#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 -0.76 0.61 1.61 0.01 -1.26 -5.13 113.70 108.78 1ujo s SER 2 Ca 0.00 1.28 0.00 0.00 1.31 0.00 0.00 55.95 58.54 1ujo s SER 2 Cb 0.00 1.18 0.00 0.00 0.21 0.00 0.00 66.02 67.41 1ujo s SER 2 CO 0.00 -0.22 0.00 -1.20 0.41 0.00 0.00 173.24 172.23 1ujo n SER 3 N 4.00 -8.17 0.00 2.44 7.64 -1.26 -5.03 113.62 113.23 1ujo n SER 3 Ca -0.20 1.40 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1ujo n SER 3 Cb 0.57 -5.01 0.00 0.00 -1.01 0.00 0.00 64.21 58.77 1ujo n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujo n GLY 4 N -4.38 0.76 1.30 0.23 0.00 -1.26 -5.05 105.19 96.79 1ujo n GLY 4 Ca -0.09 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.10 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 -7.76 -4.25 1.61 7.64 -1.26 -4.78 113.62 104.82 1ujo n SER 5 Ca 0.00 0.58 -0.14 0.00 1.01 0.00 0.00 58.87 60.32 1ujo n SER 5 Cb 0.00 -3.98 -0.10 0.00 -1.01 0.00 0.00 64.21 59.11 1ujo n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1ujo s SER 6 N -6.71 0.81 0.36 6.43 0.15 -1.26 -4.93 113.70 108.55 1ujo s SER 6 Ca 0.00 -1.33 0.03 0.00 0.70 0.00 0.00 55.95 55.35 1ujo s SER 6 Cb 0.00 0.23 0.05 0.00 -1.71 0.00 0.00 66.02 64.59 1ujo s SER 6 CO 0.00 -0.73 0.38 0.61 1.20 0.00 0.00 173.24 174.70 1ujo n GLY 7 N -0.33 1.46 3.92 9.45 0.00 -1.26 -4.82 105.19 113.61 1ujo n GLY 7 Ca -0.01 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 1ujo n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ujo s GLU 8 N -3.31 3.52 0.11 1.61 2.02 -1.26 -5.02 118.70 116.37 1ujo s GLU 8 Ca 0.27 -0.34 -0.32 0.00 0.02 0.00 0.00 54.97 54.61 1ujo s GLU 8 Cb -0.02 -2.90 -0.12 0.00 0.10 0.00 0.00 34.13 31.19 1ujo s GLU 8 CO 0.18 0.48 1.59 0.93 0.02 0.00 0.00 175.26 178.45 1ujo h GLU 9 N 2.44 -0.69 -0.37 1.61 4.39 -2.00 -1.77 114.58 118.20 1ujo h GLU 9 Ca -0.47 0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.32 1ujo h GLU 9 Cb 1.18 0.16 -0.06 0.00 -0.10 0.00 0.00 28.75 29.93 1ujo h GLU 9 CO 0.71 -0.46 -0.34 1.25 -1.16 0.00 0.00 179.01 179.01 1ujo h LEU 10 N -0.72 -1.17 -0.97 1.33 6.46 -1.99 0.79 115.31 119.04 1ujo h LEU 10 Ca 0.00 0.16 0.16 0.00 -0.12 0.00 0.00 57.88 58.08 1ujo h LEU 10 Cb 0.71 0.50 -0.16 0.00 -0.73 0.00 0.00 40.66 40.97 1ujo h LEU 10 CO -0.19 -0.20 -0.36 1.21 -0.62 0.00 0.00 178.44 178.28 1ujo n GLU 11 N -4.30 -0.21 -0.13 1.25 2.13 -1.08 0.67 120.64 118.97 1ujo n GLU 11 Ca -0.01 1.49 -0.13 0.00 0.66 0.00 0.00 57.16 59.17 1ujo n GLU 11 Cb 0.18 -2.22 -0.09 0.00 0.27 0.00 0.00 31.44 29.59 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 -0.38 0.16 5.31 5.08 0.03 0.18 114.58 124.96 1ujo h GLU 12 Ca 0.35 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1ujo h GLU 12 Cb 0.60 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 1ujo h GLU 12 CO -0.97 -0.25 -0.10 -0.09 -1.00 0.00 0.00 179.01 176.60 1ujo h ARG 13 N -0.40 -0.25 -0.88 2.33 2.43 0.33 0.14 114.38 118.08 1ujo h ARG 13 Ca 0.08 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.39 1ujo h ARG 13 Cb 0.60 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 30.07 1ujo h ARG 13 CO -0.59 -0.17 -0.44 -0.07 -1.51 0.00 0.00 179.97 177.19 1ujo h LEU 14 N -0.26 -1.60 0.29 3.80 3.38 0.12 0.30 115.31 121.34 1ujo h LEU 14 Ca -0.01 0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1ujo h LEU 14 Cb 0.22 0.78 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 1ujo h LEU 14 CO 0.01 -0.29 -0.16 0.58 0.09 0.00 0.00 178.44 178.67 1ujo h VAL 15 N -0.06 0.66 -0.97 1.22 2.07 -0.41 -0.03 116.25 118.72 1ujo h VAL 15 Ca 0.26 0.00 0.28 0.00 0.82 0.00 0.00 66.70 68.06 1ujo h VAL 15 Cb 0.55 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 1ujo h VAL 15 CO -0.89 0.00 0.94 -0.33 0.02 0.00 0.00 177.57 177.30 1ujo h GLU 16 N -0.43 0.00 0.00 1.57 5.08 0.15 0.53 114.58 121.48 1ujo h GLU 16 Ca -0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ujo h GLU 16 Cb 0.35 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1ujo h GLU 16 CO 0.04 0.00 -0.22 2.35 -1.00 0.00 0.00 179.01 180.18 1ujo h TRP 17 N 0.00 0.00 -0.47 4.33 7.01 0.78 -3.12 115.95 124.48 1ujo h TRP 17 Ca 0.46 0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.60 1ujo h TRP 17 Cb 2.33 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 29.37 1ujo h TRP 17 CO 0.00 0.36 0.63 0.82 -2.79 0.00 0.00 178.44 177.46 1ujo h ILE 18 N -1.00 0.21 0.21 2.65 2.04 0.14 1.15 117.51 122.91 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 0.45 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 1ujo h ILE 18 CO -0.02 0.00 -0.10 0.58 0.00 0.00 0.00 178.15 178.61 1ujo h VAL 19 N 0.00 0.75 -0.42 1.67 2.07 -0.22 0.12 116.25 120.22 1ujo h VAL 19 Ca 0.22 -0.97 -0.12 0.00 0.82 0.00 0.00 66.70 66.65 1ujo h VAL 19 Cb 1.48 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 1ujo h VAL 19 CO -0.00 0.18 -0.22 -0.37 0.02 0.00 0.00 177.57 177.18 1ujo h VAL 20 N -0.85 1.27 0.08 2.57 -1.51 -0.40 1.55 116.25 118.96 1ujo h VAL 20 Ca -0.03 -1.35 -0.00 0.00 -1.23 0.00 0.00 66.70 64.08 1ujo h VAL 20 Cb 0.51 1.18 0.00 0.00 -2.13 0.00 0.00 31.29 30.85 1ujo h VAL 20 CO 0.05 0.46 -0.04 1.56 -1.23 0.00 0.00 177.57 178.37 1ujo h GLN 21 N 0.74 -0.11 0.33 5.19 1.08 0.11 -3.34 115.11 119.11 1ujo h GLN 21 Ca 0.10 0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 1ujo h GLN 21 Cb 0.75 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.21 1ujo h GLN 21 CO 0.06 -0.07 -0.16 0.00 -0.95 0.00 0.00 178.83 177.71 1ujo n GLY 23 N -0.55 1.40 2.31 0.00 0.00 0.53 -4.78 105.19 104.10 1ujo n GLY 23 Ca -0.10 -2.22 -0.19 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.66 2.15 0.00 1.61 -0.04 -1.25 -3.32 135.00 133.49 1ujo n PRO 24 Ca 0.00 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.19 1ujo n PRO 24 Cb 0.00 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 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 0.82 0.16 3.54 2.03 -1.26 -4.76 116.55 120.37 1ujo n ASP 25 Ca 0.46 0.00 0.01 0.00 0.52 0.00 0.00 54.79 55.78 1ujo n ASP 25 Cb 0.43 0.00 0.28 0.00 -0.72 0.00 0.00 41.12 41.10 1ujo n ASP 25 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1ujo h VAL 26 N 0.00 1.34 0.00 5.18 -1.51 -1.90 -3.48 116.25 115.88 1ujo h VAL 26 Ca 0.00 -1.61 0.00 0.00 -1.23 0.00 0.00 66.70 63.86 1ujo h VAL 26 Cb 0.58 1.86 0.00 0.00 -2.13 0.00 0.00 31.29 31.60 1ujo h VAL 26 CO 0.00 0.46 0.00 0.61 -1.23 0.00 0.00 177.57 177.41 1ujo n GLY 27 N -0.17 0.49 3.29 5.19 0.00 -1.26 -4.97 105.19 107.76 1ujo n GLY 27 Ca -0.02 -1.31 -0.16 0.00 0.00 0.00 0.00 46.02 44.54 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 1.38 0.53 1.61 0.52 -1.26 -4.88 118.95 116.85 1ujo s ARG 28 Ca 0.00 -1.75 -0.18 0.00 -0.52 0.00 0.00 55.73 53.28 1ujo s ARG 28 Cb 0.00 -0.13 -0.07 0.00 0.52 0.00 0.00 34.95 35.27 1ujo s ARG 28 CO 0.00 -0.33 1.04 -1.25 0.02 0.00 0.00 175.30 174.78 1ujo s PRO 29 N -4.04 3.62 0.78 3.54 0.04 -1.26 -5.03 135.00 132.65 1ujo s PRO 29 Ca 0.38 1.27 -0.12 0.00 0.04 0.00 0.00 61.00 62.58 1ujo s PRO 29 Cb 0.07 -2.07 0.18 0.00 0.04 0.00 0.00 34.50 32.72 1ujo s PRO 29 CO 0.14 -0.57 0.41 -0.25 0.04 0.00 0.00 177.00 176.77 1ujo n ASP 30 N -1.42 -2.85 -4.11 6.66 9.92 -1.26 -4.88 116.55 118.60 1ujo n ASP 30 Ca 0.09 -0.41 -0.36 0.00 -0.53 0.00 0.00 54.79 53.57 1ujo n ASP 30 Cb 0.53 -0.56 0.08 0.00 -0.64 0.00 0.00 41.12 40.53 1ujo n ASP 30 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1ujo n ARG 31 N -2.76 -0.41 -1.56 -1.24 1.74 -1.26 -4.72 116.66 106.45 1ujo n ARG 31 Ca 0.07 -0.11 -0.47 0.00 -0.77 0.00 0.00 57.85 56.57 1ujo n ARG 31 Cb 0.28 -1.27 -0.03 0.00 -1.02 0.00 0.00 32.46 30.43 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 2.91 -0.32 1.32 -0.13 0.00 -1.26 -4.23 105.19 103.48 1ujo n GLY 32 Ca -0.00 0.41 0.15 0.00 0.00 0.00 0.00 46.02 46.58 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 1.16 -3.08 -4.28 1.61 5.12 -1.26 -4.76 116.66 111.17 1ujo n ARG 33 Ca 0.13 2.52 -0.32 0.00 -1.93 0.00 0.00 57.85 58.26 1ujo n ARG 33 Cb 0.28 -3.56 -0.09 0.00 -1.16 0.00 0.00 32.46 27.93 1ujo n ARG 33 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1ujo n LEU 34 N -4.05 -1.01 0.00 0.55 4.32 -1.26 -4.65 117.00 110.90 1ujo n LEU 34 Ca -0.08 -1.26 0.00 0.00 -0.02 0.00 0.00 56.01 54.64 1ujo n LEU 34 Cb 0.62 -1.64 0.00 0.00 -1.62 0.00 0.00 43.42 40.78 1ujo n LEU 34 CO 0.03 0.49 0.00 0.61 -1.22 0.00 0.00 177.39 177.30 1ujo n GLY 35 N -2.52 -0.19 0.21 -0.72 0.00 -1.26 -4.80 105.19 95.91 1ujo n GLY 35 Ca -0.32 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 0.79 -0.80 1.61 3.57 -1.85 0.32 116.94 120.57 1ujo h PHE 36 Ca 0.00 -0.20 0.05 0.00 3.53 0.00 0.00 57.97 61.35 1ujo h PHE 36 Cb 0.00 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.51 1ujo h PHE 36 CO 0.00 0.91 0.53 0.37 -2.23 0.00 0.00 178.31 177.89 1ujo h GLN 37 N 0.45 0.89 0.00 1.11 -0.00 -1.92 0.11 115.11 115.75 1ujo h GLN 37 Ca 0.07 -0.05 -0.23 0.00 -0.00 0.00 0.00 58.65 58.44 1ujo h GLN 37 Cb 0.71 -0.20 -0.03 0.00 0.00 0.00 0.00 27.48 27.96 1ujo h GLN 37 CO 0.05 0.59 -1.13 0.28 0.00 0.00 0.00 178.83 178.61 1ujo h VAL 38 N 0.92 1.56 -0.67 2.39 2.07 -1.85 -2.43 116.25 118.23 1ujo h VAL 38 Ca 0.34 -3.29 -0.03 0.00 0.82 0.00 0.00 66.70 64.54 1ujo h VAL 38 Cb 0.16 2.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1ujo h VAL 38 CO -0.11 0.89 0.29 -0.25 0.02 0.00 0.00 177.57 178.41 1ujo h TRP 39 N 0.00 0.98 -0.69 1.57 7.01 0.11 -1.75 115.95 123.18 1ujo h TRP 39 Ca -0.06 -0.05 -0.41 0.00 2.11 0.00 0.00 58.89 60.48 1ujo h TRP 39 Cb 1.82 -0.30 -0.24 0.00 -2.10 0.00 0.00 29.16 28.34 1ujo h TRP 39 CO 0.00 0.73 0.17 1.28 -2.79 0.00 0.00 178.44 177.83 1ujo n LEU 40 N -4.32 5.56 -0.09 0.65 4.77 0.24 -4.55 117.00 119.26 1ujo n LEU 40 Ca 0.06 -3.99 -0.11 0.00 -0.03 0.00 0.00 56.01 51.94 1ujo n LEU 40 Cb 0.16 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.50 1ujo n LEU 40 CO 0.39 1.38 -0.63 1.17 -1.33 0.00 0.00 177.39 178.38 1ujo n LYS 41 N -1.03 0.51 -0.31 3.23 4.81 -0.66 -4.43 118.16 120.27 1ujo n LYS 41 Ca 0.47 0.37 0.04 0.00 -0.87 0.00 0.00 58.31 58.32 1ujo n LYS 41 Cb 1.10 -1.57 0.11 0.00 0.02 0.00 0.00 35.03 34.70 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 -1.00 -0.83 0.00 3.14 4.21 -1.80 -3.45 115.58 115.85 1ujo h ASN 42 Ca -0.11 0.27 0.00 0.00 1.21 0.00 0.00 56.30 57.66 1ujo h ASN 42 Cb 0.91 0.55 0.00 0.00 -1.12 0.00 0.00 38.32 38.66 1ujo h ASN 42 CO -0.07 -0.29 0.00 0.61 -1.29 0.00 0.00 177.43 176.39 1ujo n GLY 43 N -1.57 3.04 0.27 2.83 0.00 -1.26 -4.52 105.19 103.98 1ujo n GLY 43 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 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 0.48 -0.57 1.61 2.07 -1.88 0.96 116.25 118.93 1ujo h VAL 44 Ca 0.00 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.39 1ujo h VAL 44 Cb 0.00 0.23 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 1ujo h VAL 44 CO 0.00 0.04 0.18 0.40 0.02 0.00 0.00 177.57 178.22 1ujo h ILE 45 N 0.24 1.24 -0.46 4.57 2.04 -1.90 0.29 117.51 123.52 1ujo h ILE 45 Ca 0.41 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1ujo h ILE 45 Cb 0.72 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 1ujo h ILE 45 CO -0.53 0.30 0.28 -0.07 0.00 0.00 0.00 178.15 178.12 1ujo h LEU 46 N 0.80 0.55 -0.74 1.44 3.38 -0.66 0.26 115.31 120.33 1ujo h LEU 46 Ca 0.18 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1ujo h LEU 46 Cb 0.27 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1ujo h LEU 46 CO -0.01 0.44 0.08 0.77 0.09 0.00 0.00 178.44 179.82 1ujo h SER 47 N 0.61 1.00 -0.64 -0.43 4.64 0.11 -2.46 113.55 116.38 1ujo h SER 47 Ca 0.16 -0.24 -0.06 0.00 -0.47 0.00 0.00 61.79 61.18 1ujo h SER 47 Cb -0.01 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.79 1ujo h SER 47 CO -0.03 1.00 0.17 0.11 -0.87 0.00 0.00 176.83 177.21 1ujo h LYS 48 N 0.97 1.04 0.00 4.77 1.57 0.18 -1.24 116.57 123.86 1ujo h LYS 48 Ca 0.19 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1ujo h LYS 48 Cb 0.45 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1ujo h LYS 48 CO 0.01 0.92 0.00 -0.11 -0.57 0.00 0.00 179.45 179.70 1ujo n LEU 49 N -4.24 0.00 -0.37 2.94 7.94 0.85 0.50 117.00 124.62 1ujo n LEU 49 Ca 0.05 0.84 0.28 0.00 -1.11 0.00 0.00 56.01 56.07 1ujo n LEU 49 Cb 0.25 -0.34 0.55 0.00 0.53 0.00 0.00 43.42 44.41 1ujo n LEU 49 CO 0.42 -0.34 1.20 1.62 -1.11 0.00 0.00 177.39 179.18 1ujo h VAL 50 N 0.00 0.33 0.57 1.96 3.04 -1.52 0.35 116.25 120.98 1ujo h VAL 50 Ca 0.00 -0.09 -0.02 0.00 -1.01 0.00 0.00 66.70 65.57 1ujo h VAL 50 Cb 0.00 0.04 -0.00 0.00 -2.01 0.00 0.00 31.29 29.31 1ujo h VAL 50 CO 0.00 0.05 -0.33 0.78 -1.01 0.00 0.00 177.57 177.06 1ujo h ASN 51 N 0.27 -0.82 -0.81 3.17 2.35 -0.49 -2.16 115.58 117.09 1ujo h ASN 51 Ca 0.71 0.04 0.20 0.00 -0.55 0.00 0.00 56.30 56.70 1ujo h ASN 51 Cb 1.92 0.24 -0.14 0.00 0.05 0.00 0.00 38.32 40.39 1ujo h ASN 51 CO -0.41 -0.53 0.11 0.77 -1.65 0.00 0.00 177.43 175.73 1ujo h SER 52 N -0.84 -0.18 0.00 5.81 4.64 0.42 -2.77 113.55 120.63 1ujo h SER 52 Ca -0.07 0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1ujo h SER 52 Cb 0.68 0.31 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1ujo h SER 52 CO 0.08 -0.16 0.00 0.18 -0.87 0.00 0.00 176.83 176.06 1ujo n LEU 53 N -5.29 0.00 -3.30 5.97 4.77 -0.81 -4.72 117.00 113.62 1ujo n LEU 53 Ca 0.17 0.50 -0.30 0.00 -0.03 0.00 0.00 56.01 56.35 1ujo n LEU 53 Cb 0.57 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.66 1ujo n LEU 53 CO 0.06 0.00 -0.52 -1.22 -1.33 0.00 0.00 177.39 174.37 1ujo n TYR 54 N -0.65 -2.33 -1.69 -1.77 4.01 -0.86 -4.75 117.16 109.13 1ujo n TYR 54 Ca 0.00 0.34 -0.31 0.00 -0.16 0.00 0.00 57.90 57.77 1ujo n TYR 54 Cb 0.00 -1.31 0.04 0.00 -0.31 0.00 0.00 39.34 37.76 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 -0.81 3.04 0.70 -0.72 0.04 -1.26 -4.88 135.00 131.11 1ujo s PRO 55 Ca 0.44 1.01 -0.16 0.00 0.04 0.00 0.00 61.00 62.33 1ujo s PRO 55 Cb -0.38 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.14 1ujo s PRO 55 CO 0.52 -1.02 0.81 0.39 0.04 0.00 0.00 177.00 177.74 1ujo n GLU 56 N -2.86 0.48 0.00 4.56 1.02 -1.26 -2.29 120.64 120.29 1ujo n GLU 56 Ca 0.08 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 1ujo n GLU 56 Cb 0.53 -2.07 0.00 0.00 -0.02 0.00 0.00 31.44 29.88 1ujo n GLU 56 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ujo n GLY 57 N 1.31 1.75 0.00 0.62 0.00 -1.26 -4.78 105.19 102.84 1ujo n GLY 57 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 2.18 0.00 -3.12 1.61 2.88 -0.97 -4.94 113.62 111.26 1ujo n SER 58 Ca 0.00 0.74 -0.00 0.00 -1.33 0.00 0.00 58.87 58.27 1ujo n SER 58 Cb 0.00 -0.24 -0.00 0.00 -0.75 0.00 0.00 64.21 63.22 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 -1.36 -0.79 -0.02 -1.46 4.01 -1.25 -4.90 118.16 112.38 1ujo n LYS 59 Ca 0.00 1.09 -0.15 0.00 -0.51 0.00 0.00 58.31 58.73 1ujo n LYS 59 Cb 0.00 -1.59 -0.11 0.00 -0.51 0.00 0.00 35.03 32.82 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 3.61 0.24 -7.02 1.97 0.13 -1.94 -3.45 132.00 125.54 1ujo h PRO 60 Ca -0.01 -0.23 -0.47 0.00 -0.87 0.00 0.00 66.00 64.42 1ujo h PRO 60 Cb 0.81 0.06 0.05 0.00 0.13 0.00 0.00 31.00 32.05 1ujo h PRO 60 CO 0.01 0.93 0.12 0.08 -0.23 0.00 0.00 178.00 178.91 1ujo s VAL 61 N -3.31 3.81 -0.22 1.56 1.01 -1.26 -5.08 120.40 116.92 1ujo s VAL 61 Ca -0.15 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1ujo s VAL 61 Cb 0.02 -3.49 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1ujo s VAL 61 CO 0.76 -0.47 -0.12 -0.54 0.00 0.00 0.00 175.10 174.72 1ujo s LYS 62 N -4.89 2.76 -0.42 2.72 3.01 -1.26 -5.05 119.74 116.60 1ujo s LYS 62 Ca 0.52 -1.00 -0.16 0.00 -1.01 0.00 0.00 55.97 54.33 1ujo s LYS 62 Cb -0.10 -2.81 0.03 0.00 -1.01 0.00 0.00 37.83 33.94 1ujo s LYS 62 CO 0.44 -0.36 0.34 0.08 0.51 0.00 0.00 175.35 176.36 1ujo s VAL 63 N 1.26 5.22 0.57 3.17 1.01 -1.26 -5.06 120.40 125.31 1ujo s VAL 63 Ca -0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 1ujo s VAL 63 Cb -0.16 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1ujo s VAL 63 CO -0.08 -0.38 1.05 -2.16 0.00 0.00 0.00 175.10 173.53 1ujo s PRO 64 N 1.76 3.45 0.10 2.72 0.04 -1.26 -4.97 135.00 136.83 1ujo s PRO 64 Ca 0.06 1.20 -0.27 0.00 0.04 0.00 0.00 61.00 62.03 1ujo s PRO 64 Cb -0.20 -2.05 -0.10 0.00 0.04 0.00 0.00 34.50 32.20 1ujo s PRO 64 CO 0.10 -0.71 1.44 0.93 0.04 0.00 0.00 177.00 178.80 1ujo h GLU 65 N 0.63 -0.39 -5.65 4.56 5.08 -2.07 -3.40 114.58 113.35 1ujo h GLU 65 Ca -0.47 0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.25 1ujo h GLU 65 Cb 1.22 0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.47 1ujo h GLU 65 CO 0.58 -0.26 -0.50 -0.80 -1.00 0.00 0.00 179.01 177.03 1ujo s ASN 66 N -4.46 6.23 0.45 1.42 0.01 -1.26 -5.09 114.94 112.25 1ujo s ASN 66 Ca -0.12 0.41 -0.22 0.00 -0.71 0.00 0.00 52.86 52.22 1ujo s ASN 66 Cb 0.06 -2.00 -0.09 0.00 0.41 0.00 0.00 41.25 39.63 1ujo s ASN 66 CO 0.48 0.39 1.04 -2.16 -1.51 0.00 0.00 177.10 175.35 1ujo s PRO 67 N -0.90 3.95 0.00 -0.60 0.04 -1.26 -5.06 135.00 131.17 1ujo s PRO 67 Ca 0.14 1.42 0.00 0.00 0.04 0.00 0.00 61.00 62.61 1ujo s PRO 67 Cb -0.12 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 32.15 1ujo s PRO 67 CO 0.03 -0.32 0.00 -0.35 0.04 0.00 0.00 177.00 176.41 1ujo n PRO 68 N -0.61 0.57 0.03 0.56 -0.04 -1.26 -5.05 135.00 129.20 1ujo n PRO 68 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1ujo n PRO 68 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.85 -0.47 -4.52 3.54 2.88 -1.26 -4.87 113.62 108.06 1ujo n SER 69 Ca 0.00 0.11 -0.48 0.00 -1.33 0.00 0.00 58.87 57.17 1ujo n SER 69 Cb 0.00 0.78 -0.03 0.00 -0.75 0.00 0.00 64.21 64.21 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 -2.63 0.80 -0.00 -1.46 2.81 -1.26 -4.30 117.12 111.08 1ujo n MET 70 Ca 0.00 0.28 -0.00 0.00 -1.81 0.00 0.00 57.70 56.17 1ujo n MET 70 Cb 0.00 -1.60 -0.00 0.00 -0.71 0.00 0.00 33.22 30.91 1ujo n MET 70 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 1ujo h VAL 71 N 1.99 0.00 -0.04 2.03 3.04 -1.99 2.13 116.25 123.41 1ujo h VAL 71 Ca -0.38 0.00 0.01 0.00 -1.01 0.00 0.00 66.70 65.32 1ujo h VAL 71 Cb 1.38 0.00 -0.00 0.00 -2.01 0.00 0.00 31.29 30.65 1ujo h VAL 71 CO 0.63 0.00 0.41 -0.26 -1.01 0.00 0.00 177.57 177.34 1ujo h PHE 72 N -0.00 0.00 0.00 3.17 -1.00 -1.98 0.89 116.94 118.02 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 0.01 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.57 1ujo h PHE 72 CO -0.61 0.00 -0.02 0.87 -1.61 0.00 0.00 178.31 176.94 1ujo h LYS 73 N 0.00 0.00 -0.73 1.51 1.79 -0.01 -3.23 116.57 115.89 1ujo h LYS 73 Ca 0.02 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.60 1ujo h LYS 73 Cb 0.85 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 31.42 1ujo h LYS 73 CO -0.00 0.00 0.34 1.96 -1.08 0.00 0.00 179.45 180.67 1ujo h GLN 74 N -0.14 0.53 -0.83 3.15 1.08 0.37 -0.66 115.11 118.61 1ujo h GLN 74 Ca 0.00 -0.03 0.19 0.00 -1.45 0.00 0.00 58.65 57.36 1ujo h GLN 74 Cb 0.02 -0.12 -0.12 0.00 -0.05 0.00 0.00 27.48 27.21 1ujo h GLN 74 CO 0.00 0.35 0.31 0.52 -0.95 0.00 0.00 178.83 179.07 1ujo h MET 75 N 0.55 0.36 -0.43 1.46 2.86 0.64 0.11 114.93 120.49 1ujo h MET 75 Ca 0.37 -0.02 0.02 0.00 -2.06 0.00 0.00 59.70 58.01 1ujo h MET 75 Cb 0.46 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.01 1ujo h MET 75 CO -0.31 0.24 0.25 0.93 1.06 0.00 0.00 176.91 179.07 1ujo h GLU 76 N 0.37 0.48 -0.77 1.72 5.08 -1.14 0.18 114.58 120.51 1ujo h GLU 76 Ca 0.49 -0.03 0.18 0.00 -1.00 0.00 0.00 59.36 59.00 1ujo h GLU 76 Cb 0.87 -0.11 -0.13 0.00 0.50 0.00 0.00 28.75 29.88 1ujo h GLU 76 CO -0.50 0.32 0.05 0.37 -1.00 0.00 0.00 179.01 178.25 1ujo h GLN 77 N 0.50 0.13 -0.12 2.33 5.75 -0.58 0.46 115.11 123.57 1ujo h GLN 77 Ca 0.17 -0.01 -0.13 0.00 -0.15 0.00 0.00 58.65 58.54 1ujo h GLN 77 Cb 0.03 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1ujo h GLN 77 CO -0.09 0.09 -0.44 0.28 -2.65 0.00 0.00 178.83 176.02 1ujo h VAL 78 N 0.13 1.36 -0.65 2.39 2.07 -1.13 -3.12 116.25 117.31 1ujo h VAL 78 Ca 0.43 -1.74 0.14 0.00 0.82 0.00 0.00 66.70 66.35 1ujo h VAL 78 Cb 0.78 2.12 -0.11 0.00 -1.52 0.00 0.00 31.29 32.56 1ujo h VAL 78 CO -0.65 0.52 0.01 0.00 0.02 0.00 0.00 177.57 177.47 1ujo h ALA 79 N 0.50 0.66 -0.69 1.67 0.00 0.20 1.48 119.26 123.08 1ujo h ALA 79 Ca -0.02 0.20 0.09 0.00 0.00 0.00 0.00 54.91 55.18 1ujo h ALA 79 Cb 1.07 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 1ujo h ALA 79 CO 0.09 -0.39 0.33 1.96 0.00 0.00 0.00 179.25 181.23 1ujo h GLN 80 N 0.12 0.54 -0.15 0.00 4.20 -0.22 0.90 115.11 120.50 1ujo h GLN 80 Ca 0.34 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.85 1ujo h GLN 80 Cb 0.57 -0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.23 1ujo h GLN 80 CO -0.56 0.36 -0.58 0.35 -0.67 0.00 0.00 178.83 177.73 1ujo h PHE 81 N 0.56 0.87 0.07 2.96 3.57 -0.43 -1.78 116.94 122.76 1ujo h PHE 81 Ca 0.34 -0.37 0.02 0.00 3.53 0.00 0.00 57.97 61.50 1ujo h PHE 81 Cb 0.38 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 1ujo h PHE 81 CO -0.12 1.16 -0.35 -0.07 -2.23 0.00 0.00 178.31 176.70 1ujo h LEU 82 N 0.32 -1.04 -0.98 0.59 3.38 0.26 1.52 115.31 119.36 1ujo h LEU 82 Ca -0.03 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1ujo h LEU 82 Cb 1.21 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 42.31 1ujo h LEU 82 CO 0.12 -0.43 0.65 0.11 0.09 0.00 0.00 178.44 178.98 1ujo h LYS 83 N -0.55 1.26 -0.61 1.13 1.57 -0.91 -1.16 116.57 117.29 1ujo h LYS 83 Ca 0.04 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1ujo h LYS 83 Cb 0.61 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1ujo h LYS 83 CO -0.24 0.84 0.30 0.00 -0.57 0.00 0.00 179.45 179.78 1ujo h ALA 84 N 1.37 0.79 -0.97 3.86 0.00 -0.27 -1.91 119.26 122.13 1ujo h ALA 84 Ca 0.37 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1ujo h ALA 84 Cb -0.10 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.38 1ujo h ALA 84 CO -0.09 0.35 0.63 0.00 0.00 0.00 0.00 179.25 180.14 1ujo h ALA 85 N 1.13 1.32 0.80 0.00 0.00 0.31 -2.17 119.26 120.65 1ujo h ALA 85 Ca 0.21 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1ujo h ALA 85 Cb 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.59 1ujo h ALA 85 CO -0.03 0.46 -0.44 1.49 0.00 0.00 0.00 179.25 180.73 1ujo h GLU 86 N 1.18 -1.11 -0.91 0.00 4.22 -0.52 -2.48 114.58 114.95 1ujo h GLU 86 Ca 0.41 0.08 0.26 0.00 0.08 0.00 0.00 59.36 60.18 1ujo h GLU 86 Cb 0.09 0.25 -0.16 0.00 0.50 0.00 0.00 28.75 29.44 1ujo h GLU 86 CO -0.15 -0.74 0.20 -0.44 -2.18 0.00 0.00 179.01 175.70 1ujo h ASP 87 N -1.15 -0.11 -1.06 1.04 5.19 -1.04 1.03 116.42 120.32 1ujo h ASP 87 Ca -0.11 0.22 0.33 0.00 -0.62 0.00 0.00 57.03 56.86 1ujo h ASP 87 Cb 0.91 0.33 -0.14 0.00 0.18 0.00 0.00 39.33 40.61 1ujo h ASP 87 CO 0.14 -0.23 0.63 0.22 -3.12 0.00 0.00 179.24 176.88 1ujo h TYR 88 N 0.13 0.83 0.00 4.55 3.20 -0.92 -3.43 116.97 121.32 1ujo h TYR 88 Ca 0.59 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.49 1ujo h TYR 88 Cb 1.23 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1ujo h TYR 88 CO -0.31 -0.14 0.00 0.41 -1.64 0.00 0.00 178.16 176.48 1ujo n GLY 89 N -1.36 0.57 3.36 1.82 0.00 0.35 -5.08 105.19 104.86 1ujo n GLY 89 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.97 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 1.21 -2.94 1.61 0.31 -0.96 -4.99 118.33 112.57 1ujo n VAL 90 Ca 0.00 -0.45 -0.03 0.00 -0.01 0.00 0.00 64.34 63.85 1ujo n VAL 90 Cb 0.00 -0.47 0.01 0.00 -0.91 0.00 0.00 33.84 32.47 1ujo n VAL 90 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1ujo n ILE 91 N -2.10 0.00 -0.02 2.52 -5.35 -1.26 -4.67 119.36 108.47 1ujo n ILE 91 Ca 0.08 -0.29 0.10 0.00 -0.27 0.00 0.00 62.75 62.38 1ujo n ILE 91 Cb 0.50 -0.96 0.23 0.00 -1.74 0.00 0.00 39.64 37.67 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 -1.20 2.53 0.00 6.28 4.01 -1.26 -3.75 118.16 124.78 1ujo n LYS 92 Ca 0.02 -2.32 0.06 0.00 -0.51 0.00 0.00 58.31 55.57 1ujo n LYS 92 Cb 0.09 -1.47 -0.06 0.00 -0.51 0.00 0.00 35.03 33.08 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 1.33 0.00 0.37 -0.18 -2.24 -1.26 -4.36 114.28 107.93 1ujo n THR 93 Ca 0.19 -0.23 0.04 0.00 -2.27 0.00 0.00 64.05 61.78 1ujo n THR 93 Cb 0.56 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.10 0.52 -4.89 3.42 5.68 -1.26 -5.01 116.55 113.90 1ujo n ASP 94 Ca 0.03 -0.66 -0.29 0.00 -0.50 0.00 0.00 54.79 53.37 1ujo n ASP 94 Cb 0.21 1.02 0.03 0.00 -1.14 0.00 0.00 41.12 41.24 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 -1.82 3.18 0.35 0.11 -1.94 -1.25 -1.77 119.30 116.17 1ujo s MET 95 Ca 0.03 0.40 0.02 0.00 -1.71 0.00 0.00 55.69 54.43 1ujo s MET 95 Cb 0.06 -2.14 -0.01 0.00 2.01 0.00 0.00 34.83 34.75 1ujo s MET 95 CO 0.34 -0.71 0.08 1.97 -0.01 0.00 0.00 175.02 176.68 1ujo n PHE 96 N -2.73 0.38 -4.03 -0.03 1.16 -1.26 -4.91 117.46 106.04 1ujo n PHE 96 Ca 0.05 -2.03 -0.35 0.00 -1.87 0.00 0.00 57.45 53.25 1ujo n PHE 96 Cb 0.56 -0.09 -0.09 0.00 -1.61 0.00 0.00 39.48 38.25 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 -3.30 3.68 0.46 3.97 -0.21 -1.26 -4.97 119.66 118.03 1ujo s GLN 97 Ca 0.11 -0.30 0.33 0.00 0.02 0.00 0.00 55.36 55.52 1ujo s GLN 97 Cb 0.01 -3.14 1.47 0.00 1.00 0.00 0.00 33.01 32.35 1ujo s GLN 97 CO 0.08 0.48 1.62 1.15 -2.12 0.00 0.00 175.29 176.49 1ujo h THR 98 N 4.51 0.11 -0.13 -0.19 2.02 -1.99 1.45 112.91 118.70 1ujo h THR 98 Ca -0.44 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1ujo h THR 98 Cb 1.18 0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1ujo h THR 98 CO 0.65 0.01 -0.05 -0.37 0.37 0.00 0.00 175.52 176.13 1ujo h VAL 99 N 0.07 1.31 -0.56 3.16 -1.51 -1.95 1.48 116.25 118.24 1ujo h VAL 99 Ca 0.83 -1.06 0.16 0.00 -1.23 0.00 0.00 66.70 65.40 1ujo h VAL 99 Cb 2.73 1.75 -0.02 0.00 -2.13 0.00 0.00 31.29 33.61 1ujo h VAL 99 CO -0.36 0.31 0.68 0.44 -1.23 0.00 0.00 177.57 177.40 1ujo h ASP 100 N -0.07 0.00 0.00 4.19 3.32 0.17 1.20 116.42 125.22 1ujo h ASP 100 Ca 0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1ujo h ASP 100 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1ujo h ASP 100 CO 0.02 0.00 -0.61 -0.11 -1.72 0.00 0.00 179.24 176.82 1ujo n LEU 101 N -3.48 1.22 0.03 1.55 7.94 -0.93 -1.57 117.00 121.77 1ujo n LEU 101 Ca 0.11 0.21 -0.12 0.00 -1.11 0.00 0.00 56.01 55.10 1ujo n LEU 101 Cb 0.88 -0.63 -0.05 0.00 0.53 0.00 0.00 43.42 44.15 1ujo n LEU 101 CO 0.25 -0.37 0.62 0.22 -1.11 0.00 0.00 177.39 177.00 1ujo h TYR 102 N -0.61 -1.02 0.00 1.96 3.20 0.24 0.12 116.97 120.86 1ujo h TYR 102 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1ujo h TYR 102 Cb 0.61 0.46 0.00 0.00 1.54 0.00 0.00 36.73 39.34 1ujo h TYR 102 CO -0.26 -0.44 0.00 0.39 -1.64 0.00 0.00 178.16 176.21 1ujo n GLU 103 N -5.43 0.44 -3.73 1.82 -0.58 0.40 -4.90 120.64 108.66 1ujo n GLU 103 Ca -0.04 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.46 1ujo n GLU 103 Cb 0.35 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.76 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 1.23 -0.42 0.00 0.62 0.00 0.40 -4.93 105.19 102.09 1ujo n GLY 104 Ca 0.14 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1ujo n GLY 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ujo n LYS 105 N -4.54 0.00 -3.95 1.61 5.02 -0.61 -4.70 118.16 110.99 1ujo n LYS 105 Ca -0.12 0.38 -0.34 0.00 -2.02 0.00 0.00 58.31 56.21 1ujo n LYS 105 Cb 0.60 -1.16 -0.14 0.00 -0.02 0.00 0.00 35.03 34.31 1ujo n LYS 105 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ujo s ASP 106 N -2.24 4.62 0.11 4.39 1.11 -1.17 -4.96 116.67 118.54 1ujo s ASP 106 Ca 0.00 -1.14 0.11 0.00 0.18 0.00 0.00 52.55 51.70 1ujo s ASP 106 Cb 0.00 -1.67 -0.15 0.00 1.07 0.00 0.00 42.92 42.17 1ujo s ASP 106 CO 0.00 -0.20 1.14 0.24 1.18 0.00 0.00 175.17 177.52 1ujo h MET 107 N 7.98 0.00 -0.77 8.23 2.86 -1.84 -3.08 114.93 128.30 1ujo h MET 107 Ca -0.25 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.45 1ujo h MET 107 Cb 1.08 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.68 1ujo h MET 107 CO 0.54 0.71 0.46 0.00 1.06 0.00 0.00 176.91 179.68 1ujo h ALA 108 N 1.16 1.06 0.13 6.32 0.00 -1.94 -1.70 119.26 124.28 1ujo h ALA 108 Ca -0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1ujo h ALA 108 Cb 1.72 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.33 1ujo h ALA 108 CO 0.10 0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.45 1ujo h ALA 109 N 1.38 -0.17 -1.79 0.00 0.00 -1.97 -2.02 119.26 114.69 1ujo h ALA 109 Ca 0.34 -0.23 0.52 0.00 0.00 0.00 0.00 54.91 55.54 1ujo h ALA 109 Cb 0.19 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1ujo h ALA 109 CO -0.18 -0.32 1.29 0.28 0.00 0.00 0.00 179.25 180.31 1ujo h VAL 110 N -0.71 0.09 0.00 0.00 2.07 -1.37 0.76 116.25 117.10 1ujo h VAL 110 Ca -0.02 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1ujo h VAL 110 Cb 0.52 0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1ujo h VAL 110 CO 0.03 0.00 -0.17 1.56 0.02 0.00 0.00 177.57 179.01 1ujo h GLN 111 N 0.00 0.00 -1.69 1.57 4.20 -1.13 -3.29 115.11 114.77 1ujo h GLN 111 Ca 0.86 0.00 0.51 0.00 0.06 0.00 0.00 58.65 60.08 1ujo h GLN 111 Cb 3.43 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 31.12 1ujo h GLN 111 CO -0.03 0.85 1.18 -0.09 -0.67 0.00 0.00 178.83 180.08 1ujo h ARG 112 N -1.00 0.02 0.00 1.46 2.43 0.13 0.59 114.38 118.01 1ujo h ARG 112 Ca -0.04 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1ujo h ARG 112 Cb 0.90 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 1ujo h ARG 112 CO -0.03 0.01 0.00 2.41 -1.51 0.00 0.00 179.97 180.86 1ujo n THR 113 N -4.19 0.00 -0.31 0.20 -1.04 -0.70 -2.80 114.28 105.45 1ujo n THR 113 Ca 0.40 1.08 0.04 0.00 -2.04 0.00 0.00 64.05 63.53 1ujo n THR 113 Cb 1.76 -2.08 0.11 0.00 -1.82 0.00 0.00 70.33 68.30 1ujo n THR 113 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1ujo h LEU 114 N 0.00 -0.81 -0.97 -4.42 3.38 -1.15 1.00 115.31 112.34 1ujo h LEU 114 Ca 0.00 0.26 0.30 0.00 0.09 0.00 0.00 57.88 58.53 1ujo h LEU 114 Cb 0.00 0.54 -0.15 0.00 0.09 0.00 0.00 40.66 41.14 1ujo h LEU 114 CO 0.00 -0.29 0.46 0.24 0.09 0.00 0.00 178.44 178.94 1ujo h MET 115 N -0.00 0.25 0.49 1.13 2.86 -1.03 0.23 114.93 118.85 1ujo h MET 115 Ca 0.41 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 58.02 1ujo h MET 115 Cb 0.63 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.24 1ujo h MET 115 CO -0.89 0.17 -0.23 0.00 1.06 0.00 0.00 176.91 177.01 1ujo h ALA 116 N 1.85 -0.65 -0.99 6.32 0.00 0.12 -2.44 119.26 123.47 1ujo h ALA 116 Ca 0.69 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.59 1ujo h ALA 116 Cb 1.55 0.25 -0.15 0.00 0.00 0.00 0.00 17.79 19.44 1ujo h ALA 116 CO -0.64 -0.61 -0.45 1.25 0.00 0.00 0.00 179.25 178.79 1ujo h LEU 117 N -1.17 -1.66 0.02 0.00 5.85 -0.11 1.05 115.31 119.28 1ujo h LEU 117 Ca -0.07 0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1ujo h LEU 117 Cb 0.51 0.82 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1ujo h LEU 117 CO 0.11 -0.27 -0.15 1.23 -0.34 0.00 0.00 178.44 179.02 1ujo h GLY 118 N -0.01 -1.25 -0.20 3.75 0.00 -0.69 0.91 103.07 105.59 1ujo h GLY 118 Ca 0.29 0.58 0.24 0.00 0.00 0.00 0.00 47.33 48.43 1ujo h GLY 118 CO -0.97 -0.42 0.48 0.23 0.00 0.00 0.00 176.54 175.86 1ujo h SER 119 N -0.21 0.47 -0.35 0.19 0.87 -0.68 1.49 113.55 115.33 1ujo h SER 119 Ca 0.00 0.15 0.04 0.00 -1.23 0.00 0.00 61.79 60.75 1ujo h SER 119 Cb 0.21 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 1ujo h SER 119 CO -0.09 0.03 0.23 -0.07 -0.53 0.00 0.00 176.83 176.41 1ujo h LEU 120 N 0.47 0.25 0.02 2.23 3.38 0.21 0.45 115.31 122.30 1ujo h LEU 120 Ca 0.60 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.33 1ujo h LEU 120 Cb 1.16 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1ujo h LEU 120 CO -0.51 0.17 -1.19 0.00 0.09 0.00 0.00 178.44 176.99 1ujo h ALA 121 N 1.81 0.42 0.02 1.53 0.00 0.43 -3.24 119.26 120.23 1ujo h ALA 121 Ca 0.15 -1.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.02 1ujo h ALA 121 Cb 0.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ujo h ALA 121 CO -0.03 1.30 -0.01 0.28 0.00 0.00 0.00 179.25 180.78 1ujo h VAL 122 N 0.01 1.27 -0.72 0.00 2.07 0.19 -1.81 116.25 117.27 1ujo h VAL 122 Ca -0.09 -0.93 0.16 0.00 0.82 0.00 0.00 66.70 66.66 1ujo h VAL 122 Cb 1.85 1.90 -0.12 0.00 -1.52 0.00 0.00 31.29 33.40 1ujo h VAL 122 CO 0.13 0.24 0.07 0.74 0.02 0.00 0.00 177.57 178.77 1ujo h THR 123 N -0.43 0.44 0.31 2.57 2.02 -0.34 -2.43 112.91 115.04 1ujo h THR 123 Ca -0.00 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 1ujo h THR 123 Cb 0.41 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 1ujo h THR 123 CO 0.01 0.03 -0.15 0.11 0.37 0.00 0.00 175.52 175.89 1ujo h LYS 124 N 0.17 -0.40 -5.52 6.66 1.57 -1.56 -3.48 116.57 114.00 1ujo h LYS 124 Ca 0.40 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1ujo h LYS 124 Cb 0.68 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 1ujo h LYS 124 CO -0.58 -0.26 -1.02 -1.71 -0.57 0.00 0.00 179.45 175.32 1ujo n ASN 125 N -3.16 -5.57 0.02 0.86 5.15 -0.69 -4.98 115.26 106.88 1ujo n ASN 125 Ca -0.05 1.13 0.00 0.00 -0.60 0.00 0.00 54.58 55.06 1ujo n ASN 125 Cb 0.16 -3.95 0.00 0.00 -0.53 0.00 0.00 39.78 35.46 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 1.39 -0.17 0.00 1.20 -0.08 -1.26 -5.05 116.55 112.59 1ujo n ASP 126 Ca -0.12 0.06 0.00 0.00 -1.51 0.00 0.00 54.79 53.22 1ujo n ASP 126 Cb 0.29 0.37 0.00 0.00 2.34 0.00 0.00 41.12 44.12 1ujo n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1ujo n GLY 127 N 0.15 -0.47 1.35 0.27 0.00 -1.26 -5.05 105.19 100.18 1ujo n GLY 127 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.03 -4.59 1.61 5.03 -1.26 -5.00 115.26 111.08 1ujo n ASN 128 Ca 0.00 0.01 -0.42 0.00 0.87 0.00 0.00 54.58 55.04 1ujo n ASN 128 Cb 0.00 -0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 38.73 1ujo n ASN 128 CO 0.00 0.00 0.00 -0.47 -1.83 0.00 0.00 177.26 174.96 1ujo s TYR 129 N -2.00 2.12 0.13 3.10 6.14 -1.26 -4.57 117.35 121.01 1ujo s TYR 129 Ca 0.00 0.63 -0.15 0.00 0.64 0.00 0.00 57.07 58.20 1ujo s TYR 129 Cb 0.00 -4.25 -0.00 0.00 0.42 0.00 0.00 41.96 38.13 1ujo s TYR 129 CO 0.00 -2.32 1.62 0.00 0.64 0.00 0.00 175.55 175.49 1ujo h ARG 130 N 11.88 0.70 0.00 4.97 2.47 -1.94 -3.44 114.38 129.01 1ujo h ARG 130 Ca -0.29 -0.18 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1ujo h ARG 130 Cb 1.13 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 29.36 1ujo h ARG 130 CO 1.10 0.73 0.00 0.41 0.56 0.00 0.00 179.97 182.77 1ujo n GLY 131 N -0.53 -2.65 3.85 0.04 0.00 -1.26 -5.00 105.19 99.64 1ujo n GLY 131 Ca -0.00 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.35 1ujo n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ujo s ASP 132 N -1.66 6.67 0.19 1.61 1.01 -1.26 -4.98 116.67 118.25 1ujo s ASP 132 Ca 0.00 1.33 0.04 0.00 0.71 0.00 0.00 52.55 54.63 1ujo s ASP 132 Cb 0.00 -2.40 0.07 0.00 1.01 0.00 0.00 42.92 41.61 1ujo s ASP 132 CO 0.00 -0.36 1.44 1.55 0.21 0.00 0.00 175.17 178.00 1ujo h PRO 133 N 1.60 0.18 -2.16 8.23 0.13 -1.94 -3.28 132.00 134.75 1ujo h PRO 133 Ca -0.48 -0.17 -0.36 0.00 -0.87 0.00 0.00 66.00 64.12 1ujo h PRO 133 Cb 1.18 0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.27 1ujo h PRO 133 CO 0.64 0.88 0.51 0.09 -0.23 0.00 0.00 178.00 179.89 1ujo n ASN 134 N -3.70 6.16 -0.03 1.44 3.02 -1.26 -3.67 115.26 117.21 1ujo n ASN 134 Ca -0.03 -2.71 -0.05 0.00 -0.03 0.00 0.00 54.58 51.76 1ujo n ASN 134 Cb 0.75 -1.39 -0.03 0.00 -0.61 0.00 0.00 39.78 38.50 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 2.20 0.00 -3.36 3.10 7.02 -1.24 -4.88 117.44 120.28 1ujo n TRP 135 Ca 0.50 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.72 1ujo n TRP 135 Cb 0.70 -0.27 -0.09 0.00 -2.42 0.00 0.00 31.31 29.23 1ujo n TRP 135 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 1ujo n PHE 136 N -2.73 -0.56 -3.34 -5.99 3.01 -1.24 -5.07 117.46 101.54 1ujo n PHE 136 Ca -0.12 -3.42 -0.40 0.00 1.01 0.00 0.00 57.45 54.52 1ujo n PHE 136 Cb 0.63 0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 40.07 1ujo n PHE 136 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1ujo s MET 137 N -0.37 3.93 0.03 -1.08 -1.94 -1.26 -3.63 119.30 114.98 1ujo s MET 137 Ca 0.33 0.03 -0.29 0.00 -1.71 0.00 0.00 55.69 54.06 1ujo s MET 137 Cb 0.07 -3.69 0.11 0.00 2.01 0.00 0.00 34.83 33.33 1ujo s MET 137 CO -0.17 -0.37 1.21 0.15 -0.01 0.00 0.00 175.02 175.83 1ujo s LYS 138 N 2.16 0.60 0.09 2.03 1.02 -1.26 -5.10 119.74 119.29 1ujo s LYS 138 Ca 0.17 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.82 1ujo s LYS 138 Cb -0.16 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1ujo s LYS 138 CO 0.10 -0.27 0.00 0.43 -0.92 0.00 0.00 175.35 174.69 1ujo n SER 139 N -0.50 -5.48 0.00 2.83 7.64 -1.26 -4.92 113.62 111.94 1ujo n SER 139 Ca -0.08 0.71 0.00 0.00 1.01 0.00 0.00 58.87 60.51 1ujo n SER 139 Cb 0.62 -3.02 0.00 0.00 -1.01 0.00 0.00 64.21 60.80 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 0.94 4.77 0.17 0.23 0.00 -1.26 -5.04 105.19 105.00 1ujo n GLY 140 Ca 0.00 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 1ujo n GLY 140 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujo h PRO 141 N 0.00 0.47 -5.87 1.61 0.13 -1.99 -3.49 132.00 122.85 1ujo h PRO 141 Ca 0.00 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ujo h PRO 141 Cb 0.00 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.23 1ujo h PRO 141 CO 0.00 1.10 -0.82 0.43 -0.23 0.00 0.00 178.00 178.48 1ujo n SER 142 N -3.79 -6.26 -2.91 1.44 7.64 -1.26 -4.38 113.62 104.10 1ujo n SER 142 Ca -0.06 0.90 -0.05 0.00 1.01 0.00 0.00 58.87 60.66 1ujo n SER 142 Cb 0.80 -2.87 0.01 0.00 -1.01 0.00 0.00 64.21 61.13 1ujo n SER 142 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1ujo n SER 143 N 1.57 -7.53 0.00 6.43 2.88 -1.26 -5.29 113.62 110.42 1ujo n SER 143 Ca -0.06 0.90 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 1ujo n SER 143 Cb 0.29 -4.32 0.00 0.00 -0.75 0.00 0.00 64.21 59.43 1ujo n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42