#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 0.25 -3.99 4.61 0.00 -1.26 -5.10 120.51 115.03 2h3i n ALA 3 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2h3i n ALA 3 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.00 1.97 0.01 0.00 0.52 -1.26 -4.94 118.95 113.25 2h3i s ARG 4 Ca 0.00 -0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 54.37 2h3i s ARG 4 Cb 0.00 -2.40 0.00 0.00 0.52 0.00 0.00 34.95 33.08 2h3i s ARG 4 CO 0.00 -0.44 0.04 0.00 0.02 0.00 0.00 175.30 174.92 2h3i n ALA 5 N 4.70 -0.09 -2.58 2.13 0.00 -1.26 -5.12 120.51 118.29 2h3i n ALA 5 Ca -0.14 -0.05 -0.43 0.00 0.00 0.00 0.00 53.44 52.82 2h3i n ALA 5 Cb 0.46 0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.91 2h3i n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2h3i s SER 6 N -1.10 6.50 0.02 0.00 0.15 -1.26 -4.77 113.70 113.25 2h3i s SER 6 Ca 0.01 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2h3i s SER 6 Cb -0.00 -2.47 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 2h3i s SER 6 CO 0.00 -1.11 0.00 0.52 1.20 0.00 0.00 173.24 173.85 2h3i n VAL 7 N 6.47 0.08 -2.54 4.45 0.31 -1.26 -5.08 118.33 120.76 2h3i n VAL 7 Ca 0.07 0.03 -0.34 0.00 -0.01 0.00 0.00 64.34 64.09 2h3i n VAL 7 Cb 0.48 -1.04 -0.04 0.00 -0.91 0.00 0.00 33.84 32.34 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 -5.72 3.82 0.00 7.52 1.43 -1.26 -4.93 118.68 119.54 2h3i s LEU 8 Ca 0.00 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 54.95 2h3i s LEU 8 Cb 0.00 -4.55 0.00 0.00 0.03 0.00 0.00 46.19 41.67 2h3i s LEU 8 CO 0.00 -0.73 0.00 -1.20 0.23 0.00 0.00 176.35 174.65 2h3i n SER 9 N -1.04 -0.12 -0.08 2.29 7.64 -1.26 -4.87 113.62 116.17 2h3i n SER 9 Ca 0.09 -0.75 -0.15 0.00 1.01 0.00 0.00 58.87 59.07 2h3i n SER 9 Cb 0.53 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.06 0.00 2.00 0.23 0.00 -1.99 -2.93 103.07 100.31 2h3i h GLY 10 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2h3i h GLY 10 CO 0.00 0.00 -0.18 -1.33 0.00 0.00 0.00 176.54 175.03 2h3i h GLY 11 N -1.00 0.00 0.83 4.60 0.00 -2.01 -2.99 103.07 102.50 2h3i h GLY 11 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 46.93 2h3i h GLY 11 CO -0.10 0.00 -1.08 -2.09 0.00 0.00 0.00 176.54 173.27 2h3i h GLU 12 N 0.00 0.36 -0.67 4.80 4.57 -1.96 -3.19 114.58 118.49 2h3i h GLU 12 Ca -0.00 -0.62 0.11 0.00 -1.18 0.00 0.00 59.36 57.67 2h3i h GLU 12 Cb 0.47 0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 29.21 2h3i h GLU 12 CO 0.02 1.30 0.25 1.25 -1.18 0.00 0.00 179.01 180.65 2h3i h LEU 13 N -0.22 0.23 -0.67 1.64 5.85 -1.38 0.31 115.31 121.08 2h3i h LEU 13 Ca -0.20 0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 2h3i h LEU 13 Cb 1.81 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 42.89 2h3i h LEU 13 CO 0.18 0.12 0.28 -0.78 -0.34 0.00 0.00 178.44 177.90 2h3i h ASP 14 N 0.42 0.91 0.22 1.25 3.58 -1.65 -2.44 116.42 118.71 2h3i h ASP 14 Ca 0.35 -0.16 -0.11 0.00 0.42 0.00 0.00 57.03 57.53 2h3i h ASP 14 Cb 0.48 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 2h3i h ASP 14 CO -0.35 0.82 -0.40 0.11 -2.88 0.00 0.00 179.24 176.54 2h3i h LYS 15 N 0.95 0.24 0.11 0.28 6.56 -1.18 -1.45 116.57 122.09 2h3i h LYS 15 Ca 0.23 -0.11 -0.01 0.00 -1.06 0.00 0.00 60.65 59.70 2h3i h LYS 15 Cb 0.18 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.84 2h3i h LYS 15 CO -0.02 0.61 -0.05 2.35 -2.06 0.00 0.00 179.45 180.28 2h3i h TRP 16 N 0.21 -0.14 0.00 -1.35 2.91 -0.02 -2.59 115.95 114.98 2h3i h TRP 16 Ca 0.02 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.04 2h3i h TRP 16 Cb 0.80 0.05 0.00 0.00 -0.51 0.00 0.00 29.16 29.50 2h3i h TRP 16 CO 0.01 0.04 0.00 0.93 -1.03 0.00 0.00 178.44 178.39 2h3i h GLU 17 N -0.29 0.00 0.10 2.65 5.08 -1.42 -3.33 114.58 117.37 2h3i h GLU 17 Ca -0.02 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2h3i h GLU 17 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2h3i h GLU 17 CO 0.02 0.00 -0.05 -0.22 -1.00 0.00 0.00 179.01 177.77 2h3i h LYS 18 N 0.00 -0.13 -6.11 2.33 3.11 -0.86 -3.23 116.57 111.69 2h3i h LYS 18 Ca 0.00 0.01 -0.61 0.00 -2.81 0.00 0.00 60.65 57.24 2h3i h LYS 18 Cb 0.58 0.03 0.17 0.00 -1.00 0.00 0.00 32.23 32.00 2h3i h LYS 18 CO 0.00 -0.08 -0.89 -0.89 -2.81 0.00 0.00 179.45 174.77 2h3i n ILE 19 N -2.40 0.73 -1.52 2.00 5.41 -1.14 -4.67 119.36 117.76 2h3i n ILE 19 Ca -0.02 -0.50 -0.08 0.00 1.00 0.00 0.00 62.75 63.16 2h3i n ILE 19 Cb 0.05 -0.16 0.05 0.00 -0.71 0.00 0.00 39.64 38.88 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 1.13 -0.17 -0.11 0.38 1.74 -1.18 -2.50 116.66 115.95 2h3i n ARG 20 Ca 0.10 -0.61 -0.22 0.00 -0.77 0.00 0.00 57.85 56.35 2h3i n ARG 20 Cb 0.44 -0.33 -0.08 0.00 -1.02 0.00 0.00 32.46 31.47 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 1.84 -4.16 0.55 4.77 0.12 -3.91 117.00 116.21 2h3i n LEU 21 Ca 0.05 0.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.09 2h3i n LEU 21 Cb 0.16 -0.67 -0.11 0.00 -2.33 0.00 0.00 43.42 40.48 2h3i n LEU 21 CO 0.11 0.54 -0.41 0.00 -1.33 0.00 0.00 177.39 176.31 2h3i s ARG 22 N -2.41 0.80 0.03 3.23 1.70 -1.26 -4.02 118.95 117.02 2h3i s ARG 22 Ca -0.31 -1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 53.50 2h3i s ARG 22 Cb 0.11 -0.40 -0.06 0.00 -0.57 0.00 0.00 34.95 34.02 2h3i s ARG 22 CO 0.41 0.05 1.43 -1.25 -1.08 0.00 0.00 175.30 174.86 2h3i s PRO 23 N -2.90 4.28 0.00 3.89 0.04 -1.26 -3.00 135.00 136.05 2h3i s PRO 23 Ca 0.05 2.03 0.00 0.00 0.04 0.00 0.00 61.00 63.12 2h3i s PRO 23 Cb -0.02 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 31.01 2h3i s PRO 23 CO -0.01 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2h3i n GLY 24 N 3.66 0.64 0.00 0.56 0.00 -1.26 -5.06 105.19 103.73 2h3i n GLY 24 Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.24 4.97 0.00 -0.02 0.00 -1.16 -5.07 105.19 102.67 2h3i n GLY 25 Ca 0.00 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.06 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 0.65 -3.17 1.61 4.81 -1.26 -5.01 118.16 115.79 2h3i n LYS 26 Ca 0.00 -0.67 -0.39 0.00 -0.87 0.00 0.00 58.31 56.38 2h3i n LYS 26 Cb 0.00 -0.64 -0.05 0.00 0.02 0.00 0.00 35.03 34.35 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2h3i s LYS 27 N -0.24 4.35 0.33 1.64 1.02 -1.26 -5.01 119.74 120.58 2h3i s LYS 27 Ca 0.00 0.77 0.04 0.00 0.02 0.00 0.00 55.97 56.79 2h3i s LYS 27 Cb 0.00 -3.37 0.04 0.00 -0.52 0.00 0.00 37.83 33.98 2h3i s LYS 27 CO 0.00 0.30 0.30 1.04 -0.92 0.00 0.00 175.35 176.07 2h3i n GLN 28 N 2.95 0.95 -3.58 1.68 6.02 -1.26 0.15 117.38 124.28 2h3i n GLN 28 Ca -0.06 -1.97 -0.30 0.00 -0.01 0.00 0.00 57.00 54.66 2h3i n GLN 28 Cb 0.51 0.12 -0.04 0.00 1.02 0.00 0.00 30.24 31.85 2h3i n GLN 28 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2h3i s TYR 29 N -1.48 3.47 0.26 1.08 2.02 -1.04 -4.57 117.35 117.09 2h3i s TYR 29 Ca 0.23 0.57 -0.10 0.00 -0.37 0.00 0.00 57.07 57.41 2h3i s TYR 29 Cb -0.02 -2.03 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 2h3i s TYR 29 CO 0.14 0.36 0.43 0.15 -1.57 0.00 0.00 175.55 175.06 2h3i s LYS 30 N -2.96 1.56 0.25 -0.62 1.02 -1.26 -4.05 119.74 113.67 2h3i s LYS 30 Ca 0.42 -1.39 -0.05 0.00 0.02 0.00 0.00 55.97 54.97 2h3i s LYS 30 Cb -0.12 0.44 0.48 0.00 -0.52 0.00 0.00 37.83 38.11 2h3i s LYS 30 CO 0.26 -0.63 1.66 1.25 -0.92 0.00 0.00 175.35 176.97 2h3i h LEU 31 N 2.29 -0.13 -0.87 3.17 5.85 -1.99 -0.59 115.31 123.04 2h3i h LEU 31 Ca -0.28 0.17 0.21 0.00 0.84 0.00 0.00 57.88 58.82 2h3i h LEU 31 Cb 1.25 0.26 -0.16 0.00 0.37 0.00 0.00 40.66 42.38 2h3i h LEU 31 CO 0.39 -0.11 -0.08 0.29 -0.34 0.00 0.00 178.44 178.59 2h3i n LYS 32 N -5.24 -0.07 -0.10 1.25 4.76 -1.26 0.88 118.16 118.38 2h3i n LYS 32 Ca 0.15 1.33 -0.11 0.00 -2.87 0.00 0.00 58.31 56.80 2h3i n LYS 32 Cb 0.49 -2.06 -0.03 0.00 -1.84 0.00 0.00 35.03 31.59 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2h3i h HIS 33 N 0.00 0.52 0.35 2.13 3.86 -1.52 -2.26 115.15 118.23 2h3i h HIS 33 Ca 0.48 -0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.61 2h3i h HIS 33 Cb 0.91 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 29.21 2h3i h HIS 33 CO -0.53 0.61 -0.37 0.82 0.86 0.00 0.00 177.93 179.31 2h3i h ILE 34 N 0.29 0.24 -0.60 2.45 2.04 0.52 -2.19 117.51 120.25 2h3i h ILE 34 Ca 0.08 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.06 2h3i h ILE 34 Cb 0.38 0.24 -0.09 0.00 -0.74 0.00 0.00 36.82 36.61 2h3i h ILE 34 CO 0.01 0.00 0.10 0.58 0.00 0.00 0.00 178.15 178.84 2h3i h VAL 35 N -0.75 0.61 -0.08 1.67 2.07 -1.23 0.45 116.25 118.99 2h3i h VAL 35 Ca -0.02 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 67.44 2h3i h VAL 35 Cb 0.68 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2h3i h VAL 35 CO -0.08 0.04 0.13 -0.25 0.02 0.00 0.00 177.57 177.43 2h3i h TRP 36 N 0.22 0.00 0.00 1.57 7.01 -1.05 0.35 115.95 124.05 2h3i h TRP 36 Ca 0.31 0.00 -0.17 0.00 2.11 0.00 0.00 58.89 61.15 2h3i h TRP 36 Cb 0.48 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 2h3i h TRP 36 CO -0.27 0.00 -1.10 0.00 -2.79 0.00 0.00 178.44 174.28 2h3i n ALA 37 N -2.22 0.71 0.12 2.65 0.00 0.12 -3.90 120.51 117.99 2h3i n ALA 37 Ca -0.01 -0.51 0.16 0.00 0.00 0.00 0.00 53.44 53.08 2h3i n ALA 37 Cb 0.22 -0.32 0.71 0.00 0.00 0.00 0.00 19.45 20.06 2h3i n ALA 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2h3i h SER 38 N -1.00 0.00 1.31 0.00 0.87 -0.25 0.34 113.55 114.83 2h3i h SER 38 Ca -0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2h3i h SER 38 Cb 1.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2h3i h SER 38 CO -0.15 0.00 0.00 -0.09 -0.53 0.00 0.00 176.83 176.06 2h3i h ARG 39 N 0.00 0.00 0.03 2.24 2.43 -1.10 -3.16 114.38 114.82 2h3i h ARG 39 Ca 0.15 0.00 -0.21 0.00 -0.81 0.00 0.00 59.98 59.10 2h3i h ARG 39 Cb 0.62 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2h3i h ARG 39 CO -0.00 0.00 -1.14 1.49 -1.51 0.00 0.00 179.97 178.81 2h3i h GLU 40 N 0.00 0.07 -0.76 0.20 4.57 -0.45 -3.37 114.58 114.83 2h3i h GLU 40 Ca 0.00 -0.12 0.14 0.00 -1.18 0.00 0.00 59.36 58.20 2h3i h GLU 40 Cb 0.66 0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 29.20 2h3i h GLU 40 CO 0.00 1.06 0.32 -0.07 -1.18 0.00 0.00 179.01 179.13 2h3i h LEU 41 N -0.78 0.31 -1.44 1.64 3.38 -1.46 0.14 115.31 117.10 2h3i h LEU 41 Ca -0.29 0.11 0.23 0.00 0.09 0.00 0.00 57.88 58.02 2h3i h LEU 41 Cb 1.40 0.08 -0.08 0.00 0.09 0.00 0.00 40.66 42.15 2h3i h LEU 41 CO -0.10 0.12 0.64 -0.08 0.09 0.00 0.00 178.44 179.11 2h3i h GLU 42 N 0.46 0.40 0.00 1.13 4.81 -1.37 0.53 114.58 120.53 2h3i h GLU 42 Ca 0.42 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 2h3i h GLU 42 Cb 0.63 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2h3i h GLU 42 CO -0.40 0.26 -0.83 -0.09 -0.73 0.00 0.00 179.01 177.22 2h3i h ARG 43 N 0.41 0.00 -0.88 1.92 1.12 -0.97 -3.32 114.38 112.65 2h3i h ARG 43 Ca 0.53 0.00 -0.15 0.00 -1.11 0.00 0.00 59.98 59.25 2h3i h ARG 43 Cb 1.34 0.00 -0.09 0.00 -0.01 0.00 0.00 29.97 31.21 2h3i h ARG 43 CO -0.23 0.00 0.19 0.34 -3.11 0.00 0.00 179.97 177.16 2h3i n PHE 44 N -2.52 1.49 -1.37 2.20 -0.00 0.16 -4.84 117.46 112.58 2h3i n PHE 44 Ca 0.01 -0.86 -0.13 0.00 -0.00 0.00 0.00 57.45 56.48 2h3i n PHE 44 Cb 0.51 -0.50 -0.06 0.00 -0.00 0.00 0.00 39.48 39.44 2h3i n PHE 44 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2h3i n ALA 45 N -0.05 -0.20 -3.02 3.13 0.00 -1.01 -4.95 120.51 114.41 2h3i n ALA 45 Ca 0.25 0.21 -0.33 0.00 0.00 0.00 0.00 53.44 53.57 2h3i n ALA 45 Cb 0.99 -1.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.51 2h3i n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h3i s VAL 46 N -2.14 2.95 0.24 0.00 1.01 0.37 -5.02 120.40 117.81 2h3i s VAL 46 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 2h3i s VAL 46 Cb 0.00 -2.22 -0.09 0.00 0.00 0.00 0.00 36.38 34.07 2h3i s VAL 46 CO 0.00 0.54 1.14 0.20 0.00 0.00 0.00 175.10 176.98 2h3i s ASN 47 N 0.22 7.18 0.00 3.32 0.01 -1.26 -2.04 114.94 122.37 2h3i s ASN 47 Ca -0.09 2.26 0.15 0.00 -0.71 0.00 0.00 52.86 54.47 2h3i s ASN 47 Cb -0.15 -2.62 0.77 0.00 0.41 0.00 0.00 41.25 39.66 2h3i s ASN 47 CO 0.05 -0.25 1.40 -0.81 -1.51 0.00 0.00 177.10 175.98 2h3i n PRO 48 N 1.75 0.25 0.00 -0.60 -0.04 -1.26 -2.46 135.00 132.63 2h3i n PRO 48 Ca 0.01 0.13 0.14 0.00 -0.04 0.00 0.00 63.50 63.74 2h3i n PRO 48 Cb 0.45 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 33.06 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 -1.30 1.22 0.55 0.00 -1.26 -3.39 105.19 100.97 2h3i n GLY 49 Ca 0.08 -0.16 0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.32 3.45 -0.00 0.99 4.77 -1.03 -3.62 117.00 120.24 2h3i n LEU 50 Ca 0.11 -1.75 0.06 0.00 -0.03 0.00 0.00 56.01 54.40 2h3i n LEU 50 Cb 0.29 -0.60 -0.08 0.00 -2.33 0.00 0.00 43.42 40.70 2h3i n LEU 50 CO 0.25 0.45 -0.45 0.18 -1.33 0.00 0.00 177.39 176.50 2h3i n LEU 51 N 0.28 0.16 0.09 2.23 4.77 -1.22 -2.40 117.00 120.92 2h3i n LEU 51 Ca 0.15 -0.15 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 2h3i n LEU 51 Cb 0.74 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.81 2h3i n LEU 51 CO 0.17 0.04 0.13 1.05 -1.33 0.00 0.00 177.39 177.45 2h3i h GLU 52 N 0.00 0.00 -5.41 3.23 4.11 -1.81 -3.45 114.58 111.25 2h3i h GLU 52 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.78 2h3i h GLU 52 Cb 0.45 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.47 2h3i h GLU 52 CO 0.00 0.40 -0.70 0.95 0.07 0.00 0.00 179.01 179.73 2h3i s THR 53 N -2.96 3.63 0.51 -1.06 -4.23 -1.26 -4.99 115.64 105.29 2h3i s THR 53 Ca 0.01 -0.46 0.25 0.00 -1.18 0.00 0.00 61.69 60.32 2h3i s THR 53 Cb 0.08 -2.56 0.42 0.00 1.34 0.00 0.00 72.50 71.78 2h3i s THR 53 CO 0.78 0.52 1.95 -1.28 -0.54 0.00 0.00 174.62 176.04 2h3i h SER 54 N 6.52 0.07 -0.52 3.99 0.87 -1.89 0.12 113.55 122.71 2h3i h SER 54 Ca -0.32 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.21 2h3i h SER 54 Cb 1.19 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 63.12 2h3i h SER 54 CO 0.60 0.03 0.19 -0.08 -0.53 0.00 0.00 176.83 177.04 2h3i h GLU 55 N 0.08 0.85 -0.00 2.24 4.81 -1.94 -2.67 114.58 117.94 2h3i h GLU 55 Ca 0.33 -0.15 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2h3i h GLU 55 Cb 1.21 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.45 2h3i h GLU 55 CO -0.03 0.72 0.00 0.78 -0.73 0.00 0.00 179.01 179.75 2h3i h GLY 56 N 0.96 0.01 0.87 1.92 0.00 -0.89 -2.92 103.07 103.02 2h3i h GLY 56 Ca 0.19 -0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.54 2h3i h GLY 56 CO -0.01 0.00 0.33 0.00 0.00 0.00 0.00 176.54 176.86 2h3i h ARG 58 N 0.66 0.05 0.05 0.00 1.12 -1.28 0.55 114.38 115.52 2h3i h ARG 58 Ca 0.22 -0.00 -0.35 0.00 -1.11 0.00 0.00 59.98 58.74 2h3i h ARG 58 Cb 0.02 -0.01 -0.05 0.00 -0.01 0.00 0.00 29.97 29.93 2h3i h ARG 58 CO -0.10 0.03 -2.09 1.04 -3.11 0.00 0.00 179.97 175.74 2h3i n GLN 59 N -4.21 0.69 0.22 0.20 6.02 -0.66 -3.42 117.38 116.22 2h3i n GLN 59 Ca 0.32 0.20 0.07 0.00 -0.01 0.00 0.00 57.00 57.58 2h3i n GLN 59 Cb 1.44 -1.66 0.52 0.00 1.02 0.00 0.00 30.24 31.56 2h3i n GLN 59 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2h3i h ILE 60 N 0.03 0.93 0.00 5.09 2.04 0.92 -2.48 117.51 124.04 2h3i h ILE 60 Ca -0.44 -0.90 -0.14 0.00 1.00 0.00 0.00 64.86 64.37 2h3i h ILE 60 Cb 2.03 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 39.61 2h3i h ILE 60 CO 0.04 0.24 -1.10 -0.07 0.00 0.00 0.00 178.15 177.25 2h3i h LEU 61 N 0.00 0.00 -0.78 1.44 3.38 -0.26 -3.28 115.31 115.81 2h3i h LEU 61 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2h3i h LEU 61 Cb 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2h3i h LEU 61 CO 0.03 0.54 -0.58 1.23 0.09 0.00 0.00 178.44 179.76 2h3i h GLY 62 N 3.64 0.12 0.45 0.83 0.00 -1.47 0.10 103.07 106.74 2h3i h GLY 62 Ca -0.10 -0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 2h3i h GLY 62 CO 0.05 0.12 -0.17 -1.61 0.00 0.00 0.00 176.54 174.94 2h3i h GLN 63 N 0.08 0.15 0.00 4.80 4.15 -1.61 -3.26 115.11 119.41 2h3i h GLN 63 Ca -0.00 -0.13 -0.06 0.00 0.77 0.00 0.00 58.65 59.23 2h3i h GLN 63 Cb 1.04 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 2h3i h GLN 63 CO 0.08 0.83 -0.27 -0.07 -1.93 0.00 0.00 178.83 177.47 2h3i h LEU 64 N -0.49 0.00 -0.20 -2.39 3.38 -1.61 -3.32 115.31 110.67 2h3i h LEU 64 Ca -0.02 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.98 2h3i h LEU 64 Cb 0.88 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.57 2h3i h LEU 64 CO 0.03 0.27 -0.46 1.56 0.09 0.00 0.00 178.44 179.93 2h3i h GLN 65 N 0.00 -0.42 0.00 1.13 4.20 -0.83 0.35 115.11 119.54 2h3i h GLN 65 Ca -0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2h3i h GLN 65 Cb 0.96 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.84 2h3i h GLN 65 CO 0.04 -0.28 0.00 -0.35 -0.67 0.00 0.00 178.83 177.57 2h3i n PRO 66 N -4.96 0.43 -0.00 1.46 -0.04 -1.25 -1.89 135.00 128.76 2h3i n PRO 66 Ca -0.04 0.03 0.07 0.00 -0.04 0.00 0.00 63.50 63.52 2h3i n PRO 66 Cb 0.31 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.06 0.94 0.28 3.54 7.64 0.86 -4.40 113.62 121.42 2h3i n SER 67 Ca 0.11 -0.58 0.18 0.00 1.01 0.00 0.00 58.87 59.58 2h3i n SER 67 Cb 0.07 1.23 0.95 0.00 -1.01 0.00 0.00 64.21 65.44 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 -0.30 -3.43 3.38 0.21 0.94 115.31 116.11 2h3i h LEU 68 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2h3i h LEU 68 Cb 0.47 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2h3i h LEU 68 CO 0.00 0.00 0.09 -0.61 0.09 0.00 0.00 178.44 178.01 2h3i h GLN 69 N 0.00 0.21 -0.82 1.13 4.15 -1.77 -3.27 115.11 114.74 2h3i h GLN 69 Ca 0.03 -0.01 -0.40 0.00 0.77 0.00 0.00 58.65 59.04 2h3i h GLN 69 Cb 0.24 -0.05 -0.41 0.00 0.21 0.00 0.00 27.48 27.47 2h3i h GLN 69 CO -0.00 0.14 -1.01 0.25 -1.93 0.00 0.00 178.83 176.28 2h3i n THR 70 N -5.04 1.66 -3.14 2.39 -2.24 -0.80 -5.07 114.28 102.04 2h3i n THR 70 Ca -0.00 -3.57 -0.40 0.00 -2.27 0.00 0.00 64.05 57.80 2h3i n THR 70 Cb 0.11 0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.46 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 -3.54 2.04 1.31 3.38 0.00 0.26 -5.06 107.32 105.71 2h3i s GLY 71 Ca 0.36 -0.30 -0.20 0.00 0.00 0.00 0.00 44.72 44.58 2h3i s GLY 71 CO -0.03 1.28 0.71 -1.14 0.00 0.00 0.00 173.10 173.92 2h3i n SER 72 N 5.04 -3.61 -0.04 1.64 3.41 -1.26 -4.25 113.62 114.55 2h3i n SER 72 Ca -0.02 -0.66 0.23 0.00 -0.26 0.00 0.00 58.87 58.17 2h3i n SER 72 Cb 0.50 -0.95 0.71 0.00 -0.26 0.00 0.00 64.21 64.21 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 -3.27 0.00 0.12 4.33 5.08 -1.98 -0.31 114.58 118.55 2h3i h GLU 73 Ca -0.37 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2h3i h GLU 73 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2h3i h GLU 73 CO 0.24 0.00 -0.06 0.93 -1.00 0.00 0.00 179.01 179.12 2h3i h GLU 74 N 0.00 -0.15 -0.30 2.33 5.08 -1.98 0.17 114.58 119.73 2h3i h GLU 74 Ca 0.30 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.61 2h3i h GLU 74 Cb 1.26 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 2h3i h GLU 74 CO -0.00 0.22 -0.06 1.25 -1.00 0.00 0.00 179.01 179.41 2h3i h LEU 75 N -0.56 0.46 -0.09 1.33 6.46 -1.52 -0.79 115.31 120.61 2h3i h LEU 75 Ca -0.02 -0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.54 2h3i h LEU 75 Cb 0.44 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 2h3i h LEU 75 CO 0.03 0.58 -0.35 0.03 -0.62 0.00 0.00 178.44 178.10 2h3i h ARG 76 N 0.46 0.39 0.00 1.25 2.47 -1.07 -2.68 114.38 115.19 2h3i h ARG 76 Ca 0.09 -0.30 -0.06 0.00 -1.26 0.00 0.00 59.98 58.45 2h3i h ARG 76 Cb 0.40 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 2h3i h ARG 76 CO 0.02 0.94 -0.28 0.77 0.56 0.00 0.00 179.97 181.97 2h3i h SER 77 N -0.07 0.00 0.35 7.04 0.02 -0.50 -2.74 113.55 117.64 2h3i h SER 77 Ca -0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2h3i h SER 77 Cb 0.99 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.53 2h3i h SER 77 CO 0.07 0.28 -0.17 -0.07 -1.14 0.00 0.00 176.83 175.81 2h3i h LEU 78 N 0.00 -0.39 -0.89 5.07 -0.00 -1.13 -2.90 115.31 115.07 2h3i h LEU 78 Ca -0.00 -0.15 0.17 0.00 -0.00 0.00 0.00 57.88 57.90 2h3i h LEU 78 Cb 0.52 0.10 -0.10 0.00 -0.00 0.00 0.00 40.66 41.18 2h3i h LEU 78 CO 0.04 0.04 0.46 0.22 -0.00 0.00 0.00 178.44 179.19 2h3i h TYR 79 N -0.94 0.79 -0.35 1.13 3.20 -1.44 0.39 116.97 119.76 2h3i h TYR 79 Ca -0.05 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2h3i h TYR 79 Cb 0.52 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.56 2h3i h TYR 79 CO 0.03 0.13 0.23 -0.91 -1.64 0.00 0.00 178.16 176.00 2h3i h ASN 80 N 0.59 0.40 0.00 -2.11 -0.26 -1.51 0.21 115.58 112.90 2h3i h ASN 80 Ca 0.51 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.24 2h3i h ASN 80 Cb 0.80 -0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.96 2h3i h ASN 80 CO -0.41 0.30 -0.17 0.74 -1.06 0.00 0.00 177.43 176.83 2h3i h THR 81 N 0.47 0.00 -0.81 2.81 2.02 -0.29 -3.29 112.91 113.83 2h3i h THR 81 Ca 0.13 -0.99 0.18 0.00 0.77 0.00 0.00 66.41 66.50 2h3i h THR 81 Cb -0.05 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.25 2h3i h THR 81 CO -0.03 0.00 0.29 0.40 0.37 0.00 0.00 175.52 176.56 2h3i h ILE 82 N -0.99 0.52 -0.18 3.11 2.04 -0.44 -1.13 117.51 120.44 2h3i h ILE 82 Ca 0.00 -0.12 0.05 0.00 1.00 0.00 0.00 64.86 65.79 2h3i h ILE 82 Cb 0.17 0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.32 2h3i h ILE 82 CO 0.00 0.07 -0.23 0.00 0.00 0.00 0.00 178.15 177.98 2h3i h ALA 83 N 1.64 -0.16 -0.94 1.87 0.00 -1.12 0.52 119.26 121.08 2h3i h ALA 83 Ca 0.48 0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.64 2h3i h ALA 83 Cb 0.84 0.47 -0.08 0.00 0.00 0.00 0.00 17.79 19.02 2h3i h ALA 83 CO -0.50 -0.67 0.61 0.28 0.00 0.00 0.00 179.25 178.96 2h3i h VAL 84 N -0.27 0.70 0.07 0.00 2.07 -1.28 -1.25 116.25 116.30 2h3i h VAL 84 Ca 0.12 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2h3i h VAL 84 Cb 0.44 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 2h3i h VAL 84 CO -0.34 0.10 -0.04 0.25 0.02 0.00 0.00 177.57 177.56 2h3i h LEU 85 N 0.54 -0.08 -0.15 2.57 5.85 -0.85 -2.81 115.31 120.38 2h3i h LEU 85 Ca 0.50 -0.48 0.05 0.00 0.84 0.00 0.00 57.88 58.79 2h3i h LEU 85 Cb 1.06 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 42.04 2h3i h LEU 85 CO -0.24 0.48 -0.39 0.22 -0.34 0.00 0.00 178.44 178.17 2h3i h TYR 86 N -0.69 -1.11 -0.65 1.25 3.20 -0.14 0.23 116.97 119.07 2h3i h TYR 86 Ca -0.01 0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.02 2h3i h TYR 86 Cb 0.56 0.51 -0.09 0.00 1.54 0.00 0.00 36.73 39.25 2h3i h TYR 86 CO 0.11 -0.45 0.20 0.00 -1.64 0.00 0.00 178.16 176.38 2h3i h VAL 88 N 0.34 0.86 -0.94 0.00 2.07 -0.99 0.49 116.25 118.08 2h3i h VAL 88 Ca 0.34 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.95 2h3i h VAL 88 Cb 0.50 0.86 -0.07 0.00 -1.52 0.00 0.00 31.29 31.05 2h3i h VAL 88 CO -0.38 0.00 0.58 0.45 0.02 0.00 0.00 177.57 178.24 2h3i h HIS 89 N -0.08 1.07 0.00 1.57 -0.00 -0.19 0.19 115.15 117.72 2h3i h HIS 89 Ca 0.03 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2h3i h HIS 89 Cb 0.12 -0.34 0.00 0.00 -0.00 0.00 0.00 27.41 27.19 2h3i h HIS 89 CO -0.14 0.48 0.00 1.04 -0.00 0.00 0.00 177.93 179.32 2h3i n GLN 90 N -4.62 0.90 -0.93 2.45 1.13 -0.67 -4.80 117.38 110.84 2h3i n GLN 90 Ca 0.16 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 2h3i n GLN 90 Cb 0.26 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.58 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 -0.47 -0.40 -2.27 -1.09 3.00 0.68 -4.96 116.66 111.15 2h3i n ARG 91 Ca 0.00 0.10 -0.43 0.00 -0.00 0.00 0.00 57.85 57.52 2h3i n ARG 91 Cb 0.01 -3.46 -0.02 0.00 0.00 0.00 0.00 32.46 28.99 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 -2.20 3.91 -0.23 5.15 1.01 0.17 -4.96 121.20 124.05 2h3i s ILE 92 Ca 0.00 1.01 -0.14 0.00 0.00 0.00 0.00 60.65 61.52 2h3i s ILE 92 Cb 0.00 -3.97 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2h3i s ILE 92 CO 0.00 -0.44 0.32 -1.81 0.00 0.00 0.00 174.94 173.01 2h3i s ASP 93 N 3.66 6.30 0.33 3.58 1.11 -1.26 -3.64 116.67 126.75 2h3i s ASP 93 Ca 0.64 0.35 0.07 0.00 0.18 0.00 0.00 52.55 53.79 2h3i s ASP 93 Cb -0.20 -2.19 -0.06 0.00 1.07 0.00 0.00 42.92 41.54 2h3i s ASP 93 CO 0.27 -0.05 -0.04 0.68 1.18 0.00 0.00 175.17 177.21 2h3i s VAL 94 N 1.36 1.84 0.00 -1.27 -7.23 -1.26 -5.07 120.40 108.76 2h3i s VAL 94 Ca 0.15 -2.11 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2h3i s VAL 94 Cb -0.15 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.14 2h3i s VAL 94 CO 0.07 -0.18 0.09 0.29 -0.31 0.00 0.00 175.10 175.06 2h3i n LYS 95 N -0.73 0.00 -2.88 4.82 4.01 -1.26 -4.79 118.16 117.32 2h3i n LYS 95 Ca -0.05 0.45 -0.11 0.00 -0.51 0.00 0.00 58.31 58.09 2h3i n LYS 95 Cb 0.64 -1.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.15 2h3i n LYS 95 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2h3i n ASP 96 N -1.85 2.40 0.00 4.39 5.68 -1.26 -3.11 116.55 122.79 2h3i n ASP 96 Ca 0.00 -1.78 0.09 0.00 -0.50 0.00 0.00 54.79 52.60 2h3i n ASP 96 Cb 0.00 0.11 0.53 0.00 -1.14 0.00 0.00 41.12 40.62 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 -0.51 0.06 -0.05 2.12 -1.04 -1.25 -2.91 114.28 110.70 2h3i n THR 97 Ca -0.07 0.01 -0.02 0.00 -2.04 0.00 0.00 64.05 61.93 2h3i n THR 97 Cb 0.23 -0.73 -0.01 0.00 -1.82 0.00 0.00 70.33 68.00 2h3i n THR 97 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2h3i h LYS 98 N 0.00 0.00 0.00 -2.82 3.64 -1.94 -3.20 116.57 112.25 2h3i h LYS 98 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2h3i h LYS 98 Cb 0.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.84 2h3i h LYS 98 CO 0.00 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 2h3i n GLU 99 N -3.95 0.11 -0.03 1.90 1.02 -1.22 -2.22 120.64 116.24 2h3i n GLU 99 Ca -0.04 0.54 -0.17 0.00 -0.02 0.00 0.00 57.16 57.47 2h3i n GLU 99 Cb 0.14 -1.82 -0.13 0.00 -0.02 0.00 0.00 31.44 29.60 2h3i n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2h3i h ALA 100 N 2.09 0.01 -0.30 0.62 0.00 -1.68 -3.24 119.26 116.76 2h3i h ALA 100 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2h3i h ALA 100 Cb 0.09 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2h3i h ALA 100 CO 0.00 0.24 0.19 -0.07 0.00 0.00 0.00 179.25 179.61 2h3i h LEU 101 N -0.77 0.36 -0.96 0.00 3.38 -1.44 -2.51 115.31 113.36 2h3i h LEU 101 Ca -0.10 -0.03 0.15 0.00 0.09 0.00 0.00 57.88 57.99 2h3i h LEU 101 Cb 1.27 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.84 2h3i h LEU 101 CO 0.03 0.28 0.58 0.44 0.09 0.00 0.00 178.44 179.86 2h3i h ASP 102 N 0.39 0.78 -0.45 -0.43 5.19 -1.65 0.21 116.42 120.47 2h3i h ASP 102 Ca 0.11 0.07 0.13 0.00 -0.62 0.00 0.00 57.03 56.72 2h3i h ASP 102 Cb -0.01 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 39.41 2h3i h ASP 102 CO -0.02 0.35 0.48 0.11 -3.12 0.00 0.00 179.24 177.05 2h3i h LYS 103 N 0.83 0.00 0.03 3.56 6.56 -1.47 0.35 116.57 126.42 2h3i h LYS 103 Ca 0.51 0.00 -0.36 0.00 -1.06 0.00 0.00 60.65 59.74 2h3i h LYS 103 Cb 0.66 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.27 2h3i h LYS 103 CO -0.33 0.00 -2.23 -0.89 -2.06 0.00 0.00 179.45 173.95 2h3i n ILE 104 N -3.70 1.54 0.21 1.86 5.41 0.62 -3.56 119.36 121.74 2h3i n ILE 104 Ca 0.08 -0.71 0.08 0.00 1.00 0.00 0.00 62.75 63.20 2h3i n ILE 104 Cb 0.67 -1.15 0.46 0.00 -0.71 0.00 0.00 39.64 38.90 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 0.01 0.00 0.00 0.38 4.81 0.13 -2.23 114.58 117.68 2h3i h GLU 105 Ca -0.49 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 2h3i h GLU 105 Cb 2.05 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.43 2h3i h GLU 105 CO 0.01 0.28 -0.06 1.49 -0.73 0.00 0.00 179.01 180.00 2h3i h GLU 106 N 0.00 0.00 -0.24 1.92 4.57 -0.57 -2.06 114.58 118.19 2h3i h GLU 106 Ca -0.00 0.00 0.07 0.00 -1.18 0.00 0.00 59.36 58.25 2h3i h GLU 106 Cb 0.70 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2h3i h GLU 106 CO 0.04 0.25 0.25 1.49 -1.18 0.00 0.00 179.01 179.86 2h3i h GLU 107 N -1.00 0.00 -0.28 1.92 4.57 -1.62 0.10 114.58 118.28 2h3i h GLU 107 Ca -0.01 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 2h3i h GLU 107 Cb 0.29 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.81 2h3i h GLU 107 CO -0.00 0.00 -0.07 1.04 -1.18 0.00 0.00 179.01 178.79 2h3i n GLN 108 N -3.86 2.06 -0.08 1.92 6.02 -0.84 -4.65 117.38 117.96 2h3i n GLN 108 Ca 0.03 -3.05 -0.10 0.00 -0.01 0.00 0.00 57.00 53.87 2h3i n GLN 108 Cb 0.39 -1.79 0.05 0.00 1.02 0.00 0.00 30.24 29.91 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 1.13 0.82 0.00 1.08 -1.24 -0.02 -2.73 115.58 114.62 2h3i h ASN 109 Ca 0.14 -0.34 -0.00 0.00 0.71 0.00 0.00 56.30 56.80 2h3i h ASN 109 Cb 1.52 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 40.34 2h3i h ASN 109 CO 0.30 1.08 -0.00 0.50 -1.29 0.00 0.00 177.43 178.01 2h3i h LYS 110 N 0.66 0.00 -0.24 6.67 3.64 -1.83 -1.51 116.57 123.97 2h3i h LYS 110 Ca 0.07 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.26 2h3i h LYS 110 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2h3i h LYS 110 CO 0.08 0.00 -0.61 1.03 -2.27 0.00 0.00 179.45 177.68 2h3i h SER 111 N 0.00 0.92 -0.39 4.20 0.87 -1.83 -3.20 113.55 114.12 2h3i h SER 111 Ca -0.00 -0.52 -0.14 0.00 -1.23 0.00 0.00 61.79 59.90 2h3i h SER 111 Cb 0.00 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.69 2h3i h SER 111 CO 0.00 1.31 -0.30 0.11 -0.53 0.00 0.00 176.83 177.43 2h3i h LYS 112 N 0.61 0.89 -0.60 2.24 1.57 -1.32 -2.92 116.57 117.04 2h3i h LYS 112 Ca -0.00 -0.44 0.17 0.00 -1.87 0.00 0.00 60.65 58.51 2h3i h LYS 112 Cb 1.21 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 2h3i h LYS 112 CO 0.13 1.09 0.43 0.87 -0.57 0.00 0.00 179.45 181.39 2h3i h LYS 113 N 0.71 0.03 -0.10 3.15 1.79 -1.45 0.19 116.57 120.89 2h3i h LYS 113 Ca 0.07 -0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 2h3i h LYS 113 Cb 0.88 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.51 2h3i h LYS 113 CO 0.08 0.02 -0.10 -0.22 -1.08 0.00 0.00 179.45 178.15 2h3i h LYS 114 N 0.03 0.15 0.00 3.15 1.63 -1.51 -2.11 116.57 117.92 2h3i h LYS 114 Ca 0.28 -0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 59.87 2h3i h LYS 114 Cb 1.09 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.67 2h3i h LYS 114 CO -0.01 0.25 -0.89 0.00 -3.45 0.00 0.00 179.45 175.35 2h3i h ALA 115 N 1.77 0.43 0.00 5.00 0.00 -0.74 -3.24 119.26 122.48 2h3i h ALA 115 Ca 0.03 -0.81 -0.07 0.00 0.00 0.00 0.00 54.91 54.06 2h3i h ALA 115 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2h3i h ALA 115 CO 0.01 1.12 -0.32 1.96 0.00 0.00 0.00 179.25 182.03 2h3i h GLN 116 N 0.00 0.00 -0.84 0.00 1.08 -1.09 -2.78 115.11 111.47 2h3i h GLN 116 Ca -0.01 0.00 0.22 0.00 -1.45 0.00 0.00 58.65 57.41 2h3i h GLN 116 Cb 1.68 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.06 2h3i h GLN 116 CO 0.12 0.32 0.58 0.37 -0.95 0.00 0.00 178.83 179.26 2h3i h GLN 117 N 0.00 0.17 -0.49 1.46 4.15 -1.52 0.21 115.11 119.09 2h3i h GLN 117 Ca -0.00 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.42 2h3i h GLN 117 Cb 0.61 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 28.24 2h3i h GLN 117 CO 0.04 0.11 0.33 0.00 -1.93 0.00 0.00 178.83 177.38 2h3i h ALA 118 N 1.61 1.68 -1.28 3.38 0.00 -1.70 -3.05 119.26 119.89 2h3i h ALA 118 Ca 0.42 -0.03 -0.80 0.00 0.00 0.00 0.00 54.91 54.50 2h3i h ALA 118 Cb 1.37 -0.19 -0.25 0.00 0.00 0.00 0.00 17.79 18.72 2h3i h ALA 118 CO -0.08 0.29 1.23 0.00 0.00 0.00 0.00 179.25 180.68 2h3i n ALA 119 N -2.47 5.97 -2.04 0.00 0.00 0.73 -4.32 120.51 118.39 2h3i n ALA 119 Ca 0.05 -4.56 -0.06 0.00 0.00 0.00 0.00 53.44 48.87 2h3i n ALA 119 Cb 0.08 -2.34 -0.06 0.00 0.00 0.00 0.00 19.45 17.13 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 0.64 3.54 -0.03 0.00 0.00 -1.15 -4.95 120.51 118.55 2h3i n ALA 120 Ca 0.45 -0.79 -0.21 0.00 0.00 0.00 0.00 53.44 52.89 2h3i n ALA 120 Cb 0.28 -0.34 -0.13 0.00 0.00 0.00 0.00 19.45 19.25 2h3i n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2h3i n ASP 121 N 0.04 2.08 -4.63 0.00 2.03 -1.26 -4.95 116.55 109.87 2h3i n ASP 121 Ca -0.23 0.13 -0.40 0.00 0.52 0.00 0.00 54.79 54.81 2h3i n ASP 121 Cb 0.72 -0.75 0.03 0.00 -0.72 0.00 0.00 41.12 40.40 2h3i n ASP 121 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2h3i n THR 122 N -3.45 2.99 -1.90 5.18 -2.24 -1.26 -4.96 114.28 108.64 2h3i n THR 122 Ca -0.36 -0.50 -0.32 0.00 -2.27 0.00 0.00 64.05 60.61 2h3i n THR 122 Cb 1.02 -1.23 0.02 0.00 -2.10 0.00 0.00 70.33 68.04 2h3i n THR 122 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2h3i s GLY 123 N -0.92 1.87 0.02 3.38 0.00 -1.26 -5.08 107.32 105.34 2h3i s GLY 123 Ca 0.68 0.17 -0.04 0.00 0.00 0.00 0.00 44.72 45.53 2h3i s GLY 123 CO 0.53 0.47 0.06 -1.31 0.00 0.00 0.00 173.10 172.85 2h3i s ASN 124 N -3.42 0.17 -0.12 1.64 0.01 -1.26 -5.11 114.94 106.85 2h3i s ASN 124 Ca 0.59 -0.44 -0.29 0.00 -0.71 0.00 0.00 52.86 52.01 2h3i s ASN 124 Cb -0.13 0.18 -0.05 0.00 0.41 0.00 0.00 41.25 41.65 2h3i s ASN 124 CO 0.45 -0.40 1.75 0.54 -1.51 0.00 0.00 177.10 177.94 2h3i s ASN 125 N -1.71 6.40 0.00 -1.22 4.22 -1.26 -4.99 114.94 116.39 2h3i s ASN 125 Ca -0.11 2.05 0.06 0.00 -2.14 0.00 0.00 52.86 52.72 2h3i s ASN 125 Cb -0.06 -2.53 -0.02 0.00 1.28 0.00 0.00 41.25 39.93 2h3i s ASN 125 CO -0.02 -1.18 -0.19 -0.55 -2.04 0.00 0.00 177.10 173.13 2h3i s SER 126 N 4.37 2.27 0.01 3.54 0.15 -1.26 -5.14 113.70 117.64 2h3i s SER 126 Ca 0.78 -0.39 0.08 0.00 0.70 0.00 0.00 55.95 57.12 2h3i s SER 126 Cb -0.32 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 63.74 2h3i s SER 126 CO 0.32 0.21 -0.25 -1.10 1.20 0.00 0.00 173.24 173.62 2h3i s GLN 127 N -0.66 1.86 -0.17 5.44 -0.21 -1.26 -5.12 119.66 119.53 2h3i s GLN 127 Ca 0.07 -0.97 -0.13 0.00 0.02 0.00 0.00 55.36 54.36 2h3i s GLN 127 Cb -0.08 -1.90 -0.05 0.00 1.00 0.00 0.00 33.01 31.99 2h3i s GLN 127 CO -0.00 0.51 0.24 0.08 -2.12 0.00 0.00 175.29 174.00 2h3i s VAL 128 N -0.68 5.34 -0.28 1.09 1.01 -1.26 -5.06 120.40 120.55 2h3i s VAL 128 Ca 0.10 0.44 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 2h3i s VAL 128 Cb -0.10 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 32.83 2h3i s VAL 128 CO 0.00 0.41 0.97 -0.44 0.00 0.00 0.00 175.10 176.04 2h3i s SER 129 N 0.40 -0.52 -0.44 3.32 0.01 -1.26 -5.10 113.70 110.11 2h3i s SER 129 Ca 0.14 0.94 0.07 0.00 1.31 0.00 0.00 55.95 58.41 2h3i s SER 129 Cb -0.12 1.05 0.24 0.00 0.21 0.00 0.00 66.02 67.39 2h3i s SER 129 CO 0.02 -0.16 0.53 0.00 0.41 0.00 0.00 173.24 174.05 2h3i n GLN 130 N 2.83 0.98 -0.04 12.44 6.02 -1.26 -4.97 117.38 133.38 2h3i n GLN 130 Ca -0.15 -3.50 -0.08 0.00 -0.01 0.00 0.00 57.00 53.27 2h3i n GLN 130 Cb 0.57 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 30.33 2h3i n GLN 130 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 177.06 175.14 2h3i h ASN 131 N 4.28 -0.33 0.00 1.08 2.35 -2.06 -3.58 115.58 117.33 2h3i h ASN 131 Ca 0.12 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2h3i h ASN 131 Cb 0.84 0.19 0.00 0.00 0.05 0.00 0.00 38.32 39.40 2h3i h ASN 131 CO 0.52 -0.13 0.00 0.00 -1.65 0.00 0.00 177.43 176.17