#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 3.00 -3.32 4.61 0.00 -1.26 -5.14 120.51 118.40 2h3i n ALA 3 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2h3i n ALA 3 Cb 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.44 2h3i n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2h3i s ARG 4 N -1.39 0.95 0.00 0.00 1.81 -1.26 -5.18 118.95 113.88 2h3i s ARG 4 Ca 0.00 -0.13 0.00 0.00 -1.72 0.00 0.00 55.73 53.88 2h3i s ARG 4 Cb 0.00 0.43 0.00 0.00 -0.45 0.00 0.00 34.95 34.93 2h3i s ARG 4 CO 0.00 -0.32 0.00 0.00 -0.68 0.00 0.00 175.30 174.30 2h3i n ALA 5 N 0.71 0.00 -2.46 2.13 0.00 -1.26 -4.87 120.51 114.76 2h3i n ALA 5 Ca -0.19 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.24 2h3i n ALA 5 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 2h3i n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2h3i n SER 6 N -2.66 -6.68 -0.02 0.00 7.64 -1.26 -5.03 113.62 105.61 2h3i n SER 6 Ca 0.00 0.98 -0.03 0.00 1.01 0.00 0.00 58.87 60.83 2h3i n SER 6 Cb 0.00 -4.39 -0.01 0.00 -1.01 0.00 0.00 64.21 58.80 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 0.37 0.17 -2.41 0.44 0.31 -1.26 -5.04 118.33 110.90 2h3i n VAL 7 Ca 0.02 -0.04 -0.37 0.00 -0.01 0.00 0.00 64.34 63.93 2h3i n VAL 7 Cb 0.07 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 2h3i n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2h3i s LEU 8 N -6.10 4.14 0.00 7.52 1.02 -1.26 -4.87 118.68 119.13 2h3i s LEU 8 Ca -0.04 2.18 -0.02 0.00 0.02 0.00 0.00 54.13 56.27 2h3i s LEU 8 Cb 0.02 -4.13 0.03 0.00 0.02 0.00 0.00 46.19 42.13 2h3i s LEU 8 CO 0.06 -0.62 0.16 -1.20 0.02 0.00 0.00 176.35 174.77 2h3i n SER 9 N -0.07 -0.24 -0.08 2.29 7.64 -1.26 -4.89 113.62 117.01 2h3i n SER 9 Ca 0.05 -0.96 -0.13 0.00 1.01 0.00 0.00 58.87 58.85 2h3i n SER 9 Cb 0.48 -0.13 -0.08 0.00 -1.01 0.00 0.00 64.21 63.47 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 -0.35 0.00 2.00 0.23 0.00 -1.99 -2.94 103.07 100.02 2h3i h GLY 10 Ca -0.05 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2h3i h GLY 10 CO 0.04 0.00 -0.17 -1.33 0.00 0.00 0.00 176.54 175.08 2h3i h GLY 11 N -1.00 0.00 0.86 4.60 0.00 -2.01 -2.94 103.07 102.58 2h3i h GLY 11 Ca -0.12 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.97 2h3i h GLY 11 CO -0.08 0.00 -1.01 0.83 0.00 0.00 0.00 176.54 176.28 2h3i h GLU 12 N 0.00 0.38 -0.69 4.80 3.07 -1.93 -3.19 114.58 117.01 2h3i h GLU 12 Ca -0.00 -0.64 0.13 0.00 -0.50 0.00 0.00 59.36 58.35 2h3i h GLU 12 Cb 0.41 0.24 -0.09 0.00 -0.84 0.00 0.00 28.75 28.47 2h3i h GLU 12 CO 0.02 1.31 0.24 1.25 -1.40 0.00 0.00 179.01 180.43 2h3i h LEU 13 N -0.22 0.19 -0.48 1.33 5.85 -1.34 0.35 115.31 121.00 2h3i h LEU 13 Ca -0.18 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 2h3i h LEU 13 Cb 1.80 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.91 2h3i h LEU 13 CO 0.19 0.08 0.23 -0.78 -0.34 0.00 0.00 178.44 177.82 2h3i h ASP 14 N 0.39 0.63 0.03 1.25 3.58 -1.64 -2.57 116.42 118.08 2h3i h ASP 14 Ca 0.37 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.60 2h3i h ASP 14 Cb 0.54 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.42 2h3i h ASP 14 CO -0.39 0.58 -0.24 0.11 -2.88 0.00 0.00 179.24 176.42 2h3i h LYS 15 N 0.63 0.36 -0.19 0.28 6.56 -1.19 -2.21 116.57 120.81 2h3i h LYS 15 Ca 0.16 -0.13 0.01 0.00 -1.06 0.00 0.00 60.65 59.64 2h3i h LYS 15 Cb 0.13 -0.03 -0.02 0.00 -0.57 0.00 0.00 32.23 31.74 2h3i h LYS 15 CO -0.02 0.59 0.09 2.35 -2.06 0.00 0.00 179.45 180.40 2h3i h TRP 16 N 0.33 0.17 0.00 -1.35 2.91 0.02 -1.52 115.95 116.51 2h3i h TRP 16 Ca 0.05 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2h3i h TRP 16 Cb 0.61 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.21 2h3i h TRP 16 CO 0.01 0.10 0.00 0.39 -1.03 0.00 0.00 178.44 177.91 2h3i n GLU 17 N -5.01 0.14 0.00 2.65 1.02 -1.05 -3.95 120.64 114.44 2h3i n GLU 17 Ca -0.03 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 2h3i n GLU 17 Cb 0.05 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 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 -1.95 0.00 -1.37 3.49 4.81 -0.58 -3.44 118.16 119.12 2h3i n LYS 18 Ca 0.05 0.47 -0.42 0.00 -0.87 0.00 0.00 58.31 57.54 2h3i n LYS 18 Cb 0.32 -1.38 0.00 0.00 0.02 0.00 0.00 35.03 33.99 2h3i n LYS 18 CO 0.00 0.00 0.00 -0.89 1.17 0.00 0.00 177.40 177.68 2h3i n ILE 19 N -1.92 1.17 -1.53 3.15 5.41 -1.17 -4.66 119.36 119.81 2h3i n ILE 19 Ca 0.00 -0.50 -0.09 0.00 1.00 0.00 0.00 62.75 63.16 2h3i n ILE 19 Cb 0.00 -0.22 0.06 0.00 -0.71 0.00 0.00 39.64 38.77 2h3i n ILE 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2h3i n ARG 20 N 1.01 -0.24 -0.08 0.38 1.74 -1.26 -2.37 116.66 115.84 2h3i n ARG 20 Ca 0.12 -0.70 -0.17 0.00 -0.77 0.00 0.00 57.85 56.32 2h3i n ARG 20 Cb 0.39 -0.38 -0.06 0.00 -1.02 0.00 0.00 32.46 31.39 2h3i n ARG 20 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2h3i n LEU 21 N 0.00 1.26 -4.94 0.55 4.77 0.91 -3.73 117.00 115.82 2h3i n LEU 21 Ca 0.05 0.22 -0.19 0.00 -0.03 0.00 0.00 56.01 56.06 2h3i n LEU 21 Cb 0.18 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 2h3i n LEU 21 CO 0.13 0.28 0.05 -0.13 -1.33 0.00 0.00 177.39 176.39 2h3i s ARG 22 N -2.34 2.79 -0.02 3.23 0.52 -1.26 -3.36 118.95 118.51 2h3i s ARG 22 Ca -0.24 -1.28 -0.21 0.00 -0.52 0.00 0.00 55.73 53.48 2h3i s ARG 22 Cb 0.09 -2.61 -0.12 0.00 0.52 0.00 0.00 34.95 32.82 2h3i s ARG 22 CO 0.30 -0.11 0.89 -1.00 0.02 0.00 0.00 175.30 175.40 2h3i h PRO 23 N 0.92 -0.56 -2.01 3.54 0.13 -1.95 -3.36 132.00 128.71 2h3i h PRO 23 Ca -0.42 0.04 -0.72 0.00 -0.87 0.00 0.00 66.00 64.03 2h3i h PRO 23 Cb 1.27 0.13 -0.32 0.00 0.13 0.00 0.00 31.00 32.20 2h3i h PRO 23 CO 0.53 -0.28 0.45 0.41 -0.23 0.00 0.00 178.00 178.87 2h3i n GLY 24 N 0.04 5.80 0.00 1.56 0.00 -1.26 -4.90 105.19 106.43 2h3i n GLY 24 Ca -0.09 -2.61 0.00 0.00 0.00 0.00 0.00 46.02 43.32 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 -0.36 5.63 0.14 -0.02 0.00 -1.26 -5.07 105.19 104.24 2h3i n GLY 25 Ca 0.46 -1.71 0.01 0.00 0.00 0.00 0.00 46.02 44.77 2h3i n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2h3i n LYS 26 N 0.00 0.59 -3.03 1.61 0.00 -1.26 -4.96 118.16 111.10 2h3i n LYS 26 Ca 0.00 -0.96 -0.36 0.00 0.00 0.00 0.00 58.31 56.98 2h3i n LYS 26 Cb 0.00 -0.66 -0.06 0.00 0.00 0.00 0.00 35.03 34.30 2h3i n LYS 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2h3i s LYS 27 N -0.40 4.32 0.53 1.64 2.47 -1.26 -4.98 119.74 122.06 2h3i s LYS 27 Ca 0.03 0.97 0.01 0.00 -1.56 0.00 0.00 55.97 55.42 2h3i s LYS 27 Cb 0.02 -2.85 0.01 0.00 -1.46 0.00 0.00 37.83 33.55 2h3i s LYS 27 CO 0.00 0.36 0.06 -0.65 0.16 0.00 0.00 175.35 175.29 2h3i s GLN 28 N -2.01 2.24 0.28 4.03 1.11 -1.26 -0.06 119.66 123.99 2h3i s GLN 28 Ca 0.45 -2.40 -0.08 0.00 0.01 0.00 0.00 55.36 53.34 2h3i s GLN 28 Cb -0.17 -1.60 -0.06 0.00 -1.01 0.00 0.00 33.01 30.17 2h3i s GLN 28 CO 0.22 -0.46 0.58 0.71 0.01 0.00 0.00 175.29 176.35 2h3i s TYR 29 N -2.89 3.45 0.26 0.91 2.02 -1.00 -4.59 117.35 115.51 2h3i s TYR 29 Ca 0.05 0.81 -0.09 0.00 -0.37 0.00 0.00 57.07 57.47 2h3i s TYR 29 Cb -0.00 -2.22 -0.01 0.00 -0.40 0.00 0.00 41.96 39.33 2h3i s TYR 29 CO 0.03 0.18 0.43 0.21 -1.57 0.00 0.00 175.55 174.83 2h3i s LYS 30 N -3.26 1.59 0.24 -0.62 2.20 -1.26 -4.09 119.74 114.54 2h3i s LYS 30 Ca 0.47 -1.42 -0.09 0.00 -0.36 0.00 0.00 55.97 54.56 2h3i s LYS 30 Cb -0.11 0.44 0.37 0.00 -1.51 0.00 0.00 37.83 37.03 2h3i s LYS 30 CO 0.26 -0.65 1.62 -0.07 -0.36 0.00 0.00 175.35 176.15 2h3i h LEU 31 N 2.27 -0.53 -0.72 5.43 3.38 -1.99 -0.13 115.31 123.02 2h3i h LEU 31 Ca -0.28 0.21 0.18 0.00 0.09 0.00 0.00 57.88 58.08 2h3i h LEU 31 Cb 1.25 0.41 -0.14 0.00 0.09 0.00 0.00 40.66 42.27 2h3i h LEU 31 CO 0.39 -0.22 -0.04 1.17 0.09 0.00 0.00 178.44 179.83 2h3i n LYS 32 N -5.43 -0.06 -0.07 1.13 4.81 -1.26 0.15 118.16 117.44 2h3i n LYS 32 Ca 0.12 1.09 -0.13 0.00 -0.87 0.00 0.00 58.31 58.52 2h3i n LYS 32 Cb 0.43 -1.71 -0.06 0.00 0.02 0.00 0.00 35.03 33.72 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 0.62 -0.75 5.64 3.86 -1.43 -1.23 115.15 121.86 2h3i h HIS 33 Ca 0.41 -0.19 0.16 0.00 -1.16 0.00 0.00 60.37 59.59 2h3i h HIS 33 Cb 0.80 -0.13 -0.05 0.00 1.06 0.00 0.00 27.41 29.10 2h3i h HIS 33 CO -0.42 0.88 0.51 0.82 0.86 0.00 0.00 177.93 180.58 2h3i h ILE 34 N 0.18 0.76 0.07 2.45 2.04 0.15 -1.27 117.51 121.89 2h3i h ILE 34 Ca 0.03 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.66 2h3i h ILE 34 Cb 0.78 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2h3i h ILE 34 CO 0.06 0.06 -0.52 0.58 0.00 0.00 0.00 178.15 178.32 2h3i h VAL 35 N 0.33 1.58 -0.08 1.67 2.07 -1.11 -1.92 116.25 118.80 2h3i h VAL 35 Ca 0.37 -2.43 0.02 0.00 0.82 0.00 0.00 66.70 65.48 2h3i h VAL 35 Cb 0.96 3.21 -0.00 0.00 -1.52 0.00 0.00 31.29 33.94 2h3i h VAL 35 CO -0.10 0.65 0.23 -0.25 0.02 0.00 0.00 177.57 178.11 2h3i h TRP 36 N -0.67 0.00 0.00 1.57 7.01 -0.53 0.14 115.95 123.47 2h3i h TRP 36 Ca -0.10 0.00 -0.26 0.00 2.11 0.00 0.00 58.89 60.64 2h3i h TRP 36 Cb 1.35 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 28.38 2h3i h TRP 36 CO 0.22 0.00 -1.55 0.00 -2.79 0.00 0.00 178.44 174.32 2h3i n ALA 37 N -2.08 0.88 0.00 2.65 0.00 -0.54 -4.06 120.51 117.36 2h3i n ALA 37 Ca -0.01 -0.71 0.11 0.00 0.00 0.00 0.00 53.44 52.83 2h3i n ALA 37 Cb 0.31 -0.21 0.53 0.00 0.00 0.00 0.00 19.45 20.08 2h3i n ALA 37 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2h3i h SER 38 N -1.00 0.28 0.32 0.00 0.02 -0.95 0.32 113.55 112.54 2h3i h SER 38 Ca -0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 2h3i h SER 38 Cb 1.27 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2h3i h SER 38 CO -0.23 0.18 0.00 -1.14 -1.14 0.00 0.00 176.83 174.50 2h3i n ARG 39 N -4.47 0.52 -0.10 3.45 0.00 0.46 -3.27 116.66 113.24 2h3i n ARG 39 Ca 0.06 0.03 -0.19 0.00 -0.00 0.00 0.00 57.85 57.75 2h3i n ARG 39 Cb 0.29 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.13 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 -1.19 0.67 -0.27 -0.14 4.07 0.11 -4.42 120.64 119.46 2h3i n GLU 40 Ca 0.15 0.18 0.03 0.00 -0.06 0.00 0.00 57.16 57.46 2h3i n GLU 40 Cb 0.17 -1.56 0.17 0.00 -0.06 0.00 0.00 31.44 30.16 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 0.55 -1.37 4.31 3.38 -1.44 -0.14 115.31 120.58 2h3i h LEU 41 Ca -0.55 0.07 0.20 0.00 0.09 0.00 0.00 57.88 57.69 2h3i h LEU 41 Cb 1.91 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 42.56 2h3i h LEU 41 CO -0.07 0.29 0.61 -0.33 0.09 0.00 0.00 178.44 179.04 2h3i h GLU 42 N 0.67 0.49 0.00 1.13 5.08 -1.61 0.43 114.58 120.77 2h3i h GLU 42 Ca 0.40 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.67 2h3i h GLU 42 Cb 0.44 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2h3i h GLU 42 CO -0.29 0.32 -0.43 0.00 -1.00 0.00 0.00 179.01 177.62 2h3i h ARG 43 N 0.51 0.00 -0.88 2.33 2.47 -1.27 -3.23 114.38 114.30 2h3i h ARG 43 Ca 0.51 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 59.09 2h3i h ARG 43 Cb 1.12 0.00 -0.08 0.00 -1.65 0.00 0.00 29.97 29.36 2h3i h ARG 43 CO -0.24 0.23 0.18 1.19 0.56 0.00 0.00 179.97 181.89 2h3i n PHE 44 N -3.09 1.43 -1.52 3.04 3.72 0.14 -4.85 117.46 116.34 2h3i n PHE 44 Ca 0.02 -0.81 -0.15 0.00 -0.05 0.00 0.00 57.45 56.46 2h3i n PHE 44 Cb 0.64 -0.48 -0.06 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.02 -0.27 -3.04 4.37 0.00 -1.02 -4.93 120.51 115.60 2h3i n ALA 45 Ca 0.24 0.23 -0.33 0.00 0.00 0.00 0.00 53.44 53.58 2h3i n ALA 45 Cb 0.96 -1.56 -0.14 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.31 3.09 0.24 0.00 1.01 -0.22 -5.03 120.40 117.19 2h3i s VAL 46 Ca 0.00 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.03 2h3i s VAL 46 Cb 0.00 -2.29 -0.10 0.00 0.00 0.00 0.00 36.38 33.99 2h3i s VAL 46 CO 0.00 0.53 1.39 0.20 0.00 0.00 0.00 175.10 177.22 2h3i s ASN 47 N 0.29 6.73 0.00 3.32 -0.87 -1.26 -2.93 114.94 120.22 2h3i s ASN 47 Ca -0.10 2.59 0.15 0.00 -1.57 0.00 0.00 52.86 53.94 2h3i s ASN 47 Cb -0.16 -2.62 0.83 0.00 -0.02 0.00 0.00 41.25 39.29 2h3i s ASN 47 CO 0.05 -0.64 1.38 -0.81 -2.57 0.00 0.00 177.10 174.51 2h3i n PRO 48 N 2.33 0.34 0.00 -0.60 -0.04 -1.26 -2.52 135.00 133.26 2h3i n PRO 48 Ca 0.06 0.08 0.14 0.00 -0.04 0.00 0.00 63.50 63.74 2h3i n PRO 48 Cb 0.41 -1.50 0.68 0.00 -0.04 0.00 0.00 33.50 33.05 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 -1.17 1.36 0.55 0.00 -1.26 -3.42 105.19 101.22 2h3i n GLY 49 Ca 0.09 -0.19 0.02 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.18 3.92 -0.00 0.99 4.77 -1.05 -3.72 117.00 120.73 2h3i n LEU 50 Ca 0.14 -2.00 0.06 0.00 -0.03 0.00 0.00 56.01 54.18 2h3i n LEU 50 Cb 0.26 -0.62 -0.09 0.00 -2.33 0.00 0.00 43.42 40.65 2h3i n LEU 50 CO 0.24 0.51 -0.42 0.18 -1.33 0.00 0.00 177.39 176.56 2h3i n LEU 51 N 0.28 0.21 0.10 2.23 4.77 -1.22 -2.55 117.00 120.81 2h3i n LEU 51 Ca 0.18 -0.18 0.01 0.00 -0.03 0.00 0.00 56.01 55.99 2h3i n LEU 51 Cb 0.84 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.91 2h3i n LEU 51 CO 0.21 0.05 0.18 1.05 -1.33 0.00 0.00 177.39 177.55 2h3i h GLU 52 N 0.00 0.00 -5.31 3.23 4.11 -1.81 -3.45 114.58 111.35 2h3i h GLU 52 Ca 0.00 0.00 -0.64 0.00 0.07 0.00 0.00 59.36 58.79 2h3i h GLU 52 Cb 0.46 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.49 2h3i h GLU 52 CO 0.00 0.45 -0.68 0.95 0.07 0.00 0.00 179.01 179.80 2h3i s THR 53 N -2.94 3.81 0.55 -1.06 -4.23 -1.26 -4.97 115.64 105.54 2h3i s THR 53 Ca 0.01 -0.39 0.27 0.00 -1.18 0.00 0.00 61.69 60.41 2h3i s THR 53 Cb 0.08 -2.66 0.40 0.00 1.34 0.00 0.00 72.50 71.66 2h3i s THR 53 CO 0.77 0.50 1.97 0.77 -0.54 0.00 0.00 174.62 178.09 2h3i h SER 54 N 6.68 0.00 0.11 3.99 4.64 -1.89 0.21 113.55 127.29 2h3i h SER 54 Ca -0.31 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.92 2h3i h SER 54 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2h3i h SER 54 CO 0.62 0.00 -0.32 -0.33 -0.87 0.00 0.00 176.83 175.94 2h3i h GLU 55 N 0.00 0.31 -0.07 4.77 3.07 -1.94 -3.07 114.58 117.65 2h3i h GLU 55 Ca 0.25 -0.12 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 2h3i h GLU 55 Cb 1.08 -0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2h3i h GLU 55 CO -0.00 0.60 0.04 0.78 -1.40 0.00 0.00 179.01 179.03 2h3i h GLY 56 N 1.08 0.10 0.78 -3.84 0.00 -0.72 -2.98 103.07 97.49 2h3i h GLY 56 Ca 0.04 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.36 2h3i h GLY 56 CO 0.05 0.04 0.14 0.00 0.00 0.00 0.00 176.54 176.77 2h3i h ARG 58 N 0.29 0.10 0.11 0.00 2.43 -1.43 0.47 114.38 116.35 2h3i h ARG 58 Ca 0.14 -0.01 -0.35 0.00 -0.81 0.00 0.00 59.98 58.95 2h3i h ARG 58 Cb 0.09 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2h3i h ARG 58 CO -0.12 0.07 -1.95 0.94 -1.51 0.00 0.00 179.97 177.40 2h3i n GLN 59 N -4.48 0.74 0.24 0.20 7.27 -0.67 -3.49 117.38 117.20 2h3i n GLN 59 Ca 0.35 0.27 0.08 0.00 0.07 0.00 0.00 57.00 57.76 2h3i n GLN 59 Cb 1.42 -1.73 0.60 0.00 2.41 0.00 0.00 30.24 32.94 2h3i n GLN 59 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2h3i h ILE 60 N 0.06 0.99 0.00 1.69 2.04 0.12 -1.40 117.51 121.02 2h3i h ILE 60 Ca -0.40 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 2h3i h ILE 60 Cb 2.04 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 39.32 2h3i h ILE 60 CO 0.09 0.11 -0.48 -0.07 0.00 0.00 0.00 178.15 177.80 2h3i h LEU 61 N 0.00 0.00 -0.84 1.44 3.38 -0.43 -3.27 115.31 115.59 2h3i h LEU 61 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2h3i h LEU 61 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2h3i h LEU 61 CO 0.01 0.19 -0.56 1.23 0.09 0.00 0.00 178.44 179.41 2h3i h GLY 62 N 3.84 0.00 0.16 0.83 0.00 -1.29 0.41 103.07 107.01 2h3i h GLY 62 Ca -0.02 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 2h3i h GLY 62 CO 0.02 0.00 -0.01 1.46 0.00 0.00 0.00 176.54 178.01 2h3i h GLN 63 N 0.00 -0.03 0.00 4.80 4.20 -1.59 -3.30 115.11 119.18 2h3i h GLN 63 Ca -0.01 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2h3i h GLN 63 Cb 1.02 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 2h3i h GLN 63 CO 0.07 0.69 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.69 2h3i h LEU 64 N -0.88 0.00 0.01 1.46 3.38 -1.62 -3.29 115.31 114.37 2h3i h LEU 64 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2h3i h LEU 64 Cb 0.73 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 2h3i h LEU 64 CO 0.01 0.16 -0.39 -0.61 0.09 0.00 0.00 178.44 177.69 2h3i h GLN 65 N 0.00 -0.48 0.00 1.13 4.15 -0.98 0.60 115.11 119.53 2h3i h GLN 65 Ca -0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2h3i h GLN 65 Cb 0.71 0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.51 2h3i h GLN 65 CO 0.02 -0.32 0.00 -0.35 -1.93 0.00 0.00 178.83 176.25 2h3i n PRO 66 N -4.65 0.45 -0.00 -2.39 -0.04 -1.24 -1.91 135.00 125.23 2h3i n PRO 66 Ca -0.05 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.49 2h3i n PRO 66 Cb 0.29 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 2h3i n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2h3i n SER 67 N -1.04 1.15 0.30 3.54 2.88 0.07 -4.44 113.62 116.06 2h3i n SER 67 Ca 0.11 -0.50 0.14 0.00 -1.33 0.00 0.00 58.87 57.30 2h3i n SER 67 Cb 0.06 1.21 0.77 0.00 -0.75 0.00 0.00 64.21 65.51 2h3i n SER 67 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2h3i h LEU 68 N 0.00 0.00 0.00 2.46 3.38 0.81 0.77 115.31 122.73 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 0.40 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 2h3i h LEU 68 CO 0.00 0.00 -2.49 1.67 0.09 0.00 0.00 178.44 177.71 2h3i n GLN 69 N -2.73 0.63 0.20 1.13 7.27 -1.26 -4.37 117.38 118.26 2h3i n GLN 69 Ca -0.02 0.17 0.14 0.00 0.07 0.00 0.00 57.00 57.37 2h3i n GLN 69 Cb 0.32 -1.51 0.47 0.00 2.41 0.00 0.00 30.24 31.93 2h3i n GLN 69 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 2h3i h THR 70 N -0.21 0.00 -1.81 1.69 1.35 -1.48 -3.45 112.91 109.00 2h3i h THR 70 Ca -0.60 -0.56 -0.44 0.00 -0.55 0.00 0.00 66.41 64.25 2h3i h THR 70 Cb 1.84 1.50 0.04 0.00 -1.73 0.00 0.00 68.15 69.80 2h3i h THR 70 CO -0.16 0.00 -0.12 -0.83 -0.25 0.00 0.00 175.52 174.16 2h3i s GLY 71 N -3.95 1.85 0.00 5.82 0.00 0.26 -5.09 107.32 106.21 2h3i s GLY 71 Ca 0.05 -1.62 0.00 0.00 0.00 0.00 0.00 44.72 43.15 2h3i s GLY 71 CO 0.55 -1.32 0.00 -1.14 0.00 0.00 0.00 173.10 171.19 2h3i n SER 72 N -2.19 0.00 0.28 1.64 3.41 -1.26 -4.88 113.62 110.61 2h3i n SER 72 Ca 0.10 -0.14 0.19 0.00 -0.26 0.00 0.00 58.87 58.76 2h3i n SER 72 Cb 0.60 0.00 0.94 0.00 -0.26 0.00 0.00 64.21 65.49 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 -0.18 4.33 3.07 -1.98 -1.78 114.58 118.04 2h3i h GLU 73 Ca 0.00 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 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 -0.39 0.93 -1.40 0.00 0.00 179.01 178.15 2h3i h GLU 74 N 0.00 0.40 0.00 2.33 5.08 -2.00 -2.11 114.58 118.27 2h3i h GLU 74 Ca 0.00 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.13 2h3i h GLU 74 Cb 0.14 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2h3i h GLU 74 CO 0.00 0.73 -0.20 1.25 -1.00 0.00 0.00 179.01 179.79 2h3i h LEU 75 N 0.33 0.00 0.00 1.33 6.46 -1.66 -3.23 115.31 118.54 2h3i h LEU 75 Ca 0.03 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.57 2h3i h LEU 75 Cb 0.84 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.74 2h3i h LEU 75 CO 0.07 0.18 -1.05 -0.09 -0.62 0.00 0.00 178.44 176.93 2h3i h ARG 76 N 0.00 0.01 -0.16 1.25 2.43 -1.41 -3.13 114.38 113.37 2h3i h ARG 76 Ca -0.00 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 2h3i h ARG 76 Cb 1.14 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2h3i h ARG 76 CO 0.02 0.97 -0.36 0.77 -1.51 0.00 0.00 179.97 179.87 2h3i h SER 77 N 0.00 0.35 0.28 -3.80 0.02 -1.41 -3.00 113.55 105.99 2h3i h SER 77 Ca -0.03 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 2h3i h SER 77 Cb 1.79 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2h3i h SER 77 CO 0.13 0.68 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.30 2h3i h LEU 78 N 0.29 -0.32 -0.94 5.07 -0.00 -1.61 -3.19 115.31 114.61 2h3i h LEU 78 Ca 0.03 -0.19 0.28 0.00 -0.00 0.00 0.00 57.88 58.01 2h3i h LEU 78 Cb 0.77 0.08 -0.15 0.00 -0.00 0.00 0.00 40.66 41.36 2h3i h LEU 78 CO 0.06 0.16 0.32 0.22 -0.00 0.00 0.00 178.44 179.20 2h3i h TYR 79 N -0.96 0.48 0.09 1.13 3.20 -1.58 0.75 116.97 120.07 2h3i h TYR 79 Ca -0.04 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 2h3i h TYR 79 Cb 0.48 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2h3i h TYR 79 CO 0.04 -0.26 -0.09 -0.91 -1.64 0.00 0.00 178.16 175.30 2h3i h ASN 80 N 0.19 -0.26 0.06 -2.11 4.21 -1.57 -0.13 115.58 115.97 2h3i h ASN 80 Ca 0.63 0.02 0.03 0.00 1.21 0.00 0.00 56.30 58.19 2h3i h ASN 80 Cb 1.38 0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 38.61 2h3i h ASN 80 CO -0.69 -0.12 -0.39 0.74 -1.29 0.00 0.00 177.43 175.68 2h3i h THR 81 N -0.18 0.20 -0.92 2.81 2.02 -1.33 -1.71 112.91 113.79 2h3i h THR 81 Ca -0.01 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.44 2h3i h THR 81 Cb 0.16 0.20 -0.15 0.00 -1.74 0.00 0.00 68.15 66.62 2h3i h THR 81 CO -0.02 0.00 0.31 0.40 0.37 0.00 0.00 175.52 176.58 2h3i h ILE 82 N -0.59 0.27 -0.40 3.11 2.04 -0.88 0.26 117.51 121.32 2h3i h ILE 82 Ca 0.04 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.88 2h3i h ILE 82 Cb 0.64 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.71 2h3i h ILE 82 CO -0.27 0.04 0.11 0.00 0.00 0.00 0.00 178.15 178.03 2h3i h ALA 83 N 1.83 0.46 -0.64 1.87 0.00 -0.07 -2.12 119.26 120.59 2h3i h ALA 83 Ca 0.61 0.07 0.12 0.00 0.00 0.00 0.00 54.91 55.71 2h3i h ALA 83 Cb 1.31 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 19.08 2h3i h ALA 83 CO -0.68 -0.29 0.18 0.28 0.00 0.00 0.00 179.25 178.74 2h3i h VAL 84 N 0.25 0.65 0.29 0.00 2.07 -0.24 -2.04 116.25 117.23 2h3i h VAL 84 Ca 0.19 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2h3i h VAL 84 Cb 0.21 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2h3i h VAL 84 CO -0.23 0.06 -0.26 0.25 0.02 0.00 0.00 177.57 177.41 2h3i h LEU 85 N 0.31 -0.68 -0.50 2.57 5.85 -1.16 0.20 115.31 121.91 2h3i h LEU 85 Ca 0.34 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.21 2h3i h LEU 85 Cb 0.50 0.23 -0.10 0.00 0.37 0.00 0.00 40.66 41.65 2h3i h LEU 85 CO -0.40 -0.38 -0.29 0.22 -0.34 0.00 0.00 178.44 177.25 2h3i h TYR 86 N -0.56 -0.79 -0.54 1.25 3.20 -0.97 0.11 116.97 118.67 2h3i h TYR 86 Ca -0.01 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.86 2h3i h TYR 86 Cb 0.51 0.42 -0.02 0.00 1.54 0.00 0.00 36.73 39.17 2h3i h TYR 86 CO -0.15 -0.36 0.12 0.00 -1.64 0.00 0.00 178.16 176.13 2h3i h VAL 88 N 0.80 1.16 0.08 0.00 2.07 0.18 0.43 116.25 120.97 2h3i h VAL 88 Ca 0.17 -0.38 -0.25 0.00 0.82 0.00 0.00 66.70 67.07 2h3i h VAL 88 Cb 0.31 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2h3i h VAL 88 CO 0.00 0.17 -1.15 0.45 0.02 0.00 0.00 177.57 177.07 2h3i h HIS 89 N 0.74 0.33 -0.09 1.57 -0.00 -0.50 -3.20 115.15 114.01 2h3i h HIS 89 Ca 0.19 -0.24 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 2h3i h HIS 89 Cb -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.39 2h3i h HIS 89 CO 0.00 1.18 0.00 1.04 -0.00 0.00 0.00 177.93 180.15 2h3i n GLN 90 N -3.48 1.37 -3.48 2.45 1.13 -0.72 -4.85 117.38 109.80 2h3i n GLN 90 Ca -0.06 -0.39 -0.21 0.00 -1.94 0.00 0.00 57.00 54.40 2h3i n GLN 90 Cb 0.99 -1.33 0.07 0.00 0.11 0.00 0.00 30.24 30.07 2h3i n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2h3i n ARG 91 N -0.07 -7.16 -3.98 -1.09 0.63 -1.04 -4.99 116.66 98.97 2h3i n ARG 91 Ca 0.04 0.74 -0.35 0.00 -0.92 0.00 0.00 57.85 57.36 2h3i n ARG 91 Cb 0.23 -5.53 -0.13 0.00 0.45 0.00 0.00 32.46 27.47 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 -3.29 3.86 -0.26 5.15 1.01 0.15 -5.03 121.20 122.80 2h3i s ILE 92 Ca 0.53 -0.34 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 2h3i s ILE 92 Cb -0.23 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.45 2h3i s ILE 92 CO 0.65 0.41 0.10 -0.62 0.00 0.00 0.00 174.94 175.48 2h3i s ASP 93 N 1.24 5.33 0.52 3.58 2.15 -1.26 -4.06 116.67 124.16 2h3i s ASP 93 Ca 0.03 -0.20 0.08 0.00 0.43 0.00 0.00 52.55 52.89 2h3i s ASP 93 Cb -0.15 -1.97 0.04 0.00 -0.30 0.00 0.00 42.92 40.55 2h3i s ASP 93 CO 0.01 -0.05 0.57 0.68 -0.17 0.00 0.00 175.17 176.20 2h3i s VAL 94 N 1.64 2.20 -1.07 1.11 -7.23 -1.26 -5.03 120.40 110.75 2h3i s VAL 94 Ca 0.06 -1.22 0.23 0.00 -1.81 0.00 0.00 61.98 59.24 2h3i s VAL 94 Cb -0.15 -2.42 -0.13 0.00 0.56 0.00 0.00 36.38 34.24 2h3i s VAL 94 CO 0.05 0.00 1.10 0.29 -0.31 0.00 0.00 175.10 176.23 2h3i n LYS 95 N -1.91 0.09 0.00 4.82 4.76 -1.26 -4.76 118.16 119.89 2h3i n LYS 95 Ca 0.07 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2h3i n LYS 95 Cb 0.62 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 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 -1.40 0.00 0.00 4.39 5.68 -1.26 -4.52 116.55 119.44 2h3i n ASP 96 Ca 0.05 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.46 2h3i n ASP 96 Cb 0.34 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 40.89 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 -0.07 0.24 0.09 2.12 -1.04 -1.21 -3.10 114.28 111.29 2h3i n THR 97 Ca 0.00 0.06 -0.11 0.00 -2.04 0.00 0.00 64.05 61.96 2h3i n THR 97 Cb 0.00 -0.63 -0.07 0.00 -1.82 0.00 0.00 70.33 67.82 2h3i n THR 97 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2h3i h LYS 98 N 0.00 0.20 0.00 -2.82 3.64 -1.88 -3.11 116.57 112.60 2h3i h LYS 98 Ca 0.00 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2h3i h LYS 98 Cb 0.39 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2h3i h LYS 98 CO 0.00 1.04 0.00 -1.91 -2.27 0.00 0.00 179.45 176.31 2h3i n GLU 99 N -3.58 0.00 -0.47 1.90 2.13 -1.18 -1.77 120.64 117.67 2h3i n GLU 99 Ca -0.05 0.17 0.39 0.00 0.66 0.00 0.00 57.16 58.33 2h3i n GLU 99 Cb 0.89 -0.79 0.65 0.00 0.27 0.00 0.00 31.44 32.46 2h3i n GLU 99 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2h3i n ALA 100 N -1.00 1.34 0.18 4.31 0.00 -1.24 0.04 120.51 124.15 2h3i n ALA 100 Ca 0.00 0.80 -0.10 0.00 0.00 0.00 0.00 53.44 54.14 2h3i n ALA 100 Cb 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 2h3i n ALA 100 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2h3i h LEU 101 N 0.00 -0.45 -1.30 0.00 7.12 -1.65 -2.65 115.31 116.38 2h3i h LEU 101 Ca 0.84 -0.08 0.07 0.00 0.13 0.00 0.00 57.88 58.84 2h3i h LEU 101 Cb 2.78 0.12 -0.05 0.00 -0.53 0.00 0.00 40.66 42.97 2h3i h LEU 101 CO -0.40 -0.01 0.52 -0.78 -0.13 0.00 0.00 178.44 177.64 2h3i h ASP 102 N -1.06 0.74 0.52 1.25 3.58 0.37 -1.01 116.42 120.80 2h3i h ASP 102 Ca -0.05 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.38 2h3i h ASP 102 Cb 0.50 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 2h3i h ASP 102 CO 0.09 0.47 -0.30 0.11 -2.88 0.00 0.00 179.24 176.73 2h3i h LYS 103 N 0.83 -0.75 0.00 0.28 1.79 -0.43 0.23 116.57 118.53 2h3i h LYS 103 Ca 0.34 0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.84 2h3i h LYS 103 Cb 0.27 0.17 -0.00 0.00 -1.58 0.00 0.00 32.23 31.09 2h3i h LYS 103 CO -0.12 -0.50 -0.10 0.82 -1.08 0.00 0.00 179.45 178.46 2h3i h ILE 104 N -0.78 0.80 0.20 1.86 2.04 -1.11 0.25 117.51 120.78 2h3i h ILE 104 Ca -0.06 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2h3i h ILE 104 Cb 0.63 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 2h3i h ILE 104 CO 0.08 0.10 -0.10 -0.08 0.00 0.00 0.00 178.15 178.15 2h3i h GLU 105 N 0.00 -0.26 -0.21 2.37 4.81 -0.65 -2.99 114.58 117.66 2h3i h GLU 105 Ca -0.00 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2h3i h GLU 105 Cb 0.22 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2h3i h GLU 105 CO 0.01 0.10 0.00 0.93 -0.73 0.00 0.00 179.01 179.33 2h3i h GLU 106 N -0.94 0.36 -0.91 1.92 5.08 -0.42 0.25 114.58 119.92 2h3i h GLU 106 Ca -0.03 -0.11 0.23 0.00 -1.00 0.00 0.00 59.36 58.45 2h3i h GLU 106 Cb 0.48 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.63 2h3i h GLU 106 CO 0.04 0.56 0.62 0.93 -1.00 0.00 0.00 179.01 180.16 2h3i h GLU 107 N 0.13 0.25 0.00 2.33 5.08 -0.64 0.22 114.58 121.95 2h3i h GLU 107 Ca 0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2h3i h GLU 107 Cb 0.39 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2h3i h GLU 107 CO 0.01 0.16 -1.48 1.04 -1.00 0.00 0.00 179.01 177.74 2h3i n GLN 108 N -4.44 0.63 -0.02 2.33 6.02 -1.07 -4.02 117.38 116.81 2h3i n GLN 108 Ca 0.20 -0.02 -0.11 0.00 -0.01 0.00 0.00 57.00 57.06 2h3i n GLN 108 Cb 0.81 -1.69 -0.06 0.00 1.02 0.00 0.00 30.24 30.32 2h3i n GLN 108 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 2h3i h ASN 109 N 0.00 0.15 0.47 1.08 -0.73 0.28 -2.51 115.58 114.32 2h3i h ASN 109 Ca -0.02 -0.16 -0.05 0.00 1.87 0.00 0.00 56.30 57.94 2h3i h ASN 109 Cb 1.05 -0.04 -0.01 0.00 0.27 0.00 0.00 38.32 39.59 2h3i h ASN 109 CO 0.00 0.27 -0.24 0.50 -0.37 0.00 0.00 177.43 177.60 2h3i h LYS 110 N 0.02 0.00 -1.01 6.67 3.64 -1.59 -2.55 116.57 121.75 2h3i h LYS 110 Ca 0.04 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.88 2h3i h LYS 110 Cb 0.17 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 31.70 2h3i h LYS 110 CO -0.00 0.24 0.68 0.43 -2.27 0.00 0.00 179.45 178.53 2h3i n SER 111 N -3.79 4.69 0.28 4.20 7.64 -1.00 -4.53 113.62 121.11 2h3i n SER 111 Ca -0.01 -3.58 0.13 0.00 1.01 0.00 0.00 58.87 56.42 2h3i n SER 111 Cb 0.34 -0.86 0.81 0.00 -1.01 0.00 0.00 64.21 63.49 2h3i n SER 111 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 2h3i h LYS 112 N 1.20 0.00 0.00 1.43 2.10 -1.04 -1.18 116.57 119.08 2h3i h LYS 112 Ca 0.60 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 59.06 2h3i h LYS 112 Cb 2.29 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.59 2h3i h LYS 112 CO 1.17 0.03 -1.35 0.87 -2.00 0.00 0.00 179.45 178.17 2h3i h LYS 113 N 0.00 0.00 -0.89 0.07 1.79 -1.87 -3.34 116.57 112.34 2h3i h LYS 113 Ca -0.00 0.00 -0.43 0.00 -2.18 0.00 0.00 60.65 58.04 2h3i h LYS 113 Cb 0.07 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 30.46 2h3i h LYS 113 CO 0.00 0.41 0.52 1.63 -1.08 0.00 0.00 179.45 180.93 2h3i n LYS 114 N -2.99 2.47 -1.06 3.15 4.01 -0.54 -4.19 118.16 119.01 2h3i n LYS 114 Ca -0.09 -3.04 0.03 0.00 -0.51 0.00 0.00 58.31 54.69 2h3i n LYS 114 Cb 0.88 -2.15 0.02 0.00 -0.51 0.00 0.00 35.03 33.27 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 -0.97 2.24 -2.22 7.82 0.00 -0.67 -4.86 120.51 121.85 2h3i n ALA 115 Ca 0.54 -1.84 -0.21 0.00 0.00 0.00 0.00 53.44 51.93 2h3i n ALA 115 Cb 1.57 -0.63 0.02 0.00 0.00 0.00 0.00 19.45 20.41 2h3i n ALA 115 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2h3i n GLN 116 N 0.23 3.29 -0.83 0.00 -0.06 -1.26 -4.74 117.38 114.01 2h3i n GLN 116 Ca 0.04 -4.13 -0.05 0.00 -2.00 0.00 0.00 57.00 50.86 2h3i n GLN 116 Cb 0.95 -2.17 0.22 0.00 -4.06 0.00 0.00 30.24 25.19 2h3i n GLN 116 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2h3i n GLN 117 N -0.63 2.33 0.16 3.69 6.02 -1.26 -4.37 117.38 123.32 2h3i n GLN 117 Ca 0.38 -3.08 0.00 0.00 -0.01 0.00 0.00 57.00 54.29 2h3i n GLN 117 Cb 0.89 -1.93 0.00 0.00 1.02 0.00 0.00 30.24 30.22 2h3i n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2h3i n ALA 118 N -0.90 2.30 0.25 -1.58 0.00 -1.26 -4.79 120.51 114.52 2h3i n ALA 118 Ca 0.36 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.95 2h3i n ALA 118 Cb 1.15 0.00 0.85 0.00 0.00 0.00 0.00 19.45 21.45 2h3i n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3i h ALA 119 N 0.00 1.72 0.05 0.00 0.00 -1.85 -0.02 119.26 119.16 2h3i h ALA 119 Ca 0.00 -0.00 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 2h3i h ALA 119 Cb 0.00 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.82 2h3i h ALA 119 CO 0.00 -0.14 -1.10 0.00 0.00 0.00 0.00 179.25 178.01 2h3i h ALA 120 N 1.89 0.13 -0.06 0.00 0.00 -1.90 -3.34 119.26 116.00 2h3i h ALA 120 Ca 0.04 -0.74 -0.07 0.00 0.00 0.00 0.00 54.91 54.15 2h3i h ALA 120 Cb 0.23 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2h3i h ALA 120 CO -0.00 0.73 -0.24 -0.44 0.00 0.00 0.00 179.25 179.30 2h3i h ASP 121 N 0.30 0.31 -2.82 0.00 5.19 -1.56 -3.38 116.42 114.47 2h3i h ASP 121 Ca -0.14 -0.64 -0.75 0.00 -0.62 0.00 0.00 57.03 54.88 2h3i h ASP 121 Cb 1.76 -0.09 -0.21 0.00 0.18 0.00 0.00 39.33 40.97 2h3i h ASP 121 CO 0.21 0.91 0.80 0.42 -3.12 0.00 0.00 179.24 178.45 2h3i s THR 122 N -3.65 5.25 -0.91 0.35 -4.23 -0.13 -4.98 115.64 107.35 2h3i s THR 122 Ca -0.15 -2.47 -0.24 0.00 -1.18 0.00 0.00 61.69 57.65 2h3i s THR 122 Cb 0.03 -4.73 -0.02 0.00 1.34 0.00 0.00 72.50 69.11 2h3i s THR 122 CO 0.75 -1.39 1.83 -0.83 -0.54 0.00 0.00 174.62 174.43 2h3i s GLY 123 N 2.63 0.42 -0.85 3.99 0.00 -1.26 -4.75 107.32 107.50 2h3i s GLY 123 Ca 0.33 -1.61 -0.20 0.00 0.00 0.00 0.00 44.72 43.24 2h3i s GLY 123 CO -0.06 3.30 1.07 0.21 0.00 0.00 0.00 173.10 177.63 2h3i s ASN 124 N 7.32 6.49 0.11 1.64 2.47 -1.26 -5.01 114.94 126.70 2h3i s ASN 124 Ca 0.64 -1.74 -0.31 0.00 0.42 0.00 0.00 52.86 51.87 2h3i s ASN 124 Cb -0.06 -2.40 -0.09 0.00 -1.45 0.00 0.00 41.25 37.25 2h3i s ASN 124 CO -0.01 -1.17 1.61 0.20 -3.72 0.00 0.00 177.10 174.01 2h3i s ASN 125 N 3.68 6.60 0.20 -4.21 0.01 -1.26 -4.99 114.94 114.97 2h3i s ASN 125 Ca 0.29 2.53 -0.01 0.00 -0.71 0.00 0.00 52.86 54.97 2h3i s ASN 125 Cb -0.09 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 38.96 2h3i s ASN 125 CO -0.04 -0.86 0.14 -0.44 -1.51 0.00 0.00 177.10 174.39 2h3i s SER 126 N 1.88 0.20 -0.04 -1.22 0.01 -1.26 -5.17 113.70 108.11 2h3i s SER 126 Ca 0.72 -1.40 0.02 0.00 1.31 0.00 0.00 55.95 56.60 2h3i s SER 126 Cb -0.41 0.39 0.02 0.00 0.21 0.00 0.00 66.02 66.22 2h3i s SER 126 CO 0.32 -0.85 -0.07 -1.58 0.41 0.00 0.00 173.24 171.47 2h3i s GLN 127 N -4.14 1.05 0.01 12.44 -0.44 -1.26 -5.14 119.66 122.19 2h3i s GLN 127 Ca 0.39 -0.23 0.01 0.00 -2.50 0.00 0.00 55.36 53.03 2h3i s GLN 127 Cb 0.07 -0.97 -0.01 0.00 -1.64 0.00 0.00 33.01 30.46 2h3i s GLN 127 CO 0.13 -0.00 -0.04 0.54 0.50 0.00 0.00 175.29 176.41 2h3i s VAL 128 N 0.66 0.27 0.14 1.34 0.11 -1.26 -5.16 120.40 116.49 2h3i s VAL 128 Ca -0.10 -0.51 0.10 0.00 -2.93 0.00 0.00 61.98 58.54 2h3i s VAL 128 Cb -0.13 -0.30 -0.04 0.00 -1.53 0.00 0.00 36.38 34.38 2h3i s VAL 128 CO 0.01 -0.16 -0.22 -0.55 -3.33 0.00 0.00 175.10 170.85 2h3i s SER 129 N -0.71 3.60 -0.94 3.54 0.15 -1.26 -5.08 113.70 112.99 2h3i s SER 129 Ca -0.05 -0.69 -0.04 0.00 0.70 0.00 0.00 55.95 55.87 2h3i s SER 129 Cb -0.05 -0.37 0.23 0.00 -1.71 0.00 0.00 66.02 64.12 2h3i s SER 129 CO -0.00 0.17 0.85 -1.10 1.20 0.00 0.00 173.24 174.35 2h3i s GLN 130 N -2.22 3.48 0.00 5.44 1.11 -1.26 -4.66 119.66 121.56 2h3i s GLN 130 Ca 0.17 -3.23 0.00 0.00 0.01 0.00 0.00 55.36 52.31 2h3i s GLN 130 Cb -0.10 -4.10 0.00 0.00 -1.01 0.00 0.00 33.01 27.80 2h3i s GLN 130 CO 0.09 -1.26 0.00 -1.71 0.01 0.00 0.00 175.29 172.42 2h3i n ASN 131 N 2.48 0.41 -0.04 5.90 2.85 -1.26 -5.30 115.26 120.30 2h3i n ASN 131 Ca 0.21 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.69 2h3i n ASN 131 Cb 0.38 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.40 2h3i n ASN 131 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93