#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 1.83 0.28 1.61 1.04 -1.26 -5.14 113.70 112.06 1ujo s SER 2 Ca 0.00 -0.18 0.11 0.00 0.48 0.00 0.00 55.95 56.35 1ujo s SER 2 Cb 0.00 -0.58 -0.05 0.00 0.10 0.00 0.00 66.02 65.49 1ujo s SER 2 CO 0.00 -0.17 -0.09 -0.55 0.98 0.00 0.00 173.24 173.41 1ujo s SER 3 N 1.88 4.06 0.00 7.02 0.15 -1.26 -5.07 113.70 120.48 1ujo s SER 3 Ca 0.05 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.82 1ujo s SER 3 Cb -0.12 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.63 1ujo s SER 3 CO -0.06 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1ujo n GLY 4 N -0.79 2.16 3.73 9.45 0.00 -1.26 -5.04 105.19 113.46 1ujo n GLY 4 Ca -0.05 -1.88 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.06 3.55 -0.03 1.61 0.01 -1.26 -5.07 113.70 112.45 1ujo s SER 5 Ca 0.00 1.39 -0.06 0.00 1.31 0.00 0.00 55.95 58.59 1ujo s SER 5 Cb 0.00 -2.07 0.01 0.00 0.21 0.00 0.00 66.02 64.17 1ujo s SER 5 CO 0.00 -2.58 0.14 -0.44 0.41 0.00 0.00 173.24 170.77 1ujo s SER 6 N -3.55 -0.07 0.41 2.44 0.01 -1.26 -4.86 113.70 106.83 1ujo s SER 6 Ca 0.63 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.96 1ujo s SER 6 Cb -0.17 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1ujo s SER 6 CO 0.56 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.63 1ujo n GLY 7 N 2.30 -2.82 3.91 3.44 0.00 -1.26 -4.64 105.19 106.12 1ujo n GLY 7 Ca -0.17 -1.18 -0.29 0.00 0.00 0.00 0.00 46.02 44.38 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 -3.43 1.82 0.12 1.61 2.02 -1.26 -4.66 118.70 114.92 1ujo s GLU 8 Ca 0.00 -0.01 -0.32 0.00 0.02 0.00 0.00 54.97 54.67 1ujo s GLU 8 Cb 0.00 -1.97 -0.11 0.00 0.10 0.00 0.00 34.13 32.15 1ujo s GLU 8 CO 0.00 -1.66 1.53 1.49 0.02 0.00 0.00 175.26 176.64 1ujo h GLU 9 N -1.08 -0.41 0.18 1.61 4.81 -2.00 0.81 114.58 118.51 1ujo h GLU 9 Ca -0.46 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1ujo h GLU 9 Cb 1.32 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.79 1ujo h GLU 9 CO 0.62 -0.27 -0.09 1.25 -0.73 0.00 0.00 179.01 179.79 1ujo h LEU 10 N -0.42 -0.20 -0.83 1.64 5.85 -2.00 -2.99 115.31 116.35 1ujo h LEU 10 Ca 0.06 -0.13 0.16 0.00 0.84 0.00 0.00 57.88 58.81 1ujo h LEU 10 Cb 0.59 0.05 -0.15 0.00 0.37 0.00 0.00 40.66 41.52 1ujo h LEU 10 CO -0.54 0.01 -0.26 -0.08 -0.34 0.00 0.00 178.44 177.23 1ujo h GLU 11 N -0.41 -0.03 -0.95 1.25 4.81 -1.74 0.43 114.58 117.93 1ujo h GLU 11 Ca -0.02 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.42 1ujo h GLU 11 Cb 0.32 0.01 -0.18 0.00 0.63 0.00 0.00 28.75 29.53 1ujo h GLU 11 CO 0.04 -0.02 -0.15 0.93 -0.73 0.00 0.00 179.01 179.09 1ujo h GLU 12 N -0.03 0.01 0.37 1.92 4.39 0.78 0.28 114.58 122.30 1ujo h GLU 12 Ca 0.37 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.05 1ujo h GLU 12 Cb 0.61 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 1ujo h GLU 12 CO -0.86 0.01 -0.18 0.00 -1.16 0.00 0.00 179.01 176.81 1ujo h ARG 13 N 0.01 -0.48 -0.94 2.33 2.47 -0.21 0.32 114.38 117.88 1ujo h ARG 13 Ca 0.50 0.03 0.15 0.00 -1.26 0.00 0.00 59.98 59.40 1ujo h ARG 13 Cb 0.86 0.11 -0.16 0.00 -1.65 0.00 0.00 29.97 29.13 1ujo h ARG 13 CO -0.95 -0.25 -0.37 -0.07 0.56 0.00 0.00 179.97 178.89 1ujo h LEU 14 N -0.61 -1.36 0.32 3.04 3.38 0.17 0.36 115.31 120.60 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 0.45 0.72 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1ujo h LEU 14 CO 0.08 -0.29 -0.15 0.58 0.09 0.00 0.00 178.44 178.75 1ujo h VAL 15 N -0.02 0.70 -1.49 1.22 2.07 -0.96 -1.37 116.25 116.40 1ujo h VAL 15 Ca 0.34 -0.13 0.43 0.00 0.82 0.00 0.00 66.70 68.16 1ujo h VAL 15 Cb 0.60 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1ujo h VAL 15 CO -0.95 0.03 1.16 -0.33 0.02 0.00 0.00 177.57 177.50 1ujo h GLU 16 N -0.49 0.00 0.00 1.57 4.39 0.18 0.46 114.58 120.69 1ujo h GLU 16 Ca -0.04 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1ujo h GLU 16 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1ujo h GLU 16 CO 0.07 0.00 -0.00 2.35 -1.16 0.00 0.00 179.01 180.27 1ujo h TRP 17 N 0.00 -0.00 -1.26 4.33 7.01 0.11 -3.04 115.95 123.09 1ujo h TRP 17 Ca 0.71 -0.00 0.37 0.00 2.11 0.00 0.00 58.89 62.07 1ujo h TRP 17 Cb 3.02 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 30.03 1ujo h TRP 17 CO 0.00 -0.00 1.14 0.82 -2.79 0.00 0.00 178.44 177.61 1ujo h ILE 18 N -0.55 0.10 0.05 2.65 2.04 0.24 1.60 117.51 123.64 1ujo h ILE 18 Ca -0.00 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ujo h ILE 18 Cb 0.00 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.22 1ujo h ILE 18 CO 0.00 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.71 1ujo h VAL 19 N 0.00 1.25 -0.54 1.67 2.07 -0.28 0.37 116.25 120.80 1ujo h VAL 19 Ca 0.60 -1.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.00 1ujo h VAL 19 Cb 2.87 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 34.54 1ujo h VAL 19 CO -0.01 0.26 -0.03 -0.37 0.02 0.00 0.00 177.57 177.44 1ujo h VAL 20 N -0.52 1.26 0.00 2.57 -1.51 0.22 1.61 116.25 119.87 1ujo h VAL 20 Ca -0.01 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 1ujo h VAL 20 Cb 0.47 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1ujo h VAL 20 CO 0.01 0.40 0.00 0.00 -1.23 0.00 0.00 177.57 176.75 1ujo n GLN 21 N -4.18 0.00 0.16 5.19 1.13 0.11 -4.03 117.38 115.77 1ujo n GLN 21 Ca 0.02 0.43 -0.14 0.00 -1.94 0.00 0.00 57.00 55.37 1ujo n GLN 21 Cb 0.35 -1.26 -0.08 0.00 0.11 0.00 0.00 30.24 29.35 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 -1.15 1.04 2.30 0.00 0.00 0.55 -4.78 105.19 103.15 1ujo n GLY 23 Ca -0.10 -2.27 -0.19 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.80 2.13 0.01 1.61 -0.04 -1.25 -3.43 135.00 133.24 1ujo n PRO 24 Ca 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 63.50 62.20 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 3.28 0.08 0.09 3.54 -0.08 -1.26 -4.76 116.55 117.44 1ujo n ASP 25 Ca 0.46 0.03 0.03 0.00 -1.51 0.00 0.00 54.79 53.80 1ujo n ASP 25 Cb 0.43 -0.01 0.40 0.00 2.34 0.00 0.00 41.12 44.29 1ujo n ASP 25 CO 0.00 0.00 0.00 -0.37 0.12 0.00 0.00 177.20 176.95 1ujo h VAL 26 N 0.00 1.15 0.00 5.18 -1.51 -1.90 -3.48 116.25 115.69 1ujo h VAL 26 Ca 0.00 -0.62 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 1ujo h VAL 26 Cb 0.56 1.04 0.00 0.00 -2.13 0.00 0.00 31.29 30.76 1ujo h VAL 26 CO 0.00 0.21 0.00 0.61 -1.23 0.00 0.00 177.57 177.16 1ujo n GLY 27 N -1.02 -0.23 3.75 5.19 0.00 -1.26 -4.94 105.19 106.67 1ujo n GLY 27 Ca 0.00 -1.19 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 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 2.18 0.38 1.61 0.52 -1.26 -4.87 118.95 117.52 1ujo s ARG 28 Ca 0.00 -2.01 -0.25 0.00 -0.52 0.00 0.00 55.73 52.95 1ujo s ARG 28 Cb 0.00 -1.87 -0.09 0.00 0.52 0.00 0.00 34.95 33.51 1ujo s ARG 28 CO 0.00 -0.23 1.06 -1.25 0.02 0.00 0.00 175.30 174.90 1ujo s PRO 29 N -3.93 4.22 0.68 3.54 0.04 -1.26 -4.99 135.00 133.30 1ujo s PRO 29 Ca 0.33 1.56 -0.17 0.00 0.04 0.00 0.00 61.00 62.76 1ujo s PRO 29 Cb 0.03 -2.63 -0.02 0.00 0.04 0.00 0.00 34.50 31.93 1ujo s PRO 29 CO 0.18 -0.10 0.83 -0.40 0.04 0.00 0.00 177.00 177.54 1ujo n ASP 30 N 0.09 0.02 -4.33 6.66 5.75 -1.26 -4.90 116.55 118.58 1ujo n ASP 30 Ca 0.04 0.69 -0.29 0.00 -0.01 0.00 0.00 54.79 55.22 1ujo n ASP 30 Cb 0.49 -1.34 0.22 0.00 -1.03 0.00 0.00 41.12 39.46 1ujo n ASP 30 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1ujo s ARG 31 N -2.97 -0.56 0.26 0.11 3.03 -1.26 -4.41 118.95 113.15 1ujo s ARG 31 Ca 0.72 0.36 0.00 0.00 2.03 0.00 0.00 55.73 58.84 1ujo s ARG 31 Cb -0.37 -1.64 0.00 0.00 -1.03 0.00 0.00 34.95 31.92 1ujo s ARG 31 CO 0.51 -3.36 0.00 0.41 -1.13 0.00 0.00 175.30 171.73 1ujo n GLY 32 N -0.55 -2.57 3.33 3.88 0.00 -1.26 -4.60 105.19 103.42 1ujo n GLY 32 Ca 0.07 -1.29 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 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 -3.25 -3.24 -1.48 1.61 5.12 -1.26 -2.76 116.66 111.40 1ujo n ARG 33 Ca -0.03 -0.94 -0.13 0.00 -1.93 0.00 0.00 57.85 54.82 1ujo n ARG 33 Cb 0.32 -1.98 -0.05 0.00 -1.16 0.00 0.00 32.46 29.59 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 -4.62 -1.00 0.09 0.55 4.32 -1.26 -4.83 117.00 110.26 1ujo n LEU 34 Ca 0.06 0.32 -0.04 0.00 -0.02 0.00 0.00 56.01 56.32 1ujo n LEU 34 Cb 0.56 -2.04 -0.02 0.00 -1.62 0.00 0.00 43.42 40.30 1ujo n LEU 34 CO 0.49 -0.65 0.21 1.23 -1.22 0.00 0.00 177.39 177.45 1ujo h GLY 35 N 0.00 -0.29 -0.24 -0.72 0.00 -1.73 -3.07 103.07 97.03 1ujo h GLY 35 Ca -0.28 0.11 0.04 0.00 0.00 0.00 0.00 47.33 47.19 1ujo h GLY 35 CO 0.40 -0.10 -0.51 -2.75 0.00 0.00 0.00 176.54 173.57 1ujo h PHE 36 N -0.56 -1.54 -0.89 5.60 3.57 -1.85 0.19 116.94 121.44 1ujo h PHE 36 Ca -0.03 0.07 0.09 0.00 3.53 0.00 0.00 57.97 61.63 1ujo h PHE 36 Cb 0.21 0.71 -0.11 0.00 2.79 0.00 0.00 35.95 39.54 1ujo h PHE 36 CO 0.05 -0.48 -0.49 0.94 -2.23 0.00 0.00 178.31 176.09 1ujo n GLN 37 N -5.20 -0.36 -0.03 1.11 0.00 -1.26 0.72 117.38 112.36 1ujo n GLN 37 Ca -0.05 1.35 -0.09 0.00 -0.00 0.00 0.00 57.00 58.22 1ujo n GLN 37 Cb 0.33 -1.99 -0.03 0.00 0.00 0.00 0.00 30.24 28.55 1ujo n GLN 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1ujo h VAL 38 N 0.00 0.79 -1.07 1.69 2.07 -1.24 0.97 116.25 119.46 1ujo h VAL 38 Ca 0.17 0.00 0.31 0.00 0.82 0.00 0.00 66.70 68.01 1ujo h VAL 38 Cb 0.40 0.79 -0.13 0.00 -1.52 0.00 0.00 31.29 30.83 1ujo h VAL 38 CO -0.85 0.00 0.65 -0.25 0.02 0.00 0.00 177.57 177.15 1ujo h TRP 39 N -0.02 0.79 -1.81 1.57 7.01 0.34 0.52 115.95 124.35 1ujo h TRP 39 Ca 0.09 0.03 -0.66 0.00 2.11 0.00 0.00 58.89 60.47 1ujo h TRP 39 Cb 0.16 -0.22 -0.37 0.00 -2.10 0.00 0.00 29.16 26.63 1ujo h TRP 39 CO -0.22 -0.07 -0.09 1.28 -2.79 0.00 0.00 178.44 176.55 1ujo n LEU 40 N -4.84 5.66 -0.02 0.65 4.77 0.92 -4.65 117.00 119.49 1ujo n LEU 40 Ca 0.30 -5.19 -0.05 0.00 -0.03 0.00 0.00 56.01 51.04 1ujo n LEU 40 Cb 0.99 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 1ujo n LEU 40 CO 0.17 2.11 -0.36 1.17 -1.33 0.00 0.00 177.39 179.15 1ujo n LYS 41 N -0.43 0.24 -0.38 3.23 4.81 0.18 -4.69 118.16 121.12 1ujo n LYS 41 Ca 0.43 0.09 0.01 0.00 -0.87 0.00 0.00 58.31 57.97 1ujo n LYS 41 Cb 0.47 -0.91 0.07 0.00 0.02 0.00 0.00 35.03 34.68 1ujo n LYS 41 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1ujo h ASN 42 N -0.44 -1.30 0.00 3.14 4.21 -1.83 -3.44 115.58 115.92 1ujo h ASN 42 Ca -0.03 0.31 0.00 0.00 1.21 0.00 0.00 56.30 57.79 1ujo h ASN 42 Cb 0.52 0.72 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 1ujo h ASN 42 CO -0.02 -0.30 0.00 0.61 -1.29 0.00 0.00 177.43 176.43 1ujo n GLY 43 N -1.52 2.03 0.41 2.83 0.00 -1.26 -4.46 105.19 103.22 1ujo n GLY 43 Ca 0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 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 0.11 -0.26 1.61 2.07 -1.91 1.42 116.25 119.29 1ujo h VAL 44 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 1ujo h VAL 44 Cb 0.00 0.11 -0.06 0.00 -1.52 0.00 0.00 31.29 29.82 1ujo h VAL 44 CO 0.00 0.00 -0.14 0.40 0.02 0.00 0.00 177.57 177.85 1ujo h ILE 45 N -0.47 0.58 -0.60 4.57 2.04 -1.92 0.50 117.51 122.22 1ujo h ILE 45 Ca 0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1ujo h ILE 45 Cb 0.62 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 37.22 1ujo h ILE 45 CO -0.45 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 177.90 1ujo h LEU 46 N -0.11 0.33 -1.34 1.44 3.38 -1.53 0.18 115.31 117.67 1ujo h LEU 46 Ca 0.14 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 1ujo h LEU 46 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1ujo h LEU 46 CO -0.33 0.21 0.19 0.77 0.09 0.00 0.00 178.44 179.37 1ujo h SER 47 N 0.49 0.58 -0.05 -0.43 4.64 0.35 -1.93 113.55 117.20 1ujo h SER 47 Ca 0.29 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 1ujo h SER 47 Cb 0.28 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1ujo h SER 47 CO -0.24 0.52 0.00 0.11 -0.87 0.00 0.00 176.83 176.35 1ujo h LYS 48 N 0.64 0.10 0.00 4.77 1.57 0.23 -1.24 116.57 122.64 1ujo h LYS 48 Ca 0.16 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1ujo h LYS 48 Cb 0.11 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1ujo h LYS 48 CO -0.02 0.37 0.00 -0.11 -0.57 0.00 0.00 179.45 179.12 1ujo n LEU 49 N -4.88 0.00 -0.34 2.94 7.94 0.40 0.50 117.00 123.56 1ujo n LEU 49 Ca -0.07 0.94 0.04 0.00 -1.11 0.00 0.00 56.01 55.81 1ujo n LEU 49 Cb 0.18 -0.44 0.12 0.00 0.53 0.00 0.00 43.42 43.81 1ujo n LEU 49 CO 0.34 -0.44 0.66 1.62 -1.11 0.00 0.00 177.39 178.46 1ujo h VAL 50 N 0.00 0.05 -0.17 1.96 3.04 -1.45 0.69 116.25 120.36 1ujo h VAL 50 Ca 0.00 0.00 0.05 0.00 -1.01 0.00 0.00 66.70 65.74 1ujo h VAL 50 Cb 0.00 0.05 -0.07 0.00 -2.01 0.00 0.00 31.29 29.26 1ujo h VAL 50 CO 0.00 0.00 -0.28 0.78 -1.01 0.00 0.00 177.57 177.06 1ujo h ASN 51 N -0.00 -0.89 -0.84 3.17 2.35 -0.66 -0.65 115.58 118.06 1ujo h ASN 51 Ca 0.44 0.14 0.17 0.00 -0.55 0.00 0.00 56.30 56.50 1ujo h ASN 51 Cb 0.68 0.39 -0.16 0.00 0.05 0.00 0.00 38.32 39.28 1ujo h ASN 51 CO -0.98 -0.32 -0.21 0.77 -1.65 0.00 0.00 177.43 175.05 1ujo h SER 52 N -0.33 -0.77 0.22 5.81 4.64 0.56 -1.31 113.55 122.36 1ujo h SER 52 Ca 0.11 0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 1ujo h SER 52 Cb 0.50 0.52 -0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1ujo h SER 52 CO -0.36 -0.28 -0.16 -0.07 -0.87 0.00 0.00 176.83 175.09 1ujo h LEU 53 N 0.00 -0.43 -9.39 5.97 3.38 -0.34 -3.43 115.31 111.07 1ujo h LEU 53 Ca 0.41 0.03 -0.58 0.00 0.09 0.00 0.00 57.88 57.82 1ujo h LEU 53 Cb 0.62 0.13 0.18 0.00 0.09 0.00 0.00 40.66 41.68 1ujo h LEU 53 CO -0.86 -0.23 -0.63 -1.22 0.09 0.00 0.00 178.44 175.58 1ujo n TYR 54 N -3.28 -1.40 -0.69 1.13 4.01 -0.50 -4.74 117.16 111.70 1ujo n TYR 54 Ca -0.04 0.41 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 1ujo n TYR 54 Cb 0.16 -1.86 0.00 0.00 -0.31 0.00 0.00 39.34 37.32 1ujo n TYR 54 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ujo n PRO 55 N 0.29 -0.36 0.08 -0.72 -0.04 -1.26 -4.88 135.00 128.10 1ujo n PRO 55 Ca 0.10 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 1ujo n PRO 55 Cb 0.48 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.80 1ujo n PRO 55 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ujo h GLU 56 N 0.00 0.21 -1.65 0.54 5.08 -1.93 -3.28 114.58 113.54 1ujo h GLU 56 Ca 0.00 -0.36 -0.26 0.00 -1.00 0.00 0.00 59.36 57.74 1ujo h GLU 56 Cb 0.00 0.13 -0.11 0.00 0.50 0.00 0.00 28.75 29.27 1ujo h GLU 56 CO 0.00 1.12 0.32 0.41 -1.00 0.00 0.00 179.01 179.86 1ujo n GLY 57 N 1.54 3.77 1.78 -3.84 0.00 -1.26 -4.21 105.19 102.98 1ujo n GLY 57 Ca -0.10 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1ujo n GLY 57 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ujo n SER 58 N 0.65 0.00 -3.39 1.61 2.88 -1.24 -5.09 113.62 109.04 1ujo n SER 58 Ca 0.25 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.55 1ujo n SER 58 Cb 0.57 0.06 0.02 0.00 -0.75 0.00 0.00 64.21 64.11 1ujo n SER 58 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1ujo n LYS 59 N -2.34 -1.26 0.02 -1.46 4.01 -1.24 -4.91 118.16 111.00 1ujo n LYS 59 Ca 0.00 1.15 -0.10 0.00 -0.51 0.00 0.00 58.31 58.86 1ujo n LYS 59 Cb 0.00 -1.58 -0.08 0.00 -0.51 0.00 0.00 35.03 32.86 1ujo n LYS 59 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 1ujo h PRO 60 N 2.70 -0.14 -6.60 1.97 0.13 -1.94 -3.46 132.00 124.65 1ujo h PRO 60 Ca -0.35 0.01 -0.46 0.00 -0.87 0.00 0.00 66.00 64.33 1ujo h PRO 60 Cb 1.25 0.03 0.02 0.00 0.13 0.00 0.00 31.00 32.43 1ujo h PRO 60 CO 0.14 0.33 -0.15 0.08 -0.23 0.00 0.00 178.00 178.17 1ujo s VAL 61 N -2.98 4.42 -0.11 1.56 1.01 -1.26 -5.04 120.40 118.00 1ujo s VAL 61 Ca -0.12 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1ujo s VAL 61 Cb -0.00 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1ujo s VAL 61 CO 0.45 -0.41 -0.11 -0.75 0.00 0.00 0.00 175.10 174.28 1ujo s LYS 62 N -4.43 3.23 -0.32 2.72 2.47 -1.26 -5.01 119.74 117.13 1ujo s LYS 62 Ca 0.45 -0.65 -0.03 0.00 -1.56 0.00 0.00 55.97 54.18 1ujo s LYS 62 Cb -0.10 -2.63 0.05 0.00 -1.46 0.00 0.00 37.83 33.69 1ujo s LYS 62 CO 0.37 0.33 0.05 0.08 0.16 0.00 0.00 175.35 176.34 1ujo s VAL 63 N 0.07 3.29 1.12 4.02 1.01 -1.26 -5.04 120.40 123.60 1ujo s VAL 63 Ca -0.04 -1.36 -0.19 0.00 0.00 0.00 0.00 61.98 60.39 1ujo s VAL 63 Cb -0.14 -2.91 0.27 0.00 0.00 0.00 0.00 36.38 33.59 1ujo s VAL 63 CO 0.04 -0.18 1.24 -2.16 0.00 0.00 0.00 175.10 174.03 1ujo s PRO 64 N 1.29 -0.62 -0.02 2.72 0.04 -1.26 -5.01 135.00 132.15 1ujo s PRO 64 Ca -0.03 -0.37 -0.22 0.00 0.04 0.00 0.00 61.00 60.42 1ujo s PRO 64 Cb -0.20 -1.69 -0.14 0.00 0.04 0.00 0.00 34.50 32.50 1ujo s PRO 64 CO -0.00 -3.26 1.00 1.49 0.04 0.00 0.00 177.00 176.26 1ujo h GLU 65 N -2.25 -0.44 -6.43 4.56 4.81 -2.07 -3.45 114.58 109.30 1ujo h GLU 65 Ca -0.43 0.03 -0.63 0.00 -0.13 0.00 0.00 59.36 58.20 1ujo h GLU 65 Cb 1.25 0.10 -0.13 0.00 0.63 0.00 0.00 28.75 30.60 1ujo h GLU 65 CO 0.30 -0.12 -0.70 0.54 -0.73 0.00 0.00 179.01 178.30 1ujo s ASN 66 N -5.07 4.59 0.30 1.04 2.20 -1.26 -5.11 114.94 111.62 1ujo s ASN 66 Ca -0.12 -0.40 -0.29 0.00 -0.94 0.00 0.00 52.86 51.11 1ujo s ASN 66 Cb 0.01 -0.93 -0.09 0.00 -2.00 0.00 0.00 41.25 38.24 1ujo s ASN 66 CO 0.45 0.13 1.08 -2.16 -2.94 0.00 0.00 177.10 173.65 1ujo s PRO 67 N -2.61 4.58 1.01 3.55 0.04 -1.26 -5.05 135.00 135.25 1ujo s PRO 67 Ca 0.25 1.73 -0.17 0.00 0.04 0.00 0.00 61.00 62.85 1ujo s PRO 67 Cb -0.10 -3.08 0.24 0.00 0.04 0.00 0.00 34.50 31.60 1ujo s PRO 67 CO 0.16 0.18 1.11 -0.35 0.04 0.00 0.00 177.00 178.14 1ujo n PRO 68 N 1.00 -2.06 0.00 0.56 -0.04 -1.26 -5.04 135.00 128.16 1ujo n PRO 68 Ca -0.00 -1.74 0.00 0.00 -0.04 0.00 0.00 63.50 61.72 1ujo n PRO 68 Cb 0.46 -1.37 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 1ujo n PRO 68 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1ujo n SER 69 N -4.24 0.72 -4.09 3.54 3.41 -1.26 -4.91 113.62 106.79 1ujo n SER 69 Ca 0.15 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.40 1ujo n SER 69 Cb 0.53 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.54 1ujo n SER 69 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1ujo n MET 70 N -2.40 -0.10 0.08 4.33 2.81 -1.26 -4.71 117.12 115.87 1ujo n MET 70 Ca 0.00 -0.02 -0.04 0.00 -1.81 0.00 0.00 57.70 55.83 1ujo n MET 70 Cb 0.22 -1.19 -0.02 0.00 -0.71 0.00 0.00 33.22 31.52 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 -1.14 0.00 -0.91 2.03 2.07 -1.98 -2.37 116.25 113.94 1ujo h VAL 71 Ca -0.44 -0.34 0.17 0.00 0.82 0.00 0.00 66.70 66.92 1ujo h VAL 71 Cb 1.31 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.91 1ujo h VAL 71 CO 0.25 0.00 -0.27 0.49 0.02 0.00 0.00 177.57 178.07 1ujo n PHE 72 N -3.60 0.23 0.05 1.57 3.01 -1.26 0.59 117.46 118.06 1ujo n PHE 72 Ca -0.03 1.12 -0.03 0.00 1.01 0.00 0.00 57.45 59.52 1ujo n PHE 72 Cb 0.10 -0.97 -0.01 0.00 -0.01 0.00 0.00 39.48 38.58 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 -0.15 -0.89 -1.08 1.79 -1.93 0.59 116.57 114.90 1ujo h LYS 73 Ca 0.40 0.01 0.11 0.00 -2.18 0.00 0.00 60.65 58.99 1ujo h LYS 73 Cb 0.63 0.03 -0.13 0.00 -1.58 0.00 0.00 32.23 31.18 1ujo h LYS 73 CO -0.93 -0.10 -0.48 1.96 -1.08 0.00 0.00 179.45 178.83 1ujo h GLN 74 N -0.15 -0.06 -0.14 3.15 4.20 -0.55 0.33 115.11 121.89 1ujo h GLN 74 Ca -0.01 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.75 1ujo h GLN 74 Cb 0.12 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.86 1ujo h GLN 74 CO 0.01 -0.04 -0.20 0.52 -0.67 0.00 0.00 178.83 178.45 1ujo h MET 75 N -0.06 -0.24 -0.26 1.46 2.86 0.24 -2.33 114.93 116.60 1ujo h MET 75 Ca 0.24 0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.96 1ujo h MET 75 Cb 0.52 0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.16 1ujo h MET 75 CO -0.90 -0.16 -0.27 0.93 1.06 0.00 0.00 176.91 177.57 1ujo h GLU 76 N -0.25 -0.26 -0.99 1.72 4.39 0.30 0.47 114.58 119.97 1ujo h GLU 76 Ca 0.10 0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.93 1ujo h GLU 76 Cb 0.40 0.06 -0.13 0.00 -0.10 0.00 0.00 28.75 28.98 1ujo h GLU 76 CO -0.29 -0.17 -0.53 0.37 -1.16 0.00 0.00 179.01 177.23 1ujo h GLN 77 N -0.27 -0.01 0.66 2.33 5.75 0.05 0.95 115.11 124.58 1ujo h GLN 77 Ca 0.14 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.61 1ujo h GLN 77 Cb 0.49 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.04 1ujo h GLN 77 CO -0.42 -0.01 -0.40 0.28 -2.65 0.00 0.00 178.83 175.64 1ujo h VAL 78 N -0.01 0.19 -0.87 2.39 2.07 -1.09 -2.17 116.25 116.76 1ujo h VAL 78 Ca 0.21 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.89 1ujo h VAL 78 Cb 0.47 0.19 -0.16 0.00 -1.52 0.00 0.00 31.29 30.27 1ujo h VAL 78 CO -0.95 0.00 -0.28 0.00 0.02 0.00 0.00 177.57 176.36 1ujo h ALA 79 N -0.74 0.38 -0.58 1.67 0.00 0.11 0.85 119.26 120.94 1ujo h ALA 79 Ca -0.08 0.30 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1ujo h ALA 79 Cb 0.80 0.78 -0.10 0.00 0.00 0.00 0.00 17.79 19.27 1ujo h ALA 79 CO 0.09 -0.50 -0.06 1.96 0.00 0.00 0.00 179.25 180.74 1ujo h GLN 80 N -0.03 0.06 -0.31 0.00 4.20 0.12 0.23 115.11 119.39 1ujo h GLN 80 Ca 0.37 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.03 1ujo h GLN 80 Cb 0.62 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1ujo h GLN 80 CO -0.90 0.04 -0.01 0.35 -0.67 0.00 0.00 178.83 177.65 1ujo h PHE 81 N 0.07 0.60 -0.06 2.96 3.57 0.99 -2.42 116.94 122.64 1ujo h PHE 81 Ca 0.29 -0.11 0.02 0.00 3.53 0.00 0.00 57.97 61.70 1ujo h PHE 81 Cb 0.46 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.00 1ujo h PHE 81 CO -0.40 0.68 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.89 1ujo h LEU 82 N 0.34 -1.27 -0.77 0.59 3.38 0.16 1.53 115.31 119.27 1ujo h LEU 82 Ca 0.09 0.15 0.18 0.00 0.09 0.00 0.00 57.88 58.38 1ujo h LEU 82 Cb 0.45 0.49 -0.12 0.00 0.09 0.00 0.00 40.66 41.57 1ujo h LEU 82 CO 0.02 -0.37 0.17 0.50 0.09 0.00 0.00 178.44 178.84 1ujo h LYS 83 N -0.46 0.23 -0.38 1.13 1.63 -1.03 0.35 116.57 118.04 1ujo h LYS 83 Ca 0.02 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ujo h LYS 83 Cb 0.52 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 1ujo h LYS 83 CO -0.30 0.15 0.23 0.00 -3.45 0.00 0.00 179.45 176.08 1ujo h ALA 84 N 1.66 0.49 -0.63 5.00 0.00 -0.52 -2.36 119.26 122.90 1ujo h ALA 84 Ca 0.44 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.42 1ujo h ALA 84 Cb 0.80 -0.15 -0.12 0.00 0.00 0.00 0.00 17.79 18.31 1ujo h ALA 84 CO -0.56 -0.01 -0.25 0.00 0.00 0.00 0.00 179.25 178.43 1ujo h ALA 85 N 1.10 0.21 0.19 0.00 0.00 0.62 -0.18 119.26 121.19 1ujo h ALA 85 Ca 0.14 0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.28 1ujo h ALA 85 Cb 0.01 0.64 -0.04 0.00 0.00 0.00 0.00 17.79 18.40 1ujo h ALA 85 CO -0.03 -0.54 -0.35 1.49 0.00 0.00 0.00 179.25 179.83 1ujo h GLU 86 N -0.08 -0.60 -0.97 0.00 4.22 -0.89 -1.29 114.58 114.97 1ujo h GLU 86 Ca 0.28 0.04 0.31 0.00 0.08 0.00 0.00 59.36 60.07 1ujo h GLU 86 Cb 0.52 0.14 -0.17 0.00 0.50 0.00 0.00 28.75 29.74 1ujo h GLU 86 CO -0.68 -0.40 0.25 -0.44 -2.18 0.00 0.00 179.01 175.56 1ujo h ASP 87 N -0.62 -0.08 -0.30 1.04 5.19 -0.58 0.62 116.42 121.68 1ujo h ASP 87 Ca 0.01 0.25 0.07 0.00 -0.62 0.00 0.00 57.03 56.74 1ujo h ASP 87 Cb 0.62 0.35 -0.07 0.00 0.18 0.00 0.00 39.33 40.41 1ujo h ASP 87 CO -0.16 -0.32 -0.21 0.22 -3.12 0.00 0.00 179.24 175.65 1ujo h TYR 88 N 0.08 -0.55 0.00 4.55 3.20 -0.01 -3.45 116.97 120.79 1ujo h TYR 88 Ca 0.66 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.57 1ujo h TYR 88 Cb 1.50 0.29 0.00 0.00 1.54 0.00 0.00 36.73 40.06 1ujo h TYR 88 CO -0.28 -0.29 0.00 0.41 -1.64 0.00 0.00 178.16 176.36 1ujo n GLY 89 N -1.37 0.00 3.75 1.82 0.00 0.21 -5.11 105.19 104.50 1ujo n GLY 89 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 4.90 0.96 1.61 1.01 -1.06 -4.98 120.40 122.84 1ujo s VAL 90 Ca 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.84 1ujo s VAL 90 Cb 0.00 -3.13 0.17 0.00 0.00 0.00 0.00 36.38 33.42 1ujo s VAL 90 CO 0.00 0.58 1.09 0.27 0.00 0.00 0.00 175.10 177.04 1ujo s ILE 91 N -0.65 2.29 -2.17 2.22 -4.36 -1.26 -4.66 121.20 112.61 1ujo s ILE 91 Ca 0.12 0.09 0.29 0.00 -0.26 0.00 0.00 60.65 60.89 1ujo s ILE 91 Cb -0.12 -2.57 0.63 0.00 1.25 0.00 0.00 42.46 41.65 1ujo s ILE 91 CO 0.02 -0.12 1.90 0.29 0.24 0.00 0.00 174.94 177.27 1ujo n LYS 92 N -4.09 1.26 0.00 0.37 5.02 -1.26 -3.11 118.16 116.35 1ujo n LYS 92 Ca 0.06 -0.53 0.10 0.00 -2.02 0.00 0.00 58.31 55.92 1ujo n LYS 92 Cb 0.56 -1.49 -0.11 0.00 -0.02 0.00 0.00 35.03 33.97 1ujo n LYS 92 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ujo n THR 93 N -0.41 0.00 -0.01 -0.18 -1.04 -1.26 -4.16 114.28 107.22 1ujo n THR 93 Ca 0.19 -0.03 0.09 0.00 -2.04 0.00 0.00 64.05 62.27 1ujo n THR 93 Cb 0.27 1.01 -0.15 0.00 -1.82 0.00 0.00 70.33 69.64 1ujo n THR 93 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1ujo n ASP 94 N -1.41 0.55 -4.81 8.00 8.00 -1.18 -4.97 116.55 120.73 1ujo n ASP 94 Ca 0.04 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.22 1ujo n ASP 94 Cb 0.33 1.85 0.01 0.00 -0.02 0.00 0.00 41.12 43.29 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1ujo s MET 95 N -3.32 3.34 0.41 -1.24 -1.94 -1.19 -0.56 119.30 114.80 1ujo s MET 95 Ca -0.07 1.16 0.03 0.00 -1.71 0.00 0.00 55.69 55.11 1ujo s MET 95 Cb 0.12 -2.04 -0.04 0.00 2.01 0.00 0.00 34.83 34.89 1ujo s MET 95 CO 0.81 -0.79 0.08 -0.59 -0.01 0.00 0.00 175.02 174.51 1ujo s PHE 96 N -2.51 1.90 -0.08 -0.03 -0.12 -1.26 -4.91 117.98 110.97 1ujo s PHE 96 Ca 0.63 -1.09 -0.18 0.00 -0.05 0.00 0.00 56.93 56.24 1ujo s PHE 96 Cb -0.15 -1.33 -0.05 0.00 -0.63 0.00 0.00 43.02 40.86 1ujo s PHE 96 CO 0.38 -0.05 0.50 -0.65 -0.05 0.00 0.00 175.22 175.35 1ujo s GLN 97 N -3.79 4.29 0.38 1.99 -0.21 -1.26 -4.94 119.66 116.13 1ujo s GLN 97 Ca 0.24 0.52 0.26 0.00 0.02 0.00 0.00 55.36 56.40 1ujo s GLN 97 Cb 0.04 -3.39 1.34 0.00 1.00 0.00 0.00 33.01 32.00 1ujo s GLN 97 CO 0.13 0.25 1.47 2.41 -2.12 0.00 0.00 175.29 177.43 1ujo n THR 98 N 3.29 -0.30 0.04 -0.19 -1.04 -1.26 0.18 114.28 114.99 1ujo n THR 98 Ca -0.08 1.78 -0.13 0.00 -2.04 0.00 0.00 64.05 63.58 1ujo n THR 98 Cb 0.52 -2.90 -0.09 0.00 -1.82 0.00 0.00 70.33 66.04 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 1.11 -1.88 12.58 3.04 -1.95 1.14 116.25 130.29 1ujo h VAL 99 Ca 0.81 -0.97 0.56 0.00 -1.01 0.00 0.00 66.70 66.09 1ujo h VAL 99 Cb 2.42 1.71 -0.09 0.00 -2.01 0.00 0.00 31.29 33.32 1ujo h VAL 99 CO -0.56 0.23 1.33 0.47 -1.01 0.00 0.00 177.57 178.03 1ujo n ASP 100 N -4.94 0.04 -0.05 3.17 8.00 0.47 0.19 116.55 123.43 1ujo n ASP 100 Ca -0.09 1.06 -0.05 0.00 0.71 0.00 0.00 54.79 56.43 1ujo n ASP 100 Cb 0.25 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.80 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 -4.06 1.01 -0.30 0.64 7.94 -0.93 -1.98 117.00 119.32 1ujo n LEU 101 Ca 0.44 0.19 0.06 0.00 -1.11 0.00 0.00 56.01 55.59 1ujo n LEU 101 Cb 1.94 -0.63 0.16 0.00 0.53 0.00 0.00 43.42 45.43 1ujo n LEU 101 CO 0.40 -0.39 0.75 0.22 -1.11 0.00 0.00 177.39 177.27 1ujo h TYR 102 N -0.52 -0.25 0.06 1.96 3.20 0.22 0.12 116.97 121.76 1ujo h TYR 102 Ca 0.00 0.07 -0.30 0.00 3.14 0.00 0.00 58.73 61.64 1ujo h TYR 102 Cb 0.51 0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 1ujo h TYR 102 CO -0.22 -0.35 -1.66 0.93 -1.64 0.00 0.00 178.16 175.23 1ujo h GLU 103 N 0.03 0.13 0.00 1.82 4.39 0.19 -3.49 114.58 117.65 1ujo h GLU 103 Ca 0.46 -0.22 0.00 0.00 0.34 0.00 0.00 59.36 59.94 1ujo h GLU 103 Cb 0.79 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 1ujo h GLU 103 CO -0.83 0.87 0.00 0.41 -1.16 0.00 0.00 179.01 178.30 1ujo n GLY 104 N 1.66 0.72 0.45 -3.84 0.00 0.03 -4.99 105.19 99.23 1ujo n GLY 104 Ca -0.18 -0.43 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 0.40 -0.73 -4.36 1.61 1.57 -1.49 -3.35 116.57 110.22 1ujo h LYS 105 Ca 0.00 0.05 -0.65 0.00 -1.87 0.00 0.00 60.65 58.18 1ujo h LYS 105 Cb 0.00 0.17 -0.40 0.00 0.08 0.00 0.00 32.23 32.07 1ujo h LYS 105 CO 0.00 -0.49 -0.70 0.34 -0.57 0.00 0.00 179.45 178.03 1ujo s ASP 106 N -4.63 4.63 0.00 0.86 -1.08 -1.08 -4.95 116.67 110.43 1ujo s ASP 106 Ca -0.17 -2.32 -0.18 0.00 -0.52 0.00 0.00 52.55 49.36 1ujo s ASP 106 Cb 0.06 -1.59 -0.32 0.00 -1.46 0.00 0.00 42.92 39.61 1ujo s ASP 106 CO 0.62 -0.35 0.99 -0.03 0.52 0.00 0.00 175.17 176.92 1ujo h MET 107 N 7.39 0.46 -1.10 4.34 1.85 -1.70 -3.19 114.93 122.99 1ujo h MET 107 Ca -0.05 -0.73 0.31 0.00 -0.61 0.00 0.00 59.70 58.63 1ujo h MET 107 Cb 0.99 0.26 -0.12 0.00 0.43 0.00 0.00 31.60 33.17 1ujo h MET 107 CO 0.55 1.34 0.69 0.00 -0.40 0.00 0.00 176.91 179.08 1ujo h ALA 108 N 0.16 2.25 0.15 0.39 0.00 -1.93 0.32 119.26 120.61 1ujo h ALA 108 Ca -0.19 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ujo h ALA 108 Cb 1.87 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.75 1ujo h ALA 108 CO 0.21 -0.76 -0.07 0.00 0.00 0.00 0.00 179.25 178.63 1ujo h ALA 109 N 1.67 -0.20 -1.59 0.00 0.00 -1.95 -2.65 119.26 114.54 1ujo h ALA 109 Ca 0.68 -0.20 0.51 0.00 0.00 0.00 0.00 54.91 55.89 1ujo h ALA 109 Cb 1.76 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 19.52 1ujo h ALA 109 CO -0.40 -0.40 1.08 0.28 0.00 0.00 0.00 179.25 179.81 1ujo n VAL 110 N -4.99 -0.15 -0.01 0.00 0.31 0.11 0.15 118.33 113.75 1ujo n VAL 110 Ca -0.09 1.64 -0.12 0.00 -0.01 0.00 0.00 64.34 65.77 1ujo n VAL 110 Cb 0.24 -2.71 -0.10 0.00 -0.91 0.00 0.00 33.84 30.37 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 -0.07 -1.55 5.55 4.20 -1.18 -3.20 115.11 118.86 1ujo h GLN 111 Ca 0.89 0.00 0.50 0.00 0.06 0.00 0.00 58.65 60.10 1ujo h GLN 111 Cb 3.16 0.02 -0.12 0.00 0.30 0.00 0.00 27.48 30.84 1ujo h GLN 111 CO -0.28 0.54 1.04 -0.09 -0.67 0.00 0.00 178.83 179.37 1ujo h ARG 112 N -0.83 0.02 0.06 1.46 2.43 0.18 0.44 114.38 118.14 1ujo h ARG 112 Ca -0.01 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1ujo h ARG 112 Cb 0.64 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1ujo h ARG 112 CO 0.01 0.01 -0.03 1.15 -1.51 0.00 0.00 179.97 179.61 1ujo h THR 113 N 0.02 0.00 -0.73 0.20 2.02 -0.16 -2.99 112.91 111.27 1ujo h THR 113 Ca 0.88 -0.04 0.16 0.00 0.77 0.00 0.00 66.41 68.19 1ujo h THR 113 Cb 3.06 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 69.34 1ujo h THR 113 CO -0.31 0.00 0.00 -0.07 0.37 0.00 0.00 175.52 175.51 1ujo h LEU 114 N -0.12 -0.34 -1.00 2.58 3.38 -1.02 0.52 115.31 119.32 1ujo h LEU 114 Ca -0.01 0.19 0.34 0.00 0.09 0.00 0.00 57.88 58.49 1ujo h LEU 114 Cb 0.06 0.33 -0.16 0.00 0.09 0.00 0.00 40.66 40.98 1ujo h LEU 114 CO 0.01 -0.17 0.55 0.24 0.09 0.00 0.00 178.44 179.17 1ujo h MET 115 N 0.11 0.23 0.08 1.13 2.86 -0.29 1.03 114.93 120.08 1ujo h MET 115 Ca 0.39 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.91 1ujo h MET 115 Cb 0.68 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 32.30 1ujo h MET 115 CO -0.64 0.15 -0.46 0.00 1.06 0.00 0.00 176.91 177.03 1ujo h ALA 116 N 1.89 -0.05 -0.07 6.32 0.00 0.08 -3.19 119.26 124.24 1ujo h ALA 116 Ca 0.76 -0.62 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1ujo h ALA 116 Cb 1.80 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.59 1ujo h ALA 116 CO -0.65 0.21 -0.36 1.25 0.00 0.00 0.00 179.25 179.71 1ujo h LEU 117 N -0.65 -1.10 -0.01 0.00 5.85 0.17 0.20 115.31 119.76 1ujo h LEU 117 Ca -0.08 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1ujo h LEU 117 Cb 1.36 0.45 -0.00 0.00 0.37 0.00 0.00 40.66 42.84 1ujo h LEU 117 CO 0.08 -0.40 -0.01 1.23 -0.34 0.00 0.00 178.44 179.00 1ujo h GLY 118 N -0.47 -1.94 -0.42 3.75 0.00 0.78 0.38 103.07 105.15 1ujo h GLY 118 Ca 0.07 0.84 0.25 0.00 0.00 0.00 0.00 47.33 48.49 1ujo h GLY 118 CO -0.34 -0.74 0.33 0.23 0.00 0.00 0.00 176.54 176.03 1ujo h SER 119 N -0.01 0.15 -0.61 0.19 0.87 -1.50 0.93 113.55 113.58 1ujo h SER 119 Ca 0.00 0.19 0.07 0.00 -1.23 0.00 0.00 61.79 60.82 1ujo h SER 119 Cb 0.01 0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 1ujo h SER 119 CO -0.01 -0.13 0.30 -0.07 -0.53 0.00 0.00 176.83 176.39 1ujo h LEU 120 N 0.26 0.41 -0.86 2.23 3.38 0.12 0.20 115.31 121.05 1ujo h LEU 120 Ca 0.59 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.48 1ujo h LEU 120 Cb 1.21 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1ujo h LEU 120 CO -0.63 0.26 -0.48 0.00 0.09 0.00 0.00 178.44 177.69 1ujo h ALA 121 N 1.35 1.03 -0.66 1.53 0.00 0.47 -1.96 119.26 121.03 1ujo h ALA 121 Ca 0.28 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1ujo h ALA 121 Cb 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1ujo h ALA 121 CO -0.21 0.64 0.23 0.28 0.00 0.00 0.00 179.25 180.18 1ujo h VAL 122 N 0.18 1.24 0.29 0.00 2.07 0.20 -2.04 116.25 118.19 1ujo h VAL 122 Ca 0.01 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1ujo h VAL 122 Cb 0.91 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1ujo h VAL 122 CO 0.07 0.31 -0.14 0.74 0.02 0.00 0.00 177.57 178.58 1ujo h THR 123 N 0.96 0.00 0.00 2.57 2.02 -0.38 -3.37 112.91 114.71 1ujo h THR 123 Ca 0.22 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1ujo h THR 123 Cb 0.24 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1ujo h THR 123 CO -0.01 0.00 0.00 0.29 0.37 0.00 0.00 175.52 176.17 1ujo n LYS 124 N -3.76 0.00 -2.93 6.66 5.02 -0.77 -4.90 118.16 117.48 1ujo n LYS 124 Ca -0.05 0.60 -0.01 0.00 -2.02 0.00 0.00 58.31 56.83 1ujo n LYS 124 Cb 0.15 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 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 -1.53 -7.39 0.07 4.39 5.15 -0.77 -4.99 115.26 110.19 1ujo n ASN 125 Ca 0.00 0.96 0.00 0.00 -0.60 0.00 0.00 54.58 54.94 1ujo n ASN 125 Cb 0.00 -3.73 0.00 0.00 -0.53 0.00 0.00 39.78 35.52 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 0.89 0.32 -2.59 1.20 -0.08 -1.26 -5.02 116.55 110.02 1ujo n ASP 126 Ca 0.00 0.23 -0.04 0.00 -1.51 0.00 0.00 54.79 53.47 1ujo n ASP 126 Cb 0.23 0.03 0.02 0.00 2.34 0.00 0.00 41.12 43.74 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 2.41 -0.27 1.80 0.27 0.00 -1.26 -5.00 105.19 103.14 1ujo n GLY 127 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.53 0.00 -4.68 1.61 3.02 -1.26 -4.99 115.26 108.43 1ujo n ASN 128 Ca -0.21 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 53.92 1ujo n ASN 128 Cb 0.68 0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 40.02 1ujo n ASN 128 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1ujo s TYR 129 N -1.90 2.39 -0.34 3.10 6.14 -1.26 -4.83 117.35 120.65 1ujo s TYR 129 Ca 0.00 0.45 0.12 0.00 0.64 0.00 0.00 57.07 58.28 1ujo s TYR 129 Cb 0.00 -3.83 0.46 0.00 0.42 0.00 0.00 41.96 39.00 1ujo s TYR 129 CO 0.00 -3.33 1.10 0.54 0.64 0.00 0.00 175.55 174.49 1ujo n ARG 130 N 6.21 2.66 0.00 4.97 5.12 -1.26 -4.91 116.66 129.45 1ujo n ARG 130 Ca 0.16 -3.95 0.00 0.00 -1.93 0.00 0.00 57.85 52.13 1ujo n ARG 130 Cb 0.43 -1.91 0.00 0.00 -1.16 0.00 0.00 32.46 29.81 1ujo n ARG 130 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ujo n GLY 131 N -0.47 5.72 3.51 -0.13 0.00 -1.26 -4.63 105.19 107.92 1ujo n GLY 131 Ca 0.28 -1.59 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 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 3.93 0.00 1.61 2.15 -1.26 -5.05 116.67 119.05 1ujo s ASP 132 Ca 0.00 -0.71 -0.20 0.00 0.43 0.00 0.00 52.55 52.07 1ujo s ASP 132 Cb 0.00 -0.53 -0.22 0.00 -0.30 0.00 0.00 42.92 41.87 1ujo s ASP 132 CO 0.00 0.10 1.13 1.55 -0.17 0.00 0.00 175.17 177.78 1ujo h PRO 133 N 2.96 0.38 -1.04 4.34 0.13 -1.93 -3.17 132.00 133.65 1ujo h PRO 133 Ca -0.46 -0.36 0.27 0.00 -0.87 0.00 0.00 66.00 64.58 1ujo h PRO 133 Cb 1.21 0.09 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 1ujo h PRO 133 CO 0.52 1.03 0.69 -2.95 -0.23 0.00 0.00 178.00 177.06 1ujo h ASN 134 N -0.14 0.34 -0.76 1.44 7.08 -1.96 0.30 115.58 121.89 1ujo h ASN 134 Ca -0.05 0.06 0.15 0.00 -3.08 0.00 0.00 56.30 53.38 1ujo h ASN 134 Cb 1.17 0.01 -0.14 0.00 -2.08 0.00 0.00 38.32 37.27 1ujo h ASN 134 CO 0.09 0.07 -0.23 -0.50 -2.08 0.00 0.00 177.43 174.79 1ujo h TRP 135 N 0.31 -0.54 -1.76 4.14 6.55 -1.98 -3.31 115.95 119.36 1ujo h TRP 135 Ca 0.57 0.07 -0.38 0.00 0.95 0.00 0.00 58.89 60.10 1ujo h TRP 135 Cb 1.62 0.35 -0.28 0.00 -0.86 0.00 0.00 29.16 29.99 1ujo h TRP 135 CO -0.00 -0.35 -0.75 -0.06 -1.05 0.00 0.00 178.44 176.24 1ujo s PHE 136 N -6.19 -0.18 -0.40 0.49 0.40 0.96 -5.02 117.98 108.04 1ujo s PHE 136 Ca -0.14 -1.42 -0.10 0.00 -0.60 0.00 0.00 56.93 54.66 1ujo s PHE 136 Cb 0.21 -0.35 0.06 0.00 0.51 0.00 0.00 43.02 43.45 1ujo s PHE 136 CO 0.74 -1.03 0.24 1.41 0.70 0.00 0.00 175.22 177.29 1ujo s MET 137 N 0.57 2.70 0.46 0.44 1.75 -0.59 -3.47 119.30 121.16 1ujo s MET 137 Ca 0.30 -1.32 0.06 0.00 -1.25 0.00 0.00 55.69 53.48 1ujo s MET 137 Cb -0.00 -3.77 -0.02 0.00 2.84 0.00 0.00 34.83 33.88 1ujo s MET 137 CO -0.12 -0.86 0.27 0.21 -0.65 0.00 0.00 175.02 173.87 1ujo s LYS 138 N 1.48 2.29 0.08 4.11 2.20 -1.26 -5.05 119.74 123.59 1ujo s LYS 138 Ca 0.02 -1.89 0.07 0.00 -0.36 0.00 0.00 55.97 53.81 1ujo s LYS 138 Cb -0.22 -2.06 -0.03 0.00 -1.51 0.00 0.00 37.83 34.02 1ujo s LYS 138 CO 0.04 -0.31 -0.18 -1.12 -0.36 0.00 0.00 175.35 173.43 1ujo s SER 139 N -4.06 2.11 0.31 1.43 0.01 -1.26 -5.11 113.70 107.12 1ujo s SER 139 Ca 0.37 -0.63 0.04 0.00 1.31 0.00 0.00 55.95 57.04 1ujo s SER 139 Cb 0.01 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 1ujo s SER 139 CO 0.22 0.00 0.32 0.61 0.41 0.00 0.00 173.24 174.80 1ujo n GLY 140 N 1.26 2.74 3.74 3.44 0.00 -1.26 -5.14 105.19 109.96 1ujo n GLY 140 Ca -0.20 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.05 4.59 -0.38 1.61 0.04 -1.26 -4.19 135.00 132.35 1ujo s PRO 141 Ca 0.33 1.75 -0.25 0.00 0.04 0.00 0.00 61.00 62.87 1ujo s PRO 141 Cb 0.01 -3.26 0.04 0.00 0.04 0.00 0.00 34.50 31.32 1ujo s PRO 141 CO 0.23 0.07 0.53 0.43 0.04 0.00 0.00 177.00 178.30 1ujo n SER 142 N 2.23 -6.58 -4.25 6.66 7.64 -1.26 -5.00 113.62 113.05 1ujo n SER 142 Ca 0.02 0.24 -0.25 0.00 1.01 0.00 0.00 58.87 59.89 1ujo n SER 142 Cb 0.46 -3.09 -0.14 0.00 -1.01 0.00 0.00 64.21 60.42 1ujo n SER 142 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujo s SER 143 N -1.79 2.47 0.00 6.43 0.01 -1.26 -5.27 113.70 114.30 1ujo s SER 143 Ca 0.27 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.99 1ujo s SER 143 Cb -0.04 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.99 1ujo s SER 143 CO 0.74 0.14 0.00 0.61 0.41 0.00 0.00 173.24 175.15