#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 1.53 -2.90 4.61 0.00 -1.26 -5.03 120.51 117.47 2h3i n ALA 3 Ca 0.00 -0.68 -0.04 0.00 0.00 0.00 0.00 53.44 52.72 2h3i n ALA 3 Cb 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 19.45 18.78 2h3i n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2h3i n ARG 4 N -0.99 -1.37 -3.47 0.00 1.74 -1.26 -5.05 116.66 106.27 2h3i n ARG 4 Ca -0.13 1.19 -0.22 0.00 -0.77 0.00 0.00 57.85 57.92 2h3i n ARG 4 Cb 0.75 -5.21 0.01 0.00 -1.02 0.00 0.00 32.46 26.99 2h3i n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2h3i s ALA 5 N -3.09 4.47 -0.14 7.54 0.00 -1.26 -5.08 121.76 124.20 2h3i s ALA 5 Ca 0.11 -1.72 -0.34 0.00 0.00 0.00 0.00 51.96 50.01 2h3i s ALA 5 Cb -0.01 -1.10 0.13 0.00 0.00 0.00 0.00 23.12 22.13 2h3i s ALA 5 CO 0.65 -0.54 1.15 0.45 0.00 0.00 0.00 175.76 177.47 2h3i s SER 6 N -4.39 -0.17 0.00 0.00 0.15 -1.26 -4.79 113.70 103.23 2h3i s SER 6 Ca 0.48 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.11 2h3i s SER 6 Cb -0.04 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2h3i s SER 6 CO 0.30 -0.32 0.00 0.52 1.20 0.00 0.00 173.24 174.94 2h3i n VAL 7 N -0.15 0.00 0.00 4.45 0.31 -1.26 -4.96 118.33 116.72 2h3i n VAL 7 Ca -0.02 0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2h3i n VAL 7 Cb 0.59 -0.93 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 2h3i n VAL 7 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2h3i n LEU 8 N -1.53 0.00 0.00 7.52 -0.00 -1.26 -4.88 117.00 116.84 2h3i n LEU 8 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 2h3i n LEU 8 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.45 2h3i n LEU 8 CO 0.00 0.00 0.15 -1.54 -0.00 0.00 0.00 177.39 176.00 2h3i n SER 9 N 0.00 0.23 0.50 1.45 3.41 -1.26 -4.77 113.62 113.18 2h3i n SER 9 Ca 0.00 -1.22 -0.19 0.00 -0.26 0.00 0.00 58.87 57.19 2h3i n SER 9 Cb 0.00 -0.17 -0.09 0.00 -0.26 0.00 0.00 64.21 63.68 2h3i n SER 9 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2h3i h GLY 10 N -0.21 -1.33 -0.74 5.00 0.00 -1.98 0.46 103.07 104.28 2h3i h GLY 10 Ca -0.08 0.49 0.37 0.00 0.00 0.00 0.00 47.33 48.11 2h3i h GLY 10 CO 0.08 -0.48 0.80 -1.33 0.00 0.00 0.00 176.54 175.60 2h3i h GLY 11 N -1.29 1.18 1.19 4.60 0.00 -2.01 0.34 103.07 107.07 2h3i h GLY 11 Ca -0.13 -0.14 -0.32 0.00 0.00 0.00 0.00 47.33 46.74 2h3i h GLY 11 CO 0.21 -0.28 -1.56 -2.09 0.00 0.00 0.00 176.54 172.82 2h3i h GLU 12 N 0.19 0.32 -0.81 4.80 4.81 -1.87 -3.32 114.58 118.69 2h3i h GLU 12 Ca 0.73 -0.55 0.14 0.00 -0.13 0.00 0.00 59.36 59.56 2h3i h GLU 12 Cb 2.19 0.20 -0.06 0.00 0.63 0.00 0.00 28.75 31.72 2h3i h GLU 12 CO -0.35 1.21 0.53 -0.07 -0.73 0.00 0.00 179.01 179.60 2h3i h LEU 13 N 0.09 0.50 -1.93 1.64 3.38 0.39 0.51 115.31 119.89 2h3i h LEU 13 Ca -0.26 0.03 0.24 0.00 0.09 0.00 0.00 57.88 57.98 2h3i h LEU 13 Cb 2.05 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.69 2h3i h LEU 13 CO 0.18 0.26 0.61 -0.78 0.09 0.00 0.00 178.44 178.80 2h3i h ASP 14 N 0.53 0.06 0.76 -0.43 3.58 -1.43 0.34 116.42 119.83 2h3i h ASP 14 Ca 0.40 0.01 -0.24 0.00 0.42 0.00 0.00 57.03 57.62 2h3i h ASP 14 Cb 0.78 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.79 2h3i h ASP 14 CO -0.15 0.02 -1.34 0.11 -2.88 0.00 0.00 179.24 175.00 2h3i h LYS 15 N 0.05 0.00 -0.22 0.28 1.79 -1.11 -3.29 116.57 114.07 2h3i h LYS 15 Ca 0.41 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.70 2h3i h LYS 15 Cb 1.56 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 32.21 2h3i h LYS 15 CO -0.03 0.68 -0.59 2.35 -1.08 0.00 0.00 179.45 180.77 2h3i h TRP 16 N 0.00 0.93 0.00 -1.35 2.91 -0.28 -2.78 115.95 115.38 2h3i h TRP 16 Ca -0.15 -0.35 0.00 0.00 1.13 0.00 0.00 58.89 59.52 2h3i h TRP 16 Cb 1.85 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 30.33 2h3i h TRP 16 CO 0.00 1.14 0.00 0.39 -1.03 0.00 0.00 178.44 178.94 2h3i n GLU 17 N -3.97 0.87 0.05 2.65 1.02 0.15 -2.71 120.64 118.69 2h3i n GLU 17 Ca -0.04 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.20 2h3i n GLU 17 Cb 0.64 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 30.50 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 -0.98 0.63 -2.66 3.49 3.00 -1.05 -4.37 118.16 116.22 2h3i n LYS 18 Ca 0.20 -0.03 -0.41 0.00 -0.00 0.00 0.00 58.31 58.07 2h3i n LYS 18 Cb 0.09 -1.68 -0.04 0.00 0.00 0.00 0.00 35.03 33.40 2h3i n LYS 18 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2h3i s ILE 19 N -3.41 4.36 0.72 3.15 1.01 -1.10 -4.92 121.20 121.00 2h3i s ILE 19 Ca -0.04 1.93 -0.12 0.00 0.00 0.00 0.00 60.65 62.42 2h3i s ILE 19 Cb 0.12 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.38 2h3i s ILE 19 CO 0.85 0.28 1.11 -0.13 0.00 0.00 0.00 174.94 177.04 2h3i s ARG 20 N 0.07 2.75 -0.22 2.79 0.52 -1.25 -0.62 118.95 122.99 2h3i s ARG 20 Ca 0.49 0.43 -0.10 0.00 -0.52 0.00 0.00 55.73 56.03 2h3i s ARG 20 Cb -0.25 -2.01 -0.18 0.00 0.52 0.00 0.00 34.95 33.03 2h3i s ARG 20 CO 0.31 -1.10 -0.02 1.28 0.02 0.00 0.00 175.30 175.79 2h3i n LEU 21 N -3.05 2.34 -4.91 2.53 4.77 0.98 -3.07 117.00 116.60 2h3i n LEU 21 Ca 0.07 0.21 -0.20 0.00 -0.03 0.00 0.00 56.01 56.06 2h3i n LEU 21 Cb 0.58 -0.95 -0.02 0.00 -2.33 0.00 0.00 43.42 40.69 2h3i n LEU 21 CO 0.57 0.66 0.00 -0.13 -1.33 0.00 0.00 177.39 177.16 2h3i s ARG 22 N -2.49 2.79 -0.02 3.23 3.00 -1.26 -3.69 118.95 120.51 2h3i s ARG 22 Ca -0.32 -1.27 -0.23 0.00 0.00 0.00 0.00 55.73 53.91 2h3i s ARG 22 Cb 0.09 -2.58 -0.17 0.00 0.00 0.00 0.00 34.95 32.30 2h3i s ARG 22 CO 0.61 -0.03 1.09 -1.00 0.00 0.00 0.00 175.30 175.97 2h3i h PRO 23 N 1.03 -0.25 -0.55 3.54 0.13 -1.94 -3.33 132.00 130.64 2h3i h PRO 23 Ca -0.44 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2h3i h PRO 23 Cb 1.26 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2h3i h PRO 23 CO 0.55 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 178.87 2h3i n GLY 24 N 0.16 2.68 0.10 1.56 0.00 -1.26 -4.90 105.19 103.52 2h3i n GLY 24 Ca -0.09 -0.62 -0.01 0.00 0.00 0.00 0.00 46.02 45.31 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 1.06 -0.17 0.00 -0.02 0.00 -1.25 -5.04 105.19 99.77 2h3i n GLY 25 Ca 0.19 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2h3i n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h3i n LYS 26 N -1.06 -0.37 -2.25 1.61 4.76 -1.26 -4.87 118.16 114.72 2h3i n LYS 26 Ca 0.00 -0.26 -0.39 0.00 -2.87 0.00 0.00 58.31 54.80 2h3i n LYS 26 Cb 0.01 -0.75 -0.02 0.00 -1.84 0.00 0.00 35.03 32.43 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2h3i s LYS 27 N -0.02 4.12 0.55 1.97 -0.14 -1.26 -4.92 119.74 120.04 2h3i s LYS 27 Ca 0.00 1.93 0.06 0.00 -1.36 0.00 0.00 55.97 56.60 2h3i s LYS 27 Cb 0.00 -2.78 0.05 0.00 -1.68 0.00 0.00 37.83 33.42 2h3i s LYS 27 CO 0.00 -0.29 0.44 -0.65 -0.76 0.00 0.00 175.35 174.10 2h3i s GLN 28 N -2.16 2.25 0.02 1.68 1.11 -1.26 -0.01 119.66 121.30 2h3i s GLN 28 Ca 0.55 -2.00 -0.11 0.00 0.01 0.00 0.00 55.36 53.80 2h3i s GLN 28 Cb -0.33 -2.14 -0.06 0.00 -1.01 0.00 0.00 33.01 29.48 2h3i s GLN 28 CO 0.42 -0.66 0.37 0.71 0.01 0.00 0.00 175.29 176.14 2h3i s TYR 29 N -2.78 3.65 0.13 0.91 2.02 0.21 -4.53 117.35 116.95 2h3i s TYR 29 Ca 0.36 0.84 0.05 0.00 -0.37 0.00 0.00 57.07 57.96 2h3i s TYR 29 Cb -0.03 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 2h3i s TYR 29 CO 0.22 0.60 -0.13 0.21 -1.57 0.00 0.00 175.55 174.88 2h3i s LYS 30 N -1.47 1.02 0.27 -0.62 2.20 -1.26 -3.99 119.74 115.88 2h3i s LYS 30 Ca 0.27 -1.27 -0.06 0.00 -0.36 0.00 0.00 55.97 54.55 2h3i s LYS 30 Cb -0.15 -0.83 0.51 0.00 -1.51 0.00 0.00 37.83 35.85 2h3i s LYS 30 CO 0.15 0.15 1.60 1.25 -0.36 0.00 0.00 175.35 178.13 2h3i h LEU 31 N 3.38 -0.55 -0.88 5.43 5.85 -1.99 0.27 115.31 126.83 2h3i h LEU 31 Ca -0.39 0.24 0.33 0.00 0.84 0.00 0.00 57.88 58.90 2h3i h LEU 31 Cb 1.20 0.45 -0.16 0.00 0.37 0.00 0.00 40.66 42.52 2h3i h LEU 31 CO 0.53 -0.27 0.32 0.29 -0.34 0.00 0.00 178.44 178.97 2h3i n LYS 32 N -5.46 -0.06 -0.07 1.25 5.02 -1.26 0.11 118.16 117.70 2h3i n LYS 32 Ca 0.16 1.26 -0.13 0.00 -2.02 0.00 0.00 58.31 57.58 2h3i n LYS 32 Cb 0.54 -2.16 -0.06 0.00 -0.02 0.00 0.00 35.03 33.33 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2h3i h HIS 33 N 0.00 0.53 0.47 2.13 3.86 -0.87 -1.65 115.15 119.62 2h3i h HIS 33 Ca 0.68 -0.15 -0.01 0.00 -1.16 0.00 0.00 60.37 59.72 2h3i h HIS 33 Cb 1.68 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 30.02 2h3i h HIS 33 CO -0.16 0.80 -0.38 0.82 0.86 0.00 0.00 177.93 179.86 2h3i h ILE 34 N 0.11 0.22 -0.23 2.45 2.04 0.82 -2.15 117.51 120.77 2h3i h ILE 34 Ca 0.03 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.94 2h3i h ILE 34 Cb 0.70 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 2h3i h ILE 34 CO 0.04 0.00 -0.04 0.58 0.00 0.00 0.00 178.15 178.73 2h3i h VAL 35 N -0.85 0.78 -0.25 1.67 2.07 -1.37 0.36 116.25 118.67 2h3i h VAL 35 Ca -0.05 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.54 2h3i h VAL 35 Cb 0.73 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2h3i h VAL 35 CO -0.01 0.00 0.41 -0.25 0.02 0.00 0.00 177.57 177.74 2h3i h TRP 36 N 0.02 0.00 0.01 1.57 7.01 -1.13 0.94 115.95 124.37 2h3i h TRP 36 Ca 0.11 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.94 2h3i h TRP 36 Cb 0.17 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.20 2h3i h TRP 36 CO -0.23 0.00 -0.96 0.00 -2.79 0.00 0.00 178.44 174.46 2h3i h ALA 37 N 1.42 0.20 -0.84 2.65 0.00 -0.32 -3.33 119.26 119.04 2h3i h ALA 37 Ca 0.12 -1.03 0.02 0.00 0.00 0.00 0.00 54.91 54.02 2h3i h ALA 37 Cb 0.93 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 2h3i h ALA 37 CO -0.00 0.54 0.56 0.77 0.00 0.00 0.00 179.25 181.11 2h3i h SER 38 N -0.95 0.93 0.48 0.00 0.02 -0.12 0.39 113.55 114.29 2h3i h SER 38 Ca -0.26 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 2h3i h SER 38 Cb 1.26 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.58 2h3i h SER 38 CO -0.14 0.65 0.00 0.54 -1.14 0.00 0.00 176.83 176.74 2h3i n ARG 39 N -4.43 0.15 0.00 3.45 5.12 0.23 -2.48 116.66 118.69 2h3i n ARG 39 Ca 0.10 0.46 -0.22 0.00 -1.93 0.00 0.00 57.85 56.27 2h3i n ARG 39 Cb 0.08 -1.83 -0.14 0.00 -1.16 0.00 0.00 32.46 29.40 2h3i n ARG 39 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2h3i n GLU 40 N -2.12 0.75 -0.26 5.56 0.00 0.08 -4.22 120.64 120.44 2h3i n GLU 40 Ca 0.01 0.29 0.05 0.00 0.00 0.00 0.00 57.16 57.51 2h3i n GLU 40 Cb 0.16 -1.72 0.18 0.00 0.00 0.00 0.00 31.44 30.07 2h3i n GLU 40 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2h3i h LEU 41 N -0.00 0.31 -1.00 4.31 3.38 -1.12 0.56 115.31 121.74 2h3i h LEU 41 Ca -0.42 0.10 0.14 0.00 0.09 0.00 0.00 57.88 57.80 2h3i h LEU 41 Cb 1.99 0.07 -0.09 0.00 0.09 0.00 0.00 40.66 42.72 2h3i h LEU 41 CO 0.07 0.12 0.63 -0.33 0.09 0.00 0.00 178.44 179.02 2h3i h GLU 42 N 0.46 0.90 0.00 1.13 4.39 -1.49 0.29 114.58 120.27 2h3i h GLU 42 Ca 0.41 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.99 2h3i h GLU 42 Cb 0.61 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2h3i h GLU 42 CO -0.39 0.59 -0.33 -0.09 -1.16 0.00 0.00 179.01 177.63 2h3i h ARG 43 N 0.93 0.00 -0.93 2.33 1.12 -1.14 -3.16 114.38 113.53 2h3i h ARG 43 Ca 0.52 0.00 -0.19 0.00 -1.11 0.00 0.00 59.98 59.21 2h3i h ARG 43 Cb 0.62 0.00 -0.11 0.00 -0.01 0.00 0.00 29.97 30.46 2h3i h ARG 43 CO -0.30 0.33 0.24 1.19 -3.11 0.00 0.00 179.97 178.31 2h3i n PHE 44 N -3.23 1.47 -1.78 2.20 3.01 0.40 -4.84 117.46 114.70 2h3i n PHE 44 Ca 0.02 -0.95 -0.16 0.00 1.01 0.00 0.00 57.45 57.38 2h3i n PHE 44 Cb 0.62 -0.53 -0.05 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 -0.15 -0.40 -2.74 4.37 0.00 -1.05 -4.94 120.51 115.61 2h3i n ALA 45 Ca 0.26 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.59 2h3i n ALA 45 Cb 1.01 -1.65 -0.14 0.00 0.00 0.00 0.00 19.45 18.67 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 -2.47 2.94 0.16 0.00 1.01 0.75 -5.02 120.40 117.78 2h3i s VAL 46 Ca 0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 61.98 60.93 2h3i s VAL 46 Cb 0.00 -2.17 -0.08 0.00 0.00 0.00 0.00 36.38 34.12 2h3i s VAL 46 CO 0.00 0.56 1.33 0.20 0.00 0.00 0.00 175.10 177.20 2h3i s ASN 47 N -0.25 6.88 0.00 3.32 0.01 -1.26 -2.53 114.94 121.10 2h3i s ASN 47 Ca 0.01 2.36 0.15 0.00 -0.71 0.00 0.00 52.86 54.66 2h3i s ASN 47 Cb -0.13 -2.60 0.70 0.00 0.41 0.00 0.00 41.25 39.63 2h3i s ASN 47 CO 0.03 -0.57 1.42 -0.81 -1.51 0.00 0.00 177.10 175.66 2h3i n PRO 48 N 3.15 0.14 0.18 -0.60 -0.04 -1.26 -2.42 135.00 134.15 2h3i n PRO 48 Ca 0.08 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 63.84 2h3i n PRO 48 Cb 0.43 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.54 2h3i n PRO 48 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2h3i h GLY 49 N 2.43 0.00 1.50 0.55 0.00 -1.97 -3.29 103.07 102.29 2h3i h GLY 49 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.37 2h3i h GLY 49 CO 0.00 0.00 0.25 1.41 0.00 0.00 0.00 176.54 178.20 2h3i h LEU 50 N 0.00 0.31 0.00 3.11 3.38 -1.83 0.15 115.31 120.43 2h3i h LEU 50 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h3i h LEU 50 Cb 0.97 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.64 2h3i h LEU 50 CO 0.00 0.21 0.00 0.18 0.09 0.00 0.00 178.44 178.92 2h3i n LEU 51 N -4.48 0.00 0.12 1.67 4.77 -1.24 -2.56 117.00 115.27 2h3i n LEU 51 Ca 0.04 0.47 -0.03 0.00 -0.03 0.00 0.00 56.01 56.47 2h3i n LEU 51 Cb 0.18 -0.47 0.16 0.00 -2.33 0.00 0.00 43.42 40.95 2h3i n LEU 51 CO 0.35 -0.21 0.50 -0.08 -1.33 0.00 0.00 177.39 176.62 2h3i h GLU 52 N 0.00 0.09 -6.34 3.23 4.81 -0.90 -3.44 114.58 112.02 2h3i h GLU 52 Ca 0.00 -0.06 -0.61 0.00 -0.13 0.00 0.00 59.36 58.56 2h3i h GLU 52 Cb 0.27 0.01 -0.24 0.00 0.63 0.00 0.00 28.75 29.41 2h3i h GLU 52 CO 0.00 0.67 -0.85 0.95 -0.73 0.00 0.00 179.01 179.05 2h3i s THR 53 N -3.69 1.85 0.30 0.32 -4.23 -1.06 -5.01 115.64 104.12 2h3i s THR 53 Ca -0.02 -1.40 0.01 0.00 -1.18 0.00 0.00 61.69 59.10 2h3i s THR 53 Cb 0.12 -1.62 0.28 0.00 1.34 0.00 0.00 72.50 72.62 2h3i s THR 53 CO 0.77 0.16 1.90 0.77 -0.54 0.00 0.00 174.62 177.68 2h3i h SER 54 N 4.53 0.91 -0.76 3.99 4.64 -1.86 -1.74 113.55 123.26 2h3i h SER 54 Ca -0.45 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2h3i h SER 54 Cb 1.16 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.03 2h3i h SER 54 CO 0.42 0.57 0.49 -0.08 -0.87 0.00 0.00 176.83 177.36 2h3i h GLU 55 N 1.02 1.01 -0.85 4.77 4.22 -1.96 -2.58 114.58 120.22 2h3i h GLU 55 Ca 0.40 -0.07 0.13 0.00 0.08 0.00 0.00 59.36 59.91 2h3i h GLU 55 Cb 0.24 -0.22 -0.09 0.00 0.50 0.00 0.00 28.75 29.18 2h3i h GLU 55 CO -0.16 0.69 0.45 0.78 -2.18 0.00 0.00 179.01 178.58 2h3i h GLY 56 N 1.03 1.36 1.01 1.92 0.00 -1.38 -1.10 103.07 105.91 2h3i h GLY 56 Ca 0.28 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2h3i h GLY 56 CO -0.06 0.00 0.48 0.00 0.00 0.00 0.00 176.54 176.97 2h3i h ARG 58 N 1.09 0.20 0.10 0.00 2.43 -1.11 0.40 114.38 117.49 2h3i h ARG 58 Ca 0.28 -0.01 -0.28 0.00 -0.81 0.00 0.00 59.98 59.16 2h3i h ARG 58 Cb -0.05 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 2h3i h ARG 58 CO -0.05 0.13 -1.40 0.37 -1.51 0.00 0.00 179.97 177.51 2h3i h GLN 59 N 0.21 0.20 0.41 0.20 4.15 -1.35 -3.21 115.11 115.72 2h3i h GLN 59 Ca 0.54 -0.35 -0.02 0.00 0.77 0.00 0.00 58.65 59.60 2h3i h GLN 59 Cb 1.74 0.13 0.00 0.00 0.21 0.00 0.00 27.48 29.56 2h3i h GLN 59 CO -0.15 1.08 -0.20 0.82 -1.93 0.00 0.00 178.83 178.46 2h3i h ILE 60 N 0.06 0.13 -0.95 2.39 2.04 -0.06 -2.83 117.51 118.28 2h3i h ILE 60 Ca -0.19 -0.63 0.26 0.00 1.00 0.00 0.00 64.86 65.31 2h3i h ILE 60 Cb 1.97 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 2h3i h ILE 60 CO 0.16 0.03 0.66 -0.07 0.00 0.00 0.00 178.15 178.94 2h3i h LEU 61 N -1.11 0.15 -0.64 1.44 3.38 -0.59 0.29 115.31 118.24 2h3i h LEU 61 Ca -0.06 0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 2h3i h LEU 61 Cb 0.47 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2h3i h LEU 61 CO 0.09 0.05 -0.56 1.23 0.09 0.00 0.00 178.44 179.34 2h3i h GLY 62 N 0.14 0.40 1.51 0.83 0.00 -1.55 0.50 103.07 104.89 2h3i h GLY 62 Ca 0.48 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2h3i h GLY 62 CO -0.08 0.41 -0.10 -1.06 0.00 0.00 0.00 176.54 175.72 2h3i n GLN 63 N -3.93 0.25 -0.02 4.80 6.02 0.95 -3.58 117.38 121.87 2h3i n GLN 63 Ca -0.03 -0.05 0.01 0.00 -0.01 0.00 0.00 57.00 56.92 2h3i n GLN 63 Cb 0.59 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.29 2h3i n GLN 63 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2h3i n LEU 64 N -1.33 0.00 0.20 1.08 4.77 -0.68 -4.49 117.00 116.56 2h3i n LEU 64 Ca 0.10 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.91 2h3i n LEU 64 Cb 0.30 0.08 -0.09 0.00 -2.33 0.00 0.00 43.42 41.38 2h3i n LEU 64 CO 0.27 0.08 0.54 -0.61 -1.33 0.00 0.00 177.39 176.33 2h3i h GLN 65 N 0.00 -0.83 0.00 3.23 4.15 -0.06 0.50 115.11 122.10 2h3i h GLN 65 Ca -0.09 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2h3i h GLN 65 Cb 0.85 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.73 2h3i h GLN 65 CO 0.00 -0.55 0.00 -0.35 -1.93 0.00 0.00 178.83 176.00 2h3i n PRO 66 N -5.52 0.27 -0.00 -2.39 -0.04 -1.26 -1.97 135.00 124.09 2h3i n PRO 66 Ca -0.10 0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2h3i n PRO 66 Cb 0.43 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.30 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 -1.22 0.99 0.29 3.54 7.64 -0.32 -4.36 113.62 120.18 2h3i n SER 67 Ca 0.08 -0.55 0.17 0.00 1.01 0.00 0.00 58.87 59.58 2h3i n SER 67 Cb 0.10 1.24 0.88 0.00 -1.01 0.00 0.00 64.21 65.42 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 0.59 0.53 115.31 116.38 2h3i h LEU 68 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 2h3i h LEU 68 Cb 0.46 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.15 2h3i h LEU 68 CO 0.00 0.00 -2.47 1.67 0.09 0.00 0.00 178.44 177.73 2h3i n GLN 69 N -3.13 0.63 0.01 1.13 -0.06 -1.26 -4.32 117.38 110.39 2h3i n GLN 69 Ca -0.01 0.20 0.09 0.00 -2.00 0.00 0.00 57.00 55.28 2h3i n GLN 69 Cb 0.35 -1.52 0.40 0.00 -4.06 0.00 0.00 30.24 25.41 2h3i n GLN 69 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2h3i n THR 70 N -3.60 0.74 -3.47 1.69 -2.24 -0.76 -4.78 114.28 101.85 2h3i n THR 70 Ca -0.48 0.18 -0.20 0.00 -2.27 0.00 0.00 64.05 61.27 2h3i n THR 70 Cb 0.96 -0.88 -0.02 0.00 -2.10 0.00 0.00 70.33 68.29 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 -3.05 2.11 0.00 3.38 0.00 0.18 -5.08 107.32 104.86 2h3i s GLY 71 Ca 0.09 -1.84 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2h3i s GLY 71 CO 0.35 -1.67 0.00 -1.14 0.00 0.00 0.00 173.10 170.63 2h3i n SER 72 N -1.62 0.00 0.32 1.64 3.41 -1.26 -4.87 113.62 111.24 2h3i n SER 72 Ca 0.04 -0.45 0.21 0.00 -0.26 0.00 0.00 58.87 58.41 2h3i n SER 72 Cb 0.61 0.00 1.07 0.00 -0.26 0.00 0.00 64.21 65.63 2h3i n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2h3i h GLU 73 N 0.00 0.00 -0.34 4.33 4.57 -2.00 -2.03 114.58 119.11 2h3i h GLU 73 Ca 0.00 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.02 2h3i h GLU 73 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2h3i h GLU 73 CO 0.00 0.00 -0.40 0.93 -1.18 0.00 0.00 179.01 178.36 2h3i h GLU 74 N 0.00 0.84 0.00 1.92 3.07 -2.00 -1.95 114.58 116.46 2h3i h GLU 74 Ca 0.00 -0.45 -0.04 0.00 -0.50 0.00 0.00 59.36 58.37 2h3i h GLU 74 Cb 0.14 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2h3i h GLU 74 CO 0.00 1.09 -0.20 1.25 -1.40 0.00 0.00 179.01 179.75 2h3i h LEU 75 N 0.68 0.00 0.13 1.33 6.46 -1.70 -3.12 115.31 119.09 2h3i h LEU 75 Ca 0.05 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.54 2h3i h LEU 75 Cb 0.98 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.91 2h3i h LEU 75 CO 0.09 0.20 -1.26 0.03 -0.62 0.00 0.00 178.44 176.88 2h3i h ARG 76 N 0.00 0.27 -0.08 1.25 3.08 -1.37 -3.07 114.38 114.46 2h3i h ARG 76 Ca -0.00 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.52 2h3i h ARG 76 Cb 0.88 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 2h3i h ARG 76 CO 0.03 1.21 -0.25 0.77 -1.07 0.00 0.00 179.97 180.66 2h3i h SER 77 N 0.07 0.13 0.26 7.04 0.02 -1.30 -2.70 113.55 117.08 2h3i h SER 77 Ca -0.14 -0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 2h3i h SER 77 Cb 1.98 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.48 2h3i h SER 77 CO 0.20 0.39 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.09 2h3i h LEU 78 N 0.13 -0.30 -0.91 5.07 -0.00 -1.60 -3.15 115.31 114.55 2h3i h LEU 78 Ca 0.02 -0.13 0.24 0.00 -0.00 0.00 0.00 57.88 58.01 2h3i h LEU 78 Cb 0.52 0.08 -0.14 0.00 -0.00 0.00 0.00 40.66 41.12 2h3i h LEU 78 CO 0.04 0.20 0.35 0.22 -0.00 0.00 0.00 178.44 179.25 2h3i h TYR 79 N -1.03 0.56 0.19 1.13 3.20 -1.54 0.31 116.97 119.80 2h3i h TYR 79 Ca -0.04 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 2h3i h TYR 79 Cb 0.41 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2h3i h TYR 79 CO 0.03 -0.14 -0.21 -0.91 -1.64 0.00 0.00 178.16 175.30 2h3i h ASN 80 N 0.30 -0.57 -0.02 -2.11 2.35 -1.55 -0.49 115.58 113.49 2h3i h ASN 80 Ca 0.58 0.05 0.03 0.00 -0.55 0.00 0.00 56.30 56.42 2h3i h ASN 80 Cb 1.19 0.19 -0.05 0.00 0.05 0.00 0.00 38.32 39.69 2h3i h ASN 80 CO -0.60 -0.27 -0.33 0.74 -1.65 0.00 0.00 177.43 175.32 2h3i h THR 81 N -0.40 0.29 -1.01 2.81 2.02 -1.33 -1.15 112.91 114.13 2h3i h THR 81 Ca -0.02 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.45 2h3i h THR 81 Cb 0.35 0.29 -0.14 0.00 -1.74 0.00 0.00 68.15 66.91 2h3i h THR 81 CO -0.03 0.00 0.59 0.40 0.37 0.00 0.00 175.52 176.85 2h3i h ILE 82 N -0.47 0.39 -0.61 3.11 2.04 -0.92 0.41 117.51 121.46 2h3i h ILE 82 Ca 0.06 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2h3i h ILE 82 Cb 0.57 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 2h3i h ILE 82 CO -0.28 0.08 0.14 0.00 0.00 0.00 0.00 178.15 178.09 2h3i h ALA 83 N 1.79 0.81 -0.48 1.87 0.00 0.16 -2.66 119.26 120.74 2h3i h ALA 83 Ca 0.70 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.35 2h3i h ALA 83 Cb 1.53 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2h3i h ALA 83 CO -0.54 0.52 0.17 0.28 0.00 0.00 0.00 179.25 179.69 2h3i h VAL 84 N 0.90 1.19 0.35 0.00 2.07 0.33 -2.92 116.25 118.16 2h3i h VAL 84 Ca 0.19 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 2h3i h VAL 84 Cb 0.36 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2h3i h VAL 84 CO 0.00 0.23 -0.17 0.25 0.02 0.00 0.00 177.57 177.90 2h3i h LEU 85 N 0.68 -0.40 -0.92 2.57 5.85 -1.04 -2.45 115.31 119.61 2h3i h LEU 85 Ca 0.16 -0.11 0.24 0.00 0.84 0.00 0.00 57.88 59.01 2h3i h LEU 85 Cb 0.17 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.17 2h3i h LEU 85 CO -0.01 -0.12 0.42 0.22 -0.34 0.00 0.00 178.44 178.61 2h3i h TYR 86 N -0.69 0.70 -0.04 1.25 3.20 -1.36 0.72 116.97 120.75 2h3i h TYR 86 Ca -0.05 0.04 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2h3i h TYR 86 Cb 0.48 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2h3i h TYR 86 CO -0.00 -0.06 -0.32 0.00 -1.64 0.00 0.00 178.16 176.13 2h3i h VAL 88 N 0.07 1.30 0.00 0.00 2.07 0.88 -0.28 116.25 120.29 2h3i h VAL 88 Ca 0.01 -1.85 -0.10 0.00 0.82 0.00 0.00 66.70 65.58 2h3i h VAL 88 Cb 0.61 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2h3i h VAL 88 CO 0.04 0.58 -0.47 0.45 0.02 0.00 0.00 177.57 178.20 2h3i h HIS 89 N 0.51 0.00 -0.28 1.57 -0.00 -0.93 -3.03 115.15 112.98 2h3i h HIS 89 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2h3i h HIS 89 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.61 2h3i h HIS 89 CO 0.06 0.47 0.00 1.04 -0.00 0.00 0.00 177.93 179.50 2h3i n GLN 90 N -3.40 2.27 -1.83 2.45 6.02 -0.75 -4.86 117.38 117.28 2h3i n GLN 90 Ca 0.01 -1.28 -0.18 0.00 -0.01 0.00 0.00 57.00 55.54 2h3i n GLN 90 Cb 0.62 -1.57 -0.05 0.00 1.02 0.00 0.00 30.24 30.26 2h3i n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2h3i n ARG 91 N 0.35 -1.56 -3.12 -1.09 0.00 -1.15 -4.93 116.66 105.17 2h3i n ARG 91 Ca 0.12 1.00 -0.40 0.00 -0.00 0.00 0.00 57.85 58.56 2h3i n ARG 91 Cb 0.49 -5.44 -0.06 0.00 0.00 0.00 0.00 32.46 27.45 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 -2.65 5.03 -0.62 5.15 1.01 -0.12 -5.02 121.20 123.98 2h3i s ILE 92 Ca 0.00 1.20 -0.25 0.00 0.00 0.00 0.00 60.65 61.61 2h3i s ILE 92 Cb 0.00 -3.95 0.05 0.00 0.01 0.00 0.00 42.46 38.57 2h3i s ILE 92 CO 0.00 0.14 1.03 -1.81 0.00 0.00 0.00 174.94 174.30 2h3i s ASP 93 N 1.11 6.27 0.56 3.58 1.11 -1.26 -4.38 116.67 123.66 2h3i s ASP 93 Ca 0.30 -0.51 -0.03 0.00 0.18 0.00 0.00 52.55 52.48 2h3i s ASP 93 Cb -0.16 -2.46 0.02 0.00 1.07 0.00 0.00 42.92 41.39 2h3i s ASP 93 CO 0.11 -1.42 0.82 0.68 1.18 0.00 0.00 175.17 176.55 2h3i s VAL 94 N 4.38 3.35 -0.07 -1.27 -7.23 -1.26 -5.03 120.40 113.28 2h3i s VAL 94 Ca 0.30 -0.32 0.10 0.00 -1.81 0.00 0.00 61.98 60.25 2h3i s VAL 94 Cb -0.13 -3.30 -0.15 0.00 0.56 0.00 0.00 36.38 33.36 2h3i s VAL 94 CO 0.16 -0.26 0.13 1.17 -0.31 0.00 0.00 175.10 176.00 2h3i n LYS 95 N -2.44 1.39 -3.65 4.82 4.81 -1.26 -4.87 118.16 116.96 2h3i n LYS 95 Ca 0.05 -0.05 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 2h3i n LYS 95 Cb 0.58 -1.28 -0.00 0.00 0.02 0.00 0.00 35.03 34.35 2h3i n LYS 95 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2h3i s ASP 96 N -3.88 -0.07 0.18 3.14 1.47 -1.26 -3.96 116.67 112.29 2h3i s ASP 96 Ca -0.05 -0.18 -0.26 0.00 1.18 0.00 0.00 52.55 53.25 2h3i s ASP 96 Cb 0.05 0.21 0.05 0.00 -0.34 0.00 0.00 42.92 42.89 2h3i s ASP 96 CO 0.46 -0.38 1.55 0.74 0.68 0.00 0.00 175.17 178.22 2h3i h THR 97 N 2.00 0.01 -0.35 2.11 2.02 -1.62 0.21 112.91 117.30 2h3i h THR 97 Ca -0.29 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.95 2h3i h THR 97 Cb 1.21 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 2h3i h THR 97 CO 0.28 0.00 0.01 0.50 0.37 0.00 0.00 175.52 176.68 2h3i h LYS 98 N -0.04 0.10 -1.00 6.66 3.64 -1.89 -1.17 116.57 122.87 2h3i h LYS 98 Ca 0.23 -0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.80 2h3i h LYS 98 Cb 0.50 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.19 2h3i h LYS 98 CO -0.92 0.07 0.61 1.49 -2.27 0.00 0.00 179.45 178.43 2h3i h GLU 99 N 0.11 0.67 0.58 1.90 4.57 -1.03 0.57 114.58 121.94 2h3i h GLU 99 Ca 0.17 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.28 2h3i h GLU 99 Cb 0.23 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.67 2h3i h GLU 99 CO -0.28 0.44 -0.28 0.00 -1.18 0.00 0.00 179.01 177.72 2h3i h ALA 100 N 1.65 -0.79 -0.35 2.92 0.00 0.06 -1.69 119.26 121.05 2h3i h ALA 100 Ca 0.58 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.36 2h3i h ALA 100 Cb 1.00 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 2h3i h ALA 100 CO -0.36 -0.78 -0.15 -0.07 0.00 0.00 0.00 179.25 177.89 2h3i h LEU 101 N -1.10 -0.50 -1.03 0.00 3.38 -0.78 -0.50 115.31 114.77 2h3i h LEU 101 Ca -0.08 0.13 0.08 0.00 0.09 0.00 0.00 57.88 58.10 2h3i h LEU 101 Cb 0.65 0.29 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 2h3i h LEU 101 CO 0.13 -0.18 0.64 -0.78 0.09 0.00 0.00 178.44 178.34 2h3i h ASP 102 N -0.08 0.98 -0.80 -0.43 3.58 -0.96 0.25 116.42 118.96 2h3i h ASP 102 Ca 0.18 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 2h3i h ASP 102 Cb 0.35 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 41.17 2h3i h ASP 102 CO -0.41 0.60 0.50 0.50 -2.88 0.00 0.00 179.24 177.55 2h3i h LYS 103 N 1.10 1.08 0.13 0.28 1.63 -0.13 0.35 116.57 121.00 2h3i h LYS 103 Ca 0.45 -0.09 -0.28 0.00 -0.85 0.00 0.00 60.65 59.89 2h3i h LYS 103 Cb 0.28 -0.23 0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2h3i h LYS 103 CO -0.20 0.74 -1.24 0.82 -3.45 0.00 0.00 179.45 176.12 2h3i h ILE 104 N 1.10 1.47 0.04 2.00 2.04 -0.39 -3.02 117.51 120.75 2h3i h ILE 104 Ca 0.29 -2.97 -0.00 0.00 1.00 0.00 0.00 64.86 63.18 2h3i h ILE 104 Cb -0.07 2.91 0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2h3i h ILE 104 CO -0.06 0.87 -0.02 -0.33 0.00 0.00 0.00 178.15 178.61 2h3i h GLU 105 N 0.10 -0.06 -0.96 2.37 5.08 -0.18 -1.02 114.58 119.92 2h3i h GLU 105 Ca -0.14 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2h3i h GLU 105 Cb 1.96 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 31.17 2h3i h GLU 105 CO 0.21 0.20 0.63 0.93 -1.00 0.00 0.00 179.01 179.98 2h3i h GLU 106 N -0.31 1.23 -0.12 2.33 5.08 -1.06 -1.23 114.58 120.49 2h3i h GLU 106 Ca -0.01 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2h3i h GLU 106 Cb 0.28 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2h3i h GLU 106 CO 0.01 0.81 0.02 0.93 -1.00 0.00 0.00 179.01 179.78 2h3i h GLU 107 N 1.26 0.20 -0.87 2.33 5.08 -1.42 0.10 114.58 121.27 2h3i h GLU 107 Ca 0.36 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.69 2h3i h GLU 107 Cb -0.09 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 2h3i h GLU 107 CO -0.09 0.39 0.58 1.96 -1.00 0.00 0.00 179.01 180.85 2h3i h GLN 108 N -0.03 1.11 -0.08 2.33 1.08 -0.85 -1.70 115.11 116.97 2h3i h GLN 108 Ca 0.04 -0.07 -0.20 0.00 -1.45 0.00 0.00 58.65 56.97 2h3i h GLN 108 Cb 0.29 -0.25 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 2h3i h GLN 108 CO 0.00 0.73 -0.78 -0.91 -0.95 0.00 0.00 178.83 176.93 2h3i h ASN 109 N 1.14 0.58 -0.39 1.46 4.21 -1.08 -3.16 115.58 118.33 2h3i h ASN 109 Ca 0.33 -0.39 -0.04 0.00 1.21 0.00 0.00 56.30 57.41 2h3i h ASN 109 Cb -0.07 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 36.94 2h3i h ASN 109 CO -0.08 1.15 0.13 0.11 -1.29 0.00 0.00 177.43 177.45 2h3i h LYS 110 N 0.32 0.67 0.00 0.81 1.57 -0.16 -1.98 116.57 117.80 2h3i h LYS 110 Ca -0.04 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 2h3i h LYS 110 Cb 1.38 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.57 2h3i h LYS 110 CO 0.14 0.60 -0.17 0.77 -0.57 0.00 0.00 179.45 180.21 2h3i h SER 111 N 0.66 0.00 0.15 0.86 0.02 -1.30 -2.16 113.55 111.78 2h3i h SER 111 Ca 0.15 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.96 2h3i h SER 111 Cb 0.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.75 2h3i h SER 111 CO -0.01 0.17 -0.51 0.50 -1.14 0.00 0.00 176.83 175.85 2h3i h LYS 112 N 0.00 0.41 0.01 3.45 3.64 -1.40 -1.38 116.57 121.29 2h3i h LYS 112 Ca -0.00 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 2h3i h LYS 112 Cb 0.32 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2h3i h LYS 112 CO 0.02 0.82 -0.00 0.87 -2.27 0.00 0.00 179.45 178.89 2h3i h LYS 113 N 0.32 -0.01 0.00 1.90 1.57 -1.30 -2.93 116.57 116.12 2h3i h LYS 113 Ca 0.01 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 2h3i h LYS 113 Cb 1.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 2h3i h LYS 113 CO 0.09 0.24 -0.37 -0.22 -0.57 0.00 0.00 179.45 178.62 2h3i h LYS 114 N -0.25 0.00 -0.05 3.15 3.64 -1.53 -2.72 116.57 118.81 2h3i h LYS 114 Ca -0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2h3i h LYS 114 Cb 0.25 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2h3i h LYS 114 CO 0.00 0.37 0.04 0.00 -2.27 0.00 0.00 179.45 177.59 2h3i h ALA 115 N 1.63 1.78 -1.07 5.00 0.00 -1.06 -2.44 119.26 123.10 2h3i h ALA 115 Ca -0.00 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 2h3i h ALA 115 Cb 0.75 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 18.12 2h3i h ALA 115 CO 0.05 -0.07 -0.82 1.04 0.00 0.00 0.00 179.25 179.45 2h3i n GLN 116 N -4.12 3.28 0.08 0.00 6.02 -1.03 -4.51 117.38 117.11 2h3i n GLN 116 Ca -0.02 -4.22 0.00 0.00 -0.01 0.00 0.00 57.00 52.75 2h3i n GLN 116 Cb 0.14 -2.17 0.00 0.00 1.02 0.00 0.00 30.24 29.23 2h3i n GLN 116 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2h3i n GLN 117 N -0.57 0.00 0.09 -1.09 0.00 -0.92 -4.89 117.38 109.99 2h3i n GLN 117 Ca 0.38 0.00 -0.08 0.00 -0.00 0.00 0.00 57.00 57.30 2h3i n GLN 117 Cb 0.82 -0.10 -0.04 0.00 0.00 0.00 0.00 30.24 30.93 2h3i n GLN 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2h3i h ALA 118 N 0.00 0.47 -0.88 1.69 0.00 -1.86 -3.37 119.26 115.31 2h3i h ALA 118 Ca 0.00 -0.78 -0.76 0.00 0.00 0.00 0.00 54.91 53.37 2h3i h ALA 118 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 17.54 2h3i h ALA 118 CO 0.00 1.01 2.06 0.00 0.00 0.00 0.00 179.25 182.32 2h3i n ALA 119 N -2.43 5.53 0.09 0.00 0.00 -1.26 -4.20 120.51 118.24 2h3i n ALA 119 Ca -0.03 -4.30 0.00 0.00 0.00 0.00 0.00 53.44 49.11 2h3i n ALA 119 Cb 0.85 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 3.60 1.50 -0.14 0.00 0.00 -1.26 -4.84 120.51 119.37 2h3i n ALA 120 Ca 0.42 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.01 2h3i n ALA 120 Cb 0.35 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.31 2h3i n ALA 120 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2h3i h ASP 121 N 0.00 0.37 -3.71 0.00 1.82 -1.82 -3.38 116.42 109.70 2h3i h ASP 121 Ca 0.00 0.02 -0.64 0.00 -0.39 0.00 0.00 57.03 56.02 2h3i h ASP 121 Cb 0.00 -0.06 -0.15 0.00 0.68 0.00 0.00 39.33 39.80 2h3i h ASP 121 CO 0.00 0.20 -0.24 0.42 -1.61 0.00 0.00 179.24 178.01 2h3i s THR 122 N -5.39 5.17 0.00 2.25 -4.23 -1.26 -4.66 115.64 107.52 2h3i s THR 122 Ca -0.08 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 2h3i s THR 122 Cb 0.21 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 70.31 2h3i s THR 122 CO 0.76 0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.53 2h3i n GLY 123 N 4.77 -0.00 3.61 3.99 0.00 -1.26 -4.99 105.19 111.30 2h3i n GLY 123 Ca -0.08 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2h3i n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2h3i s ASN 124 N -1.32 5.88 -0.49 1.61 3.04 -1.26 -4.88 114.94 117.51 2h3i s ASN 124 Ca 0.00 1.52 -0.26 0.00 0.04 0.00 0.00 52.86 54.16 2h3i s ASN 124 Cb 0.00 -2.52 -0.07 0.00 -1.54 0.00 0.00 41.25 37.12 2h3i s ASN 124 CO 0.00 -1.68 2.37 0.21 -3.04 0.00 0.00 177.10 174.96 2h3i s ASN 125 N 6.27 4.50 0.02 -4.21 3.84 -1.26 -4.87 114.94 119.23 2h3i s ASN 125 Ca 0.84 1.06 0.00 0.00 0.21 0.00 0.00 52.86 54.97 2h3i s ASN 125 Cb -0.26 -2.50 -0.00 0.00 -0.55 0.00 0.00 41.25 37.94 2h3i s ASN 125 CO 0.34 -2.84 0.01 -1.20 -2.79 0.00 0.00 177.10 170.62 2h3i n SER 126 N 15.66 -0.02 0.17 -4.21 7.64 -1.26 -5.11 113.62 126.49 2h3i n SER 126 Ca 0.36 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 59.12 2h3i n SER 126 Cb 0.55 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.83 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 -0.03 0.00 -2.03 1.43 6.02 -1.26 -5.02 117.38 116.49 2h3i n GLN 127 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.73 2h3i n GLN 127 Cb 0.03 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.24 2h3i n GLN 127 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2h3i s VAL 128 N -2.00 3.43 0.03 5.09 1.01 -1.26 -4.89 120.40 121.81 2h3i s VAL 128 Ca 0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 2h3i s VAL 128 Cb 0.00 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.38 2h3i s VAL 128 CO 0.00 -0.91 0.14 -0.94 0.00 0.00 0.00 175.10 173.40 2h3i s SER 129 N 8.07 0.08 0.00 3.32 1.04 -1.26 -5.05 113.70 119.91 2h3i s SER 129 Ca 0.71 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 56.78 2h3i s SER 129 Cb -0.07 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2h3i s SER 129 CO 0.00 -0.47 0.74 0.00 0.98 0.00 0.00 173.24 174.50 2h3i n GLN 130 N 0.99 0.00 -0.07 4.02 10.64 -1.26 -5.00 117.38 126.70 2h3i n GLN 130 Ca -0.20 -0.66 -0.09 0.00 -1.83 0.00 0.00 57.00 54.23 2h3i n GLN 130 Cb 0.57 0.39 -0.03 0.00 -0.86 0.00 0.00 30.24 30.32 2h3i n GLN 130 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2h3i n ASN 131 N 0.00 1.78 -0.17 2.61 4.13 -1.26 -5.35 115.26 117.01 2h3i n ASN 131 Ca -0.18 0.30 0.02 0.00 1.68 0.00 0.00 54.58 56.39 2h3i n ASN 131 Cb 0.58 -0.67 0.02 0.00 -1.54 0.00 0.00 39.78 38.17 2h3i n ASN 131 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32