#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3i n ALA 3 N 0.00 -1.49 -2.62 4.61 0.00 -1.26 -4.91 120.51 114.85 2h3i n ALA 3 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 53.44 53.74 2h3i n ALA 3 Cb 0.00 -4.72 0.03 0.00 0.00 0.00 0.00 19.45 14.76 2h3i n ALA 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2h3i n ARG 4 N -4.79 0.78 0.00 0.00 0.63 -1.26 -5.12 116.66 106.91 2h3i n ARG 4 Ca -0.07 -2.51 0.00 0.00 -0.92 0.00 0.00 57.85 54.36 2h3i n ARG 4 Cb 0.59 -0.60 0.00 0.00 0.45 0.00 0.00 32.46 32.90 2h3i n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2h3i n ALA 5 N -0.09 0.00 -3.27 5.13 0.00 -1.26 -4.57 120.51 116.45 2h3i n ALA 5 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 2h3i n ALA 5 Cb 0.96 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.47 2h3i n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2h3i n SER 6 N -2.89 -6.72 -0.13 0.00 7.64 -1.26 -4.97 113.62 105.29 2h3i n SER 6 Ca 0.00 -0.62 -0.28 0.00 1.01 0.00 0.00 58.87 58.98 2h3i n SER 6 Cb 0.00 -4.98 -0.10 0.00 -1.01 0.00 0.00 64.21 58.12 2h3i n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2h3i n VAL 7 N -3.04 1.45 -2.58 0.44 0.31 -1.26 -4.98 118.33 108.67 2h3i n VAL 7 Ca -0.06 -0.38 -0.35 0.00 -0.01 0.00 0.00 64.34 63.54 2h3i n VAL 7 Cb 0.59 -1.84 -0.04 0.00 -0.91 0.00 0.00 33.84 31.64 2h3i n VAL 7 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2h3i s LEU 8 N -7.39 4.02 0.00 7.52 2.34 -1.26 -4.86 118.68 119.06 2h3i s LEU 8 Ca -0.37 1.96 0.00 0.00 0.06 0.00 0.00 54.13 55.78 2h3i s LEU 8 Cb 0.14 -4.34 0.00 0.00 -0.56 0.00 0.00 46.19 41.43 2h3i s LEU 8 CO 0.47 -0.57 0.00 -1.54 -1.06 0.00 0.00 176.35 173.66 2h3i n SER 9 N -0.42 0.00 -0.09 1.48 3.41 -1.26 -4.94 113.62 111.81 2h3i n SER 9 Ca 0.07 -0.57 -0.23 0.00 -0.26 0.00 0.00 58.87 57.87 2h3i n SER 9 Cb 0.51 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.34 2h3i n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2h3i n GLY 10 N 5.00 -0.64 0.19 5.00 0.00 -1.26 -3.26 105.19 110.22 2h3i n GLY 10 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 46.02 46.00 2h3i n GLY 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2h3i h GLY 11 N -0.20 0.00 0.80 -0.02 0.00 -2.01 -3.14 103.07 98.50 2h3i h GLY 11 Ca -0.47 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.63 2h3i h GLY 11 CO -0.18 0.00 -1.03 -2.09 0.00 0.00 0.00 176.54 173.24 2h3i h GLU 12 N 0.00 0.35 -0.79 4.80 4.57 -1.93 -3.28 114.58 118.30 2h3i h GLU 12 Ca -0.00 -0.60 0.17 0.00 -1.18 0.00 0.00 59.36 57.75 2h3i h GLU 12 Cb 0.72 0.22 -0.11 0.00 -0.16 0.00 0.00 28.75 29.43 2h3i h GLU 12 CO 0.05 1.29 0.26 1.25 -1.18 0.00 0.00 179.01 180.67 2h3i h LEU 13 N -0.24 0.14 -0.77 1.64 6.46 -1.52 0.33 115.31 121.35 2h3i h LEU 13 Ca -0.19 0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 2h3i h LEU 13 Cb 1.78 0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 41.84 2h3i h LEU 13 CO 0.17 -0.01 0.46 0.44 -0.62 0.00 0.00 178.44 178.88 2h3i h ASP 14 N 0.33 0.93 0.25 1.25 5.19 -1.66 -2.26 116.42 120.46 2h3i h ASP 14 Ca 0.46 -0.07 -0.13 0.00 -0.62 0.00 0.00 57.03 56.67 2h3i h ASP 14 Cb 0.80 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 2h3i h ASP 14 CO -0.50 0.73 -0.50 0.11 -3.12 0.00 0.00 179.24 175.95 2h3i h LYS 15 N 1.05 0.28 -0.09 3.56 6.56 -0.87 -1.84 116.57 125.23 2h3i h LYS 15 Ca 0.28 -0.16 -0.00 0.00 -1.06 0.00 0.00 60.65 59.70 2h3i h LYS 15 Cb -0.03 0.01 -0.00 0.00 -0.57 0.00 0.00 32.23 31.64 2h3i h LYS 15 CO -0.05 0.72 0.05 2.35 -2.06 0.00 0.00 179.45 180.46 2h3i h TRP 16 N 0.23 0.12 0.00 -1.35 2.91 0.07 -2.25 115.95 115.68 2h3i h TRP 16 Ca 0.01 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.03 2h3i h TRP 16 Cb 0.96 -0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 2h3i h TRP 16 CO 0.02 0.15 0.00 0.39 -1.03 0.00 0.00 178.44 177.97 2h3i n GLU 17 N -4.99 0.17 0.00 2.65 1.02 -0.90 -4.01 120.64 114.58 2h3i n GLU 17 Ca -0.06 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.30 2h3i n GLU 17 Cb 0.06 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 2h3i n GLU 17 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2h3i n LYS 18 N -2.04 0.00 -1.34 3.49 3.00 -0.69 -3.50 118.16 117.07 2h3i n LYS 18 Ca 0.05 0.45 -0.44 0.00 -0.00 0.00 0.00 58.31 58.38 2h3i n LYS 18 Cb 0.35 -1.35 -0.01 0.00 0.00 0.00 0.00 35.03 34.01 2h3i n LYS 18 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2h3i n ILE 19 N -1.86 1.13 -1.55 3.15 5.41 -1.17 -4.66 119.36 119.80 2h3i n ILE 19 Ca 0.00 -0.50 -0.03 0.00 1.00 0.00 0.00 62.75 63.22 2h3i n ILE 19 Cb 0.00 -0.02 0.02 0.00 -0.71 0.00 0.00 39.64 38.93 2h3i n ILE 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2h3i n ARG 20 N 1.20 0.10 -0.08 0.38 1.74 -1.26 -2.51 116.66 116.24 2h3i n ARG 20 Ca 0.13 -0.28 -0.16 0.00 -0.77 0.00 0.00 57.85 56.77 2h3i n ARG 20 Cb 0.35 -0.13 -0.05 0.00 -1.02 0.00 0.00 32.46 31.60 2h3i n ARG 20 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2h3i n LEU 21 N 0.00 1.10 -4.85 0.55 4.77 0.14 -3.66 117.00 115.04 2h3i n LEU 21 Ca 0.02 0.18 -0.21 0.00 -0.03 0.00 0.00 56.01 55.97 2h3i n LEU 21 Cb 0.07 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 2h3i n LEU 21 CO 0.05 0.32 -0.05 -0.13 -1.33 0.00 0.00 177.39 176.25 2h3i s ARG 22 N -2.28 2.62 -0.02 3.23 0.52 -1.26 -3.25 118.95 118.50 2h3i s ARG 22 Ca -0.21 -1.42 -0.24 0.00 -0.52 0.00 0.00 55.73 53.34 2h3i s ARG 22 Cb 0.08 -2.41 -0.17 0.00 0.52 0.00 0.00 34.95 32.97 2h3i s ARG 22 CO 0.27 -0.03 1.11 -1.00 0.02 0.00 0.00 175.30 175.67 2h3i h PRO 23 N 1.17 -0.23 0.00 3.54 0.13 -1.96 -3.36 132.00 131.30 2h3i h PRO 23 Ca -0.43 0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 2h3i h PRO 23 Cb 1.26 0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 2h3i h PRO 23 CO 0.58 0.17 -1.63 0.41 -0.23 0.00 0.00 178.00 177.30 2h3i n GLY 24 N 0.15 -1.18 0.59 1.56 0.00 -1.26 -4.95 105.19 100.10 2h3i n GLY 24 Ca -0.09 -0.32 -0.05 0.00 0.00 0.00 0.00 46.02 45.56 2h3i n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3i n GLY 25 N 1.33 -3.61 0.37 -0.02 0.00 -1.26 -4.99 105.19 97.01 2h3i n GLY 25 Ca -0.08 -1.19 0.02 0.00 0.00 0.00 0.00 46.02 44.77 2h3i n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2h3i n LYS 26 N -2.57 0.28 -3.15 1.61 3.00 -1.26 -4.85 118.16 111.22 2h3i n LYS 26 Ca 0.02 -1.24 -0.32 0.00 -0.00 0.00 0.00 58.31 56.77 2h3i n LYS 26 Cb 0.11 -0.68 -0.06 0.00 0.00 0.00 0.00 35.03 34.39 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2h3i s LYS 27 N -0.52 3.99 0.51 1.64 3.01 -1.26 -4.96 119.74 122.15 2h3i s LYS 27 Ca 0.06 0.65 0.00 0.00 -1.01 0.00 0.00 55.97 55.67 2h3i s LYS 27 Cb 0.05 -2.44 -0.00 0.00 -1.01 0.00 0.00 37.83 34.42 2h3i s LYS 27 CO 0.01 0.17 0.00 1.04 0.51 0.00 0.00 175.35 177.07 2h3i n GLN 28 N -0.35 0.77 -3.27 1.68 3.00 -1.26 0.23 117.38 118.18 2h3i n GLN 28 Ca 0.03 -3.69 -0.28 0.00 -0.01 0.00 0.00 57.00 53.05 2h3i n GLN 28 Cb 0.53 1.00 -0.03 0.00 0.00 0.00 0.00 30.24 31.75 2h3i n GLN 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2h3i s TYR 29 N -2.83 3.48 0.33 1.08 2.02 -1.05 -4.66 117.35 115.73 2h3i s TYR 29 Ca 0.00 0.65 -0.11 0.00 -0.37 0.00 0.00 57.07 57.25 2h3i s TYR 29 Cb 0.00 -2.12 0.02 0.00 -0.40 0.00 0.00 41.96 39.46 2h3i s TYR 29 CO 0.00 0.13 0.60 0.15 -1.57 0.00 0.00 175.55 174.86 2h3i s LYS 30 N -3.70 1.94 0.21 -0.62 1.02 -1.26 -4.12 119.74 113.21 2h3i s LYS 30 Ca 0.44 -1.48 -0.15 0.00 0.02 0.00 0.00 55.97 54.80 2h3i s LYS 30 Cb -0.11 0.52 0.22 0.00 -0.52 0.00 0.00 37.83 37.95 2h3i s LYS 30 CO 0.31 -0.85 1.61 -0.07 -0.92 0.00 0.00 175.35 175.43 2h3i h LEU 31 N 2.09 -0.81 -0.62 3.17 3.38 -1.99 -0.88 115.31 119.66 2h3i h LEU 31 Ca -0.28 0.21 0.12 0.00 0.09 0.00 0.00 57.88 58.02 2h3i h LEU 31 Cb 1.25 0.48 -0.11 0.00 0.09 0.00 0.00 40.66 42.36 2h3i h LEU 31 CO 0.37 -0.25 -0.17 1.17 0.09 0.00 0.00 178.44 179.65 2h3i n LYS 32 N -5.45 -0.07 -0.06 1.13 3.00 -1.26 0.15 118.16 115.60 2h3i n LYS 32 Ca 0.07 0.96 -0.12 0.00 -0.00 0.00 0.00 58.31 59.23 2h3i n LYS 32 Cb 0.36 -1.43 -0.06 0.00 0.00 0.00 0.00 35.03 33.90 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2h3i h HIS 33 N 0.00 0.37 -0.98 5.64 3.86 -1.57 -1.04 115.15 121.42 2h3i h HIS 33 Ca 0.28 -0.07 0.23 0.00 -1.16 0.00 0.00 60.37 59.65 2h3i h HIS 33 Cb 0.44 -0.09 -0.08 0.00 1.06 0.00 0.00 27.41 28.73 2h3i h HIS 33 CO -0.49 0.58 0.64 0.82 0.86 0.00 0.00 177.93 180.34 2h3i h ILE 34 N 0.06 0.61 0.03 2.45 2.04 0.15 -0.63 117.51 122.22 2h3i h ILE 34 Ca 0.05 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 2h3i h ILE 34 Cb 0.45 0.15 0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2h3i h ILE 34 CO 0.01 0.08 -0.21 0.58 0.00 0.00 0.00 178.15 178.62 2h3i h VAL 35 N 0.42 1.67 -0.24 1.67 2.07 -1.07 -0.23 116.25 120.55 2h3i h VAL 35 Ca 0.53 -2.24 0.07 0.00 0.82 0.00 0.00 66.70 65.88 2h3i h VAL 35 Cb 1.32 3.17 -0.01 0.00 -1.52 0.00 0.00 31.29 34.25 2h3i h VAL 35 CO -0.24 0.60 0.33 -0.25 0.02 0.00 0.00 177.57 178.03 2h3i h TRP 36 N -0.75 0.00 0.00 1.57 7.01 -0.18 0.15 115.95 123.75 2h3i h TRP 36 Ca -0.03 0.00 -0.31 0.00 2.11 0.00 0.00 58.89 60.66 2h3i h TRP 36 Cb 1.10 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 28.11 2h3i h TRP 36 CO 0.23 0.00 -1.81 0.00 -2.79 0.00 0.00 178.44 174.08 2h3i n ALA 37 N -2.23 0.97 -0.08 2.65 0.00 -0.34 -4.05 120.51 117.43 2h3i n ALA 37 Ca 0.03 -0.81 0.15 0.00 0.00 0.00 0.00 53.44 52.82 2h3i n ALA 37 Cb 0.46 -0.14 0.56 0.00 0.00 0.00 0.00 19.45 20.33 2h3i n ALA 37 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2h3i h SER 38 N -1.00 0.26 1.05 0.00 0.02 -0.66 0.45 113.55 113.68 2h3i h SER 38 Ca -0.47 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2h3i h SER 38 Cb 1.37 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2h3i h SER 38 CO -0.28 0.15 0.00 0.54 -1.14 0.00 0.00 176.83 176.09 2h3i n ARG 39 N -4.45 0.22 0.03 3.45 1.74 0.48 -3.24 116.66 114.89 2h3i n ARG 39 Ca 0.11 0.32 -0.22 0.00 -0.77 0.00 0.00 57.85 57.29 2h3i n ARG 39 Cb 0.48 -1.83 -0.14 0.00 -1.02 0.00 0.00 32.46 29.95 2h3i n ARG 39 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 2h3i h GLU 40 N 0.00 0.29 -0.64 5.56 4.57 -0.26 -3.37 114.58 120.72 2h3i h GLU 40 Ca 0.00 -0.49 0.13 0.00 -1.18 0.00 0.00 59.36 57.82 2h3i h GLU 40 Cb 0.53 0.18 -0.10 0.00 -0.16 0.00 0.00 28.75 29.20 2h3i h GLU 40 CO 0.00 1.24 0.08 -0.07 -1.18 0.00 0.00 179.01 179.08 2h3i h LEU 41 N -0.14 -0.13 -1.34 1.64 3.38 -1.41 0.21 115.31 117.52 2h3i h LEU 41 Ca -0.34 0.14 0.20 0.00 0.09 0.00 0.00 57.88 57.97 2h3i h LEU 41 Cb 1.90 0.22 -0.08 0.00 0.09 0.00 0.00 40.66 42.79 2h3i h LEU 41 CO 0.09 -0.06 0.61 -0.33 0.09 0.00 0.00 178.44 178.84 2h3i h GLU 42 N 0.19 0.52 0.00 1.13 5.08 -1.58 0.39 114.58 120.31 2h3i h GLU 42 Ca 0.35 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.62 2h3i h GLU 42 Cb 0.56 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2h3i h GLU 42 CO -0.49 0.34 -0.51 -0.09 -1.00 0.00 0.00 179.01 177.27 2h3i h ARG 43 N 0.54 0.00 -0.86 2.33 2.43 -0.84 -3.25 114.38 114.73 2h3i h ARG 43 Ca 0.51 0.00 -0.11 0.00 -0.81 0.00 0.00 59.98 59.57 2h3i h ARG 43 Cb 1.08 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.56 2h3i h ARG 43 CO -0.24 0.20 0.14 1.19 -1.51 0.00 0.00 179.97 179.75 2h3i n PHE 44 N -3.04 1.39 -1.48 2.20 3.72 0.11 -4.85 117.46 115.51 2h3i n PHE 44 Ca 0.01 -0.74 -0.17 0.00 -0.05 0.00 0.00 57.45 56.51 2h3i n PHE 44 Cb 0.64 -0.45 -0.07 0.00 -0.94 0.00 0.00 39.48 38.65 2h3i n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3i n ALA 45 N 0.05 -0.26 -2.86 4.37 0.00 -0.98 -4.94 120.51 115.90 2h3i n ALA 45 Ca 0.23 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.61 2h3i n ALA 45 Cb 0.93 -1.73 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 2h3i n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h3i s VAL 46 N -2.42 3.07 0.24 0.00 1.01 0.16 -5.02 120.40 117.44 2h3i s VAL 46 Ca 0.00 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 2h3i s VAL 46 Cb 0.00 -2.26 -0.09 0.00 0.00 0.00 0.00 36.38 34.03 2h3i s VAL 46 CO 0.00 0.55 1.28 0.20 0.00 0.00 0.00 175.10 177.13 2h3i s ASN 47 N -0.04 6.92 0.00 3.32 0.01 -1.26 -2.66 114.94 121.22 2h3i s ASN 47 Ca -0.03 2.45 0.15 0.00 -0.71 0.00 0.00 52.86 54.72 2h3i s ASN 47 Cb -0.14 -2.62 0.81 0.00 0.41 0.00 0.00 41.25 39.70 2h3i s ASN 47 CO 0.04 -0.48 1.39 -0.81 -1.51 0.00 0.00 177.10 175.73 2h3i n PRO 48 N 2.03 0.30 0.00 -0.60 -0.04 -1.26 -2.48 135.00 132.95 2h3i n PRO 48 Ca 0.04 0.10 0.15 0.00 -0.04 0.00 0.00 63.50 63.74 2h3i n PRO 48 Cb 0.43 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.09 2h3i n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h3i n GLY 49 N -0.03 -0.89 1.52 0.55 0.00 -1.26 -3.56 105.19 101.52 2h3i n GLY 49 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.83 2h3i n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h3i n LEU 50 N -0.87 4.46 -0.00 0.99 4.77 -1.03 -3.76 117.00 121.56 2h3i n LEU 50 Ca 0.17 -2.30 0.04 0.00 -0.03 0.00 0.00 56.01 53.90 2h3i n LEU 50 Cb 0.24 -0.65 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 2h3i n LEU 50 CO 0.21 0.61 -0.30 0.18 -1.33 0.00 0.00 177.39 176.76 2h3i n LEU 51 N 0.09 0.22 0.05 2.23 4.77 -1.23 -2.52 117.00 120.60 2h3i n LEU 51 Ca 0.24 -0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 2h3i n LEU 51 Cb 0.98 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.98 2h3i n LEU 51 CO 0.27 0.06 -0.08 1.05 -1.33 0.00 0.00 177.39 177.35 2h3i h GLU 52 N 0.00 0.00 -5.29 3.23 4.11 -1.83 -3.45 114.58 111.35 2h3i h GLU 52 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.80 2h3i h GLU 52 Cb 0.31 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.35 2h3i h GLU 52 CO 0.00 0.62 -0.65 0.95 0.07 0.00 0.00 179.01 180.00 2h3i s THR 53 N -2.77 4.05 0.54 -1.06 -4.23 -1.26 -4.98 115.64 105.92 2h3i s THR 53 Ca -0.01 -0.30 0.28 0.00 -1.18 0.00 0.00 61.69 60.48 2h3i s THR 53 Cb 0.09 -2.79 0.43 0.00 1.34 0.00 0.00 72.50 71.57 2h3i s THR 53 CO 0.81 0.49 1.95 0.77 -0.54 0.00 0.00 174.62 178.09 2h3i h SER 54 N 6.72 0.00 -0.07 3.99 4.64 -1.90 0.24 113.55 127.17 2h3i h SER 54 Ca -0.32 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.93 2h3i h SER 54 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2h3i h SER 54 CO 0.64 0.00 -0.14 -0.33 -0.87 0.00 0.00 176.83 176.13 2h3i h GLU 55 N 0.00 0.40 0.07 4.77 5.08 -1.94 -2.93 114.58 120.04 2h3i h GLU 55 Ca 0.32 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.56 2h3i h GLU 55 Cb 1.29 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2h3i h GLU 55 CO -0.00 0.54 -0.03 0.78 -1.00 0.00 0.00 179.01 179.30 2h3i h GLY 56 N 0.89 -0.10 0.77 -3.84 0.00 -0.68 -3.02 103.07 97.09 2h3i h GLY 56 Ca 0.07 0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.47 2h3i h GLY 56 CO 0.03 -0.04 0.21 0.00 0.00 0.00 0.00 176.54 176.74 2h3i h ARG 58 N 0.42 0.11 0.09 0.00 1.12 -1.39 0.48 114.38 115.20 2h3i h ARG 58 Ca 0.18 -0.01 -0.35 0.00 -1.11 0.00 0.00 59.98 58.70 2h3i h ARG 58 Cb 0.10 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.01 2h3i h ARG 58 CO -0.13 0.07 -1.94 1.04 -3.11 0.00 0.00 179.97 175.89 2h3i n GLN 59 N -4.45 0.72 0.24 0.20 1.13 -0.65 -3.34 117.38 111.22 2h3i n GLN 59 Ca 0.34 0.26 0.09 0.00 -1.94 0.00 0.00 57.00 55.75 2h3i n GLN 59 Cb 1.40 -1.72 0.62 0.00 0.11 0.00 0.00 30.24 30.65 2h3i n GLN 59 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2h3i h ILE 60 N 0.05 0.88 0.00 5.09 2.04 0.12 -2.01 117.51 123.67 2h3i h ILE 60 Ca -0.40 -0.54 -0.14 0.00 1.00 0.00 0.00 64.86 64.78 2h3i h ILE 60 Cb 2.03 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.40 2h3i h ILE 60 CO 0.08 0.14 -1.04 -0.07 0.00 0.00 0.00 178.15 177.26 2h3i h LEU 61 N 0.00 0.00 -0.90 1.44 3.38 -0.42 -3.28 115.31 115.54 2h3i h LEU 61 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2h3i h LEU 61 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2h3i h LEU 61 CO 0.02 0.54 -0.50 1.23 0.09 0.00 0.00 178.44 179.82 2h3i h GLY 62 N 3.62 0.13 0.30 0.83 0.00 -1.37 0.15 103.07 106.73 2h3i h GLY 62 Ca -0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2h3i h GLY 62 CO 0.05 0.12 -0.05 1.46 0.00 0.00 0.00 176.54 178.13 2h3i h GLN 63 N 0.09 0.04 0.00 4.80 1.08 -1.60 -3.28 115.11 116.24 2h3i h GLN 63 Ca 0.00 -0.04 -0.05 0.00 -1.45 0.00 0.00 58.65 57.11 2h3i h GLN 63 Cb 0.92 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 2h3i h GLN 63 CO 0.07 0.78 -0.23 -0.07 -0.95 0.00 0.00 178.83 178.43 2h3i h LEU 64 N -0.69 0.00 -0.12 1.46 3.38 -1.61 -3.31 115.31 114.42 2h3i h LEU 64 Ca -0.01 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2h3i h LEU 64 Cb 0.80 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 2h3i h LEU 64 CO 0.01 0.23 -0.41 1.56 0.09 0.00 0.00 178.44 179.93 2h3i h GLN 65 N 0.00 -0.41 0.00 1.13 1.08 -0.74 0.44 115.11 116.62 2h3i h GLN 65 Ca -0.00 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.23 2h3i h GLN 65 Cb 0.86 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2h3i h GLN 65 CO 0.03 -0.27 0.00 -0.35 -0.95 0.00 0.00 178.83 177.29 2h3i n PRO 66 N -4.70 0.47 -0.00 1.46 -0.04 -1.25 -1.88 135.00 129.06 2h3i n PRO 66 Ca -0.04 0.01 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 2h3i n PRO 66 Cb 0.28 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.16 2h3i n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2h3i n SER 67 N -1.02 0.97 0.28 3.54 7.64 0.56 -4.41 113.62 121.18 2h3i n SER 67 Ca 0.11 -0.59 0.14 0.00 1.01 0.00 0.00 58.87 59.54 2h3i n SER 67 Cb 0.06 1.17 0.73 0.00 -1.01 0.00 0.00 64.21 65.15 2h3i n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2h3i h LEU 68 N 0.00 0.00 0.00 -3.43 3.38 0.46 0.76 115.31 116.48 2h3i h LEU 68 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2h3i h LEU 68 Cb 0.40 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 2h3i h LEU 68 CO 0.00 0.00 -2.31 1.67 0.09 0.00 0.00 178.44 177.89 2h3i n GLN 69 N -2.65 0.56 0.10 1.13 7.27 -1.26 -4.41 117.38 118.12 2h3i n GLN 69 Ca -0.02 0.15 0.12 0.00 0.07 0.00 0.00 57.00 57.33 2h3i n GLN 69 Cb 0.30 -1.43 0.45 0.00 2.41 0.00 0.00 30.24 31.97 2h3i n GLN 69 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2h3i n THR 70 N -3.38 0.69 -3.48 1.69 -1.04 -0.63 -4.80 114.28 103.34 2h3i n THR 70 Ca -0.42 0.01 -0.19 0.00 -2.04 0.00 0.00 64.05 61.41 2h3i n THR 70 Cb 0.91 -0.88 -0.01 0.00 -1.82 0.00 0.00 70.33 68.53 2h3i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2h3i s GLY 71 N -3.48 1.82 0.00 3.41 0.00 0.26 -5.08 107.32 104.24 2h3i s GLY 71 Ca 0.08 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.16 2h3i s GLY 71 CO 0.47 -1.51 0.00 -1.14 0.00 0.00 0.00 173.10 170.92 2h3i n SER 72 N -1.60 0.00 0.27 1.64 3.41 -1.26 -4.86 113.62 111.22 2h3i n SER 72 Ca 0.02 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.81 2h3i n SER 72 Cb 0.59 0.00 0.90 0.00 -0.26 0.00 0.00 64.21 65.44 2h3i n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2h3i h GLU 73 N 0.00 0.00 -0.37 4.33 5.08 -1.99 -2.12 114.58 119.51 2h3i h GLU 73 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2h3i h GLU 73 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2h3i h GLU 73 CO 0.00 0.00 -0.31 0.93 -1.00 0.00 0.00 179.01 178.63 2h3i h GLU 74 N 0.00 0.82 0.00 2.33 5.08 -2.00 -1.52 114.58 119.29 2h3i h GLU 74 Ca 0.00 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 57.94 2h3i h GLU 74 Cb 0.17 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2h3i h GLU 74 CO 0.00 1.02 -0.17 1.25 -1.00 0.00 0.00 179.01 180.11 2h3i h LEU 75 N 0.69 0.00 0.00 1.33 6.46 -1.72 -3.21 115.31 118.86 2h3i h LEU 75 Ca 0.07 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.62 2h3i h LEU 75 Cb 0.86 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.76 2h3i h LEU 75 CO 0.08 0.17 -1.06 0.03 -0.62 0.00 0.00 178.44 177.04 2h3i h ARG 76 N 0.00 0.00 -0.23 1.25 3.08 -1.33 -3.17 114.38 113.98 2h3i h ARG 76 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 2h3i h ARG 76 Cb 1.11 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 2h3i h ARG 76 CO 0.02 0.87 -0.34 0.77 -1.07 0.00 0.00 179.97 180.22 2h3i h SER 77 N 0.00 0.52 0.26 7.04 0.02 -1.28 -2.86 113.55 117.25 2h3i h SER 77 Ca -0.05 -0.21 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 2h3i h SER 77 Cb 1.77 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 64.16 2h3i h SER 77 CO 0.12 0.82 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.43 2h3i h LEU 78 N 0.42 -0.30 -0.93 5.07 -0.00 -1.63 -2.93 115.31 115.02 2h3i h LEU 78 Ca 0.05 -0.23 0.23 0.00 -0.00 0.00 0.00 57.88 57.92 2h3i h LEU 78 Cb 0.80 0.08 -0.12 0.00 -0.00 0.00 0.00 40.66 41.42 2h3i h LEU 78 CO 0.07 0.15 0.47 0.22 -0.00 0.00 0.00 178.44 179.34 2h3i h TYR 79 N -0.84 0.78 0.00 1.13 3.20 -1.58 0.89 116.97 120.55 2h3i h TYR 79 Ca -0.04 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2h3i h TYR 79 Cb 0.51 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2h3i h TYR 79 CO 0.05 -0.00 -0.20 -0.91 -1.64 0.00 0.00 178.16 175.46 2h3i h ASN 80 N 0.47 0.00 0.00 -2.11 4.21 -1.51 -1.68 115.58 114.96 2h3i h ASN 80 Ca 0.59 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.10 2h3i h ASN 80 Cb 1.11 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.31 2h3i h ASN 80 CO -0.50 0.20 -0.22 0.74 -1.29 0.00 0.00 177.43 176.36 2h3i h THR 81 N 0.00 0.00 -1.12 2.81 2.02 0.75 -3.32 112.91 114.05 2h3i h THR 81 Ca -0.00 -0.55 0.33 0.00 0.77 0.00 0.00 66.41 66.95 2h3i h THR 81 Cb 0.41 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.70 2h3i h THR 81 CO 0.03 0.00 0.70 0.40 0.37 0.00 0.00 175.52 177.02 2h3i h ILE 82 N -0.55 0.36 -0.48 3.11 2.04 -0.34 0.30 117.51 121.95 2h3i h ILE 82 Ca 0.00 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2h3i h ILE 82 Cb 0.22 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.31 2h3i h ILE 82 CO 0.00 0.05 0.29 0.00 0.00 0.00 0.00 178.15 178.49 2h3i h ALA 83 N 1.66 0.61 -0.99 1.87 0.00 -1.48 -2.14 119.26 118.78 2h3i h ALA 83 Ca 0.69 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.72 2h3i h ALA 83 Cb 1.85 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 2h3i h ALA 83 CO -0.40 -0.01 0.62 0.28 0.00 0.00 0.00 179.25 179.75 2h3i h VAL 84 N 0.58 0.89 0.11 0.00 2.07 -0.50 -2.21 116.25 117.18 2h3i h VAL 84 Ca 0.19 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2h3i h VAL 84 Cb -0.00 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.65 2h3i h VAL 84 CO -0.08 0.17 -0.05 0.25 0.02 0.00 0.00 177.57 177.88 2h3i h LEU 85 N 0.93 -0.13 -0.63 2.57 5.85 -1.29 -1.90 115.31 120.71 2h3i h LEU 85 Ca 0.50 -0.26 0.12 0.00 0.84 0.00 0.00 57.88 59.08 2h3i h LEU 85 Cb 0.57 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 41.51 2h3i h LEU 85 CO -0.27 0.20 -0.26 0.22 -0.34 0.00 0.00 178.44 177.99 2h3i h TYR 86 N -0.47 -0.66 -0.46 1.25 3.20 -0.82 0.28 116.97 119.29 2h3i h TYR 86 Ca -0.02 0.07 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 2h3i h TYR 86 Cb 0.38 0.38 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 2h3i h TYR 86 CO 0.03 -0.34 0.07 0.00 -1.64 0.00 0.00 178.16 176.28 2h3i h VAL 88 N 0.69 1.13 0.07 0.00 2.07 0.32 0.46 116.25 120.99 2h3i h VAL 88 Ca 0.15 -0.42 -0.25 0.00 0.82 0.00 0.00 66.70 67.00 2h3i h VAL 88 Cb 0.32 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 2h3i h VAL 88 CO 0.00 0.16 -1.17 0.45 0.02 0.00 0.00 177.57 177.03 2h3i h HIS 89 N 0.44 0.28 -0.17 1.57 -0.00 -0.55 -3.23 115.15 113.49 2h3i h HIS 89 Ca 0.11 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 2h3i h HIS 89 Cb 0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.51 2h3i h HIS 89 CO 0.00 1.17 0.00 1.04 -0.00 0.00 0.00 177.93 180.14 2h3i n GLN 90 N -3.44 2.03 -3.06 2.45 1.13 -0.85 -4.84 117.38 110.79 2h3i n GLN 90 Ca -0.06 -0.88 -0.23 0.00 -1.94 0.00 0.00 57.00 53.90 2h3i n GLN 90 Cb 0.99 -1.65 0.03 0.00 0.11 0.00 0.00 30.24 29.72 2h3i n GLN 90 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2h3i n ARG 91 N 0.17 -4.82 -3.57 -1.09 3.00 -1.08 -4.96 116.66 104.32 2h3i n ARG 91 Ca 0.08 0.87 -0.39 0.00 -0.01 0.00 0.00 57.85 58.40 2h3i n ARG 91 Cb 0.48 -5.73 -0.11 0.00 0.00 0.00 0.00 32.46 27.10 2h3i n ARG 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2h3i s ILE 92 N -3.16 5.20 -0.33 0.55 1.01 0.16 -5.03 121.20 119.60 2h3i s ILE 92 Ca 0.32 -0.11 -0.13 0.00 0.00 0.00 0.00 60.65 60.73 2h3i s ILE 92 Cb -0.14 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 2h3i s ILE 92 CO 0.39 0.09 0.25 -1.81 0.00 0.00 0.00 174.94 173.86 2h3i s ASP 93 N 1.72 6.07 0.48 3.58 1.01 -1.26 -4.12 116.67 124.15 2h3i s ASP 93 Ca 0.06 -0.32 0.08 0.00 0.71 0.00 0.00 52.55 53.09 2h3i s ASP 93 Cb -0.17 -2.14 0.03 0.00 1.01 0.00 0.00 42.92 41.65 2h3i s ASP 93 CO 0.10 -0.21 0.59 0.68 0.21 0.00 0.00 175.17 176.54 2h3i s VAL 94 N 1.76 2.55 -0.95 -1.27 -7.23 -1.26 -5.03 120.40 108.97 2h3i s VAL 94 Ca 0.07 -1.10 0.22 0.00 -1.81 0.00 0.00 61.98 59.36 2h3i s VAL 94 Cb -0.17 -2.65 -0.15 0.00 0.56 0.00 0.00 36.38 33.96 2h3i s VAL 94 CO 0.11 0.00 1.05 0.29 -0.31 0.00 0.00 175.10 176.24 2h3i n LYS 95 N -1.92 0.03 0.00 4.82 4.01 -1.26 -4.78 118.16 119.07 2h3i n LYS 95 Ca 0.09 -0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.88 2h3i n LYS 95 Cb 0.61 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.62 2h3i n LYS 95 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2h3i n ASP 96 N -1.55 0.00 0.00 4.39 5.68 -1.26 -4.54 116.55 119.27 2h3i n ASP 96 Ca 0.04 0.00 0.05 0.00 -0.50 0.00 0.00 54.79 54.38 2h3i n ASP 96 Cb 0.34 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.55 2h3i n ASP 96 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2h3i n THR 97 N -0.11 1.13 -0.07 2.12 -1.04 -1.20 -2.44 114.28 112.67 2h3i n THR 97 Ca 0.00 0.28 -0.06 0.00 -2.04 0.00 0.00 64.05 62.24 2h3i n THR 97 Cb 0.00 -1.12 -0.03 0.00 -1.82 0.00 0.00 70.33 67.37 2h3i n THR 97 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2h3i h LYS 98 N 0.00 0.00 0.00 -2.82 1.63 -1.91 -3.10 116.57 110.37 2h3i h LYS 98 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2h3i h LYS 98 Cb 0.14 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2h3i h LYS 98 CO 0.00 0.18 0.00 0.93 -3.45 0.00 0.00 179.45 177.11 2h3i h GLU 99 N -1.00 0.00 0.04 1.90 4.39 -1.92 -2.24 114.58 115.75 2h3i h GLU 99 Ca -0.04 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 2h3i h GLU 99 Cb 0.45 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2h3i h GLU 99 CO -0.02 0.00 -0.49 0.00 -1.16 0.00 0.00 179.01 177.34 2h3i h ALA 100 N 2.04 0.04 -0.40 3.43 0.00 -1.61 -3.12 119.26 119.63 2h3i h ALA 100 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 2h3i h ALA 100 Cb 0.09 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2h3i h ALA 100 CO 0.00 0.26 0.21 1.25 0.00 0.00 0.00 179.25 180.97 2h3i h LEU 101 N -0.80 0.52 -0.78 0.00 7.12 -1.37 -2.77 115.31 117.22 2h3i h LEU 101 Ca -0.11 -0.11 0.04 0.00 0.13 0.00 0.00 57.88 57.84 2h3i h LEU 101 Cb 1.25 -0.13 -0.05 0.00 -0.53 0.00 0.00 40.66 41.20 2h3i h LEU 101 CO 0.01 0.48 0.49 -0.78 -0.13 0.00 0.00 178.44 178.50 2h3i h ASP 102 N 0.52 0.79 -0.61 1.25 3.58 -1.58 0.09 116.42 120.46 2h3i h ASP 102 Ca 0.14 0.01 0.18 0.00 0.42 0.00 0.00 57.03 57.77 2h3i h ASP 102 Cb 0.08 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 40.95 2h3i h ASP 102 CO -0.02 0.53 0.53 0.50 -2.88 0.00 0.00 179.24 177.91 2h3i h LYS 103 N 0.93 0.00 0.04 0.28 1.63 -1.42 0.32 116.57 118.35 2h3i h LYS 103 Ca 0.32 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 59.77 2h3i h LYS 103 Cb 0.07 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.65 2h3i h LYS 103 CO -0.13 0.00 -2.14 -0.89 -3.45 0.00 0.00 179.45 172.84 2h3i n ILE 104 N -3.96 1.60 0.19 2.00 5.41 -0.38 -3.50 119.36 120.73 2h3i n ILE 104 Ca 0.12 -0.70 0.03 0.00 1.00 0.00 0.00 62.75 63.20 2h3i n ILE 104 Cb 0.77 -1.28 0.37 0.00 -0.71 0.00 0.00 39.64 38.80 2h3i n ILE 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2h3i h GLU 105 N 0.02 0.00 0.00 0.38 4.81 0.61 -2.56 114.58 117.85 2h3i h GLU 105 Ca -0.46 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.57 2h3i h GLU 105 Cb 2.03 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 31.38 2h3i h GLU 105 CO 0.03 0.35 -1.04 1.49 -0.73 0.00 0.00 179.01 179.11 2h3i h GLU 106 N 0.00 0.00 -0.28 1.92 4.57 -0.63 -3.29 114.58 116.87 2h3i h GLU 106 Ca -0.00 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 2h3i h GLU 106 Cb 0.63 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2h3i h GLU 106 CO 0.05 0.78 -0.37 0.93 -1.18 0.00 0.00 179.01 179.21 2h3i h GLU 107 N 0.00 0.65 -0.16 1.92 5.08 -1.52 -2.94 114.58 117.61 2h3i h GLU 107 Ca -0.06 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 57.91 2h3i h GLU 107 Cb 1.72 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.95 2h3i h GLU 107 CO 0.10 0.91 -0.20 0.37 -1.00 0.00 0.00 179.01 179.20 2h3i h GLN 108 N 0.54 0.28 -0.37 2.33 5.75 -1.55 -2.96 115.11 119.13 2h3i h GLN 108 Ca 0.05 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.51 2h3i h GLN 108 Cb 0.88 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.36 2h3i h GLN 108 CO 0.08 0.48 0.13 -0.91 -2.65 0.00 0.00 178.83 175.95 2h3i h ASN 109 N 0.26 0.13 -0.74 -0.69 4.21 -1.58 -1.26 115.58 115.91 2h3i h ASN 109 Ca 0.05 0.04 0.13 0.00 1.21 0.00 0.00 56.30 57.73 2h3i h ASN 109 Cb 0.51 0.03 -0.05 0.00 -1.12 0.00 0.00 38.32 37.69 2h3i h ASN 109 CO 0.03 0.11 0.49 0.50 -1.29 0.00 0.00 177.43 177.28 2h3i h LYS 110 N 0.28 0.48 -0.95 0.81 3.64 -1.57 0.78 116.57 120.04 2h3i h LYS 110 Ca 0.17 -0.03 -0.50 0.00 -1.27 0.00 0.00 60.65 59.02 2h3i h LYS 110 Cb 0.15 -0.11 -0.29 0.00 -0.41 0.00 0.00 32.23 31.57 2h3i h LYS 110 CO -0.18 0.32 0.61 0.43 -2.27 0.00 0.00 179.45 178.36 2h3i n SER 111 N -4.49 3.80 0.20 4.20 7.64 -0.54 -4.50 113.62 119.93 2h3i n SER 111 Ca 0.14 -3.63 0.04 0.00 1.01 0.00 0.00 58.87 56.42 2h3i n SER 111 Cb 0.46 -0.83 0.40 0.00 -1.01 0.00 0.00 64.21 63.23 2h3i n SER 111 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2h3i h LYS 112 N 1.04 0.00 0.00 1.43 2.10 -0.17 -2.68 116.57 118.29 2h3i h LYS 112 Ca 0.61 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 59.06 2h3i h LYS 112 Cb 2.71 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 34.01 2h3i h LYS 112 CO 1.07 0.33 -1.19 -0.22 -2.00 0.00 0.00 179.45 177.45 2h3i h LYS 113 N 0.00 0.00 -0.99 0.07 1.63 -1.81 -3.31 116.57 112.16 2h3i h LYS 113 Ca -0.00 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.39 2h3i h LYS 113 Cb 0.61 0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 32.00 2h3i h LYS 113 CO 0.04 0.60 0.52 1.17 -3.45 0.00 0.00 179.45 178.33 2h3i n LYS 114 N -3.13 2.07 -1.31 1.90 4.81 -1.03 -4.05 118.16 117.41 2h3i n LYS 114 Ca -0.06 -2.44 -0.04 0.00 -0.87 0.00 0.00 58.31 54.89 2h3i n LYS 114 Cb 0.90 -1.96 -0.03 0.00 0.02 0.00 0.00 35.03 33.97 2h3i n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2h3i n ALA 115 N -0.80 3.41 -0.06 3.14 0.00 -1.06 -4.92 120.51 120.22 2h3i n ALA 115 Ca 0.48 -1.06 -0.02 0.00 0.00 0.00 0.00 53.44 52.84 2h3i n ALA 115 Cb 1.44 -0.47 -0.15 0.00 0.00 0.00 0.00 19.45 20.28 2h3i n ALA 115 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2h3i n GLN 116 N -0.10 0.80 -0.28 0.00 7.27 -1.25 -3.82 117.38 120.00 2h3i n GLN 116 Ca -0.20 -0.08 -0.03 0.00 0.07 0.00 0.00 57.00 56.76 2h3i n GLN 116 Cb 0.80 -1.48 0.08 0.00 2.41 0.00 0.00 30.24 32.05 2h3i n GLN 116 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 2h3i h GLN 117 N 0.00 0.98 0.00 3.69 5.75 -1.91 -2.52 115.11 121.10 2h3i h GLN 117 Ca -0.31 -0.06 -0.21 0.00 -0.15 0.00 0.00 58.65 57.91 2h3i h GLN 117 Cb 1.69 -0.22 -0.03 0.00 1.07 0.00 0.00 27.48 29.98 2h3i h GLN 117 CO 0.02 0.65 -1.07 0.00 -2.65 0.00 0.00 178.83 175.78 2h3i h ALA 118 N 1.31 0.43 -1.60 3.38 0.00 -1.97 -3.38 119.26 117.44 2h3i h ALA 118 Ca 0.30 -0.95 -0.78 0.00 0.00 0.00 0.00 54.91 53.47 2h3i h ALA 118 Cb -0.05 -0.06 -0.23 0.00 0.00 0.00 0.00 17.79 17.45 2h3i h ALA 118 CO -0.09 1.25 1.24 0.00 0.00 0.00 0.00 179.25 181.65 2h3i n ALA 119 N -2.37 5.07 -2.51 0.00 0.00 -0.95 -4.38 120.51 115.37 2h3i n ALA 119 Ca -0.02 -4.58 -0.01 0.00 0.00 0.00 0.00 53.44 48.83 2h3i n ALA 119 Cb 0.94 -2.64 0.05 0.00 0.00 0.00 0.00 19.45 17.80 2h3i n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3i n ALA 120 N 2.67 0.15 -2.16 0.00 0.00 -1.24 -4.80 120.51 115.13 2h3i n ALA 120 Ca 0.32 -0.42 0.04 0.00 0.00 0.00 0.00 53.44 53.38 2h3i n ALA 120 Cb 0.35 -0.61 0.07 0.00 0.00 0.00 0.00 19.45 19.26 2h3i n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2h3i n ASP 121 N -0.62 1.12 -4.35 0.00 -0.08 -1.26 -5.04 116.55 106.31 2h3i n ASP 121 Ca -0.08 -2.51 -0.37 0.00 -1.51 0.00 0.00 54.79 50.32 2h3i n ASP 121 Cb 0.65 -0.35 -0.13 0.00 2.34 0.00 0.00 41.12 43.63 2h3i n ASP 121 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2h3i s THR 122 N -0.91 4.00 -0.59 5.18 -4.23 -1.26 -5.06 115.64 112.76 2h3i s THR 122 Ca 0.31 -0.63 -0.24 0.00 -1.18 0.00 0.00 61.69 59.94 2h3i s THR 122 Cb 0.33 -3.04 0.05 0.00 1.34 0.00 0.00 72.50 71.18 2h3i s THR 122 CO -0.12 0.11 0.98 -0.83 -0.54 0.00 0.00 174.62 174.23 2h3i s GLY 123 N 1.51 1.35 -0.14 3.99 0.00 -1.26 -5.02 107.32 107.75 2h3i s GLY 123 Ca 0.03 -1.36 -0.03 0.00 0.00 0.00 0.00 44.72 43.36 2h3i s GLY 123 CO 0.02 2.12 -0.03 -1.31 0.00 0.00 0.00 173.10 173.90 2h3i s ASN 124 N 3.10 4.87 -0.34 1.64 -0.87 -1.26 -5.09 114.94 116.99 2h3i s ASN 124 Ca 0.29 -0.08 -0.12 0.00 -1.57 0.00 0.00 52.86 51.38 2h3i s ASN 124 Cb -0.13 -1.70 -0.01 0.00 -0.02 0.00 0.00 41.25 39.38 2h3i s ASN 124 CO 0.17 0.21 0.22 0.21 -2.57 0.00 0.00 177.10 175.34 2h3i s ASN 125 N 0.13 5.93 0.09 -1.22 2.47 -1.26 -5.08 114.94 116.00 2h3i s ASN 125 Ca -0.01 -0.48 0.06 0.00 0.42 0.00 0.00 52.86 52.86 2h3i s ASN 125 Cb -0.13 -2.10 -0.04 0.00 -1.45 0.00 0.00 41.25 37.52 2h3i s ASN 125 CO 0.03 -0.24 -0.09 -0.44 -3.72 0.00 0.00 177.10 172.64 2h3i s SER 126 N 1.69 4.48 0.00 -4.21 0.01 -1.26 -5.01 113.70 109.40 2h3i s SER 126 Ca 0.06 -0.33 0.03 0.00 1.31 0.00 0.00 55.95 57.02 2h3i s SER 126 Cb -0.17 -0.90 0.06 0.00 0.21 0.00 0.00 66.02 65.21 2h3i s SER 126 CO 0.09 0.19 1.00 0.00 0.41 0.00 0.00 173.24 174.94 2h3i n GLN 127 N 0.81 0.00 -0.68 12.44 10.64 -1.26 -4.92 117.38 134.41 2h3i n GLN 127 Ca -0.13 -1.09 0.06 0.00 -1.83 0.00 0.00 57.00 54.01 2h3i n GLN 127 Cb 0.52 0.41 0.15 0.00 -0.86 0.00 0.00 30.24 30.46 2h3i n GLN 127 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.06 176.56 2h3i n VAL 128 N 0.07 1.62 -4.27 -0.39 0.24 -1.26 -5.05 118.33 109.29 2h3i n VAL 128 Ca -0.22 -2.49 -0.15 0.00 -2.04 0.00 0.00 64.34 59.44 2h3i n VAL 128 Cb 0.75 0.03 -0.10 0.00 -1.47 0.00 0.00 33.84 33.05 2h3i n VAL 128 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2h3i s SER 129 N -2.83 0.75 -0.32 -1.34 0.15 -1.26 -5.07 113.70 103.78 2h3i s SER 129 Ca 0.34 -1.40 0.09 0.00 0.70 0.00 0.00 55.95 55.68 2h3i s SER 129 Cb 0.34 0.27 0.46 0.00 -1.71 0.00 0.00 66.02 65.38 2h3i s SER 129 CO -0.07 -0.79 1.15 0.00 1.20 0.00 0.00 173.24 174.74 2h3i n GLN 130 N -0.39 3.28 -3.54 5.44 -0.00 -1.26 -4.98 117.38 115.93 2h3i n GLN 130 Ca 0.01 -4.14 -0.06 0.00 -0.00 0.00 0.00 57.00 52.81 2h3i n GLN 130 Cb 0.66 -2.16 -0.07 0.00 -0.00 0.00 0.00 30.24 28.66 2h3i n GLN 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 2h3i s ASN 131 N -3.59 -0.40 0.00 2.61 2.20 -1.26 -5.30 114.94 109.19 2h3i s ASN 131 Ca 0.47 0.91 0.02 0.00 -0.94 0.00 0.00 52.86 53.32 2h3i s ASN 131 Cb 0.40 1.54 0.12 0.00 -2.00 0.00 0.00 41.25 41.30 2h3i s ASN 131 CO -0.02 -0.25 0.61 0.00 -2.94 0.00 0.00 177.10 174.50