3.23 4.81 0.93 -4.68 118.16 121.67 1ujo n LYS 41 Ca 0.51 0.13 -0.09 0.00 -0.87 0.00 0.00 58.31 57.99 1ujo n LYS 41 Cb 0.65 -1.07 -0.06 0.00 0.02 0.00 0.00 35.03 34.57 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 -0.60 -1.98 0.00 3.14 -0.73 -1.81 -3.44 115.58 110.16 1ujo h ASN 42 Ca -0.06 0.32 0.00 0.00 1.87 0.00 0.00 56.30 58.43 1ujo h ASN 42 Cb 0.71 0.91 0.00 0.00 0.27 0.00 0.00 38.32 40.21 1ujo h ASN 42 CO -0.04 -0.25 0.00 0.61 -0.37 0.00 0.00 177.43 177.39 1ujo n GLY 43 N -1.31 2.79 0.38 1.57 0.00 -1.26 -4.50 105.19 102.86 1ujo n GLY 43 Ca 0.04 -0.97 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 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 0.05 0.11 1.61 2.07 -1.89 0.56 116.25 118.77 1ujo h VAL 44 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1ujo h VAL 44 Cb 0.00 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 1ujo h VAL 44 CO 0.00 0.00 -0.44 0.40 0.02 0.00 0.00 177.57 177.55 1ujo h ILE 45 N -0.08 0.00 -0.73 4.57 2.04 -1.92 0.69 117.51 122.08 1ujo h ILE 45 Ca 0.27 0.00 0.14 0.00 1.00 0.00 0.00 64.86 66.26 1ujo h ILE 45 Cb 0.56 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.50 1ujo h ILE 45 CO -0.86 0.00 -0.27 -0.07 0.00 0.00 0.00 178.15 176.95 1ujo h LEU 46 N -0.64 -0.97 -0.98 1.44 3.38 -1.29 1.01 115.31 117.26 1ujo h LEU 46 Ca -0.01 0.24 0.06 0.00 0.09 0.00 0.00 57.88 58.26 1ujo h LEU 46 Cb 0.64 0.55 -0.06 0.00 0.09 0.00 0.00 40.66 41.87 1ujo h LEU 46 CO -0.23 -0.28 0.63 0.28 0.09 0.00 0.00 178.44 178.93 1ujo h SER 47 N -0.06 1.01 -0.19 -0.43 0.02 0.98 0.18 113.55 115.06 1ujo h SER 47 Ca 0.31 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 61.21 1ujo h SER 47 Cb 0.56 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 1ujo h SER 47 CO -0.77 0.65 -0.08 0.11 -1.14 0.00 0.00 176.83 175.60 1ujo h LYS 48 N 1.15 0.54 0.00 3.45 1.57 0.69 -1.17 116.57 122.80 1ujo h LYS 48 Ca 0.42 -0.15 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 1ujo h LYS 48 Cb 0.14 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1ujo h LYS 48 CO -0.17 0.63 0.00 -0.11 -0.57 0.00 0.00 179.45 179.23 1ujo n LEU 49 N -4.22 0.00 -0.27 2.94 7.94 0.22 0.19 117.00 123.80 1ujo n LEU 49 Ca 0.01 0.78 0.04 0.00 -1.11 0.00 0.00 56.01 55.72 1ujo n LEU 49 Cb 0.30 -0.28 0.13 0.00 0.53 0.00 0.00 43.42 44.11 1ujo n LEU 49 CO 0.40 -0.28 0.75 1.62 -1.11 0.00 0.00 177.39 178.78 1ujo h VAL 50 N 0.00 0.25 0.12 1.96 3.04 -1.49 0.25 116.25 120.38 1ujo h VAL 50 Ca 0.00 -0.01 0.02 0.00 -1.01 0.00 0.00 66.70 65.70 1ujo h VAL 50 Cb 0.00 0.21 -0.04 0.00 -2.01 0.00 0.00 31.29 29.46 1ujo h VAL 50 CO 0.00 0.01 -0.30 0.78 -1.01 0.00 0.00 177.57 177.04 1ujo h ASN 51 N 0.03 -0.87 -0.58 3.17 2.35 -1.09 -0.66 115.58 117.94 1ujo h ASN 51 Ca 0.40 0.10 0.11 0.00 -0.55 0.00 0.00 56.30 56.36 1ujo h ASN 51 Cb 0.66 0.33 -0.11 0.00 0.05 0.00 0.00 38.32 39.25 1ujo h ASN 51 CO -0.76 -0.39 -0.24 0.77 -1.65 0.00 0.00 177.43 175.16 1ujo h SER 52 N -0.52 -0.85 0.00 5.81 4.64 0.53 -2.90 113.55 120.26 1ujo h SER 52 Ca 0.03 0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1ujo h SER 52 Cb 0.55 0.47 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1ujo h SER 52 CO -0.18 -0.26 0.00 0.18 -0.87 0.00 0.00 176.83 175.70 1ujo n LEU 53 N -5.43 0.00 -3.18 5.97 4.77 0.05 -4.72 117.00 114.45 1ujo n LEU 53 Ca 0.05 0.63 -0.30 0.00 -0.03 0.00 0.00 56.01 56.37 1ujo n LEU 53 Cb 0.34 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.30 1ujo n LEU 53 CO 0.04 -0.13 -0.44 -1.22 -1.33 0.00 0.00 177.39 174.30 1ujo n TYR 54 N -1.10 -2.02 -1.52 -1.77 4.01 -0.32 -4.76 117.16 109.69 1ujo n TYR 54 Ca 0.00 0.37 -0.30 0.00 -0.16 0.00 0.00 57.90 57.81 1ujo n TYR 54 Cb 0.00 -1.28 0.19 0.00 -0.31 0.00 0.00 39.34 37.95 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 -0.75 0.05 0.35 -0.72 0.04 -1.26 -4.91 135.00 127.81 1ujo s PRO 55 Ca 0.43 -0.12 -0.28 0.00 0.04 0.00 0.00 61.00 61.08 1ujo s PRO 55 Cb -0.40 -1.75 -0.10 0.00 0.04 0.00 0.00 34.50 32.30 1ujo s PRO 55 CO 0.49 -2.86 1.27 -1.21 0.04 0.00 0.00 177.00 174.73 1ujo s GLU 56 N -5.56 4.25 0.00 4.56 2.02 -1.26 -2.84 118.70 119.86 1ujo s GLU 56 Ca 0.70 2.11 0.00 0.00 0.02 0.00 0.00 54.97 57.80 1ujo s GLU 56 Cb -0.09 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1ujo s GLU 56 CO 0.54 -0.24 0.00 0.41 0.02 0.00 0.00 175.26 175.99 1ujo n GLY 57 N 0.78 1.77 2.13 -1.39 0.00 -1.26 -4.79 105.19 102.43 1ujo n GLY 57 Ca 0.01 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.56 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 1.76 5.89 -4.59 1.61 7.64 -1.13 -4.89 113.62 119.91 1ujo n SER 58 Ca 0.00 -2.83 -0.42 0.00 1.01 0.00 0.00 58.87 56.63 1ujo n SER 58 Cb 0.00 -1.27 -0.04 0.00 -1.01 0.00 0.00 64.21 61.88 1ujo n SER 58 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ujo s LYS 59 N -0.51 3.74 -0.05 1.43 3.01 -1.26 -4.50 119.74 121.59 1ujo s LYS 59 Ca 0.53 0.38 -0.08 0.00 -1.01 0.00 0.00 55.97 55.78 1ujo s LYS 59 Cb 0.30 -3.83 -0.05 0.00 -1.01 0.00 0.00 37.83 33.25 1ujo s LYS 59 CO -0.09 -0.95 0.38 -1.00 0.51 0.00 0.00 175.35 174.20 1ujo h PRO 60 N 8.58 -0.29 -6.37 -1.68 0.13 -1.93 -3.45 132.00 126.98 1ujo h PRO 60 Ca -0.24 0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.36 1ujo h PRO 60 Cb 1.08 0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1ujo h PRO 60 CO 0.96 -0.19 -0.14 0.08 -0.23 0.00 0.00 178.00 178.47 1ujo s VAL 61 N -2.52 4.95 -0.43 1.56 1.01 -1.26 -5.06 120.40 118.66 1ujo s VAL 61 Ca -0.04 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.37 1ujo s VAL 61 Cb 0.00 -3.64 0.11 0.00 0.00 0.00 0.00 36.38 32.86 1ujo s VAL 61 CO 0.13 0.02 0.25 -0.54 0.00 0.00 0.00 175.10 174.96 1ujo s LYS 62 N -2.59 2.19 -0.33 2.72 3.01 -1.26 -4.87 119.74 118.60 1ujo s LYS 62 Ca 0.44 -1.78 -0.17 0.00 -1.01 0.00 0.00 55.97 53.46 1ujo s LYS 62 Cb -0.12 -3.70 -0.01 0.00 -1.01 0.00 0.00 37.83 32.99 1ujo s LYS 62 CO 0.21 -1.10 0.46 0.54 0.51 0.00 0.00 175.35 175.97 1ujo s VAL 63 N 1.23 5.07 0.61 3.17 0.11 -1.26 -5.06 120.40 124.27 1ujo s VAL 63 Ca 0.07 0.35 -0.15 0.00 -2.93 0.00 0.00 61.98 59.32 1ujo s VAL 63 Cb -0.24 -3.89 -0.03 0.00 -1.53 0.00 0.00 36.38 30.69 1ujo s VAL 63 CO -0.03 -0.11 1.05 -2.16 -3.33 0.00 0.00 175.10 170.52 1ujo s PRO 64 N 2.26 3.31 0.10 1.54 0.04 -1.26 -4.98 135.00 136.00 1ujo s PRO 64 Ca 0.17 1.13 -0.33 0.00 0.04 0.00 0.00 61.00 62.01 1ujo s PRO 64 Cb -0.16 -2.03 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 1ujo s PRO 64 CO 0.12 -0.81 1.59 1.49 0.04 0.00 0.00 177.00 179.42 1ujo h GLU 65 N 0.26 -0.80 -6.56 4.56 4.81 -2.04 -3.40 114.58 111.40 1ujo h GLU 65 Ca -0.46 0.05 -0.52 0.00 -0.13 0.00 0.00 59.36 58.30 1ujo h GLU 65 Cb 1.21 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.77 1ujo h GLU 65 CO 0.58 -0.53 0.43 0.54 -0.73 0.00 0.00 179.01 179.30 1ujo s ASN 66 N -4.53 7.33 0.48 1.04 2.20 -1.26 -5.02 114.94 115.18 1ujo s ASN 66 Ca -0.17 1.91 -0.21 0.00 -0.94 0.00 0.00 52.86 53.46 1ujo s ASN 66 Cb 0.06 -2.59 -0.09 0.00 -2.00 0.00 0.00 41.25 36.63 1ujo s ASN 66 CO 0.62 -0.21 1.04 -2.16 -2.94 0.00 0.00 177.10 173.45 1ujo s PRO 67 N 0.19 3.83 0.97 3.55 0.04 -1.26 -5.05 135.00 137.27 1ujo s PRO 67 Ca 0.50 1.37 -0.14 0.00 0.04 0.00 0.00 61.00 62.77 1ujo s PRO 67 Cb -0.26 -2.13 0.17 0.00 0.04 0.00 0.00 34.50 32.33 1ujo s PRO 67 CO 0.31 -0.41 1.16 -1.25 0.04 0.00 0.00 177.00 176.86 1ujo s PRO 68 N -3.18 0.66 0.21 0.56 0.04 -1.26 -5.03 135.00 127.00 1ujo s PRO 68 Ca 0.67 0.11 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1ujo s PRO 68 Cb -0.17 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1ujo s PRO 68 CO 0.20 -2.48 0.00 0.43 0.04 0.00 0.00 177.00 175.19 1ujo n SER 69 N -3.93 0.17 -4.42 6.66 7.64 -1.26 -4.89 113.62 113.59 1ujo n SER 69 Ca 0.09 0.35 -0.40 0.00 1.01 0.00 0.00 58.87 59.92 1ujo n SER 69 Cb 0.59 0.17 0.02 0.00 -1.01 0.00 0.00 64.21 63.99 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 -3.39 0.43 0.26 1.43 2.81 -1.26 -4.61 117.12 112.79 1ujo n MET 70 Ca 0.00 0.16 -0.11 0.00 -1.81 0.00 0.00 57.70 55.94 1ujo n MET 70 Cb 0.02 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 30.99 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 0.40 0.00 -0.96 2.03 2.07 -1.98 0.21 116.25 118.02 1ujo h VAL 71 Ca -0.43 0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.40 1ujo h VAL 71 Cb 1.41 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 31.02 1ujo h VAL 71 CO 0.48 0.00 0.39 -0.26 0.02 0.00 0.00 177.57 178.20 1ujo h PHE 72 N -0.70 0.61 0.48 1.57 -1.00 -1.98 0.91 116.94 116.83 1ujo h PHE 72 Ca -0.07 0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.74 1ujo h PHE 72 Cb 0.55 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1ujo h PHE 72 CO 0.02 -0.27 -0.23 0.87 -1.61 0.00 0.00 178.31 177.09 1ujo h LYS 73 N 0.20 -0.63 -0.42 1.51 1.79 -1.82 0.18 116.57 117.39 1ujo h LYS 73 Ca 0.68 0.04 0.09 0.00 -2.18 0.00 0.00 60.65 59.28 1ujo h LYS 73 Cb 1.53 0.14 -0.09 0.00 -1.58 0.00 0.00 32.23 32.23 1ujo h LYS 73 CO -0.69 -0.42 -0.25 1.96 -1.08 0.00 0.00 179.45 178.98 1ujo h GLN 74 N -0.75 -0.17 -0.40 3.15 4.20 0.96 0.15 115.11 122.25 1ujo h GLN 74 Ca -0.07 0.01 0.08 0.00 0.06 0.00 0.00 58.65 58.74 1ujo h GLN 74 Cb 0.50 0.04 -0.08 0.00 0.30 0.00 0.00 27.48 28.23 1ujo h GLN 74 CO 0.11 -0.11 -0.15 0.52 -0.67 0.00 0.00 178.83 178.53 1ujo h MET 75 N -0.17 -0.07 0.12 1.46 2.86 0.76 -1.91 114.93 117.99 1ujo h MET 75 Ca 0.20 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.85 1ujo h MET 75 Cb 0.48 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1ujo h MET 75 CO -0.52 -0.04 -0.18 0.93 1.06 0.00 0.00 176.91 178.16 1ujo h GLU 76 N -0.07 -0.35 -0.94 1.72 4.39 0.40 -1.71 114.58 118.01 1ujo h GLU 76 Ca 0.20 0.02 0.21 0.00 0.34 0.00 0.00 59.36 60.13 1ujo h GLU 76 Cb 0.37 0.08 -0.18 0.00 -0.10 0.00 0.00 28.75 28.92 1ujo h GLU 76 CO -0.45 -0.23 -0.15 0.94 -1.16 0.00 0.00 179.01 177.96 1ujo n GLN 77 N -5.31 -0.08 0.24 2.33 -0.06 0.39 0.43 117.38 115.31 1ujo n GLN 77 Ca -0.07 1.45 -0.15 0.00 -2.00 0.00 0.00 57.00 56.23 1ujo n GLN 77 Cb 0.22 -2.21 -0.08 0.00 -4.06 0.00 0.00 30.24 24.11 1ujo n GLN 77 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 1ujo h VAL 78 N 0.00 0.55 -0.89 1.69 2.07 -1.00 -2.85 116.25 115.82 1ujo h VAL 78 Ca 0.49 -0.30 0.20 0.00 0.82 0.00 0.00 66.70 67.91 1ujo h VAL 78 Cb 0.86 0.69 -0.17 0.00 -1.52 0.00 0.00 31.29 31.15 1ujo h VAL 78 CO -0.94 0.05 -0.13 0.00 0.02 0.00 0.00 177.57 176.58 1ujo h ALA 79 N -0.29 0.75 -0.74 1.67 0.00 0.86 1.24 119.26 122.75 1ujo h ALA 79 Ca -0.06 0.33 0.15 0.00 0.00 0.00 0.00 54.91 55.32 1ujo h ALA 79 Cb 0.54 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 1ujo h ALA 79 CO 0.10 -0.44 0.27 1.96 0.00 0.00 0.00 179.25 181.14 1ujo h GLN 80 N 0.02 0.38 -0.15 0.00 4.20 -0.37 0.11 115.11 119.31 1ujo h GLN 80 Ca 0.46 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 59.03 1ujo h GLN 80 Cb 0.79 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.49 1ujo h GLN 80 CO -0.87 0.25 -0.36 0.35 -0.67 0.00 0.00 178.83 177.53 1ujo h PHE 81 N 0.40 0.66 0.13 2.96 3.57 0.14 -1.91 116.94 122.89 1ujo h PHE 81 Ca 0.41 -0.25 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1ujo h PHE 81 Cb 0.65 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1ujo h PHE 81 CO -0.19 0.98 -0.48 -0.07 -2.23 0.00 0.00 178.31 176.32 1ujo h LEU 82 N 0.14 -1.45 -0.91 0.59 3.38 0.13 1.51 115.31 118.70 1ujo h LEU 82 Ca -0.00 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.23 1ujo h LEU 82 Cb 0.96 0.53 -0.08 0.00 0.09 0.00 0.00 40.66 42.17 1ujo h LEU 82 CO 0.08 -0.52 0.55 0.50 0.09 0.00 0.00 178.44 179.14 1ujo h LYS 83 N -0.71 0.86 -0.46 1.13 1.63 -0.91 0.03 116.57 118.14 1ujo h LYS 83 Ca -0.01 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1ujo h LYS 83 Cb 0.70 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.12 1ujo h LYS 83 CO -0.25 0.57 0.28 0.00 -3.45 0.00 0.00 179.45 176.59 1ujo h ALA 84 N 1.50 0.59 -0.42 5.00 0.00 -0.31 -2.41 119.26 123.20 1ujo h ALA 84 Ca 0.45 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.38 1ujo h ALA 84 Cb 0.43 -0.18 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 1ujo h ALA 84 CO -0.26 0.08 -0.06 0.00 0.00 0.00 0.00 179.25 179.00 1ujo h ALA 85 N 1.13 0.32 -0.18 0.00 0.00 0.40 -2.18 119.26 118.76 1ujo h ALA 85 Ca 0.16 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1ujo h ALA 85 Cb -0.00 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1ujo h ALA 85 CO -0.03 -0.43 -0.50 1.49 0.00 0.00 0.00 179.25 179.78 1ujo h GLU 86 N 0.04 -0.48 -0.99 0.00 4.22 -0.83 -0.39 114.58 116.16 1ujo h GLU 86 Ca 0.21 0.03 0.19 0.00 0.08 0.00 0.00 59.36 59.87 1ujo h GLU 86 Cb 0.31 0.11 -0.18 0.00 0.50 0.00 0.00 28.75 29.49 1ujo h GLU 86 CO -0.40 -0.32 -0.27 -3.47 -2.18 0.00 0.00 179.01 172.37 1ujo n ASP 87 N -5.18 -0.41 -0.33 1.04 -0.08 -0.86 0.19 116.55 110.92 1ujo n ASP 87 Ca -0.05 1.70 0.27 0.00 -1.51 0.00 0.00 54.79 55.20 1ujo n ASP 87 Cb 0.34 -0.49 0.51 0.00 2.34 0.00 0.00 41.12 43.82 1ujo n ASP 87 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1ujo h TYR 88 N 0.00 0.76 0.00 -0.67 3.20 -0.65 -3.43 116.97 116.19 1ujo h TYR 88 Ca 0.45 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.36 1ujo h TYR 88 Cb 0.70 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.80 1ujo h TYR 88 CO -0.78 -0.36 0.00 0.41 -1.64 0.00 0.00 178.16 175.79 1ujo n GLY 89 N -1.30 0.52 3.46 1.82 0.00 0.49 -5.04 105.19 105.14 1ujo n GLY 89 Ca 0.34 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.90 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 1.88 -0.80 1.61 0.31 -0.94 -4.95 118.33 115.44 1ujo n VAL 90 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1ujo n VAL 90 Cb 0.00 -0.36 0.00 0.00 -0.91 0.00 0.00 33.84 32.57 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 -0.11 0.00 0.60 2.52 -5.35 -1.26 -4.57 119.36 111.18 1ujo n ILE 91 Ca 0.14 0.00 0.06 0.00 -0.27 0.00 0.00 62.75 62.69 1ujo n ILE 91 Cb 0.30 -1.92 -0.08 0.00 -1.74 0.00 0.00 39.64 36.20 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 -0.87 2.46 0.00 6.28 4.76 -1.26 -4.02 118.16 125.51 1ujo n LYS 92 Ca 0.00 -0.01 0.13 0.00 -2.87 0.00 0.00 58.31 55.56 1ujo n LYS 92 Cb 0.00 -1.14 0.35 0.00 -1.84 0.00 0.00 35.03 32.40 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 -1.35 0.00 0.03 -0.18 -2.24 -1.26 -3.80 114.28 105.48 1ujo n THR 93 Ca 0.02 -0.30 0.04 0.00 -2.27 0.00 0.00 64.05 61.54 1ujo n THR 93 Cb 0.22 0.81 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.36 2.84 -4.77 3.42 5.75 -1.26 -5.01 116.55 117.87 1ujo n ASP 94 Ca 0.16 -0.07 -0.38 0.00 -0.01 0.00 0.00 54.79 54.49 1ujo n ASP 94 Cb 0.43 1.34 -0.03 0.00 -1.03 0.00 0.00 41.12 41.83 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1ujo s MET 95 N -2.49 4.16 0.54 0.11 -1.94 -1.25 -2.69 119.30 115.75 1ujo s MET 95 Ca -0.02 1.80 0.03 0.00 -1.71 0.00 0.00 55.69 55.78 1ujo s MET 95 Cb 0.05 -2.74 0.02 0.00 2.01 0.00 0.00 34.83 34.17 1ujo s MET 95 CO 0.34 -0.21 0.21 -0.59 -0.01 0.00 0.00 175.02 174.76 1ujo s PHE 96 N -1.40 1.63 -0.07 -0.03 -0.12 -1.26 -5.00 117.98 111.72 1ujo s PHE 96 Ca 0.55 -0.94 -0.12 0.00 -0.05 0.00 0.00 56.93 56.38 1ujo s PHE 96 Cb -0.30 -1.74 -0.05 0.00 -0.63 0.00 0.00 43.02 40.30 1ujo s PHE 96 CO 0.38 -0.17 0.28 -0.65 -0.05 0.00 0.00 175.22 175.01 1ujo s GLN 97 N -4.11 3.79 0.38 1.99 -0.21 -1.26 -4.95 119.66 115.29 1ujo s GLN 97 Ca 0.17 0.15 0.25 0.00 0.02 0.00 0.00 55.36 55.95 1ujo s GLN 97 Cb -0.01 -3.25 1.32 0.00 1.00 0.00 0.00 33.01 32.08 1ujo s GLN 97 CO 0.11 0.65 1.45 2.41 -2.12 0.00 0.00 175.29 177.79 1ujo n THR 98 N 2.19 -0.30 0.06 -0.19 -1.04 -1.26 0.20 114.28 113.93 1ujo n THR 98 Ca -0.16 1.76 -0.13 0.00 -2.04 0.00 0.00 64.05 63.49 1ujo n THR 98 Cb 0.53 -2.88 -0.09 0.00 -1.82 0.00 0.00 70.33 66.08 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 1.06 -1.91 12.58 3.04 -1.95 1.56 116.25 130.63 1ujo h VAL 99 Ca 0.80 -0.71 0.55 0.00 -1.01 0.00 0.00 66.70 66.34 1ujo h VAL 99 Cb 2.38 1.51 -0.08 0.00 -2.01 0.00 0.00 31.29 33.10 1ujo h VAL 99 CO -0.56 0.17 1.41 0.47 -1.01 0.00 0.00 177.57 178.06 1ujo n ASP 100 N -5.00 0.00 -0.03 3.17 8.00 0.53 0.11 116.55 123.32 1ujo n ASP 100 Ca -0.09 0.97 -0.03 0.00 0.71 0.00 0.00 54.79 56.36 1ujo n ASP 100 Cb 0.21 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.82 1ujo n ASP 100 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ujo n LEU 101 N -3.86 0.79 -0.35 0.64 7.94 -0.97 -1.62 117.00 119.57 1ujo n LEU 101 Ca 0.43 0.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.47 1ujo n LEU 101 Cb 1.99 -0.54 0.06 0.00 0.53 0.00 0.00 43.42 45.46 1ujo n LEU 101 CO 0.43 -0.43 0.62 0.22 -1.11 0.00 0.00 177.39 177.12 1ujo h TYR 102 N -0.37 -0.89 -0.57 1.96 3.20 0.29 0.58 116.97 121.17 1ujo h TYR 102 Ca 0.00 0.10 -0.26 0.00 3.14 0.00 0.00 58.73 61.70 1ujo h TYR 102 Cb 0.37 0.53 -0.16 0.00 1.54 0.00 0.00 36.73 39.01 1ujo h TYR 102 CO -0.16 -0.40 0.18 0.39 -1.64 0.00 0.00 178.16 176.53 1ujo n GLU 103 N -5.51 2.28 -2.78 1.82 -0.58 0.30 -4.92 120.64 111.25 1ujo n GLU 103 Ca 0.11 -3.09 -0.13 0.00 -0.42 0.00 0.00 57.16 53.63 1ujo n GLU 103 Cb 0.42 -1.97 -0.02 0.00 -0.57 0.00 0.00 31.44 29.29 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 -0.96 -0.36 0.43 0.62 0.00 0.20 -4.64 105.19 100.48 1ujo n GLY 104 Ca 0.41 0.02 0.23 0.00 0.00 0.00 0.00 46.02 46.68 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 -0.27 0.00 -0.50 1.61 1.79 -0.78 -3.35 116.57 115.07 1ujo h LYS 105 Ca -0.18 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.45 1ujo h LYS 105 Cb 0.90 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 31.36 1ujo h LYS 105 CO 0.27 0.00 -0.11 -0.51 -1.08 0.00 0.00 179.45 178.02 1ujo s ASP 106 N -4.95 -0.80 0.20 0.86 1.01 -0.68 -4.87 116.67 107.44 1ujo s ASP 106 Ca -0.04 0.14 0.04 0.00 0.71 0.00 0.00 52.55 53.40 1ujo s ASP 106 Cb 0.16 1.53 0.13 0.00 1.01 0.00 0.00 42.92 45.75 1ujo s ASP 106 CO 0.56 -0.15 1.48 0.24 0.21 0.00 0.00 175.17 177.51 1ujo h MET 107 N 7.57 0.20 -0.69 8.23 2.86 -1.71 -2.93 114.93 128.46 1ujo h MET 107 Ca -0.08 -0.17 0.15 0.00 -2.06 0.00 0.00 59.70 57.54 1ujo h MET 107 Cb 1.18 0.04 -0.12 0.00 0.06 0.00 0.00 31.60 32.76 1ujo h MET 107 CO -0.01 0.84 0.03 0.00 1.06 0.00 0.00 176.91 178.83 1ujo h ALA 108 N 1.11 0.73 0.08 6.32 0.00 -1.95 -0.55 119.26 125.00 1ujo h ALA 108 Ca -0.02 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ujo h ALA 108 Cb 1.30 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1ujo h ALA 108 CO 0.11 -0.40 -0.04 0.00 0.00 0.00 0.00 179.25 178.93 1ujo h ALA 109 N 1.63 -0.10 -1.81 0.00 0.00 -1.93 -2.43 119.26 114.60 1ujo h ALA 109 Ca 0.37 -0.23 0.54 0.00 0.00 0.00 0.00 54.91 55.60 1ujo h ALA 109 Cb 0.63 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 1ujo h ALA 109 CO -0.58 -0.32 1.28 0.28 0.00 0.00 0.00 179.25 179.91 1ujo n VAL 110 N -4.92 -0.06 -0.06 0.00 0.31 -0.39 0.99 118.33 114.20 1ujo n VAL 110 Ca -0.08 1.54 -0.08 0.00 -0.01 0.00 0.00 64.34 65.70 1ujo n VAL 110 Cb 0.25 -2.55 -0.07 0.00 -0.91 0.00 0.00 33.84 30.56 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 -1.29 5.55 4.20 -0.93 -3.17 115.11 119.47 1ujo h GLN 111 Ca 0.91 0.00 0.45 0.00 0.06 0.00 0.00 58.65 60.07 1ujo h GLN 111 Cb 3.51 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 31.15 1ujo h GLN 111 CO -0.11 0.56 0.82 -0.09 -0.67 0.00 0.00 178.83 179.34 1ujo h ARG 112 N -1.00 0.05 0.42 1.46 1.12 0.11 1.18 114.38 117.72 1ujo h ARG 112 Ca -0.01 -0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.84 1ujo h ARG 112 Cb 0.59 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 1ujo h ARG 112 CO -0.01 0.03 -0.20 1.15 -3.11 0.00 0.00 179.97 177.84 1ujo h THR 113 N 0.05 0.00 -0.11 0.20 2.02 -0.98 -2.74 112.91 111.35 1ujo h THR 113 Ca 0.85 -0.27 0.04 0.00 0.77 0.00 0.00 66.41 67.80 1ujo h THR 113 Cb 2.61 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 68.97 1ujo h THR 113 CO -0.49 0.00 -0.15 -0.07 0.37 0.00 0.00 175.52 175.18 1ujo h LEU 114 N -0.83 -0.45 -1.96 2.58 3.38 -0.75 0.83 115.31 118.11 1ujo h LEU 114 Ca -0.06 0.08 0.42 0.00 0.09 0.00 0.00 57.88 58.42 1ujo h LEU 114 Cb 0.43 0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.33 1ujo h LEU 114 CO 0.09 -0.19 1.04 0.24 0.09 0.00 0.00 178.44 179.72 1ujo h MET 115 N -0.19 0.01 0.16 1.13 2.86 0.12 0.89 114.93 119.92 1ujo h MET 115 Ca 0.09 -0.00 -0.28 0.00 -2.06 0.00 0.00 59.70 57.44 1ujo h MET 115 Cb 0.31 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.98 1ujo h MET 115 CO -0.23 0.01 -1.37 0.00 1.06 0.00 0.00 176.91 176.38 1ujo h ALA 116 N 1.28 0.05 0.30 6.32 0.00 -0.60 -3.18 119.26 123.43 1ujo h ALA 116 Ca 0.70 -0.97 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1ujo h ALA 116 Cb 2.77 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 20.87 1ujo h ALA 116 CO -0.03 0.75 -0.50 1.25 0.00 0.00 0.00 179.25 180.72 1ujo h LEU 117 N -0.15 -1.43 -0.12 0.00 5.85 0.25 0.33 115.31 120.04 1ujo h LEU 117 Ca -0.27 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.60 1ujo h LEU 117 Cb 1.88 0.50 -0.03 0.00 0.37 0.00 0.00 40.66 43.39 1ujo h LEU 117 CO 0.15 -0.59 -0.24 1.23 -0.34 0.00 0.00 178.44 178.65 1ujo h GLY 118 N -0.84 -1.46 -0.41 3.75 0.00 -1.11 0.51 103.07 103.52 1ujo h GLY 118 Ca -0.03 0.73 0.25 0.00 0.00 0.00 0.00 47.33 48.29 1ujo h GLY 118 CO -0.17 -0.45 0.37 0.23 0.00 0.00 0.00 176.54 176.52 1ujo h SER 119 N -0.21 0.23 -0.28 0.19 0.87 -1.51 1.05 113.55 113.88 1ujo h SER 119 Ca 0.02 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1ujo h SER 119 Cb 0.27 0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.42 1ujo h SER 119 CO -0.22 -0.11 0.18 -0.07 -0.53 0.00 0.00 176.83 176.07 1ujo h LEU 120 N 0.29 0.33 -1.22 2.23 3.38 0.15 1.24 115.31 121.71 1ujo h LEU 120 Ca 0.60 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.47 1ujo h LEU 120 Cb 1.25 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1ujo h LEU 120 CO -0.61 0.26 -0.23 0.00 0.09 0.00 0.00 178.44 177.95 1ujo h ALA 121 N 1.08 1.35 -0.06 1.53 0.00 0.50 -2.42 119.26 121.24 1ujo h ALA 121 Ca 0.10 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1ujo h ALA 121 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ujo h ALA 121 CO -0.02 0.44 -0.21 0.28 0.00 0.00 0.00 179.25 179.74 1ujo h VAL 122 N 0.22 1.43 -0.27 0.00 2.07 0.18 -2.63 116.25 117.25 1ujo h VAL 122 Ca 0.04 -1.60 0.06 0.00 0.82 0.00 0.00 66.70 66.01 1ujo h VAL 122 Cb 0.54 2.30 -0.08 0.00 -1.52 0.00 0.00 31.29 32.54 1ujo h VAL 122 CO 0.04 0.45 -0.40 0.74 0.02 0.00 0.00 177.57 178.42 1ujo h THR 123 N -0.25 0.16 0.00 2.57 2.02 0.18 -2.92 112.91 114.67 1ujo h THR 123 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1ujo h THR 123 Cb 0.84 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1ujo h THR 123 CO 0.05 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.23 1ujo n LYS 124 N -5.42 0.00 -2.75 6.66 5.02 -0.93 -4.97 118.16 115.76 1ujo n LYS 124 Ca -0.02 0.63 -0.02 0.00 -2.02 0.00 0.00 58.31 56.88 1ujo n LYS 124 Cb 0.35 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.87 1ujo n LYS 124 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ujo n ASN 125 N -2.23 -5.79 0.03 4.39 5.15 -0.99 -5.01 115.26 110.81 1ujo n ASN 125 Ca 0.00 1.30 0.00 0.00 -0.60 0.00 0.00 54.58 55.28 1ujo n ASN 125 Cb 0.00 -4.79 0.00 0.00 -0.53 0.00 0.00 39.78 34.46 1ujo n ASN 125 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1ujo n ASP 126 N 1.13 -0.02 0.00 1.20 2.03 -1.26 -5.04 116.55 114.59 1ujo n ASP 126 Ca -0.12 0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.29 1ujo n ASP 126 Cb 0.23 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.71 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 1.63 0.00 1.37 0.27 0.00 -1.26 -5.05 105.19 102.15 1ujo n GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ujo n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ujo n ASN 128 N 0.00 0.16 -4.55 1.61 5.03 -1.26 -4.97 115.26 111.27 1ujo n ASN 128 Ca 0.00 0.07 -0.32 0.00 0.87 0.00 0.00 54.58 55.20 1ujo n ASN 128 Cb 0.00 -0.01 -0.04 0.00 -1.02 0.00 0.00 39.78 38.71 1ujo n ASN 128 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ujo s TYR 129 N -2.00 1.50 0.45 3.10 6.14 -1.26 -4.77 117.35 120.51 1ujo s TYR 129 Ca 0.00 1.07 0.20 0.00 0.64 0.00 0.00 57.07 58.98 1ujo s TYR 129 Cb 0.00 -3.89 1.23 0.00 0.42 0.00 0.00 41.96 39.72 1ujo s TYR 129 CO 0.00 -2.13 2.04 0.00 0.64 0.00 0.00 175.55 176.10 1ujo h ARG 130 N 14.79 0.00 0.00 4.97 2.47 -1.93 -3.43 114.38 131.25 1ujo h ARG 130 Ca -0.14 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.58 1ujo h ARG 130 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.45 1ujo h ARG 130 CO 1.18 0.15 0.00 0.41 0.56 0.00 0.00 179.97 182.26 1ujo n GLY 131 N -0.92 -0.59 3.69 0.04 0.00 -1.26 -5.03 105.19 101.11 1ujo n GLY 131 Ca -0.02 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 1ujo n GLY 131 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ujo s ASP 132 N -1.00 5.29 0.18 1.61 2.15 -1.26 -5.01 116.67 118.63 1ujo s ASP 132 Ca 0.00 0.15 0.02 0.00 0.43 0.00 0.00 52.55 53.15 1ujo s ASP 132 Cb 0.00 -1.53 0.05 0.00 -0.30 0.00 0.00 42.92 41.14 1ujo s ASP 132 CO 0.00 0.37 1.42 1.55 -0.17 0.00 0.00 175.17 178.33 1ujo h PRO 133 N 5.25 0.23 -0.09 4.34 0.13 -1.94 -3.00 132.00 136.92 1ujo h PRO 133 Ca -0.50 -0.23 0.03 0.00 -0.87 0.00 0.00 66.00 64.43 1ujo h PRO 133 Cb 1.19 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 1ujo h PRO 133 CO 0.55 0.92 0.43 -0.91 -0.23 0.00 0.00 178.00 178.76 1ujo h ASN 134 N 0.14 0.00 0.15 1.44 2.35 -1.95 0.90 115.58 118.61 1ujo h ASN 134 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1ujo h ASN 134 Cb 1.41 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.76 1ujo h ASN 134 CO 0.13 0.00 -0.29 -0.50 -1.65 0.00 0.00 177.43 175.12 1ujo h TRP 135 N 0.00 -0.83 0.08 1.19 6.55 -1.96 -3.26 115.95 117.72 1ujo h TRP 135 Ca 0.04 0.02 -0.32 0.00 0.95 0.00 0.00 58.89 59.58 1ujo h TRP 135 Cb 0.90 0.34 -0.03 0.00 -0.86 0.00 0.00 29.16 29.51 1ujo h TRP 135 CO 0.00 -0.35 -1.76 0.74 -1.05 0.00 0.00 178.44 176.02 1ujo h PHE 136 N -0.48 0.31 -1.62 0.49 -1.00 -1.44 -3.45 116.94 109.75 1ujo h PHE 136 Ca -0.02 -0.22 -0.52 0.00 2.81 0.00 0.00 57.97 60.02 1ujo h PHE 136 Cb 0.45 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.00 1ujo h PHE 136 CO -0.30 1.40 1.58 -0.12 -1.61 0.00 0.00 178.31 179.26 1ujo n MET 137 N -3.32 1.31 -3.25 1.51 1.56 0.30 -4.92 117.12 110.31 1ujo n MET 137 Ca -0.22 0.20 -0.39 0.00 -0.27 0.00 0.00 57.70 57.02 1ujo n MET 137 Cb 1.05 -3.21 -0.06 0.00 2.15 0.00 0.00 33.22 33.15 1ujo n MET 137 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 1ujo s LYS 138 N 7.50 4.27 0.53 2.12 -0.14 -1.26 -4.56 119.74 128.20 1ujo s LYS 138 Ca 1.02 0.47 -0.06 0.00 -1.36 0.00 0.00 55.97 56.04 1ujo s LYS 138 Cb -0.34 -3.50 -0.02 0.00 -1.68 0.00 0.00 37.83 32.30 1ujo s LYS 138 CO 0.32 -0.01 0.85 -1.54 -0.76 0.00 0.00 175.35 174.21 1ujo s SER 139 N 0.91 5.97 0.00 2.83 1.04 -1.26 -5.07 113.70 118.12 1ujo s SER 139 Ca 0.26 0.85 0.00 0.00 0.48 0.00 0.00 55.95 57.54 1ujo s SER 139 Cb -0.15 -2.02 0.00 0.00 0.10 0.00 0.00 66.02 63.95 1ujo s SER 139 CO 0.10 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.13 1ujo n GLY 140 N -2.42 3.51 2.43 7.32 0.00 -1.26 -4.98 105.19 109.78 1ujo n GLY 140 Ca 0.03 -0.97 -0.26 0.00 0.00 0.00 0.00 46.02 44.82 1ujo n GLY 140 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujo n PRO 141 N -1.22 2.59 -3.71 1.61 -0.04 -1.26 -4.73 135.00 128.24 1ujo n PRO 141 Ca 0.00 -1.62 -0.11 0.00 -0.04 0.00 0.00 63.50 61.73 1ujo n PRO 141 Cb 0.00 -2.49 -0.11 0.00 -0.04 0.00 0.00 33.50 30.86 1ujo n PRO 141 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ujo s SER 142 N 2.79 -0.48 -0.29 3.54 0.15 -1.26 -5.14 113.70 113.01 1ujo s SER 142 Ca 0.52 0.85 -0.11 0.00 0.70 0.00 0.00 55.95 57.92 1ujo s SER 142 Cb 0.15 0.76 -0.03 0.00 -1.71 0.00 0.00 66.02 65.19 1ujo s SER 142 CO -0.04 -0.18 0.18 -0.44 1.20 0.00 0.00 173.24 173.96 1ujo s SER 143 N 1.12 5.82 0.00 5.45 0.01 -1.26 -5.09 113.70 119.74 1ujo s SER 143 Ca -0.07 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1ujo s SER 143 Cb -0.07 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.08 1ujo s SER 143 CO -0.09 -0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.05