#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3i h ALA 3 N 0.00 -0.29 -2.15 4.61 0.00 -2.12 -3.43 119.26 115.88 2h3i h ALA 3 Ca 0.00 -0.06 -0.56 0.00 0.00 0.00 0.00 54.91 54.29 2h3i h ALA 3 Cb 0.00 0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.90 2h3i h ALA 3 CO 0.00 -0.27 1.37 0.50 0.00 0.00 0.00 179.25 180.85 2h3i s ARG 4 N -2.44 3.60 0.01 0.00 3.52 -1.26 -4.95 118.95 117.43 2h3i s ARG 4 Ca -0.04 2.28 0.00 0.00 -0.13 0.00 0.00 55.73 57.84 2h3i s ARG 4 Cb 0.00 -4.27 -0.00 0.00 -1.56 0.00 0.00 34.95 29.12 2h3i s ARG 4 CO 0.12 -1.57 0.00 0.00 -0.81 0.00 0.00 175.30 173.04 2h3i n ALA 5 N 9.75 0.01 -2.63 6.12 0.00 -1.26 -4.99 120.51 127.51 2h3i n ALA 5 Ca 0.25 -0.04 -0.06 0.00 0.00 0.00 0.00 53.44 53.59 2h3i n ALA 5 Cb 0.43 0.02 0.01 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.66 -6.95 -0.07 0.00 7.64 -1.26 -5.00 113.62 106.31 2h3i n SER 6 Ca -0.00 0.43 -0.11 0.00 1.01 0.00 0.00 58.87 60.19 2h3i n SER 6 Cb 0.01 -4.66 -0.08 0.00 -1.01 0.00 0.00 64.21 58.47 2h3i n SER 6 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2h3i h VAL 7 N 1.61 0.95 -4.22 0.44 2.07 -1.99 -3.47 116.25 111.63 2h3i h VAL 7 Ca 0.00 -1.83 -0.50 0.00 0.82 0.00 0.00 66.70 65.19 2h3i h VAL 7 Cb 0.84 1.90 0.06 0.00 -1.52 0.00 0.00 31.29 32.57 2h3i h VAL 7 CO 0.17 0.32 0.36 -0.76 0.02 0.00 0.00 177.57 177.68 2h3i s LEU 8 N -8.21 3.25 0.00 2.57 1.43 -1.26 -4.86 118.68 111.60 2h3i s LEU 8 Ca -0.16 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.22 2h3i s LEU 8 Cb 0.00 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 41.95 2h3i s LEU 8 CO 0.45 -0.89 0.00 -0.24 0.23 0.00 0.00 176.35 175.90 2h3i n SER 9 N -2.70 0.00 -0.11 2.29 2.88 -1.26 -4.92 113.62 109.80 2h3i n SER 9 Ca 0.05 -0.51 -0.25 0.00 -1.33 0.00 0.00 58.87 56.83 2h3i n SER 9 Cb 0.55 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 2h3i n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2h3i n GLY 10 N 5.00 -0.65 0.23 0.46 0.00 -1.26 -3.28 105.19 105.69 2h3i n GLY 10 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.67 0.00 0.74 -0.02 0.00 -2.02 -3.18 103.07 97.92 2h3i h GLY 11 Ca -0.50 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.54 2h3i h GLY 11 CO -0.26 0.00 -1.43 -2.09 0.00 0.00 0.00 176.54 172.75 2h3i h GLU 12 N 0.00 0.32 -0.96 4.80 4.57 -1.93 -3.34 114.58 118.05 2h3i h GLU 12 Ca -0.00 -0.55 0.19 0.00 -1.18 0.00 0.00 59.36 57.82 2h3i h GLU 12 Cb 0.71 0.21 -0.09 0.00 -0.16 0.00 0.00 28.75 29.42 2h3i h GLU 12 CO 0.02 1.26 0.61 1.25 -1.18 0.00 0.00 179.01 180.98 2h3i h LEU 13 N -0.15 0.61 -0.51 1.64 6.46 -1.53 0.20 115.31 122.01 2h3i h LEU 13 Ca -0.29 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.52 2h3i h LEU 13 Cb 1.88 -0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 41.74 2h3i h LEU 13 CO 0.13 0.23 0.27 -0.78 -0.62 0.00 0.00 178.44 177.66 2h3i h ASP 14 N 0.60 0.66 -0.23 1.25 1.82 -1.67 -2.55 116.42 116.29 2h3i h ASP 14 Ca 0.52 -0.11 -0.06 0.00 -0.39 0.00 0.00 57.03 56.99 2h3i h ASP 14 Cb 1.02 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 40.85 2h3i h ASP 14 CO -0.27 0.58 -0.04 0.11 -1.61 0.00 0.00 179.24 178.01 2h3i h LYS 15 N 0.68 0.57 -0.91 0.28 1.57 -1.11 -2.66 116.57 114.99 2h3i h LYS 15 Ca 0.18 -0.14 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 2h3i h LYS 15 Cb 0.08 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 2h3i h LYS 15 CO -0.03 0.62 0.56 2.35 -0.57 0.00 0.00 179.45 182.39 2h3i h TRP 16 N 0.54 1.03 0.00 -1.35 2.91 -0.89 0.11 115.95 118.29 2h3i h TRP 16 Ca 0.11 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.16 2h3i h TRP 16 Cb 0.40 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 2h3i h TRP 16 CO 0.02 0.48 0.00 0.39 -1.03 0.00 0.00 178.44 178.29 2h3i n GLU 17 N -4.63 0.13 0.00 2.65 1.02 -1.03 -2.90 120.64 115.88 2h3i n GLU 17 Ca 0.15 0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.54 2h3i n GLU 17 Cb 0.24 -1.66 0.40 0.00 -0.02 0.00 0.00 31.44 30.41 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 -1.89 0.26 -3.37 3.49 4.81 0.32 -4.21 118.16 117.58 2h3i n LYS 18 Ca 0.06 -0.12 -0.38 0.00 -0.87 0.00 0.00 58.31 57.00 2h3i n LYS 18 Cb 0.38 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.87 2h3i n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2h3i s ILE 19 N -2.82 5.05 0.60 3.15 1.01 -0.92 -4.96 121.20 122.31 2h3i s ILE 19 Ca 0.17 0.97 -0.04 0.00 0.00 0.00 0.00 60.65 61.74 2h3i s ILE 19 Cb 0.19 -3.80 0.13 0.00 0.01 0.00 0.00 42.46 38.98 2h3i s ILE 19 CO 0.60 0.45 0.82 -2.11 0.00 0.00 0.00 174.94 174.70 2h3i n ARG 20 N 2.72 -0.29 -0.09 2.79 1.85 -1.26 -0.15 116.66 122.22 2h3i n ARG 20 Ca -0.10 -1.82 -0.12 0.00 -1.00 0.00 0.00 57.85 54.81 2h3i n ARG 20 Cb 0.52 -0.67 -0.10 0.00 -1.05 0.00 0.00 32.46 31.15 2h3i n ARG 20 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2h3i n LEU 21 N 0.00 2.31 -4.78 2.89 4.77 0.47 -3.60 117.00 119.06 2h3i n LEU 21 Ca 0.12 -0.08 -0.23 0.00 -0.03 0.00 0.00 56.01 55.79 2h3i n LEU 21 Cb 0.43 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2h3i n LEU 21 CO 0.30 0.73 -0.13 -0.13 -1.33 0.00 0.00 177.39 176.84 2h3i s ARG 22 N -2.39 2.37 -0.02 3.23 0.52 -1.26 -3.64 118.95 117.75 2h3i s ARG 22 Ca -0.22 -1.65 -0.26 0.00 -0.52 0.00 0.00 55.73 53.08 2h3i s ARG 22 Cb 0.06 -2.17 -0.20 0.00 0.52 0.00 0.00 34.95 33.17 2h3i s ARG 22 CO 0.50 -0.06 1.26 -1.00 0.02 0.00 0.00 175.30 176.02 2h3i h PRO 23 N 1.35 -0.01 -0.15 3.54 0.13 -1.95 -3.34 132.00 131.57 2h3i h PRO 23 Ca -0.43 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 2h3i h PRO 23 Cb 1.26 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 2h3i h PRO 23 CO 0.64 0.47 -0.29 0.41 -0.23 0.00 0.00 178.00 179.00 2h3i n GLY 24 N 0.22 5.00 0.00 1.56 0.00 -1.26 -4.93 105.19 105.79 2h3i n GLY 24 Ca -0.08 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.12 1.73 0.00 -0.02 0.00 -1.25 -5.05 105.19 99.47 2h3i n GLY 25 Ca 0.25 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.65 1.96 -2.16 1.61 5.02 -1.26 -4.92 118.16 117.76 2h3i n LYS 26 Ca 0.00 -0.19 -0.42 0.00 -2.02 0.00 0.00 58.31 55.69 2h3i n LYS 26 Cb 0.00 -0.62 -0.03 0.00 -0.02 0.00 0.00 35.03 34.36 2h3i n LYS 26 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2h3i s LYS 27 N -0.33 4.34 0.49 1.97 2.47 -1.26 -4.96 119.74 122.46 2h3i s LYS 27 Ca 0.00 2.11 0.05 0.00 -1.56 0.00 0.00 55.97 56.58 2h3i s LYS 27 Cb 0.00 -3.20 0.00 0.00 -1.46 0.00 0.00 37.83 33.17 2h3i s LYS 27 CO 0.00 -0.36 0.27 -0.65 0.16 0.00 0.00 175.35 174.77 2h3i s GLN 28 N 0.36 2.26 0.08 4.03 1.11 -1.26 -0.39 119.66 125.85 2h3i s GLN 28 Ca 0.61 -2.00 -0.06 0.00 0.01 0.00 0.00 55.36 53.92 2h3i s GLN 28 Cb -0.38 -1.99 -0.05 0.00 -1.01 0.00 0.00 33.01 29.58 2h3i s GLN 28 CO 0.36 -0.40 0.33 0.71 0.01 0.00 0.00 175.29 176.29 2h3i s TYR 29 N -2.72 3.53 0.18 0.91 2.02 0.79 -4.69 117.35 117.37 2h3i s TYR 29 Ca 0.32 0.58 -0.04 0.00 -0.37 0.00 0.00 57.07 57.56 2h3i s TYR 29 Cb 0.00 -2.01 -0.03 0.00 -0.40 0.00 0.00 41.96 39.52 2h3i s TYR 29 CO 0.19 0.52 0.19 0.21 -1.57 0.00 0.00 175.55 175.09 2h3i s LYS 30 N -2.22 1.15 0.26 -0.62 2.20 -1.26 -4.16 119.74 115.08 2h3i s LYS 30 Ca 0.35 -1.41 -0.07 0.00 -0.36 0.00 0.00 55.97 54.47 2h3i s LYS 30 Cb -0.13 0.31 0.45 0.00 -1.51 0.00 0.00 37.83 36.96 2h3i s LYS 30 CO 0.21 -0.39 1.61 -0.07 -0.36 0.00 0.00 175.35 176.35 2h3i h LEU 31 N 2.63 -0.54 -0.76 5.43 -0.00 -1.99 0.11 115.31 120.18 2h3i h LEU 31 Ca -0.33 0.23 0.24 0.00 -0.00 0.00 0.00 57.88 58.02 2h3i h LEU 31 Cb 1.23 0.43 -0.14 0.00 -0.00 0.00 0.00 40.66 42.18 2h3i h LEU 31 CO 0.51 -0.24 0.13 0.29 -0.00 0.00 0.00 178.44 179.13 2h3i n LYS 32 N -5.44 -0.06 -0.03 1.13 5.02 -1.26 0.11 118.16 117.62 2h3i n LYS 32 Ca 0.14 1.12 -0.13 0.00 -2.02 0.00 0.00 58.31 57.42 2h3i n LYS 32 Cb 0.49 -1.84 -0.09 0.00 -0.02 0.00 0.00 35.03 33.58 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 0.21 -1.00 2.13 3.86 -1.20 -0.29 115.15 118.86 2h3i h HIS 33 Ca 0.51 -0.06 0.23 0.00 -1.16 0.00 0.00 60.37 59.89 2h3i h HIS 33 Cb 1.17 -0.04 -0.10 0.00 1.06 0.00 0.00 27.41 29.49 2h3i h HIS 33 CO -0.28 0.62 0.63 0.82 0.86 0.00 0.00 177.93 180.57 2h3i h ILE 34 N -0.26 0.61 0.04 2.45 2.04 0.75 0.50 117.51 123.64 2h3i h ILE 34 Ca 0.01 -0.19 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 2h3i h ILE 34 Cb 0.58 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 36.67 2h3i h ILE 34 CO 0.02 0.10 -0.29 0.58 0.00 0.00 0.00 178.15 178.56 2h3i h VAL 35 N 0.56 1.64 -0.02 1.67 2.07 -1.25 -2.49 116.25 118.43 2h3i h VAL 35 Ca 0.58 -2.26 0.01 0.00 0.82 0.00 0.00 66.70 65.85 2h3i h VAL 35 Cb 1.19 3.13 -0.00 0.00 -1.52 0.00 0.00 31.29 34.09 2h3i h VAL 35 CO -0.34 0.61 0.14 -0.25 0.02 0.00 0.00 177.57 177.75 2h3i h TRP 36 N -0.67 0.00 0.00 1.57 7.01 -0.10 0.28 115.95 124.05 2h3i h TRP 36 Ca -0.05 0.00 -0.15 0.00 2.11 0.00 0.00 58.89 60.80 2h3i h TRP 36 Cb 1.16 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.20 2h3i h TRP 36 CO 0.22 0.00 -0.94 0.00 -2.79 0.00 0.00 178.44 174.93 2h3i h ALA 37 N 1.73 0.18 -0.24 2.65 0.00 -0.97 -3.32 119.26 119.29 2h3i h ALA 37 Ca 0.01 -0.96 -0.04 0.00 0.00 0.00 0.00 54.91 53.92 2h3i h ALA 37 Cb 0.30 0.60 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2h3i h ALA 37 CO -0.00 0.57 -0.03 1.03 0.00 0.00 0.00 179.25 180.82 2h3i h SER 38 N -1.00 0.33 0.48 0.00 0.87 -0.98 -0.82 113.55 112.43 2h3i h SER 38 Ca -0.23 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.27 2h3i h SER 38 Cb 1.06 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 2h3i h SER 38 CO -0.14 0.42 0.00 -1.14 -0.53 0.00 0.00 176.83 175.44 2h3i n ARG 39 N -4.31 0.18 -0.11 2.24 0.00 0.96 -2.85 116.66 112.77 2h3i n ARG 39 Ca 0.00 0.13 -0.13 0.00 -0.00 0.00 0.00 57.85 57.84 2h3i n ARG 39 Cb 0.23 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.04 2h3i n ARG 39 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2h3i n GLU 40 N -1.36 0.67 -0.32 -0.14 4.07 -0.35 -4.42 120.64 118.79 2h3i n GLU 40 Ca 0.08 0.07 -0.04 0.00 -0.06 0.00 0.00 57.16 57.20 2h3i n GLU 40 Cb 0.18 -1.53 0.08 0.00 -0.06 0.00 0.00 31.44 30.11 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 0.00 1.05 -1.27 4.31 3.38 -1.29 -2.16 115.31 119.34 2h3i h LEU 41 Ca -0.55 -0.08 0.19 0.00 0.09 0.00 0.00 57.88 57.52 2h3i h LEU 41 Cb 2.10 -0.27 -0.08 0.00 0.09 0.00 0.00 40.66 42.49 2h3i h LEU 41 CO -0.02 0.83 0.61 -0.33 0.09 0.00 0.00 178.44 179.62 2h3i h GLU 42 N 1.19 0.58 0.00 1.13 4.39 -1.36 0.38 114.58 120.89 2h3i h GLU 42 Ca 0.30 -0.03 -0.11 0.00 0.34 0.00 0.00 59.36 59.86 2h3i h GLU 42 Cb -0.01 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2h3i h GLU 42 CO -0.05 0.38 -0.52 -0.09 -1.16 0.00 0.00 179.01 177.57 2h3i h ARG 43 N 0.60 0.00 -0.98 2.33 2.43 -1.63 -3.21 114.38 113.92 2h3i h ARG 43 Ca 0.52 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.44 2h3i h ARG 43 Cb 1.02 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.42 2h3i h ARG 43 CO -0.27 0.52 0.32 1.19 -1.51 0.00 0.00 179.97 180.22 2h3i n PHE 44 N -3.26 1.57 -1.66 2.20 3.72 0.98 -4.82 117.46 116.19 2h3i n PHE 44 Ca 0.02 -1.14 -0.17 0.00 -0.05 0.00 0.00 57.45 56.11 2h3i n PHE 44 Cb 0.73 -0.59 -0.06 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.31 -0.34 -3.07 4.37 0.00 -1.06 -4.94 120.51 115.16 2h3i n ALA 45 Ca 0.30 0.26 -0.33 0.00 0.00 0.00 0.00 53.44 53.67 2h3i n ALA 45 Cb 1.09 -1.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.55 3.12 0.20 0.00 1.01 0.85 -5.01 120.40 118.02 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 1.26 0.20 0.00 0.00 0.00 175.10 177.08 2h3i s ASN 47 N 0.35 6.97 0.00 3.32 -0.87 -1.26 -1.86 114.94 121.59 2h3i s ASN 47 Ca -0.10 2.34 0.15 0.00 -1.57 0.00 0.00 52.86 53.68 2h3i s ASN 47 Cb -0.16 -2.61 0.79 0.00 -0.02 0.00 0.00 41.25 39.25 2h3i s ASN 47 CO 0.05 -0.46 1.39 -0.81 -2.57 0.00 0.00 177.10 174.70 2h3i n PRO 48 N 2.49 0.28 0.05 -0.60 -0.04 -1.26 -2.53 135.00 133.39 2h3i n PRO 48 Ca 0.05 0.11 -0.03 0.00 -0.04 0.00 0.00 63.50 63.59 2h3i n PRO 48 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 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 2.44 0.00 1.49 0.55 0.00 -1.96 -3.32 103.07 102.27 2h3i h GLY 49 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.38 2h3i h GLY 49 CO 0.00 0.00 0.23 1.41 0.00 0.00 0.00 176.54 178.18 2h3i h LEU 50 N 0.00 0.22 -0.04 3.11 3.38 -1.86 0.15 115.31 120.28 2h3i h LEU 50 Ca -0.11 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2h3i h LEU 50 Cb 1.68 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.38 2h3i h LEU 50 CO 0.08 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.93 2h3i n LEU 51 N -4.48 0.03 0.12 1.67 4.77 -1.25 -2.06 117.00 115.79 2h3i n LEU 51 Ca 0.04 0.51 -0.02 0.00 -0.03 0.00 0.00 56.01 56.50 2h3i n LEU 51 Cb 0.23 -0.51 0.08 0.00 -2.33 0.00 0.00 43.42 40.89 2h3i n LEU 51 CO 0.35 -0.31 0.39 -0.08 -1.33 0.00 0.00 177.39 176.40 2h3i h GLU 52 N 0.00 0.00 -6.57 3.23 4.81 -0.90 -3.45 114.58 111.71 2h3i h GLU 52 Ca 0.00 0.00 -0.69 0.00 -0.13 0.00 0.00 59.36 58.54 2h3i h GLU 52 Cb 0.21 0.00 -0.26 0.00 0.63 0.00 0.00 28.75 29.33 2h3i h GLU 52 CO 0.00 0.71 -0.84 0.95 -0.73 0.00 0.00 179.01 179.10 2h3i s THR 53 N -3.23 2.49 0.40 0.32 -4.23 -0.88 -4.91 115.64 105.59 2h3i s THR 53 Ca 0.00 -1.11 0.10 0.00 -1.18 0.00 0.00 61.69 59.51 2h3i s THR 53 Cb 0.11 -1.96 0.32 0.00 1.34 0.00 0.00 72.50 72.30 2h3i s THR 53 CO 0.77 0.47 1.95 -1.28 -0.54 0.00 0.00 174.62 176.00 2h3i h SER 54 N 5.05 0.52 -0.75 3.99 0.87 -1.86 -0.91 113.55 120.46 2h3i h SER 54 Ca -0.46 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.08 2h3i h SER 54 Cb 1.14 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.97 2h3i h SER 54 CO 0.47 0.31 0.34 -0.08 -0.53 0.00 0.00 176.83 177.34 2h3i h GLU 55 N 0.58 1.10 -0.41 2.24 4.57 -1.95 -2.80 114.58 117.90 2h3i h GLU 55 Ca 0.32 -0.17 0.02 0.00 -1.18 0.00 0.00 59.36 58.35 2h3i h GLU 55 Cb 0.47 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 2h3i h GLU 55 CO -0.11 0.87 0.24 0.78 -1.18 0.00 0.00 179.01 179.61 2h3i h GLY 56 N 1.13 0.57 0.90 1.92 0.00 -1.23 -2.85 103.07 103.51 2h3i h GLY 56 Ca 0.26 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.42 2h3i h GLY 56 CO -0.03 0.15 0.03 0.00 0.00 0.00 0.00 176.54 176.69 2h3i h ARG 58 N 0.09 0.29 0.25 0.00 2.43 -1.28 0.37 114.38 116.53 2h3i h ARG 58 Ca 0.05 -0.02 -0.32 0.00 -0.81 0.00 0.00 59.98 58.88 2h3i h ARG 58 Cb 0.03 -0.07 0.04 0.00 -0.42 0.00 0.00 29.97 29.56 2h3i h ARG 58 CO -0.06 0.19 -1.42 0.37 -1.51 0.00 0.00 179.97 177.55 2h3i h GLN 59 N 0.30 0.52 0.56 0.20 5.75 -1.19 -3.19 115.11 118.07 2h3i h GLN 59 Ca 0.60 -0.90 -0.03 0.00 -0.15 0.00 0.00 58.65 58.18 2h3i h GLN 59 Cb 1.70 0.33 0.01 0.00 1.07 0.00 0.00 27.48 30.59 2h3i h GLN 59 CO -0.25 1.43 -0.27 0.82 -2.65 0.00 0.00 178.83 177.91 2h3i h ILE 60 N 0.10 0.33 -0.38 2.39 2.04 0.62 -2.78 117.51 119.83 2h3i h ILE 60 Ca -0.25 -0.33 0.11 0.00 1.00 0.00 0.00 64.86 65.39 2h3i h ILE 60 Cb 2.12 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 2h3i h ILE 60 CO 0.27 0.04 0.46 -0.07 0.00 0.00 0.00 178.15 178.85 2h3i h LEU 61 N -0.99 0.00 -0.76 1.44 3.38 -0.56 0.15 115.31 117.97 2h3i h LEU 61 Ca -0.08 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2h3i h LEU 61 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2h3i h LEU 61 CO 0.13 0.00 -0.29 1.23 0.09 0.00 0.00 178.44 179.60 2h3i h GLY 62 N 0.00 0.68 0.65 0.83 0.00 -1.47 0.45 103.07 104.20 2h3i h GLY 62 Ca 0.18 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.91 2h3i h GLY 62 CO -0.00 0.54 -0.23 -1.06 0.00 0.00 0.00 176.54 175.79 2h3i n GLN 63 N -4.09 0.63 -0.08 4.80 1.13 0.48 -3.90 117.38 116.35 2h3i n GLN 63 Ca -0.01 -0.31 -0.09 0.00 -1.94 0.00 0.00 57.00 54.65 2h3i n GLN 63 Cb 0.45 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 29.20 2h3i n GLN 63 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2h3i n LEU 64 N -0.91 0.81 0.18 1.08 4.77 -0.93 -4.23 117.00 117.77 2h3i n LEU 64 Ca 0.12 -0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 2h3i n LEU 64 Cb 0.32 0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 2h3i n LEU 64 CO 0.26 0.49 0.52 -0.61 -1.33 0.00 0.00 177.39 176.72 2h3i h GLN 65 N 0.00 -0.82 0.00 3.23 4.15 -0.22 0.12 115.11 121.57 2h3i h GLN 65 Ca -0.41 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.07 2h3i h GLN 65 Cb 1.85 0.19 0.00 0.00 0.21 0.00 0.00 27.48 29.72 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 -5.46 0.14 0.00 -2.39 -0.04 -1.26 -1.96 135.00 124.03 2h3i n PRO 66 Ca -0.10 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.65 2h3i n PRO 66 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.36 0.65 0.26 3.54 7.64 -0.35 -4.24 113.62 119.76 2h3i n SER 67 Ca 0.06 -0.54 0.17 0.00 1.01 0.00 0.00 58.87 59.56 2h3i n SER 67 Cb 0.13 1.15 0.78 0.00 -1.01 0.00 0.00 64.21 65.27 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 0.12 -3.43 3.38 -0.16 0.48 115.31 115.69 2h3i h LEU 68 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2h3i h LEU 68 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2h3i h LEU 68 CO 0.00 0.00 -1.84 -0.61 0.09 0.00 0.00 178.44 176.08 2h3i h GLN 69 N 0.00 0.25 0.17 1.13 4.15 -1.79 -3.40 115.11 115.62 2h3i h GLN 69 Ca 0.06 -0.42 -0.01 0.00 0.77 0.00 0.00 58.65 59.05 2h3i h GLN 69 Cb 0.82 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.67 2h3i h GLN 69 CO -0.00 1.20 -0.08 1.15 -1.93 0.00 0.00 178.83 179.17 2h3i h THR 70 N -0.08 0.76 -3.47 2.39 2.02 -1.22 -3.46 112.91 109.85 2h3i h THR 70 Ca -0.40 -1.12 -0.48 0.00 0.77 0.00 0.00 66.41 65.18 2h3i h THR 70 Cb 1.93 1.29 0.21 0.00 -1.74 0.00 0.00 68.15 69.85 2h3i h THR 70 CO 0.06 0.20 -0.18 0.61 0.37 0.00 0.00 175.52 176.58 2h3i n GLY 71 N 0.68 -1.54 0.00 2.16 0.00 0.15 -5.03 105.19 101.60 2h3i n GLY 71 Ca -0.07 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2h3i n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h3i n SER 72 N -3.70 0.00 -0.33 1.61 3.41 -1.26 -4.84 113.62 108.51 2h3i n SER 72 Ca 0.06 -0.60 0.07 0.00 -0.26 0.00 0.00 58.87 58.14 2h3i n SER 72 Cb 0.54 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.72 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 0.83 -0.98 4.33 5.08 -1.96 -0.58 114.58 121.31 2h3i h GLU 73 Ca 0.00 -0.05 0.17 0.00 -1.00 0.00 0.00 59.36 58.48 2h3i h GLU 73 Cb 0.00 -0.19 -0.09 0.00 0.50 0.00 0.00 28.75 28.97 2h3i h GLU 73 CO 0.00 0.55 0.61 0.93 -1.00 0.00 0.00 179.01 180.10 2h3i h GLU 74 N 0.86 0.73 0.00 2.33 4.39 -2.00 0.34 114.58 121.23 2h3i h GLU 74 Ca 0.47 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 60.09 2h3i h GLU 74 Cb 0.52 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2h3i h GLU 74 CO -0.29 0.49 -0.17 1.25 -1.16 0.00 0.00 179.01 179.13 2h3i h LEU 75 N 0.76 0.00 -0.05 1.33 5.85 -1.42 -2.68 115.31 119.09 2h3i h LEU 75 Ca 0.53 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 59.06 2h3i h LEU 75 Cb 0.83 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.88 2h3i h LEU 75 CO -0.31 0.17 -0.72 -0.09 -0.34 0.00 0.00 178.44 177.16 2h3i h ARG 76 N 0.00 0.57 0.00 1.25 1.12 -0.29 -2.85 114.38 114.18 2h3i h ARG 76 Ca -0.00 -0.55 -0.02 0.00 -1.11 0.00 0.00 59.98 58.30 2h3i h ARG 76 Cb 0.37 0.14 -0.00 0.00 -0.01 0.00 0.00 29.97 30.47 2h3i h ARG 76 CO 0.02 1.17 -0.08 0.66 -3.11 0.00 0.00 179.97 178.63 2h3i h SER 77 N 0.18 0.00 0.21 -3.80 4.64 -1.10 -2.43 113.55 111.25 2h3i h SER 77 Ca -0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 2h3i h SER 77 Cb 1.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2h3i h SER 77 CO 0.14 0.08 -0.10 -0.07 -0.87 0.00 0.00 176.83 176.02 2h3i h LEU 78 N 0.00 -0.24 -0.80 5.97 -0.00 -1.47 -3.10 115.31 115.67 2h3i h LEU 78 Ca -0.00 -0.11 0.19 0.00 -0.00 0.00 0.00 57.88 57.95 2h3i h LEU 78 Cb 0.18 0.06 -0.12 0.00 -0.00 0.00 0.00 40.66 40.78 2h3i h LEU 78 CO 0.01 0.27 0.20 0.22 -0.00 0.00 0.00 178.44 179.14 2h3i h TYR 79 N -1.04 0.31 0.25 1.13 3.20 -1.40 0.29 116.97 119.72 2h3i h TYR 79 Ca -0.03 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2h3i h TYR 79 Cb 0.34 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.58 2h3i h TYR 79 CO 0.03 -0.12 -0.31 -0.91 -1.64 0.00 0.00 178.16 175.21 2h3i h ASN 80 N 0.26 -0.87 0.24 -2.11 4.21 -1.54 0.13 115.58 115.89 2h3i h ASN 80 Ca 0.47 0.08 0.00 0.00 1.21 0.00 0.00 56.30 58.06 2h3i h ASN 80 Cb 0.85 0.30 -0.02 0.00 -1.12 0.00 0.00 38.32 38.33 2h3i h ASN 80 CO -0.56 -0.39 -0.25 0.74 -1.29 0.00 0.00 177.43 175.67 2h3i h THR 81 N -0.58 0.45 -0.99 2.81 2.02 -1.32 -2.22 112.91 113.08 2h3i h THR 81 Ca -0.03 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.44 2h3i h THR 81 Cb 0.52 0.45 -0.14 0.00 -1.74 0.00 0.00 68.15 67.24 2h3i h THR 81 CO -0.07 0.00 0.56 0.40 0.37 0.00 0.00 175.52 176.78 2h3i h ILE 82 N -0.53 0.40 -0.55 3.11 2.04 -0.40 0.28 117.51 121.86 2h3i h ILE 82 Ca -0.00 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2h3i h ILE 82 Cb 0.50 -0.06 -0.03 0.00 -0.74 0.00 0.00 36.82 36.49 2h3i h ILE 82 CO -0.07 0.08 0.36 0.00 0.00 0.00 0.00 178.15 178.52 2h3i h ALA 83 N 1.80 0.70 -0.99 1.87 0.00 -0.34 -2.30 119.26 120.00 2h3i h ALA 83 Ca 0.69 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.65 2h3i h ALA 83 Cb 1.46 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 2h3i h ALA 83 CO -0.56 0.13 0.64 0.28 0.00 0.00 0.00 179.25 179.74 2h3i h VAL 84 N 0.74 1.02 0.28 0.00 2.07 -0.23 -2.50 116.25 117.62 2h3i h VAL 84 Ca 0.20 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2h3i h VAL 84 Cb -0.07 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.53 2h3i h VAL 84 CO -0.05 0.20 -0.13 0.25 0.02 0.00 0.00 177.57 177.85 2h3i h LEU 85 N 1.09 -0.32 -0.67 2.57 5.85 -1.11 -1.70 115.31 121.01 2h3i h LEU 85 Ca 0.45 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 59.20 2h3i h LEU 85 Cb 0.31 0.08 -0.13 0.00 0.37 0.00 0.00 40.66 41.29 2h3i h LEU 85 CO -0.21 -0.08 -0.15 0.22 -0.34 0.00 0.00 178.44 177.89 2h3i h TYR 86 N -0.55 -0.31 0.00 1.25 3.20 -1.04 0.57 116.97 120.08 2h3i h TYR 86 Ca -0.04 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.84 2h3i h TYR 86 Cb 0.41 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 2h3i h TYR 86 CO -0.01 -0.28 -0.26 0.00 -1.64 0.00 0.00 178.16 175.97 2h3i h VAL 88 N 0.00 1.36 0.00 0.00 2.07 0.98 0.20 116.25 120.86 2h3i h VAL 88 Ca -0.00 -1.92 -0.19 0.00 0.82 0.00 0.00 66.70 65.41 2h3i h VAL 88 Cb 0.47 1.92 -0.03 0.00 -1.52 0.00 0.00 31.29 32.14 2h3i h VAL 88 CO 0.03 0.58 -0.92 0.45 0.02 0.00 0.00 177.57 177.74 2h3i h HIS 89 N 0.28 0.03 -0.20 1.57 -0.00 -0.41 -3.18 115.15 113.24 2h3i h HIS 89 Ca -0.00 -0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.32 2h3i h HIS 89 Cb 1.12 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.51 2h3i h HIS 89 CO 0.03 0.92 0.03 0.94 -0.00 0.00 0.00 177.93 179.86 2h3i n GLN 90 N -3.47 2.07 -1.58 2.45 7.27 -0.80 -4.82 117.38 118.50 2h3i n GLN 90 Ca -0.01 -0.97 -0.19 0.00 0.07 0.00 0.00 57.00 55.91 2h3i n GLN 90 Cb 0.86 -1.68 -0.08 0.00 2.41 0.00 0.00 30.24 31.76 2h3i n GLN 90 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 2h3i n ARG 91 N 0.16 -1.43 -3.26 3.69 0.63 -1.20 -4.93 116.66 110.32 2h3i n ARG 91 Ca 0.10 1.10 -0.39 0.00 -0.92 0.00 0.00 57.85 57.74 2h3i n ARG 91 Cb 0.60 -5.46 -0.07 0.00 0.45 0.00 0.00 32.46 27.98 2h3i n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2h3i s ILE 92 N -2.60 5.12 -0.40 5.15 1.01 0.70 -5.03 121.20 125.15 2h3i s ILE 92 Ca 0.00 0.92 -0.20 0.00 0.00 0.00 0.00 60.65 61.37 2h3i s ILE 92 Cb 0.00 -3.83 0.01 0.00 0.01 0.00 0.00 42.46 38.66 2h3i s ILE 92 CO 0.00 0.19 0.60 -1.81 0.00 0.00 0.00 174.94 173.92 2h3i s ASP 93 N 1.15 6.34 0.51 3.58 1.01 -1.26 -3.95 116.67 124.05 2h3i s ASP 93 Ca 0.23 -0.15 -0.01 0.00 0.71 0.00 0.00 52.55 53.33 2h3i s ASP 93 Cb -0.15 -2.31 0.01 0.00 1.01 0.00 0.00 42.92 41.48 2h3i s ASP 93 CO 0.09 -0.66 0.76 0.68 0.21 0.00 0.00 175.17 176.25 2h3i s VAL 94 N 2.67 3.59 -0.03 -1.27 -7.23 -1.26 -5.02 120.40 111.84 2h3i s VAL 94 Ca 0.22 -0.41 0.18 0.00 -1.81 0.00 0.00 61.98 60.17 2h3i s VAL 94 Cb -0.15 -3.36 -0.28 0.00 0.56 0.00 0.00 36.38 33.15 2h3i s VAL 94 CO 0.16 -0.29 0.39 0.29 -0.31 0.00 0.00 175.10 175.35 2h3i n LYS 95 N -2.28 0.58 -3.74 4.82 5.02 -1.26 -4.90 118.16 116.40 2h3i n LYS 95 Ca 0.04 -0.16 0.03 0.00 -2.02 0.00 0.00 58.31 56.20 2h3i n LYS 95 Cb 0.58 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 2h3i n LYS 95 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2h3i s ASP 96 N -4.16 -0.02 0.00 4.39 1.47 -1.26 -4.47 116.67 112.62 2h3i s ASP 96 Ca -0.07 -0.09 0.02 0.00 1.18 0.00 0.00 52.55 53.60 2h3i s ASP 96 Cb 0.11 0.08 0.09 0.00 -0.34 0.00 0.00 42.92 42.87 2h3i s ASP 96 CO 0.76 -0.16 1.06 0.41 0.68 0.00 0.00 175.17 177.92 2h3i n THR 97 N -0.66 1.80 -0.08 2.11 -1.04 -1.24 -1.68 114.28 113.51 2h3i n THR 97 Ca -0.04 0.45 -0.07 0.00 -2.04 0.00 0.00 64.05 62.35 2h3i n THR 97 Cb 0.62 -1.41 -0.03 0.00 -1.82 0.00 0.00 70.33 67.68 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 -1.49 0.47 0.31 -2.82 3.00 -1.26 -3.26 118.16 113.10 2h3i n LYS 98 Ca 0.01 0.52 0.18 0.00 -0.00 0.00 0.00 58.31 59.01 2h3i n LYS 98 Cb 0.02 -1.69 1.02 0.00 0.00 0.00 0.00 35.03 34.38 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 -1.00 0.00 0.03 1.64 4.39 -1.88 -1.60 114.58 116.16 2h3i h GLU 99 Ca -0.05 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2h3i h GLU 99 Cb 0.64 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.29 2h3i h GLU 99 CO -0.03 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 177.81 2h3i h ALA 100 N 1.97 -0.04 -0.53 3.43 0.00 -1.49 -2.97 119.26 119.63 2h3i h ALA 100 Ca 0.01 -0.35 0.03 0.00 0.00 0.00 0.00 54.91 54.59 2h3i h ALA 100 Cb 0.05 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 2h3i h ALA 100 CO -0.00 -0.08 0.31 -0.07 0.00 0.00 0.00 179.25 179.41 2h3i h LEU 101 N -0.91 0.50 -0.71 0.00 3.38 -1.44 -2.38 115.31 113.75 2h3i h LEU 101 Ca -0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2h3i h LEU 101 Cb 0.72 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 2h3i h LEU 101 CO 0.01 0.35 0.43 0.44 0.09 0.00 0.00 178.44 179.75 2h3i h ASP 102 N 0.62 0.67 -0.31 -0.43 3.32 -1.43 -0.34 116.42 118.52 2h3i h ASP 102 Ca 0.21 0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.37 2h3i h ASP 102 Cb 0.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 2h3i h ASP 102 CO -0.10 0.45 0.32 0.11 -1.72 0.00 0.00 179.24 178.29 2h3i h LYS 103 N 0.81 0.00 0.00 3.56 1.79 -1.25 0.32 116.57 121.79 2h3i h LYS 103 Ca 0.30 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.58 2h3i h LYS 103 Cb 0.11 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.72 2h3i h LYS 103 CO -0.15 0.00 -1.55 -0.89 -1.08 0.00 0.00 179.45 175.79 2h3i n ILE 104 N -3.85 1.19 0.09 1.86 5.41 -0.26 -3.26 119.36 120.54 2h3i n ILE 104 Ca 0.05 -0.71 -0.12 0.00 1.00 0.00 0.00 62.75 62.97 2h3i n ILE 104 Cb 0.47 -0.71 -0.12 0.00 -0.71 0.00 0.00 39.64 38.57 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 0.00 0.17 0.03 0.38 4.81 0.42 -3.20 114.58 117.19 2h3i h GLU 105 Ca -0.20 -0.29 -0.24 0.00 -0.13 0.00 0.00 59.36 58.50 2h3i h GLU 105 Cb 1.65 0.11 0.00 0.00 0.63 0.00 0.00 28.75 31.14 2h3i h GLU 105 CO 0.05 1.13 -1.02 1.49 -0.73 0.00 0.00 179.01 179.92 2h3i h GLU 106 N 0.05 0.40 -0.05 1.92 4.81 -0.67 -3.16 114.58 117.88 2h3i h GLU 106 Ca -0.08 -0.47 -0.03 0.00 -0.13 0.00 0.00 59.36 58.64 2h3i h GLU 106 Cb 1.87 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 31.39 2h3i h GLU 106 CO 0.17 1.14 -0.13 1.49 -0.73 0.00 0.00 179.01 180.96 2h3i h GLU 107 N 0.20 0.07 -0.11 1.92 4.22 -1.63 -2.31 114.58 116.94 2h3i h GLU 107 Ca -0.10 -0.01 -0.19 0.00 0.08 0.00 0.00 59.36 59.14 2h3i h GLU 107 Cb 1.68 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 2h3i h GLU 107 CO 0.18 0.20 -0.73 0.37 -2.18 0.00 0.00 179.01 176.85 2h3i h GLN 108 N 0.07 0.51 0.00 1.92 -0.00 -1.55 -3.05 115.11 113.01 2h3i h GLN 108 Ca 0.01 -0.41 -0.03 0.00 -0.00 0.00 0.00 58.65 58.22 2h3i h GLN 108 Cb 0.27 0.08 -0.00 0.00 0.00 0.00 0.00 27.48 27.83 2h3i h GLN 108 CO 0.02 1.04 -0.16 -0.91 0.00 0.00 0.00 178.83 178.82 2h3i h ASN 109 N 0.35 0.00 -0.11 -0.69 4.21 -1.39 -1.48 115.58 116.47 2h3i h ASN 109 Ca -0.03 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 57.33 2h3i h ASN 109 Cb 1.31 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.50 2h3i h ASN 109 CO 0.13 0.16 -0.46 0.11 -1.29 0.00 0.00 177.43 176.08 2h3i h LYS 110 N 0.00 0.67 0.00 0.81 1.57 -1.40 -3.01 116.57 115.20 2h3i h LYS 110 Ca -0.00 -0.37 -0.19 0.00 -1.87 0.00 0.00 60.65 58.22 2h3i h LYS 110 Cb 0.34 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2h3i h LYS 110 CO 0.02 0.98 -0.88 1.03 -0.57 0.00 0.00 179.45 180.03 2h3i h SER 111 N 0.53 0.00 -0.42 0.86 0.87 -1.45 -3.25 113.55 110.70 2h3i h SER 111 Ca 0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.56 2h3i h SER 111 Cb 1.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 2h3i h SER 111 CO 0.09 0.88 0.16 0.50 -0.53 0.00 0.00 176.83 177.94 2h3i h LYS 112 N 0.00 0.69 -0.57 2.24 3.64 -1.21 0.17 116.57 121.53 2h3i h LYS 112 Ca -0.01 -0.11 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 2h3i h LYS 112 Cb 1.63 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 33.30 2h3i h LYS 112 CO 0.12 0.59 0.38 -0.22 -2.27 0.00 0.00 179.45 178.05 2h3i h LYS 113 N 0.68 0.38 0.00 1.90 3.64 -1.56 -3.27 116.57 118.34 2h3i h LYS 113 Ca 0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2h3i h LYS 113 Cb 0.18 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2h3i h LYS 113 CO -0.01 0.25 -0.48 1.63 -2.27 0.00 0.00 179.45 178.57 2h3i n LYS 114 N -4.47 0.31 -3.79 1.90 4.01 -0.80 -4.99 118.16 110.33 2h3i n LYS 114 Ca 0.09 0.29 -0.28 0.00 -0.51 0.00 0.00 58.31 57.90 2h3i n LYS 114 Cb 0.36 -1.23 0.04 0.00 -0.51 0.00 0.00 35.03 33.68 2h3i n LYS 114 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2h3i n ALA 115 N -3.43 -1.27 -0.10 7.82 0.00 0.52 -4.90 120.51 119.15 2h3i n ALA 115 Ca -0.07 0.25 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 2h3i n ALA 115 Cb 0.25 -4.72 -0.05 0.00 0.00 0.00 0.00 19.45 14.93 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 -4.73 0.53 -0.25 0.00 -0.06 -1.26 -4.15 117.38 107.46 2h3i n GLN 116 Ca 0.03 0.31 0.01 0.00 -2.00 0.00 0.00 57.00 55.35 2h3i n GLN 116 Cb 0.54 -1.52 0.23 0.00 -4.06 0.00 0.00 30.24 25.42 2h3i n GLN 116 CO 0.00 0.00 0.00 0.37 -0.20 0.00 0.00 177.06 177.23 2h3i h GLN 117 N -1.00 1.04 -0.41 3.69 5.75 -1.96 -1.56 115.11 120.67 2h3i h GLN 117 Ca -0.19 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.29 2h3i h GLN 117 Cb 1.07 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.36 2h3i h GLN 117 CO -0.11 0.69 0.27 0.00 -2.65 0.00 0.00 178.83 177.02 2h3i h ALA 118 N 1.50 1.87 0.00 3.38 0.00 -1.94 -0.74 119.26 123.34 2h3i h ALA 118 Ca 0.31 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2h3i h ALA 118 Cb -0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2h3i h ALA 118 CO -0.08 0.07 -0.03 0.00 0.00 0.00 0.00 179.25 179.22 2h3i h ALA 119 N 1.77 1.81 0.00 0.00 0.00 -1.44 -0.98 119.26 120.42 2h3i h ALA 119 Ca 0.17 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2h3i h ALA 119 Cb 0.16 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2h3i h ALA 119 CO -0.04 0.04 -0.49 0.00 0.00 0.00 0.00 179.25 178.76 2h3i h ALA 120 N 1.97 0.76 -1.51 0.00 0.00 -1.19 -3.31 119.26 115.98 2h3i h ALA 120 Ca -0.00 -0.45 -0.73 0.00 0.00 0.00 0.00 54.91 53.73 2h3i h ALA 120 Cb 0.06 -0.08 -0.32 0.00 0.00 0.00 0.00 17.79 17.45 2h3i h ALA 120 CO 0.00 0.61 0.46 -0.25 0.00 0.00 0.00 179.25 180.08 2h3i n ASP 121 N -3.34 6.42 -4.39 0.00 8.00 -0.37 -4.97 116.55 117.89 2h3i n ASP 121 Ca 0.01 -3.71 -0.44 0.00 0.71 0.00 0.00 54.79 51.35 2h3i n ASP 121 Cb 0.67 -0.94 -0.06 0.00 -0.02 0.00 0.00 41.12 40.77 2h3i n ASP 121 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2h3i s THR 122 N -4.58 5.06 -0.31 -3.53 -4.23 -1.23 -4.97 115.64 101.84 2h3i s THR 122 Ca 0.44 -0.94 0.03 0.00 -1.18 0.00 0.00 61.69 60.04 2h3i s THR 122 Cb 0.27 -4.26 0.16 0.00 1.34 0.00 0.00 72.50 70.01 2h3i s THR 122 CO -0.18 -0.77 0.43 -0.83 -0.54 0.00 0.00 174.62 172.74 2h3i s GLY 123 N 2.91 -0.58 0.42 3.99 0.00 -1.26 -5.15 107.32 107.65 2h3i s GLY 123 Ca 0.08 0.06 0.08 0.00 0.00 0.00 0.00 44.72 44.94 2h3i s GLY 123 CO 0.08 3.09 0.42 -1.31 0.00 0.00 0.00 173.10 175.37 2h3i s ASN 124 N 2.31 5.14 0.00 1.64 0.01 -1.26 -5.05 114.94 117.73 2h3i s ASN 124 Ca 0.11 -0.71 0.19 0.00 -0.71 0.00 0.00 52.86 51.75 2h3i s ASN 124 Cb -0.12 -0.55 0.31 0.00 0.41 0.00 0.00 41.25 41.30 2h3i s ASN 124 CO -0.24 -0.69 1.11 -0.46 -1.51 0.00 0.00 177.10 175.31 2h3i n ASN 125 N -1.62 0.51 -4.16 -1.22 6.94 -1.26 -5.04 115.26 109.41 2h3i n ASN 125 Ca 0.04 -1.98 -0.38 0.00 -0.02 0.00 0.00 54.58 52.25 2h3i n ASN 125 Cb 0.61 -0.16 -0.11 0.00 -2.36 0.00 0.00 39.78 37.76 2h3i n ASN 125 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2h3i s SER 126 N -1.70 5.38 -0.45 0.53 0.01 -1.26 -4.94 113.70 111.27 2h3i s SER 126 Ca 0.24 -1.90 0.03 0.00 1.31 0.00 0.00 55.95 55.64 2h3i s SER 126 Cb 0.28 -1.88 0.23 0.00 0.21 0.00 0.00 66.02 64.86 2h3i s SER 126 CO -0.12 -0.56 0.94 0.00 0.41 0.00 0.00 173.24 173.91 2h3i n GLN 127 N 4.70 0.52 -1.25 12.44 10.64 -1.26 -5.00 117.38 138.16 2h3i n GLN 127 Ca -0.05 -1.49 -0.02 0.00 -1.83 0.00 0.00 57.00 53.60 2h3i n GLN 127 Cb 0.41 -1.05 0.12 0.00 -0.86 0.00 0.00 30.24 28.87 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 2.03 1.88 -4.41 -0.39 0.24 -1.26 -5.04 118.33 111.38 2h3i n VAL 128 Ca 0.10 -3.12 -0.34 0.00 -2.04 0.00 0.00 64.34 58.94 2h3i n VAL 128 Cb 0.63 -0.16 -0.11 0.00 -1.47 0.00 0.00 33.84 32.73 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 -3.18 4.89 -0.32 -1.34 0.15 -1.26 -5.08 113.70 107.56 2h3i s SER 129 Ca 0.40 -0.05 0.03 0.00 0.70 0.00 0.00 55.95 57.02 2h3i s SER 129 Cb 0.38 -1.65 0.09 0.00 -1.71 0.00 0.00 66.02 63.13 2h3i s SER 129 CO -0.06 0.23 0.03 -1.10 1.20 0.00 0.00 173.24 173.55 2h3i s GLN 130 N -0.03 1.44 0.08 5.44 1.11 -1.26 -4.93 119.66 121.51 2h3i s GLN 130 Ca 0.02 -1.64 -0.00 0.00 0.01 0.00 0.00 55.36 53.74 2h3i s GLN 130 Cb -0.13 -2.94 -0.00 0.00 -1.01 0.00 0.00 33.01 28.92 2h3i s GLN 130 CO 0.02 -0.89 -0.01 0.09 0.01 0.00 0.00 175.29 174.52 2h3i n ASN 131 N 4.39 0.93 0.00 5.90 4.13 -1.26 -5.35 115.26 124.00 2h3i n ASN 131 Ca 0.00 0.12 0.16 0.00 1.68 0.00 0.00 54.58 56.54 2h3i n ASN 131 Cb 0.42 -0.29 0.95 0.00 -1.54 0.00 0.00 39.78 39.32 2h3i n ASN 131 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54