#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5g n VAL 8 N 0.00 0.50 0.00 1.55 0.24 -1.26 -2.43 118.33 116.93 3i5g n VAL 8 Ca 0.00 0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.48 3i5g n VAL 8 Cb 0.00 -1.18 0.00 0.00 -1.47 0.00 0.00 33.84 31.19 3i5g n VAL 8 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3i5g n LYS 9 N -1.03 0.00 -2.05 7.34 3.00 -1.26 -3.60 118.16 120.56 3i5g n LYS 9 Ca 0.00 0.06 -0.28 0.00 -0.00 0.00 0.00 58.31 58.09 3i5g n LYS 9 Cb 0.05 -1.73 -0.06 0.00 0.00 0.00 0.00 35.03 33.29 3i5g n LYS 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 3i5g s LEU 10 N -1.79 3.03 0.77 3.14 2.96 -1.02 -4.89 118.68 120.88 3i5g s LEU 10 Ca 0.00 -1.67 -0.13 0.00 -0.22 0.00 0.00 54.13 52.12 3i5g s LEU 10 Cb 0.00 -2.59 0.06 0.00 0.50 0.00 0.00 46.19 44.16 3i5g s LEU 10 CO 0.00 -3.15 1.14 -0.94 -1.32 0.00 0.00 176.35 172.08 3i5g s SER 11 N 6.52 4.16 0.35 3.68 1.04 -1.24 -4.59 113.70 123.63 3i5g s SER 11 Ca 0.69 2.09 0.12 0.00 0.48 0.00 0.00 55.95 59.33 3i5g s SER 11 Cb -0.01 -2.56 0.91 0.00 0.10 0.00 0.00 66.02 64.47 3i5g s SER 11 CO 0.14 -2.27 1.79 -0.61 0.98 0.00 0.00 173.24 173.27 3i5g h GLN 12 N -0.85 0.57 -0.82 4.02 4.15 -1.91 0.82 115.11 121.09 3i5g h GLN 12 Ca -0.45 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 58.98 3i5g h GLN 12 Cb 1.26 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.77 3i5g h GLN 12 CO 0.49 0.38 0.54 0.00 -1.93 0.00 0.00 178.83 178.31 3i5g h ARG 13 N 0.59 0.94 0.14 1.69 -0.00 -1.97 0.25 114.38 116.02 3i5g h ARG 13 Ca 0.56 -0.06 -0.25 0.00 -0.50 0.00 0.00 59.98 59.73 3i5g h ARG 13 Cb 1.12 -0.21 0.03 0.00 0.00 0.00 0.00 29.97 30.90 3i5g h ARG 13 CO -0.31 0.62 -1.07 1.96 0.00 0.00 0.00 179.97 181.17 3i5g h GLN 14 N 0.97 0.47 -0.01 0.04 4.20 0.12 -2.82 115.11 118.08 3i5g h GLN 14 Ca 0.34 -0.70 -0.00 0.00 0.06 0.00 0.00 58.65 58.34 3i5g h GLN 14 Cb 0.11 0.25 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 3i5g h GLN 14 CO -0.11 1.31 -0.01 0.52 -0.67 0.00 0.00 178.83 179.88 3i5g h MET 15 N -0.02 0.03 -0.88 1.46 2.86 -0.02 -1.48 114.93 116.88 3i5g h MET 15 Ca -0.17 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 3i5g h MET 15 Cb 1.81 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.42 3i5g h MET 15 CO 0.20 0.47 0.58 0.37 1.06 0.00 0.00 176.91 179.59 3i5g h GLN 16 N -0.41 1.16 -0.89 1.72 5.75 -0.67 0.42 115.11 122.19 3i5g h GLN 16 Ca 0.00 -0.07 0.05 0.00 -0.15 0.00 0.00 58.65 58.48 3i5g h GLN 16 Cb 0.46 -0.26 -0.06 0.00 1.07 0.00 0.00 27.48 28.70 3i5g h GLN 16 CO 0.00 0.78 0.58 1.49 -2.65 0.00 0.00 178.83 179.03 3i5g h GLU 17 N 1.20 1.01 0.00 1.69 4.81 -1.45 0.45 114.58 122.29 3i5g h GLU 17 Ca 0.32 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3i5g h GLU 17 Cb -0.13 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.02 3i5g h GLU 17 CO -0.07 0.67 0.00 1.28 -0.73 0.00 0.00 179.01 180.16 3i5g n LEU 18 N -4.47 0.48 -0.03 1.64 4.77 0.66 -2.89 117.00 117.16 3i5g n LEU 18 Ca 0.13 0.57 -0.15 0.00 -0.03 0.00 0.00 56.01 56.53 3i5g n LEU 18 Cb 0.17 -0.44 -0.09 0.00 -2.33 0.00 0.00 43.42 40.72 3i5g n LEU 18 CO 0.34 -0.22 0.47 0.50 -1.33 0.00 0.00 177.39 177.14 3i5g h LYS 19 N 0.00 0.27 0.00 3.23 1.63 0.40 -2.32 116.57 119.78 3i5g h LYS 19 Ca 0.00 -0.21 -0.06 0.00 -0.85 0.00 0.00 60.65 59.53 3i5g h LYS 19 Cb 0.54 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.20 3i5g h LYS 19 CO 0.00 0.85 -0.28 0.93 -3.45 0.00 0.00 179.45 177.50 3i5g h GLU 20 N -0.24 0.00 0.20 1.90 4.39 -1.42 -2.24 114.58 117.16 3i5g h GLU 20 Ca -0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3i5g h GLU 20 Cb 0.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 3i5g h GLU 20 CO 0.05 0.28 -0.10 0.00 -1.16 0.00 0.00 179.01 178.09 3i5g h ALA 21 N 1.72 -0.27 0.00 3.43 0.00 -1.49 -2.89 119.26 119.76 3i5g h ALA 21 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3i5g h ALA 21 Cb 0.63 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3i5g h ALA 21 CO 0.04 -0.43 -0.22 0.35 0.00 0.00 0.00 179.25 179.00 3i5g h PHE 22 N -0.72 0.00 0.00 0.00 3.04 -1.36 -3.27 116.94 114.63 3i5g h PHE 22 Ca -0.03 0.00 -0.21 0.00 3.98 0.00 0.00 57.97 61.71 3i5g h PHE 22 Cb 0.50 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.02 3i5g h PHE 22 CO 0.05 0.22 -0.82 1.15 -2.02 0.00 0.00 178.31 176.89 3i5g h THR 23 N 0.00 1.36 -0.64 4.41 2.02 -1.41 -2.90 112.91 115.74 3i5g h THR 23 Ca -0.00 -2.17 0.09 0.00 0.77 0.00 0.00 66.41 65.10 3i5g h THR 23 Cb 0.53 2.50 -0.07 0.00 -1.74 0.00 0.00 68.15 69.37 3i5g h THR 23 CO 0.03 0.65 0.27 0.24 0.37 0.00 0.00 175.52 177.08 3i5g h MET 24 N 0.13 0.47 0.00 6.66 2.86 -1.55 -3.09 114.93 120.40 3i5g h MET 24 Ca -0.10 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3i5g h MET 24 Cb 1.51 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.06 3i5g h MET 24 CO 0.16 0.31 0.00 -0.89 1.06 0.00 0.00 176.91 177.55 3i5g n ILE 25 N -4.95 0.00 0.00 -1.22 5.41 -1.25 -4.77 119.36 112.58 3i5g n ILE 25 Ca 0.09 1.31 0.00 0.00 1.00 0.00 0.00 62.75 65.16 3i5g n ILE 25 Cb 0.27 -2.30 0.00 0.00 -0.71 0.00 0.00 39.64 36.90 3i5g n ILE 25 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3i5g n ASP 26 N -1.57 0.00 0.00 4.38 2.03 -1.09 -4.65 116.55 115.64 3i5g n ASP 26 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3i5g n ASP 26 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3i5g n ASP 26 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 3i5g n GLN 27 N 0.00 0.00 -2.18 -0.67 7.27 -1.26 -4.82 117.38 115.72 3i5g n GLN 27 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 3i5g n GLN 27 Cb 0.00 -2.31 -0.03 0.00 2.41 0.00 0.00 30.24 30.32 3i5g n GLN 27 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 3i5g s ASP 28 N -3.35 6.86 0.00 1.69 -1.08 -1.26 -4.55 116.67 114.97 3i5g s ASP 28 Ca 0.00 2.54 0.00 0.00 -0.52 0.00 0.00 52.55 54.57 3i5g s ASP 28 Cb 0.00 -2.63 0.00 0.00 -1.46 0.00 0.00 42.92 38.83 3i5g s ASP 28 CO 0.00 -0.51 0.00 -2.11 0.52 0.00 0.00 175.17 173.07 3i5g n ARG 29 N 1.69 0.00 -3.32 4.34 1.85 -1.26 -0.85 116.66 119.12 3i5g n ARG 29 Ca 0.03 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.77 3i5g n ARG 29 Cb 0.42 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.84 3i5g n ARG 29 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3i5g n ASP 30 N 0.00 -6.69 -2.51 2.89 8.00 -1.26 -4.53 116.55 112.44 3i5g n ASP 30 Ca 0.00 -0.33 -0.01 0.00 0.71 0.00 0.00 54.79 55.16 3i5g n ASP 30 Cb 0.00 -3.89 0.00 0.00 -0.02 0.00 0.00 41.12 37.21 3i5g n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i5g n GLY 31 N -1.51 -0.98 3.02 0.44 0.00 -0.02 -5.08 105.19 101.05 3i5g n GLY 31 Ca -0.10 0.40 -0.03 0.00 0.00 0.00 0.00 46.02 46.28 3i5g n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5g s PHE 32 N -2.77 -1.24 -1.02 1.61 0.40 -1.24 -4.21 117.98 109.50 3i5g s PHE 32 Ca 0.04 1.02 -0.24 0.00 -0.60 0.00 0.00 56.93 57.14 3i5g s PHE 32 Cb -0.01 0.18 -0.11 0.00 0.51 0.00 0.00 43.02 43.60 3i5g s PHE 32 CO 0.51 -0.88 2.04 0.42 0.70 0.00 0.00 175.22 178.01 3i5g s ILE 33 N 2.68 3.35 0.74 0.64 1.01 -0.56 -4.51 121.20 124.55 3i5g s ILE 33 Ca 0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.30 3i5g s ILE 33 Cb -0.14 -4.07 0.13 0.00 0.01 0.00 0.00 42.46 38.39 3i5g s ILE 33 CO -0.22 -0.68 1.03 -0.83 0.00 0.00 0.00 174.94 174.23 3i5g s GLY 34 N 7.95 1.76 0.14 6.18 0.00 -1.26 -4.67 107.32 117.42 3i5g s GLY 34 Ca 0.75 -1.63 -0.28 0.00 0.00 0.00 0.00 44.72 43.56 3i5g s GLY 34 CO 0.09 -1.05 1.49 -0.33 0.00 0.00 0.00 173.10 173.30 3i5g h MET 35 N -0.64 -0.03 0.12 2.90 2.86 -1.93 -1.73 114.93 116.47 3i5g h MET 35 Ca -0.38 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.26 3i5g h MET 35 Cb 1.27 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.93 3i5g h MET 35 CO 0.41 -0.02 -0.06 0.93 1.06 0.00 0.00 176.91 179.23 3i5g h GLU 36 N -0.03 -0.16 -1.44 1.72 5.08 -1.97 -2.20 114.58 115.58 3i5g h GLU 36 Ca 0.14 0.01 0.45 0.00 -1.00 0.00 0.00 59.36 58.96 3i5g h GLU 36 Cb 0.38 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.56 3i5g h GLU 36 CO -0.82 -0.08 0.96 -0.44 -1.00 0.00 0.00 179.01 177.63 3i5g h ASP 37 N -0.18 0.18 0.03 1.42 5.19 -1.67 0.19 116.42 121.59 3i5g h ASP 37 Ca -0.02 0.10 -0.00 0.00 -0.62 0.00 0.00 57.03 56.49 3i5g h ASP 37 Cb 0.14 0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.74 3i5g h ASP 37 CO 0.03 -0.12 -0.02 -0.07 -3.12 0.00 0.00 179.24 175.94 3i5g h LEU 38 N 0.07 -0.04 -1.01 1.55 3.38 -0.75 -2.90 115.31 115.61 3i5g h LEU 38 Ca 0.82 0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.95 3i5g h LEU 38 Cb 2.76 0.01 -0.10 0.00 0.09 0.00 0.00 40.66 43.43 3i5g h LEU 38 CO -0.30 0.20 0.62 0.07 0.09 0.00 0.00 178.44 179.13 3i5g h LYS 39 N -0.51 0.83 -0.32 1.13 2.10 -0.98 0.21 116.57 119.03 3i5g h LYS 39 Ca -0.00 -0.05 0.06 0.00 -2.00 0.00 0.00 60.65 58.66 3i5g h LYS 39 Cb 0.04 -0.19 -0.06 0.00 -0.90 0.00 0.00 32.23 31.12 3i5g h LYS 39 CO 0.01 0.55 -0.06 -0.44 -2.00 0.00 0.00 179.45 177.50 3i5g h ASP 40 N 0.85 -0.26 -0.43 7.07 5.19 -0.77 -1.98 116.42 126.09 3i5g h ASP 40 Ca 0.55 0.09 0.08 0.00 -0.62 0.00 0.00 57.03 57.13 3i5g h ASP 40 Cb 0.75 0.18 -0.08 0.00 0.18 0.00 0.00 39.33 40.36 3i5g h ASP 40 CO -0.34 -0.09 -0.08 -0.03 -3.12 0.00 0.00 179.24 175.58 3i5g h MET 41 N 0.02 0.02 0.00 3.56 4.05 -0.39 0.03 114.93 122.22 3i5g h MET 41 Ca 0.15 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.57 3i5g h MET 41 Cb 0.23 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.02 3i5g h MET 41 CO -0.31 0.02 0.00 1.19 0.23 0.00 0.00 176.91 178.03 3i5g n PHE 42 N -5.29 0.00 -0.08 1.39 3.72 -0.69 -1.85 117.46 114.66 3i5g n PHE 42 Ca 0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.31 3i5g n PHE 42 Cb 0.23 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.69 3i5g n PHE 42 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3i5g h SER 43 N 0.00 0.00 -0.04 4.37 0.87 -0.96 -3.20 113.55 114.59 3i5g h SER 43 Ca 0.00 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.09 3i5g h SER 43 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3i5g h SER 43 CO 0.00 0.99 0.00 -1.20 -0.53 0.00 0.00 176.83 176.09 3i5g n SER 44 N -4.60 0.25 0.05 6.23 7.64 -0.84 -2.84 113.62 119.51 3i5g n SER 44 Ca -0.14 -1.72 0.11 0.00 1.01 0.00 0.00 58.87 58.14 3i5g n SER 44 Cb 0.40 -0.02 -0.07 0.00 -1.01 0.00 0.00 64.21 63.51 3i5g n SER 44 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3i5g n LEU 45 N -0.50 0.48 -2.51 -3.43 -0.00 -0.77 -5.01 117.00 105.26 3i5g n LEU 45 Ca 0.08 0.14 -0.13 0.00 -0.00 0.00 0.00 56.01 56.10 3i5g n LEU 45 Cb 0.07 -0.04 0.05 0.00 -0.00 0.00 0.00 43.42 43.51 3i5g n LEU 45 CO 0.06 -0.08 0.11 0.61 -0.00 0.00 0.00 177.39 178.09 3i5g n GLY 46 N 1.24 -0.04 3.64 -3.96 0.00 -1.13 -5.03 105.19 99.91 3i5g n GLY 46 Ca -0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 3i5g n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i5g s ARG 47 N -5.30 1.16 0.24 1.61 0.52 -1.21 -5.11 118.95 110.87 3i5g s ARG 47 Ca 0.17 -0.56 -0.30 0.00 -0.52 0.00 0.00 55.73 54.52 3i5g s ARG 47 Cb -0.07 0.45 -0.09 0.00 0.52 0.00 0.00 34.95 35.76 3i5g s ARG 47 CO 0.46 -0.52 1.25 0.08 0.02 0.00 0.00 175.30 176.59 3i5g s VAL 48 N -3.38 3.24 -0.23 3.52 1.01 -1.26 -4.71 120.40 118.59 3i5g s VAL 48 Ca 0.08 1.10 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 3i5g s VAL 48 Cb -0.02 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.68 3i5g s VAL 48 CO -0.03 0.21 -0.08 -2.16 0.00 0.00 0.00 175.10 173.03 3i5g s PRO 49 N -0.73 2.97 -0.20 2.72 0.05 -1.26 -5.08 135.00 133.46 3i5g s PRO 49 Ca 0.52 -0.88 -0.09 0.00 0.05 0.00 0.00 61.00 60.60 3i5g s PRO 49 Cb -0.35 -2.91 -0.05 0.00 0.05 0.00 0.00 34.50 31.24 3i5g s PRO 49 CO 0.41 -0.33 0.11 -2.14 0.05 0.00 0.00 177.00 175.10 3i5g s PRO 50 N 1.35 4.05 0.00 0.56 0.02 -1.26 -5.06 135.00 134.66 3i5g s PRO 50 Ca 0.02 -0.29 0.00 0.00 0.02 0.00 0.00 61.00 60.75 3i5g s PRO 50 Cb -0.15 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 31.01 3i5g s PRO 50 CO -0.06 0.22 0.31 -0.25 -0.33 0.00 0.00 177.00 176.89 3i5g n ASP 51 N 3.76 0.00 -0.26 2.53 8.00 -1.26 -0.87 116.55 128.44 3i5g n ASP 51 Ca -0.16 0.31 -0.01 0.00 0.71 0.00 0.00 54.79 55.64 3i5g n ASP 51 Cb 0.52 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.65 3i5g n ASP 51 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3i5g n ASP 52 N -0.56 -0.43 0.01 -2.24 -0.08 -1.26 0.17 116.55 112.16 3i5g n ASP 52 Ca 0.00 1.19 -0.10 0.00 -1.51 0.00 0.00 54.79 54.36 3i5g n ASP 52 Cb 0.00 -0.28 -0.05 0.00 2.34 0.00 0.00 41.12 43.14 3i5g n ASP 52 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 3i5g h GLU 53 N 0.00 -0.05 -1.18 -0.67 5.08 -1.96 0.31 114.58 116.12 3i5g h GLU 53 Ca 0.24 0.00 0.34 0.00 -1.00 0.00 0.00 59.36 58.94 3i5g h GLU 53 Cb 0.41 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 3i5g h GLU 53 CO -0.68 -0.03 0.82 1.25 -1.00 0.00 0.00 179.01 179.37 3i5g h LEU 54 N -0.05 0.15 0.13 1.33 5.85 0.17 0.34 115.31 123.23 3i5g h LEU 54 Ca 0.05 0.04 -0.34 0.00 0.84 0.00 0.00 57.88 58.47 3i5g h LEU 54 Cb 0.12 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3i5g h LEU 54 CO -0.11 0.01 -1.76 -1.13 -0.34 0.00 0.00 178.44 175.11 3i5g h ASN 55 N 0.12 0.42 -0.07 1.25 -0.00 -0.62 -3.32 115.58 113.36 3i5g h ASN 55 Ca 0.60 -0.72 0.02 0.00 -0.00 0.00 0.00 56.30 56.20 3i5g h ASN 55 Cb 2.11 -0.14 -0.00 0.00 -0.00 0.00 0.00 38.32 40.29 3i5g h ASN 55 CO -0.12 1.63 0.08 0.00 -0.00 0.00 0.00 177.43 179.01 3i5g h ALA 56 N 0.31 1.67 0.00 1.57 0.00 0.33 0.32 119.26 123.45 3i5g h ALA 56 Ca -0.33 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 3i5g h ALA 56 Cb 2.05 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.83 3i5g h ALA 56 CO 0.14 -0.12 -0.50 0.52 0.00 0.00 0.00 179.25 179.29 3i5g h MET 57 N 0.00 0.00 -0.13 0.00 2.86 -1.14 -3.01 114.93 113.51 3i5g h MET 57 Ca 0.04 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3i5g h MET 57 Cb 0.20 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.85 3i5g h MET 57 CO -0.00 0.50 -0.05 -0.07 1.06 0.00 0.00 176.91 178.35 3i5g h LEU 58 N 0.00 0.27 -0.63 1.22 3.38 -0.50 -3.22 115.31 115.83 3i5g h LEU 58 Ca -0.00 -0.39 0.24 0.00 0.09 0.00 0.00 57.88 57.82 3i5g h LEU 58 Cb 0.94 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.50 3i5g h LEU 58 CO 0.06 0.60 0.26 0.29 0.09 0.00 0.00 178.44 179.74 3i5g n LYS 59 N -4.70 -0.04 -0.16 1.13 5.02 -1.05 -0.90 118.16 117.47 3i5g n LYS 59 Ca -0.06 0.89 0.24 0.00 -2.02 0.00 0.00 58.31 57.36 3i5g n LYS 59 Cb 0.27 -1.54 0.66 0.00 -0.02 0.00 0.00 35.03 34.39 3i5g n LYS 59 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3i5g h GLU 60 N 0.00 0.11 -6.53 1.97 5.08 -1.69 -3.41 114.58 110.11 3i5g h GLU 60 Ca 0.50 -0.01 -0.65 0.00 -1.00 0.00 0.00 59.36 58.20 3i5g h GLU 60 Cb 1.26 -0.03 -0.16 0.00 0.50 0.00 0.00 28.75 30.33 3i5g h GLU 60 CO -0.51 0.08 -0.75 0.00 -1.00 0.00 0.00 179.01 176.83 3i5g n PRO 62 N 0.36 -0.20 0.00 0.00 -0.02 -1.26 -4.79 135.00 129.09 3i5g n PRO 62 Ca -0.12 1.35 0.00 0.00 -2.02 0.00 0.00 63.50 62.71 3i5g n PRO 62 Cb 0.54 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 3i5g n PRO 62 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i5g n GLY 63 N -1.42 3.18 1.52 -1.23 0.00 -1.26 -5.02 105.19 100.96 3i5g n GLY 63 Ca 0.09 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3i5g n GLY 63 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i5g n GLN 64 N -0.60 -2.96 -3.57 1.61 7.27 -1.26 -4.96 117.38 112.90 3i5g n GLN 64 Ca 0.00 2.35 -0.40 0.00 0.07 0.00 0.00 57.00 59.01 3i5g n GLN 64 Cb 0.00 -2.54 -0.08 0.00 2.41 0.00 0.00 30.24 30.03 3i5g n GLN 64 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3i5g s LEU 65 N -0.30 5.73 0.00 1.69 2.96 -1.26 -4.93 118.68 122.57 3i5g s LEU 65 Ca 0.00 -2.27 0.00 0.00 -0.22 0.00 0.00 54.13 51.64 3i5g s LEU 65 Cb 0.00 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.70 3i5g s LEU 65 CO 0.00 -0.59 0.00 -0.46 -1.32 0.00 0.00 176.35 173.98 3i5g n ASN 66 N 4.41 0.00 0.00 3.68 0.23 -1.26 -1.49 115.26 120.82 3i5g n ASN 66 Ca -0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3i5g n ASN 66 Cb 0.41 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 3i5g n ASN 66 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 3i5g n PHE 67 N 0.00 0.00 0.39 -2.53 7.35 -1.26 -4.43 117.46 116.98 3i5g n PHE 67 Ca 0.00 0.00 -0.16 0.00 -0.76 0.00 0.00 57.45 56.53 3i5g n PHE 67 Cb 0.00 0.00 -0.08 0.00 0.35 0.00 0.00 39.48 39.75 3i5g n PHE 67 CO 0.00 0.00 0.00 1.15 -0.76 0.00 0.00 176.76 177.15 3i5g h THR 68 N 0.00 0.08 -0.24 -2.13 2.02 -1.98 -1.68 112.91 108.97 3i5g h THR 68 Ca 0.00 -0.22 0.07 0.00 0.77 0.00 0.00 66.41 67.03 3i5g h THR 68 Cb 0.52 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3i5g h THR 68 CO 0.00 0.01 0.18 0.00 0.37 0.00 0.00 175.52 176.08 3i5g h ALA 69 N -1.16 2.20 0.00 6.16 0.00 -1.92 0.32 119.26 124.87 3i5g h ALA 69 Ca -0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3i5g h ALA 69 Cb 0.80 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3i5g h ALA 69 CO 0.17 -0.31 -0.14 0.35 0.00 0.00 0.00 179.25 179.33 3i5g h PHE 70 N 0.00 0.00 0.13 0.00 3.57 -1.64 0.40 116.94 119.40 3i5g h PHE 70 Ca 0.12 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.29 3i5g h PHE 70 Cb 0.48 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3i5g h PHE 70 CO 0.00 0.14 -1.69 -0.07 -2.23 0.00 0.00 178.31 174.46 3i5g h LEU 71 N 0.00 0.42 -1.55 0.59 3.38 0.49 -3.29 115.31 115.35 3i5g h LEU 71 Ca -0.00 -0.88 -0.01 0.00 0.09 0.00 0.00 57.88 57.08 3i5g h LEU 71 Cb 0.42 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 3i5g h LEU 71 CO 0.02 1.74 0.18 0.74 0.09 0.00 0.00 178.44 181.20 3i5g h THR 72 N -0.13 1.12 -0.45 0.22 2.02 -0.78 -0.22 112.91 114.69 3i5g h THR 72 Ca -0.36 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 3i5g h THR 72 Cb 1.90 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 68.96 3i5g h THR 72 CO 0.08 0.13 0.17 0.25 0.37 0.00 0.00 175.52 176.52 3i5g h LEU 73 N 0.48 0.58 -3.72 2.58 5.85 -0.32 -2.21 115.31 118.54 3i5g h LEU 73 Ca 0.12 -0.07 -0.32 0.00 0.84 0.00 0.00 57.88 58.46 3i5g h LEU 73 Cb 0.04 -0.15 -0.13 0.00 0.37 0.00 0.00 40.66 40.79 3i5g h LEU 73 CO -0.02 0.54 0.30 0.49 -0.34 0.00 0.00 178.44 179.41 3i5g n PHE 74 N -4.36 1.26 -1.28 1.25 3.01 -0.10 -4.43 117.46 112.82 3i5g n PHE 74 Ca 0.03 -1.82 -0.31 0.00 1.01 0.00 0.00 57.45 56.37 3i5g n PHE 74 Cb 0.16 -1.06 0.11 0.00 -0.01 0.00 0.00 39.48 38.68 3i5g n PHE 74 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i5g n GLY 75 N 0.78 5.38 0.00 1.37 0.00 -0.83 -3.48 105.19 108.40 3i5g n GLY 75 Ca 0.32 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3i5g n GLY 75 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3i5g n GLU 76 N -0.97 4.13 0.11 1.61 0.28 -1.26 -4.76 120.64 119.78 3i5g n GLU 76 Ca 0.61 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 57.40 3i5g n GLU 76 Cb 0.99 -0.34 -0.13 0.00 1.43 0.00 0.00 31.44 33.39 3i5g n GLU 76 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 3i5g h LYS 77 N 0.00 0.55 -0.08 3.44 3.64 -1.88 -3.35 116.57 118.89 3i5g h LYS 77 Ca 0.00 -0.79 -0.06 0.00 -1.27 0.00 0.00 60.65 58.53 3i5g h LYS 77 Cb 0.00 0.27 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 3i5g h LYS 77 CO 0.00 1.36 -0.20 0.28 -2.27 0.00 0.00 179.45 178.62 3i5g h VAL 78 N 0.22 1.41 0.00 2.00 2.07 -1.88 -3.33 116.25 116.74 3i5g h VAL 78 Ca -0.19 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 65.81 3i5g h VAL 78 Cb 1.96 2.19 0.00 0.00 -1.52 0.00 0.00 31.29 33.92 3i5g h VAL 78 CO 0.24 0.43 0.00 -1.20 0.02 0.00 0.00 177.57 177.06 3i5g n SER 79 N -4.54 0.00 -0.09 0.57 7.64 -1.26 -2.24 113.62 113.70 3i5g n SER 79 Ca -0.08 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.66 3i5g n SER 79 Cb 0.41 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.54 3i5g n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i5g n GLY 80 N -0.92 -0.26 0.44 0.23 0.00 -1.26 -4.74 105.19 98.68 3i5g n GLY 80 Ca 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 3i5g n GLY 80 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i5g n THR 81 N -3.29 0.00 -2.65 2.61 -1.04 -0.95 -4.86 114.28 104.10 3i5g n THR 81 Ca -0.33 -0.07 -0.38 0.00 -2.04 0.00 0.00 64.05 61.23 3i5g n THR 81 Cb 0.80 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.26 3i5g n THR 81 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3i5g s ASP 82 N 0.00 7.25 1.00 8.00 1.01 -1.26 -4.97 116.67 127.70 3i5g s ASP 82 Ca 0.09 2.01 -0.19 0.00 0.71 0.00 0.00 52.55 55.17 3i5g s ASP 82 Cb -0.06 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.18 3i5g s ASP 82 CO 0.04 -0.14 -0.65 -0.81 0.21 0.00 0.00 175.17 173.82 3i5g n PRO 83 N 0.74 -0.25 0.00 8.23 -0.04 -1.26 -4.74 135.00 137.68 3i5g n PRO 83 Ca 0.01 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 3i5g n PRO 83 Cb 0.48 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.68 3i5g n PRO 83 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3i5g n GLU 84 N 1.10 0.00 0.20 0.54 0.28 -1.26 -3.32 120.64 118.18 3i5g n GLU 84 Ca 0.00 0.41 -0.15 0.00 -0.16 0.00 0.00 57.16 57.26 3i5g n GLU 84 Cb 0.61 -0.78 -0.08 0.00 1.43 0.00 0.00 31.44 32.62 3i5g n GLU 84 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 3i5g h ASP 85 N 0.00 -0.39 -0.51 -1.84 3.32 -2.01 -3.17 116.42 111.82 3i5g h ASP 85 Ca 0.00 0.02 0.14 0.00 0.02 0.00 0.00 57.03 57.21 3i5g h ASP 85 Cb 0.00 0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.56 3i5g h ASP 85 CO 0.00 -0.28 0.02 0.00 -1.72 0.00 0.00 179.24 177.27 3i5g n ALA 86 N -2.29 0.27 -0.15 3.45 0.00 -1.22 0.21 120.51 120.78 3i5g n ALA 86 Ca -0.10 0.54 -0.06 0.00 0.00 0.00 0.00 53.44 53.82 3i5g n ALA 86 Cb 0.20 -0.40 0.11 0.00 0.00 0.00 0.00 19.45 19.36 3i5g n ALA 86 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i5g h LEU 87 N 0.00 0.87 -0.46 0.00 3.38 -1.54 -1.66 115.31 115.89 3i5g h LEU 87 Ca 0.31 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3i5g h LEU 87 Cb 0.66 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3i5g h LEU 87 CO -0.47 0.92 -0.15 0.03 0.09 0.00 0.00 178.44 178.85 3i5g h ARG 88 N 0.84 0.92 -0.66 1.13 3.08 0.24 -2.57 114.38 117.35 3i5g h ARG 88 Ca 0.16 -0.37 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 3i5g h ARG 88 Cb 0.47 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 3i5g h ARG 88 CO 0.02 1.03 0.17 -0.97 -1.07 0.00 0.00 179.97 179.15 3i5g h ASN 89 N 0.76 1.00 -0.77 7.04 -0.00 -1.28 -1.31 115.58 121.02 3i5g h ASN 89 Ca 0.11 -0.23 0.09 0.00 -0.00 0.00 0.00 56.30 56.27 3i5g h ASN 89 Cb 0.72 -0.26 -0.05 0.00 -0.00 0.00 0.00 38.32 38.72 3i5g h ASN 89 CO 0.05 0.97 0.51 0.00 -0.00 0.00 0.00 177.43 178.96 3i5g h ALA 90 N 1.07 1.75 0.00 1.57 0.00 -1.06 0.64 119.26 123.23 3i5g h ALA 90 Ca 0.21 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.92 3i5g h ALA 90 Cb 0.36 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3i5g h ALA 90 CO 0.00 0.11 -0.88 0.74 0.00 0.00 0.00 179.25 179.22 3i5g h PHE 91 N 0.74 0.05 -0.27 0.00 -1.00 -1.06 -3.31 116.94 112.09 3i5g h PHE 91 Ca 0.35 -0.03 0.06 0.00 2.81 0.00 0.00 57.97 61.16 3i5g h PHE 91 Cb 0.39 -0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.87 3i5g h PHE 91 CO -0.00 0.90 -0.34 0.77 -1.61 0.00 0.00 178.31 178.02 3i5g h SER 92 N 0.02 -1.09 0.00 2.17 0.02 0.29 -2.45 113.55 112.49 3i5g h SER 92 Ca -0.02 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3i5g h SER 92 Cb 1.55 0.48 0.00 0.00 0.14 0.00 0.00 62.40 64.57 3i5g h SER 92 CO 0.12 -0.35 0.56 0.23 -1.14 0.00 0.00 176.83 176.25 3i5g n MET 93 N -5.41 0.04 -0.59 3.45 2.81 -1.08 0.72 117.12 117.07 3i5g n MET 93 Ca -0.01 0.49 0.06 0.00 -1.81 0.00 0.00 57.70 56.43 3i5g n MET 93 Cb 0.34 -2.19 0.21 0.00 -0.71 0.00 0.00 33.22 30.86 3i5g n MET 93 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3i5g n PHE 94 N -1.83 0.01 -3.54 2.03 3.01 -0.92 -4.86 117.46 111.36 3i5g n PHE 94 Ca -0.00 -1.49 -0.29 0.00 1.01 0.00 0.00 57.45 56.68 3i5g n PHE 94 Cb 0.57 -0.25 -0.12 0.00 -0.01 0.00 0.00 39.48 39.67 3i5g n PHE 94 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3i5g s ASP 95 N -3.22 3.18 -0.03 4.37 2.15 0.22 -4.55 116.67 118.79 3i5g s ASP 95 Ca 0.38 -2.33 -0.20 0.00 0.43 0.00 0.00 52.55 50.83 3i5g s ASP 95 Cb 0.37 -0.60 -0.13 0.00 -0.30 0.00 0.00 42.92 42.26 3i5g s ASP 95 CO -0.07 -0.30 0.86 -0.33 -0.17 0.00 0.00 175.17 175.17 3i5g h GLU 96 N 6.92 -0.43 -5.70 4.34 3.07 -1.89 -3.39 114.58 117.51 3i5g h GLU 96 Ca 0.04 0.03 -0.28 0.00 -0.50 0.00 0.00 59.36 58.65 3i5g h GLU 96 Cb 0.96 0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 28.92 3i5g h GLU 96 CO 0.33 -0.13 0.72 0.34 -1.40 0.00 0.00 179.01 178.87 3i5g s ASP 97 N -5.10 5.01 -0.36 1.42 -1.08 -1.26 -4.86 116.67 110.44 3i5g s ASP 97 Ca -0.11 -0.50 -0.33 0.00 -0.52 0.00 0.00 52.55 51.09 3i5g s ASP 97 Cb 0.01 -2.56 -0.14 0.00 -1.46 0.00 0.00 42.92 38.77 3i5g s ASP 97 CO 0.39 -2.84 1.38 0.61 0.52 0.00 0.00 175.17 175.24 3i5g n GLY 98 N 6.75 -0.00 1.36 2.66 0.00 -1.26 -4.38 105.19 110.31 3i5g n GLY 98 Ca 0.39 0.78 0.00 0.00 0.00 0.00 0.00 46.02 47.19 3i5g n GLY 98 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i5g n GLN 99 N 4.36 -2.44 0.00 1.61 1.13 -1.26 -4.74 117.38 116.03 3i5g n GLN 99 Ca 0.32 1.87 0.00 0.00 -1.94 0.00 0.00 57.00 57.26 3i5g n GLN 99 Cb -0.04 -2.50 0.00 0.00 0.11 0.00 0.00 30.24 27.82 3i5g n GLN 99 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i5g n GLY 100 N -1.97 1.31 7.00 1.08 0.00 -1.26 -5.02 105.19 106.33 3i5g n GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i5g n GLY 100 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i5g n PHE 101 N -0.09 -0.96 -1.77 1.61 0.99 -1.25 -4.41 117.46 111.58 3i5g n PHE 101 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 3i5g n PHE 101 Cb 0.00 0.10 -0.02 0.00 -1.00 0.00 0.00 39.48 38.56 3i5g n PHE 101 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3i5g s ILE 102 N 0.00 2.09 -0.46 4.37 1.01 -1.20 -4.68 121.20 122.33 3i5g s ILE 102 Ca 0.00 0.07 -0.28 0.00 0.00 0.00 0.00 60.65 60.44 3i5g s ILE 102 Cb 0.00 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 3i5g s ILE 102 CO 0.00 0.01 1.70 -2.84 0.00 0.00 0.00 174.94 173.81 3i5g s PRO 103 N 0.07 3.15 0.00 2.79 0.02 -1.26 0.17 135.00 139.94 3i5g s PRO 103 Ca 0.67 0.97 0.00 0.00 0.02 0.00 0.00 61.00 62.66 3i5g s PRO 103 Cb -0.48 -4.22 0.00 0.00 0.02 0.00 0.00 34.50 29.82 3i5g s PRO 103 CO 0.42 -2.09 0.00 -1.91 -0.33 0.00 0.00 177.00 173.10 3i5g n GLU 104 N 8.63 0.00 -0.24 5.54 2.13 -1.21 -0.33 120.64 135.16 3i5g n GLU 104 Ca 0.20 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.95 3i5g n GLU 104 Cb 0.49 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.14 3i5g n GLU 104 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 3i5g n ASP 105 N -2.41 -0.62 0.00 4.31 8.00 -1.26 -0.81 116.55 123.77 3i5g n ASP 105 Ca 0.00 1.38 0.00 0.00 0.71 0.00 0.00 54.79 56.88 3i5g n ASP 105 Cb 0.00 -0.30 0.00 0.00 -0.02 0.00 0.00 41.12 40.80 3i5g n ASP 105 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i5g n TYR 106 N -4.33 0.00 -0.41 1.24 -0.00 0.55 -0.66 117.16 113.56 3i5g n TYR 106 Ca 0.01 0.00 0.33 0.00 -0.00 0.00 0.00 57.90 58.24 3i5g n TYR 106 Cb 0.15 -0.45 0.62 0.00 -0.00 0.00 0.00 39.34 39.66 3i5g n TYR 106 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 3i5g h LEU 107 N 0.00 0.29 0.12 2.98 6.46 -1.07 1.34 115.31 125.43 3i5g h LEU 107 Ca 0.00 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.86 3i5g h LEU 107 Cb 0.00 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.01 3i5g h LEU 107 CO 0.00 -0.08 -0.06 0.50 -0.62 0.00 0.00 178.44 178.18 3i5g h LYS 108 N 0.17 -0.16 -0.00 1.25 3.64 0.12 -0.18 116.57 121.41 3i5g h LYS 108 Ca 0.74 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 60.10 3i5g h LYS 108 Cb 2.25 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 34.11 3i5g h LYS 108 CO -0.35 0.26 -0.12 0.22 -2.27 0.00 0.00 179.45 177.19 3i5g h ASP 109 N -0.64 0.00 -0.18 4.20 3.58 0.16 0.76 116.42 124.31 3i5g h ASP 109 Ca -0.02 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 3i5g h ASP 109 Cb 0.49 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.53 3i5g h ASP 109 CO 0.03 0.12 -0.04 0.25 -2.88 0.00 0.00 179.24 176.72 3i5g h LEU 110 N 0.00 0.34 0.14 2.28 5.85 0.18 -2.74 115.31 121.36 3i5g h LEU 110 Ca -0.00 -0.36 -0.35 0.00 0.84 0.00 0.00 57.88 58.02 3i5g h LEU 110 Cb 0.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3i5g h LEU 110 CO 0.02 0.62 -1.83 -0.07 -0.34 0.00 0.00 178.44 176.84 3i5g h LEU 111 N 0.06 0.45 -0.71 2.25 3.38 -0.58 -3.25 115.31 116.91 3i5g h LEU 111 Ca 0.05 -0.92 -0.12 0.00 0.09 0.00 0.00 57.88 56.98 3i5g h LEU 111 Cb 0.47 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3i5g h LEU 111 CO 0.02 1.80 -0.31 -0.08 0.09 0.00 0.00 178.44 179.96 3i5g h GLU 112 N -0.02 0.65 0.00 1.13 4.81 0.40 0.33 114.58 121.88 3i5g h GLU 112 Ca -0.38 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 58.43 3i5g h GLU 112 Cb 1.99 -0.02 -0.28 0.00 0.63 0.00 0.00 28.75 31.07 3i5g h GLU 112 CO 0.10 0.87 -0.87 0.27 -0.73 0.00 0.00 179.01 178.65 3i5g n ASN 113 N -4.08 1.02 -4.10 1.04 0.23 -1.04 -3.72 115.26 104.61 3i5g n ASN 113 Ca -0.01 -2.30 -0.08 0.00 -0.53 0.00 0.00 54.58 51.66 3i5g n ASN 113 Cb 0.47 -0.32 -0.10 0.00 -2.08 0.00 0.00 39.78 37.74 3i5g n ASN 113 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 3i5g s MET 114 N -0.54 0.66 5.03 -3.83 -1.94 -1.22 -4.97 119.30 112.49 3i5g s MET 114 Ca 0.31 -1.25 0.00 0.00 -1.71 0.00 0.00 55.69 53.04 3i5g s MET 114 Cb 0.34 0.17 0.00 0.00 2.01 0.00 0.00 34.83 37.35 3i5g s MET 114 CO -0.13 -0.11 0.00 0.41 -0.01 0.00 0.00 175.02 175.18 3i5g n GLY 115 N 0.08 2.86 3.50 -0.03 0.00 -1.26 -2.99 105.19 107.35 3i5g n GLY 115 Ca -0.13 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 3i5g n GLY 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i5g s ASP 116 N -4.00 6.92 0.11 1.61 1.01 -1.26 -4.97 116.67 116.09 3i5g s ASP 116 Ca 0.00 -2.64 -0.12 0.00 0.71 0.00 0.00 52.55 50.50 3i5g s ASP 116 Cb 0.00 -2.46 -0.07 0.00 1.01 0.00 0.00 42.92 41.39 3i5g s ASP 116 CO 0.00 -0.95 0.20 0.59 0.21 0.00 0.00 175.17 175.21 3i5g n ASN 117 N 6.76 -0.69 -4.93 0.27 3.02 -1.16 -4.95 115.26 113.58 3i5g n ASN 117 Ca 0.39 0.48 -0.28 0.00 -0.03 0.00 0.00 54.58 55.14 3i5g n ASN 117 Cb 0.45 -0.42 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 3i5g n ASN 117 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3i5g s PHE 118 N -0.50 3.49 0.45 3.10 0.40 0.12 -4.98 117.98 120.05 3i5g s PHE 118 Ca 0.28 0.29 -0.17 0.00 -0.60 0.00 0.00 56.93 56.73 3i5g s PHE 118 Cb -0.39 -1.80 -0.09 0.00 0.51 0.00 0.00 43.02 41.25 3i5g s PHE 118 CO 0.25 0.45 0.91 -1.12 0.70 0.00 0.00 175.22 176.41 3i5g s SER 119 N -3.03 6.72 0.02 1.36 0.01 -1.26 -4.65 113.70 112.86 3i5g s SER 119 Ca 0.37 1.50 0.07 0.00 1.31 0.00 0.00 55.95 59.20 3i5g s SER 119 Cb -0.11 -2.47 0.32 0.00 0.21 0.00 0.00 66.02 63.97 3i5g s SER 119 CO 0.28 -0.44 1.23 0.29 0.41 0.00 0.00 173.24 175.01 3i5g n LYS 120 N -1.11 0.01 -0.04 12.44 5.02 -1.26 0.39 118.16 133.60 3i5g n LYS 120 Ca 0.06 0.41 -0.21 0.00 -2.02 0.00 0.00 58.31 56.55 3i5g n LYS 120 Cb 0.54 -1.53 -0.13 0.00 -0.02 0.00 0.00 35.03 33.89 3i5g n LYS 120 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3i5g n GLU 121 N -1.55 0.72 0.16 1.97 1.02 -1.26 -3.63 120.64 118.06 3i5g n GLU 121 Ca 0.01 0.24 0.01 0.00 -0.02 0.00 0.00 57.16 57.41 3i5g n GLU 121 Cb 0.07 -1.65 0.26 0.00 -0.02 0.00 0.00 31.44 30.10 3i5g n GLU 121 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 3i5g h GLU 122 N -0.02 0.00 -0.15 3.49 5.08 -1.41 -2.60 114.58 118.98 3i5g h GLU 122 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3i5g h GLU 122 Cb 1.95 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.20 3i5g h GLU 122 CO 0.01 0.50 0.09 0.82 -1.00 0.00 0.00 179.01 179.44 3i5g h ILE 123 N 0.00 1.05 -0.25 3.13 2.04 -0.21 -2.68 117.51 120.60 3i5g h ILE 123 Ca -0.01 -0.12 -0.05 0.00 1.00 0.00 0.00 64.86 65.69 3i5g h ILE 123 Cb 0.90 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3i5g h ILE 123 CO 0.07 0.05 -0.02 0.50 0.00 0.00 0.00 178.15 178.74 3i5g h LYS 124 N 0.18 0.46 -1.21 2.37 3.64 -1.60 -0.86 116.57 119.56 3i5g h LYS 124 Ca 0.05 -0.16 0.35 0.00 -1.27 0.00 0.00 60.65 59.62 3i5g h LYS 124 Cb 0.00 -0.04 -0.08 0.00 -0.41 0.00 0.00 32.23 31.70 3i5g h LYS 124 CO -0.01 0.65 0.82 -0.91 -2.27 0.00 0.00 179.45 177.73 3i5g h ASN 125 N 0.22 0.22 0.51 4.20 2.35 -1.37 0.63 115.58 122.34 3i5g h ASN 125 Ca 0.07 0.06 -0.30 0.00 -0.55 0.00 0.00 56.30 55.58 3i5g h ASN 125 Cb 0.46 0.03 0.01 0.00 0.05 0.00 0.00 38.32 38.87 3i5g h ASN 125 CO 0.02 -0.00 -1.36 0.58 -1.65 0.00 0.00 177.43 175.01 3i5g h VAL 126 N 0.17 1.38 -0.13 2.81 2.07 -1.07 -3.35 116.25 118.12 3i5g h VAL 126 Ca 0.65 -2.93 -0.15 0.00 0.82 0.00 0.00 66.70 65.09 3i5g h VAL 126 Cb 2.14 2.93 -0.01 0.00 -1.52 0.00 0.00 31.29 34.83 3i5g h VAL 126 CO -0.20 0.86 -0.56 -0.50 0.02 0.00 0.00 177.57 177.20 3i5g h TRP 127 N 0.09 0.51 -0.93 1.57 -0.00 0.16 -2.47 115.95 114.88 3i5g h TRP 127 Ca -0.19 -0.18 0.20 0.00 -0.00 0.00 0.00 58.89 58.72 3i5g h TRP 127 Cb 2.03 -0.10 -0.11 0.00 -0.00 0.00 0.00 29.16 30.98 3i5g h TRP 127 CO 0.08 0.87 0.50 0.87 -0.00 0.00 0.00 178.44 180.76 3i5g h LYS 128 N 0.31 0.58 0.00 0.49 1.57 -1.07 -3.24 116.57 115.20 3i5g h LYS 128 Ca 0.00 -0.03 -0.25 0.00 -1.87 0.00 0.00 60.65 58.50 3i5g h LYS 128 Cb 1.07 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.22 3i5g h LYS 128 CO 0.10 0.38 -1.62 -0.40 -0.57 0.00 0.00 179.45 177.34 3i5g n ASP 129 N -4.89 1.91 0.00 0.86 5.75 -1.23 -5.05 116.55 113.90 3i5g n ASP 129 Ca 0.22 0.40 0.00 0.00 -0.01 0.00 0.00 54.79 55.40 3i5g n ASP 129 Cb 0.59 -0.85 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 3i5g n ASP 129 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3i5g n ALA 130 N -3.98 0.00 -2.00 2.12 0.00 -0.93 -4.76 120.51 110.96 3i5g n ALA 130 Ca -0.34 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.67 3i5g n ALA 130 Cb 0.67 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.10 3i5g n ALA 130 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i5g s PRO 131 N 0.00 3.67 0.07 0.00 0.02 -1.26 -4.97 135.00 132.53 3i5g s PRO 131 Ca 0.00 1.74 -0.00 0.00 0.02 0.00 0.00 61.00 62.76 3i5g s PRO 131 Cb 0.00 -4.11 -0.04 0.00 0.02 0.00 0.00 34.50 30.37 3i5g s PRO 131 CO 0.00 -1.46 -0.03 -0.51 -0.33 0.00 0.00 177.00 174.67 3i5g s LEU 132 N 5.79 2.44 -0.23 -5.54 1.43 -1.26 -2.24 118.68 119.06 3i5g s LEU 132 Ca 0.78 -1.02 -0.32 0.00 -1.03 0.00 0.00 54.13 52.53 3i5g s LEU 132 Cb -0.27 0.12 0.16 0.00 0.03 0.00 0.00 46.19 46.23 3i5g s LEU 132 CO 0.32 -0.57 1.25 -0.54 0.23 0.00 0.00 176.35 177.04 3i5g s LYS 133 N -3.90 0.23 -1.75 1.70 1.02 -0.96 -4.96 119.74 111.12 3i5g s LYS 133 Ca 0.10 -0.01 -0.21 0.00 0.02 0.00 0.00 55.97 55.87 3i5g s LYS 133 Cb 0.07 0.11 0.20 0.00 -0.52 0.00 0.00 37.83 37.69 3i5g s LYS 133 CO -0.07 -0.09 0.67 0.09 -0.92 0.00 0.00 175.35 175.03 3i5g n ASN 134 N 0.30 -2.51 -4.37 2.83 5.03 -1.26 0.14 115.26 115.42 3i5g n ASN 134 Ca -0.01 -1.08 -0.36 0.00 0.87 0.00 0.00 54.58 54.00 3i5g n ASN 134 Cb 0.58 -2.11 -0.08 0.00 -1.02 0.00 0.00 39.78 37.15 3i5g n ASN 134 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3i5g n LYS 135 N -4.15 -1.29 -4.11 3.52 5.02 -1.26 -4.91 118.16 110.97 3i5g n LYS 135 Ca 0.10 0.17 -0.14 0.00 -2.02 0.00 0.00 58.31 56.42 3i5g n LYS 135 Cb 0.47 -4.28 -0.11 0.00 -0.02 0.00 0.00 35.03 31.08 3i5g n LYS 135 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3i5g s GLN 136 N -7.21 0.67 0.33 1.97 0.74 0.37 -3.32 119.66 113.20 3i5g s GLN 136 Ca 0.42 -0.92 -0.02 0.00 0.05 0.00 0.00 55.36 54.88 3i5g s GLN 136 Cb -0.24 -0.43 -0.04 0.00 1.10 0.00 0.00 33.01 33.40 3i5g s GLN 136 CO 0.99 0.07 0.56 0.12 -0.55 0.00 0.00 175.29 176.49 3i5g s PHE 137 N -1.75 3.50 -0.38 1.67 5.36 0.45 -2.26 117.98 124.56 3i5g s PHE 137 Ca -0.04 0.52 0.03 0.00 -0.96 0.00 0.00 56.93 56.48 3i5g s PHE 137 Cb -0.07 -2.02 0.11 0.00 -0.34 0.00 0.00 43.02 40.69 3i5g s PHE 137 CO 0.00 0.12 0.13 1.21 -1.46 0.00 0.00 175.22 175.22 3i5g s ASN 138 N -3.61 4.40 0.09 6.13 3.84 -0.95 -3.23 114.94 121.61 3i5g s ASN 138 Ca 0.42 -2.29 -0.11 0.00 0.21 0.00 0.00 52.86 51.09 3i5g s ASN 138 Cb -0.10 -1.41 -0.19 0.00 -0.55 0.00 0.00 41.25 39.00 3i5g s ASN 138 CO 0.34 -0.34 1.22 0.10 -2.79 0.00 0.00 177.10 175.63 3i5g h TYR 139 N 7.37 0.91 0.00 0.43 -0.00 -1.89 -2.80 116.97 120.98 3i5g h TYR 139 Ca -0.06 -0.50 -0.02 0.00 0.00 0.00 0.00 58.73 58.15 3i5g h TYR 139 Cb 0.98 -0.10 -0.00 0.00 0.00 0.00 0.00 36.73 37.61 3i5g h TYR 139 CO 0.46 1.33 -0.10 -0.91 -0.00 0.00 0.00 178.16 178.94 3i5g h ASN 140 N 0.34 0.00 1.37 0.10 2.35 -1.95 0.45 115.58 118.24 3i5g h ASN 140 Ca -0.12 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.52 3i5g h ASN 140 Cb 1.67 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 40.02 3i5g h ASN 140 CO 0.19 0.10 -0.64 0.50 -1.65 0.00 0.00 177.43 175.93 3i5g h LYS 141 N 0.00 0.00 0.20 0.81 3.64 -1.99 -2.69 116.57 116.53 3i5g h LYS 141 Ca -0.00 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.06 3i5g h LYS 141 Cb 0.24 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3i5g h LYS 141 CO 0.01 0.44 -1.48 1.98 -2.27 0.00 0.00 179.45 178.13 3i5g h MET 142 N 0.00 0.42 -0.91 1.90 4.05 -0.68 -2.69 114.93 117.02 3i5g h MET 142 Ca -0.03 -0.71 -0.02 0.00 -0.28 0.00 0.00 59.70 58.67 3i5g h MET 142 Cb 1.39 0.26 -0.04 0.00 -0.80 0.00 0.00 31.60 32.42 3i5g h MET 142 CO 0.06 1.33 0.51 0.28 0.23 0.00 0.00 176.91 179.31 3i5g h VAL 143 N 0.11 1.26 -0.67 -5.77 2.07 -0.26 -1.99 116.25 111.00 3i5g h VAL 143 Ca -0.24 -0.63 0.01 0.00 0.82 0.00 0.00 66.70 66.65 3i5g h VAL 143 Cb 2.09 0.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3i5g h VAL 143 CO 0.23 0.29 0.44 0.44 0.02 0.00 0.00 177.57 178.99 3i5g h ASP 144 N 1.27 0.78 -0.91 0.57 3.32 -1.47 -2.45 116.42 117.53 3i5g h ASP 144 Ca 0.32 -0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.39 3i5g h ASP 144 Cb 0.01 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.31 3i5g h ASP 144 CO -0.05 0.57 0.59 0.40 -1.72 0.00 0.00 179.24 179.02 3i5g h ILE 145 N 0.91 1.12 -0.33 0.35 2.04 -1.02 1.60 117.51 122.18 3i5g h ILE 145 Ca 0.25 -0.38 0.04 0.00 1.00 0.00 0.00 64.86 65.76 3i5g h ILE 145 Cb -0.10 -0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 35.83 3i5g h ILE 145 CO -0.05 0.20 -0.41 0.11 0.00 0.00 0.00 178.15 178.01 3i5g h LYS 146 N 1.11 -0.25 0.01 2.37 1.79 -0.99 -2.86 116.57 117.75 3i5g h LYS 146 Ca 0.37 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.86 3i5g h LYS 146 Cb 0.06 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3i5g h LYS 146 CO -0.14 -0.17 -0.01 0.78 -1.08 0.00 0.00 179.45 178.84 3i5g h GLY 147 N -0.26 -0.02 -1.02 3.86 0.00 -1.60 -3.51 103.07 100.52 3i5g h GLY 147 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3i5g h GLY 147 CO -0.45 -0.01 -0.04 1.17 0.00 0.00 0.00 176.54 177.21 3i5g n LYS 148 N -4.68 -0.26 -0.31 4.80 3.00 0.55 -4.95 118.16 116.31 3i5g n LYS 148 Ca -0.08 0.60 0.07 0.00 -0.00 0.00 0.00 58.31 58.90 3i5g n LYS 148 Cb 0.37 -0.20 0.13 0.00 0.00 0.00 0.00 35.03 35.33 3i5g n LYS 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i5g n ALA 149 N 0.02 2.50 0.00 3.14 0.00 -1.26 -5.03 120.51 119.88 3i5g n ALA 149 Ca 0.00 -2.51 0.00 0.00 0.00 0.00 0.00 53.44 50.93 3i5g n ALA 149 Cb 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3i5g n ALA 149 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3i5g n GLU 150 N -1.07 0.00 0.00 0.00 4.07 -1.26 -5.16 120.64 117.21 3i5g n GLU 150 Ca 0.14 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.24 3i5g n GLU 150 Cb 0.68 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.06 3i5g n GLU 150 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82