#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i6a s GLU 3 N 0.00 0.67 0.37 0.00 2.02 -1.26 -5.14 118.70 115.36 3i6a s GLU 3 Ca 0.00 -0.60 -0.26 0.00 0.02 0.00 0.00 54.97 54.12 3i6a s GLU 3 Cb 0.00 0.28 -0.12 0.00 0.10 0.00 0.00 34.13 34.39 3i6a s GLU 3 CO 0.00 -0.19 1.12 1.63 0.02 0.00 0.00 175.26 177.84 3i6a n LYS 4 N 0.77 1.64 -1.71 1.61 5.02 -1.26 -4.83 118.16 119.40 3i6a n LYS 4 Ca -0.19 0.58 -0.41 0.00 -2.02 0.00 0.00 58.31 56.27 3i6a n LYS 4 Cb 0.58 -2.12 0.01 0.00 -0.02 0.00 0.00 35.03 33.49 3i6a n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i6a n PRO 5 N 0.38 1.96 -4.05 1.97 -0.02 -1.26 -4.78 135.00 129.19 3i6a n PRO 5 Ca 0.08 0.70 -0.34 0.00 -2.02 0.00 0.00 63.50 61.92 3i6a n PRO 5 Cb 0.37 -2.42 -0.15 0.00 -0.02 0.00 0.00 33.50 31.28 3i6a n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i6a s LYS 6 N -2.25 3.02 -0.27 -0.52 2.20 -0.56 -0.58 119.74 120.77 3i6a s LYS 6 Ca 0.61 -0.83 -0.13 0.00 -0.36 0.00 0.00 55.97 55.26 3i6a s LYS 6 Cb -0.50 -2.73 -0.04 0.00 -1.51 0.00 0.00 37.83 33.05 3i6a s LYS 6 CO 0.58 -0.25 0.27 -0.51 -0.36 0.00 0.00 175.35 175.08 3i6a s LEU 7 N 1.32 4.04 -0.32 5.43 1.02 0.19 -0.69 118.68 129.68 3i6a s LEU 7 Ca 0.04 0.15 -0.10 0.00 0.02 0.00 0.00 54.13 54.23 3i6a s LEU 7 Cb -0.14 -2.26 -0.01 0.00 0.02 0.00 0.00 46.19 43.80 3i6a s LEU 7 CO -0.10 -0.10 0.18 -1.00 0.02 0.00 0.00 176.35 175.36 3i6a s HIS 8 N 1.80 3.20 0.14 0.29 3.76 0.09 -0.85 115.29 123.72 3i6a s HIS 8 Ca 0.11 -0.52 -0.24 0.00 -0.15 0.00 0.00 55.06 54.26 3i6a s HIS 8 Cb -0.16 -2.39 0.08 0.00 1.11 0.00 0.00 32.58 31.22 3i6a s HIS 8 CO 0.10 -0.45 1.07 -0.47 -0.85 0.00 0.00 174.74 174.14 3i6a s TYR 9 N 1.63 0.01 0.72 1.40 5.04 -1.20 -2.75 117.35 122.21 3i6a s TYR 9 Ca 0.05 -0.34 -0.11 0.00 -2.44 0.00 0.00 57.07 54.23 3i6a s TYR 9 Cb -0.17 0.66 0.03 0.00 0.35 0.00 0.00 41.96 42.82 3i6a s TYR 9 CO 0.07 -0.78 1.07 -0.06 -1.34 0.00 0.00 175.55 174.52 3i6a s PHE 10 N -2.42 2.91 -1.19 4.97 0.40 -1.26 -1.09 117.98 120.29 3i6a s PHE 10 Ca 0.20 1.47 -0.20 0.00 -0.60 0.00 0.00 56.93 57.80 3i6a s PHE 10 Cb -0.01 -2.94 -0.03 0.00 0.51 0.00 0.00 43.02 40.54 3i6a s PHE 10 CO 0.03 -1.45 1.89 -1.71 0.70 0.00 0.00 175.22 174.69 3i6a n ASN 11 N -3.28 3.71 -3.79 1.36 2.85 -1.26 -4.78 115.26 110.07 3i6a n ASN 11 Ca 0.08 -2.78 0.02 0.00 -0.11 0.00 0.00 54.58 51.79 3i6a n ASN 11 Cb 0.53 -1.65 0.01 0.00 1.24 0.00 0.00 39.78 39.91 3i6a n ASN 11 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 3i6a s GLY 12 N 5.20 -0.11 0.00 8.20 0.00 -1.26 -5.04 107.32 114.31 3i6a s GLY 12 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 44.72 45.32 3i6a s GLY 12 CO 0.09 5.37 0.41 0.54 0.00 0.00 0.00 173.10 179.52 3i6a n ARG 13 N -0.89 0.00 0.00 2.90 1.74 -1.26 -4.74 116.66 114.42 3i6a n ARG 13 Ca 0.03 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 3i6a n ARG 13 Cb 0.59 -1.08 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 3i6a n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i6a n GLY 14 N 0.68 1.87 0.51 -0.13 0.00 -1.26 -1.83 105.19 105.03 3i6a n GLY 14 Ca 0.00 -0.10 0.12 0.00 0.00 0.00 0.00 46.02 46.04 3i6a n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6a n ARG 15 N 13.03 1.68 -0.01 1.61 1.74 -1.26 -3.89 116.66 129.57 3i6a n ARG 15 Ca 0.00 -1.02 0.09 0.00 -0.77 0.00 0.00 57.85 56.15 3i6a n ARG 15 Cb 0.00 -1.42 -0.13 0.00 -1.02 0.00 0.00 32.46 29.89 3i6a n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3i6a n MET 16 N 0.23 0.70 -0.09 5.56 1.56 -0.84 -4.61 117.12 119.63 3i6a n MET 16 Ca 0.17 -0.13 0.03 0.00 -0.27 0.00 0.00 57.70 57.51 3i6a n MET 16 Cb 0.33 -1.41 0.36 0.00 2.15 0.00 0.00 33.22 34.65 3i6a n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 3i6a h GLU 17 N 0.00 0.71 -0.03 2.12 4.57 -1.47 -2.06 114.58 118.42 3i6a h GLU 17 Ca 0.00 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.05 3i6a h GLU 17 Cb 0.73 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3i6a h GLU 17 CO 0.00 0.47 -0.38 0.66 -1.18 0.00 0.00 179.01 178.58 3i6a h SER 18 N 0.74 0.07 -0.22 1.04 4.64 -1.85 -0.36 113.55 117.60 3i6a h SER 18 Ca 0.21 -0.02 -0.21 0.00 -0.47 0.00 0.00 61.79 61.30 3i6a h SER 18 Cb -0.05 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.03 3i6a h SER 18 CO -0.05 0.44 -0.67 0.74 -0.87 0.00 0.00 176.83 176.42 3i6a h THR 19 N 0.06 1.27 -0.54 2.95 2.02 -1.71 -0.88 112.91 116.08 3i6a h THR 19 Ca 0.00 -1.86 -0.03 0.00 0.77 0.00 0.00 66.41 65.30 3i6a h THR 19 Cb 0.70 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 3i6a h THR 19 CO 0.05 0.60 0.22 0.03 0.37 0.00 0.00 175.52 176.79 3i6a h ARG 20 N 0.61 0.80 -0.23 6.66 3.08 -0.89 -1.17 114.38 123.24 3i6a h ARG 20 Ca -0.02 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.88 3i6a h ARG 20 Cb 1.30 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 3i6a h ARG 20 CO 0.14 0.69 0.11 -1.49 -1.07 0.00 0.00 179.97 178.35 3i6a h TRP 21 N 0.73 0.33 -0.32 3.04 4.06 -1.05 -1.84 115.95 120.90 3i6a h TRP 21 Ca 0.18 -0.02 -0.07 0.00 2.06 0.00 0.00 58.89 61.04 3i6a h TRP 21 Cb 0.18 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 3i6a h TRP 21 CO 0.00 0.32 -0.08 1.25 -3.56 0.00 0.00 178.44 176.38 3i6a h LEU 22 N 0.24 0.62 -0.84 -4.49 5.85 -1.05 -1.43 115.31 114.20 3i6a h LEU 22 Ca 0.08 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.40 3i6a h LEU 22 Cb 0.12 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3i6a h LEU 22 CO -0.01 0.85 0.43 -0.07 -0.34 0.00 0.00 178.44 179.29 3i6a h LEU 23 N 0.39 1.09 -0.20 2.25 3.38 -1.22 -1.62 115.31 119.37 3i6a h LEU 23 Ca 0.08 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3i6a h LEU 23 Cb 0.58 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3i6a h LEU 23 CO 0.03 0.90 0.04 0.00 0.09 0.00 0.00 178.44 179.51 3i6a h ALA 24 N 1.23 0.27 -0.56 1.53 0.00 -1.31 0.12 119.26 120.53 3i6a h ALA 24 Ca 0.29 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.12 3i6a h ALA 24 Cb 0.09 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3i6a h ALA 24 CO -0.04 -0.07 0.38 0.00 0.00 0.00 0.00 179.25 179.52 3i6a h ALA 25 N 0.85 1.96 0.00 0.00 0.00 -1.07 0.32 119.26 121.31 3i6a h ALA 25 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i6a h ALA 25 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3i6a h ALA 25 CO 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.18 3i6a n ALA 26 N -2.51 2.42 -1.84 0.00 0.00 -0.62 -4.73 120.51 113.22 3i6a n ALA 26 Ca 0.09 -0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.28 3i6a n ALA 26 Cb 0.32 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.30 3i6a n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i6a n GLY 27 N 0.97 0.42 3.61 0.00 0.00 0.11 -5.02 105.19 105.29 3i6a n GLY 27 Ca 0.15 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 3i6a n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i6a s VAL 28 N -2.45 5.25 0.20 1.61 1.01 0.37 -5.02 120.40 121.37 3i6a s VAL 28 Ca 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 3i6a s VAL 28 Cb 0.00 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 3i6a s VAL 28 CO 0.00 0.22 1.24 -1.61 0.00 0.00 0.00 175.10 174.96 3i6a s GLU 29 N 1.75 4.45 0.15 2.72 2.02 -1.26 -4.28 118.70 124.25 3i6a s GLU 29 Ca 0.12 1.96 -0.01 0.00 0.02 0.00 0.00 54.97 57.06 3i6a s GLU 29 Cb -0.15 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 3i6a s GLU 29 CO 0.09 -0.15 0.08 -0.59 0.02 0.00 0.00 175.26 174.71 3i6a s PHE 30 N -0.08 0.97 0.22 1.61 -0.12 -1.26 -4.16 117.98 115.16 3i6a s PHE 30 Ca 0.54 -1.27 0.10 0.00 -0.05 0.00 0.00 56.93 56.25 3i6a s PHE 30 Cb -0.34 -0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 41.48 3i6a s PHE 30 CO 0.38 -0.54 -0.11 -1.21 -0.05 0.00 0.00 175.22 173.69 3i6a s GLU 31 N -4.08 1.97 -0.01 1.99 2.02 0.25 -4.97 118.70 115.87 3i6a s GLU 31 Ca 0.29 -1.44 0.06 0.00 0.02 0.00 0.00 54.97 53.90 3i6a s GLU 31 Cb 0.07 -2.04 -0.01 0.00 0.10 0.00 0.00 34.13 32.25 3i6a s GLU 31 CO 0.05 0.39 -0.18 -1.21 0.02 0.00 0.00 175.26 174.33 3i6a s GLU 32 N -3.15 1.47 -0.23 1.61 2.02 -1.26 -0.64 118.70 118.53 3i6a s GLU 32 Ca 0.27 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.60 3i6a s GLU 32 Cb -0.07 -1.43 0.02 0.00 0.10 0.00 0.00 34.13 32.75 3i6a s GLU 32 CO 0.16 0.39 -0.09 0.21 0.02 0.00 0.00 175.26 175.94 3i6a s LYS 33 N -0.43 2.94 -0.04 1.61 2.20 -0.03 -4.91 119.74 121.09 3i6a s LYS 33 Ca 0.07 -0.90 -0.20 0.00 -0.36 0.00 0.00 55.97 54.59 3i6a s LYS 33 Cb -0.07 -2.89 -0.05 0.00 -1.51 0.00 0.00 37.83 33.31 3i6a s LYS 33 CO -0.01 -0.33 0.56 -0.06 -0.36 0.00 0.00 175.35 175.16 3i6a s PHE 34 N 1.33 3.63 -0.26 4.03 0.08 -1.26 -3.26 117.98 122.27 3i6a s PHE 34 Ca 0.02 1.10 -0.24 0.00 0.12 0.00 0.00 56.93 57.93 3i6a s PHE 34 Cb -0.15 -2.59 -0.00 0.00 -0.57 0.00 0.00 43.02 39.71 3i6a s PHE 34 CO -0.06 0.30 0.83 0.42 -0.10 0.00 0.00 175.22 176.60 3i6a s ILE 35 N 0.06 4.81 -0.73 0.64 1.01 -0.25 -4.90 121.20 121.83 3i6a s ILE 35 Ca 0.30 1.48 0.07 0.00 0.00 0.00 0.00 60.65 62.50 3i6a s ILE 35 Cb -0.17 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.18 3i6a s ILE 35 CO 0.15 -0.13 0.58 0.29 0.00 0.00 0.00 174.94 175.83 3i6a n LYS 36 N 6.09 1.70 -3.90 2.79 4.76 -1.26 -4.37 118.16 123.96 3i6a n LYS 36 Ca 0.05 -0.62 -0.09 0.00 -2.87 0.00 0.00 58.31 54.79 3i6a n LYS 36 Cb 0.48 -1.03 -0.04 0.00 -1.84 0.00 0.00 35.03 32.59 3i6a n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3i6a s SER 37 N -0.98 -0.17 0.27 4.39 1.04 -1.26 -4.96 113.70 112.02 3i6a s SER 37 Ca 0.07 -0.74 -0.02 0.00 0.48 0.00 0.00 55.95 55.74 3i6a s SER 37 Cb 0.06 0.62 0.36 0.00 0.10 0.00 0.00 66.02 67.16 3i6a s SER 37 CO 0.16 -1.18 1.79 0.00 0.98 0.00 0.00 173.24 174.98 3i6a h ALA 38 N 2.17 1.15 -0.56 5.32 0.00 -1.81 -2.88 119.26 122.65 3i6a h ALA 38 Ca -0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3i6a h ALA 38 Cb 1.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3i6a h ALA 38 CO 0.32 0.56 0.31 0.93 0.00 0.00 0.00 179.25 181.37 3i6a h GLU 39 N 0.77 0.78 -0.52 0.00 3.07 -1.96 0.15 114.58 116.87 3i6a h GLU 39 Ca 0.16 -0.09 0.07 0.00 -0.50 0.00 0.00 59.36 59.00 3i6a h GLU 39 Cb 0.39 -0.15 -0.06 0.00 -0.84 0.00 0.00 28.75 28.09 3i6a h GLU 39 CO 0.01 0.59 0.20 -0.44 -1.40 0.00 0.00 179.01 177.97 3i6a h ASP 40 N 0.75 0.21 -0.44 1.42 3.32 -1.92 -1.73 116.42 118.04 3i6a h ASP 40 Ca 0.20 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.22 3i6a h ASP 40 Cb 0.04 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3i6a h ASP 40 CO -0.03 0.15 -0.06 0.25 -1.72 0.00 0.00 179.24 177.83 3i6a h LEU 41 N 0.38 0.81 -0.66 1.55 5.85 -1.24 -2.94 115.31 119.06 3i6a h LEU 41 Ca 0.25 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.63 3i6a h LEU 41 Cb 0.26 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3i6a h LEU 41 CO -0.24 0.95 0.40 0.44 -0.34 0.00 0.00 178.44 179.66 3i6a h ASP 42 N 0.65 0.79 -0.24 1.25 3.32 -0.12 -1.26 116.42 120.81 3i6a h ASP 42 Ca 0.12 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.16 3i6a h ASP 42 Cb 0.57 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.87 3i6a h ASP 42 CO 0.03 0.62 -0.10 0.50 -1.72 0.00 0.00 179.24 178.57 3i6a h LYS 43 N 0.90 -0.06 -0.94 3.56 1.63 -1.32 0.52 116.57 120.86 3i6a h LYS 43 Ca 0.24 0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.11 3i6a h LYS 43 Cb -0.04 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 31.54 3i6a h LYS 43 CO -0.05 -0.04 0.60 -0.07 -3.45 0.00 0.00 179.45 176.44 3i6a h LEU 44 N -0.06 0.94 0.12 5.20 3.38 -1.24 0.20 115.31 123.85 3i6a h LEU 44 Ca 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3i6a h LEU 44 Cb 0.25 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3i6a h LEU 44 CO -0.28 0.59 -0.06 0.03 0.09 0.00 0.00 178.44 178.80 3i6a h ARG 45 N 1.07 -0.16 -0.29 1.13 3.08 -0.50 -1.50 114.38 117.20 3i6a h ARG 45 Ca 0.42 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.47 3i6a h ARG 45 Cb 0.21 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.28 3i6a h ARG 45 CO -0.19 0.26 0.14 -0.91 -1.07 0.00 0.00 179.97 178.21 3i6a h ASN 46 N -0.64 0.35 0.00 7.04 2.35 0.16 -1.24 115.58 123.60 3i6a h ASN 46 Ca -0.02 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3i6a h ASN 46 Cb 0.49 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3i6a h ASN 46 CO 0.03 0.31 0.00 0.47 -1.65 0.00 0.00 177.43 176.59 3i6a n ASP 47 N -4.44 0.00 -0.52 5.81 8.00 0.71 -4.90 116.55 121.21 3i6a n ASP 47 Ca 0.01 -1.06 -0.06 0.00 0.71 0.00 0.00 54.79 54.39 3i6a n ASP 47 Cb 0.11 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.20 3i6a n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6a n GLY 48 N 0.92 0.54 0.17 0.44 0.00 -0.47 -4.94 105.19 101.85 3i6a n GLY 48 Ca 0.22 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.62 3i6a n GLY 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i6a h TYR 49 N 0.00 0.00 -3.77 1.61 -1.99 -1.46 -3.44 116.97 107.92 3i6a h TYR 49 Ca -0.12 0.00 -0.66 0.00 2.00 0.00 0.00 58.73 59.95 3i6a h TYR 49 Cb 0.67 0.00 -0.38 0.00 2.00 0.00 0.00 36.73 39.01 3i6a h TYR 49 CO 0.16 0.00 -0.77 -0.51 -0.00 0.00 0.00 178.16 177.04 3i6a s LEU 50 N -5.58 3.81 0.30 3.88 1.43 -1.25 -4.85 118.68 116.43 3i6a s LEU 50 Ca 0.06 -1.66 0.00 0.00 -1.03 0.00 0.00 54.13 51.51 3i6a s LEU 50 Cb 0.08 -1.53 0.52 0.00 0.03 0.00 0.00 46.19 45.29 3i6a s LEU 50 CO 0.69 -0.27 1.92 -0.03 0.23 0.00 0.00 176.35 178.89 3i6a h MET 51 N 7.74 1.01 -0.24 1.70 1.85 -1.86 -1.69 114.93 123.43 3i6a h MET 51 Ca -0.13 -0.06 -0.07 0.00 -0.61 0.00 0.00 59.70 58.82 3i6a h MET 51 Cb 1.03 -0.23 -0.04 0.00 0.43 0.00 0.00 31.60 32.79 3i6a h MET 51 CO 0.48 0.67 -0.06 1.19 -0.40 0.00 0.00 176.91 178.78 3i6a n PHE 52 N -4.48 0.80 -1.17 1.39 3.72 -1.26 -4.96 117.46 111.51 3i6a n PHE 52 Ca 0.13 -1.23 -0.06 0.00 -0.05 0.00 0.00 57.45 56.25 3i6a n PHE 52 Cb 0.18 -0.36 -0.02 0.00 -0.94 0.00 0.00 39.48 38.34 3i6a n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i6a n GLN 53 N -0.94 -1.26 -4.44 -1.08 1.13 -0.64 -4.98 117.38 105.17 3i6a n GLN 53 Ca 0.25 0.61 -0.23 0.00 -1.94 0.00 0.00 57.00 55.70 3i6a n GLN 53 Cb 0.90 -4.69 -0.10 0.00 0.11 0.00 0.00 30.24 26.46 3i6a n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3i6a s GLN 54 N -2.13 1.59 0.25 -1.09 -0.21 -1.26 -4.98 119.66 111.84 3i6a s GLN 54 Ca 0.00 -1.73 0.09 0.00 0.02 0.00 0.00 55.36 53.73 3i6a s GLN 54 Cb 0.00 -1.57 -0.04 0.00 1.00 0.00 0.00 33.01 32.40 3i6a s GLN 54 CO 0.00 0.27 0.06 0.14 -2.12 0.00 0.00 175.29 173.63 3i6a s VAL 55 N -2.66 3.77 0.59 1.09 -7.23 -1.26 -4.61 120.40 110.09 3i6a s VAL 55 Ca 0.28 -1.72 -0.19 0.00 -1.81 0.00 0.00 61.98 58.54 3i6a s VAL 55 Cb -0.03 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 33.86 3i6a s VAL 55 CO 0.13 -0.34 1.25 -2.84 -0.31 0.00 0.00 175.10 172.99 3i6a s PRO 56 N -3.66 2.96 0.00 4.82 0.02 -1.26 -5.00 135.00 132.88 3i6a s PRO 56 Ca 0.31 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.29 3i6a s PRO 56 Cb -0.07 -2.00 -0.00 0.00 0.02 0.00 0.00 34.50 32.45 3i6a s PRO 56 CO 0.21 -1.25 -0.01 1.41 -0.33 0.00 0.00 177.00 177.03 3i6a s MET 57 N -3.22 0.11 -0.08 5.54 1.75 -1.11 -3.82 119.30 118.46 3i6a s MET 57 Ca 0.77 -0.08 0.03 0.00 -1.25 0.00 0.00 55.69 55.16 3i6a s MET 57 Cb -0.34 -0.08 0.01 0.00 2.84 0.00 0.00 34.83 37.26 3i6a s MET 57 CO 0.37 0.02 -0.17 0.08 -0.65 0.00 0.00 175.02 174.67 3i6a s VAL 58 N -0.12 1.55 -0.42 10.11 1.01 -0.01 -0.73 120.40 131.79 3i6a s VAL 58 Ca -0.01 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.04 3i6a s VAL 58 Cb -0.01 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3i6a s VAL 58 CO -0.00 0.45 0.75 -1.61 0.00 0.00 0.00 175.10 174.68 3i6a s GLU 59 N 0.58 3.50 -0.11 2.72 2.02 0.14 -0.73 118.70 126.81 3i6a s GLU 59 Ca -0.15 -0.03 -0.05 0.00 0.02 0.00 0.00 54.97 54.76 3i6a s GLU 59 Cb -0.17 -3.89 0.05 0.00 0.10 0.00 0.00 34.13 30.22 3i6a s GLU 59 CO 0.05 -0.99 0.25 -1.50 0.02 0.00 0.00 175.26 173.10 3i6a s ILE 60 N 3.11 -0.13 -1.59 -1.63 2.07 -0.84 -1.50 121.20 120.68 3i6a s ILE 60 Ca 0.28 0.18 -0.14 0.00 -1.41 0.00 0.00 60.65 59.57 3i6a s ILE 60 Cb -0.13 -0.40 0.11 0.00 0.13 0.00 0.00 42.46 42.17 3i6a s ILE 60 CO 0.20 0.07 0.80 0.47 -1.91 0.00 0.00 174.94 174.57 3i6a n ASP 61 N 4.51 -3.28 0.00 4.50 8.00 -1.26 -1.52 116.55 127.49 3i6a n ASP 61 Ca -0.21 -0.93 0.00 0.00 0.71 0.00 0.00 54.79 54.36 3i6a n ASP 61 Cb 0.52 -3.21 0.00 0.00 -0.02 0.00 0.00 41.12 38.42 3i6a n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i6a n GLY 62 N -1.58 0.90 3.82 0.44 0.00 -1.26 -5.03 105.19 102.47 3i6a n GLY 62 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3i6a n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i6a s MET 63 N -0.39 2.96 -0.63 1.61 -1.94 -0.58 -5.06 119.30 115.28 3i6a s MET 63 Ca 0.00 -0.92 -0.01 0.00 -1.71 0.00 0.00 55.69 53.05 3i6a s MET 63 Cb 0.00 -2.64 0.16 0.00 2.01 0.00 0.00 34.83 34.36 3i6a s MET 63 CO 0.00 0.45 0.43 0.15 -0.01 0.00 0.00 175.02 176.04 3i6a s LYS 64 N -3.42 2.50 -0.22 2.03 1.02 -1.26 -2.00 119.74 118.40 3i6a s LYS 64 Ca 0.32 -2.64 -0.17 0.00 0.02 0.00 0.00 55.97 53.50 3i6a s LYS 64 Cb -0.09 -3.66 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 3i6a s LYS 64 CO 0.24 -1.17 0.46 -0.51 -0.92 0.00 0.00 175.35 173.45 3i6a s LEU 65 N -0.26 4.12 0.40 3.17 1.43 0.09 -4.85 118.68 122.78 3i6a s LEU 65 Ca 0.18 0.55 0.08 0.00 -1.03 0.00 0.00 54.13 53.91 3i6a s LEU 65 Cb -0.20 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 3i6a s LEU 65 CO -0.03 -0.16 0.20 0.68 0.23 0.00 0.00 176.35 177.27 3i6a s VAL 66 N 1.69 2.54 0.00 -1.59 -7.23 -1.26 -0.83 120.40 113.71 3i6a s VAL 66 Ca 0.21 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.74 3i6a s VAL 66 Cb -0.15 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.80 3i6a s VAL 66 CO 0.09 -0.05 0.00 0.00 -0.31 0.00 0.00 175.10 174.83 3i6a n GLN 67 N -1.27 0.00 -0.34 4.82 1.13 -1.25 -4.48 117.38 115.99 3i6a n GLN 67 Ca -0.01 0.44 0.17 0.00 -1.94 0.00 0.00 57.00 55.67 3i6a n GLN 67 Cb 0.63 -0.47 0.34 0.00 0.11 0.00 0.00 30.24 30.85 3i6a n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3i6a h THR 68 N 0.00 0.03 -0.15 5.09 2.02 -1.90 0.04 112.91 118.04 3i6a h THR 68 Ca 0.00 -0.01 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 3i6a h THR 68 Cb 0.00 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.41 3i6a h THR 68 CO 0.00 0.00 -0.49 0.03 0.37 0.00 0.00 175.52 175.43 3i6a h ARG 69 N 0.02 0.41 -0.13 6.66 3.08 -1.98 0.12 114.38 122.57 3i6a h ARG 69 Ca 0.64 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 3i6a h ARG 69 Cb 1.38 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.44 3i6a h ARG 69 CO -0.89 0.81 0.03 0.00 -1.07 0.00 0.00 179.97 178.86 3i6a h ALA 70 N 1.15 0.17 0.12 0.04 0.00 -1.29 0.78 119.26 120.22 3i6a h ALA 70 Ca 0.02 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.81 3i6a h ALA 70 Cb 0.99 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.69 3i6a h ALA 70 CO 0.09 -0.20 -0.30 0.82 0.00 0.00 0.00 179.25 179.65 3i6a h ILE 71 N 0.01 0.35 -0.51 0.00 2.04 -1.02 -2.21 117.51 116.18 3i6a h ILE 71 Ca 0.04 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.79 3i6a h ILE 71 Cb 0.25 0.35 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3i6a h ILE 71 CO 0.00 0.00 -0.13 -0.07 0.00 0.00 0.00 178.15 177.95 3i6a h LEU 72 N -0.52 0.97 -0.64 1.44 3.38 -0.70 -2.34 115.31 116.90 3i6a h LEU 72 Ca 0.03 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 3i6a h LEU 72 Cb 0.55 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3i6a h LEU 72 CO -0.18 1.09 0.38 0.78 0.09 0.00 0.00 178.44 180.61 3i6a h ASN 73 N 0.86 0.77 -0.19 -0.43 2.35 -0.77 -0.56 115.58 117.61 3i6a h ASN 73 Ca 0.13 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 3i6a h ASN 73 Cb 0.68 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 3i6a h ASN 73 CO 0.05 0.61 0.11 0.22 -1.65 0.00 0.00 177.43 176.76 3i6a h TYR 74 N 0.87 0.25 -0.44 1.19 3.20 -1.23 -1.63 116.97 119.18 3i6a h TYR 74 Ca 0.23 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.04 3i6a h TYR 74 Cb -0.02 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3i6a h TYR 74 CO -0.02 0.22 0.08 0.82 -1.64 0.00 0.00 178.16 177.62 3i6a h ILE 75 N 0.21 1.24 -0.65 1.81 2.04 -1.29 0.05 117.51 120.93 3i6a h ILE 75 Ca 0.07 -0.88 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 3i6a h ILE 75 Cb 0.05 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 3i6a h ILE 75 CO -0.01 0.31 0.40 0.00 0.00 0.00 0.00 178.15 178.84 3i6a h ALA 76 N 0.95 0.83 -0.33 1.87 0.00 -1.05 -1.93 119.26 119.61 3i6a h ALA 76 Ca 0.13 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3i6a h ALA 76 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3i6a h ALA 76 CO 0.01 0.29 -0.19 1.03 0.00 0.00 0.00 179.25 180.39 3i6a h SER 77 N 0.88 0.73 -0.55 0.00 0.87 -1.10 0.47 113.55 114.85 3i6a h SER 77 Ca 0.23 -0.42 -0.07 0.00 -1.23 0.00 0.00 61.79 60.30 3i6a h SER 77 Cb -0.04 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.69 3i6a h SER 77 CO -0.05 1.00 0.10 0.50 -0.53 0.00 0.00 176.83 177.86 3i6a h LYS 78 N 0.47 0.95 -0.55 2.24 3.64 -0.87 -2.97 116.57 119.47 3i6a h LYS 78 Ca 0.07 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.12 3i6a h LYS 78 Cb 0.74 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.37 3i6a h LYS 78 CO 0.05 0.87 0.11 0.66 -2.27 0.00 0.00 179.45 178.87 3i6a n TYR 79 N -4.24 1.89 -3.66 1.91 4.01 -0.73 -4.94 117.16 111.39 3i6a n TYR 79 Ca 0.04 -1.03 -0.21 0.00 -0.16 0.00 0.00 57.90 56.54 3i6a n TYR 79 Cb 0.27 -0.54 0.04 0.00 -0.31 0.00 0.00 39.34 38.80 3i6a n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i6a n ASN 80 N -0.12 -1.58 -0.12 7.72 3.02 -0.88 -4.90 115.26 118.39 3i6a n ASN 80 Ca 0.32 -0.78 0.04 0.00 -0.03 0.00 0.00 54.58 54.13 3i6a n ASN 80 Cb 1.19 -4.25 0.07 0.00 -0.61 0.00 0.00 39.78 36.18 3i6a n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i6a n LEU 81 N -4.28 2.28 -1.10 3.41 4.77 0.16 -4.63 117.00 117.61 3i6a n LEU 81 Ca -0.28 -2.38 -0.03 0.00 -0.03 0.00 0.00 56.01 53.30 3i6a n LEU 81 Cb 0.67 -0.18 0.20 0.00 -2.33 0.00 0.00 43.42 41.79 3i6a n LEU 81 CO 0.67 0.59 0.68 0.00 -1.33 0.00 0.00 177.39 178.01 3i6a n TYR 82 N -0.69 1.02 -1.20 -1.77 4.19 -1.16 -0.13 117.16 117.42 3i6a n TYR 82 Ca 0.07 -1.52 0.04 0.00 3.31 0.00 0.00 57.90 59.80 3i6a n TYR 82 Cb 0.41 -0.46 -0.01 0.00 0.49 0.00 0.00 39.34 39.77 3i6a n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3i6a n GLY 83 N -1.07 -2.09 0.00 2.98 0.00 -1.26 -4.42 105.19 99.32 3i6a n GLY 83 Ca 0.31 -1.41 0.09 0.00 0.00 0.00 0.00 46.02 45.01 3i6a n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i6a n LYS 84 N -1.57 0.67 -3.90 1.61 2.85 -1.26 -4.99 118.16 111.57 3i6a n LYS 84 Ca 0.00 -0.09 -0.08 0.00 -1.05 0.00 0.00 58.31 57.09 3i6a n LYS 84 Cb 0.14 -1.43 -0.03 0.00 -0.65 0.00 0.00 35.03 33.06 3i6a n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3i6a s ASP 85 N -3.54 -0.17 0.30 -5.58 1.47 -1.26 -5.05 116.67 102.83 3i6a s ASP 85 Ca -0.00 -0.76 0.05 0.00 1.18 0.00 0.00 52.55 53.02 3i6a s ASP 85 Cb 0.13 0.70 0.76 0.00 -0.34 0.00 0.00 42.92 44.17 3i6a s ASP 85 CO 0.79 -1.32 1.71 -0.29 0.68 0.00 0.00 175.17 176.75 3i6a h ILE 86 N 2.07 0.52 -0.44 2.11 2.10 -1.96 -0.88 117.51 121.03 3i6a h ILE 86 Ca -0.22 -0.17 -0.14 0.00 1.08 0.00 0.00 64.86 65.41 3i6a h ILE 86 Cb 1.25 -0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 36.97 3i6a h ILE 86 CO 0.28 0.09 -0.28 0.11 -1.08 0.00 0.00 178.15 177.27 3i6a h LYS 87 N 0.48 0.98 -0.14 2.19 1.57 -2.00 -2.32 116.57 117.32 3i6a h LYS 87 Ca 0.58 -0.46 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 3i6a h LYS 87 Cb 1.07 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3i6a h LYS 87 CO -0.49 1.12 -0.46 0.93 -0.57 0.00 0.00 179.45 179.98 3i6a h GLU 88 N 0.82 0.36 0.00 3.15 5.08 -1.61 -2.66 114.58 119.72 3i6a h GLU 88 Ca 0.09 -0.19 -0.09 0.00 -1.00 0.00 0.00 59.36 58.17 3i6a h GLU 88 Cb 0.87 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3i6a h GLU 88 CO 0.08 0.75 -0.43 0.00 -1.00 0.00 0.00 179.01 178.41 3i6a h ARG 89 N 0.29 0.00 -0.43 2.33 3.08 -1.10 0.07 114.38 118.62 3i6a h ARG 89 Ca 0.02 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.97 3i6a h ARG 89 Cb 0.93 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 3i6a h ARG 89 CO 0.08 0.43 -0.11 0.00 -1.07 0.00 0.00 179.97 179.29 3i6a h ALA 90 N 1.57 0.59 0.14 0.04 0.00 -1.08 0.14 119.26 120.65 3i6a h ALA 90 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3i6a h ALA 90 Cb 0.81 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3i6a h ALA 90 CO 0.06 0.48 -0.07 -0.07 0.00 0.00 0.00 179.25 179.65 3i6a h LEU 91 N 0.66 -0.16 -0.36 0.00 3.38 -1.22 -1.11 115.31 116.51 3i6a h LEU 91 Ca 0.11 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3i6a h LEU 91 Cb 0.65 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.40 3i6a h LEU 91 CO 0.04 -0.06 0.09 0.40 0.09 0.00 0.00 178.44 179.01 3i6a h ILE 92 N -0.24 0.85 -0.51 1.22 2.04 -0.94 -1.81 117.51 118.12 3i6a h ILE 92 Ca -0.02 -0.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.71 3i6a h ILE 92 Cb 0.19 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 3i6a h ILE 92 CO 0.03 0.04 0.11 0.44 0.00 0.00 0.00 178.15 178.77 3i6a h ASP 93 N 0.22 0.78 -0.53 1.72 3.32 -0.92 -1.14 116.42 119.87 3i6a h ASP 93 Ca 0.17 -0.24 0.02 0.00 0.02 0.00 0.00 57.03 57.00 3i6a h ASP 93 Cb 0.18 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 3i6a h ASP 93 CO -0.20 0.82 0.32 -0.03 -1.72 0.00 0.00 179.24 178.42 3i6a h MET 94 N 0.70 0.61 -0.27 3.56 4.05 -1.09 -1.70 114.93 120.79 3i6a h MET 94 Ca 0.16 -0.04 -0.08 0.00 -0.28 0.00 0.00 59.70 59.46 3i6a h MET 94 Cb 0.35 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.01 3i6a h MET 94 CO 0.00 0.40 -0.16 1.88 0.23 0.00 0.00 176.91 179.27 3i6a h TYR 95 N 0.63 0.67 0.00 1.39 0.05 -0.98 -3.02 116.97 115.71 3i6a h TYR 95 Ca 0.21 -0.18 -0.08 0.00 0.05 0.00 0.00 58.73 58.73 3i6a h TYR 95 Cb 0.02 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 3i6a h TYR 95 CO -0.06 0.85 -0.40 -0.84 -1.05 0.00 0.00 178.16 176.66 3i6a h ILE 96 N 0.31 0.74 -0.03 -2.88 3.07 -1.12 -2.70 117.51 114.90 3i6a h ILE 96 Ca 0.06 -1.84 -0.15 0.00 1.55 0.00 0.00 64.86 64.48 3i6a h ILE 96 Cb 0.69 2.21 -0.01 0.00 -0.27 0.00 0.00 36.82 39.43 3i6a h ILE 96 CO 0.05 0.39 -0.67 -0.33 -1.05 0.00 0.00 178.15 176.54 3i6a h GLU 97 N 0.00 0.15 -0.43 0.16 4.39 -1.33 0.16 114.58 117.67 3i6a h GLU 97 Ca -0.00 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 3i6a h GLU 97 Cb 1.18 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3i6a h GLU 97 CO 0.05 0.76 0.02 0.78 -1.16 0.00 0.00 179.01 179.46 3i6a h GLY 98 N 1.71 0.81 0.98 -3.84 0.00 -1.37 -0.72 103.07 100.64 3i6a h GLY 98 Ca -0.01 -0.59 0.03 0.00 0.00 0.00 0.00 47.33 46.76 3i6a h GLY 98 CO 0.10 0.54 0.61 -2.22 0.00 0.00 0.00 176.54 175.57 3i6a h ILE 99 N 0.59 1.17 -0.49 2.60 2.04 -1.22 -2.39 117.51 119.82 3i6a h ILE 99 Ca 0.12 -0.41 -0.13 0.00 1.00 0.00 0.00 64.86 65.45 3i6a h ILE 99 Cb 0.47 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 3i6a h ILE 99 CO 0.02 0.22 -0.21 0.00 0.00 0.00 0.00 178.15 178.18 3i6a h ALA 100 N 1.45 0.69 -0.49 1.87 0.00 -0.35 0.64 119.26 123.08 3i6a h ALA 100 Ca 0.36 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i6a h ALA 100 Cb -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3i6a h ALA 100 CO -0.11 0.67 0.29 -0.44 0.00 0.00 0.00 179.25 179.67 3i6a h ASP 101 N 0.87 0.47 -0.11 0.00 3.32 -0.88 0.11 116.42 120.19 3i6a h ASP 101 Ca 0.11 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 3i6a h ASP 101 Cb 0.79 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.24 3i6a h ASP 101 CO 0.07 0.33 -0.07 0.25 -1.72 0.00 0.00 179.24 178.10 3i6a h LEU 102 N 0.58 0.24 -1.56 1.55 5.85 -1.15 -3.18 115.31 117.65 3i6a h LEU 102 Ca 0.20 -0.44 0.03 0.00 0.84 0.00 0.00 57.88 58.50 3i6a h LEU 102 Cb 0.02 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 3i6a h LEU 102 CO -0.09 0.63 0.34 1.23 -0.34 0.00 0.00 178.44 180.21 3i6a h GLY 103 N -0.14 0.65 1.26 3.75 0.00 0.47 -1.24 103.07 107.83 3i6a h GLY 103 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 3i6a h GLY 103 CO 0.02 0.20 0.29 -2.09 0.00 0.00 0.00 176.54 174.96 3i6a h GLU 104 N 0.58 0.95 -0.07 4.80 4.57 -0.77 -1.09 114.58 123.55 3i6a h GLU 104 Ca 0.20 -0.14 -0.17 0.00 -1.18 0.00 0.00 59.36 58.07 3i6a h GLU 104 Cb 0.08 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3i6a h GLU 104 CO -0.05 0.76 -0.69 0.52 -1.18 0.00 0.00 179.01 178.36 3i6a h MET 105 N 0.94 0.33 -0.22 1.92 2.86 -1.23 -2.07 114.93 117.46 3i6a h MET 105 Ca 0.23 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 3i6a h MET 105 Cb 0.14 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3i6a h MET 105 CO -0.02 0.90 -0.00 0.82 1.06 0.00 0.00 176.91 179.66 3i6a h ILE 106 N 0.23 1.26 -0.55 -1.22 2.04 -1.23 -2.31 117.51 115.72 3i6a h ILE 106 Ca -0.02 -0.88 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 3i6a h ILE 106 Cb 1.25 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 3i6a h ILE 106 CO 0.11 0.27 0.14 0.40 0.00 0.00 0.00 178.15 179.07 3i6a h ILE 107 N 0.14 1.24 0.00 -0.67 2.04 -1.07 -2.45 117.51 116.74 3i6a h ILE 107 Ca 0.06 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 3i6a h ILE 107 Cb 0.40 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3i6a h ILE 107 CO 0.01 0.32 -0.15 0.24 0.00 0.00 0.00 178.15 178.58 3i6a h MET 108 N 0.78 0.00 -0.98 2.37 2.86 -1.39 -3.37 114.93 115.19 3i6a h MET 108 Ca 0.17 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 58.02 3i6a h MET 108 Cb 0.34 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.88 3i6a h MET 108 CO 0.00 0.15 0.57 1.25 1.06 0.00 0.00 176.91 179.94 3i6a h LEU 109 N 0.00 0.69 0.00 1.22 5.85 -0.90 0.59 115.31 122.76 3i6a h LEU 109 Ca -0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3i6a h LEU 109 Cb 0.82 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.85 3i6a h LEU 109 CO 0.02 0.20 0.00 -2.65 -0.34 0.00 0.00 178.44 175.67 3i6a n PRO 110 N -4.84 0.20 -0.40 5.25 -0.02 -1.26 -2.21 135.00 131.72 3i6a n PRO 110 Ca 0.24 0.12 0.08 0.00 -2.02 0.00 0.00 63.50 61.92 3i6a n PRO 110 Cb 0.62 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.86 3i6a n PRO 110 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i6a n PHE 111 N -1.34 0.96 -2.24 6.00 3.01 0.20 -4.97 117.46 119.07 3i6a n PHE 111 Ca 0.08 -0.61 -0.32 0.00 1.01 0.00 0.00 57.45 57.61 3i6a n PHE 111 Cb 0.17 -0.15 -0.01 0.00 -0.01 0.00 0.00 39.48 39.48 3i6a n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i6a s PRO 113 N -4.05 4.48 0.35 0.00 0.02 -1.26 -4.93 135.00 129.61 3i6a s PRO 113 Ca 0.61 2.03 0.15 0.00 0.02 0.00 0.00 61.00 63.82 3i6a s PRO 113 Cb -0.13 -3.13 1.13 0.00 0.02 0.00 0.00 34.50 32.39 3i6a s PRO 113 CO 0.34 -0.02 1.64 -1.35 -0.33 0.00 0.00 177.00 177.27 3i6a h PRO 114 N 3.72 0.22 -0.54 5.54 0.11 -1.97 -1.19 132.00 137.89 3i6a h PRO 114 Ca -0.48 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.69 3i6a h PRO 114 Cb 1.22 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 3i6a h PRO 114 CO 0.67 0.14 0.22 1.49 -0.21 0.00 0.00 178.00 180.31 3i6a h GLU 115 N 0.22 0.40 -0.00 1.05 4.81 -2.05 -2.76 114.58 116.26 3i6a h GLU 115 Ca 0.75 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.96 3i6a h GLU 115 Cb 1.79 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.08 3i6a h GLU 115 CO -0.66 0.27 -0.06 0.39 -0.73 0.00 0.00 179.01 178.21 3i6a n GLU 116 N -4.97 0.09 -0.03 1.92 1.02 -0.46 -4.37 120.64 113.84 3i6a n GLU 116 Ca 0.06 -0.01 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 3i6a n GLU 116 Cb 0.21 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.07 3i6a n GLU 116 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3i6a h LYS 117 N 0.03 0.21 -0.66 3.49 1.57 -1.42 -2.61 116.57 117.17 3i6a h LYS 117 Ca 0.00 -0.05 0.09 0.00 -1.87 0.00 0.00 60.65 58.82 3i6a h LYS 117 Cb 0.46 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 3i6a h LYS 117 CO 0.00 0.37 0.31 -0.44 -0.57 0.00 0.00 179.45 179.11 3i6a h ASP 118 N 0.01 0.38 0.83 0.86 3.32 -1.78 -1.66 116.42 118.39 3i6a h ASP 118 Ca 0.04 0.06 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3i6a h ASP 118 Cb 0.25 0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.82 3i6a h ASP 118 CO 0.00 0.22 -0.40 0.00 -1.72 0.00 0.00 179.24 177.34 3i6a h ALA 119 N 1.41 -1.17 -0.83 3.45 0.00 -1.77 -2.00 119.26 118.35 3i6a h ALA 119 Ca 0.33 -0.24 0.14 0.00 0.00 0.00 0.00 54.91 55.13 3i6a h ALA 119 Cb 0.35 0.43 -0.14 0.00 0.00 0.00 0.00 17.79 18.43 3i6a h ALA 119 CO -0.27 -1.09 -0.34 -0.22 0.00 0.00 0.00 179.25 177.32 3i6a h LYS 120 N -1.24 -0.06 0.08 0.00 1.63 -1.37 -1.43 116.57 114.18 3i6a h LYS 120 Ca -0.11 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.71 3i6a h LYS 120 Cb 0.86 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.45 3i6a h LYS 120 CO 0.19 -0.04 -0.44 1.25 -3.45 0.00 0.00 179.45 176.96 3i6a h LEU 121 N -0.06 -1.30 -0.87 5.20 5.85 -1.14 0.14 115.31 123.12 3i6a h LEU 121 Ca 0.31 0.15 0.22 0.00 0.84 0.00 0.00 57.88 59.40 3i6a h LEU 121 Cb 0.59 0.49 -0.13 0.00 0.37 0.00 0.00 40.66 41.98 3i6a h LEU 121 CO -0.86 -0.49 0.33 0.00 -0.34 0.00 0.00 178.44 177.08 3i6a h ALA 122 N -0.19 1.35 -0.38 1.25 0.00 -0.57 -0.58 119.26 120.13 3i6a h ALA 122 Ca 0.03 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3i6a h ALA 122 Cb 0.69 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3i6a h ALA 122 CO -0.27 -0.38 0.22 1.25 0.00 0.00 0.00 179.25 180.06 3i6a h LEU 123 N 0.33 0.47 -0.69 0.00 5.85 0.19 -0.56 115.31 120.90 3i6a h LEU 123 Ca 0.54 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 59.17 3i6a h LEU 123 Cb 1.05 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 3i6a h LEU 123 CO -0.56 0.42 0.38 0.40 -0.34 0.00 0.00 178.44 178.74 3i6a h ILE 124 N 0.49 1.21 -0.63 4.05 2.04 0.46 -0.74 117.51 124.41 3i6a h ILE 124 Ca 0.14 -0.52 -0.05 0.00 1.00 0.00 0.00 64.86 65.43 3i6a h ILE 124 Cb 0.04 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 3i6a h ILE 124 CO -0.02 0.23 0.21 0.11 0.00 0.00 0.00 178.15 178.68 3i6a h LYS 125 N 0.94 0.96 -0.21 2.37 1.57 -0.75 0.16 116.57 121.61 3i6a h LYS 125 Ca 0.24 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3i6a h LYS 125 Cb 0.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 3i6a h LYS 125 CO -0.04 0.84 0.11 0.93 -0.57 0.00 0.00 179.45 180.73 3i6a h GLU 126 N 0.89 0.29 -0.13 3.15 5.08 -0.78 0.40 114.58 123.48 3i6a h GLU 126 Ca 0.20 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3i6a h GLU 126 Cb 0.27 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3i6a h GLU 126 CO -0.01 0.27 -0.20 0.87 -1.00 0.00 0.00 179.01 178.94 3i6a h LYS 127 N 0.23 0.22 0.17 2.33 1.57 -0.95 -0.15 116.57 119.99 3i6a h LYS 127 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3i6a h LYS 127 Cb 0.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.36 3i6a h LYS 127 CO -0.01 0.42 -0.08 0.82 -0.57 0.00 0.00 179.45 180.03 3i6a h ILE 128 N 0.20 0.94 -0.38 1.86 2.04 0.06 0.15 117.51 122.38 3i6a h ILE 128 Ca 0.04 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 3i6a h ILE 128 Cb 0.48 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3i6a h ILE 128 CO 0.03 0.13 0.10 0.50 0.00 0.00 0.00 178.15 178.91 3i6a h LYS 129 N -0.51 0.61 0.00 2.37 3.64 -0.73 -0.01 116.57 121.94 3i6a h LYS 129 Ca -0.02 -0.15 -0.36 0.00 -1.27 0.00 0.00 60.65 58.85 3i6a h LYS 129 Cb 0.39 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.06 3i6a h LYS 129 CO 0.04 0.64 -2.36 0.09 -2.27 0.00 0.00 179.45 175.59 3i6a n ASN 130 N -4.58 0.52 -0.09 4.20 4.13 -0.09 -4.30 115.26 115.05 3i6a n ASN 130 Ca -0.01 -0.03 -0.10 0.00 1.68 0.00 0.00 54.58 56.13 3i6a n ASN 130 Cb 0.20 0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 39.13 3i6a n ASN 130 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 3i6a n ARG 131 N -2.82 0.53 -0.04 3.52 0.63 -0.27 -4.65 116.66 113.56 3i6a n ARG 131 Ca -0.34 0.21 -0.20 0.00 -0.92 0.00 0.00 57.85 56.60 3i6a n ARG 131 Cb 1.11 -1.43 -0.13 0.00 0.45 0.00 0.00 32.46 32.45 3i6a n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3i6a h TYR 132 N -1.00 0.25 -0.58 -0.14 0.05 -0.78 -3.10 116.97 111.66 3i6a h TYR 132 Ca -0.03 -0.18 -0.06 0.00 0.05 0.00 0.00 58.73 58.51 3i6a h TYR 132 Cb 1.02 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.73 3i6a h TYR 132 CO -0.42 1.46 0.10 0.74 -1.05 0.00 0.00 178.16 178.99 3i6a h PHE 133 N -0.60 0.96 -0.21 4.88 -1.00 -1.22 -2.79 116.94 116.97 3i6a h PHE 133 Ca -0.27 -0.11 -0.08 0.00 2.81 0.00 0.00 57.97 60.31 3i6a h PHE 133 Cb 1.52 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 40.79 3i6a h PHE 133 CO 0.14 0.82 -0.22 -1.35 -1.61 0.00 0.00 178.31 176.09 3i6a h PRO 134 N 0.87 0.37 -0.68 1.51 0.11 -1.75 -0.69 132.00 131.75 3i6a h PRO 134 Ca 0.18 -0.12 -0.04 0.00 0.11 0.00 0.00 66.00 66.13 3i6a h PRO 134 Cb 0.37 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 3i6a h PRO 134 CO 0.01 0.58 0.29 0.00 -0.21 0.00 0.00 178.00 178.66 3i6a h ALA 135 N 1.43 0.88 0.18 -0.75 0.00 -1.42 -2.34 119.26 117.24 3i6a h ALA 135 Ca 0.06 -0.17 -0.31 0.00 0.00 0.00 0.00 54.91 54.49 3i6a h ALA 135 Cb 0.58 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.12 3i6a h ALA 135 CO 0.04 0.48 -1.39 0.74 0.00 0.00 0.00 179.25 179.12 3i6a h PHE 136 N 0.96 0.70 -0.73 0.00 0.04 -1.32 -2.90 116.94 113.70 3i6a h PHE 136 Ca 0.23 -0.51 0.10 0.00 2.80 0.00 0.00 57.97 60.59 3i6a h PHE 136 Cb 0.18 -0.03 -0.08 0.00 2.20 0.00 0.00 35.95 38.23 3i6a h PHE 136 CO 0.01 1.42 0.35 1.49 -0.60 0.00 0.00 178.31 180.99 3i6a h GLU 137 N 0.10 0.56 -0.30 1.51 4.57 -1.17 -2.77 114.58 117.08 3i6a h GLU 137 Ca -0.20 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 57.90 3i6a h GLU 137 Cb 2.06 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 30.51 3i6a h GLU 137 CO 0.23 0.37 0.00 -0.22 -1.18 0.00 0.00 179.01 178.21 3i6a h LYS 138 N 0.58 0.46 -0.34 1.92 3.64 -1.38 -2.07 116.57 119.38 3i6a h LYS 138 Ca 0.37 -0.09 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 3i6a h LYS 138 Cb 0.42 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 3i6a h LYS 138 CO -0.29 0.49 -0.08 0.28 -2.27 0.00 0.00 179.45 177.58 3i6a h VAL 139 N 0.44 1.28 -0.86 2.00 2.07 -1.29 -2.19 116.25 117.70 3i6a h VAL 139 Ca 0.10 -1.13 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3i6a h VAL 139 Cb 0.29 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 3i6a h VAL 139 CO 0.01 0.37 0.51 -0.07 0.02 0.00 0.00 177.57 178.41 3i6a h LEU 140 N 0.44 1.04 -0.83 2.57 3.38 -1.20 -2.28 115.31 118.43 3i6a h LEU 140 Ca 0.09 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3i6a h LEU 140 Cb 0.57 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3i6a h LEU 140 CO 0.03 0.81 -0.51 0.50 0.09 0.00 0.00 178.44 179.36 3i6a h LYS 141 N 1.19 0.18 -0.04 1.13 3.64 -1.36 0.18 116.57 121.49 3i6a h LYS 141 Ca 0.31 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3i6a h LYS 141 Cb -0.03 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3i6a h LYS 141 CO -0.06 0.66 0.03 0.66 -2.27 0.00 0.00 179.45 178.47 3i6a h SER 142 N 0.15 0.00 0.00 4.20 4.64 -0.78 -3.24 113.55 118.51 3i6a h SER 142 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i6a h SER 142 Cb 0.96 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.05 3i6a h SER 142 CO 0.08 0.00 -0.17 0.00 -0.87 0.00 0.00 176.83 175.87 3i6a n HIS 143 N -4.29 0.00 -1.08 4.77 1.44 -1.20 -5.05 115.22 109.81 3i6a n HIS 143 Ca -0.02 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.66 3i6a n HIS 143 Cb 0.13 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.23 3i6a n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i6a n GLY 144 N 0.92 0.41 3.95 -1.39 0.00 0.62 -4.99 105.19 104.72 3i6a n GLY 144 Ca 0.00 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 3i6a n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i6a s GLN 145 N -1.73 3.32 0.57 1.61 -0.21 -1.25 -5.00 119.66 116.96 3i6a s GLN 145 Ca 0.00 -0.47 0.35 0.00 0.02 0.00 0.00 55.36 55.26 3i6a s GLN 145 Cb 0.00 -2.66 1.52 0.00 1.00 0.00 0.00 33.01 32.87 3i6a s GLN 145 CO 0.00 0.02 2.04 -0.44 -2.12 0.00 0.00 175.29 174.79 3i6a h ASP 146 N 0.68 0.00 -3.20 5.90 3.32 -1.94 -3.45 116.42 117.74 3i6a h ASP 146 Ca -0.48 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 55.98 3i6a h ASP 146 Cb 1.23 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.61 3i6a h ASP 146 CO 0.59 0.00 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.01 3i6a s TYR 147 N -3.74 2.09 0.17 4.55 2.02 -1.26 -4.91 117.35 116.26 3i6a s TYR 147 Ca 0.00 -0.41 -0.12 0.00 -0.37 0.00 0.00 57.07 56.18 3i6a s TYR 147 Cb 0.09 -1.01 0.06 0.00 -0.40 0.00 0.00 41.96 40.70 3i6a s TYR 147 CO 0.53 0.46 1.69 -0.07 -1.57 0.00 0.00 175.55 176.58 3i6a h LEU 148 N 3.07 0.84 -7.98 -1.29 3.38 -1.86 -3.42 115.31 108.05 3i6a h LEU 148 Ca -0.44 -0.22 -0.41 0.00 0.09 0.00 0.00 57.88 56.91 3i6a h LEU 148 Cb 1.21 -0.22 -0.30 0.00 0.09 0.00 0.00 40.66 41.44 3i6a h LEU 148 CO 0.51 0.83 -0.78 -0.69 0.09 0.00 0.00 178.44 178.40 3i6a s VAL 149 N -5.37 0.74 -0.28 1.22 1.01 -1.26 -4.85 120.40 111.60 3i6a s VAL 149 Ca -0.13 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3i6a s VAL 149 Cb 0.12 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3i6a s VAL 149 CO 0.81 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.74 3i6a n GLY 150 N 3.20 0.42 2.37 4.51 0.00 -1.26 -2.81 105.19 111.61 3i6a n GLY 150 Ca -0.17 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.63 3i6a n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i6a n ASN 151 N -0.56 -4.36 -3.86 1.61 5.15 -1.26 -4.98 115.26 107.00 3i6a n ASN 151 Ca -0.03 0.18 -0.09 0.00 -0.60 0.00 0.00 54.58 54.04 3i6a n ASN 151 Cb 0.35 -3.73 -0.08 0.00 -0.53 0.00 0.00 39.78 35.79 3i6a n ASN 151 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3i6a s LYS 152 N -4.69 0.79 0.08 1.20 0.00 -1.12 -4.87 119.74 111.13 3i6a s LYS 152 Ca 0.00 -0.88 -0.35 0.00 0.00 0.00 0.00 55.97 54.74 3i6a s LYS 152 Cb 0.00 0.32 -0.14 0.00 0.00 0.00 0.00 37.83 38.01 3i6a s LYS 152 CO 0.00 -0.24 1.57 -0.11 0.00 0.00 0.00 175.35 176.57 3i6a n LEU 153 N 0.15 2.71 -4.36 2.77 7.94 -1.26 -4.56 117.00 120.39 3i6a n LEU 153 Ca -0.16 1.08 -0.18 0.00 -1.11 0.00 0.00 56.01 55.63 3i6a n LEU 153 Cb 0.61 -1.34 -0.10 0.00 0.53 0.00 0.00 43.42 43.13 3i6a n LEU 153 CO 0.22 -0.47 -0.25 -0.94 -1.11 0.00 0.00 177.39 174.85 3i6a s SER 154 N 1.43 1.60 0.54 1.96 1.04 -1.26 -4.75 113.70 114.26 3i6a s SER 154 Ca 0.84 -1.42 0.32 0.00 0.48 0.00 0.00 55.95 56.16 3i6a s SER 154 Cb -0.78 0.16 1.49 0.00 0.10 0.00 0.00 66.02 66.99 3i6a s SER 154 CO 0.44 -0.74 1.88 0.08 0.98 0.00 0.00 173.24 175.88 3i6a h ARG 155 N 2.26 0.00 -0.80 4.02 0.11 -0.90 -1.96 114.38 117.11 3i6a h ARG 155 Ca -0.38 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.69 3i6a h ARG 155 Cb 1.25 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.29 3i6a h ARG 155 CO 0.61 0.00 0.46 0.00 0.10 0.00 0.00 179.97 181.15 3i6a h ALA 156 N 1.53 1.02 -0.63 0.08 0.00 -1.90 -0.06 119.26 119.29 3i6a h ALA 156 Ca 0.44 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 3i6a h ALA 156 Cb 1.78 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 3i6a h ALA 156 CO -0.00 0.50 0.14 -0.44 0.00 0.00 0.00 179.25 179.45 3i6a h ASP 157 N 1.09 0.97 -0.02 0.00 3.32 -1.76 -1.17 116.42 118.86 3i6a h ASP 157 Ca 0.28 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3i6a h ASP 157 Cb -0.01 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.28 3i6a h ASP 157 CO -0.05 0.96 0.01 0.40 -1.72 0.00 0.00 179.24 178.84 3i6a h ILE 158 N 0.94 1.20 -0.23 0.35 1.08 -1.33 -2.06 117.51 117.46 3i6a h ILE 158 Ca 0.20 -0.59 -0.10 0.00 -0.39 0.00 0.00 64.86 63.98 3i6a h ILE 158 Cb 0.38 1.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.66 3i6a h ILE 158 CO 0.00 0.16 -0.27 0.45 -0.69 0.00 0.00 178.15 177.80 3i6a h HIS 159 N -0.20 0.50 -0.26 1.37 3.86 -0.98 -1.31 115.15 118.13 3i6a h HIS 159 Ca 0.01 -0.11 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 3i6a h HIS 159 Cb 0.25 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 3i6a h HIS 159 CO 0.01 0.68 -0.29 1.25 0.86 0.00 0.00 177.93 180.44 3i6a h LEU 160 N 0.40 0.71 -0.29 2.43 5.85 -1.20 -2.64 115.31 120.57 3i6a h LEU 160 Ca 0.06 -0.48 -0.09 0.00 0.84 0.00 0.00 57.88 58.20 3i6a h LEU 160 Cb 0.68 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 3i6a h LEU 160 CO 0.05 1.05 -0.19 0.58 -0.34 0.00 0.00 178.44 179.59 3i6a h VAL 161 N 0.39 1.30 -0.81 1.05 2.07 -1.14 0.46 116.25 119.57 3i6a h VAL 161 Ca 0.04 -1.32 0.15 0.00 0.82 0.00 0.00 66.70 66.39 3i6a h VAL 161 Cb 0.86 1.53 -0.15 0.00 -1.52 0.00 0.00 31.29 32.01 3i6a h VAL 161 CO 0.07 0.42 -0.28 -0.08 0.02 0.00 0.00 177.57 177.71 3i6a h GLU 162 N 0.37 -0.04 -0.63 1.57 4.81 -1.32 -0.05 114.58 119.29 3i6a h GLU 162 Ca 0.06 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.24 3i6a h GLU 162 Cb 0.73 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.09 3i6a h GLU 162 CO 0.05 -0.03 0.18 1.25 -0.73 0.00 0.00 179.01 179.73 3i6a h LEU 163 N -0.04 0.90 -1.12 1.64 5.85 -0.88 -2.56 115.31 119.10 3i6a h LEU 163 Ca 0.34 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.98 3i6a h LEU 163 Cb 0.59 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 3i6a h LEU 163 CO -0.84 0.86 0.60 -0.07 -0.34 0.00 0.00 178.44 178.64 3i6a h LEU 164 N 0.93 0.91 -1.40 2.25 3.38 0.92 -0.43 115.31 121.87 3i6a h LEU 164 Ca 0.20 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3i6a h LEU 164 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3i6a h LEU 164 CO -0.00 0.57 -0.27 1.88 0.09 0.00 0.00 178.44 180.70 3i6a h TYR 165 N 1.02 0.05 0.09 1.13 0.05 -0.93 0.16 116.97 118.55 3i6a h TYR 165 Ca 0.41 -0.01 -0.26 0.00 0.05 0.00 0.00 58.73 58.92 3i6a h TYR 165 Cb 0.26 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3i6a h TYR 165 CO -0.00 0.32 -1.15 1.88 -1.05 0.00 0.00 178.16 178.15 3i6a h TYR 166 N 0.04 0.53 -0.16 4.88 0.05 -1.15 -2.56 116.97 118.60 3i6a h TYR 166 Ca 0.01 -0.35 -0.02 0.00 0.05 0.00 0.00 58.73 58.41 3i6a h TYR 166 Cb 0.50 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 38.20 3i6a h TYR 166 CO 0.00 1.24 0.02 0.28 -1.05 0.00 0.00 178.16 178.65 3i6a h VAL 167 N 0.12 1.23 -0.64 -2.88 2.07 -0.92 -0.79 116.25 114.43 3i6a h VAL 167 Ca -0.12 -0.74 0.07 0.00 0.82 0.00 0.00 66.70 66.74 3i6a h VAL 167 Cb 1.85 1.41 -0.10 0.00 -1.52 0.00 0.00 31.29 32.93 3i6a h VAL 167 CO 0.19 0.22 -0.54 -0.08 0.02 0.00 0.00 177.57 177.39 3i6a h GLU 168 N 0.04 -0.22 -0.98 1.57 4.81 -1.01 0.53 114.58 119.33 3i6a h GLU 168 Ca 0.05 0.02 0.19 0.00 -0.13 0.00 0.00 59.36 59.48 3i6a h GLU 168 Cb 0.32 0.05 -0.11 0.00 0.63 0.00 0.00 28.75 29.64 3i6a h GLU 168 CO 0.00 -0.15 0.58 0.93 -0.73 0.00 0.00 179.01 179.65 3i6a h GLU 169 N -0.23 0.70 0.06 1.92 5.08 -1.16 -2.67 114.58 118.28 3i6a h GLU 169 Ca 0.13 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3i6a h GLU 169 Cb 0.54 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3i6a h GLU 169 CO -0.73 0.46 -0.03 1.25 -1.00 0.00 0.00 179.01 178.96 3i6a h LEU 170 N 0.72 -0.07 -6.26 1.33 5.85 0.34 -3.46 115.31 113.76 3i6a h LEU 170 Ca 0.57 -0.49 0.16 0.00 0.84 0.00 0.00 57.88 58.96 3i6a h LEU 170 Cb 0.90 0.02 -0.22 0.00 0.37 0.00 0.00 40.66 41.73 3i6a h LEU 170 CO -0.39 0.48 0.01 -0.62 -0.34 0.00 0.00 178.44 177.57 3i6a s ASP 171 N -5.65 -0.84 0.30 1.25 -1.08 0.17 -5.05 116.67 105.76 3i6a s ASP 171 Ca -0.15 0.75 0.25 0.00 -0.52 0.00 0.00 52.55 52.88 3i6a s ASP 171 Cb 0.01 1.80 0.99 0.00 -1.46 0.00 0.00 42.92 44.26 3i6a s ASP 171 CO 0.62 -0.16 1.76 0.77 0.52 0.00 0.00 175.17 178.68 3i6a h SER 172 N 7.86 0.00 1.47 -0.34 4.64 -1.72 -2.79 113.55 122.67 3i6a h SER 172 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3i6a h SER 172 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3i6a h SER 172 CO 0.08 0.00 -0.23 0.77 -0.87 0.00 0.00 176.83 176.58 3i6a h SER 173 N 0.00 0.00 -0.36 4.97 4.64 -1.92 -3.37 113.55 117.51 3i6a h SER 173 Ca 0.00 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 3i6a h SER 173 Cb 0.46 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 3i6a h SER 173 CO 0.00 0.02 0.20 -0.07 -0.87 0.00 0.00 176.83 176.11 3i6a h LEU 174 N 0.00 0.48 0.00 5.97 3.38 -1.86 -0.11 115.31 123.16 3i6a h LEU 174 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3i6a h LEU 174 Cb 0.85 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3i6a h LEU 174 CO 0.00 0.40 -0.01 0.00 0.09 0.00 0.00 178.44 178.92 3i6a n ILE 175 N -4.42 0.54 -0.35 1.22 3.06 -1.26 -4.38 119.36 113.76 3i6a n ILE 175 Ca 0.03 -0.26 0.26 0.00 -2.50 0.00 0.00 62.75 60.28 3i6a n ILE 175 Cb 0.10 -0.57 0.51 0.00 0.54 0.00 0.00 39.64 40.23 3i6a n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3i6a h SER 176 N 0.00 0.46 -0.41 9.51 4.64 -1.22 0.20 113.55 126.73 3i6a h SER 176 Ca 0.00 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 3i6a h SER 176 Cb 0.72 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3i6a h SER 176 CO 0.00 -0.13 0.00 -1.54 -0.87 0.00 0.00 176.83 174.29 3i6a n SER 177 N -4.95 2.59 -3.61 4.97 3.41 -1.26 -4.60 113.62 110.16 3i6a n SER 177 Ca 0.32 -1.93 -0.27 0.00 -0.26 0.00 0.00 58.87 56.73 3i6a n SER 177 Cb 1.06 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.64 3i6a n SER 177 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i6a n PHE 178 N 0.91 2.33 0.10 7.33 3.72 0.70 -4.96 117.46 127.60 3i6a n PHE 178 Ca 0.17 -4.03 0.03 0.00 -0.05 0.00 0.00 57.45 53.56 3i6a n PHE 178 Cb 0.43 -0.43 0.40 0.00 -0.94 0.00 0.00 39.48 38.94 3i6a n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3i6a h PRO 179 N 4.95 0.29 -0.00 -1.08 0.13 -1.81 -1.95 132.00 132.52 3i6a h PRO 179 Ca 0.18 -0.06 -0.15 0.00 -0.87 0.00 0.00 66.00 65.10 3i6a h PRO 179 Cb 0.76 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.83 3i6a h PRO 179 CO 0.67 0.37 -0.69 -0.07 -0.23 0.00 0.00 178.00 178.05 3i6a h LEU 180 N 0.28 0.03 -0.37 1.56 3.38 -1.94 0.11 115.31 118.36 3i6a h LEU 180 Ca 0.06 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3i6a h LEU 180 Cb 0.30 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3i6a h LEU 180 CO 0.01 0.71 -0.20 -0.07 0.09 0.00 0.00 178.44 178.98 3i6a h LEU 181 N 0.01 0.82 -0.84 1.67 3.38 -1.87 0.14 115.31 118.63 3i6a h LEU 181 Ca -0.01 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 3i6a h LEU 181 Cb 1.22 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 3i6a h LEU 181 CO 0.09 1.05 0.44 0.11 0.09 0.00 0.00 178.44 180.23 3i6a h LYS 182 N 0.58 1.17 -0.09 1.13 1.57 -0.97 -0.68 116.57 119.28 3i6a h LYS 182 Ca 0.08 -0.15 -0.19 0.00 -1.87 0.00 0.00 60.65 58.52 3i6a h LYS 182 Cb 0.76 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3i6a h LYS 182 CO 0.06 0.87 -0.74 0.00 -0.57 0.00 0.00 179.45 179.07 3i6a h ALA 183 N 1.24 0.54 -0.05 3.86 0.00 -0.65 -2.67 119.26 121.52 3i6a h ALA 183 Ca 0.29 -0.61 0.02 0.00 0.00 0.00 0.00 54.91 54.62 3i6a h ALA 183 Cb 0.05 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3i6a h ALA 183 CO -0.04 0.75 -0.08 1.25 0.00 0.00 0.00 179.25 181.12 3i6a h LEU 184 N 0.33 -0.24 -0.81 0.00 5.85 -0.80 -2.02 115.31 117.63 3i6a h LEU 184 Ca -0.04 0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.83 3i6a h LEU 184 Cb 1.33 0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.39 3i6a h LEU 184 CO 0.13 -0.11 0.45 0.50 -0.34 0.00 0.00 178.44 179.07 3i6a h LYS 185 N -0.11 0.72 -0.00 1.25 3.64 -1.06 -0.75 116.57 120.26 3i6a h LYS 185 Ca 0.05 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i6a h LYS 185 Cb 0.18 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.84 3i6a h LYS 185 CO -0.12 0.48 0.00 1.15 -2.27 0.00 0.00 179.45 178.69 3i6a h THR 186 N 0.74 1.09 -0.16 1.00 2.02 -1.31 -2.03 112.91 114.27 3i6a h THR 186 Ca 0.40 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 3i6a h THR 186 Cb 0.40 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 3i6a h THR 186 CO -0.26 0.07 0.09 0.03 0.37 0.00 0.00 175.52 175.82 3i6a h ARG 187 N -0.11 0.22 -0.53 6.66 3.08 -0.91 -1.86 114.38 120.92 3i6a h ARG 187 Ca 0.00 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 3i6a h ARG 187 Cb 0.12 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3i6a h ARG 187 CO -0.00 0.21 0.00 0.82 -1.07 0.00 0.00 179.97 179.93 3i6a h ILE 188 N 0.17 1.25 0.00 2.04 1.08 -1.20 -1.40 117.51 119.44 3i6a h ILE 188 Ca 0.06 -1.07 -0.01 0.00 -0.39 0.00 0.00 64.86 63.45 3i6a h ILE 188 Cb 0.05 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 34.64 3i6a h ILE 188 CO -0.01 0.38 -0.04 0.28 -0.69 0.00 0.00 178.15 178.07 3i6a h SER 189 N 0.83 0.00 0.85 1.72 0.02 -1.22 -2.44 113.55 113.32 3i6a h SER 189 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3i6a h SER 189 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3i6a h SER 189 CO 0.02 0.04 -0.35 0.59 -1.14 0.00 0.00 176.83 175.99 3i6a n ASN 190 N -3.21 0.48 -4.73 3.07 3.02 -0.55 -3.16 115.26 110.18 3i6a n ASN 190 Ca -0.01 0.15 -0.42 0.00 -0.03 0.00 0.00 54.58 54.27 3i6a n ASN 190 Cb 0.23 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.28 3i6a n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i6a s LEU 191 N -3.56 4.36 0.23 3.41 1.43 -0.92 -4.73 118.68 118.90 3i6a s LEU 191 Ca 0.10 2.89 -0.08 0.00 -1.03 0.00 0.00 54.13 56.02 3i6a s LEU 191 Cb 0.16 -3.61 0.38 0.00 0.03 0.00 0.00 46.19 43.15 3i6a s LEU 191 CO 0.65 -0.96 1.68 -0.65 0.23 0.00 0.00 176.35 177.30 3i6a h PRO 192 N 6.24 0.19 -0.76 1.29 0.11 -1.90 0.31 132.00 137.49 3i6a h PRO 192 Ca -0.44 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3i6a h PRO 192 Cb 1.21 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3i6a h PRO 192 CO 0.91 0.13 0.25 1.79 -0.21 0.00 0.00 178.00 180.87 3i6a h THR 193 N 0.20 1.26 -0.17 -1.15 1.35 -1.87 -1.70 112.91 110.83 3i6a h THR 193 Ca 0.37 -0.90 -0.22 0.00 -0.55 0.00 0.00 66.41 65.12 3i6a h THR 193 Cb 0.61 0.41 0.01 0.00 -1.73 0.00 0.00 68.15 67.44 3i6a h THR 193 CO -0.51 0.36 -0.74 0.58 -0.25 0.00 0.00 175.52 174.95 3i6a h VAL 194 N 1.13 1.28 -0.68 6.82 2.07 -1.55 -2.25 116.25 123.07 3i6a h VAL 194 Ca 0.25 -1.95 0.10 0.00 0.82 0.00 0.00 66.70 65.92 3i6a h VAL 194 Cb 0.29 1.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 3i6a h VAL 194 CO -0.01 0.62 0.31 0.50 0.02 0.00 0.00 177.57 179.01 3i6a h LYS 195 N 0.54 0.51 0.72 1.57 3.64 -0.24 -0.35 116.57 122.95 3i6a h LYS 195 Ca -0.04 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 3i6a h LYS 195 Cb 1.36 -0.12 0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3i6a h LYS 195 CO 0.15 0.34 -0.34 -0.22 -2.27 0.00 0.00 179.45 177.11 3i6a h LYS 196 N 0.53 -0.93 -0.98 1.90 3.64 -1.21 -2.31 116.57 117.21 3i6a h LYS 196 Ca 0.34 0.06 0.22 0.00 -1.27 0.00 0.00 60.65 60.00 3i6a h LYS 196 Cb 0.40 0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 32.31 3i6a h LYS 196 CO -0.29 -0.61 0.56 0.35 -2.27 0.00 0.00 179.45 177.18 3i6a h PHE 197 N -0.98 0.96 0.00 1.91 3.57 -1.02 0.78 116.94 122.17 3i6a h PHE 197 Ca -0.10 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 3i6a h PHE 197 Cb 0.74 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 3i6a h PHE 197 CO -0.02 0.11 -0.01 -0.07 -2.23 0.00 0.00 178.31 176.09 3i6a h LEU 198 N 0.62 0.00-10.41 0.59 3.38 -0.88 -3.41 115.31 105.20 3i6a h LEU 198 Ca 0.60 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 58.07 3i6a h LEU 198 Cb 1.05 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.88 3i6a h LEU 198 CO -0.45 0.01 0.39 -1.10 0.09 0.00 0.00 178.44 177.39 3i6a s GLN 199 N -3.65 2.93 0.68 1.13 -0.21 0.27 -4.97 119.66 115.84 3i6a s GLN 199 Ca 0.01 0.66 -0.17 0.00 0.02 0.00 0.00 55.36 55.89 3i6a s GLN 199 Cb 0.09 -2.01 0.01 0.00 1.00 0.00 0.00 33.01 32.09 3i6a s GLN 199 CO 0.55 -1.03 1.21 -2.30 -2.12 0.00 0.00 175.29 171.60 3i6a n PRO 200 N -3.04 0.84 -0.99 2.91 -0.01 -1.26 -3.36 135.00 130.08 3i6a n PRO 200 Ca 0.07 0.35 0.00 0.00 -0.01 0.00 0.00 63.50 63.90 3i6a n PRO 200 Cb 0.55 -2.45 0.00 0.00 -0.01 0.00 0.00 33.50 31.60 3i6a n PRO 200 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3i6a n GLY 201 N 0.91 0.70 3.92 -1.23 0.00 -1.26 -5.03 105.19 103.19 3i6a n GLY 201 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3i6a n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i6a s SER 202 N -2.42 3.15 0.00 1.61 1.04 -1.21 -4.94 113.70 110.92 3i6a s SER 202 Ca 0.00 0.30 0.18 0.00 0.48 0.00 0.00 55.95 56.91 3i6a s SER 202 Cb 0.00 -0.37 1.06 0.00 0.10 0.00 0.00 66.02 66.81 3i6a s SER 202 CO 0.00 -2.72 1.49 -2.65 0.98 0.00 0.00 173.24 170.34 3i6a n PRO 203 N -3.76 0.53 -1.71 4.02 -0.02 -1.26 -4.80 135.00 128.00 3i6a n PRO 203 Ca 0.15 0.01 -0.43 0.00 -2.02 0.00 0.00 63.50 61.22 3i6a n PRO 203 Cb 0.59 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.54 3i6a n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i6a n ARG 204 N -1.03 2.72 -3.80 -0.52 0.63 -1.26 -4.97 116.66 108.43 3i6a n ARG 204 Ca 0.13 0.98 -0.30 0.00 -0.92 0.00 0.00 57.85 57.74 3i6a n ARG 204 Cb 0.07 -2.83 -0.04 0.00 0.45 0.00 0.00 32.46 30.11 3i6a n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3i6a s LYS 205 N 1.50 3.51 0.89 -0.14 -0.14 -1.26 -4.98 119.74 119.12 3i6a s LYS 205 Ca 0.77 -0.32 -0.11 0.00 -1.36 0.00 0.00 55.97 54.94 3i6a s LYS 205 Cb -0.52 -2.93 0.12 0.00 -1.68 0.00 0.00 37.83 32.83 3i6a s LYS 205 CO 0.34 0.51 1.09 -1.25 -0.76 0.00 0.00 175.35 175.28 3i6a s PRO 206 N -2.80 1.33 0.44 -1.68 0.04 -1.26 -4.87 135.00 126.21 3i6a s PRO 206 Ca 0.38 0.91 -0.26 0.00 0.04 0.00 0.00 61.00 62.07 3i6a s PRO 206 Cb -0.12 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 3i6a s PRO 206 CO 0.27 -2.21 1.45 -1.25 0.04 0.00 0.00 177.00 175.29 3i6a s PRO 207 N -4.90 3.74 0.20 0.56 0.04 -1.26 -4.41 135.00 128.97 3i6a s PRO 207 Ca 0.63 2.46 -0.31 0.00 0.04 0.00 0.00 61.00 63.82 3i6a s PRO 207 Cb -0.18 -2.70 -0.11 0.00 0.04 0.00 0.00 34.50 31.55 3i6a s PRO 207 CO 0.57 -0.79 1.61 -1.25 0.04 0.00 0.00 177.00 177.18 3i6a s PRO 208 N -2.40 4.18 0.46 0.56 0.04 -1.26 -5.01 135.00 131.57 3i6a s PRO 208 Ca 0.60 2.45 0.06 0.00 0.04 0.00 0.00 61.00 64.15 3i6a s PRO 208 Cb -0.45 -3.11 0.06 0.00 0.04 0.00 0.00 34.50 31.04 3i6a s PRO 208 CO 0.58 -0.64 0.48 -0.40 0.04 0.00 0.00 177.00 177.06 3i6a n ASP 209 N 3.69 2.11 0.21 6.66 5.68 -1.26 -4.98 116.55 128.66 3i6a n ASP 209 Ca 0.13 -2.41 0.06 0.00 -0.50 0.00 0.00 54.79 52.07 3i6a n ASP 209 Cb 0.38 -0.18 0.55 0.00 -1.14 0.00 0.00 41.12 40.73 3i6a n ASP 209 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i6a h GLU 210 N 0.00 0.06 -0.34 0.11 4.39 -1.97 -2.41 114.58 114.42 3i6a h GLU 210 Ca -0.26 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.31 3i6a h GLU 210 Cb 1.03 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.66 3i6a h GLU 210 CO 0.39 0.12 -0.30 0.82 -1.16 0.00 0.00 179.01 178.88 3i6a h ILE 211 N 0.06 1.29 0.01 3.13 1.08 -1.99 -1.85 117.51 119.25 3i6a h ILE 211 Ca 0.02 -1.46 -0.00 0.00 -0.39 0.00 0.00 64.86 63.02 3i6a h ILE 211 Cb 0.14 1.46 0.00 0.00 -3.07 0.00 0.00 36.82 35.35 3i6a h ILE 211 CO 0.01 0.48 -0.01 0.22 -0.69 0.00 0.00 178.15 178.16 3i6a h TYR 212 N 0.59 -0.02 -0.97 1.37 5.03 -1.86 -0.04 116.97 121.07 3i6a h TYR 212 Ca 0.06 -0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.50 3i6a h TYR 212 Cb 0.87 0.01 -0.08 0.00 1.55 0.00 0.00 36.73 39.08 3i6a h TYR 212 CO 0.07 0.19 0.62 0.28 -1.32 0.00 0.00 178.16 177.99 3i6a h VAL 213 N -0.22 0.87 -0.14 1.81 2.07 -1.44 0.67 116.25 119.87 3i6a h VAL 213 Ca -0.00 -0.30 -0.21 0.00 0.82 0.00 0.00 66.70 67.01 3i6a h VAL 213 Cb 0.21 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.89 3i6a h VAL 213 CO 0.00 0.16 -0.74 -0.09 0.02 0.00 0.00 177.57 176.92 3i6a h ARG 214 N 0.88 0.68 -0.98 1.57 2.43 -1.05 -2.28 114.38 115.64 3i6a h ARG 214 Ca 0.50 -0.54 0.06 0.00 -0.81 0.00 0.00 59.98 59.19 3i6a h ARG 214 Cb 0.61 0.11 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 3i6a h ARG 214 CO -0.26 1.16 0.63 1.15 -1.51 0.00 0.00 179.97 181.14 3i6a h THR 215 N 0.47 1.09 0.52 0.20 2.02 0.32 -0.14 112.91 117.38 3i6a h THR 215 Ca -0.04 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 3i6a h THR 215 Cb 1.35 -0.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.61 3i6a h THR 215 CO 0.15 0.21 -0.25 0.58 0.37 0.00 0.00 175.52 176.58 3i6a h VAL 216 N 1.14 0.41 -0.44 3.16 2.07 -0.75 -1.98 116.25 119.86 3i6a h VAL 216 Ca 0.42 -0.32 0.09 0.00 0.82 0.00 0.00 66.70 67.70 3i6a h VAL 216 Cb 0.16 0.54 -0.08 0.00 -1.52 0.00 0.00 31.29 30.39 3i6a h VAL 216 CO -0.16 0.05 -0.10 1.88 0.02 0.00 0.00 177.57 179.26 3i6a h TYR 217 N -0.91 -0.21 -1.00 1.57 0.05 -1.35 -1.24 116.97 113.89 3i6a h TYR 217 Ca -0.07 0.04 0.20 0.00 0.05 0.00 0.00 58.73 58.94 3i6a h TYR 217 Cb 0.61 0.16 -0.11 0.00 1.01 0.00 0.00 36.73 38.40 3i6a h TYR 217 CO -0.00 -0.18 0.61 -0.91 -1.05 0.00 0.00 178.16 176.63 3i6a h ASN 218 N 0.01 0.75 -0.27 3.88 4.21 -0.94 -1.43 115.58 121.80 3i6a h ASN 218 Ca 0.21 0.10 -0.06 0.00 1.21 0.00 0.00 56.30 57.76 3i6a h ASN 218 Cb 0.33 -0.04 -0.01 0.00 -1.12 0.00 0.00 38.32 37.48 3i6a h ASN 218 CO -0.44 0.25 -0.05 0.40 -1.29 0.00 0.00 177.43 176.30 3i6a h ILE 219 N 0.72 1.28 -0.01 2.81 2.04 -0.45 -3.41 117.51 120.49 3i6a h ILE 219 Ca 0.58 -1.06 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3i6a h ILE 219 Cb 0.95 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 3i6a h ILE 219 CO -0.37 0.33 0.00 0.49 0.00 0.00 0.00 178.15 178.60