#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3i s ALA 3 N 0.00 -1.90 -0.27 4.61 0.00 -1.26 -5.07 121.76 117.87 2h3i s ALA 3 Ca 0.00 1.89 -0.01 0.00 0.00 0.00 0.00 51.96 53.85 2h3i s ALA 3 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.85 2h3i s ALA 3 CO 0.00 -0.28 0.01 -2.13 0.00 0.00 0.00 175.76 173.37 2h3i n ARG 4 N 2.25 -3.26 -0.10 0.00 0.63 -1.26 -4.98 116.66 109.93 2h3i n ARG 4 Ca -0.13 2.65 -0.13 0.00 -0.92 0.00 0.00 57.85 59.32 2h3i n ARG 4 Cb 0.56 -4.94 0.12 0.00 0.45 0.00 0.00 32.46 28.65 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 0.84 -2.19 -2.42 5.13 0.00 -1.26 -4.77 120.51 115.84 2h3i n ALA 5 Ca -0.02 -0.64 -0.03 0.00 0.00 0.00 0.00 53.44 52.75 2h3i n ALA 5 Cb 0.09 -0.06 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 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 -3.99 -3.02 0.00 0.00 7.64 -1.26 -5.04 113.62 107.94 2h3i n SER 6 Ca 0.06 1.11 0.00 0.00 1.01 0.00 0.00 58.87 61.05 2h3i n SER 6 Cb 0.25 -4.47 0.00 0.00 -1.01 0.00 0.00 64.21 58.98 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 1.06 0.00 0.00 0.44 0.31 -1.26 -4.94 118.33 113.94 2h3i n VAL 7 Ca -0.21 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2h3i n VAL 7 Cb 0.33 -0.80 0.00 0.00 -0.91 0.00 0.00 33.84 32.46 2h3i n VAL 7 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2h3i n LEU 8 N -1.38 0.00 0.00 7.52 4.77 -1.26 -4.88 117.00 121.78 2h3i n LEU 8 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2h3i n LEU 8 Cb 0.00 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2h3i n LEU 8 CO 0.00 0.00 0.22 -1.20 -1.33 0.00 0.00 177.39 175.08 2h3i n SER 9 N 0.00 0.28 0.48 -1.43 7.64 -1.26 -4.77 113.62 114.56 2h3i n SER 9 Ca 0.00 -1.28 -0.19 0.00 1.01 0.00 0.00 58.87 58.41 2h3i n SER 9 Cb 0.00 -0.25 -0.09 0.00 -1.01 0.00 0.00 64.21 62.86 2h3i n SER 9 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2h3i h GLY 10 N -0.34 -1.27 -0.71 0.23 0.00 -1.98 0.39 103.07 99.38 2h3i h GLY 10 Ca -0.12 0.47 0.37 0.00 0.00 0.00 0.00 47.33 48.05 2h3i h GLY 10 CO 0.11 -0.46 0.81 -1.33 0.00 0.00 0.00 176.54 175.67 2h3i h GLY 11 N -1.22 1.08 1.25 4.60 0.00 -2.01 0.35 103.07 107.12 2h3i h GLY 11 Ca -0.12 -0.13 -0.32 0.00 0.00 0.00 0.00 47.33 46.76 2h3i h GLY 11 CO 0.20 -0.24 -1.51 -2.09 0.00 0.00 0.00 176.54 172.90 2h3i h GLU 12 N 0.18 0.36 -0.83 4.80 4.57 -1.87 -3.31 114.58 118.48 2h3i h GLU 12 Ca 0.72 -0.61 0.18 0.00 -1.18 0.00 0.00 59.36 58.46 2h3i h GLU 12 Cb 2.20 0.23 -0.06 0.00 -0.16 0.00 0.00 28.75 30.96 2h3i h GLU 12 CO -0.31 1.26 0.55 1.25 -1.18 0.00 0.00 179.01 180.58 2h3i h LEU 13 N 0.10 0.39 -1.74 1.64 5.85 0.39 0.97 115.31 122.91 2h3i h LEU 13 Ca -0.25 0.03 0.20 0.00 0.84 0.00 0.00 57.88 58.71 2h3i h LEU 13 Cb 2.07 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 43.00 2h3i h LEU 13 CO 0.20 0.18 0.56 -0.78 -0.34 0.00 0.00 178.44 178.26 2h3i h ASP 14 N 0.41 0.22 1.08 1.25 3.58 -1.49 0.38 116.42 121.84 2h3i h ASP 14 Ca 0.42 0.02 -0.11 0.00 0.42 0.00 0.00 57.03 57.79 2h3i h ASP 14 Cb 1.02 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 42.03 2h3i h ASP 14 CO -0.15 0.10 -0.98 0.11 -2.88 0.00 0.00 179.24 175.44 2h3i h LYS 15 N 0.23 0.00 0.13 0.28 1.57 -1.02 -3.25 116.57 114.51 2h3i h LYS 15 Ca 0.41 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.89 2h3i h LYS 15 Cb 1.25 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.58 2h3i h LYS 15 CO -0.09 0.27 -1.25 2.35 -0.57 0.00 0.00 179.45 180.16 2h3i h TRP 16 N 0.00 0.88 0.00 -1.35 2.91 -0.21 -3.17 115.95 115.02 2h3i h TRP 16 Ca -0.08 -0.57 0.00 0.00 1.13 0.00 0.00 58.89 59.37 2h3i h TRP 16 Cb 1.37 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.96 2h3i h TRP 16 CO 0.00 1.42 0.00 0.39 -1.03 0.00 0.00 178.44 179.22 2h3i n GLU 17 N -3.73 0.99 0.08 2.65 1.02 0.84 -2.95 120.64 119.55 2h3i n GLU 17 Ca -0.13 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.13 2h3i n GLU 17 Cb 1.00 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.98 2h3i n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2h3i h LYS 18 N 0.00 0.00 -6.50 3.49 3.64 -1.58 -3.37 116.57 112.25 2h3i h LYS 18 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 2h3i h LYS 18 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 2h3i h LYS 18 CO 0.00 0.00 0.33 0.42 -2.27 0.00 0.00 179.45 177.93 2h3i s ILE 19 N -3.27 4.59 0.80 2.00 1.01 -1.15 -4.92 121.20 120.25 2h3i s ILE 19 Ca 0.02 2.00 -0.12 0.00 0.00 0.00 0.00 60.65 62.56 2h3i s ILE 19 Cb 0.11 -4.29 0.07 0.00 0.01 0.00 0.00 42.46 38.36 2h3i s ILE 19 CO 0.77 0.30 1.14 -0.13 0.00 0.00 0.00 174.94 177.02 2h3i s ARG 20 N 0.14 2.08 -0.26 2.79 0.52 -1.26 -0.43 118.95 122.53 2h3i s ARG 20 Ca 0.46 0.30 -0.08 0.00 -0.52 0.00 0.00 55.73 55.89 2h3i s ARG 20 Cb -0.23 -1.95 -0.13 0.00 0.52 0.00 0.00 34.95 33.17 2h3i s ARG 20 CO 0.28 -1.55 -0.30 1.28 0.02 0.00 0.00 175.30 175.04 2h3i n LEU 21 N -3.32 2.21 -4.87 2.53 4.77 -0.60 -3.06 117.00 114.66 2h3i n LEU 21 Ca 0.07 0.18 -0.21 0.00 -0.03 0.00 0.00 56.01 56.02 2h3i n LEU 21 Cb 0.59 -0.80 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2h3i n LEU 21 CO 0.57 0.66 -0.04 -0.13 -1.33 0.00 0.00 177.39 177.13 2h3i s ARG 22 N -2.48 2.67 -0.02 3.23 3.00 -1.26 -3.14 118.95 120.94 2h3i s ARG 22 Ca -0.36 -1.38 -0.23 0.00 0.00 0.00 0.00 55.73 53.76 2h3i s ARG 22 Cb 0.12 -2.46 -0.17 0.00 0.00 0.00 0.00 34.95 32.45 2h3i s ARG 22 CO 0.50 -0.03 1.09 -1.00 0.00 0.00 0.00 175.30 175.86 2h3i h PRO 23 N 1.14 -0.26 -0.69 3.54 0.13 -1.95 -3.32 132.00 130.58 2h3i h PRO 23 Ca -0.43 0.02 -0.40 0.00 -0.87 0.00 0.00 66.00 64.31 2h3i h PRO 23 Cb 1.26 0.06 -0.23 0.00 0.13 0.00 0.00 31.00 32.22 2h3i h PRO 23 CO 0.57 0.12 0.23 0.41 -0.23 0.00 0.00 178.00 179.10 2h3i n GLY 24 N 0.13 5.07 0.00 1.56 0.00 -1.26 -4.95 105.19 105.74 2h3i n GLY 24 Ca -0.09 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.07 2.71 0.00 -0.02 0.00 -1.25 -5.06 105.19 100.50 2h3i n GLY 25 Ca 0.47 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.60 0.14 -2.61 1.61 4.81 -1.26 -4.93 118.16 115.32 2h3i n LYS 26 Ca 0.00 -0.41 -0.32 0.00 -0.87 0.00 0.00 58.31 56.71 2h3i n LYS 26 Cb 0.00 -0.67 -0.05 0.00 0.02 0.00 0.00 35.03 34.33 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2h3i s LYS 27 N -0.12 4.02 0.23 1.64 1.02 -1.26 -4.99 119.74 120.27 2h3i s LYS 27 Ca 0.00 0.94 0.00 0.00 0.02 0.00 0.00 55.97 56.93 2h3i s LYS 27 Cb 0.00 -2.19 0.00 0.00 -0.52 0.00 0.00 37.83 35.12 2h3i s LYS 27 CO 0.00 -0.15 0.01 0.00 -0.92 0.00 0.00 175.35 174.29 2h3i n GLN 28 N -1.20 1.42 -3.59 1.68 0.00 -1.26 -1.55 117.38 112.87 2h3i n GLN 28 Ca 0.06 -1.67 -0.34 0.00 0.00 0.00 0.00 57.00 55.05 2h3i n GLN 28 Cb 0.54 0.43 -0.05 0.00 0.00 0.00 0.00 30.24 31.15 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 -1.79 3.54 0.10 2.61 2.02 0.42 -4.56 117.35 119.70 2h3i s TYR 29 Ca 0.01 0.73 0.01 0.00 -0.37 0.00 0.00 57.07 57.45 2h3i s TYR 29 Cb -0.00 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.39 2h3i s TYR 29 CO 0.01 0.47 -0.04 0.21 -1.57 0.00 0.00 175.55 174.63 2h3i s LYS 30 N -2.19 0.82 0.28 -0.62 2.20 -1.26 -3.94 119.74 115.02 2h3i s LYS 30 Ca 0.36 -1.34 -0.02 0.00 -0.36 0.00 0.00 55.97 54.61 2h3i s LYS 30 Cb -0.13 -0.08 0.60 0.00 -1.51 0.00 0.00 37.83 36.72 2h3i s LYS 30 CO 0.20 -0.07 1.60 1.25 -0.36 0.00 0.00 175.35 177.97 2h3i h LEU 31 N 2.97 -0.45 -0.85 5.43 7.12 -1.99 0.21 115.31 127.76 2h3i h LEU 31 Ca -0.35 0.25 0.27 0.00 0.13 0.00 0.00 57.88 58.17 2h3i h LEU 31 Cb 1.17 0.44 -0.16 0.00 -0.53 0.00 0.00 40.66 41.58 2h3i h LEU 31 CO 0.64 -0.28 0.14 1.17 -0.13 0.00 0.00 178.44 179.99 2h3i n LYS 32 N -5.44 -0.06 -0.04 1.25 4.81 -1.26 0.82 118.16 118.25 2h3i n LYS 32 Ca 0.19 1.24 -0.13 0.00 -0.87 0.00 0.00 58.31 58.74 2h3i n LYS 32 Cb 0.62 -2.04 -0.08 0.00 0.02 0.00 0.00 35.03 33.56 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2h3i h HIS 33 N 0.00 0.24 0.43 5.64 3.86 -0.99 -1.50 115.15 122.84 2h3i h HIS 33 Ca 0.57 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.71 2h3i h HIS 33 Cb 1.29 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 29.68 2h3i h HIS 33 CO -0.31 0.59 -0.47 0.82 0.86 0.00 0.00 177.93 179.42 2h3i h ILE 34 N -0.17 0.08 -0.24 2.45 2.04 0.43 -1.76 117.51 120.34 2h3i h ILE 34 Ca 0.02 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.93 2h3i h ILE 34 Cb 0.53 0.08 -0.05 0.00 -0.74 0.00 0.00 36.82 36.64 2h3i h ILE 34 CO 0.02 0.00 -0.10 0.58 0.00 0.00 0.00 178.15 178.65 2h3i h VAL 35 N -0.92 0.67 -0.18 1.67 2.07 -1.27 0.29 116.25 118.58 2h3i h VAL 35 Ca -0.05 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.53 2h3i h VAL 35 Cb 0.81 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2h3i h VAL 35 CO -0.08 0.00 0.36 -0.25 0.02 0.00 0.00 177.57 177.61 2h3i h TRP 36 N -0.06 0.00 0.00 1.57 7.01 -1.06 0.20 115.95 123.61 2h3i h TRP 36 Ca 0.13 0.00 -0.27 0.00 2.11 0.00 0.00 58.89 60.85 2h3i h TRP 36 Cb 0.25 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 27.27 2h3i h TRP 36 CO -0.28 0.00 -1.50 0.00 -2.79 0.00 0.00 178.44 173.87 2h3i n ALA 37 N -2.11 0.86 -0.22 2.65 0.00 0.22 -3.90 120.51 118.00 2h3i n ALA 37 Ca 0.02 -0.61 0.03 0.00 0.00 0.00 0.00 53.44 52.88 2h3i n ALA 37 Cb 0.46 -0.40 0.28 0.00 0.00 0.00 0.00 19.45 19.78 2h3i n ALA 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2h3i h SER 38 N -1.00 0.81 0.69 0.00 4.64 0.17 0.99 113.55 119.85 2h3i h SER 38 Ca -0.41 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2h3i h SER 38 Cb 1.34 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2h3i h SER 38 CO -0.25 0.56 0.00 -1.14 -0.87 0.00 0.00 176.83 175.13 2h3i n ARG 39 N -4.45 0.13 -0.01 4.77 0.63 0.64 -2.86 116.66 115.50 2h3i n ARG 39 Ca 0.10 0.35 -0.21 0.00 -0.92 0.00 0.00 57.85 57.17 2h3i n ARG 39 Cb 0.12 -1.74 -0.14 0.00 0.45 0.00 0.00 32.46 31.16 2h3i n ARG 39 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2h3i n GLU 40 N -1.98 0.74 -0.24 -0.14 4.07 0.28 -4.25 120.64 119.13 2h3i n GLU 40 Ca 0.03 0.28 0.04 0.00 -0.06 0.00 0.00 57.16 57.45 2h3i n GLU 40 Cb 0.22 -1.70 0.16 0.00 -0.06 0.00 0.00 31.44 30.06 2h3i n GLU 40 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2h3i h LEU 41 N -0.02 0.20 -1.24 4.31 3.38 -1.23 0.10 115.31 120.82 2h3i h LEU 41 Ca -0.43 0.11 0.19 0.00 0.09 0.00 0.00 57.88 57.84 2h3i h LEU 41 Cb 1.97 0.10 -0.09 0.00 0.09 0.00 0.00 40.66 42.74 2h3i h LEU 41 CO 0.06 0.08 0.61 -0.33 0.09 0.00 0.00 178.44 178.95 2h3i h GLU 42 N 0.39 0.60 0.00 1.13 5.08 -1.46 0.37 114.58 120.69 2h3i h GLU 42 Ca 0.38 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 2h3i h GLU 42 Cb 0.57 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2h3i h GLU 42 CO -0.40 0.40 -0.54 -0.09 -1.00 0.00 0.00 179.01 177.38 2h3i h ARG 43 N 0.62 0.00 -0.91 2.33 1.12 -1.07 -3.27 114.38 113.21 2h3i h ARG 43 Ca 0.53 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 59.22 2h3i h ARG 43 Cb 1.00 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 30.86 2h3i h ARG 43 CO -0.28 0.19 0.22 1.19 -3.11 0.00 0.00 179.97 178.18 2h3i n PHE 44 N -3.02 1.47 -1.51 2.20 3.01 0.92 -4.83 117.46 115.69 2h3i n PHE 44 Ca 0.01 -0.91 -0.18 0.00 1.01 0.00 0.00 57.45 57.38 2h3i n PHE 44 Cb 0.64 -0.51 -0.08 0.00 -0.01 0.00 0.00 39.48 39.52 2h3i n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h3i n ALA 45 N -0.11 -0.27 -3.07 4.37 0.00 -1.00 -4.94 120.51 115.49 2h3i n ALA 45 Ca 0.26 0.29 -0.33 0.00 0.00 0.00 0.00 53.44 53.66 2h3i n ALA 45 Cb 1.00 -1.84 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.51 3.10 0.23 0.00 1.01 0.87 -5.01 120.40 118.09 2h3i s VAL 46 Ca 0.00 -0.64 -0.30 0.00 0.00 0.00 0.00 61.98 61.04 2h3i s VAL 46 Cb 0.00 -2.31 -0.09 0.00 0.00 0.00 0.00 36.38 33.98 2h3i s VAL 46 CO 0.00 0.52 1.31 0.20 0.00 0.00 0.00 175.10 177.14 2h3i s ASN 47 N 0.36 6.87 0.00 3.32 0.01 -1.26 -2.17 114.94 122.07 2h3i s ASN 47 Ca -0.10 2.48 0.15 0.00 -0.71 0.00 0.00 52.86 54.67 2h3i s ASN 47 Cb -0.16 -2.62 0.76 0.00 0.41 0.00 0.00 41.25 39.65 2h3i s ASN 47 CO 0.05 -0.53 1.40 -0.81 -1.51 0.00 0.00 177.10 175.71 2h3i n PRO 48 N 2.20 0.23 0.00 -0.60 -0.04 -1.26 -2.44 135.00 133.09 2h3i n PRO 48 Ca 0.05 0.13 0.15 0.00 -0.04 0.00 0.00 63.50 63.79 2h3i n PRO 48 Cb 0.42 -1.50 0.72 0.00 -0.04 0.00 0.00 33.50 33.10 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 -0.82 1.62 0.55 0.00 -1.26 -3.62 105.19 101.62 2h3i n GLY 49 Ca 0.07 -0.27 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.80 4.81 -0.00 0.99 4.77 -1.02 -3.74 117.00 122.01 2h3i n LEU 50 Ca 0.18 -2.50 0.01 0.00 -0.03 0.00 0.00 56.01 53.67 2h3i n LEU 50 Cb 0.23 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 40.64 2h3i n LEU 50 CO 0.20 0.69 -0.26 0.18 -1.33 0.00 0.00 177.39 176.88 2h3i n LEU 51 N -0.13 0.03 0.06 2.23 4.77 -1.24 -1.90 117.00 120.82 2h3i n LEU 51 Ca 0.29 -0.25 -0.06 0.00 -0.03 0.00 0.00 56.01 55.96 2h3i n LEU 51 Cb 1.08 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 42.07 2h3i n LEU 51 CO 0.31 0.01 0.09 1.05 -1.33 0.00 0.00 177.39 177.51 2h3i h GLU 52 N 0.00 0.00 -6.35 3.23 4.11 -1.82 -3.45 114.58 110.29 2h3i h GLU 52 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.36 58.74 2h3i h GLU 52 Cb 0.04 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.07 2h3i h GLU 52 CO 0.00 0.85 -0.77 0.95 0.07 0.00 0.00 179.01 180.12 2h3i s THR 53 N -2.73 3.11 0.41 -1.06 -4.23 -1.26 -5.01 115.64 104.86 2h3i s THR 53 Ca 0.01 -0.79 0.12 0.00 -1.18 0.00 0.00 61.69 59.84 2h3i s THR 53 Cb 0.09 -2.25 0.32 0.00 1.34 0.00 0.00 72.50 72.01 2h3i s THR 53 CO 0.81 0.53 1.95 -1.28 -0.54 0.00 0.00 174.62 176.09 2h3i h SER 54 N 5.12 0.47 -0.38 3.99 0.87 -1.91 -0.23 113.55 121.48 2h3i h SER 54 Ca -0.47 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.07 2h3i h SER 54 Cb 1.15 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.01 2h3i h SER 54 CO 0.50 0.28 0.14 -0.33 -0.53 0.00 0.00 176.83 176.89 2h3i h GLU 55 N 0.52 0.64 -0.34 2.24 4.39 -1.95 -2.85 114.58 117.23 2h3i h GLU 55 Ca 0.32 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.95 2h3i h GLU 55 Cb 0.54 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 2h3i h GLU 55 CO -0.10 0.56 0.16 0.78 -1.16 0.00 0.00 179.01 179.25 2h3i h GLY 56 N 0.82 0.46 0.86 -3.84 0.00 -1.19 -2.62 103.07 97.55 2h3i h GLY 56 Ca 0.15 -0.11 0.03 0.00 0.00 0.00 0.00 47.33 47.40 2h3i h GLY 56 CO -0.01 0.08 0.38 0.00 0.00 0.00 0.00 176.54 176.99 2h3i h ARG 58 N 0.74 0.17 0.14 0.00 1.12 -1.37 0.38 114.38 115.56 2h3i h ARG 58 Ca 0.25 -0.01 -0.30 0.00 -1.11 0.00 0.00 59.98 58.81 2h3i h ARG 58 Cb 0.03 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 29.95 2h3i h ARG 58 CO -0.11 0.11 -1.45 0.37 -3.11 0.00 0.00 179.97 175.78 2h3i h GLN 59 N 0.17 0.30 0.59 0.20 4.15 -1.25 -3.09 115.11 116.18 2h3i h GLN 59 Ca 0.57 -0.51 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 2h3i h GLN 59 Cb 1.90 0.19 0.01 0.00 0.21 0.00 0.00 27.48 29.79 2h3i h GLN 59 CO -0.14 1.20 -0.28 0.82 -1.93 0.00 0.00 178.83 178.49 2h3i h ILE 60 N 0.08 0.04 -0.89 2.39 2.04 0.13 -2.28 117.51 119.03 2h3i h ILE 60 Ca -0.22 -0.42 0.16 0.00 1.00 0.00 0.00 64.86 65.38 2h3i h ILE 60 Cb 2.03 0.07 -0.07 0.00 -0.74 0.00 0.00 36.82 38.10 2h3i h ILE 60 CO 0.19 0.01 0.58 -0.07 0.00 0.00 0.00 178.15 178.85 2h3i h LEU 61 N -1.19 0.61 -0.74 1.44 3.38 -0.83 -0.31 115.31 117.67 2h3i h LEU 61 Ca -0.08 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2h3i h LEU 61 Cb 0.62 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2h3i h LEU 61 CO 0.13 0.29 0.00 1.23 0.09 0.00 0.00 178.44 180.19 2h3i h GLY 62 N 0.63 1.05 0.90 0.83 0.00 -1.53 0.40 103.07 105.34 2h3i h GLY 62 Ca 0.46 -0.74 -0.11 0.00 0.00 0.00 0.00 47.33 46.94 2h3i h GLY 62 CO -0.21 0.68 -0.27 1.46 0.00 0.00 0.00 176.54 178.20 2h3i h GLN 63 N 0.89 0.59 0.00 4.80 4.20 -0.49 -3.03 115.11 122.06 2h3i h GLN 63 Ca 0.16 -0.33 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2h3i h GLN 63 Cb 0.52 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2h3i h GLN 63 CO 0.03 0.92 0.00 -0.07 -0.67 0.00 0.00 178.83 179.04 2h3i h LEU 64 N 0.28 0.00 0.32 1.46 3.38 -1.16 -3.34 115.31 116.24 2h3i h LEU 64 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 2h3i h LEU 64 Cb 0.84 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.55 2h3i h LEU 64 CO 0.06 0.00 -0.51 1.56 0.09 0.00 0.00 178.44 179.64 2h3i h GLN 65 N 0.00 -0.84 0.00 1.13 4.20 -0.06 0.58 115.11 120.11 2h3i h GLN 65 Ca 0.00 0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.77 2h3i h GLN 65 Cb 0.72 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2h3i h GLN 65 CO 0.00 -0.56 0.00 -0.35 -0.67 0.00 0.00 178.83 177.25 2h3i n PRO 66 N -5.45 0.40 -0.00 1.46 -0.04 -1.25 -1.93 135.00 128.18 2h3i n PRO 66 Ca -0.10 0.05 0.05 0.00 -0.04 0.00 0.00 63.50 63.45 2h3i n PRO 66 Cb 0.43 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.33 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 -1.09 1.04 0.18 3.54 7.64 -0.29 -4.37 113.62 120.28 2h3i n SER 67 Ca 0.10 -0.55 0.18 0.00 1.01 0.00 0.00 58.87 59.61 2h3i n SER 67 Cb 0.07 1.14 0.70 0.00 -1.01 0.00 0.00 64.21 65.11 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 0.78 0.76 115.31 116.79 2h3i h LEU 68 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2h3i h LEU 68 Cb 0.32 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 2h3i h LEU 68 CO 0.00 0.00 -2.17 1.67 0.09 0.00 0.00 178.44 178.03 2h3i n GLN 69 N -3.26 0.51 0.07 1.13 7.27 -1.26 -4.41 117.38 117.43 2h3i n GLN 69 Ca 0.04 0.13 0.10 0.00 0.07 0.00 0.00 57.00 57.34 2h3i n GLN 69 Cb 0.62 -1.40 0.43 0.00 2.41 0.00 0.00 30.24 32.30 2h3i n GLN 69 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 2h3i n THR 70 N -3.17 0.80 -3.35 1.69 -2.24 -0.60 -4.78 114.28 102.63 2h3i n THR 70 Ca -0.37 0.17 -0.21 0.00 -2.27 0.00 0.00 64.05 61.37 2h3i n THR 70 Cb 0.88 -1.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.13 2h3i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2h3i s GLY 71 N -3.32 2.01 0.00 3.38 0.00 0.25 -5.06 107.32 104.58 2h3i s GLY 71 Ca 0.07 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.99 2h3i s GLY 71 CO 0.38 -1.71 0.00 -1.14 0.00 0.00 0.00 173.10 170.63 2h3i n SER 72 N -1.90 0.00 0.33 1.64 3.41 -1.26 -4.88 113.62 110.95 2h3i n SER 72 Ca 0.07 -0.48 0.22 0.00 -0.26 0.00 0.00 58.87 58.42 2h3i n SER 72 Cb 0.62 0.00 1.11 0.00 -0.26 0.00 0.00 64.21 65.68 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 -0.35 4.33 3.07 -2.00 -1.86 114.58 117.78 2h3i h GLU 73 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 2h3i h GLU 73 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2h3i h GLU 73 CO 0.00 0.00 -0.35 0.93 -1.40 0.00 0.00 179.01 178.19 2h3i h GLU 74 N 0.00 0.79 0.00 2.33 5.08 -2.00 -1.66 114.58 119.13 2h3i h GLU 74 Ca 0.00 -0.39 -0.04 0.00 -1.00 0.00 0.00 59.36 57.93 2h3i h GLU 74 Cb 0.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 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 0.66 0.00 0.10 1.33 6.46 -1.68 -3.11 115.31 119.08 2h3i h LEU 75 Ca 0.06 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.55 2h3i h LEU 75 Cb 0.90 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.83 2h3i h LEU 75 CO 0.08 0.17 -1.34 0.03 -0.62 0.00 0.00 178.44 176.76 2h3i h ARG 76 N 0.00 0.21 -0.25 1.25 3.08 -1.40 -3.16 114.38 114.12 2h3i h ARG 76 Ca -0.00 -0.36 -0.08 0.00 0.07 0.00 0.00 59.98 59.61 2h3i h ARG 76 Cb 0.87 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 2h3i h ARG 76 CO 0.02 1.11 -0.17 0.77 -1.07 0.00 0.00 179.97 180.63 2h3i h SER 77 N 0.06 0.42 0.29 7.04 0.02 -1.25 -2.74 113.55 117.39 2h3i h SER 77 Ca -0.17 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 2h3i h SER 77 Cb 1.96 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 64.39 2h3i h SER 77 CO 0.17 0.62 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.27 2h3i h LEU 78 N 0.40 -0.33 -0.95 5.07 -0.00 -1.63 -3.13 115.31 114.75 2h3i h LEU 78 Ca 0.07 -0.20 0.24 0.00 -0.00 0.00 0.00 57.88 57.99 2h3i h LEU 78 Cb 0.53 0.09 -0.13 0.00 -0.00 0.00 0.00 40.66 41.15 2h3i h LEU 78 CO 0.03 0.12 0.48 0.22 -0.00 0.00 0.00 178.44 179.30 2h3i h TYR 79 N -0.90 0.81 0.18 1.13 5.03 -1.54 0.88 116.97 122.57 2h3i h TYR 79 Ca -0.04 0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.30 2h3i h TYR 79 Cb 0.51 -0.21 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 2h3i h TYR 79 CO 0.04 -0.02 -0.19 -0.91 -1.32 0.00 0.00 178.16 175.77 2h3i h ASN 80 N 0.46 -0.52 0.19 -2.11 4.21 -1.50 0.62 115.58 116.94 2h3i h ASN 80 Ca 0.61 0.04 0.01 0.00 1.21 0.00 0.00 56.30 58.17 2h3i h ASN 80 Cb 1.18 0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 38.52 2h3i h ASN 80 CO -0.52 -0.24 -0.29 0.74 -1.29 0.00 0.00 177.43 175.83 2h3i h THR 81 N -0.37 0.37 -1.00 2.81 2.02 -1.36 -1.96 112.91 113.44 2h3i h THR 81 Ca -0.02 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.44 2h3i h THR 81 Cb 0.32 0.37 -0.14 0.00 -1.74 0.00 0.00 68.15 66.97 2h3i h THR 81 CO -0.03 0.00 0.57 0.40 0.37 0.00 0.00 175.52 176.84 2h3i h ILE 82 N -0.56 0.43 -0.62 3.11 2.04 -0.83 0.32 117.51 121.40 2h3i h ILE 82 Ca 0.01 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 2h3i h ILE 82 Cb 0.55 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.53 2h3i h ILE 82 CO -0.12 0.08 0.26 0.00 0.00 0.00 0.00 178.15 178.37 2h3i h ALA 83 N 1.78 0.80 -0.61 1.87 0.00 -0.11 -2.55 119.26 120.44 2h3i h ALA 83 Ca 0.68 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.45 2h3i h ALA 83 Cb 1.42 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2h3i h ALA 83 CO -0.54 0.40 0.41 0.28 0.00 0.00 0.00 179.25 179.80 2h3i h VAL 84 N 0.86 1.11 0.40 0.00 2.07 0.06 -2.79 116.25 117.96 2h3i h VAL 84 Ca 0.21 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2h3i h VAL 84 Cb 0.18 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 2h3i h VAL 84 CO -0.02 0.14 -0.19 0.25 0.02 0.00 0.00 177.57 177.77 2h3i h LEU 85 N 0.76 -0.45 -0.82 2.57 5.85 -1.01 -2.22 115.31 119.99 2h3i h LEU 85 Ca 0.24 -0.08 0.20 0.00 0.84 0.00 0.00 57.88 59.08 2h3i h LEU 85 Cb 0.02 0.12 -0.13 0.00 0.37 0.00 0.00 40.66 41.04 2h3i h LEU 85 CO -0.06 -0.19 0.23 0.22 -0.34 0.00 0.00 178.44 178.30 2h3i h TYR 86 N -0.70 0.36 -0.17 1.25 3.20 -1.27 0.58 116.97 120.22 2h3i h TYR 86 Ca -0.05 0.05 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2h3i h TYR 86 Cb 0.50 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 2h3i h TYR 86 CO -0.01 -0.13 -0.15 0.00 -1.64 0.00 0.00 178.16 176.23 2h3i h VAL 88 N 0.27 1.31 0.00 0.00 2.07 0.73 0.27 116.25 120.90 2h3i h VAL 88 Ca 0.05 -1.67 -0.16 0.00 0.82 0.00 0.00 66.70 65.74 2h3i h VAL 88 Cb 0.42 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.82 2h3i h VAL 88 CO 0.03 0.52 -0.76 0.45 0.02 0.00 0.00 177.57 177.83 2h3i h HIS 89 N 0.44 0.00 -0.22 1.57 -0.00 -0.74 -3.12 115.15 113.08 2h3i h HIS 89 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2h3i h HIS 89 Cb 0.98 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.39 2h3i h HIS 89 CO 0.04 0.76 0.00 1.04 -0.00 0.00 0.00 177.93 179.77 2h3i n GLN 90 N -3.47 2.16 -1.32 2.45 1.13 -0.67 -4.84 117.38 112.81 2h3i n GLN 90 Ca -0.00 -1.07 -0.11 0.00 -1.94 0.00 0.00 57.00 53.88 2h3i n GLN 90 Cb 0.78 -1.60 -0.05 0.00 0.11 0.00 0.00 30.24 29.47 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 0.24 -1.42 -3.05 -1.09 1.74 -1.18 -4.94 116.66 106.96 2h3i n ARG 91 Ca 0.10 0.86 -0.40 0.00 -0.77 0.00 0.00 57.85 57.64 2h3i n ARG 91 Cb 0.48 -5.13 -0.05 0.00 -1.02 0.00 0.00 32.46 26.74 2h3i n ARG 91 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2h3i s ILE 92 N -2.09 4.98 -0.37 0.55 1.01 0.95 -5.02 121.20 121.22 2h3i s ILE 92 Ca 0.00 1.33 -0.17 0.00 0.00 0.00 0.00 60.65 61.82 2h3i s ILE 92 Cb 0.00 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.46 2h3i s ILE 92 CO 0.00 0.09 0.45 -0.62 0.00 0.00 0.00 174.94 174.86 2h3i s ASP 93 N 1.16 6.24 0.53 3.58 -1.08 -1.26 -3.96 116.67 121.88 2h3i s ASP 93 Ca 0.32 -0.26 0.01 0.00 -0.52 0.00 0.00 52.55 52.10 2h3i s ASP 93 Cb -0.16 -2.23 0.03 0.00 -1.46 0.00 0.00 42.92 39.09 2h3i s ASP 93 CO 0.11 -0.46 0.75 0.68 0.52 0.00 0.00 175.17 176.78 2h3i s VAL 94 N 2.21 2.94 -0.03 1.11 -7.23 -1.26 -5.03 120.40 113.12 2h3i s VAL 94 Ca 0.15 -0.63 0.19 0.00 -1.81 0.00 0.00 61.98 59.88 2h3i s VAL 94 Cb -0.16 -3.10 -0.29 0.00 0.56 0.00 0.00 36.38 33.39 2h3i s VAL 94 CO 0.13 -0.07 0.42 0.29 -0.31 0.00 0.00 175.10 175.56 2h3i n LYS 95 N -2.29 0.57 0.00 4.82 4.76 -1.26 -4.81 118.16 119.95 2h3i n LYS 95 Ca 0.07 -0.17 0.00 0.00 -2.87 0.00 0.00 58.31 55.33 2h3i n LYS 95 Cb 0.59 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 2h3i n LYS 95 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 2h3i n ASP 96 N -2.15 0.00 0.00 4.39 5.68 -1.26 -4.14 116.55 119.07 2h3i n ASP 96 Ca -0.03 0.00 0.04 0.00 -0.50 0.00 0.00 54.79 54.30 2h3i n ASP 96 Cb 0.49 0.00 0.21 0.00 -1.14 0.00 0.00 41.12 40.68 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 -0.14 0.88 -0.05 2.12 -1.04 -1.17 -1.63 114.28 113.26 2h3i n THR 97 Ca 0.00 0.22 -0.04 0.00 -2.04 0.00 0.00 64.05 62.19 2h3i n THR 97 Cb 0.00 -1.08 -0.01 0.00 -1.82 0.00 0.00 70.33 67.42 2h3i n THR 97 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2h3i n LYS 98 N -1.31 0.29 0.32 -2.82 0.00 -1.26 -3.54 118.16 109.84 2h3i n LYS 98 Ca 0.04 0.33 0.19 0.00 0.00 0.00 0.00 58.31 58.87 2h3i n LYS 98 Cb 0.07 -1.25 1.07 0.00 0.00 0.00 0.00 35.03 34.92 2h3i n LYS 98 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 2h3i h GLU 99 N -0.61 0.00 0.09 1.64 4.39 -1.92 -2.40 114.58 115.77 2h3i h GLU 99 Ca 0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2h3i h GLU 99 Cb 0.40 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 2h3i h GLU 99 CO 0.00 0.00 -0.04 0.00 -1.16 0.00 0.00 179.01 177.81 2h3i h ALA 100 N 2.00 -0.12 -0.99 3.43 0.00 -1.50 -2.93 119.26 119.14 2h3i h ALA 100 Ca -0.00 -0.27 0.09 0.00 0.00 0.00 0.00 54.91 54.73 2h3i h ALA 100 Cb 0.01 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.78 2h3i h ALA 100 CO 0.00 -0.20 0.64 1.25 0.00 0.00 0.00 179.25 180.94 2h3i h LEU 101 N -0.87 0.97 -0.62 0.00 7.12 -1.52 -1.61 115.31 118.79 2h3i h LEU 101 Ca -0.01 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.01 2h3i h LEU 101 Cb 0.58 -0.18 -0.03 0.00 -0.53 0.00 0.00 40.66 40.50 2h3i h LEU 101 CO 0.02 0.57 0.35 0.44 -0.13 0.00 0.00 178.44 179.69 2h3i h ASP 102 N 1.07 0.76 -0.91 1.25 5.19 -1.53 0.24 116.42 122.50 2h3i h ASP 102 Ca 0.46 -0.08 0.15 0.00 -0.62 0.00 0.00 57.03 56.94 2h3i h ASP 102 Cb 0.33 -0.19 -0.09 0.00 0.18 0.00 0.00 39.33 39.55 2h3i h ASP 102 CO -0.21 0.62 0.51 0.50 -3.12 0.00 0.00 179.24 177.55 2h3i h LYS 103 N 0.84 0.70 0.18 3.56 1.63 -1.09 0.13 116.57 122.52 2h3i h LYS 103 Ca 0.22 -0.04 -0.26 0.00 -0.85 0.00 0.00 60.65 59.72 2h3i h LYS 103 Cb 0.02 -0.16 0.02 0.00 -0.60 0.00 0.00 32.23 31.52 2h3i h LYS 103 CO -0.04 0.47 -1.18 0.82 -3.45 0.00 0.00 179.45 176.07 2h3i h ILE 104 N 0.72 1.33 -0.30 2.00 2.04 -1.31 -3.18 117.51 118.82 2h3i h ILE 104 Ca 0.50 -2.57 0.08 0.00 1.00 0.00 0.00 64.86 63.87 2h3i h ILE 104 Cb 0.68 3.05 -0.01 0.00 -0.74 0.00 0.00 36.82 39.80 2h3i h ILE 104 CO -0.35 0.75 0.21 -0.08 0.00 0.00 0.00 178.15 178.69 2h3i h GLU 105 N -0.17 0.01 -0.04 2.37 4.81 0.08 -1.27 114.58 120.37 2h3i h GLU 105 Ca -0.22 -0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 58.79 2h3i h GLU 105 Cb 1.86 -0.00 0.02 0.00 0.63 0.00 0.00 28.75 31.25 2h3i h GLU 105 CO 0.18 0.01 -0.84 1.49 -0.73 0.00 0.00 179.01 179.11 2h3i h GLU 106 N 0.01 0.65 0.00 1.92 4.81 -0.84 -0.61 114.58 120.51 2h3i h GLU 106 Ca 0.14 -0.64 -0.04 0.00 -0.13 0.00 0.00 59.36 58.69 2h3i h GLU 106 Cb 0.55 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 2h3i h GLU 106 CO -0.00 1.24 -0.19 1.49 -0.73 0.00 0.00 179.01 180.82 2h3i h GLU 107 N 0.29 0.00 -0.18 1.92 4.81 -1.24 -2.54 114.58 117.64 2h3i h GLU 107 Ca -0.09 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.07 2h3i h GLU 107 Cb 1.51 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.85 2h3i h GLU 107 CO 0.17 0.19 -0.13 1.04 -0.73 0.00 0.00 179.01 179.55 2h3i n GLN 108 N -3.87 1.91 -0.19 1.92 1.13 -0.67 -4.70 117.38 112.90 2h3i n GLN 108 Ca -0.02 -3.00 -0.08 0.00 -1.94 0.00 0.00 57.00 51.96 2h3i n GLN 108 Cb 0.29 -1.71 0.02 0.00 0.11 0.00 0.00 30.24 28.94 2h3i n GLN 108 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 2h3i h ASN 109 N 0.95 0.74 -0.21 1.08 -1.24 -0.65 0.36 115.58 116.62 2h3i h ASN 109 Ca 0.08 -0.18 0.06 0.00 0.71 0.00 0.00 56.30 56.97 2h3i h ASN 109 Cb 1.33 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 40.18 2h3i h ASN 109 CO 0.18 0.72 0.22 0.11 -1.29 0.00 0.00 177.43 177.38 2h3i h LYS 110 N 0.72 0.00 0.00 6.67 1.79 -1.84 0.15 116.57 124.06 2h3i h LYS 110 Ca 0.18 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.60 2h3i h LYS 110 Cb 0.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 2h3i h LYS 110 CO -0.01 0.00 -0.68 0.45 -1.08 0.00 0.00 179.45 178.13 2h3i n SER 111 N -3.85 1.82 -0.09 0.86 2.88 -0.82 -4.21 113.62 110.21 2h3i n SER 111 Ca 0.02 0.59 0.25 0.00 -1.33 0.00 0.00 58.87 58.40 2h3i n SER 111 Cb 0.35 -0.88 0.71 0.00 -0.75 0.00 0.00 64.21 63.64 2h3i n SER 111 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2h3i h LYS 112 N -1.00 0.00 -0.83 -1.46 3.64 -0.80 0.11 116.57 116.22 2h3i h LYS 112 Ca -0.07 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2h3i h LYS 112 Cb 0.67 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.43 2h3i h LYS 112 CO -0.04 0.00 0.51 -0.22 -2.27 0.00 0.00 179.45 177.43 2h3i h LYS 113 N 0.00 0.91 -0.16 1.90 3.64 -0.88 0.16 116.57 122.14 2h3i h LYS 113 Ca 0.34 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.71 2h3i h LYS 113 Cb 1.37 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2h3i h LYS 113 CO -0.00 0.61 0.17 -0.22 -2.27 0.00 0.00 179.45 177.73 2h3i h LYS 114 N 0.94 0.00 0.00 1.90 3.64 -1.13 -0.73 116.57 121.19 2h3i h LYS 114 Ca 0.36 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.74 2h3i h LYS 114 Cb 0.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2h3i h LYS 114 CO -0.17 0.00 -0.36 0.00 -2.27 0.00 0.00 179.45 176.65 2h3i n ALA 115 N -2.36 3.16 -0.57 5.00 0.00 -0.11 -4.86 120.51 120.77 2h3i n ALA 115 Ca 0.01 -3.03 0.00 0.00 0.00 0.00 0.00 53.44 50.42 2h3i n ALA 115 Cb 0.29 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.15 0.00 -3.74 0.00 7.27 0.37 -5.00 117.38 115.13 2h3i n GLN 116 Ca 0.17 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.96 2h3i n GLN 116 Cb 0.69 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.34 2h3i n GLN 116 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2h3i n GLN 117 N -1.65 -4.19 -2.20 3.69 7.27 -0.68 0.09 117.38 119.70 2h3i n GLN 117 Ca 0.00 0.52 -0.14 0.00 0.07 0.00 0.00 57.00 57.44 2h3i n GLN 117 Cb 0.00 -5.31 -0.02 0.00 2.41 0.00 0.00 30.24 27.32 2h3i n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2h3i n ALA 118 N -4.14 -0.62 -1.31 1.69 0.00 -1.26 0.00 120.51 114.87 2h3i n ALA 118 Ca 0.02 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.50 2h3i n ALA 118 Cb 0.53 -1.63 -0.05 0.00 0.00 0.00 0.00 19.45 18.30 2h3i n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3i n ALA 119 N -1.55 -0.16 -3.19 0.00 0.00 0.11 -2.63 120.51 113.10 2h3i n ALA 119 Ca -0.16 0.17 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 2h3i n ALA 119 Cb 0.59 -1.66 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 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 1.20 -1.03 0.03 0.00 0.00 0.10 -4.75 120.51 116.06 2h3i n ALA 120 Ca -0.11 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2h3i n ALA 120 Cb 0.54 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2h3i n ALA 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h3i n ASP 121 N -2.06 0.49 -4.50 0.00 9.92 -1.08 -5.07 116.55 114.25 2h3i n ASP 121 Ca -0.01 0.08 -0.37 0.00 -0.53 0.00 0.00 54.79 53.96 2h3i n ASP 121 Cb 0.53 -0.13 0.06 0.00 -0.64 0.00 0.00 41.12 40.94 2h3i n ASP 121 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2h3i n THR 122 N -2.99 2.34 0.00 -3.53 5.66 -1.24 -4.94 114.28 109.58 2h3i n THR 122 Ca 0.00 -0.44 0.00 0.00 -3.05 0.00 0.00 64.05 60.56 2h3i n THR 122 Cb 0.00 -0.81 0.00 0.00 -1.55 0.00 0.00 70.33 67.97 2h3i n THR 122 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2h3i n GLY 123 N 1.60 -2.55 0.84 1.09 0.00 -1.26 -4.90 105.19 100.00 2h3i n GLY 123 Ca 0.11 0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2h3i n GLY 123 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2h3i n ASN 124 N -1.81 0.00 -3.43 1.61 3.02 -1.26 -5.14 115.26 108.25 2h3i n ASN 124 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.51 2h3i n ASN 124 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 2h3i n ASN 124 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 2h3i s ASN 125 N -2.24 -0.04 -0.09 6.41 -0.87 -1.26 -5.01 114.94 111.84 2h3i s ASN 125 Ca 0.00 -0.64 0.02 0.00 -1.57 0.00 0.00 52.86 50.67 2h3i s ASN 125 Cb 0.00 0.53 -0.07 0.00 -0.02 0.00 0.00 41.25 41.69 2h3i s ASN 125 CO 0.00 -1.03 -0.06 -1.20 -2.57 0.00 0.00 177.10 172.25 2h3i n SER 126 N -1.03 3.25 -1.47 -1.22 7.64 -1.26 -5.13 113.62 114.40 2h3i n SER 126 Ca -0.04 -0.04 0.19 0.00 1.01 0.00 0.00 58.87 59.99 2h3i n SER 126 Cb 0.60 0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 63.79 2h3i n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2h3i n GLN 127 N -2.65 -3.07 -3.62 1.43 1.13 -1.26 -5.00 117.38 104.34 2h3i n GLN 127 Ca -0.15 2.16 -0.15 0.00 -1.94 0.00 0.00 57.00 56.92 2h3i n GLN 127 Cb 0.69 -3.70 -0.07 0.00 0.11 0.00 0.00 30.24 27.27 2h3i n GLN 127 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2h3i s VAL 128 N -2.76 0.00 0.17 5.09 0.11 -1.26 -5.18 120.40 116.57 2h3i s VAL 128 Ca 0.00 -0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 59.01 2h3i s VAL 128 Cb 0.00 -0.94 0.04 0.00 -1.53 0.00 0.00 36.38 33.95 2h3i s VAL 128 CO 0.00 -0.01 0.20 -1.20 -3.33 0.00 0.00 175.10 170.76 2h3i n SER 129 N 2.34 -0.37 -4.17 3.54 7.64 -1.26 -5.10 113.62 116.25 2h3i n SER 129 Ca -0.15 -0.92 -0.20 0.00 1.01 0.00 0.00 58.87 58.61 2h3i n SER 129 Cb 0.56 -0.16 -0.13 0.00 -1.01 0.00 0.00 64.21 63.47 2h3i n SER 129 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2h3i s GLN 130 N -3.43 0.92 0.27 1.43 2.00 -1.26 -5.16 119.66 114.43 2h3i s GLN 130 Ca 0.12 -0.88 0.07 0.00 -2.00 0.00 0.00 55.36 52.67 2h3i s GLN 130 Cb -0.01 -0.95 -0.04 0.00 0.80 0.00 0.00 33.01 32.82 2h3i s GLN 130 CO 0.08 0.23 0.19 0.54 -0.50 0.00 0.00 175.29 175.82 2h3i s ASN 131 N -1.44 5.36 0.00 6.67 2.20 -1.26 -5.37 114.94 121.10 2h3i s ASN 131 Ca 0.01 -0.34 0.00 0.00 -0.94 0.00 0.00 52.86 51.59 2h3i s ASN 131 Cb -0.09 -1.27 0.00 0.00 -2.00 0.00 0.00 41.25 37.89 2h3i s ASN 131 CO 0.02 -0.08 0.00 0.00 -2.94 0.00 0.00 177.10 174.10