#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 2.22 -2.68 4.61 0.00 -1.26 -5.03 120.51 118.38 2h3i n ALA 3 Ca 0.00 -3.03 -0.02 0.00 0.00 0.00 0.00 53.44 50.38 2h3i n ALA 3 Cb 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.50 2h3i n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2h3i n ARG 4 N 0.12 -2.95 -4.28 0.00 1.74 -1.26 -5.05 116.66 104.99 2h3i n ARG 4 Ca 0.16 2.45 -0.25 0.00 -0.77 0.00 0.00 57.85 59.45 2h3i n ARG 4 Cb 0.73 -5.22 -0.08 0.00 -1.02 0.00 0.00 32.46 26.87 2h3i n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2h3i s ALA 5 N -1.85 3.09 0.31 7.54 0.00 -1.26 -5.10 121.76 124.49 2h3i s ALA 5 Ca 0.08 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.20 2h3i s ALA 5 Cb -0.02 -0.79 -0.10 0.00 0.00 0.00 0.00 23.12 22.20 2h3i s ALA 5 CO 0.73 0.37 1.39 -1.12 0.00 0.00 0.00 175.76 177.13 2h3i s SER 6 N -3.26 6.64 0.00 0.00 0.01 -1.26 -4.90 113.70 110.93 2h3i s SER 6 Ca 0.28 2.76 0.00 0.00 1.31 0.00 0.00 55.95 60.30 2h3i s SER 6 Cb -0.08 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.51 2h3i s SER 6 CO 0.18 -0.66 0.00 0.52 0.41 0.00 0.00 173.24 173.69 2h3i n VAL 7 N 1.25 0.00 -2.71 3.43 0.31 -1.26 -5.06 118.33 114.29 2h3i n VAL 7 Ca 0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.95 2h3i n VAL 7 Cb 0.41 -0.37 -0.06 0.00 -0.91 0.00 0.00 33.84 32.91 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 -3.48 4.61 0.00 7.52 1.43 -1.26 -5.06 118.68 122.44 2h3i s LEU 8 Ca 0.00 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 2h3i s LEU 8 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2h3i s LEU 8 CO 0.00 0.08 0.00 -1.20 0.23 0.00 0.00 176.35 175.46 2h3i n SER 9 N 1.66 0.00 -0.09 2.29 7.64 -1.26 -4.90 113.62 118.96 2h3i n SER 9 Ca -0.01 -0.42 -0.23 0.00 1.01 0.00 0.00 58.87 59.22 2h3i n SER 9 Cb 0.47 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.55 2h3i n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h3i n GLY 10 N 5.00 -0.57 0.24 0.23 0.00 -1.26 -3.23 105.19 105.60 2h3i n GLY 10 Ca 0.00 -0.11 0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 0.15 0.00 0.44 -0.02 0.00 -2.02 -3.20 103.07 98.42 2h3i h GLY 11 Ca -0.50 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.54 2h3i h GLY 11 CO -0.16 0.00 -1.49 -2.09 0.00 0.00 0.00 176.54 172.80 2h3i h GLU 12 N 0.00 0.19 -1.00 4.80 4.57 -1.95 -3.35 114.58 117.83 2h3i h GLU 12 Ca -0.00 -0.33 0.23 0.00 -1.18 0.00 0.00 59.36 58.08 2h3i h GLU 12 Cb 0.72 0.12 -0.10 0.00 -0.16 0.00 0.00 28.75 29.33 2h3i h GLU 12 CO 0.01 1.16 0.62 1.25 -1.18 0.00 0.00 179.01 180.87 2h3i h LEU 13 N -0.38 0.63 -0.91 1.64 6.46 -1.58 0.25 115.31 121.42 2h3i h LEU 13 Ca -0.34 0.10 -0.03 0.00 -0.12 0.00 0.00 57.88 57.49 2h3i h LEU 13 Cb 1.71 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 41.59 2h3i h LEU 13 CO 0.01 0.17 0.41 0.44 -0.62 0.00 0.00 178.44 178.85 2h3i h ASP 14 N 0.58 1.08 -0.11 1.25 5.19 -1.70 -2.64 116.42 120.08 2h3i h ASP 14 Ca 0.59 -0.12 -0.17 0.00 -0.62 0.00 0.00 57.03 56.71 2h3i h ASP 14 Cb 1.18 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.41 2h3i h ASP 14 CO -0.36 0.90 -0.52 0.11 -3.12 0.00 0.00 179.24 176.25 2h3i h LYS 15 N 1.19 0.69 -0.91 3.56 6.56 -0.71 -2.75 116.57 124.20 2h3i h LYS 15 Ca 0.29 -0.42 0.13 0.00 -1.06 0.00 0.00 60.65 59.60 2h3i h LYS 15 Cb 0.10 0.04 -0.07 0.00 -0.57 0.00 0.00 32.23 31.73 2h3i h LYS 15 CO -0.04 1.04 0.59 2.35 -2.06 0.00 0.00 179.45 181.32 2h3i h TRP 16 N 0.53 0.90 0.00 -1.35 2.91 -0.80 0.27 115.95 118.42 2h3i h TRP 16 Ca 0.02 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.06 2h3i h TRP 16 Cb 1.08 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.45 2h3i h TRP 16 CO 0.05 0.34 -0.30 0.39 -1.03 0.00 0.00 178.44 177.90 2h3i n GLU 17 N -4.57 0.12 0.00 2.65 1.02 -1.12 -3.34 120.64 115.40 2h3i n GLU 17 Ca 0.18 0.06 0.13 0.00 -0.02 0.00 0.00 57.16 57.51 2h3i n GLU 17 Cb 0.43 -1.60 0.43 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.79 1.22 -3.34 3.49 3.00 0.90 -4.18 118.16 117.46 2h3i n LYS 18 Ca 0.05 -0.72 -0.38 0.00 -0.00 0.00 0.00 58.31 57.26 2h3i n LYS 18 Cb 0.38 -1.49 -0.06 0.00 0.00 0.00 0.00 35.03 33.87 2h3i n LYS 18 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2h3i s ILE 19 N -2.28 5.05 0.87 3.15 1.01 -0.78 -4.97 121.20 123.25 2h3i s ILE 19 Ca 0.30 1.00 -0.12 0.00 0.00 0.00 0.00 60.65 61.83 2h3i s ILE 19 Cb 0.20 -3.82 0.11 0.00 0.01 0.00 0.00 42.46 38.96 2h3i s ILE 19 CO 0.44 0.43 1.15 -0.13 0.00 0.00 0.00 174.94 176.83 2h3i s ARG 20 N -0.15 1.50 -0.25 2.79 0.52 -1.26 -0.79 118.95 121.30 2h3i s ARG 20 Ca 0.27 0.26 -0.05 0.00 -0.52 0.00 0.00 55.73 55.68 2h3i s ARG 20 Cb -0.17 -1.88 -0.16 0.00 0.52 0.00 0.00 34.95 33.26 2h3i s ARG 20 CO 0.13 -1.95 -0.20 1.28 0.02 0.00 0.00 175.30 174.58 2h3i n LEU 21 N -3.59 2.54 -4.28 2.53 4.77 -0.16 -3.27 117.00 115.55 2h3i n LEU 21 Ca 0.07 0.08 -0.17 0.00 -0.03 0.00 0.00 56.01 55.97 2h3i n LEU 21 Cb 0.60 -0.90 -0.10 0.00 -2.33 0.00 0.00 43.42 40.68 2h3i n LEU 21 CO 0.57 0.78 -0.43 -0.13 -1.33 0.00 0.00 177.39 176.84 2h3i s ARG 22 N -2.51 1.14 0.00 3.23 3.00 -1.26 -4.07 118.95 118.48 2h3i s ARG 22 Ca -0.35 -1.43 -0.30 0.00 0.00 0.00 0.00 55.73 53.65 2h3i s ARG 22 Cb 0.11 -0.87 -0.06 0.00 0.00 0.00 0.00 34.95 34.13 2h3i s ARG 22 CO 0.58 0.14 1.45 -1.25 0.00 0.00 0.00 175.30 176.21 2h3i s PRO 23 N -3.38 4.26 -0.08 3.54 0.04 -1.26 -2.59 135.00 135.54 2h3i s PRO 23 Ca 0.16 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2h3i s PRO 23 Cb -0.01 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2h3i s PRO 23 CO 0.03 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.87 2h3i n GLY 24 N 3.72 0.45 1.01 0.56 0.00 -1.26 -5.04 105.19 104.63 2h3i n GLY 24 Ca 0.14 -0.87 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.88 2.46 0.00 -0.02 0.00 -1.07 -5.06 105.19 98.63 2h3i n GLY 25 Ca -0.01 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.83 2h3i n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h3i n LYS 26 N -1.08 0.59 -2.91 1.61 5.02 -1.26 -4.99 118.16 115.14 2h3i n LYS 26 Ca 0.02 -0.26 -0.37 0.00 -2.02 0.00 0.00 58.31 55.68 2h3i n LYS 26 Cb 0.16 -0.72 -0.06 0.00 -0.02 0.00 0.00 35.03 34.39 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2h3i s LYS 27 N -0.16 4.51 0.10 1.97 1.02 -1.26 -5.00 119.74 120.92 2h3i s LYS 27 Ca 0.00 1.18 0.00 0.00 0.02 0.00 0.00 55.97 57.18 2h3i s LYS 27 Cb 0.00 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 2h3i s LYS 27 CO 0.00 0.39 0.04 1.04 -0.92 0.00 0.00 175.35 175.90 2h3i n GLN 28 N 0.89 1.57 -3.94 1.68 3.00 -1.26 -0.99 117.38 118.33 2h3i n GLN 28 Ca -0.01 -0.65 -0.32 0.00 -0.01 0.00 0.00 57.00 56.01 2h3i n GLN 28 Cb 0.50 0.13 -0.05 0.00 0.00 0.00 0.00 30.24 30.82 2h3i n GLN 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2h3i s TYR 29 N -0.93 3.48 0.19 1.08 2.02 0.03 -4.55 117.35 118.66 2h3i s TYR 29 Ca 0.03 0.26 -0.05 0.00 -0.37 0.00 0.00 57.07 56.94 2h3i s TYR 29 Cb -0.00 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 2h3i s TYR 29 CO 0.02 0.60 0.22 0.21 -1.57 0.00 0.00 175.55 175.03 2h3i s LYS 30 N -2.24 1.20 0.27 -0.62 2.20 -1.26 -4.06 119.74 115.23 2h3i s LYS 30 Ca 0.31 -1.41 -0.03 0.00 -0.36 0.00 0.00 55.97 54.48 2h3i s LYS 30 Cb -0.13 0.33 0.57 0.00 -1.51 0.00 0.00 37.83 37.10 2h3i s LYS 30 CO 0.23 -0.42 1.62 1.25 -0.36 0.00 0.00 175.35 177.67 2h3i h LEU 31 N 2.58 -0.33 -0.85 5.43 5.85 -1.99 0.16 115.31 126.17 2h3i h LEU 31 Ca -0.33 0.22 0.30 0.00 0.84 0.00 0.00 57.88 58.92 2h3i h LEU 31 Cb 1.23 0.37 -0.15 0.00 0.37 0.00 0.00 40.66 42.48 2h3i h LEU 31 CO 0.50 -0.22 0.27 1.17 -0.34 0.00 0.00 178.44 179.81 2h3i n LYS 32 N -5.37 -0.06 -0.03 1.25 4.81 -1.26 0.83 118.16 118.34 2h3i n LYS 32 Ca 0.18 1.21 -0.13 0.00 -0.87 0.00 0.00 58.31 58.70 2h3i n LYS 32 Cb 0.59 -2.07 -0.09 0.00 0.02 0.00 0.00 35.03 33.49 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 0.17 -0.98 5.64 3.86 -1.09 -0.58 115.15 122.17 2h3i h HIS 33 Ca 0.63 -0.05 0.23 0.00 -1.16 0.00 0.00 60.37 60.02 2h3i h HIS 33 Cb 1.54 -0.04 -0.08 0.00 1.06 0.00 0.00 27.41 29.89 2h3i h HIS 33 CO -0.19 0.58 0.63 0.82 0.86 0.00 0.00 177.93 180.64 2h3i h ILE 34 N -0.29 0.62 0.05 2.45 2.04 0.42 -0.13 117.51 122.66 2h3i h ILE 34 Ca 0.01 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.64 2h3i h ILE 34 Cb 0.55 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.78 2h3i h ILE 34 CO 0.01 0.08 -0.32 0.58 0.00 0.00 0.00 178.15 178.51 2h3i h VAL 35 N 0.44 1.65 -0.17 1.67 2.07 -1.27 -2.33 116.25 118.31 2h3i h VAL 35 Ca 0.53 -2.31 0.05 0.00 0.82 0.00 0.00 66.70 65.79 2h3i h VAL 35 Cb 1.29 3.19 -0.01 0.00 -1.52 0.00 0.00 31.29 34.24 2h3i h VAL 35 CO -0.24 0.63 0.24 -0.25 0.02 0.00 0.00 177.57 177.96 2h3i h TRP 36 N -0.68 0.00 0.00 1.57 7.01 -0.08 -0.07 115.95 123.70 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 1.21 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 28.24 2h3i h TRP 36 CO 0.23 0.00 -0.86 0.00 -2.79 0.00 0.00 178.44 175.02 2h3i h ALA 37 N 1.68 0.17 -0.35 2.65 0.00 -1.11 -3.19 119.26 119.12 2h3i h ALA 37 Ca 0.08 -0.93 0.09 0.00 0.00 0.00 0.00 54.91 54.14 2h3i h ALA 37 Cb 0.56 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2h3i h ALA 37 CO -0.00 0.51 0.25 1.03 0.00 0.00 0.00 179.25 181.04 2h3i h SER 38 N -1.00 0.07 0.98 0.00 0.87 -0.93 0.35 113.55 113.88 2h3i h SER 38 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 2h3i h SER 38 Cb 1.09 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 2h3i h SER 38 CO -0.13 0.04 -0.23 0.54 -0.53 0.00 0.00 176.83 176.52 2h3i n ARG 39 N -4.45 0.12 -0.06 2.24 1.74 -0.08 -3.84 116.66 112.33 2h3i n ARG 39 Ca 0.05 0.07 -0.22 0.00 -0.77 0.00 0.00 57.85 56.98 2h3i n ARG 39 Cb 0.37 -1.61 -0.13 0.00 -1.02 0.00 0.00 32.46 30.08 2h3i n ARG 39 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2h3i n GLU 40 N -1.80 0.67 -0.22 5.56 4.07 0.10 -4.34 120.64 124.69 2h3i n GLU 40 Ca 0.06 0.32 0.02 0.00 -0.06 0.00 0.00 57.16 57.50 2h3i n GLU 40 Cb 0.38 -1.66 0.13 0.00 -0.06 0.00 0.00 31.44 30.23 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 -0.33 -0.02 -1.94 4.31 3.38 -1.10 0.25 115.31 119.86 2h3i h LEU 41 Ca -0.46 0.13 0.26 0.00 0.09 0.00 0.00 57.88 57.89 2h3i h LEU 41 Cb 1.78 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.67 2h3i h LEU 41 CO -0.07 -0.02 0.65 -0.33 0.09 0.00 0.00 178.44 178.76 2h3i h GLU 42 N 0.25 0.05 -0.01 1.13 5.08 -1.53 0.43 114.58 119.98 2h3i h GLU 42 Ca 0.35 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.51 2h3i h GLU 42 Cb 0.56 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2h3i h GLU 42 CO -0.45 0.03 -0.87 -0.09 -1.00 0.00 0.00 179.01 176.62 2h3i h ARG 43 N 0.05 0.29 -0.99 2.33 2.43 -0.71 -3.15 114.38 114.63 2h3i h ARG 43 Ca 0.44 -0.30 -0.23 0.00 -0.81 0.00 0.00 59.98 59.07 2h3i h ARG 43 Cb 1.68 0.08 -0.14 0.00 -0.42 0.00 0.00 29.97 31.17 2h3i h ARG 43 CO -0.03 1.00 0.30 1.19 -1.51 0.00 0.00 179.97 180.92 2h3i n PHE 44 N -3.71 1.45 -1.59 2.20 3.72 0.13 -4.82 117.46 114.85 2h3i n PHE 44 Ca -0.05 -1.10 -0.17 0.00 -0.05 0.00 0.00 57.45 56.08 2h3i n PHE 44 Cb 0.80 -0.57 -0.07 0.00 -0.94 0.00 0.00 39.48 38.70 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 -0.26 -0.30 -3.09 4.37 0.00 -1.08 -4.93 120.51 115.22 2h3i n ALA 45 Ca 0.28 0.27 -0.37 0.00 0.00 0.00 0.00 53.44 53.61 2h3i n ALA 45 Cb 1.05 -1.75 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 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 -2.50 4.16 0.29 0.00 1.01 0.14 -4.99 120.40 118.51 2h3i s VAL 46 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 2h3i s VAL 46 Cb 0.00 -3.09 -0.12 0.00 0.00 0.00 0.00 36.38 33.17 2h3i s VAL 46 CO 0.00 0.14 1.58 0.59 0.00 0.00 0.00 175.10 177.41 2h3i n ASN 47 N 4.90 3.76 0.00 3.32 4.13 -1.26 -2.15 115.26 127.96 2h3i n ASN 47 Ca -0.15 1.14 0.07 0.00 1.68 0.00 0.00 54.58 57.33 2h3i n ASN 47 Cb 0.49 -1.58 0.40 0.00 -1.54 0.00 0.00 39.78 37.55 2h3i n ASN 47 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2h3i n PRO 48 N 2.18 0.28 0.00 3.52 -0.04 -1.26 -2.49 135.00 137.20 2h3i n PRO 48 Ca 0.09 0.11 0.14 0.00 -0.04 0.00 0.00 63.50 63.80 2h3i n PRO 48 Cb 0.36 -1.50 0.65 0.00 -0.04 0.00 0.00 33.50 32.97 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 -1.31 0.02 0.55 0.00 -1.26 -3.38 105.19 99.77 2h3i n GLY 49 Ca 0.08 -0.16 0.00 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 -1.33 0.04 0.00 0.99 4.77 -1.04 -2.89 117.00 117.54 2h3i n LEU 50 Ca 0.11 -0.02 0.11 0.00 -0.03 0.00 0.00 56.01 56.17 2h3i n LEU 50 Cb 0.29 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.26 2h3i n LEU 50 CO 0.26 0.01 -0.24 0.18 -1.33 0.00 0.00 177.39 176.27 2h3i n LEU 51 N -0.48 0.64 -2.71 2.23 4.77 -1.22 -3.40 117.00 116.84 2h3i n LEU 51 Ca 0.00 -0.28 -0.38 0.00 -0.03 0.00 0.00 56.01 55.32 2h3i n LEU 51 Cb 0.01 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.13 2h3i n LEU 51 CO 0.00 0.15 1.49 -1.84 -1.33 0.00 0.00 177.39 175.85 2h3i n GLU 52 N -1.79 2.75 -3.23 3.23 0.28 -1.14 -4.83 120.64 115.91 2h3i n GLU 52 Ca 0.01 -3.47 0.04 0.00 -0.16 0.00 0.00 57.16 53.59 2h3i n GLU 52 Cb 0.41 -2.28 -0.03 0.00 1.43 0.00 0.00 31.44 30.98 2h3i n GLU 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2h3i s THR 53 N -5.00 -0.23 0.52 3.84 -1.32 -1.26 -4.99 115.64 107.20 2h3i s THR 53 Ca 0.56 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.31 2h3i s THR 53 Cb 0.46 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.88 2h3i s THR 53 CO -0.28 0.00 1.94 0.28 -2.21 0.00 0.00 174.62 174.35 2h3i h SER 54 N 7.47 0.04 1.16 8.08 0.02 -1.89 0.38 113.55 128.80 2h3i h SER 54 Ca -0.14 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.67 2h3i h SER 54 Cb 1.14 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.65 2h3i h SER 54 CO 0.00 0.02 -0.70 -0.33 -1.14 0.00 0.00 176.83 174.68 2h3i h GLU 55 N 0.04 0.00 -0.39 3.45 4.39 -1.95 -3.31 114.58 116.81 2h3i h GLU 55 Ca 0.34 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 2h3i h GLU 55 Cb 1.31 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 2h3i h GLU 55 CO -0.02 0.70 0.22 0.78 -1.16 0.00 0.00 179.01 179.53 2h3i h GLY 56 N 3.02 0.59 0.28 -3.84 0.00 -0.47 -3.12 103.07 99.52 2h3i h GLY 56 Ca -0.01 -0.26 0.02 0.00 0.00 0.00 0.00 47.33 47.09 2h3i h GLY 56 CO 0.09 0.25 -0.39 0.00 0.00 0.00 0.00 176.54 176.49 2h3i h ARG 58 N -0.59 0.09 -0.00 0.00 2.47 -1.67 0.65 114.38 115.32 2h3i h ARG 58 Ca 0.04 -0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.60 2h3i h ARG 58 Cb 0.64 -0.02 0.01 0.00 -1.65 0.00 0.00 29.97 28.95 2h3i h ARG 58 CO -0.26 0.06 -0.58 0.37 0.56 0.00 0.00 179.97 180.12 2h3i h GLN 59 N 0.09 0.40 0.45 0.04 -0.00 -1.15 -3.14 115.11 111.80 2h3i h GLN 59 Ca 0.82 -0.43 -0.01 0.00 -0.00 0.00 0.00 58.65 59.03 2h3i h GLN 59 Cb 2.53 0.12 -0.02 0.00 0.00 0.00 0.00 27.48 30.11 2h3i h GLN 59 CO -0.44 1.10 -0.39 0.82 0.00 0.00 0.00 178.83 179.92 2h3i h ILE 60 N -0.12 0.21 -0.14 2.39 2.04 0.13 -1.13 117.51 120.90 2h3i h ILE 60 Ca -0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.83 2h3i h ILE 60 Cb 1.30 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2h3i h ILE 60 CO 0.12 0.00 0.31 -0.07 0.00 0.00 0.00 178.15 178.50 2h3i h LEU 61 N -0.84 0.00 -0.92 1.44 3.38 -1.27 0.43 115.31 117.54 2h3i h LEU 61 Ca -0.04 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 2h3i h LEU 61 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2h3i h LEU 61 CO -0.03 0.00 -0.23 1.23 0.09 0.00 0.00 178.44 179.50 2h3i h GLY 62 N 0.00 0.57 0.86 0.83 0.00 -1.14 0.34 103.07 104.52 2h3i h GLY 62 Ca 0.06 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.81 2h3i h GLY 62 CO -0.00 0.42 -0.37 1.46 0.00 0.00 0.00 176.54 178.05 2h3i h GLN 63 N 0.47 0.52 0.00 4.80 4.20 -0.83 -3.14 115.11 121.13 2h3i h GLN 63 Ca 0.07 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.42 2h3i h GLN 63 Cb 0.66 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.49 2h3i h GLN 63 CO 0.05 0.97 0.00 -0.07 -0.67 0.00 0.00 178.83 179.11 2h3i h LEU 64 N 0.14 0.00 0.26 1.46 3.38 -1.49 -3.35 115.31 115.72 2h3i h LEU 64 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h3i h LEU 64 Cb 0.98 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 2h3i h LEU 64 CO 0.08 0.00 -0.51 1.56 0.09 0.00 0.00 178.44 179.66 2h3i h GLN 65 N 0.00 -0.81 0.00 1.13 4.20 -0.27 0.17 115.11 119.54 2h3i h GLN 65 Ca 0.00 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.76 2h3i h GLN 65 Cb 0.81 0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.77 2h3i h GLN 65 CO 0.00 -0.54 0.00 -0.35 -0.67 0.00 0.00 178.83 177.27 2h3i n PRO 66 N -5.44 0.45 -0.00 1.46 -0.04 -1.25 -1.86 135.00 128.31 2h3i n PRO 66 Ca -0.10 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.45 2h3i n PRO 66 Cb 0.42 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.30 2h3i n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2h3i n SER 67 N -1.04 0.86 -0.07 3.54 7.64 -0.17 -4.48 113.62 119.91 2h3i n SER 67 Ca 0.11 -0.66 0.11 0.00 1.01 0.00 0.00 58.87 59.44 2h3i n SER 67 Cb 0.06 1.12 0.50 0.00 -1.01 0.00 0.00 64.21 64.88 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 0.37 -0.48 -3.43 3.38 0.01 0.25 115.31 115.41 2h3i h LEU 68 Ca 0.00 0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2h3i h LEU 68 Cb 0.37 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 40.96 2h3i h LEU 68 CO 0.00 0.23 -0.13 -0.61 0.09 0.00 0.00 178.44 178.02 2h3i h GLN 69 N 0.41 -0.02 -1.36 1.13 -0.00 -1.78 -3.20 115.11 110.29 2h3i h GLN 69 Ca 0.26 0.00 -0.44 0.00 -0.00 0.00 0.00 58.65 58.47 2h3i h GLN 69 Cb 0.48 0.00 -0.41 0.00 0.00 0.00 0.00 27.48 27.56 2h3i h GLN 69 CO -0.07 -0.01 -1.07 0.25 0.00 0.00 0.00 178.83 177.93 2h3i n THR 70 N -5.36 1.21 -3.30 2.39 -2.24 -0.83 -5.08 114.28 101.07 2h3i n THR 70 Ca 0.04 -3.87 -0.39 0.00 -2.27 0.00 0.00 64.05 57.56 2h3i n THR 70 Cb 0.26 -0.02 -0.08 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.11 1.93 1.10 3.38 0.00 0.83 -5.04 107.32 106.41 2h3i s GLY 71 Ca 0.35 -0.61 -0.20 0.00 0.00 0.00 0.00 44.72 44.26 2h3i s GLY 71 CO -0.04 1.07 -0.18 -1.14 0.00 0.00 0.00 173.10 172.81 2h3i n SER 72 N 5.18 -2.52 -0.32 1.64 3.41 -1.26 -4.31 113.62 115.43 2h3i n SER 72 Ca -0.06 -0.15 0.30 0.00 -0.26 0.00 0.00 58.87 58.70 2h3i n SER 72 Cb 0.50 -0.87 0.65 0.00 -0.26 0.00 0.00 64.21 64.23 2h3i n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2h3i h GLU 73 N -2.01 0.16 -0.55 4.33 4.81 -1.99 0.32 114.58 119.65 2h3i h GLU 73 Ca -0.49 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.68 2h3i h GLU 73 Cb 1.31 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 2h3i h GLU 73 CO 0.34 0.11 0.17 1.49 -0.73 0.00 0.00 179.01 180.38 2h3i h GLU 74 N 0.16 0.85 -0.38 1.92 4.81 -1.99 -0.58 114.58 119.38 2h3i h GLU 74 Ca 0.58 -0.19 -0.08 0.00 -0.13 0.00 0.00 59.36 59.54 2h3i h GLU 74 Cb 1.95 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.19 2h3i h GLU 74 CO -0.14 0.78 -0.11 1.25 -0.73 0.00 0.00 179.01 180.06 2h3i h LEU 75 N 0.76 0.65 0.13 1.64 6.46 -0.63 -1.94 115.31 122.38 2h3i h LEU 75 Ca 0.18 -0.18 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2h3i h LEU 75 Cb 0.29 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.04 2h3i h LEU 75 CO -0.00 0.79 -0.06 0.03 -0.62 0.00 0.00 178.44 178.58 2h3i h ARG 76 N 0.61 -0.16 -0.04 1.25 3.08 -1.13 -2.30 114.38 115.68 2h3i h ARG 76 Ca 0.11 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.18 2h3i h ARG 76 Cb 0.54 0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 2h3i h ARG 76 CO 0.03 0.25 0.05 0.77 -1.07 0.00 0.00 179.97 180.01 2h3i h SER 77 N -0.64 0.00 0.27 7.04 0.02 -1.08 -2.54 113.55 116.62 2h3i h SER 77 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 2h3i h SER 77 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 2h3i h SER 77 CO 0.03 0.00 -0.13 0.25 -1.14 0.00 0.00 176.83 175.84 2h3i h LEU 78 N 0.00 -0.31 -0.84 5.07 5.85 -1.25 -3.07 115.31 120.76 2h3i h LEU 78 Ca 0.02 0.01 0.22 0.00 0.84 0.00 0.00 57.88 58.97 2h3i h LEU 78 Cb 0.12 0.08 -0.14 0.00 0.37 0.00 0.00 40.66 41.09 2h3i h LEU 78 CO -0.00 0.07 0.16 0.22 -0.34 0.00 0.00 178.44 178.55 2h3i h TYR 79 N -0.95 0.22 0.14 1.25 3.20 -1.23 0.64 116.97 120.24 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 0.28 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 2h3i h TYR 79 CO 0.01 -0.22 -0.20 -0.91 -1.64 0.00 0.00 178.16 175.20 2h3i h ASN 80 N 0.17 -0.57 0.66 -2.11 4.21 -1.56 0.73 115.58 117.11 2h3i h ASN 80 Ca 0.51 0.05 -0.03 0.00 1.21 0.00 0.00 56.30 58.04 2h3i h ASN 80 Cb 0.99 0.20 0.01 0.00 -1.12 0.00 0.00 38.32 38.39 2h3i h ASN 80 CO -0.66 -0.25 -0.32 0.74 -1.29 0.00 0.00 177.43 175.65 2h3i h THR 81 N -0.36 0.35 -0.93 2.81 2.02 -1.27 -2.84 112.91 112.68 2h3i h THR 81 Ca -0.02 -0.03 0.27 0.00 0.77 0.00 0.00 66.41 67.41 2h3i h THR 81 Cb 0.33 0.36 -0.16 0.00 -1.74 0.00 0.00 68.15 66.93 2h3i h THR 81 CO -0.06 0.00 0.18 0.40 0.37 0.00 0.00 175.52 176.42 2h3i h ILE 82 N -0.90 0.16 -0.16 3.11 1.08 0.25 0.23 117.51 121.29 2h3i h ILE 82 Ca -0.09 -0.03 0.04 0.00 -0.39 0.00 0.00 64.86 64.39 2h3i h ILE 82 Cb 0.68 0.05 -0.04 0.00 -3.07 0.00 0.00 36.82 34.44 2h3i h ILE 82 CO 0.15 0.02 -0.12 0.00 -0.69 0.00 0.00 178.15 177.51 2h3i h ALA 83 N 1.88 0.00 -0.94 1.87 0.00 -0.61 -1.90 119.26 119.57 2h3i h ALA 83 Ca 0.60 0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.76 2h3i h ALA 83 Cb 1.29 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 2h3i h ALA 83 CO -0.77 -0.56 0.52 0.28 0.00 0.00 0.00 179.25 178.72 2h3i h VAL 84 N -0.12 0.65 -0.02 0.00 2.07 -0.42 -1.78 116.25 116.62 2h3i h VAL 84 Ca 0.10 -0.22 0.03 0.00 0.82 0.00 0.00 66.70 67.43 2h3i h VAL 84 Cb 0.27 -0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 29.94 2h3i h VAL 84 CO -0.23 0.12 -0.43 0.25 0.02 0.00 0.00 177.57 177.30 2h3i h LEU 85 N 0.63 -1.30 -0.52 2.57 5.85 -1.00 0.85 115.31 122.39 2h3i h LEU 85 Ca 0.55 0.16 0.05 0.00 0.84 0.00 0.00 57.88 59.48 2h3i h LEU 85 Cb 0.90 0.51 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 2h3i h LEU 85 CO -0.42 -0.46 0.26 0.22 -0.34 0.00 0.00 178.44 177.70 2h3i h TYR 86 N -0.57 0.47 0.00 1.25 3.20 -1.28 0.80 116.97 120.83 2h3i h TYR 86 Ca 0.05 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.94 2h3i h TYR 86 Cb 0.65 -0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2h3i h TYR 86 CO -0.44 0.22 0.00 0.00 -1.64 0.00 0.00 178.16 176.30 2h3i n VAL 88 N -3.01 1.70 0.08 0.00 0.31 0.23 0.09 118.33 117.74 2h3i n VAL 88 Ca -0.02 -0.72 -0.10 0.00 -0.01 0.00 0.00 64.34 63.49 2h3i n VAL 88 Cb 0.12 -1.41 -0.06 0.00 -0.91 0.00 0.00 33.84 31.58 2h3i n VAL 88 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 2h3i h HIS 89 N 0.04 0.29 -0.27 3.52 -0.00 -0.23 -3.15 115.15 115.35 2h3i h HIS 89 Ca -0.37 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 59.82 2h3i h HIS 89 Cb 2.03 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 29.41 2h3i h HIS 89 CO 0.04 1.05 0.00 1.04 -0.00 0.00 0.00 177.93 180.07 2h3i n GLN 90 N -3.58 2.04 -2.69 2.45 1.13 0.07 -4.87 117.38 111.94 2h3i n GLN 90 Ca -0.04 -1.14 -0.21 0.00 -1.94 0.00 0.00 57.00 53.67 2h3i n GLN 90 Cb 0.88 -1.47 0.01 0.00 0.11 0.00 0.00 30.24 29.77 2h3i n GLN 90 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2h3i n ARG 91 N 0.31 -3.14 -3.04 -1.09 1.74 -1.19 -4.94 116.66 105.31 2h3i n ARG 91 Ca 0.10 0.95 -0.42 0.00 -0.77 0.00 0.00 57.85 57.71 2h3i n ARG 91 Cb 0.41 -5.71 -0.06 0.00 -1.02 0.00 0.00 32.46 26.08 2h3i n ARG 91 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2h3i s ILE 92 N -3.09 4.78 -0.52 0.55 1.01 0.11 -5.01 121.20 119.02 2h3i s ILE 92 Ca 0.14 0.49 -0.28 0.00 0.00 0.00 0.00 60.65 61.00 2h3i s ILE 92 Cb -0.06 -4.20 0.03 0.00 0.01 0.00 0.00 42.46 38.24 2h3i s ILE 92 CO 0.17 -0.51 1.13 1.51 0.00 0.00 0.00 174.94 177.24 2h3i s ASP 93 N 1.95 6.52 0.34 3.58 -4.77 -1.26 -4.39 116.67 118.63 2h3i s ASP 93 Ca 0.27 0.23 0.07 0.00 -3.30 0.00 0.00 52.55 49.82 2h3i s ASP 93 Cb -0.13 -2.54 -0.02 0.00 -1.09 0.00 0.00 42.92 39.14 2h3i s ASP 93 CO 0.18 -1.33 0.37 0.68 0.70 0.00 0.00 175.17 175.77 2h3i s VAL 94 N 4.58 3.75 -0.64 2.11 -7.23 -1.26 -5.03 120.40 116.68 2h3i s VAL 94 Ca 0.44 -1.21 0.19 0.00 -1.81 0.00 0.00 61.98 59.59 2h3i s VAL 94 Cb -0.08 -3.28 -0.23 0.00 0.56 0.00 0.00 36.38 33.35 2h3i s VAL 94 CO 0.28 -0.16 0.69 0.29 -0.31 0.00 0.00 175.10 175.89 2h3i n LYS 95 N -1.49 0.71 -3.80 4.82 4.76 -1.26 -4.91 118.16 116.99 2h3i n LYS 95 Ca -0.01 -0.05 0.04 0.00 -2.87 0.00 0.00 58.31 55.42 2h3i n LYS 95 Cb 0.59 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 2h3i n LYS 95 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2h3i s ASP 96 N -3.22 -0.00 0.00 4.39 1.47 -1.26 -4.39 116.67 113.66 2h3i s ASP 96 Ca 0.03 -0.02 0.08 0.00 1.18 0.00 0.00 52.55 53.82 2h3i s ASP 96 Cb 0.14 0.02 0.41 0.00 -0.34 0.00 0.00 42.92 43.14 2h3i s ASP 96 CO 0.79 -0.03 1.04 0.41 0.68 0.00 0.00 175.17 178.05 2h3i n THR 97 N -0.74 0.56 -0.07 2.11 -1.04 -1.20 -2.57 114.28 111.32 2h3i n THR 97 Ca -0.02 0.14 -0.04 0.00 -2.04 0.00 0.00 64.05 62.09 2h3i n THR 97 Cb 0.61 -1.02 -0.01 0.00 -1.82 0.00 0.00 70.33 68.09 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 -1.18 0.42 0.30 -2.82 0.00 -1.26 -3.46 118.16 110.16 2h3i n LYS 98 Ca 0.04 0.50 0.19 0.00 0.00 0.00 0.00 58.31 59.04 2h3i n LYS 98 Cb 0.05 -1.62 1.00 0.00 0.00 0.00 0.00 35.03 34.46 2h3i n LYS 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2h3i h GLU 99 N -0.93 0.00 0.01 1.64 4.57 -1.92 -1.98 114.58 115.97 2h3i h GLU 99 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2h3i h GLU 99 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2h3i h GLU 99 CO 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 179.01 177.78 2h3i h ALA 100 N 1.83 -0.00 -0.89 2.92 0.00 -1.66 -2.90 119.26 118.56 2h3i h ALA 100 Ca 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 54.91 54.49 2h3i h ALA 100 Cb 0.16 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2h3i h ALA 100 CO 0.00 0.00 0.56 1.25 0.00 0.00 0.00 179.25 181.06 2h3i h LEU 101 N -0.90 0.88 -0.50 0.00 7.12 -1.40 -2.06 115.31 118.45 2h3i h LEU 101 Ca -0.01 0.01 -0.06 0.00 0.13 0.00 0.00 57.88 57.96 2h3i h LEU 101 Cb 0.99 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 40.93 2h3i h LEU 101 CO 0.01 0.56 0.09 0.44 -0.13 0.00 0.00 178.44 179.42 2h3i h ASP 102 N 1.02 0.79 -0.15 1.25 5.19 -1.59 0.13 116.42 123.06 2h3i h ASP 102 Ca 0.39 -0.25 0.04 0.00 -0.62 0.00 0.00 57.03 56.59 2h3i h ASP 102 Cb 0.17 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 2h3i h ASP 102 CO -0.17 0.84 0.21 0.11 -3.12 0.00 0.00 179.24 177.11 2h3i h LYS 103 N 0.71 0.00 0.00 3.56 6.56 -1.16 0.26 116.57 126.50 2h3i h LYS 103 Ca 0.15 0.00 -0.24 0.00 -1.06 0.00 0.00 60.65 59.50 2h3i h LYS 103 Cb 0.38 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 32.00 2h3i h LYS 103 CO 0.01 0.00 -1.56 -0.89 -2.06 0.00 0.00 179.45 174.94 2h3i n ILE 104 N -3.59 1.51 -0.28 1.86 5.41 -0.89 -4.07 119.36 119.30 2h3i n ILE 104 Ca 0.01 -0.09 0.01 0.00 1.00 0.00 0.00 62.75 63.68 2h3i n ILE 104 Cb 0.32 -2.09 0.14 0.00 -0.71 0.00 0.00 39.64 37.30 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 -1.00 0.79 -0.25 0.38 4.57 -0.54 -0.35 114.58 118.18 2h3i h GLU 105 Ca -0.37 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 57.81 2h3i h GLU 105 Cb 1.24 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.64 2h3i h GLU 105 CO -0.22 0.52 0.18 1.49 -1.18 0.00 0.00 179.01 179.80 2h3i h GLU 106 N 0.81 0.15 -0.18 1.92 4.81 -0.70 0.28 114.58 121.68 2h3i h GLU 106 Ca 0.37 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.46 2h3i h GLU 106 Cb 0.27 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2h3i h GLU 106 CO -0.21 0.10 -0.45 0.93 -0.73 0.00 0.00 179.01 178.65 2h3i h GLU 107 N 0.15 0.44 0.00 1.92 3.07 -1.21 -3.08 114.58 115.87 2h3i h GLU 107 Ca 0.11 -0.23 -0.18 0.00 -0.50 0.00 0.00 59.36 58.56 2h3i h GLU 107 Cb 0.26 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 2h3i h GLU 107 CO -0.02 0.80 -1.15 1.96 -1.40 0.00 0.00 179.01 179.20 2h3i h GLN 108 N 0.35 0.00 -0.77 2.33 1.08 -0.93 -3.32 115.11 113.85 2h3i h GLN 108 Ca 0.02 0.00 0.13 0.00 -1.45 0.00 0.00 58.65 57.35 2h3i h GLN 108 Cb 0.93 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.31 2h3i h GLN 108 CO 0.08 0.52 0.51 -0.97 -0.95 0.00 0.00 178.83 178.02 2h3i h ASN 109 N 0.00 0.51 -0.16 1.46 -0.73 -0.42 0.13 115.58 116.37 2h3i h ASN 109 Ca -0.11 0.02 0.05 0.00 1.87 0.00 0.00 56.30 58.13 2h3i h ASN 109 Cb 1.65 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 40.16 2h3i h ASN 109 CO 0.07 0.28 0.12 0.50 -0.37 0.00 0.00 177.43 178.03 2h3i h LYS 110 N 0.55 0.00 0.00 6.67 3.11 -1.66 -3.34 116.57 121.90 2h3i h LYS 110 Ca 0.37 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.21 2h3i h LYS 110 Cb 0.68 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.91 2h3i h LYS 110 CO -0.14 0.00 0.00 0.45 -2.81 0.00 0.00 179.45 176.95 2h3i n SER 111 N -4.42 0.00 -2.42 4.20 2.88 0.31 -4.95 113.62 109.21 2h3i n SER 111 Ca 0.01 0.02 -0.11 0.00 -1.33 0.00 0.00 58.87 57.46 2h3i n SER 111 Cb 0.25 -0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 63.49 2h3i n SER 111 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2h3i n LYS 112 N -1.85 -2.27 0.00 -1.46 3.00 -0.28 -4.23 118.16 111.08 2h3i n LYS 112 Ca 0.00 0.55 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 2h3i n LYS 112 Cb 0.00 -5.14 0.00 0.00 0.00 0.00 0.00 35.03 29.89 2h3i n LYS 112 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2h3i n LYS 113 N -2.76 0.00 0.07 1.64 4.76 -1.26 -4.94 118.16 115.67 2h3i n LYS 113 Ca -0.13 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.42 2h3i n LYS 113 Cb 0.60 0.00 0.07 0.00 -1.84 0.00 0.00 35.03 33.86 2h3i n LYS 113 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2h3i n LYS 114 N -0.81 0.41 -0.18 1.97 5.02 -1.26 -3.20 118.16 120.11 2h3i n LYS 114 Ca 0.00 0.07 -0.01 0.00 -2.02 0.00 0.00 58.31 56.35 2h3i n LYS 114 Cb 0.00 -1.71 0.09 0.00 -0.02 0.00 0.00 35.03 33.39 2h3i n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h3i h ALA 115 N 2.33 0.60 -0.53 7.82 0.00 -1.92 -3.35 119.26 124.20 2h3i h ALA 115 Ca 0.00 0.14 -0.31 0.00 0.00 0.00 0.00 54.91 54.74 2h3i h ALA 115 Cb 0.84 0.21 -0.21 0.00 0.00 0.00 0.00 17.79 18.62 2h3i h ALA 115 CO 0.00 -0.34 -0.65 1.04 0.00 0.00 0.00 179.25 179.30 2h3i n GLN 116 N -5.18 0.94 0.24 0.00 6.02 -1.26 -4.97 117.38 113.18 2h3i n GLN 116 Ca 0.07 -2.26 0.09 0.00 -0.01 0.00 0.00 57.00 54.89 2h3i n GLN 116 Cb 0.30 -1.27 0.62 0.00 1.02 0.00 0.00 30.24 30.91 2h3i n GLN 116 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2h3i h GLN 117 N 3.29 0.00 0.00 -1.09 3.07 -1.70 -1.55 115.11 117.14 2h3i h GLN 117 Ca -0.06 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.57 2h3i h GLN 117 Cb 1.04 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.59 2h3i h GLN 117 CO 0.27 0.16 -0.72 0.00 0.09 0.00 0.00 178.83 178.63 2h3i h ALA 118 N 1.84 0.12 -0.49 0.06 0.00 -1.92 -3.36 119.26 115.51 2h3i h ALA 118 Ca -0.00 -0.78 0.14 0.00 0.00 0.00 0.00 54.91 54.27 2h3i h ALA 118 Cb 0.35 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 2h3i h ALA 118 CO 0.02 0.46 0.39 0.00 0.00 0.00 0.00 179.25 180.13 2h3i h ALA 119 N -0.61 2.37 -0.31 0.00 0.00 -1.94 -3.41 119.26 115.35 2h3i h ALA 119 Ca -0.16 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 54.06 2h3i h ALA 119 Cb 0.90 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.61 2h3i h ALA 119 CO -0.10 -0.65 -0.49 0.00 0.00 0.00 0.00 179.25 178.02 2h3i s ALA 120 N -4.88 4.20 -1.77 0.00 0.00 -0.59 -4.72 121.76 114.00 2h3i s ALA 120 Ca -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2h3i s ALA 120 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.24 2h3i s ALA 120 CO 0.67 -0.06 0.00 -3.47 0.00 0.00 0.00 175.76 172.90 2h3i n ASP 121 N -1.33 -5.42 -4.85 0.00 2.03 -1.26 -4.73 116.55 100.99 2h3i n ASP 121 Ca -0.18 0.16 -0.32 0.00 0.52 0.00 0.00 54.79 54.97 2h3i n ASP 121 Cb 0.67 -4.61 -0.03 0.00 -0.72 0.00 0.00 41.12 36.43 2h3i n ASP 121 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2h3i s THR 122 N -2.87 4.61 -0.27 5.18 -4.23 -1.26 -4.94 115.64 111.86 2h3i s THR 122 Ca 0.00 1.05 -0.32 0.00 -1.18 0.00 0.00 61.69 61.24 2h3i s THR 122 Cb 0.00 -3.74 -0.08 0.00 1.34 0.00 0.00 72.50 70.02 2h3i s THR 122 CO 0.00 -0.71 2.19 0.61 -0.54 0.00 0.00 174.62 176.17 2h3i n GLY 123 N -1.67 0.81 1.10 3.99 0.00 -1.26 -4.84 105.19 103.33 2h3i n GLY 123 Ca 0.06 0.85 -0.00 0.00 0.00 0.00 0.00 46.02 46.93 2h3i n GLY 123 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2h3i n ASN 124 N 10.58 -0.43 -4.24 1.61 2.85 -1.26 -5.18 115.26 119.19 2h3i n ASN 124 Ca 0.35 -1.18 -0.22 0.00 -0.11 0.00 0.00 54.58 53.41 2h3i n ASN 124 Cb 0.34 0.69 -0.12 0.00 1.24 0.00 0.00 39.78 41.92 2h3i n ASN 124 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2h3i s ASN 125 N -1.74 2.21 -0.23 1.20 -0.87 -1.26 -5.14 114.94 109.11 2h3i s ASN 125 Ca 0.07 -0.64 -0.36 0.00 -1.57 0.00 0.00 52.86 50.36 2h3i s ASN 125 Cb -0.01 -0.11 0.15 0.00 -0.02 0.00 0.00 41.25 41.26 2h3i s ASN 125 CO 0.01 0.02 1.27 -0.94 -2.57 0.00 0.00 177.10 174.89 2h3i s SER 126 N -1.77 -0.09 0.03 -1.22 1.04 -1.26 -5.18 113.70 105.26 2h3i s SER 126 Ca 0.03 -0.00 0.04 0.00 0.48 0.00 0.00 55.95 56.50 2h3i s SER 126 Cb -0.10 0.10 -0.02 0.00 0.10 0.00 0.00 66.02 66.10 2h3i s SER 126 CO 0.03 -0.16 -0.12 -1.10 0.98 0.00 0.00 173.24 172.88 2h3i s GLN 127 N -2.28 0.79 0.46 4.02 -0.21 -1.26 -5.16 119.66 116.02 2h3i s GLN 127 Ca 0.10 -0.68 0.00 0.00 0.02 0.00 0.00 55.36 54.80 2h3i s GLN 127 Cb -0.01 -0.75 0.00 0.00 1.00 0.00 0.00 33.01 33.25 2h3i s GLN 127 CO -0.04 0.18 0.03 1.33 -2.12 0.00 0.00 175.29 174.67 2h3i n VAL 128 N 1.95 0.00 -5.08 1.09 0.24 -1.26 -5.15 118.33 110.12 2h3i n VAL 128 Ca -0.18 -2.14 -0.29 0.00 -2.04 0.00 0.00 64.34 59.68 2h3i n VAL 128 Cb 0.55 0.40 -0.16 0.00 -1.47 0.00 0.00 33.84 33.15 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 -3.54 2.69 0.37 -1.34 0.15 -1.26 -5.14 113.70 105.64 2h3i s SER 129 Ca 0.02 -0.45 0.08 0.00 0.70 0.00 0.00 55.95 56.29 2h3i s SER 129 Cb -0.00 -0.81 -0.02 0.00 -1.71 0.00 0.00 66.02 63.48 2h3i s SER 129 CO 0.01 0.20 0.37 -1.10 1.20 0.00 0.00 173.24 173.92 2h3i s GLN 130 N -0.01 2.70 0.01 5.44 -0.21 -1.26 -5.07 119.66 121.26 2h3i s GLN 130 Ca -0.06 -1.35 -0.30 0.00 0.02 0.00 0.00 55.36 53.67 2h3i s GLN 130 Cb -0.13 -2.50 -0.06 0.00 1.00 0.00 0.00 33.01 31.32 2h3i s GLN 130 CO 0.04 -0.05 1.39 1.21 -2.12 0.00 0.00 175.29 175.75 2h3i s ASN 131 N -4.10 6.86 0.00 5.90 2.47 -1.26 -5.37 114.94 119.44 2h3i s ASN 131 Ca 0.45 2.12 0.00 0.00 0.42 0.00 0.00 52.86 55.85 2h3i s ASN 131 Cb -0.06 -2.56 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 2h3i s ASN 131 CO 0.28 -0.70 0.00 0.00 -3.72 0.00 0.00 177.10 172.96