#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ujo n SER 2 N 0.00 -8.01 -3.66 1.61 7.64 -1.26 -2.98 113.62 106.95 1ujo n SER 2 Ca 0.00 1.64 -0.07 0.00 1.01 0.00 0.00 58.87 61.45 1ujo n SER 2 Cb 0.00 -5.04 -0.08 0.00 -1.01 0.00 0.00 64.21 58.08 1ujo n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1ujo s SER 3 N -6.42 -0.72 0.00 6.43 0.01 -1.26 -4.69 113.70 107.04 1ujo s SER 3 Ca 0.00 1.25 0.00 0.00 1.31 0.00 0.00 55.95 58.51 1ujo s SER 3 Cb 0.00 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.69 1ujo s SER 3 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1ujo n GLY 4 N 4.85 0.85 3.62 3.44 0.00 -1.26 -5.14 105.19 111.56 1ujo n GLY 4 Ca -0.16 -0.77 -0.07 0.00 0.00 0.00 0.00 46.02 45.02 1ujo n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ujo s SER 5 N -2.04 -0.29 -0.63 1.61 0.15 -1.26 -5.09 113.70 106.16 1ujo s SER 5 Ca 0.00 0.45 -0.26 0.00 0.70 0.00 0.00 55.95 56.84 1ujo s SER 5 Cb 0.00 0.42 -0.11 0.00 -1.71 0.00 0.00 66.02 64.62 1ujo s SER 5 CO 0.00 -0.17 2.46 -1.20 1.20 0.00 0.00 173.24 175.53 1ujo n SER 6 N 1.39 1.77 -0.33 5.45 7.64 -1.26 -4.10 113.62 124.18 1ujo n SER 6 Ca -0.10 -0.53 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1ujo n SER 6 Cb 0.57 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1ujo n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ujo n GLY 7 N 6.18 -0.78 3.78 0.23 0.00 -1.26 -4.97 105.19 108.37 1ujo n GLY 7 Ca 0.44 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.16 4.10 0.15 1.61 8.01 -1.26 -4.83 118.70 124.32 1ujo s GLU 8 Ca 0.00 1.61 -0.29 0.00 0.01 0.00 0.00 54.97 56.30 1ujo s GLU 8 Cb 0.00 -2.56 -0.04 0.00 -4.31 0.00 0.00 34.13 27.22 1ujo s GLU 8 CO 0.00 -0.22 1.56 1.49 0.01 0.00 0.00 175.26 178.10 1ujo h GLU 9 N 2.50 -0.33 -0.11 1.61 4.81 -1.81 0.29 114.58 121.54 1ujo h GLU 9 Ca -0.48 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1ujo h GLU 9 Cb 1.22 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.66 1ujo h GLU 9 CO 0.62 -0.22 -0.16 1.25 -0.73 0.00 0.00 179.01 179.76 1ujo h LEU 10 N -0.35 -0.54 -0.78 1.64 6.46 -1.93 -1.24 115.31 118.57 1ujo h LEU 10 Ca 0.12 0.07 0.10 0.00 -0.12 0.00 0.00 57.88 58.05 1ujo h LEU 10 Cb 0.59 0.22 -0.12 0.00 -0.73 0.00 0.00 40.66 40.62 1ujo h LEU 10 CO -0.60 -0.12 -0.46 -0.33 -0.62 0.00 0.00 178.44 176.31 1ujo h GLU 11 N -0.13 -0.12 -0.96 1.25 5.08 -1.80 0.57 114.58 118.48 1ujo h GLU 11 Ca 0.02 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 1ujo h GLU 11 Cb 0.18 0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.30 1ujo h GLU 11 CO -0.17 -0.08 -0.38 0.39 -1.00 0.00 0.00 179.01 177.77 1ujo n GLU 12 N -5.39 -0.23 0.14 2.33 -0.58 0.98 0.75 120.64 118.64 1ujo n GLU 12 Ca 0.04 1.48 -0.13 0.00 -0.42 0.00 0.00 57.16 58.13 1ujo n GLU 12 Cb 0.34 -2.19 -0.08 0.00 -0.57 0.00 0.00 31.44 28.94 1ujo n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1ujo h ARG 13 N 0.00 -0.37 -0.84 3.49 2.47 0.41 -0.03 114.38 119.51 1ujo h ARG 13 Ca 0.33 0.02 0.11 0.00 -1.26 0.00 0.00 59.98 59.18 1ujo h ARG 13 Cb 0.57 0.08 -0.13 0.00 -1.65 0.00 0.00 29.97 28.84 1ujo h ARG 13 CO -0.95 -0.04 -0.48 -0.07 0.56 0.00 0.00 179.97 179.00 1ujo h LEU 14 N -0.75 -1.72 0.07 3.04 3.38 0.21 0.84 115.31 120.38 1ujo h LEU 14 Ca -0.04 0.29 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1ujo h LEU 14 Cb 0.50 0.80 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1ujo h LEU 14 CO 0.06 -0.29 -0.06 0.58 0.09 0.00 0.00 178.44 178.82 1ujo h VAL 15 N -0.09 0.85 -0.46 1.22 2.07 0.31 0.18 116.25 120.33 1ujo h VAL 15 Ca 0.22 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.88 1ujo h VAL 15 Cb 0.53 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1ujo h VAL 15 CO -0.86 0.00 0.52 -0.33 0.02 0.00 0.00 177.57 176.92 1ujo h GLU 16 N -0.15 0.00 0.00 1.57 4.39 0.15 0.27 114.58 120.81 1ujo h GLU 16 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1ujo h GLU 16 Cb 0.14 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1ujo h GLU 16 CO -0.02 0.00 -0.16 2.35 -1.16 0.00 0.00 179.01 180.03 1ujo h TRP 17 N 0.00 0.00 -0.38 4.33 7.01 0.22 -3.09 115.95 124.03 1ujo h TRP 17 Ca 0.22 0.00 0.11 0.00 2.11 0.00 0.00 58.89 61.33 1ujo h TRP 17 Cb 1.25 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.30 1ujo h TRP 17 CO 0.00 0.23 0.63 0.82 -2.79 0.00 0.00 178.44 177.33 1ujo h ILE 18 N -1.00 0.16 0.17 2.65 2.04 0.76 0.81 117.51 123.10 1ujo h ILE 18 Ca -0.02 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 1ujo h ILE 18 Cb 0.32 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1ujo h ILE 18 CO -0.01 0.00 -0.08 0.58 0.00 0.00 0.00 178.15 178.64 1ujo h VAL 19 N 0.00 0.85 -0.61 1.67 2.07 -0.60 -0.58 116.25 119.05 1ujo h VAL 19 Ca 0.18 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 1ujo h VAL 19 Cb 1.43 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.59 1ujo h VAL 19 CO -0.00 0.21 0.02 -0.37 0.02 0.00 0.00 177.57 177.45 1ujo h VAL 20 N -0.84 1.26 0.00 2.57 -1.51 -0.26 1.62 116.25 119.09 1ujo h VAL 20 Ca -0.02 -1.13 0.00 0.00 -1.23 0.00 0.00 66.70 64.32 1ujo h VAL 20 Cb 0.52 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 1ujo h VAL 20 CO 0.04 0.41 0.00 0.00 -1.23 0.00 0.00 177.57 176.79 1ujo n GLN 21 N -4.18 0.00 0.20 5.19 1.13 0.24 -3.83 117.38 116.13 1ujo n GLN 21 Ca 0.03 0.45 -0.14 0.00 -1.94 0.00 0.00 57.00 55.40 1ujo n GLN 21 Cb 0.34 -1.45 -0.08 0.00 0.11 0.00 0.00 30.24 29.16 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 -0.81 1.67 2.29 0.00 0.00 0.55 -4.79 105.19 104.10 1ujo n GLY 23 Ca -0.10 -2.22 -0.18 0.00 0.00 0.00 0.00 46.02 43.52 1ujo n GLY 23 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ujo n PRO 24 N -0.79 2.09 0.00 1.61 -0.04 -1.25 -3.29 135.00 133.32 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 -3.47 -0.04 0.00 0.00 175.50 171.99 1ujo n ASP 25 N 3.23 1.32 0.15 3.54 -0.08 -1.26 -4.75 116.55 118.70 1ujo n ASP 25 Ca 0.45 0.00 -0.00 0.00 -1.51 0.00 0.00 54.79 53.72 1ujo n ASP 25 Cb 0.45 0.00 0.21 0.00 2.34 0.00 0.00 41.12 44.12 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 1.40 0.00 5.18 -1.51 -1.90 -3.49 116.25 115.93 1ujo h VAL 26 Ca 0.00 -1.93 0.00 0.00 -1.23 0.00 0.00 66.70 63.54 1ujo h VAL 26 Cb 0.62 2.04 0.00 0.00 -2.13 0.00 0.00 31.29 31.83 1ujo h VAL 26 CO 0.00 0.55 0.00 0.61 -1.23 0.00 0.00 177.57 177.50 1ujo n GLY 27 N 0.10 -0.34 3.24 5.19 0.00 -1.26 -4.99 105.19 107.13 1ujo n GLY 27 Ca -0.01 -1.62 -0.14 0.00 0.00 0.00 0.00 46.02 44.25 1ujo n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ujo s ARG 28 N 0.00 1.05 0.82 1.61 3.52 -1.26 -4.86 118.95 119.83 1ujo s ARG 28 Ca 0.00 -1.45 -0.12 0.00 -0.13 0.00 0.00 55.73 54.03 1ujo s ARG 28 Cb 0.00 -0.56 0.08 0.00 -1.56 0.00 0.00 34.95 32.91 1ujo s ARG 28 CO 0.00 0.05 1.11 -1.25 -0.81 0.00 0.00 175.30 174.39 1ujo s PRO 29 N -3.77 1.89 0.00 5.12 0.04 -1.26 -5.06 135.00 131.96 1ujo s PRO 29 Ca 0.17 0.56 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1ujo s PRO 29 Cb 0.03 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1ujo s PRO 29 CO 0.00 -1.74 0.00 -3.47 0.04 0.00 0.00 177.00 171.83 1ujo n ASP 30 N -3.50 -0.03 -3.64 6.66 2.03 -1.26 -4.89 116.55 111.91 1ujo n ASP 30 Ca 0.07 -0.12 -0.18 0.00 0.52 0.00 0.00 54.79 55.08 1ujo n ASP 30 Cb 0.57 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 41.10 1ujo n ASP 30 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1ujo n ARG 31 N -0.15 -2.03 -3.14 -0.67 -4.01 -1.26 -4.42 116.66 100.99 1ujo n ARG 31 Ca 0.00 -0.60 -0.45 0.00 -1.04 0.00 0.00 57.85 55.76 1ujo n ARG 31 Cb 0.00 -1.43 -0.05 0.00 -3.04 0.00 0.00 32.46 27.94 1ujo n ARG 31 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 1ujo s GLY 32 N -1.88 1.81 0.00 2.89 0.00 -1.26 -3.88 107.32 105.01 1ujo s GLY 32 Ca 0.34 -2.25 0.00 0.00 0.00 0.00 0.00 44.72 42.81 1ujo s GLY 32 CO 0.33 1.53 0.00 -2.13 0.00 0.00 0.00 173.10 172.83 1ujo n ARG 33 N 6.19 0.00 0.00 2.90 3.00 -1.26 -4.77 116.66 122.72 1ujo n ARG 33 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.75 1ujo n ARG 33 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 1ujo n ARG 33 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1ujo n LEU 34 N 0.00 2.92 0.00 6.15 4.77 -1.26 -4.75 117.00 124.83 1ujo n LEU 34 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1ujo n LEU 34 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1ujo n LEU 34 CO 0.00 0.49 0.35 0.61 -1.33 0.00 0.00 177.39 177.51 1ujo n GLY 35 N 3.46 -2.30 0.37 -0.72 0.00 -1.26 0.11 105.19 104.86 1ujo n GLY 35 Ca 0.00 0.44 -0.01 0.00 0.00 0.00 0.00 46.02 46.45 1ujo n GLY 35 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1ujo n PHE 36 N -2.64 0.03 -0.16 1.61 7.35 -1.25 0.89 117.46 123.29 1ujo n PHE 36 Ca 0.00 1.18 -0.02 0.00 -0.76 0.00 0.00 57.45 57.84 1ujo n PHE 36 Cb 0.00 -0.86 0.05 0.00 0.35 0.00 0.00 39.48 39.02 1ujo n PHE 36 CO 0.00 0.00 0.00 0.37 -0.76 0.00 0.00 176.76 176.37 1ujo h GLN 37 N 0.00 0.05 -0.08 -4.13 -0.00 -0.62 0.12 115.11 110.45 1ujo h GLN 37 Ca 0.33 -0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.97 1ujo h GLN 37 Cb 0.57 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 28.04 1ujo h GLN 37 CO -0.95 0.03 0.03 0.28 0.00 0.00 0.00 178.83 178.22 1ujo h VAL 38 N 0.05 1.15 -1.05 2.39 2.07 0.27 -0.12 116.25 121.01 1ujo h VAL 38 Ca 0.25 -0.46 0.30 0.00 0.82 0.00 0.00 66.70 67.61 1ujo h VAL 38 Cb 0.38 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1ujo h VAL 38 CO -0.47 0.13 0.76 -0.25 0.02 0.00 0.00 177.57 177.76 1ujo h TRP 39 N -0.05 0.02 -0.66 1.57 7.01 0.17 1.28 115.95 125.30 1ujo h TRP 39 Ca 0.02 0.00 -0.46 0.00 2.11 0.00 0.00 58.89 60.57 1ujo h TRP 39 Cb 0.19 -0.01 -0.30 0.00 -2.10 0.00 0.00 29.16 26.94 1ujo h TRP 39 CO -0.01 0.00 -0.31 1.28 -2.79 0.00 0.00 178.44 176.61 1ujo n LEU 40 N -4.23 5.15 -0.09 0.65 4.77 0.30 -4.61 117.00 118.94 1ujo n LEU 40 Ca 0.22 -4.39 -0.18 0.00 -0.03 0.00 0.00 56.01 51.63 1ujo n LEU 40 Cb 1.11 -0.54 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 1ujo n LEU 40 CO 0.39 1.76 -1.02 1.17 -1.33 0.00 0.00 177.39 178.36 1ujo n LYS 41 N -0.87 0.44 -0.21 3.23 4.81 0.44 -4.60 118.16 121.39 1ujo n LYS 41 Ca 0.44 0.19 -0.05 0.00 -0.87 0.00 0.00 58.31 58.02 1ujo n LYS 41 Cb 0.91 -1.25 0.01 0.00 0.02 0.00 0.00 35.03 34.72 1ujo n LYS 41 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1ujo h ASN 42 N -0.77 -1.17 0.00 3.14 -0.73 -1.81 -3.46 115.58 110.77 1ujo h ASN 42 Ca -0.38 0.23 0.00 0.00 1.87 0.00 0.00 56.30 58.02 1ujo h ASN 42 Cb 1.26 0.59 0.00 0.00 0.27 0.00 0.00 38.32 40.44 1ujo h ASN 42 CO -0.23 -0.30 0.00 0.61 -0.37 0.00 0.00 177.43 177.14 1ujo n GLY 43 N -1.44 2.84 0.21 1.57 0.00 -1.26 -4.63 105.19 102.49 1ujo n GLY 43 Ca 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.03 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 0.47 -0.22 1.61 2.07 -1.94 0.80 116.25 119.04 1ujo h VAL 44 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1ujo h VAL 44 Cb 0.00 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1ujo h VAL 44 CO 0.00 0.00 0.10 0.40 0.02 0.00 0.00 177.57 178.09 1ujo h ILE 45 N -0.02 1.15 -0.58 4.57 2.04 -1.91 -0.40 117.51 122.36 1ujo h ILE 45 Ca 0.24 -0.43 0.10 0.00 1.00 0.00 0.00 64.86 65.77 1ujo h ILE 45 Cb 0.39 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.42 1ujo h ILE 45 CO -0.52 0.14 0.17 -0.07 0.00 0.00 0.00 178.15 177.87 1ujo h LEU 46 N 0.22 0.11 -0.91 1.44 3.38 -1.38 0.38 115.31 118.54 1ujo h LEU 46 Ca 0.07 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1ujo h LEU 46 Cb 0.13 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 1ujo h LEU 46 CO -0.01 0.07 0.52 0.28 0.09 0.00 0.00 178.44 179.40 1ujo h SER 47 N 0.32 1.11 -0.65 -0.43 0.02 0.91 -1.69 113.55 113.14 1ujo h SER 47 Ca 0.30 -0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1ujo h SER 47 Cb 0.40 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1ujo h SER 47 CO -0.34 0.87 0.20 0.11 -1.14 0.00 0.00 176.83 176.53 1ujo h LYS 48 N 1.26 1.04 0.00 3.45 1.57 0.82 -0.60 116.57 124.11 1ujo h LYS 48 Ca 0.32 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1ujo h LYS 48 Cb -0.02 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.14 1ujo h LYS 48 CO -0.06 0.90 0.00 -0.11 -0.57 0.00 0.00 179.45 179.61 1ujo n LEU 49 N -4.26 0.00 -0.31 2.94 7.94 0.11 0.16 117.00 123.59 1ujo n LEU 49 Ca 0.05 0.80 0.09 0.00 -1.11 0.00 0.00 56.01 55.85 1ujo n LEU 49 Cb 0.23 -0.30 0.21 0.00 0.53 0.00 0.00 43.42 44.09 1ujo n LEU 49 CO 0.41 -0.30 0.79 1.62 -1.11 0.00 0.00 177.39 178.80 1ujo h VAL 50 N 0.00 0.16 -0.49 1.96 3.04 -1.44 1.11 116.25 120.59 1ujo h VAL 50 Ca 0.00 -0.02 0.04 0.00 -1.01 0.00 0.00 66.70 65.71 1ujo h VAL 50 Cb 0.00 0.10 -0.04 0.00 -2.01 0.00 0.00 31.29 29.34 1ujo h VAL 50 CO 0.00 0.01 0.25 0.78 -1.01 0.00 0.00 177.57 177.60 1ujo h ASN 51 N 0.05 0.38 -0.89 3.17 2.35 -0.93 -1.74 115.58 117.97 1ujo h ASN 51 Ca 0.50 0.02 0.24 0.00 -0.55 0.00 0.00 56.30 56.51 1ujo h ASN 51 Cb 0.94 -0.05 -0.15 0.00 0.05 0.00 0.00 38.32 39.10 1ujo h ASN 51 CO -0.82 0.26 0.11 0.77 -1.65 0.00 0.00 177.43 176.10 1ujo h SER 52 N 0.50 -0.24 0.00 5.81 4.64 1.05 -2.92 113.55 122.39 1ujo h SER 52 Ca 0.21 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 1ujo h SER 52 Cb 0.10 0.36 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1ujo h SER 52 CO -0.14 -0.24 0.00 0.18 -0.87 0.00 0.00 176.83 175.77 1ujo n LEU 53 N -5.35 0.00 -3.38 5.97 4.77 -0.66 -4.77 117.00 113.57 1ujo n LEU 53 Ca 0.20 0.24 -0.31 0.00 -0.03 0.00 0.00 56.01 56.11 1ujo n LEU 53 Cb 0.67 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.78 1ujo n LEU 53 CO 0.01 0.00 -0.73 -1.22 -1.33 0.00 0.00 177.39 174.13 1ujo n TYR 54 N -0.25 -3.04 -0.18 -1.77 4.01 -1.10 -4.80 117.16 110.04 1ujo n TYR 54 Ca 0.00 0.23 0.00 0.00 -0.16 0.00 0.00 57.90 57.97 1ujo n TYR 54 Cb 0.00 -1.30 0.00 0.00 -0.31 0.00 0.00 39.34 37.73 1ujo n TYR 54 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ujo n PRO 55 N 1.51 0.64 0.05 -0.72 -0.04 -1.26 -4.91 135.00 130.27 1ujo n PRO 55 Ca 0.04 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.45 1ujo n PRO 55 Cb 0.41 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.84 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 -0.22 -2.37 0.54 3.07 -1.93 -3.34 114.58 110.33 1ujo h GLU 56 Ca 0.00 0.01 -0.30 0.00 -0.50 0.00 0.00 59.36 58.58 1ujo h GLU 56 Cb 0.00 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.92 1ujo h GLU 56 CO 0.00 -0.08 0.80 0.41 -1.40 0.00 0.00 179.01 178.73 1ujo n GLY 57 N 1.16 3.17 1.48 -3.84 0.00 -1.26 -3.08 105.19 102.82 1ujo n GLY 57 Ca -0.04 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.80 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 2.87 -0.29 -4.62 1.61 7.64 -1.25 -5.12 113.62 114.46 1ujo n SER 58 Ca 0.49 -1.06 -0.43 0.00 1.01 0.00 0.00 58.87 58.87 1ujo n SER 58 Cb 0.66 0.13 -0.02 0.00 -1.01 0.00 0.00 64.21 63.97 1ujo n SER 58 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1ujo s LYS 59 N 0.02 3.93 -0.05 1.43 3.01 -1.18 -4.52 119.74 122.39 1ujo s LYS 59 Ca 0.01 0.94 -0.08 0.00 -1.01 0.00 0.00 55.97 55.84 1ujo s LYS 59 Cb 0.07 -3.81 -0.04 0.00 -1.01 0.00 0.00 37.83 33.03 1ujo s LYS 59 CO -0.02 -1.09 0.37 -1.00 0.51 0.00 0.00 175.35 174.11 1ujo h PRO 60 N 8.66 -0.27 -6.90 -1.68 0.13 -1.94 -3.46 132.00 126.54 1ujo h PRO 60 Ca -0.22 0.02 -0.48 0.00 -0.87 0.00 0.00 66.00 64.45 1ujo h PRO 60 Cb 1.07 0.06 0.04 0.00 0.13 0.00 0.00 31.00 32.29 1ujo h PRO 60 CO 1.06 -0.18 0.06 0.08 -0.23 0.00 0.00 178.00 178.80 1ujo s VAL 61 N -2.46 4.52 -0.31 1.56 1.01 -1.26 -5.06 120.40 118.40 1ujo s VAL 61 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1ujo s VAL 61 Cb 0.00 -3.72 0.09 0.00 0.00 0.00 0.00 36.38 32.76 1ujo s VAL 61 CO 0.12 -0.66 0.06 -0.54 0.00 0.00 0.00 175.10 174.08 1ujo s LYS 62 N -4.73 1.15 -0.36 2.72 3.01 -1.26 -4.98 119.74 115.30 1ujo s LYS 62 Ca 0.48 -1.39 -0.22 0.00 -1.01 0.00 0.00 55.97 53.84 1ujo s LYS 62 Cb -0.10 -2.57 0.01 0.00 -1.01 0.00 0.00 37.83 34.15 1ujo s LYS 62 CO 0.43 -0.91 0.70 0.54 0.51 0.00 0.00 175.35 176.62 1ujo s VAL 63 N 1.29 4.82 0.97 3.17 0.11 -1.26 -5.05 120.40 124.46 1ujo s VAL 63 Ca 0.08 0.74 -0.14 0.00 -2.93 0.00 0.00 61.98 59.73 1ujo s VAL 63 Cb -0.18 -4.13 0.18 0.00 -1.53 0.00 0.00 36.38 30.71 1ujo s VAL 63 CO -0.15 -0.36 1.17 -2.16 -3.33 0.00 0.00 175.10 170.27 1ujo s PRO 64 N 2.88 0.61 -0.07 1.54 0.04 -1.26 -5.01 135.00 133.73 1ujo s PRO 64 Ca 0.28 0.09 -0.27 0.00 0.04 0.00 0.00 61.00 61.14 1ujo s PRO 64 Cb -0.14 -1.80 -0.23 0.00 0.04 0.00 0.00 34.50 32.38 1ujo s PRO 64 CO 0.15 -2.52 1.05 0.93 0.04 0.00 0.00 177.00 176.66 1ujo h GLU 65 N -1.72 0.01 -6.17 4.56 5.08 -2.04 -3.43 114.58 110.86 1ujo h GLU 65 Ca -0.48 -0.01 -0.56 0.00 -1.00 0.00 0.00 59.36 57.31 1ujo h GLU 65 Cb 1.31 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.51 1ujo h GLU 65 CO 0.52 0.72 0.44 0.54 -1.00 0.00 0.00 179.01 180.24 1ujo s ASN 66 N -5.94 7.15 0.26 1.42 4.22 -1.26 -5.02 114.94 115.77 1ujo s ASN 66 Ca -0.17 1.41 -0.30 0.00 -2.14 0.00 0.00 52.86 51.66 1ujo s ASN 66 Cb -0.00 -2.51 -0.09 0.00 1.28 0.00 0.00 41.25 39.92 1ujo s ASN 66 CO 0.68 -0.37 1.09 -2.16 -2.04 0.00 0.00 177.10 174.29 1ujo s PRO 67 N 1.79 4.65 0.00 3.55 0.04 -1.26 -5.05 135.00 138.73 1ujo s PRO 67 Ca 0.45 1.76 0.00 0.00 0.04 0.00 0.00 61.00 63.25 1ujo s PRO 67 Cb -0.18 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1ujo s PRO 67 CO 0.18 0.22 0.00 -0.35 0.04 0.00 0.00 177.00 177.09 1ujo n PRO 68 N 1.39 0.15 0.09 0.56 -0.04 -1.26 -5.05 135.00 130.84 1ujo n PRO 68 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1ujo n PRO 68 Cb 0.45 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.91 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 -1.70 -1.66 -4.36 3.54 2.88 -1.26 -4.98 113.62 106.08 1ujo n SER 69 Ca 0.00 0.37 -0.61 0.00 -1.33 0.00 0.00 58.87 57.30 1ujo n SER 69 Cb 0.00 1.82 -0.09 0.00 -0.75 0.00 0.00 64.21 65.19 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 -2.84 0.00 -0.03 -1.46 2.81 -1.26 -4.29 117.12 110.05 1ujo n MET 70 Ca 0.00 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.88 1ujo n MET 70 Cb 0.00 -1.39 -0.01 0.00 -0.71 0.00 0.00 33.22 31.11 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 4.21 0.00 -0.44 2.03 3.04 -1.99 2.60 116.25 125.69 1ujo h VAL 71 Ca -0.42 0.00 0.13 0.00 -1.01 0.00 0.00 66.70 65.39 1ujo h VAL 71 Cb 1.29 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.55 1ujo h VAL 71 CO 0.84 0.00 0.73 -0.26 -1.01 0.00 0.00 177.57 177.87 1ujo h PHE 72 N -0.01 0.00 0.00 3.17 -1.00 -1.99 1.06 116.94 118.17 1ujo h PHE 72 Ca 0.01 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.76 1ujo h PHE 72 Cb 0.05 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.60 1ujo h PHE 72 CO -0.82 0.00 -0.40 0.87 -1.61 0.00 0.00 178.31 176.35 1ujo h LYS 73 N 0.00 0.00 -0.56 1.51 1.79 0.15 -3.34 116.57 116.13 1ujo h LYS 73 Ca 0.21 0.00 0.06 0.00 -2.18 0.00 0.00 60.65 58.74 1ujo h LYS 73 Cb 1.67 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 32.27 1ujo h LYS 73 CO -0.00 0.27 0.28 1.96 -1.08 0.00 0.00 179.45 180.88 1ujo h GLN 74 N -1.00 0.51 -0.94 3.15 4.20 0.60 -1.74 115.11 119.90 1ujo h GLN 74 Ca -0.05 -0.03 0.28 0.00 0.06 0.00 0.00 58.65 58.91 1ujo h GLN 74 Cb 0.52 -0.11 -0.15 0.00 0.30 0.00 0.00 27.48 28.03 1ujo h GLN 74 CO -0.03 0.34 0.31 0.52 -0.67 0.00 0.00 178.83 179.30 1ujo h MET 75 N 0.53 0.18 -0.51 1.46 2.86 0.88 0.65 114.93 120.96 1ujo h MET 75 Ca 0.25 -0.01 0.05 0.00 -2.06 0.00 0.00 59.70 57.94 1ujo h MET 75 Cb 0.19 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 1ujo h MET 75 CO -0.19 0.12 0.24 0.93 1.06 0.00 0.00 176.91 179.07 1ujo h GLU 76 N 0.18 0.45 0.20 1.72 5.08 -1.43 0.42 114.58 121.21 1ujo h GLU 76 Ca 0.63 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.98 1ujo h GLU 76 Cb 1.38 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1ujo h GLU 76 CO -0.70 0.30 -0.42 1.96 -1.00 0.00 0.00 179.01 179.16 1ujo h GLN 77 N 0.47 -0.68 -0.19 2.33 1.08 0.29 0.16 115.11 118.57 1ujo h GLN 77 Ca 0.23 0.05 0.02 0.00 -1.45 0.00 0.00 58.65 57.50 1ujo h GLN 77 Cb 0.18 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.74 1ujo h GLN 77 CO -0.18 -0.45 0.05 0.28 -0.95 0.00 0.00 178.83 177.57 1ujo h VAL 78 N -0.70 0.94 -0.63 -0.54 2.07 -1.08 -2.21 116.25 114.09 1ujo h VAL 78 Ca 0.00 -0.05 0.12 0.00 0.82 0.00 0.00 66.70 67.60 1ujo h VAL 78 Cb 0.70 0.79 -0.12 0.00 -1.52 0.00 0.00 31.29 31.13 1ujo h VAL 78 CO -0.19 0.02 -0.23 0.00 0.02 0.00 0.00 177.57 177.20 1ujo h ALA 79 N 1.13 0.26 -0.84 1.67 0.00 0.35 1.01 119.26 122.84 1ujo h ALA 79 Ca 0.08 0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.39 1ujo h ALA 79 Cb 0.06 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 18.35 1ujo h ALA 79 CO -0.10 -0.51 0.37 1.96 0.00 0.00 0.00 179.25 180.97 1ujo h GLN 80 N -0.06 0.46 -0.13 0.00 4.20 -0.08 0.11 115.11 119.61 1ujo h GLN 80 Ca 0.29 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.83 1ujo h GLN 80 Cb 0.51 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.19 1ujo h GLN 80 CO -0.68 0.30 -0.46 0.35 -0.67 0.00 0.00 178.83 177.68 1ujo h PHE 81 N 0.47 0.71 0.17 2.96 3.57 0.31 -1.56 116.94 123.58 1ujo h PHE 81 Ca 0.49 -0.30 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1ujo h PHE 81 Cb 0.81 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 1ujo h PHE 81 CO -0.14 1.06 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.57 1ujo h LEU 82 N 0.16 -1.08 -1.00 0.59 3.38 0.23 1.52 115.31 119.11 1ujo h LEU 82 Ca -0.02 0.11 0.10 0.00 0.09 0.00 0.00 57.88 58.16 1ujo h LEU 82 Cb 1.09 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 42.15 1ujo h LEU 82 CO 0.10 -0.42 0.64 0.50 0.09 0.00 0.00 178.44 179.35 1ujo h LYS 83 N -0.59 1.02 -0.91 1.13 3.64 -0.96 0.12 116.57 120.02 1ujo h LYS 83 Ca -0.02 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1ujo h LYS 83 Cb 0.56 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 1ujo h LYS 83 CO -0.15 0.67 0.51 0.00 -2.27 0.00 0.00 179.45 178.21 1ujo h ALA 84 N 1.51 1.18 -0.35 5.00 0.00 -0.19 -0.99 119.26 125.41 1ujo h ALA 84 Ca 0.48 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 1ujo h ALA 84 Cb 0.39 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ujo h ALA 84 CO -0.24 0.67 0.11 0.00 0.00 0.00 0.00 179.25 179.79 1ujo h ALA 85 N 1.29 1.54 0.91 0.00 0.00 0.47 -2.87 119.26 120.60 1ujo h ALA 85 Ca 0.32 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1ujo h ALA 85 Cb 0.01 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.66 1ujo h ALA 85 CO -0.05 0.35 -0.44 1.49 0.00 0.00 0.00 179.25 180.60 1ujo h GLU 86 N 0.50 -1.18 -0.93 0.00 4.22 -0.02 -2.70 114.58 114.47 1ujo h GLU 86 Ca 0.12 0.08 0.26 0.00 0.08 0.00 0.00 59.36 59.90 1ujo h GLU 86 Cb 0.16 0.27 -0.17 0.00 0.50 0.00 0.00 28.75 29.51 1ujo h GLU 86 CO -0.01 -0.78 0.13 0.22 -2.18 0.00 0.00 179.01 176.39 1ujo h ASP 87 N -1.24 -0.26 -1.02 1.04 1.82 -1.25 1.20 116.42 116.71 1ujo h ASP 87 Ca -0.12 0.25 0.31 0.00 -0.39 0.00 0.00 57.03 57.08 1ujo h ASP 87 Cb 0.94 0.39 -0.14 0.00 0.68 0.00 0.00 39.33 41.19 1ujo h ASP 87 CO 0.20 -0.29 0.59 0.22 -1.61 0.00 0.00 179.24 178.36 1ujo h TYR 88 N 0.08 0.92 0.00 0.28 3.20 -1.27 -3.43 116.97 116.74 1ujo h TYR 88 Ca 0.59 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.49 1ujo h TYR 88 Cb 1.23 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1ujo h TYR 88 CO -0.38 -0.13 0.00 0.41 -1.64 0.00 0.00 178.16 176.41 1ujo n GLY 89 N -1.31 0.56 3.42 1.82 0.00 0.41 -5.04 105.19 105.05 1ujo n GLY 89 Ca 0.31 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 1.57 -1.66 1.61 0.31 -0.99 -4.97 118.33 114.20 1ujo n VAL 90 Ca 0.00 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1ujo n VAL 90 Cb 0.00 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 32.54 1ujo n VAL 90 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1ujo n ILE 91 N -0.73 0.00 0.55 2.52 -5.35 -1.26 -4.64 119.36 110.45 1ujo n ILE 91 Ca 0.12 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.68 1ujo n ILE 91 Cb 0.37 -1.65 0.09 0.00 -1.74 0.00 0.00 39.64 36.72 1ujo n ILE 91 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1ujo n LYS 92 N -0.95 1.54 0.00 6.28 4.76 -1.26 -3.97 118.16 124.56 1ujo n LYS 92 Ca 0.00 -1.62 0.08 0.00 -2.87 0.00 0.00 58.31 53.91 1ujo n LYS 92 Cb 0.00 -1.33 0.02 0.00 -1.84 0.00 0.00 35.03 31.88 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 0.95 0.00 0.11 -0.18 -2.24 -1.26 -4.27 114.28 107.39 1ujo n THR 93 Ca 0.11 -0.39 0.04 0.00 -2.27 0.00 0.00 64.05 61.55 1ujo n THR 93 Cb 0.43 1.25 -0.06 0.00 -2.10 0.00 0.00 70.33 69.85 1ujo n THR 93 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ujo n ASP 94 N 0.26 2.25 -4.78 3.42 5.68 -1.26 -5.02 116.55 117.10 1ujo n ASP 94 Ca 0.08 -0.21 -0.33 0.00 -0.50 0.00 0.00 54.79 53.83 1ujo n ASP 94 Cb 0.38 1.28 0.03 0.00 -1.14 0.00 0.00 41.12 41.66 1ujo n ASP 94 CO 0.00 0.00 0.00 -0.04 -1.33 0.00 0.00 177.20 175.83 1ujo s MET 95 N -2.36 3.08 0.50 0.11 -1.94 -1.25 -2.14 119.30 115.29 1ujo s MET 95 Ca -0.01 1.39 0.01 0.00 -1.71 0.00 0.00 55.69 55.37 1ujo s MET 95 Cb 0.06 -1.99 -0.02 0.00 2.01 0.00 0.00 34.83 34.89 1ujo s MET 95 CO 0.35 -1.03 0.00 -0.59 -0.01 0.00 0.00 175.02 173.75 1ujo s PHE 96 N -2.23 1.90 -0.14 -0.03 -0.12 -1.26 -4.94 117.98 111.16 1ujo s PHE 96 Ca 0.67 -0.94 -0.08 0.00 -0.05 0.00 0.00 56.93 56.54 1ujo s PHE 96 Cb -0.20 -1.62 -0.04 0.00 -0.63 0.00 0.00 43.02 40.53 1ujo s PHE 96 CO 0.36 0.24 0.13 -0.65 -0.05 0.00 0.00 175.22 175.26 1ujo s GLN 97 N -3.87 3.62 0.47 1.99 -0.21 -1.26 -4.96 119.66 115.45 1ujo s GLN 97 Ca 0.07 -0.16 0.34 0.00 0.02 0.00 0.00 55.36 55.63 1ujo s GLN 97 Cb 0.02 -3.24 1.47 0.00 1.00 0.00 0.00 33.01 32.27 1ujo s GLN 97 CO 0.04 0.65 1.66 1.15 -2.12 0.00 0.00 175.29 176.66 1ujo h THR 98 N 4.17 0.19 -0.14 -0.19 2.02 -1.99 1.46 112.91 118.43 1ujo h THR 98 Ca -0.51 -0.03 -0.12 0.00 0.77 0.00 0.00 66.41 66.52 1ujo h THR 98 Cb 1.21 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1ujo h THR 98 CO 0.63 0.02 -0.39 -0.37 0.37 0.00 0.00 175.52 175.77 1ujo h VAL 99 N 0.09 1.36 -0.38 3.16 -1.51 -1.95 1.18 116.25 118.21 1ujo h VAL 99 Ca 0.78 -1.68 0.11 0.00 -1.23 0.00 0.00 66.70 64.68 1ujo h VAL 99 Cb 2.65 2.06 -0.02 0.00 -2.13 0.00 0.00 31.29 33.86 1ujo h VAL 99 CO -0.26 0.50 0.61 0.44 -1.23 0.00 0.00 177.57 177.63 1ujo h ASP 100 N 0.12 0.00 0.00 4.19 3.32 0.17 1.04 116.42 125.27 1ujo h ASP 100 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1ujo h ASP 100 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1ujo h ASP 100 CO 0.08 0.00 -0.71 -0.11 -1.72 0.00 0.00 179.24 176.78 1ujo n LEU 101 N -3.29 1.70 0.23 1.55 7.94 -0.94 -2.30 117.00 121.89 1ujo n LEU 101 Ca 0.07 0.28 -0.16 0.00 -1.11 0.00 0.00 56.01 55.08 1ujo n LEU 101 Cb 0.76 -0.62 -0.08 0.00 0.53 0.00 0.00 43.42 44.00 1ujo n LEU 101 CO 0.20 -0.41 0.58 0.22 -1.11 0.00 0.00 177.39 176.88 1ujo h TYR 102 N -0.71 -1.17 -0.00 1.96 3.20 0.18 -1.30 116.97 119.12 1ujo h TYR 102 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1ujo h TYR 102 Cb 0.71 0.47 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1ujo h TYR 102 CO -0.31 -0.57 -0.02 0.39 -1.64 0.00 0.00 178.16 176.02 1ujo n GLU 103 N -5.50 0.96 -3.98 1.82 -0.58 0.33 -4.90 120.64 108.78 1ujo n GLU 103 Ca -0.10 -0.17 -0.31 0.00 -0.42 0.00 0.00 57.16 56.16 1ujo n GLU 103 Cb 0.41 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.79 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 1.11 -0.45 0.24 0.62 0.00 0.53 -4.85 105.19 102.39 1ujo n GLY 104 Ca 0.20 0.17 -0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.90 0.82 -3.18 1.61 1.57 -1.31 -3.43 116.57 110.75 1ujo h LYS 105 Ca -0.59 -0.50 -0.33 0.00 -1.87 0.00 0.00 60.65 57.35 1ujo h LYS 105 Cb 1.38 0.05 -0.37 0.00 0.08 0.00 0.00 32.23 33.36 1ujo h LYS 105 CO 0.69 1.14 -0.69 0.34 -0.57 0.00 0.00 179.45 180.36 1ujo s ASP 106 N -6.93 0.99 -0.17 0.86 -1.08 -0.97 -4.98 116.67 104.40 1ujo s ASP 106 Ca -0.10 0.18 -0.01 0.00 -0.52 0.00 0.00 52.55 52.10 1ujo s ASP 106 Cb 0.11 0.07 -0.23 0.00 -1.46 0.00 0.00 42.92 41.41 1ujo s ASP 106 CO 0.88 -0.25 0.16 0.23 0.52 0.00 0.00 175.17 176.70 1ujo n MET 107 N 5.31 0.71 -0.11 4.34 2.81 -1.26 -3.60 117.12 125.32 1ujo n MET 107 Ca -0.04 0.21 -0.05 0.00 -1.81 0.00 0.00 57.70 56.01 1ujo n MET 107 Cb 0.50 -1.64 0.02 0.00 -0.71 0.00 0.00 33.22 31.39 1ujo n MET 107 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1ujo h ALA 108 N 0.16 0.35 0.64 3.04 0.00 -1.95 -1.27 119.26 120.23 1ujo h ALA 108 Ca -0.48 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1ujo h ALA 108 Cb 2.00 0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.98 1ujo h ALA 108 CO 0.02 -0.39 -0.31 0.00 0.00 0.00 0.00 179.25 178.57 1ujo h ALA 109 N 1.34 -0.87 -1.23 0.00 0.00 -1.96 -0.85 119.26 115.70 1ujo h ALA 109 Ca 0.19 -0.19 0.45 0.00 0.00 0.00 0.00 54.91 55.36 1ujo h ALA 109 Cb 0.27 0.34 -0.15 0.00 0.00 0.00 0.00 17.79 18.24 1ujo h ALA 109 CO -0.32 -0.98 0.75 0.28 0.00 0.00 0.00 179.25 178.98 1ujo h VAL 110 N -0.88 0.02 0.00 0.00 2.07 -1.49 1.06 116.25 117.05 1ujo h VAL 110 Ca -0.09 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1ujo h VAL 110 Cb 0.67 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1ujo h VAL 110 CO 0.15 0.00 -0.00 1.56 0.02 0.00 0.00 177.57 179.30 1ujo h GLN 111 N 0.02 -0.01 -1.80 1.57 4.20 -0.44 -3.09 115.11 115.57 1ujo h GLN 111 Ca 0.86 0.00 0.53 0.00 0.06 0.00 0.00 58.65 60.10 1ujo h GLN 111 Cb 2.57 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 30.27 1ujo h GLN 111 CO -0.58 0.60 1.28 -0.09 -0.67 0.00 0.00 178.83 179.37 1ujo h ARG 112 N -0.61 0.01 0.05 1.46 2.43 0.25 0.68 114.38 118.65 1ujo h ARG 112 Ca -0.00 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ujo h ARG 112 Cb 0.60 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1ujo h ARG 112 CO 0.00 0.00 -0.03 1.15 -1.51 0.00 0.00 179.97 179.59 1ujo h THR 113 N 0.01 0.00 -0.87 0.20 2.02 -0.88 -3.12 112.91 110.26 1ujo h THR 113 Ca 0.88 -0.05 0.20 0.00 0.77 0.00 0.00 66.41 68.21 1ujo h THR 113 Cb 3.44 0.00 -0.16 0.00 -1.74 0.00 0.00 68.15 69.70 1ujo h THR 113 CO -0.06 0.00 -0.06 -0.07 0.37 0.00 0.00 175.52 175.70 1ujo h LEU 114 N -0.12 -0.54 -1.45 2.58 3.38 -1.03 1.36 115.31 119.48 1ujo h LEU 114 Ca -0.01 0.25 0.36 0.00 0.09 0.00 0.00 57.88 58.56 1ujo h LEU 114 Cb 0.05 0.46 -0.10 0.00 0.09 0.00 0.00 40.66 41.16 1ujo h LEU 114 CO 0.01 -0.27 0.78 0.24 0.09 0.00 0.00 178.44 179.30 1ujo h MET 115 N 0.04 0.21 0.08 1.13 2.86 -1.03 0.24 114.93 118.45 1ujo h MET 115 Ca 0.48 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 58.10 1ujo h MET 115 Cb 0.86 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1ujo h MET 115 CO -0.83 0.14 -0.04 0.00 1.06 0.00 0.00 176.91 177.24 1ujo h ALA 116 N 1.58 -0.11 -0.23 6.32 0.00 0.18 -2.72 119.26 124.28 1ujo h ALA 116 Ca 0.70 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.41 1ujo h ALA 116 Cb 2.10 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.89 1ujo h ALA 116 CO -0.32 -0.14 -0.31 1.25 0.00 0.00 0.00 179.25 179.73 1ujo h LEU 117 N -0.95 -1.04 -0.37 0.00 5.85 -0.03 1.48 115.31 120.25 1ujo h LEU 117 Ca -0.01 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.89 1ujo h LEU 117 Cb 0.50 0.43 -0.08 0.00 0.37 0.00 0.00 40.66 41.88 1ujo h LEU 117 CO 0.02 -0.22 -0.55 1.23 -0.34 0.00 0.00 178.44 178.57 1ujo h GLY 118 N -0.22 -1.03 0.23 3.75 0.00 -0.80 0.86 103.07 105.86 1ujo h GLY 118 Ca 0.04 0.72 0.14 0.00 0.00 0.00 0.00 47.33 48.23 1ujo h GLY 118 CO -0.33 -0.14 0.41 0.23 0.00 0.00 0.00 176.54 176.71 1ujo h SER 119 N -0.42 0.49 -0.84 0.19 0.87 -1.05 1.26 113.55 114.05 1ujo h SER 119 Ca 0.07 0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1ujo h SER 119 Cb 0.60 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 1ujo h SER 119 CO -0.57 0.21 0.43 -0.07 -0.53 0.00 0.00 176.83 176.30 1ujo h LEU 120 N 0.60 1.08 -0.67 2.23 3.38 0.46 0.30 115.31 122.69 1ujo h LEU 120 Ca 0.45 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 58.16 1ujo h LEU 120 Cb 0.63 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1ujo h LEU 120 CO -0.36 0.89 -0.66 0.00 0.09 0.00 0.00 178.44 178.40 1ujo h ALA 121 N 1.23 0.90 -0.10 1.53 0.00 0.38 -3.03 119.26 120.16 1ujo h ALA 121 Ca 0.29 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1ujo h ALA 121 Cb 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1ujo h ALA 121 CO -0.04 0.82 -0.06 0.28 0.00 0.00 0.00 179.25 180.24 1ujo h VAL 122 N 0.02 1.33 -0.49 0.00 2.07 0.24 -1.01 116.25 118.41 1ujo h VAL 122 Ca -0.01 -1.13 0.10 0.00 0.82 0.00 0.00 66.70 66.49 1ujo h VAL 122 Cb 1.17 1.86 -0.10 0.00 -1.52 0.00 0.00 31.29 32.71 1ujo h VAL 122 CO 0.09 0.32 -0.17 0.74 0.02 0.00 0.00 177.57 178.57 1ujo h THR 123 N -0.15 0.43 0.03 2.57 2.02 -0.40 -2.96 112.91 114.45 1ujo h THR 123 Ca 0.02 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.20 1ujo h THR 123 Cb 0.54 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.37 1ujo h THR 123 CO 0.02 0.00 -0.02 0.11 0.37 0.00 0.00 175.52 176.00 1ujo h LYS 124 N -0.06 -0.04 -5.80 6.66 1.57 -1.50 -3.48 116.57 113.91 1ujo h LYS 124 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1ujo h LYS 124 Cb 0.42 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1ujo h LYS 124 CO -0.53 -0.03 -0.83 -1.71 -0.57 0.00 0.00 179.45 175.77 1ujo n ASN 125 N -2.14 -6.01 0.03 0.86 5.15 -0.39 -4.98 115.26 107.79 1ujo n ASN 125 Ca -0.01 0.96 0.00 0.00 -0.60 0.00 0.00 54.58 54.93 1ujo n ASN 125 Cb 0.02 -3.05 0.00 0.00 -0.53 0.00 0.00 39.78 36.22 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 1.60 -0.01 0.00 1.20 2.03 -1.26 -5.04 116.55 115.07 1ujo n ASP 126 Ca -0.08 0.11 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1ujo n ASP 126 Cb 0.29 0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 1ujo n ASP 126 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1ujo n GLY 127 N 1.68 -1.05 1.82 0.27 0.00 -1.26 -5.05 105.19 101.61 1ujo n GLY 127 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1ujo n GLY 127 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ujo n ASN 128 N 0.00 0.04 -4.53 1.61 0.23 -1.26 -5.05 115.26 106.30 1ujo n ASN 128 Ca 0.00 0.37 -0.51 0.00 -0.53 0.00 0.00 54.58 53.92 1ujo n ASN 128 Cb 0.00 0.24 -0.06 0.00 -2.08 0.00 0.00 39.78 37.88 1ujo n ASN 128 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1ujo n TYR 129 N -3.35 1.82 -0.10 -2.53 4.19 -1.26 -4.77 117.16 111.15 1ujo n TYR 129 Ca 0.00 0.23 -0.13 0.00 3.31 0.00 0.00 57.90 61.31 1ujo n TYR 129 Cb 0.01 -2.56 -0.04 0.00 0.49 0.00 0.00 39.34 37.24 1ujo n TYR 129 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1ujo h ARG 130 N 11.37 0.69 0.00 2.98 2.47 -1.93 -3.45 114.38 126.51 1ujo h ARG 130 Ca -0.35 -0.33 0.00 0.00 -1.26 0.00 0.00 59.98 58.04 1ujo h ARG 130 Cb 1.31 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1ujo h ARG 130 CO 0.99 0.94 0.00 0.41 0.56 0.00 0.00 179.97 182.87 1ujo n GLY 131 N 0.06 -0.30 3.83 0.04 0.00 -1.26 -4.98 105.19 102.58 1ujo n GLY 131 Ca -0.03 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.23 5.87 0.37 1.61 1.11 -1.26 -5.00 116.67 118.13 1ujo s ASP 132 Ca 0.00 0.12 0.20 0.00 0.18 0.00 0.00 52.55 53.05 1ujo s ASP 132 Cb 0.00 -1.69 0.54 0.00 1.07 0.00 0.00 42.92 42.84 1ujo s ASP 132 CO 0.00 0.19 1.66 1.55 1.18 0.00 0.00 175.17 179.75 1ujo h PRO 133 N 3.35 0.00 -1.79 8.23 0.13 -1.95 -3.20 132.00 136.76 1ujo h PRO 133 Ca -0.46 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.31 1ujo h PRO 133 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 1ujo h PRO 133 CO 0.69 0.35 0.29 0.09 -0.23 0.00 0.00 178.00 179.19 1ujo n ASN 134 N -3.35 6.26 -0.03 1.44 4.13 -1.26 -4.09 115.26 118.36 1ujo n ASN 134 Ca 0.01 -3.01 -0.04 0.00 1.68 0.00 0.00 54.58 53.22 1ujo n ASN 134 Cb 0.56 -1.17 -0.01 0.00 -1.54 0.00 0.00 39.78 37.62 1ujo n ASN 134 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1ujo n TRP 135 N 0.87 0.00 0.08 3.10 7.02 -1.21 -4.85 117.44 122.45 1ujo n TRP 135 Ca 0.37 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.79 1ujo n TRP 135 Cb 0.60 -0.24 -0.03 0.00 -2.42 0.00 0.00 31.31 29.23 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 -0.47 -0.28 -0.89 -5.99 -1.00 -1.83 -3.45 116.94 103.03 1ujo h PHE 136 Ca 0.00 -0.01 -0.72 0.00 2.81 0.00 0.00 57.97 60.05 1ujo h PHE 136 Cb 0.47 0.09 0.04 0.00 3.61 0.00 0.00 35.95 40.16 1ujo h PHE 136 CO -0.20 -0.14 0.18 -0.12 -1.61 0.00 0.00 178.31 176.42 1ujo n MET 137 N -4.97 0.00 -2.65 1.51 1.56 -1.26 -4.85 117.12 106.46 1ujo n MET 137 Ca -0.04 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.34 1ujo n MET 137 Cb 0.13 -1.34 0.11 0.00 2.15 0.00 0.00 33.22 34.28 1ujo n MET 137 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1ujo n LYS 138 N 1.84 1.18 -3.81 2.12 2.85 -1.26 -4.93 118.16 116.15 1ujo n LYS 138 Ca 0.20 -1.49 -0.13 0.00 -1.05 0.00 0.00 58.31 55.84 1ujo n LYS 138 Cb 0.04 0.13 -0.14 0.00 -0.65 0.00 0.00 35.03 34.42 1ujo n LYS 138 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1ujo s SER 139 N -1.09 -0.06 0.64 -5.58 0.15 -1.26 -5.15 113.70 101.34 1ujo s SER 139 Ca 0.16 0.17 -0.16 0.00 0.70 0.00 0.00 55.95 56.82 1ujo s SER 139 Cb 0.39 0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.82 1ujo s SER 139 CO -0.10 -0.07 1.13 -0.83 1.20 0.00 0.00 173.24 174.57 1ujo s GLY 140 N 0.46 2.30 -1.17 9.45 0.00 -1.26 -4.88 107.32 112.22 1ujo s GLY 140 Ca -0.03 0.65 -0.13 0.00 0.00 0.00 0.00 44.72 45.21 1ujo s GLY 140 CO -0.02 1.01 2.29 -1.55 0.00 0.00 0.00 173.10 174.83 1ujo n PRO 141 N -2.17 2.49 -4.74 2.90 -0.04 -1.26 -4.86 135.00 127.32 1ujo n PRO 141 Ca 0.11 -1.98 -0.32 0.00 -0.04 0.00 0.00 63.50 61.28 1ujo n PRO 141 Cb 0.52 -2.83 -0.13 0.00 -0.04 0.00 0.00 33.50 31.02 1ujo n PRO 141 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1ujo s SER 142 N 3.46 3.98 -0.06 3.54 1.04 -1.26 -5.02 113.70 119.39 1ujo s SER 142 Ca 0.53 -0.30 -0.01 0.00 0.48 0.00 0.00 55.95 56.64 1ujo s SER 142 Cb 0.14 -0.76 -0.03 0.00 0.10 0.00 0.00 66.02 65.47 1ujo s SER 142 CO -0.02 0.29 -0.07 -1.54 0.98 0.00 0.00 173.24 172.89 1ujo n SER 143 N 1.86 1.96 0.00 7.02 3.41 -1.26 -5.22 113.62 121.39 1ujo n SER 143 Ca -0.16 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 1ujo n SER 143 Cb 0.52 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1ujo n SER 143 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49