#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 2.92 0.44 1.61 0.15 -1.26 -5.11 113.70 112.45 1ujo s SER 2 Ca 0.00 -0.74 -0.22 0.00 0.70 0.00 0.00 55.95 55.69 1ujo s SER 2 Cb 0.00 -0.85 -0.11 0.00 -1.71 0.00 0.00 66.02 63.35 1ujo s SER 2 CO 0.00 -0.22 0.66 -0.24 1.20 0.00 0.00 173.24 174.64 1ujo n SER 3 N 4.90 -0.37 0.00 5.45 2.88 -1.26 -4.33 113.62 120.88 1ujo n SER 3 Ca -0.11 0.91 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1ujo n SER 3 Cb 0.47 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 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 1.64 1.19 3.92 0.46 0.00 -1.26 -5.12 105.19 106.01 1ujo n GLY 4 Ca 0.11 -0.12 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1ujo n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ujo s SER 5 N 0.00 5.09 0.23 1.61 0.01 -1.26 -4.88 113.70 114.50 1ujo s SER 5 Ca 0.00 0.65 0.00 0.00 1.31 0.00 0.00 55.95 57.91 1ujo s SER 5 Cb 0.00 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.83 1ujo s SER 5 CO 0.00 -1.45 0.00 -0.24 0.41 0.00 0.00 173.24 171.96 1ujo n SER 6 N -2.88 -7.88 0.00 2.44 2.88 -1.26 -5.04 113.62 101.88 1ujo n SER 6 Ca 0.07 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 1ujo n SER 6 Cb 0.59 -4.19 0.00 0.00 -0.75 0.00 0.00 64.21 59.86 1ujo n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ujo n GLY 7 N 1.08 0.36 3.86 0.46 0.00 -1.26 -4.91 105.19 104.78 1ujo n GLY 7 Ca 0.00 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 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 -3.79 3.62 0.06 1.61 0.41 -1.26 -4.96 118.70 114.39 1ujo s GLU 8 Ca 0.00 0.81 -0.34 0.00 -0.41 0.00 0.00 54.97 55.03 1ujo s GLU 8 Cb 0.00 -2.08 -0.19 0.00 -1.78 0.00 0.00 34.13 30.07 1ujo s GLU 8 CO 0.00 -0.55 1.57 1.49 -0.49 0.00 0.00 175.26 177.28 1ujo h GLU 9 N -0.09 -1.03 -0.45 1.61 4.22 -1.95 -2.51 114.58 114.38 1ujo h GLU 9 Ca -0.45 0.07 0.04 0.00 0.08 0.00 0.00 59.36 59.11 1ujo h GLU 9 Cb 1.19 0.23 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 1ujo h GLU 9 CO 0.62 -0.68 -0.34 1.25 -2.18 0.00 0.00 179.01 177.68 1ujo h LEU 10 N -1.09 -1.21 -0.94 1.64 6.46 -1.99 0.48 115.31 118.66 1ujo h LEU 10 Ca -0.11 0.17 0.12 0.00 -0.12 0.00 0.00 57.88 57.94 1ujo h LEU 10 Cb 0.82 0.52 -0.13 0.00 -0.73 0.00 0.00 40.66 41.14 1ujo h LEU 10 CO 0.18 -0.18 -0.45 1.21 -0.62 0.00 0.00 178.44 178.58 1ujo n GLU 11 N -4.31 -0.31 -0.31 1.25 2.13 -1.20 0.75 120.64 118.63 1ujo n GLU 11 Ca -0.00 1.43 0.02 0.00 0.66 0.00 0.00 57.16 59.27 1ujo n GLU 11 Cb 0.17 -2.11 0.09 0.00 0.27 0.00 0.00 31.44 29.86 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 -0.02 0.32 5.31 5.08 -0.46 0.38 114.58 125.18 1ujo h GLU 12 Ca 0.24 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1ujo h GLU 12 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1ujo h GLU 12 CO -0.91 -0.01 -0.15 0.00 -1.00 0.00 0.00 179.01 176.94 1ujo h ARG 13 N -0.02 -0.41 -0.89 2.33 3.08 0.10 -0.34 114.38 118.23 1ujo h ARG 13 Ca 0.38 0.03 0.13 0.00 0.07 0.00 0.00 59.98 60.59 1ujo h ARG 13 Cb 0.62 0.09 -0.14 0.00 0.08 0.00 0.00 29.97 30.62 1ujo h ARG 13 CO -0.89 -0.09 -0.42 -0.07 -1.07 0.00 0.00 179.97 177.42 1ujo h LEU 14 N -0.77 -1.54 0.09 3.04 3.38 0.16 0.39 115.31 120.07 1ujo h LEU 14 Ca -0.04 0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.22 1ujo h LEU 14 Cb 0.51 0.76 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 1ujo h LEU 14 CO 0.07 -0.29 -0.05 0.58 0.09 0.00 0.00 178.44 178.84 1ujo h VAL 15 N -0.05 0.89 -0.90 1.22 2.07 -0.31 -0.67 116.25 118.49 1ujo h VAL 15 Ca 0.28 0.00 0.26 0.00 0.82 0.00 0.00 66.70 68.06 1ujo h VAL 15 Cb 0.56 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 1ujo h VAL 15 CO -0.91 0.00 0.94 -0.33 0.02 0.00 0.00 177.57 177.29 1ujo h GLU 16 N -0.13 0.00 0.00 1.57 4.39 0.15 0.67 114.58 121.23 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 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1ujo h GLU 16 CO 0.01 0.00 -0.04 2.35 -1.16 0.00 0.00 179.01 180.17 1ujo h TRP 17 N 0.00 0.00 -1.51 4.33 7.01 0.47 -3.22 115.95 123.03 1ujo h TRP 17 Ca 0.43 0.00 0.44 0.00 2.11 0.00 0.00 58.89 61.87 1ujo h TRP 17 Cb 2.30 0.00 -0.06 0.00 -2.10 0.00 0.00 29.16 29.30 1ujo h TRP 17 CO 0.00 0.00 1.29 0.82 -2.79 0.00 0.00 178.44 177.76 1ujo h ILE 18 N -0.16 0.04 0.47 2.65 2.04 0.09 1.20 117.51 123.84 1ujo h ILE 18 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ujo h ILE 18 Cb 0.04 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1ujo h ILE 18 CO 0.00 0.00 -0.22 0.58 0.00 0.00 0.00 178.15 178.51 1ujo h VAL 19 N 0.00 0.44 -0.36 1.67 2.07 0.18 0.17 116.25 120.42 1ujo h VAL 19 Ca 0.72 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1ujo h VAL 19 Cb 3.28 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 33.64 1ujo h VAL 19 CO -0.01 0.06 0.23 -0.37 0.02 0.00 0.00 177.57 177.50 1ujo h VAL 20 N -0.92 1.11 0.00 2.57 -1.51 0.13 1.58 116.25 119.21 1ujo h VAL 20 Ca -0.06 -0.23 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 1ujo h VAL 20 Cb 0.58 0.62 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1ujo h VAL 20 CO 0.11 0.11 0.00 0.00 -1.23 0.00 0.00 177.57 176.55 1ujo n GLN 21 N -4.82 0.00 0.03 5.19 1.13 0.27 -3.18 117.38 116.01 1ujo n GLN 21 Ca -0.00 0.55 -0.10 0.00 -1.94 0.00 0.00 57.00 55.50 1ujo n GLN 21 Cb 0.04 -1.44 -0.04 0.00 0.11 0.00 0.00 30.24 28.92 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 -1.32 1.13 2.29 0.00 0.00 0.54 -4.74 105.19 103.09 1ujo n GLY 23 Ca -0.04 -2.20 -0.18 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.37 2.09 0.00 1.61 -0.04 -1.26 -3.27 135.00 133.76 1ujo n PRO 24 Ca 0.00 -1.22 0.00 0.00 -0.04 0.00 0.00 63.50 62.24 1ujo n PRO 24 Cb 0.00 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 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 3.23 1.08 0.09 3.54 8.00 -1.26 -4.77 116.55 126.46 1ujo n ASP 25 Ca 0.45 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.91 1ujo n ASP 25 Cb 0.45 0.00 0.17 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 1.35 0.00 2.53 -1.51 -1.88 -3.49 116.25 113.25 1ujo h VAL 26 Ca 0.00 -1.76 0.00 0.00 -1.23 0.00 0.00 66.70 63.71 1ujo h VAL 26 Cb 0.57 1.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1ujo h VAL 26 CO 0.00 0.52 0.00 0.61 -1.23 0.00 0.00 177.57 177.47 1ujo n GLY 27 N 0.04 0.83 3.17 5.19 0.00 -1.26 -4.98 105.19 108.18 1ujo n GLY 27 Ca -0.02 -1.38 -0.08 0.00 0.00 0.00 0.00 46.02 44.53 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 0.83 0.87 1.61 3.52 -1.26 -4.88 118.95 119.64 1ujo s ARG 28 Ca 0.00 -1.23 -0.12 0.00 -0.13 0.00 0.00 55.73 54.25 1ujo s ARG 28 Cb 0.00 0.27 0.11 0.00 -1.56 0.00 0.00 34.95 33.77 1ujo s ARG 28 CO 0.00 -0.23 1.12 -1.25 -0.81 0.00 0.00 175.30 174.13 1ujo s PRO 29 N -3.95 1.48 0.33 5.12 0.04 -1.26 -5.06 135.00 131.69 1ujo s PRO 29 Ca 0.13 0.41 0.03 0.00 0.04 0.00 0.00 61.00 61.62 1ujo s PRO 29 Cb 0.07 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.72 1ujo s PRO 29 CO -0.05 -1.99 0.50 -0.51 0.04 0.00 0.00 177.00 174.98 1ujo s ASP 30 N -3.99 6.15 1.23 6.66 1.01 -1.26 -4.91 116.67 121.57 1ujo s ASP 30 Ca 0.63 0.17 -0.15 0.00 0.71 0.00 0.00 52.55 53.91 1ujo s ASP 30 Cb -0.15 -1.73 0.23 0.00 1.01 0.00 0.00 42.92 42.29 1ujo s ASP 30 CO 0.54 -0.33 0.69 0.54 0.21 0.00 0.00 175.17 176.82 1ujo n ARG 31 N -1.69 -3.04 -0.97 8.23 1.74 -1.26 -3.54 116.66 116.13 1ujo n ARG 31 Ca -0.04 -1.12 0.00 0.00 -0.77 0.00 0.00 57.85 55.92 1ujo n ARG 31 Cb 0.57 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1ujo n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ujo n GLY 32 N -3.02 0.66 5.00 -0.13 0.00 -1.26 -3.52 105.19 102.92 1ujo n GLY 32 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.67 0.00 -0.38 1.61 1.74 -1.26 -4.41 116.66 111.29 1ujo n ARG 33 Ca 0.00 0.00 0.34 0.00 -0.77 0.00 0.00 57.85 57.42 1ujo n ARG 33 Cb 0.00 0.00 0.62 0.00 -1.02 0.00 0.00 32.46 32.06 1ujo n ARG 33 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ujo h LEU 34 N 0.00 0.29 -0.83 0.55 -0.00 -1.85 0.70 115.31 114.17 1ujo h LEU 34 Ca 0.00 0.22 0.17 0.00 -0.00 0.00 0.00 57.88 58.27 1ujo h LEU 34 Cb 0.00 0.22 -0.16 0.00 -0.00 0.00 0.00 40.66 40.72 1ujo h LEU 34 CO 0.00 -0.36 -0.21 1.23 -0.00 0.00 0.00 178.44 179.11 1ujo h GLY 35 N 0.02 0.61 -0.16 0.83 0.00 -1.60 0.68 103.07 103.45 1ujo h GLY 35 Ca 0.85 0.27 0.07 0.00 0.00 0.00 0.00 47.33 48.53 1ujo h GLY 35 CO -0.65 -0.32 -0.36 -2.75 0.00 0.00 0.00 176.54 172.46 1ujo h PHE 36 N 0.00 -1.01 -0.14 5.60 3.57 0.33 -1.93 116.94 123.37 1ujo h PHE 36 Ca 0.40 0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.97 1ujo h PHE 36 Cb 0.61 0.49 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1ujo h PHE 36 CO -0.65 -0.41 -0.10 0.37 -2.23 0.00 0.00 178.31 175.29 1ujo h GLN 37 N -0.30 -0.03 -0.99 1.11 -0.00 -0.95 0.46 115.11 114.41 1ujo h GLN 37 Ca 0.15 0.00 0.33 0.00 -0.00 0.00 0.00 58.65 59.14 1ujo h GLN 37 Cb 0.56 0.01 -0.18 0.00 0.00 0.00 0.00 27.48 27.86 1ujo h GLN 37 CO -0.52 -0.02 0.26 0.28 0.00 0.00 0.00 178.83 178.83 1ujo h VAL 38 N -0.03 0.03 -0.21 2.39 2.07 -1.29 1.75 116.25 120.96 1ujo h VAL 38 Ca 0.02 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.59 1ujo h VAL 38 Cb 0.09 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.80 1ujo h VAL 38 CO -0.14 0.00 -0.19 -0.25 0.02 0.00 0.00 177.57 177.01 1ujo h TRP 39 N 0.02 -0.48 -1.67 1.57 7.01 0.64 -1.57 115.95 121.47 1ujo h TRP 39 Ca 0.71 0.03 -0.70 0.00 2.11 0.00 0.00 58.89 61.04 1ujo h TRP 39 Cb 1.67 0.25 -0.32 0.00 -2.10 0.00 0.00 29.16 28.65 1ujo h TRP 39 CO -0.28 -0.26 0.50 1.28 -2.79 0.00 0.00 178.44 176.89 1ujo n LEU 40 N -5.34 6.73 -0.06 0.65 4.77 0.55 -4.60 117.00 119.70 1ujo n LEU 40 Ca -0.01 -4.85 -0.06 0.00 -0.03 0.00 0.00 56.01 51.06 1ujo n LEU 40 Cb 0.25 -0.87 -0.02 0.00 -2.33 0.00 0.00 43.42 40.46 1ujo n LEU 40 CO 0.18 1.85 -0.46 1.17 -1.33 0.00 0.00 177.39 178.80 1ujo n LYS 41 N -0.59 0.37 -0.09 3.23 4.81 0.16 -4.59 118.16 121.45 1ujo n LYS 41 Ca 0.51 0.17 -0.06 0.00 -0.87 0.00 0.00 58.31 58.07 1ujo n LYS 41 Cb 0.44 -1.18 0.01 0.00 0.02 0.00 0.00 35.03 34.31 1ujo n LYS 41 CO 0.00 0.00 0.00 -2.95 1.17 0.00 0.00 177.40 175.62 1ujo h ASN 42 N -0.71 -0.23 0.00 3.14 7.08 -1.81 -3.43 115.58 119.61 1ujo h ASN 42 Ca 0.00 0.09 0.00 0.00 -3.08 0.00 0.00 56.30 53.31 1ujo h ASN 42 Cb 0.68 0.18 0.00 0.00 -2.08 0.00 0.00 38.32 37.09 1ujo h ASN 42 CO 0.00 -0.08 0.00 0.61 -2.08 0.00 0.00 177.43 175.88 1ujo n GLY 43 N -1.26 2.31 0.45 9.14 0.00 -1.26 -3.52 105.19 111.06 1ujo n GLY 43 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 -0.47 1.61 2.07 -1.89 0.76 116.25 118.33 1ujo h VAL 44 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 1ujo h VAL 44 Cb 0.00 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.71 1ujo h VAL 44 CO 0.00 0.00 0.13 0.40 0.02 0.00 0.00 177.57 178.12 1ujo h ILE 45 N -0.47 0.79 -0.83 4.57 2.04 -1.94 0.10 117.51 121.78 1ujo h ILE 45 Ca 0.05 -0.10 0.15 0.00 1.00 0.00 0.00 64.86 65.96 1ujo h ILE 45 Cb 0.62 0.48 -0.09 0.00 -0.74 0.00 0.00 36.82 37.09 1ujo h ILE 45 CO -0.51 0.05 0.41 -0.07 0.00 0.00 0.00 178.15 178.03 1ujo h LEU 46 N 0.28 0.47 -0.89 1.44 3.38 -1.32 0.34 115.31 119.02 1ujo h LEU 46 Ca 0.23 0.10 -0.09 0.00 0.09 0.00 0.00 57.88 58.21 1ujo h LEU 46 Cb 0.27 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ujo h LEU 46 CO -0.27 0.19 -0.15 0.28 0.09 0.00 0.00 178.44 178.59 1ujo h SER 47 N 0.58 0.65 -0.28 -0.43 0.02 0.24 -2.25 113.55 112.09 1ujo h SER 47 Ca 0.45 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1ujo h SER 47 Cb 0.65 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 1ujo h SER 47 CO -0.37 0.82 0.07 0.11 -1.14 0.00 0.00 176.83 176.32 1ujo h LYS 48 N 0.60 0.53 0.00 3.45 1.57 0.19 -0.06 116.57 122.85 1ujo h LYS 48 Ca 0.10 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1ujo h LYS 48 Cb 0.59 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.81 1ujo h LYS 48 CO 0.04 0.50 0.00 -0.11 -0.57 0.00 0.00 179.45 179.31 1ujo n LEU 49 N -4.33 0.05 -0.29 2.94 7.94 0.04 -0.35 117.00 123.00 1ujo n LEU 49 Ca 0.02 0.86 0.06 0.00 -1.11 0.00 0.00 56.01 55.84 1ujo n LEU 49 Cb 0.20 -0.45 0.16 0.00 0.53 0.00 0.00 43.42 43.85 1ujo n LEU 49 CO 0.38 -0.45 0.77 1.62 -1.11 0.00 0.00 177.39 178.60 1ujo h VAL 50 N 0.00 0.21 0.01 1.96 3.04 -1.48 0.28 116.25 120.28 1ujo h VAL 50 Ca 0.00 -0.02 0.03 0.00 -1.01 0.00 0.00 66.70 65.71 1ujo h VAL 50 Cb 0.00 0.17 -0.05 0.00 -2.01 0.00 0.00 31.29 29.39 1ujo h VAL 50 CO 0.00 0.01 -0.36 0.78 -1.01 0.00 0.00 177.57 176.99 1ujo h ASN 51 N 0.04 -1.09 -0.86 3.17 2.35 -0.98 -1.14 115.58 117.07 1ujo h ASN 51 Ca 0.44 0.14 0.18 0.00 -0.55 0.00 0.00 56.30 56.51 1ujo h ASN 51 Cb 0.77 0.43 -0.16 0.00 0.05 0.00 0.00 38.32 39.41 1ujo h ASN 51 CO -0.79 -0.42 -0.17 0.77 -1.65 0.00 0.00 177.43 175.17 1ujo h SER 52 N -0.52 -0.72 0.00 5.81 4.64 0.25 -2.49 113.55 120.52 1ujo h SER 52 Ca 0.05 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1ujo h SER 52 Cb 0.60 0.51 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1ujo h SER 52 CO -0.29 -0.28 0.00 0.18 -0.87 0.00 0.00 176.83 175.58 1ujo n LEU 53 N -5.52 0.00 -3.42 5.97 4.77 -0.50 -4.70 117.00 113.59 1ujo n LEU 53 Ca 0.14 0.59 -0.35 0.00 -0.03 0.00 0.00 56.01 56.36 1ujo n LEU 53 Cb 0.47 -0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1ujo n LEU 53 CO -0.04 -0.09 -0.18 -1.22 -1.33 0.00 0.00 177.39 174.52 1ujo n TYR 54 N -0.95 -1.05 -1.54 -1.77 4.02 -0.78 -4.72 117.16 110.37 1ujo n TYR 54 Ca 0.00 0.62 -0.29 0.00 -0.01 0.00 0.00 57.90 58.22 1ujo n TYR 54 Cb 0.00 -1.47 0.12 0.00 -0.02 0.00 0.00 39.34 37.98 1ujo n TYR 54 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1ujo s PRO 55 N -0.79 1.39 0.36 -0.72 0.04 -1.26 -4.92 135.00 129.10 1ujo s PRO 55 Ca 0.48 0.38 -0.28 0.00 0.04 0.00 0.00 61.00 61.62 1ujo s PRO 55 Cb -0.61 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 1ujo s PRO 55 CO 0.47 -2.05 1.47 -1.91 0.04 0.00 0.00 177.00 175.02 1ujo n GLU 56 N -3.68 2.58 0.00 4.56 0.00 -1.26 -1.86 120.64 120.99 1ujo n GLU 56 Ca 0.07 0.91 0.00 0.00 0.00 0.00 0.00 57.16 58.13 1ujo n GLU 56 Cb 0.59 -2.62 0.00 0.00 0.00 0.00 0.00 31.44 29.41 1ujo n GLU 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1ujo n GLY 57 N 0.78 1.99 2.15 8.31 0.00 -1.26 -4.79 105.19 112.36 1ujo n GLY 57 Ca 0.03 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 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 1.45 6.27 -4.61 1.61 7.64 -0.77 -4.90 113.62 120.31 1ujo n SER 58 Ca 0.00 -3.03 -0.43 0.00 1.01 0.00 0.00 58.87 56.43 1ujo n SER 58 Cb 0.00 -1.18 -0.03 0.00 -1.01 0.00 0.00 64.21 61.99 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 -1.36 3.85 -0.06 1.43 3.01 -1.25 -4.46 119.74 120.89 1ujo s LYS 59 Ca 0.46 0.62 -0.10 0.00 -1.01 0.00 0.00 55.97 55.93 1ujo s LYS 59 Cb 0.30 -3.81 -0.06 0.00 -1.01 0.00 0.00 37.83 33.25 1ujo s LYS 59 CO -0.10 -0.98 0.42 -1.00 0.51 0.00 0.00 175.35 174.20 1ujo h PRO 60 N 8.50 -0.31 -6.67 -1.68 0.13 -1.94 -3.46 132.00 126.57 1ujo h PRO 60 Ca -0.23 0.02 -0.51 0.00 -0.87 0.00 0.00 66.00 64.42 1ujo h PRO 60 Cb 1.08 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 1ujo h PRO 60 CO 1.00 -0.17 -0.01 0.08 -0.23 0.00 0.00 178.00 178.67 1ujo s VAL 61 N -2.68 4.90 -0.35 1.56 1.01 -1.26 -5.06 120.40 118.52 1ujo s VAL 61 Ca -0.06 0.34 -0.04 0.00 0.00 0.00 0.00 61.98 62.23 1ujo s VAL 61 Cb 0.00 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.72 1ujo s VAL 61 CO 0.18 -0.43 0.11 -0.54 0.00 0.00 0.00 175.10 174.42 1ujo s LYS 62 N -3.72 2.33 -0.20 2.72 3.01 -1.26 -4.95 119.74 117.67 1ujo s LYS 62 Ca 0.48 -1.46 -0.29 0.00 -1.01 0.00 0.00 55.97 53.69 1ujo s LYS 62 Cb -0.10 -3.42 -0.02 0.00 -1.01 0.00 0.00 37.83 33.27 1ujo s LYS 62 CO 0.31 -0.81 1.45 0.08 0.51 0.00 0.00 175.35 176.88 1ujo s VAL 63 N 1.26 3.95 0.80 3.17 1.01 -1.26 -5.00 120.40 124.33 1ujo s VAL 63 Ca 0.01 1.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.98 1ujo s VAL 63 Cb -0.21 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.39 1ujo s VAL 63 CO -0.01 -0.25 1.10 -2.16 0.00 0.00 0.00 175.10 173.77 1ujo s PRO 64 N 4.12 2.04 0.03 2.72 0.04 -1.26 -5.00 135.00 137.69 1ujo s PRO 64 Ca 0.63 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.18 1ujo s PRO 64 Cb -0.23 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.34 1ujo s PRO 64 CO 0.24 -1.65 1.18 0.93 0.04 0.00 0.00 177.00 177.74 1ujo h GLU 65 N -1.11 -0.30 -6.27 4.56 4.39 -2.06 -3.44 114.58 110.36 1ujo h GLU 65 Ca -0.47 0.02 -0.57 0.00 0.34 0.00 0.00 59.36 58.68 1ujo h GLU 65 Cb 1.27 0.07 -0.10 0.00 -0.10 0.00 0.00 28.75 29.89 1ujo h GLU 65 CO 0.59 -0.20 -0.63 0.54 -1.16 0.00 0.00 179.01 178.15 1ujo s ASN 66 N -3.00 4.81 0.30 1.42 4.22 -1.26 -5.11 114.94 116.32 1ujo s ASN 66 Ca -0.06 -0.46 -0.28 0.00 -2.14 0.00 0.00 52.86 49.92 1ujo s ASN 66 Cb 0.02 -1.02 -0.09 0.00 1.28 0.00 0.00 41.25 41.43 1ujo s ASN 66 CO 0.20 0.04 1.07 -2.16 -2.04 0.00 0.00 177.10 174.21 1ujo s PRO 67 N -3.35 4.56 0.99 3.55 0.04 -1.26 -5.04 135.00 134.49 1ujo s PRO 67 Ca 0.30 1.71 -0.15 0.00 0.04 0.00 0.00 61.00 62.90 1ujo s PRO 67 Cb -0.08 -3.06 0.19 0.00 0.04 0.00 0.00 34.50 31.59 1ujo s PRO 67 CO 0.20 0.17 1.17 -1.25 0.04 0.00 0.00 177.00 177.33 1ujo s PRO 68 N -1.65 0.49 0.00 0.56 0.04 -1.26 -5.03 135.00 128.15 1ujo s PRO 68 Ca 0.47 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.56 1ujo s PRO 68 Cb -0.29 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1ujo s PRO 68 CO 0.37 -2.59 0.00 0.45 0.04 0.00 0.00 177.00 175.27 1ujo n SER 69 N -3.99 0.32 -4.08 6.66 2.88 -1.26 -4.87 113.62 109.27 1ujo n SER 69 Ca 0.10 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.28 1ujo n SER 69 Cb 0.59 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.11 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 -2.64 -0.08 0.02 -1.46 2.81 -1.26 -4.64 117.12 109.87 1ujo n MET 70 Ca 0.00 -0.01 -0.01 0.00 -1.81 0.00 0.00 57.70 55.87 1ujo n MET 70 Cb 0.26 -1.17 -0.00 0.00 -0.71 0.00 0.00 33.22 31.60 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 -1.12 0.00 -0.99 2.03 2.07 -1.98 -0.94 116.25 115.31 1ujo h VAL 71 Ca -0.44 -0.09 0.26 0.00 0.82 0.00 0.00 66.70 67.25 1ujo h VAL 71 Cb 1.30 0.00 -0.19 0.00 -1.52 0.00 0.00 31.29 30.89 1ujo h VAL 71 CO 0.25 0.00 -0.01 0.49 0.02 0.00 0.00 177.57 178.32 1ujo n PHE 72 N -2.44 0.60 0.11 1.57 3.01 -1.26 0.13 117.46 119.18 1ujo n PHE 72 Ca -0.01 1.20 -0.04 0.00 1.01 0.00 0.00 57.45 59.61 1ujo n PHE 72 Cb 0.03 -1.23 -0.02 0.00 -0.01 0.00 0.00 39.48 38.25 1ujo n PHE 72 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 1ujo h LYS 73 N 0.00 -0.28 -0.77 -1.08 1.79 -1.93 0.99 116.57 115.29 1ujo h LYS 73 Ca 0.59 0.02 0.14 0.00 -2.18 0.00 0.00 60.65 59.21 1ujo h LYS 73 Cb 1.18 0.06 -0.14 0.00 -1.58 0.00 0.00 32.23 31.75 1ujo h LYS 73 CO -0.95 -0.19 -0.31 1.96 -1.08 0.00 0.00 179.45 178.89 1ujo h GLN 74 N -0.34 -0.07 0.05 3.15 4.20 0.31 0.71 115.11 123.13 1ujo h GLN 74 Ca -0.03 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.71 1ujo h GLN 74 Cb 0.22 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 1ujo h GLN 74 CO 0.05 -0.05 -0.31 0.52 -0.67 0.00 0.00 178.83 178.37 1ujo h MET 75 N -0.07 -0.48 -0.53 1.46 2.86 0.11 -2.09 114.93 116.19 1ujo h MET 75 Ca 0.31 0.03 0.06 0.00 -2.06 0.00 0.00 59.70 58.04 1ujo h MET 75 Cb 0.58 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.29 1ujo h MET 75 CO -0.81 -0.32 0.24 0.93 1.06 0.00 0.00 176.91 178.01 1ujo h GLU 76 N -0.50 0.44 -0.85 1.72 5.08 0.13 -1.73 114.58 118.87 1ujo h GLU 76 Ca 0.05 -0.03 0.19 0.00 -1.00 0.00 0.00 59.36 58.57 1ujo h GLU 76 Cb 0.56 -0.10 -0.16 0.00 0.50 0.00 0.00 28.75 29.55 1ujo h GLU 76 CO -0.23 0.29 -0.08 0.37 -1.00 0.00 0.00 179.01 178.37 1ujo h GLN 77 N 0.46 0.04 0.13 2.33 5.75 0.10 0.26 115.11 124.18 1ujo h GLN 77 Ca 0.25 -0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1ujo h GLN 77 Cb 0.21 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.75 1ujo h GLN 77 CO -0.21 0.03 -0.06 0.28 -2.65 0.00 0.00 178.83 176.22 1ujo h VAL 78 N 0.04 0.98 -0.96 2.39 2.07 -0.90 -2.67 116.25 117.20 1ujo h VAL 78 Ca 0.45 -0.45 0.31 0.00 0.82 0.00 0.00 66.70 67.83 1ujo h VAL 78 Cb 0.80 1.26 -0.16 0.00 -1.52 0.00 0.00 31.29 31.67 1ujo h VAL 78 CO -0.81 0.11 0.36 0.00 0.02 0.00 0.00 177.57 177.25 1ujo h ALA 79 N 0.45 1.64 -0.51 1.67 0.00 0.11 1.26 119.26 123.88 1ujo h ALA 79 Ca -0.02 0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.20 1ujo h ALA 79 Cb 0.31 0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1ujo h ALA 79 CO 0.03 -0.62 0.22 1.96 0.00 0.00 0.00 179.25 180.84 1ujo h GLN 80 N 0.16 0.42 -0.17 0.00 4.20 -0.57 0.39 115.11 119.54 1ujo h GLN 80 Ca 0.68 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 59.22 1ujo h GLN 80 Cb 1.54 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.23 1ujo h GLN 80 CO -0.72 0.28 -0.44 0.35 -0.67 0.00 0.00 178.83 177.63 1ujo h PHE 81 N 0.43 0.77 0.16 2.96 3.57 0.13 -1.97 116.94 123.00 1ujo h PHE 81 Ca 0.24 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ujo h PHE 81 Cb 0.21 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.78 1ujo h PHE 81 CO -0.13 1.07 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.57 1ujo h LEU 82 N 0.26 -1.10 -1.16 0.59 3.38 0.63 1.47 115.31 119.38 1ujo h LEU 82 Ca -0.01 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.21 1ujo h LEU 82 Cb 1.06 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 42.12 1ujo h LEU 82 CO 0.10 -0.42 0.60 0.50 0.09 0.00 0.00 178.44 179.31 1ujo h LYS 83 N -0.59 0.79 -0.74 1.13 3.64 -1.02 0.23 116.57 120.01 1ujo h LYS 83 Ca -0.02 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1ujo h LYS 83 Cb 0.56 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 1ujo h LYS 83 CO -0.16 0.52 0.25 0.00 -2.27 0.00 0.00 179.45 177.79 1ujo h ALA 84 N 1.58 0.96 -0.17 5.00 0.00 -0.37 -2.15 119.26 124.11 1ujo h ALA 84 Ca 0.48 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.20 1ujo h ALA 84 Cb 0.65 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1ujo h ALA 84 CO -0.24 0.63 -0.01 0.00 0.00 0.00 0.00 179.25 179.63 1ujo h ALA 85 N 1.13 0.14 -0.48 0.00 0.00 0.53 -2.09 119.26 118.49 1ujo h ALA 85 Ca 0.24 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.28 1ujo h ALA 85 Cb 0.28 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1ujo h ALA 85 CO -0.01 -0.45 0.09 1.49 0.00 0.00 0.00 179.25 180.37 1ujo h GLU 86 N 0.05 0.22 -0.96 0.00 4.81 -0.95 0.34 114.58 118.08 1ujo h GLU 86 Ca 0.08 -0.01 0.22 0.00 -0.13 0.00 0.00 59.36 59.52 1ujo h GLU 86 Cb 0.10 -0.05 -0.12 0.00 0.63 0.00 0.00 28.75 29.32 1ujo h GLU 86 CO -0.14 0.15 0.52 0.22 -0.73 0.00 0.00 179.01 179.02 1ujo h ASP 87 N 0.23 0.57 -0.15 1.04 1.82 -0.74 0.45 116.42 119.64 1ujo h ASP 87 Ca 0.24 0.13 0.05 0.00 -0.39 0.00 0.00 57.03 57.06 1ujo h ASP 87 Cb 0.32 0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.32 1ujo h ASP 87 CO -0.32 0.11 -0.19 0.22 -1.61 0.00 0.00 179.24 177.45 1ujo h TYR 88 N 0.56 -0.49 0.00 0.28 3.20 -0.46 -3.45 116.97 116.60 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 1.08 0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.59 1ujo h TYR 88 CO -0.05 -0.27 0.00 0.41 -1.64 0.00 0.00 178.16 176.61 1ujo n GLY 89 N -1.33 0.00 3.63 1.82 0.00 0.13 -5.10 105.19 104.35 1ujo n GLY 89 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1ujo n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ujo s VAL 90 N 0.00 4.69 0.27 1.61 1.01 -1.13 -4.99 120.40 121.86 1ujo s VAL 90 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 1ujo s VAL 90 Cb 0.00 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.35 1ujo s VAL 90 CO 0.00 0.48 0.15 2.30 0.00 0.00 0.00 175.10 178.03 1ujo n ILE 91 N 3.37 0.00 0.65 2.22 -5.35 -1.26 -4.67 119.36 114.33 1ujo n ILE 91 Ca -0.17 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.38 1ujo n ILE 91 Cb 0.52 -0.17 0.01 0.00 -1.74 0.00 0.00 39.64 38.27 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 -2.26 1.64 -0.04 6.28 4.76 -1.26 -4.17 118.16 123.12 1ujo n LYS 92 Ca 0.02 -0.90 0.10 0.00 -2.87 0.00 0.00 58.31 54.67 1ujo n LYS 92 Cb 0.10 -1.24 0.11 0.00 -1.84 0.00 0.00 35.03 32.16 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 0.05 0.11 0.28 -0.18 -2.24 -1.26 -4.11 114.28 106.93 1ujo n THR 93 Ca 0.07 -0.56 0.04 0.00 -2.27 0.00 0.00 64.05 61.33 1ujo n THR 93 Cb 0.33 1.33 -0.05 0.00 -2.10 0.00 0.00 70.33 69.83 1ujo n THR 93 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1ujo n ASP 94 N 1.20 1.19 -4.78 3.42 9.92 -1.26 -4.99 116.55 121.26 1ujo n ASP 94 Ca 0.13 -0.49 -0.39 0.00 -0.53 0.00 0.00 54.79 53.51 1ujo n ASP 94 Cb 0.53 1.12 -0.06 0.00 -0.64 0.00 0.00 41.12 42.07 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 0.13 0.00 0.00 177.20 177.29 1ujo s MET 95 N -2.04 4.54 0.48 -1.24 -1.94 -1.26 -1.25 119.30 116.59 1ujo s MET 95 Ca 0.01 1.12 0.07 0.00 -1.71 0.00 0.00 55.69 55.19 1ujo s MET 95 Cb 0.06 -3.27 0.01 0.00 2.01 0.00 0.00 34.83 33.65 1ujo s MET 95 CO 0.35 0.55 0.45 -0.59 -0.01 0.00 0.00 175.02 175.77 1ujo s PHE 96 N -1.05 2.16 -0.03 -0.03 -0.12 -1.26 -4.98 117.98 112.66 1ujo s PHE 96 Ca 0.36 -0.64 -0.16 0.00 -0.05 0.00 0.00 56.93 56.43 1ujo s PHE 96 Cb -0.23 -2.09 -0.05 0.00 -0.63 0.00 0.00 43.02 40.02 1ujo s PHE 96 CO 0.26 -0.39 0.44 -0.65 -0.05 0.00 0.00 175.22 174.82 1ujo s GLN 97 N -4.26 4.08 0.40 1.99 -0.21 -1.26 -4.94 119.66 115.46 1ujo s GLN 97 Ca 0.45 0.44 0.28 0.00 0.02 0.00 0.00 55.36 56.55 1ujo s GLN 97 Cb -0.03 -3.29 1.38 0.00 1.00 0.00 0.00 33.01 32.07 1ujo s GLN 97 CO 0.27 0.52 1.49 2.41 -2.12 0.00 0.00 175.29 177.86 1ujo n THR 98 N 2.39 -0.28 0.07 -0.19 -1.04 -1.26 0.17 114.28 114.14 1ujo n THR 98 Ca -0.12 1.77 -0.13 0.00 -2.04 0.00 0.00 64.05 63.54 1ujo n THR 98 Cb 0.52 -2.89 -0.09 0.00 -1.82 0.00 0.00 70.33 66.05 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 1.01 -1.89 12.58 3.04 -1.95 1.33 116.25 130.38 1ujo h VAL 99 Ca 0.83 -0.85 0.55 0.00 -1.01 0.00 0.00 66.70 66.22 1ujo h VAL 99 Cb 2.55 1.52 -0.08 0.00 -2.01 0.00 0.00 31.29 33.26 1ujo h VAL 99 CO -0.52 0.19 1.35 0.47 -1.01 0.00 0.00 177.57 178.05 1ujo n ASP 100 N -4.99 0.02 -0.05 3.17 8.00 0.46 0.16 116.55 123.32 1ujo n ASP 100 Ca -0.09 1.01 -0.05 0.00 0.71 0.00 0.00 54.79 56.37 1ujo n ASP 100 Cb 0.24 -0.50 -0.02 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 -3.95 1.10 -0.25 0.64 7.94 -0.98 -1.22 117.00 120.28 1ujo n LEU 101 Ca 0.43 0.19 -0.03 0.00 -1.11 0.00 0.00 56.01 55.49 1ujo n LEU 101 Cb 1.94 -0.62 0.03 0.00 0.53 0.00 0.00 43.42 45.30 1ujo n LEU 101 CO 0.41 -0.38 0.64 0.22 -1.11 0.00 0.00 177.39 177.18 1ujo h TYR 102 N -0.56 -0.83 -0.52 1.96 3.20 0.27 0.71 116.97 121.21 1ujo h TYR 102 Ca 0.00 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1ujo h TYR 102 Cb 0.56 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 39.29 1ujo h TYR 102 CO -0.24 -0.37 0.01 0.39 -1.64 0.00 0.00 178.16 176.30 1ujo n GLU 103 N -5.46 4.46 -2.72 1.82 -0.58 0.43 -4.90 120.64 113.70 1ujo n GLU 103 Ca 0.07 -2.80 -0.12 0.00 -0.42 0.00 0.00 57.16 53.88 1ujo n GLU 103 Cb 0.37 -2.19 -0.02 0.00 -0.57 0.00 0.00 31.44 29.03 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 0.54 -0.37 0.29 0.62 0.00 0.25 -4.68 105.19 101.84 1ujo n GLY 104 Ca 0.25 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.36 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 -0.24 0.22 -2.04 1.61 1.57 -1.26 -3.39 116.57 113.04 1ujo h LYS 105 Ca -0.16 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.44 1ujo h LYS 105 Cb 0.90 -0.05 -0.30 0.00 0.08 0.00 0.00 32.23 32.86 1ujo h LYS 105 CO 0.25 0.15 -0.48 0.34 -0.57 0.00 0.00 179.45 179.13 1ujo s ASP 106 N -6.87 0.28 -0.14 0.86 -1.08 -0.36 -4.95 116.67 104.41 1ujo s ASP 106 Ca -0.06 0.29 -0.20 0.00 -0.52 0.00 0.00 52.55 52.06 1ujo s ASP 106 Cb 0.17 1.07 -0.17 0.00 -1.46 0.00 0.00 42.92 42.53 1ujo s ASP 106 CO 0.70 -0.29 0.44 0.24 0.52 0.00 0.00 175.17 176.77 1ujo h MET 107 N 8.20 0.00 -1.00 4.34 2.86 -1.76 -3.17 114.93 124.40 1ujo h MET 107 Ca -0.19 0.00 0.39 0.00 -2.06 0.00 0.00 59.70 57.84 1ujo h MET 107 Cb 1.15 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 32.63 1ujo h MET 107 CO 0.25 0.70 0.50 0.00 1.06 0.00 0.00 176.91 179.42 1ujo h ALA 108 N -0.38 2.04 0.48 6.32 0.00 -1.96 0.71 119.26 126.47 1ujo h ALA 108 Ca -0.06 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1ujo h ALA 108 Cb 0.79 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1ujo h ALA 108 CO -0.03 -0.85 -0.23 0.00 0.00 0.00 0.00 179.25 178.13 1ujo h ALA 109 N 1.97 -0.64 -1.99 0.00 0.00 -1.95 -1.42 119.26 115.23 1ujo h ALA 109 Ca 0.81 -0.19 0.58 0.00 0.00 0.00 0.00 54.91 56.11 1ujo h ALA 109 Cb 2.05 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 20.01 1ujo h ALA 109 CO -0.75 -0.74 1.43 0.28 0.00 0.00 0.00 179.25 179.46 1ujo h VAL 110 N -0.88 0.00 0.00 0.00 2.07 0.43 0.98 116.25 118.86 1ujo h VAL 110 Ca -0.07 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1ujo h VAL 110 Cb 0.58 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1ujo h VAL 110 CO 0.11 0.00 -0.05 1.56 0.02 0.00 0.00 177.57 179.21 1ujo h GLN 111 N 0.00 0.00 -1.48 1.57 4.20 -0.82 -3.24 115.11 115.34 1ujo h GLN 111 Ca 0.95 0.00 0.48 0.00 0.06 0.00 0.00 58.65 60.14 1ujo h GLN 111 Cb 3.80 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 31.46 1ujo h GLN 111 CO -0.02 0.72 1.00 -2.13 -0.67 0.00 0.00 178.83 177.73 1ujo n ARG 112 N -4.65 -0.02 0.07 1.46 0.63 0.33 0.59 116.66 115.07 1ujo n ARG 112 Ca -0.08 1.14 -0.03 0.00 -0.92 0.00 0.00 57.85 57.96 1ujo n ARG 112 Cb 0.36 -2.36 -0.02 0.00 0.45 0.00 0.00 32.46 30.89 1ujo n ARG 112 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1ujo h THR 113 N 0.00 0.00 -0.67 5.15 2.02 -0.52 -3.18 112.91 115.71 1ujo h THR 113 Ca 0.86 -0.17 0.14 0.00 0.77 0.00 0.00 66.41 68.01 1ujo h THR 113 Cb 2.97 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 69.27 1ujo h THR 113 CO -0.31 0.00 0.04 -0.07 0.37 0.00 0.00 175.52 175.55 1ujo h LEU 114 N -0.38 -0.23 -1.26 2.58 3.38 -0.78 0.39 115.31 119.01 1ujo h LEU 114 Ca -0.02 0.16 0.42 0.00 0.09 0.00 0.00 57.88 58.53 1ujo h LEU 114 Cb 0.16 0.27 -0.14 0.00 0.09 0.00 0.00 40.66 41.04 1ujo h LEU 114 CO 0.04 -0.11 0.75 0.24 0.09 0.00 0.00 178.44 179.44 1ujo h MET 115 N 0.15 0.09 0.00 1.13 2.86 0.06 0.51 114.93 119.73 1ujo h MET 115 Ca 0.36 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.98 1ujo h MET 115 Cb 0.61 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 1ujo h MET 115 CO -0.56 0.06 -0.18 0.00 1.06 0.00 0.00 176.91 177.30 1ujo h ALA 116 N 1.72 0.02 -0.87 6.32 0.00 -0.27 -3.03 119.26 123.15 1ujo h ALA 116 Ca 0.82 -0.31 0.12 0.00 0.00 0.00 0.00 54.91 55.54 1ujo h ALA 116 Cb 2.40 0.13 -0.14 0.00 0.00 0.00 0.00 17.79 20.19 1ujo h ALA 116 CO -0.52 0.13 -0.43 1.25 0.00 0.00 0.00 179.25 179.67 1ujo h LEU 117 N -1.00 -1.57 0.13 0.00 5.85 0.39 0.91 115.31 120.02 1ujo h LEU 117 Ca -0.03 0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1ujo h LEU 117 Cb 0.46 0.77 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1ujo h LEU 117 CO -0.02 -0.29 -0.20 1.23 -0.34 0.00 0.00 178.44 178.82 1ujo h GLY 118 N -0.07 -1.04 -0.46 3.75 0.00 -0.24 0.11 103.07 105.13 1ujo h GLY 118 Ca 0.26 0.48 0.23 0.00 0.00 0.00 0.00 47.33 48.31 1ujo h GLY 118 CO -0.89 -0.34 0.23 0.23 0.00 0.00 0.00 176.54 175.77 1ujo h SER 119 N -0.36 -0.02 -0.16 0.19 0.87 -1.15 0.54 113.55 113.47 1ujo h SER 119 Ca -0.02 0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.78 1ujo h SER 119 Cb 0.33 0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 1ujo h SER 119 CO -0.06 -0.16 -0.08 -0.07 -0.53 0.00 0.00 176.83 175.92 1ujo h LEU 120 N 0.20 -0.27 -1.49 2.23 3.38 0.14 0.79 115.31 120.28 1ujo h LEU 120 Ca 0.55 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.57 1ujo h LEU 120 Cb 1.11 0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1ujo h LEU 120 CO -0.66 -0.11 0.18 0.00 0.09 0.00 0.00 178.44 177.94 1ujo h ALA 121 N 1.07 1.61 0.06 1.53 0.00 0.25 -2.39 119.26 121.40 1ujo h ALA 121 Ca 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ujo h ALA 121 Cb 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1ujo h ALA 121 CO -0.21 0.32 -0.03 0.28 0.00 0.00 0.00 179.25 179.62 1ujo h VAL 122 N 0.53 1.19 -0.92 0.00 2.07 0.15 -2.50 116.25 116.77 1ujo h VAL 122 Ca 0.14 -0.85 0.17 0.00 0.82 0.00 0.00 66.70 66.98 1ujo h VAL 122 Cb 0.06 1.74 -0.17 0.00 -1.52 0.00 0.00 31.29 31.40 1ujo h VAL 122 CO -0.02 0.21 -0.28 0.74 0.02 0.00 0.00 177.57 178.24 1ujo h THR 123 N -0.46 0.06 0.55 2.57 2.02 0.10 -0.75 112.91 117.01 1ujo h THR 123 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1ujo h THR 123 Cb 0.41 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1ujo h THR 123 CO 0.01 0.00 -0.30 0.11 0.37 0.00 0.00 175.52 175.72 1ujo h LYS 124 N -0.01 -0.75 -6.29 6.66 6.56 -1.46 -3.48 116.57 117.80 1ujo h LYS 124 Ca 0.40 0.05 -0.12 0.00 -1.06 0.00 0.00 60.65 59.93 1ujo h LYS 124 Cb 0.65 0.17 0.01 0.00 -0.57 0.00 0.00 32.23 32.48 1ujo h LYS 124 CO -0.94 -0.50 -1.05 -1.71 -2.06 0.00 0.00 179.45 173.19 1ujo n ASN 125 N -4.20 -6.42 0.02 0.86 5.15 -0.29 -4.90 115.26 105.48 1ujo n ASN 125 Ca -0.10 0.32 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 1ujo n ASN 125 Cb 0.31 -2.04 0.00 0.00 -0.53 0.00 0.00 39.78 37.53 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 0.75 -0.32 -2.67 1.20 2.03 -1.26 -5.04 116.55 111.24 1ujo n ASP 126 Ca -0.02 0.08 -0.04 0.00 0.52 0.00 0.00 54.79 55.33 1ujo n ASP 126 Cb 0.51 0.66 0.10 0.00 -0.72 0.00 0.00 41.12 41.67 1ujo n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ujo n GLY 127 N -0.85 -1.42 2.03 0.27 0.00 -1.26 -5.04 105.19 98.91 1ujo n GLY 127 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 0.82 -0.58 -4.64 1.61 3.02 -1.26 -4.93 115.26 109.30 1ujo n ASN 128 Ca -0.03 0.42 -0.45 0.00 -0.03 0.00 0.00 54.58 54.50 1ujo n ASN 128 Cb 0.74 0.71 -0.02 0.00 -0.61 0.00 0.00 39.78 40.60 1ujo n ASN 128 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ujo n TYR 129 N -3.24 1.78 0.02 3.10 4.19 -1.26 -4.54 117.16 117.21 1ujo n TYR 129 Ca 0.00 0.59 -0.18 0.00 3.31 0.00 0.00 57.90 61.62 1ujo n TYR 129 Cb 0.00 -2.35 -0.14 0.00 0.49 0.00 0.00 39.34 37.34 1ujo n TYR 129 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 1ujo h ARG 130 N 2.90 0.22 0.00 2.98 2.43 -1.94 -3.46 114.38 117.52 1ujo h ARG 130 Ca -0.43 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.36 1ujo h ARG 130 Cb 1.31 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 1ujo h ARG 130 CO 0.66 1.05 0.00 0.41 -1.51 0.00 0.00 179.97 180.58 1ujo n GLY 131 N 1.81 1.34 3.04 2.80 0.00 -1.26 -4.91 105.19 108.01 1ujo n GLY 131 Ca -0.24 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.00 0.64 0.21 1.61 1.11 -1.26 -5.04 116.67 112.94 1ujo s ASP 132 Ca 0.00 -0.57 0.08 0.00 0.18 0.00 0.00 52.55 52.24 1ujo s ASP 132 Cb 0.00 0.07 0.14 0.00 1.07 0.00 0.00 42.92 44.20 1ujo s ASP 132 CO 0.00 -0.26 1.48 1.55 1.18 0.00 0.00 175.17 179.12 1ujo h PRO 133 N 4.43 0.03 -2.22 8.23 0.13 -1.95 -3.28 132.00 137.35 1ujo h PRO 133 Ca -0.34 -0.03 -0.36 0.00 -0.87 0.00 0.00 66.00 64.40 1ujo h PRO 133 Cb 1.20 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 1ujo h PRO 133 CO 0.43 0.77 0.69 0.09 -0.23 0.00 0.00 178.00 179.76 1ujo n ASN 134 N -3.65 6.26 0.02 1.44 3.02 -1.26 -3.92 115.26 117.17 1ujo n ASN 134 Ca -0.01 -2.65 -0.01 0.00 -0.03 0.00 0.00 54.58 51.88 1ujo n ASN 134 Cb 0.73 -1.41 -0.00 0.00 -0.61 0.00 0.00 39.78 38.49 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 2.39 0.00 -0.06 3.10 7.02 -1.24 -4.91 117.44 123.75 1ujo n TRP 135 Ca 0.52 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.96 1ujo n TRP 135 Cb 0.69 -0.03 -0.04 0.00 -2.42 0.00 0.00 31.31 29.52 1ujo n TRP 135 CO 0.00 0.00 0.00 0.74 -2.02 0.00 0.00 177.69 176.41 1ujo h PHE 136 N -0.06 0.00 -3.30 -5.99 -1.00 -1.84 -3.47 116.94 101.27 1ujo h PHE 136 Ca 0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 1ujo h PHE 136 Cb 0.06 0.00 0.19 0.00 3.61 0.00 0.00 35.95 39.81 1ujo h PHE 136 CO -0.03 0.27 -0.31 -0.12 -1.61 0.00 0.00 178.31 176.51 1ujo n MET 137 N -4.73 0.33 -2.92 1.51 1.56 -1.25 -4.09 117.12 107.52 1ujo n MET 137 Ca -0.03 0.15 -0.00 0.00 -0.27 0.00 0.00 57.70 57.55 1ujo n MET 137 Cb 0.13 -1.89 0.00 0.00 2.15 0.00 0.00 33.22 33.61 1ujo n MET 137 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 1ujo n LYS 138 N -0.92 -2.19 -3.18 2.12 4.76 -1.26 -4.87 118.16 112.62 1ujo n LYS 138 Ca 0.11 1.97 0.05 0.00 -2.87 0.00 0.00 58.31 57.56 1ujo n LYS 138 Cb 0.50 -3.60 -0.03 0.00 -1.84 0.00 0.00 35.03 30.06 1ujo n LYS 138 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ujo s SER 139 N -1.39 -0.17 0.00 4.39 0.15 -1.26 -4.94 113.70 110.48 1ujo s SER 139 Ca 0.01 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1ujo s SER 139 Cb -0.00 1.16 0.00 0.00 -1.71 0.00 0.00 66.02 65.47 1ujo s SER 139 CO 0.47 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.49 1ujo n GLY 140 N 5.16 2.42 3.79 9.45 0.00 -1.26 -5.03 105.19 119.72 1ujo n GLY 140 Ca -0.08 -1.86 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 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 -3.33 3.91 0.56 1.61 0.04 -1.26 -4.84 135.00 131.69 1ujo s PRO 141 Ca 0.00 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1ujo s PRO 141 Cb 0.00 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1ujo s PRO 141 CO 0.00 -0.34 0.00 0.45 0.04 0.00 0.00 177.00 177.15 1ujo n SER 142 N -0.69 -8.00 -1.89 6.66 2.88 -1.26 -5.01 113.62 106.31 1ujo n SER 142 Ca 0.08 1.28 0.00 0.00 -1.33 0.00 0.00 58.87 58.90 1ujo n SER 142 Cb 0.52 -4.76 0.00 0.00 -0.75 0.00 0.00 64.21 59.21 1ujo n SER 142 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1ujo n SER 143 N -4.29 -8.81 0.00 -3.46 2.88 -1.26 -5.00 113.62 93.67 1ujo n SER 143 Ca -0.07 1.29 0.06 0.00 -1.33 0.00 0.00 58.87 58.82 1ujo n SER 143 Cb 0.67 -4.80 0.35 0.00 -0.75 0.00 0.00 64.21 59.68 1ujo n SER 143 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42