#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 3.82 0.68 0.00 0.41 -1.26 -5.09 118.70 117.27 3i6a s GLU 3 Ca 0.00 -0.29 -0.17 0.00 -0.41 0.00 0.00 54.97 54.10 3i6a s GLU 3 Cb 0.00 -3.21 0.01 0.00 -1.78 0.00 0.00 34.13 29.15 3i6a s GLU 3 CO 0.00 0.41 1.25 1.63 -0.49 0.00 0.00 175.26 178.07 3i6a n LYS 4 N 3.11 0.90 -1.63 1.61 5.02 -1.26 -4.73 118.16 121.18 3i6a n LYS 4 Ca -0.17 0.37 -0.42 0.00 -2.02 0.00 0.00 58.31 56.06 3i6a n LYS 4 Cb 0.53 -2.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.05 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 -2.16 1.58 -4.28 1.97 -0.02 -1.26 -4.76 135.00 126.08 3i6a n PRO 5 Ca 0.15 0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 61.86 3i6a n PRO 5 Cb 0.49 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.71 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 -1.91 3.06 -0.30 -0.52 2.20 0.97 -1.09 119.74 122.14 3i6a s LYS 6 Ca 0.60 -0.81 -0.14 0.00 -0.36 0.00 0.00 55.97 55.26 3i6a s LYS 6 Cb -0.58 -2.58 -0.03 0.00 -1.51 0.00 0.00 37.83 33.12 3i6a s LYS 6 CO 0.59 -0.14 0.34 -0.51 -0.36 0.00 0.00 175.35 175.27 3i6a s LEU 7 N 1.14 4.21 -0.42 5.43 1.02 0.25 -1.10 118.68 129.20 3i6a s LEU 7 Ca 0.01 0.01 -0.13 0.00 0.02 0.00 0.00 54.13 54.04 3i6a s LEU 7 Cb -0.14 -2.33 0.05 0.00 0.02 0.00 0.00 46.19 43.78 3i6a s LEU 7 CO -0.08 -0.23 0.30 -1.00 0.02 0.00 0.00 176.35 175.37 3i6a s HIS 8 N 1.99 3.26 0.30 0.29 3.76 0.01 -0.86 115.29 124.04 3i6a s HIS 8 Ca 0.12 -0.92 -0.19 0.00 -0.15 0.00 0.00 55.06 53.92 3i6a s HIS 8 Cb -0.16 -2.79 0.05 0.00 1.11 0.00 0.00 32.58 30.78 3i6a s HIS 8 CO 0.11 -0.71 0.81 -0.47 -0.85 0.00 0.00 174.74 173.63 3i6a s TYR 9 N 1.60 -0.03 0.92 1.40 5.04 -1.18 -2.74 117.35 122.36 3i6a s TYR 9 Ca 0.04 -0.49 -0.10 0.00 -2.44 0.00 0.00 57.07 54.07 3i6a s TYR 9 Cb -0.21 0.75 0.15 0.00 0.35 0.00 0.00 41.96 43.00 3i6a s TYR 9 CO 0.07 -1.29 1.13 -0.06 -1.34 0.00 0.00 175.55 174.05 3i6a s PHE 10 N -3.01 1.74 -1.26 4.97 0.40 -1.26 -0.96 117.98 118.59 3i6a s PHE 10 Ca 0.14 1.69 -0.19 0.00 -0.60 0.00 0.00 56.93 57.97 3i6a s PHE 10 Cb -0.05 -3.27 0.06 0.00 0.51 0.00 0.00 43.02 40.27 3i6a s PHE 10 CO 0.08 -2.77 1.71 1.21 0.70 0.00 0.00 175.22 176.15 3i6a s ASN 11 N -2.78 6.76 0.00 1.36 3.84 -1.26 -4.79 114.94 118.07 3i6a s ASN 11 Ca 0.66 -2.31 0.00 0.00 0.21 0.00 0.00 52.86 51.42 3i6a s ASN 11 Cb -0.22 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 37.90 3i6a s ASN 11 CO 0.58 -1.25 0.00 0.61 -2.79 0.00 0.00 177.10 174.25 3i6a n GLY 12 N 5.60 -0.92 0.00 1.21 0.00 -1.26 -5.04 105.19 104.78 3i6a n GLY 12 Ca 0.47 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3i6a n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i6a n ARG 13 N -0.11 0.00 0.00 1.61 1.74 -1.26 -4.73 116.66 113.91 3i6a n ARG 13 Ca 0.00 0.20 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3i6a n ARG 13 Cb 0.00 -0.96 0.00 0.00 -1.02 0.00 0.00 32.46 30.48 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 0.73 2.30 0.04 -0.13 0.00 -1.26 -1.60 105.19 105.28 3i6a n GLY 14 Ca 0.00 0.11 0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 13.37 0.26 -0.00 1.61 1.74 -1.26 -3.77 116.66 128.61 3i6a n ARG 15 Ca 0.00 -0.09 0.10 0.00 -0.77 0.00 0.00 57.85 57.10 3i6a n ARG 15 Cb 0.00 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.29 0.24 0.07 5.56 1.56 -0.79 -4.47 117.12 118.00 3i6a n MET 16 Ca 0.09 -0.07 -0.02 0.00 -0.27 0.00 0.00 57.70 57.43 3i6a n MET 16 Cb 0.31 -1.51 0.23 0.00 2.15 0.00 0.00 33.22 34.41 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 0.31 0.00 2.12 4.57 -1.39 -2.62 114.58 117.57 3i6a h GLU 17 Ca 0.00 -0.13 -0.08 0.00 -1.18 0.00 0.00 59.36 57.97 3i6a h GLU 17 Cb 0.68 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.25 3i6a h GLU 17 CO 0.00 0.61 -0.37 0.66 -1.18 0.00 0.00 179.01 178.74 3i6a h SER 18 N 0.27 0.00 -0.22 1.04 4.64 -1.84 -2.03 113.55 115.40 3i6a h SER 18 Ca 0.03 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.15 3i6a h SER 18 Cb 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 3i6a h SER 18 CO 0.06 0.37 -0.64 0.74 -0.87 0.00 0.00 176.83 176.48 3i6a h THR 19 N 0.00 1.27 -0.85 2.95 2.02 -1.76 -2.17 112.91 114.37 3i6a h THR 19 Ca -0.00 -1.83 -0.00 0.00 0.77 0.00 0.00 66.41 65.34 3i6a h THR 19 Cb 0.75 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.89 3i6a h THR 19 CO 0.05 0.59 0.53 0.03 0.37 0.00 0.00 175.52 177.09 3i6a h ARG 20 N 0.62 1.15 -0.24 6.66 3.08 -1.04 -0.08 114.38 124.52 3i6a h ARG 20 Ca -0.01 -0.09 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3i6a h ARG 20 Cb 1.26 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 3i6a h ARG 20 CO 0.14 0.79 -0.02 -1.49 -1.07 0.00 0.00 179.97 178.32 3i6a h TRP 21 N 1.17 0.48 -0.33 3.04 4.06 -1.46 -1.75 115.95 121.16 3i6a h TRP 21 Ca 0.31 -0.09 -0.17 0.00 2.06 0.00 0.00 58.89 61.00 3i6a h TRP 21 Cb -0.08 -0.12 -0.00 0.00 -1.00 0.00 0.00 29.16 27.96 3i6a h TRP 21 CO 0.00 0.63 -0.45 1.25 -3.56 0.00 0.00 178.44 176.30 3i6a h LEU 22 N 0.20 0.93 -0.33 -4.49 5.85 -0.97 0.11 115.31 116.61 3i6a h LEU 22 Ca 0.07 -0.45 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 3i6a h LEU 22 Cb 0.45 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3i6a h LEU 22 CO 0.02 1.24 0.09 -0.07 -0.34 0.00 0.00 178.44 179.37 3i6a h LEU 23 N 0.68 0.49 -0.52 2.25 3.38 -1.04 -1.24 115.31 119.30 3i6a h LEU 23 Ca 0.04 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3i6a h LEU 23 Cb 1.04 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 3i6a h LEU 23 CO 0.10 0.58 -0.06 0.00 0.09 0.00 0.00 178.44 179.16 3i6a h ALA 24 N 0.92 0.71 -0.77 1.53 0.00 -1.17 -0.98 119.26 119.51 3i6a h ALA 24 Ca 0.10 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 54.79 3i6a h ALA 24 Cb 0.28 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 3i6a h ALA 24 CO -0.00 0.58 0.50 0.00 0.00 0.00 0.00 179.25 180.33 3i6a h ALA 25 N 0.93 1.82 0.00 0.00 0.00 -0.65 -1.26 119.26 120.10 3i6a h ALA 25 Ca 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3i6a h ALA 25 Cb 0.61 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i6a h ALA 25 CO 0.04 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3i6a n ALA 26 N -2.46 2.61 -1.33 0.00 0.00 -0.48 -4.74 120.51 114.10 3i6a n ALA 26 Ca 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i6a n ALA 26 Cb 0.35 -1.50 0.00 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 1.01 0.39 3.37 0.00 0.00 -0.48 -5.02 105.19 104.47 3i6a n GLY 27 Ca 0.21 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.00 4.16 0.25 1.61 1.01 -0.46 -5.02 120.40 119.95 3i6a s VAL 28 Ca 0.00 -0.61 -0.30 0.00 0.00 0.00 0.00 61.98 61.08 3i6a s VAL 28 Cb 0.00 -3.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.15 3i6a s VAL 28 CO 0.00 0.08 1.14 -1.61 0.00 0.00 0.00 175.10 174.71 3i6a s GLU 29 N 1.54 4.57 0.18 2.72 2.02 -1.26 -4.19 118.70 124.28 3i6a s GLU 29 Ca 0.03 1.86 -0.00 0.00 0.02 0.00 0.00 54.97 56.88 3i6a s GLU 29 Cb -0.17 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 3i6a s GLU 29 CO 0.04 0.09 0.09 -0.59 0.02 0.00 0.00 175.26 174.90 3i6a s PHE 30 N -0.82 1.11 0.27 1.61 -0.12 -1.26 -4.35 117.98 114.42 3i6a s PHE 30 Ca 0.47 -1.26 0.11 0.00 -0.05 0.00 0.00 56.93 56.20 3i6a s PHE 30 Cb -0.33 -0.59 -0.05 0.00 -0.63 0.00 0.00 43.02 41.42 3i6a s PHE 30 CO 0.41 -0.51 -0.14 -1.21 -0.05 0.00 0.00 175.22 173.72 3i6a s GLU 31 N -4.08 1.86 -0.01 1.99 2.02 -0.25 -5.01 118.70 115.23 3i6a s GLU 31 Ca 0.32 -1.66 0.04 0.00 0.02 0.00 0.00 54.97 53.69 3i6a s GLU 31 Cb 0.07 -1.89 -0.01 0.00 0.10 0.00 0.00 34.13 32.40 3i6a s GLU 31 CO 0.08 0.34 -0.14 -1.21 0.02 0.00 0.00 175.26 174.35 3i6a s GLU 32 N -3.54 1.11 -0.22 1.61 2.02 -1.26 -0.58 118.70 117.84 3i6a s GLU 32 Ca 0.30 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.78 3i6a s GLU 32 Cb -0.05 -1.08 0.05 0.00 0.10 0.00 0.00 34.13 33.14 3i6a s GLU 32 CO 0.16 0.29 -0.11 0.21 0.02 0.00 0.00 175.26 175.84 3i6a s LYS 33 N -0.40 2.11 -0.08 1.61 2.20 -0.04 -4.90 119.74 120.24 3i6a s LYS 33 Ca 0.05 -1.00 -0.19 0.00 -0.36 0.00 0.00 55.97 54.47 3i6a s LYS 33 Cb -0.06 -2.58 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 3i6a s LYS 33 CO -0.00 -0.47 0.53 -0.06 -0.36 0.00 0.00 175.35 174.98 3i6a s PHE 34 N 1.31 3.56 -0.43 4.03 0.08 -1.26 -3.09 117.98 122.18 3i6a s PHE 34 Ca -0.03 1.00 -0.25 0.00 0.12 0.00 0.00 56.93 57.77 3i6a s PHE 34 Cb -0.17 -2.58 0.02 0.00 -0.57 0.00 0.00 43.02 39.72 3i6a s PHE 34 CO -0.07 0.21 0.90 0.42 -0.10 0.00 0.00 175.22 176.58 3i6a s ILE 35 N 0.41 4.53 -0.38 0.64 1.01 -0.14 -4.90 121.20 122.38 3i6a s ILE 35 Ca 0.28 0.82 0.18 0.00 0.00 0.00 0.00 60.65 61.93 3i6a s ILE 35 Cb -0.16 -4.38 -0.25 0.00 0.01 0.00 0.00 42.46 37.68 3i6a s ILE 35 CO 0.13 -0.73 0.56 0.29 0.00 0.00 0.00 174.94 175.19 3i6a n LYS 36 N 6.98 0.79 -4.05 2.79 4.76 -1.26 -4.35 118.16 123.81 3i6a n LYS 36 Ca 0.06 -0.10 -0.10 0.00 -2.87 0.00 0.00 58.31 55.30 3i6a n LYS 36 Cb 0.48 -1.40 -0.06 0.00 -1.84 0.00 0.00 35.03 32.22 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 -3.50 0.10 0.40 4.39 1.04 -1.26 -4.91 113.70 109.95 3i6a s SER 37 Ca -0.01 -1.10 0.21 0.00 0.48 0.00 0.00 55.95 55.52 3i6a s SER 37 Cb 0.13 0.56 0.73 0.00 0.10 0.00 0.00 66.02 67.53 3i6a s SER 37 CO 0.75 -1.11 1.75 0.00 0.98 0.00 0.00 173.24 175.61 3i6a h ALA 38 N 2.31 0.98 0.05 5.32 0.00 -1.82 -2.91 119.26 123.19 3i6a h ALA 38 Ca -0.28 -0.29 -0.23 0.00 0.00 0.00 0.00 54.91 54.11 3i6a h ALA 38 Cb 1.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3i6a h ALA 38 CO 0.39 0.40 -1.05 0.93 0.00 0.00 0.00 179.25 179.92 3i6a h GLU 39 N 0.00 0.17 -0.12 0.00 3.07 -1.96 0.70 114.58 116.43 3i6a h GLU 39 Ca -0.00 -0.24 -0.00 0.00 -0.50 0.00 0.00 59.36 58.61 3i6a h GLU 39 Cb 0.87 0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.86 3i6a h GLU 39 CO 0.04 1.07 0.06 -0.44 -1.40 0.00 0.00 179.01 178.33 3i6a h ASP 40 N 0.06 0.16 -0.28 1.42 3.32 -1.95 -0.56 116.42 118.59 3i6a h ASP 40 Ca -0.07 -0.12 0.02 0.00 0.02 0.00 0.00 57.03 56.88 3i6a h ASP 40 Cb 1.76 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 41.24 3i6a h ASP 40 CO 0.16 0.24 0.11 0.25 -1.72 0.00 0.00 179.24 178.28 3i6a h LEU 41 N 0.06 0.15 -1.99 1.55 5.85 -1.46 -2.92 115.31 116.55 3i6a h LEU 41 Ca 0.04 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3i6a h LEU 41 Cb 0.12 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 3i6a h LEU 41 CO -0.00 0.12 -0.07 0.44 -0.34 0.00 0.00 178.44 178.58 3i6a h ASP 42 N 0.25 0.00 -0.10 1.25 3.32 -0.46 -2.28 116.42 118.39 3i6a h ASP 42 Ca 0.12 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3i6a h ASP 42 Cb 0.07 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3i6a h ASP 42 CO -0.11 0.07 -0.01 0.50 -1.72 0.00 0.00 179.24 177.98 3i6a h LYS 43 N 0.00 0.19 -0.47 3.56 1.63 -0.92 -0.12 116.57 120.43 3i6a h LYS 43 Ca -0.00 -0.07 0.06 0.00 -0.85 0.00 0.00 60.65 59.79 3i6a h LYS 43 Cb 0.15 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.71 3i6a h LYS 43 CO 0.01 0.47 0.19 -0.07 -3.45 0.00 0.00 179.45 176.60 3i6a h LEU 44 N -0.11 0.22 0.22 5.20 3.38 -1.29 0.30 115.31 123.23 3i6a h LEU 44 Ca 0.03 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3i6a h LEU 44 Cb 0.39 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 3i6a h LEU 44 CO 0.01 0.16 -0.12 0.03 0.09 0.00 0.00 178.44 178.61 3i6a h ARG 45 N 0.38 -0.30 0.00 1.13 3.08 -1.43 -1.71 114.38 115.52 3i6a h ARG 45 Ca 0.22 0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 3i6a h ARG 45 Cb 0.20 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3i6a h ARG 45 CO -0.20 -0.20 -0.37 -0.91 -1.07 0.00 0.00 179.97 177.21 3i6a h ASN 46 N -0.31 0.00 0.62 7.04 2.35 -0.79 -1.31 115.58 123.17 3i6a h ASN 46 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3i6a h ASN 46 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3i6a h ASN 46 CO 0.04 0.37 0.00 0.47 -1.65 0.00 0.00 177.43 176.66 3i6a n ASP 47 N -3.95 0.50 0.00 5.81 8.00 0.07 -4.89 116.55 122.10 3i6a n ASP 47 Ca -0.02 0.63 0.00 0.00 0.71 0.00 0.00 54.79 56.12 3i6a n ASP 47 Cb 0.42 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.78 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 -0.11 0.46 0.06 0.44 0.00 -0.49 -4.98 105.19 100.56 3i6a n GLY 48 Ca 0.02 -0.87 0.12 0.00 0.00 0.00 0.00 46.02 45.29 3i6a n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i6a n TYR 49 N -3.68 0.00 -3.92 1.61 4.01 -0.65 -4.77 117.16 109.76 3i6a n TYR 49 Ca 0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 3i6a n TYR 49 Cb 0.39 -0.17 -0.14 0.00 -0.31 0.00 0.00 39.34 39.11 3i6a n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3i6a s LEU 50 N -2.89 4.61 0.36 7.72 1.43 -1.26 -4.89 118.68 123.77 3i6a s LEU 50 Ca 0.13 -1.85 0.12 0.00 -1.03 0.00 0.00 54.13 51.49 3i6a s LEU 50 Cb 0.18 -1.71 0.90 0.00 0.03 0.00 0.00 46.19 45.59 3i6a s LEU 50 CO 0.69 -0.39 1.83 -0.03 0.23 0.00 0.00 176.35 178.68 3i6a h MET 51 N 7.86 0.58 -0.15 1.70 1.85 -1.86 -1.43 114.93 123.48 3i6a h MET 51 Ca -0.12 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 58.93 3i6a h MET 51 Cb 1.04 -0.13 0.00 0.00 0.43 0.00 0.00 31.60 32.94 3i6a h MET 51 CO 0.58 0.39 0.00 1.19 -0.40 0.00 0.00 176.91 178.66 3i6a n PHE 52 N -4.60 0.39 -1.29 1.39 3.72 -1.26 -4.97 117.46 110.84 3i6a n PHE 52 Ca 0.20 -0.78 -0.10 0.00 -0.05 0.00 0.00 57.45 56.72 3i6a n PHE 52 Cb 0.60 -0.17 -0.04 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.63 -0.98 -4.43 -1.08 1.13 -0.54 -4.99 117.38 105.86 3i6a n GLN 53 Ca 0.14 0.80 -0.25 0.00 -1.94 0.00 0.00 57.00 55.76 3i6a n GLN 53 Cb 0.62 -4.82 -0.10 0.00 0.11 0.00 0.00 30.24 26.04 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 -2.66 1.71 0.37 -1.09 -0.21 -1.26 -4.99 119.66 111.53 3i6a s GLN 54 Ca 0.00 -1.64 0.08 0.00 0.02 0.00 0.00 55.36 53.81 3i6a s GLN 54 Cb 0.00 -1.85 -0.02 0.00 1.00 0.00 0.00 33.01 32.14 3i6a s GLN 54 CO 0.00 0.36 0.36 0.14 -2.12 0.00 0.00 175.29 174.03 3i6a s VAL 55 N -2.21 3.20 0.42 1.09 -7.23 -1.26 -4.67 120.40 109.73 3i6a s VAL 55 Ca 0.27 -1.31 -0.25 0.00 -1.81 0.00 0.00 61.98 58.89 3i6a s VAL 55 Cb -0.06 -3.11 -0.10 0.00 0.56 0.00 0.00 36.38 33.66 3i6a s VAL 55 CO 0.14 -0.09 1.12 -2.65 -0.31 0.00 0.00 175.10 173.31 3i6a n PRO 56 N -1.49 1.59 -4.52 4.82 -0.02 -1.26 -4.97 135.00 129.15 3i6a n PRO 56 Ca 0.01 0.57 -0.21 0.00 -2.02 0.00 0.00 63.50 61.85 3i6a n PRO 56 Cb 0.60 -2.18 -0.15 0.00 -0.02 0.00 0.00 33.50 31.75 3i6a n PRO 56 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3i6a s MET 57 N -2.09 0.98 -0.10 -0.52 1.75 -1.11 -3.82 119.30 114.39 3i6a s MET 57 Ca 0.62 -0.41 0.02 0.00 -1.25 0.00 0.00 55.69 54.67 3i6a s MET 57 Cb -0.54 -0.94 0.01 0.00 2.84 0.00 0.00 34.83 36.20 3i6a s MET 57 CO 0.57 0.24 -0.17 0.08 -0.65 0.00 0.00 175.02 175.08 3i6a s VAL 58 N -0.21 1.63 -0.23 10.11 1.01 0.40 -0.81 120.40 132.29 3i6a s VAL 58 Ca 0.03 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 3i6a s VAL 58 Cb -0.05 -1.46 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3i6a s VAL 58 CO -0.00 0.47 0.47 -1.61 0.00 0.00 0.00 175.10 174.42 3i6a s GLU 59 N 0.78 4.11 -0.26 2.72 2.02 -0.26 -0.80 118.70 127.00 3i6a s GLU 59 Ca -0.10 0.27 -0.20 0.00 0.02 0.00 0.00 54.97 54.95 3i6a s GLU 59 Cb -0.16 -3.60 0.07 0.00 0.10 0.00 0.00 34.13 30.54 3i6a s GLU 59 CO 0.01 -0.22 0.68 -1.50 0.02 0.00 0.00 175.26 174.25 3i6a s ILE 60 N 1.88 -0.00 -1.72 -1.63 2.07 -0.82 -0.02 121.20 120.96 3i6a s ILE 60 Ca 0.20 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.25 3i6a s ILE 60 Cb -0.15 -0.96 0.18 0.00 0.13 0.00 0.00 42.46 41.66 3i6a s ILE 60 CO 0.09 0.00 0.72 0.47 -1.91 0.00 0.00 174.94 174.31 3i6a n ASP 61 N 3.34 -2.90 -0.11 4.50 8.00 -1.26 -0.92 116.55 127.20 3i6a n ASP 61 Ca -0.16 -1.03 -0.01 0.00 0.71 0.00 0.00 54.79 54.29 3i6a n ASP 61 Cb 0.57 -2.41 -0.01 0.00 -0.02 0.00 0.00 41.12 39.25 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 -1.27 0.51 3.53 0.44 0.00 -1.26 -5.02 105.19 102.12 3i6a n GLY 62 Ca 0.09 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.10 1.89 -0.31 1.61 -1.94 -0.09 -5.11 119.30 114.25 3i6a s MET 63 Ca 0.00 -1.56 0.00 0.00 -1.71 0.00 0.00 55.69 52.43 3i6a s MET 63 Cb 0.00 -1.95 0.07 0.00 2.01 0.00 0.00 34.83 34.95 3i6a s MET 63 CO 0.00 0.37 0.00 0.15 -0.01 0.00 0.00 175.02 175.53 3i6a s LYS 64 N -3.33 2.20 -0.23 2.03 1.02 -1.26 -1.94 119.74 118.23 3i6a s LYS 64 Ca 0.28 -1.44 -0.06 0.00 0.02 0.00 0.00 55.97 54.77 3i6a s LYS 64 Cb -0.06 -3.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 3i6a s LYS 64 CO 0.16 -0.71 0.04 -0.51 -0.92 0.00 0.00 175.35 173.40 3i6a s LEU 65 N 1.15 3.34 0.42 3.17 1.43 0.01 -4.95 118.68 123.25 3i6a s LEU 65 Ca -0.02 -0.21 0.08 0.00 -1.03 0.00 0.00 54.13 52.94 3i6a s LEU 65 Cb -0.20 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.11 3i6a s LEU 65 CO -0.03 0.01 0.31 0.68 0.23 0.00 0.00 176.35 177.55 3i6a s VAL 66 N 1.36 2.53 0.01 -1.59 -7.23 -1.26 -0.46 120.40 113.77 3i6a s VAL 66 Ca 0.05 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 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 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.81 3i6a n GLN 67 N -1.45 -0.84 -0.29 4.82 1.13 -1.25 -4.40 117.38 115.10 3i6a n GLN 67 Ca 0.02 1.02 0.09 0.00 -1.94 0.00 0.00 57.00 56.20 3i6a n GLN 67 Cb 0.63 -0.99 0.25 0.00 0.11 0.00 0.00 30.24 30.24 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 0.67 0.58 -0.03 5.09 2.02 -1.92 -0.27 112.91 119.05 3i6a h THR 68 Ca 0.00 -0.16 -0.15 0.00 0.77 0.00 0.00 66.41 66.88 3i6a h THR 68 Cb 0.00 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 3i6a h THR 68 CO 0.00 0.08 -0.66 0.03 0.37 0.00 0.00 175.52 175.34 3i6a h ARG 69 N 0.46 0.12 -0.14 6.66 3.08 -1.98 -0.85 114.38 121.72 3i6a h ARG 69 Ca 0.50 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.44 3i6a h ARG 69 Cb 0.84 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3i6a h ARG 69 CO -0.46 0.73 0.03 0.00 -1.07 0.00 0.00 179.97 179.20 3i6a h ALA 70 N 1.24 0.19 0.20 0.04 0.00 -1.33 0.10 119.26 119.70 3i6a h ALA 70 Ca -0.01 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3i6a h ALA 70 Cb 1.18 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 3i6a h ALA 70 CO 0.09 -0.16 -0.31 0.82 0.00 0.00 0.00 179.25 179.69 3i6a h ILE 71 N 0.02 0.33 -0.24 0.00 2.04 -1.15 -1.85 117.51 116.67 3i6a h ILE 71 Ca 0.04 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 3i6a h ILE 71 Cb 0.28 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3i6a h ILE 71 CO 0.00 0.00 0.04 -0.07 0.00 0.00 0.00 178.15 178.13 3i6a h LEU 72 N -0.59 0.38 -0.89 1.44 3.38 -1.17 -1.72 115.31 116.15 3i6a h LEU 72 Ca 0.01 -0.25 0.11 0.00 0.09 0.00 0.00 57.88 57.83 3i6a h LEU 72 Cb 0.58 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.15 3i6a h LEU 72 CO -0.14 0.54 0.53 0.78 0.09 0.00 0.00 178.44 180.24 3i6a h ASN 73 N 0.21 0.76 0.64 -0.43 2.35 -0.93 0.21 115.58 118.39 3i6a h ASN 73 Ca 0.07 0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3i6a h ASN 73 Cb 0.31 -0.10 0.01 0.00 0.05 0.00 0.00 38.32 38.59 3i6a h ASN 73 CO 0.00 0.42 -0.31 0.22 -1.65 0.00 0.00 177.43 176.11 3i6a h TYR 74 N 0.86 -0.80 -0.42 1.19 3.20 -1.08 -0.28 116.97 119.64 3i6a h TYR 74 Ca 0.44 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.37 3i6a h TYR 74 Cb 0.42 0.26 -0.08 0.00 1.54 0.00 0.00 36.73 38.87 3i6a h TYR 74 CO -0.04 -0.46 -0.10 0.82 -1.64 0.00 0.00 178.16 176.74 3i6a h ILE 75 N -1.01 0.58 -0.29 1.81 2.04 -1.14 0.15 117.51 119.66 3i6a h ILE 75 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3i6a h ILE 75 Cb 0.70 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3i6a h ILE 75 CO 0.14 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.48 3i6a h ALA 76 N 1.42 0.37 -0.47 1.87 0.00 -0.49 -2.06 119.26 119.88 3i6a h ALA 76 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3i6a h ALA 76 Cb 0.31 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3i6a h ALA 76 CO -0.43 -0.15 0.21 1.03 0.00 0.00 0.00 179.25 179.90 3i6a h SER 77 N 0.38 0.64 -0.84 0.00 0.87 -0.67 -0.69 113.55 113.24 3i6a h SER 77 Ca 0.11 -0.15 0.07 0.00 -1.23 0.00 0.00 61.79 60.58 3i6a h SER 77 Cb -0.03 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 61.70 3i6a h SER 77 CO -0.02 0.61 0.51 0.50 -0.53 0.00 0.00 176.83 177.90 3i6a h LYS 78 N 0.62 0.89 -0.56 2.24 3.64 -0.45 -3.01 116.57 119.94 3i6a h LYS 78 Ca 0.16 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 59.37 3i6a h LYS 78 Cb 0.16 -0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 31.71 3i6a h LYS 78 CO -0.02 0.59 0.12 0.66 -2.27 0.00 0.00 179.45 178.53 3i6a n TYR 79 N -4.66 1.90 -3.60 1.91 4.01 -0.80 -4.95 117.16 110.98 3i6a n TYR 79 Ca 0.13 -1.06 -0.27 0.00 -0.16 0.00 0.00 57.90 56.53 3i6a n TYR 79 Cb 0.20 -0.55 0.02 0.00 -0.31 0.00 0.00 39.34 38.70 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 -0.17 -4.67 -1.21 7.72 3.02 -1.05 -4.86 115.26 114.04 3i6a n ASN 80 Ca 0.33 -0.58 0.09 0.00 -0.03 0.00 0.00 54.58 54.39 3i6a n ASN 80 Cb 1.20 -3.77 0.29 0.00 -0.61 0.00 0.00 39.78 36.89 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 -4.27 4.00 -1.10 3.41 4.77 -0.29 -4.52 117.00 119.00 3i6a n LEU 81 Ca 0.00 -2.28 -0.01 0.00 -0.03 0.00 0.00 56.01 53.69 3i6a n LEU 81 Cb 0.54 -0.46 0.21 0.00 -2.33 0.00 0.00 43.42 41.39 3i6a n LEU 81 CO 0.63 0.82 0.72 0.00 -1.33 0.00 0.00 177.39 178.23 3i6a n TYR 82 N 0.92 1.09 -0.05 -1.77 4.19 -1.17 0.19 117.16 120.56 3i6a n TYR 82 Ca 0.21 -1.39 0.00 0.00 3.31 0.00 0.00 57.90 60.03 3i6a n TYR 82 Cb 0.70 -0.45 0.00 0.00 0.49 0.00 0.00 39.34 40.08 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 -0.96 -2.47 0.00 2.98 0.00 -1.26 -4.45 105.19 99.03 3i6a n GLY 83 Ca 0.30 -1.59 0.08 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.89 1.15 -3.82 1.61 2.85 -1.26 -4.98 118.16 112.82 3i6a n LYS 84 Ca 0.00 -0.07 -0.09 0.00 -1.05 0.00 0.00 58.31 57.10 3i6a n LYS 84 Cb 0.00 -1.32 0.02 0.00 -0.65 0.00 0.00 35.03 33.08 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 -3.17 0.01 0.27 -5.58 1.47 -1.26 -5.04 116.67 103.37 3i6a s ASP 85 Ca 0.00 -1.12 -0.01 0.00 1.18 0.00 0.00 52.55 52.60 3i6a s ASP 85 Cb 0.11 0.84 0.37 0.00 -0.34 0.00 0.00 42.92 43.90 3i6a s ASP 85 CO 0.67 -1.66 1.79 -0.29 0.68 0.00 0.00 175.17 176.36 3i6a h ILE 86 N 2.00 1.23 -0.26 2.11 2.10 -1.96 -0.28 117.51 122.45 3i6a h ILE 86 Ca -0.31 -0.91 -0.15 0.00 1.08 0.00 0.00 64.86 64.57 3i6a h ILE 86 Cb 1.25 0.78 -0.01 0.00 -1.09 0.00 0.00 36.82 37.76 3i6a h ILE 86 CO 0.39 0.33 -0.46 0.11 -1.08 0.00 0.00 178.15 177.44 3i6a h LYS 87 N 0.76 0.69 -0.41 2.19 1.57 -2.00 -1.89 116.57 117.49 3i6a h LYS 87 Ca 0.16 -0.39 -0.10 0.00 -1.87 0.00 0.00 60.65 58.45 3i6a h LYS 87 Cb 0.37 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 3i6a h LYS 87 CO 0.01 1.00 -0.16 0.93 -0.57 0.00 0.00 179.45 180.66 3i6a h GLU 88 N 0.55 0.77 0.00 3.15 5.08 -1.82 -2.80 114.58 119.51 3i6a h GLU 88 Ca 0.03 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.08 3i6a h GLU 88 Cb 1.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3i6a h GLU 88 CO 0.10 0.88 -0.19 0.00 -1.00 0.00 0.00 179.01 178.80 3i6a h ARG 89 N 0.68 0.00 -0.21 2.33 3.08 -0.80 -0.75 114.38 118.71 3i6a h ARG 89 Ca 0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.11 3i6a h ARG 89 Cb 0.65 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3i6a h ARG 89 CO 0.05 0.19 -0.03 0.00 -1.07 0.00 0.00 179.97 179.10 3i6a h ALA 90 N 1.81 0.29 -0.32 0.04 0.00 -1.09 0.22 119.26 120.21 3i6a h ALA 90 Ca -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 3i6a h ALA 90 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3i6a h ALA 90 CO 0.02 0.06 0.20 -0.07 0.00 0.00 0.00 179.25 179.46 3i6a h LEU 91 N 0.14 0.38 -0.06 0.00 3.38 -1.27 -0.66 115.31 117.22 3i6a h LEU 91 Ca 0.06 -0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3i6a h LEU 91 Cb 0.47 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3i6a h LEU 91 CO 0.02 0.31 -0.01 0.40 0.09 0.00 0.00 178.44 179.25 3i6a h ILE 92 N 0.42 0.95 -0.14 1.22 2.04 -0.92 -1.50 117.51 119.58 3i6a h ILE 92 Ca 0.12 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3i6a h ILE 92 Cb -0.01 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 3i6a h ILE 92 CO -0.02 0.00 0.08 0.44 0.00 0.00 0.00 178.15 178.65 3i6a h ASP 93 N 0.01 0.14 -0.32 1.72 3.32 -0.42 -1.63 116.42 119.25 3i6a h ASP 93 Ca 0.03 -0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.15 3i6a h ASP 93 Cb 0.04 -0.03 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3i6a h ASP 93 CO -0.05 0.10 -0.15 -0.03 -1.72 0.00 0.00 179.24 177.39 3i6a h MET 94 N 0.18 -0.10 0.15 3.56 1.85 -0.96 -0.84 114.93 118.77 3i6a h MET 94 Ca 0.05 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.14 3i6a h MET 94 Cb -0.01 0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.04 3i6a h MET 94 CO -0.02 -0.07 -0.07 1.88 -0.40 0.00 0.00 176.91 178.23 3i6a h TYR 95 N -0.10 -0.19 0.00 1.39 0.05 -1.14 -2.80 116.97 114.18 3i6a h TYR 95 Ca 0.16 -0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.86 3i6a h TYR 95 Cb 0.35 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3i6a h TYR 95 CO -0.36 -0.03 -0.37 -0.84 -1.05 0.00 0.00 178.16 175.51 3i6a h ILE 96 N -0.31 0.81 0.00 -2.88 3.07 -1.20 -2.42 117.51 114.58 3i6a h ILE 96 Ca -0.02 -1.59 -0.10 0.00 1.55 0.00 0.00 64.86 64.70 3i6a h ILE 96 Cb 0.25 2.00 -0.01 0.00 -0.27 0.00 0.00 36.82 38.78 3i6a h ILE 96 CO 0.03 0.36 -0.49 -0.33 -1.05 0.00 0.00 178.15 176.68 3i6a h GLU 97 N 0.00 0.00 -0.63 0.16 4.39 -1.09 -0.05 114.58 117.37 3i6a h GLU 97 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3i6a h GLU 97 Cb 0.97 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.59 3i6a h GLU 97 CO 0.05 0.49 0.26 0.78 -1.16 0.00 0.00 179.01 179.42 3i6a h GLY 98 N 1.51 1.01 1.32 -3.84 0.00 -1.17 -2.00 103.07 99.91 3i6a h GLY 98 Ca -0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.72 3i6a h GLY 98 CO 0.06 0.52 0.13 -2.22 0.00 0.00 0.00 176.54 175.03 3i6a h ILE 99 N 0.88 1.23 -0.47 2.60 2.04 -1.16 -2.82 117.51 119.80 3i6a h ILE 99 Ca 0.21 -0.84 -0.13 0.00 1.00 0.00 0.00 64.86 65.10 3i6a h ILE 99 Cb 0.20 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3i6a h ILE 99 CO -0.02 0.31 -0.22 0.00 0.00 0.00 0.00 178.15 178.23 3i6a h ALA 100 N 1.32 0.66 -0.14 1.87 0.00 -0.78 0.50 119.26 122.70 3i6a h ALA 100 Ca 0.18 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3i6a h ALA 100 Cb 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3i6a h ALA 100 CO -0.00 0.65 -0.03 -0.44 0.00 0.00 0.00 179.25 179.43 3i6a h ASP 101 N 0.83 -0.11 -0.42 0.00 3.32 -1.18 0.23 116.42 119.09 3i6a h ASP 101 Ca 0.11 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3i6a h ASP 101 Cb 0.79 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3i6a h ASP 101 CO 0.07 -0.04 0.01 0.25 -1.72 0.00 0.00 179.24 177.81 3i6a h LEU 102 N 0.01 0.72 -1.19 1.55 5.85 -1.36 -2.86 115.31 118.03 3i6a h LEU 102 Ca 0.07 -0.30 0.15 0.00 0.84 0.00 0.00 57.88 58.64 3i6a h LEU 102 Cb 0.10 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 40.85 3i6a h LEU 102 CO -0.14 0.84 0.60 1.23 -0.34 0.00 0.00 178.44 180.64 3i6a h GLY 103 N 0.58 1.38 1.68 3.75 0.00 0.52 -1.04 103.07 109.94 3i6a h GLY 103 Ca 0.12 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.07 3i6a h GLY 103 CO 0.02 0.08 -0.08 -2.09 0.00 0.00 0.00 176.54 174.47 3i6a h GLU 104 N 0.76 0.39 -0.15 4.80 4.57 -0.31 -1.29 114.58 123.35 3i6a h GLU 104 Ca 0.48 -0.09 -0.20 0.00 -1.18 0.00 0.00 59.36 58.37 3i6a h GLU 104 Cb 0.73 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.27 3i6a h GLU 104 CO -0.25 0.49 -0.69 0.52 -1.18 0.00 0.00 179.01 177.90 3i6a h MET 105 N 0.37 0.73 -0.16 1.92 2.86 -1.16 -2.92 114.93 116.57 3i6a h MET 105 Ca 0.08 -0.59 -0.01 0.00 -2.06 0.00 0.00 59.70 57.12 3i6a h MET 105 Cb 0.38 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 3i6a h MET 105 CO 0.02 1.20 0.05 0.82 1.06 0.00 0.00 176.91 180.05 3i6a h ILE 106 N 0.43 1.19 -0.50 -1.22 2.04 -0.97 -1.71 117.51 116.78 3i6a h ILE 106 Ca -0.05 -0.59 -0.01 0.00 1.00 0.00 0.00 64.86 65.21 3i6a h ILE 106 Cb 1.33 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 3i6a h ILE 106 CO 0.14 0.18 0.26 0.40 0.00 0.00 0.00 178.15 179.14 3i6a h ILE 107 N 0.07 1.16 0.00 -0.67 2.04 -1.33 -2.61 117.51 116.17 3i6a h ILE 107 Ca 0.05 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3i6a h ILE 107 Cb 0.24 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3i6a h ILE 107 CO -0.00 0.18 -0.50 0.24 0.00 0.00 0.00 178.15 178.06 3i6a h MET 108 N 0.69 0.00 -0.80 2.37 2.86 -1.45 -3.38 114.93 115.22 3i6a h MET 108 Ca 0.18 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.98 3i6a h MET 108 Cb 0.04 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.59 3i6a h MET 108 CO -0.03 0.00 0.31 1.25 1.06 0.00 0.00 176.91 179.51 3i6a h LEU 109 N 0.00 0.27 -2.56 1.22 5.85 -0.90 -1.09 115.31 118.09 3i6a h LEU 109 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3i6a h LEU 109 Cb 0.99 0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3i6a h LEU 109 CO 0.00 0.06 0.00 -0.65 -0.34 0.00 0.00 178.44 177.51 3i6a h PRO 110 N 0.42 0.00 -0.46 5.25 0.11 -1.75 -2.45 132.00 133.13 3i6a h PRO 110 Ca 0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.56 3i6a h PRO 110 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3i6a h PRO 110 CO -0.45 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 178.53 3i6a n PHE 111 N -3.05 0.86 -1.97 0.65 3.72 -0.42 -4.97 117.46 112.27 3i6a n PHE 111 Ca -0.02 -0.59 -0.34 0.00 -0.05 0.00 0.00 57.45 56.45 3i6a n PHE 111 Cb 0.13 -0.12 0.03 0.00 -0.94 0.00 0.00 39.48 38.57 3i6a n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i6a s PRO 113 N -3.73 4.21 0.40 0.00 0.02 -1.26 -4.87 135.00 129.76 3i6a s PRO 113 Ca 0.70 2.32 0.24 0.00 0.02 0.00 0.00 61.00 64.28 3i6a s PRO 113 Cb -0.22 -3.46 1.36 0.00 0.02 0.00 0.00 34.50 32.20 3i6a s PRO 113 CO 0.35 -0.68 1.60 -1.35 -0.33 0.00 0.00 177.00 176.59 3i6a h PRO 114 N 7.82 0.06 0.00 5.54 0.11 -1.96 0.41 132.00 143.99 3i6a h PRO 114 Ca -0.42 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.66 3i6a h PRO 114 Cb 1.20 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3i6a h PRO 114 CO 0.92 0.04 -0.08 1.49 -0.21 0.00 0.00 178.00 180.16 3i6a h GLU 115 N 0.06 0.00 0.00 1.05 4.22 -2.04 -1.70 114.58 116.18 3i6a h GLU 115 Ca 0.84 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.28 3i6a h GLU 115 Cb 2.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.61 3i6a h GLU 115 CO -0.61 0.08 -0.99 0.39 -2.18 0.00 0.00 179.01 175.71 3i6a n GLU 116 N -4.24 0.27 -0.27 1.92 1.02 0.14 -4.62 120.64 114.87 3i6a n GLU 116 Ca -0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.06 3i6a n GLU 116 Cb 0.16 -1.59 0.06 0.00 -0.02 0.00 0.00 31.44 30.05 3i6a n GLU 116 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3i6a h LYS 117 N 0.00 1.06 -0.68 3.49 3.64 -0.93 -0.89 116.57 122.25 3i6a h LYS 117 Ca 0.00 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3i6a h LYS 117 Cb 0.72 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3i6a h LYS 117 CO 0.00 0.82 0.43 -0.44 -2.27 0.00 0.00 179.45 178.00 3i6a h ASP 118 N 1.04 0.80 0.34 4.20 3.32 -1.82 0.66 116.42 124.95 3i6a h ASP 118 Ca 0.26 -0.04 -0.19 0.00 0.02 0.00 0.00 57.03 57.07 3i6a h ASP 118 Cb 0.11 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 3i6a h ASP 118 CO -0.03 0.61 -0.80 0.00 -1.72 0.00 0.00 179.24 177.30 3i6a h ALA 119 N 1.23 0.54 -0.13 3.45 0.00 -1.76 -1.14 119.26 121.46 3i6a h ALA 119 Ca 0.25 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3i6a h ALA 119 Cb -0.07 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3i6a h ALA 119 CO -0.05 0.80 0.07 -0.22 0.00 0.00 0.00 179.25 179.85 3i6a h LYS 120 N 0.23 0.18 -0.38 0.00 1.63 -0.80 -1.02 116.57 116.41 3i6a h LYS 120 Ca -0.04 -0.02 -0.02 0.00 -0.85 0.00 0.00 60.65 59.72 3i6a h LYS 120 Cb 1.39 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.97 3i6a h LYS 120 CO 0.13 0.20 0.16 1.25 -3.45 0.00 0.00 179.45 177.75 3i6a h LEU 121 N 0.11 0.52 -0.66 5.20 5.85 -0.82 -1.28 115.31 124.23 3i6a h LEU 121 Ca 0.05 -0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.71 3i6a h LEU 121 Cb 0.07 -0.13 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 3i6a h LEU 121 CO -0.01 0.53 0.28 0.00 -0.34 0.00 0.00 178.44 178.90 3i6a h ALA 122 N 1.01 0.89 -0.48 1.25 0.00 -1.15 -1.89 119.26 118.88 3i6a h ALA 122 Ca 0.13 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3i6a h ALA 122 Cb 0.17 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i6a h ALA 122 CO -0.01 -0.15 0.26 1.25 0.00 0.00 0.00 179.25 180.60 3i6a h LEU 123 N 0.47 0.60 -0.31 0.00 5.85 -0.82 -1.04 115.31 120.06 3i6a h LEU 123 Ca 0.34 -0.09 0.06 0.00 0.84 0.00 0.00 57.88 59.02 3i6a h LEU 123 Cb 0.42 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 3i6a h LEU 123 CO -0.31 0.52 -0.00 0.40 -0.34 0.00 0.00 178.44 178.70 3i6a h ILE 124 N 0.64 0.77 -0.64 4.05 2.04 -0.70 -0.85 117.51 122.81 3i6a h ILE 124 Ca 0.17 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3i6a h ILE 124 Cb 0.05 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3i6a h ILE 124 CO -0.03 0.02 0.42 0.11 0.00 0.00 0.00 178.15 178.67 3i6a h LYS 125 N 0.09 0.85 -0.32 2.37 1.57 -1.25 0.97 116.57 120.85 3i6a h LYS 125 Ca 0.15 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 3i6a h LYS 125 Cb 0.20 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 3i6a h LYS 125 CO -0.26 0.57 0.04 0.93 -0.57 0.00 0.00 179.45 180.17 3i6a h GLU 126 N 0.87 0.15 -0.58 3.15 5.08 -0.73 -1.85 114.58 120.67 3i6a h GLU 126 Ca 0.23 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 3i6a h GLU 126 Cb -0.09 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 3i6a h GLU 126 CO -0.05 0.10 -0.03 0.87 -1.00 0.00 0.00 179.01 178.90 3i6a h LYS 127 N 0.15 1.04 -0.12 2.33 1.57 -0.66 0.59 116.57 121.47 3i6a h LYS 127 Ca 0.15 -0.34 0.04 0.00 -1.87 0.00 0.00 60.65 58.64 3i6a h LYS 127 Cb 0.18 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.35 3i6a h LYS 127 CO -0.22 1.03 -0.19 0.82 -0.57 0.00 0.00 179.45 180.33 3i6a h ILE 128 N 0.94 0.53 0.00 1.86 2.04 -0.64 0.47 117.51 122.70 3i6a h ILE 128 Ca 0.16 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.86 3i6a h ILE 128 Cb 0.58 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3i6a h ILE 128 CO 0.03 0.00 -0.89 0.07 0.00 0.00 0.00 178.15 177.37 3i6a h LYS 129 N -0.24 0.00 0.00 2.37 2.10 -1.11 -0.95 116.57 118.74 3i6a h LYS 129 Ca 0.10 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.52 3i6a h LYS 129 Cb 0.38 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.66 3i6a h LYS 129 CO -0.26 0.60 -2.23 -1.71 -2.00 0.00 0.00 179.45 173.84 3i6a n ASN 130 N -3.18 0.05 0.01 7.07 5.15 0.18 -4.39 115.26 120.15 3i6a n ASN 130 Ca -0.02 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 53.93 3i6a n ASN 130 Cb 0.83 1.37 -0.01 0.00 -0.53 0.00 0.00 39.78 41.44 3i6a n ASN 130 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 3i6a n ARG 131 N -2.56 0.14 -0.08 1.20 0.63 -0.02 -4.74 116.66 111.24 3i6a n ARG 131 Ca -0.22 0.05 -0.15 0.00 -0.92 0.00 0.00 57.85 56.61 3i6a n ARG 131 Cb 0.93 -0.74 -0.12 0.00 0.45 0.00 0.00 32.46 32.99 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 -0.25 0.00 -0.40 -0.14 0.05 -1.13 -2.85 116.97 112.25 3i6a h TYR 132 Ca -0.03 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.76 3i6a h TYR 132 Cb 0.42 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.14 3i6a h TYR 132 CO -0.09 1.07 0.25 0.74 -1.05 0.00 0.00 178.16 179.07 3i6a h PHE 133 N -1.00 0.46 -0.86 4.88 -1.00 -1.39 -1.97 116.94 116.06 3i6a h PHE 133 Ca -0.09 0.01 0.08 0.00 2.81 0.00 0.00 57.97 60.79 3i6a h PHE 133 Cb 1.03 -0.15 -0.07 0.00 3.61 0.00 0.00 35.95 40.37 3i6a h PHE 133 CO 0.21 0.28 0.52 -1.35 -1.61 0.00 0.00 178.31 176.36 3i6a h PRO 134 N 0.50 0.87 -0.55 1.51 0.11 -1.77 -0.78 132.00 131.89 3i6a h PRO 134 Ca 0.15 -0.05 0.06 0.00 0.11 0.00 0.00 66.00 66.27 3i6a h PRO 134 Cb -0.02 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 30.84 3i6a h PRO 134 CO -0.06 0.57 0.25 0.00 -0.21 0.00 0.00 178.00 178.56 3i6a h ALA 135 N 1.44 0.71 0.18 -0.75 0.00 -1.13 -0.11 119.26 119.60 3i6a h ALA 135 Ca 0.40 0.04 -0.31 0.00 0.00 0.00 0.00 54.91 55.04 3i6a h ALA 135 Cb 0.29 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.08 3i6a h ALA 135 CO -0.22 -0.12 -1.34 0.74 0.00 0.00 0.00 179.25 178.31 3i6a h PHE 136 N 0.47 0.87 -0.76 0.00 0.04 -0.99 -2.73 116.94 113.85 3i6a h PHE 136 Ca 0.26 -0.60 0.10 0.00 2.80 0.00 0.00 57.97 60.52 3i6a h PHE 136 Cb 0.23 -0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.26 3i6a h PHE 136 CO -0.13 1.46 0.40 1.49 -0.60 0.00 0.00 178.31 180.93 3i6a h GLU 137 N 0.17 0.64 -0.46 1.51 4.57 -1.03 -2.01 114.58 117.97 3i6a h GLU 137 Ca -0.20 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3i6a h GLU 137 Cb 2.04 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 30.46 3i6a h GLU 137 CO 0.25 0.43 0.31 -0.22 -1.18 0.00 0.00 179.01 178.59 3i6a h LYS 138 N 0.66 0.61 -0.34 1.92 3.64 -0.87 -0.59 116.57 121.61 3i6a h LYS 138 Ca 0.37 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.77 3i6a h LYS 138 Cb 0.38 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 3i6a h LYS 138 CO -0.27 0.40 0.06 0.28 -2.27 0.00 0.00 179.45 177.66 3i6a h VAL 139 N 0.63 0.83 -0.61 2.00 2.07 -1.13 0.15 116.25 120.18 3i6a h VAL 139 Ca 0.17 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.59 3i6a h VAL 139 Cb -0.07 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 3i6a h VAL 139 CO -0.04 0.03 0.22 -0.07 0.02 0.00 0.00 177.57 177.74 3i6a h LEU 140 N 0.17 0.86 -0.97 2.57 3.38 -1.12 -2.44 115.31 117.77 3i6a h LEU 140 Ca 0.16 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3i6a h LEU 140 Cb 0.18 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3i6a h LEU 140 CO -0.21 0.81 -0.34 0.50 0.09 0.00 0.00 178.44 179.29 3i6a h LYS 141 N 0.86 0.33 -0.76 1.13 3.64 -0.85 0.26 116.57 121.17 3i6a h LYS 141 Ca 0.20 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3i6a h LYS 141 Cb 0.24 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.00 3i6a h LYS 141 CO -0.01 0.63 0.50 0.66 -2.27 0.00 0.00 179.45 178.96 3i6a h SER 142 N 0.28 0.80 -0.00 4.20 4.64 -0.20 -3.27 113.55 120.00 3i6a h SER 142 Ca 0.03 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3i6a h SER 142 Cb 0.74 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3i6a h SER 142 CO 0.06 0.55 -0.09 0.00 -0.87 0.00 0.00 176.83 176.48 3i6a n HIS 143 N -4.45 0.00 -1.35 4.77 1.44 -1.17 -5.02 115.22 109.44 3i6a n HIS 143 Ca 0.10 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.69 3i6a n HIS 143 Cb 0.11 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.17 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 0.96 1.16 3.96 -1.39 0.00 0.07 -4.98 105.19 104.97 3i6a n GLY 144 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.96 3.14 0.30 1.61 -0.21 -1.26 -5.00 119.66 115.28 3i6a s GLN 145 Ca 0.00 -0.52 0.26 0.00 0.02 0.00 0.00 55.36 55.11 3i6a s GLN 145 Cb 0.00 -2.60 0.98 0.00 1.00 0.00 0.00 33.01 32.38 3i6a s GLN 145 CO 0.00 -0.17 1.76 -0.44 -2.12 0.00 0.00 175.29 174.32 3i6a h ASP 146 N 0.51 0.00 -4.27 5.90 3.32 -1.93 -3.45 116.42 116.49 3i6a h ASP 146 Ca -0.47 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.13 3i6a h ASP 146 Cb 1.25 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.59 3i6a h ASP 146 CO 0.57 0.00 -0.79 -0.31 -1.72 0.00 0.00 179.24 177.00 3i6a s TYR 147 N -3.32 1.42 0.20 4.55 2.02 -1.26 -4.92 117.35 116.03 3i6a s TYR 147 Ca 0.05 -0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 56.17 3i6a s TYR 147 Cb 0.10 -0.77 0.14 0.00 -0.40 0.00 0.00 41.96 41.02 3i6a s TYR 147 CO 0.47 0.12 1.87 -0.07 -1.57 0.00 0.00 175.55 176.37 3i6a h LEU 148 N 4.01 0.84 -7.75 -1.29 3.38 -1.87 -3.41 115.31 109.22 3i6a h LEU 148 Ca -0.42 -0.03 -0.43 0.00 0.09 0.00 0.00 57.88 57.09 3i6a h LEU 148 Cb 1.19 -0.21 -0.34 0.00 0.09 0.00 0.00 40.66 41.39 3i6a h LEU 148 CO 0.43 0.62 -0.78 -0.69 0.09 0.00 0.00 178.44 178.11 3i6a s VAL 149 N -6.09 0.61 -0.74 1.22 1.01 -1.26 -4.86 120.40 110.28 3i6a s VAL 149 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.70 3i6a s VAL 149 Cb 0.15 -0.63 0.00 0.00 0.00 0.00 0.00 36.38 35.89 3i6a s VAL 149 CO 0.78 0.25 0.00 0.61 0.00 0.00 0.00 175.10 176.73 3i6a n GLY 150 N 4.13 0.89 2.84 4.51 0.00 -1.26 -3.05 105.19 113.26 3i6a n GLY 150 Ca -0.23 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.17 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 0.20 -4.47 -3.61 1.61 5.15 -1.26 -4.94 115.26 107.93 3i6a n ASN 151 Ca -0.07 -0.10 -0.11 0.00 -0.60 0.00 0.00 54.58 53.70 3i6a n ASN 151 Cb 0.29 -3.71 -0.04 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 -5.48 1.08 0.18 1.20 -2.85 -1.17 -4.89 119.74 107.81 3i6a s LYS 152 Ca 0.19 -0.67 -0.33 0.00 -1.00 0.00 0.00 55.97 54.15 3i6a s LYS 152 Cb -0.09 0.48 -0.13 0.00 -2.06 0.00 0.00 37.83 36.02 3i6a s LYS 152 CO 0.23 -0.43 1.59 -0.11 0.10 0.00 0.00 175.35 176.74 3i6a n LEU 153 N -0.21 3.29 -4.30 2.77 7.94 -1.26 -4.56 117.00 120.66 3i6a n LEU 153 Ca -0.16 1.08 -0.18 0.00 -1.11 0.00 0.00 56.01 55.64 3i6a n LEU 153 Cb 0.64 -1.46 -0.09 0.00 0.53 0.00 0.00 43.42 43.04 3i6a n LEU 153 CO 0.17 -0.21 -0.16 -0.94 -1.11 0.00 0.00 177.39 175.14 3i6a s SER 154 N 0.91 1.46 0.55 1.96 1.04 -1.26 -4.79 113.70 113.56 3i6a s SER 154 Ca 0.77 -1.65 0.22 0.00 0.48 0.00 0.00 55.95 55.77 3i6a s SER 154 Cb -0.64 0.49 1.51 0.00 0.10 0.00 0.00 66.02 67.48 3i6a s SER 154 CO 0.38 -0.98 2.19 0.08 0.98 0.00 0.00 173.24 175.89 3i6a h ARG 155 N 2.21 0.00 -0.74 4.02 0.11 -0.64 -2.75 114.38 116.60 3i6a h ARG 155 Ca -0.29 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.77 3i6a h ARG 155 Cb 1.24 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.29 3i6a h ARG 155 CO 0.44 0.01 0.39 0.00 0.10 0.00 0.00 179.97 180.90 3i6a h ALA 156 N 1.99 0.95 -0.49 0.08 0.00 -1.89 0.27 119.26 120.18 3i6a h ALA 156 Ca -0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 3i6a h ALA 156 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3i6a h ALA 156 CO 0.00 0.49 -0.17 -0.44 0.00 0.00 0.00 179.25 179.12 3i6a h ASP 157 N 1.03 0.97 -0.07 0.00 3.32 -1.89 -0.13 116.42 119.66 3i6a h ASP 157 Ca 0.26 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3i6a h ASP 157 Cb 0.07 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 3i6a h ASP 157 CO -0.04 1.12 0.01 0.40 -1.72 0.00 0.00 179.24 179.01 3i6a h ILE 158 N 0.84 1.23 -0.62 0.35 1.08 -1.47 -0.72 117.51 118.21 3i6a h ILE 158 Ca 0.12 -0.72 -0.03 0.00 -0.39 0.00 0.00 64.86 63.83 3i6a h ILE 158 Cb 0.73 1.58 -0.03 0.00 -3.07 0.00 0.00 36.82 36.03 3i6a h ILE 158 CO 0.06 0.20 0.25 0.45 -0.69 0.00 0.00 178.15 178.42 3i6a h HIS 159 N -0.14 0.90 -0.06 1.37 3.86 -0.41 -1.53 115.15 119.15 3i6a h HIS 159 Ca 0.02 -0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 3i6a h HIS 159 Cb 0.31 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 3i6a h HIS 159 CO 0.02 0.70 -0.02 1.25 0.86 0.00 0.00 177.93 180.74 3i6a h LEU 160 N 0.89 0.12 -1.16 2.43 5.85 -0.94 -2.52 115.31 119.97 3i6a h LEU 160 Ca 0.21 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3i6a h LEU 160 Cb 0.17 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 3i6a h LEU 160 CO -0.02 0.48 0.35 0.58 -0.34 0.00 0.00 178.44 179.49 3i6a h VAL 161 N -0.25 1.21 -0.26 1.05 2.07 -0.97 -0.69 116.25 118.41 3i6a h VAL 161 Ca 0.01 -0.54 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3i6a h VAL 161 Cb 0.43 0.32 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3i6a h VAL 161 CO 0.01 0.23 0.05 -0.08 0.02 0.00 0.00 177.57 177.80 3i6a h GLU 162 N 0.94 0.14 -0.98 1.57 4.81 -1.23 -1.54 114.58 118.28 3i6a h GLU 162 Ca 0.24 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 3i6a h GLU 162 Cb 0.05 -0.03 -0.07 0.00 0.63 0.00 0.00 28.75 29.33 3i6a h GLU 162 CO -0.04 0.09 0.63 1.25 -0.73 0.00 0.00 179.01 180.22 3i6a h LEU 163 N 0.14 1.00 -0.66 1.64 5.85 -0.71 -2.20 115.31 120.37 3i6a h LEU 163 Ca 0.12 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.78 3i6a h LEU 163 Cb 0.13 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 3i6a h LEU 163 CO -0.16 0.63 0.11 -0.07 -0.34 0.00 0.00 178.44 178.60 3i6a h LEU 164 N 1.13 1.06 -0.24 2.25 3.38 -0.63 0.12 115.31 122.37 3i6a h LEU 164 Ca 0.43 -0.26 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3i6a h LEU 164 Cb 0.20 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3i6a h LEU 164 CO -0.18 1.05 0.04 1.88 0.09 0.00 0.00 178.44 181.31 3i6a h TYR 165 N 1.02 0.06 -1.01 1.13 0.05 -0.89 -0.21 116.97 117.13 3i6a h TYR 165 Ca 0.20 0.02 0.01 0.00 0.05 0.00 0.00 58.73 59.01 3i6a h TYR 165 Cb 0.44 0.01 -0.05 0.00 1.01 0.00 0.00 36.73 38.14 3i6a h TYR 165 CO 0.03 0.01 0.67 -0.92 -1.05 0.00 0.00 178.16 176.90 3i6a h TYR 166 N 0.12 1.26 -0.60 4.88 5.03 -0.94 -2.36 116.97 124.36 3i6a h TYR 166 Ca 0.11 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.35 3i6a h TYR 166 Cb 0.12 -0.43 -0.02 0.00 1.55 0.00 0.00 36.73 37.95 3i6a h TYR 166 CO -0.16 0.78 -0.01 0.28 -1.32 0.00 0.00 178.16 177.73 3i6a h VAL 167 N 1.35 1.27 -0.96 1.81 2.07 -0.33 -2.52 116.25 118.93 3i6a h VAL 167 Ca 0.37 -1.16 0.09 0.00 0.82 0.00 0.00 66.70 66.82 3i6a h VAL 167 Cb -0.13 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 3i6a h VAL 167 CO -0.09 0.42 0.60 -0.08 0.02 0.00 0.00 177.57 178.45 3i6a h GLU 168 N 0.96 1.00 -0.18 1.57 4.81 -0.71 0.92 114.58 122.95 3i6a h GLU 168 Ca 0.17 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3i6a h GLU 168 Cb 0.57 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3i6a h GLU 168 CO 0.03 0.66 0.09 0.93 -0.73 0.00 0.00 179.01 180.00 3i6a h GLU 169 N 1.03 0.26 0.08 1.92 5.08 -1.19 -3.12 114.58 118.65 3i6a h GLU 169 Ca 0.45 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 3i6a h GLU 169 Cb 0.31 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.52 3i6a h GLU 169 CO -0.22 0.29 -0.04 1.25 -1.00 0.00 0.00 179.01 179.29 3i6a h LEU 170 N 0.18 -0.09 -6.18 1.33 6.46 -0.95 -3.44 115.31 112.61 3i6a h LEU 170 Ca 0.06 -0.11 0.14 0.00 -0.12 0.00 0.00 57.88 57.86 3i6a h LEU 170 Cb 0.11 0.02 -0.21 0.00 -0.73 0.00 0.00 40.66 39.85 3i6a h LEU 170 CO -0.01 0.05 -0.08 -0.62 -0.62 0.00 0.00 178.44 177.16 3i6a s ASP 171 N -5.21 -1.01 0.02 1.25 -1.08 0.25 -5.04 116.67 105.85 3i6a s ASP 171 Ca -0.14 0.79 0.16 0.00 -0.52 0.00 0.00 52.55 52.85 3i6a s ASP 171 Cb 0.05 1.91 0.69 0.00 -1.46 0.00 0.00 42.92 44.11 3i6a s ASP 171 CO 0.65 -0.19 1.52 -1.54 0.52 0.00 0.00 175.17 176.13 3i6a n SER 172 N 5.39 0.05 0.10 -0.34 3.41 -1.18 -2.48 113.62 118.58 3i6a n SER 172 Ca -0.05 0.51 0.04 0.00 -0.26 0.00 0.00 58.87 59.11 3i6a n SER 172 Cb 0.52 -0.52 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3i6a n SER 172 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3i6a h SER 173 N 0.00 0.00 -0.96 4.04 4.64 -1.91 -3.37 113.55 115.99 3i6a h SER 173 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 3i6a h SER 173 Cb 0.28 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.28 3i6a h SER 173 CO 0.00 0.40 0.61 -0.07 -0.87 0.00 0.00 176.83 176.89 3i6a h LEU 174 N 0.00 0.70 -0.00 5.97 3.38 -1.84 0.11 115.31 123.63 3i6a h LEU 174 Ca -0.06 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i6a h LEU 174 Cb 1.35 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3i6a h LEU 174 CO 0.04 0.30 -0.00 0.00 0.09 0.00 0.00 178.44 178.87 3i6a n ILE 175 N -4.64 0.00 -0.05 1.22 3.06 -1.26 -4.44 119.36 113.25 3i6a n ILE 175 Ca 0.20 -0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.45 3i6a n ILE 175 Cb 0.54 -0.49 0.29 0.00 0.54 0.00 0.00 39.64 40.52 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 0.01 0.59 -0.32 9.51 4.64 -0.98 -1.50 113.55 125.51 3i6a h SER 176 Ca 0.00 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3i6a h SER 176 Cb 0.29 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3i6a h SER 176 CO 0.00 0.57 0.00 -1.54 -0.87 0.00 0.00 176.83 174.99 3i6a n SER 177 N -4.33 2.85 -3.57 4.97 3.41 -1.26 -4.60 113.62 111.09 3i6a n SER 177 Ca 0.03 -2.29 -0.27 0.00 -0.26 0.00 0.00 58.87 56.08 3i6a n SER 177 Cb 0.19 -0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 63.57 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 0.42 2.03 0.04 7.33 3.72 -0.56 -4.97 117.46 125.47 3i6a n PHE 178 Ca 0.13 -3.97 0.00 0.00 -0.05 0.00 0.00 57.45 53.57 3i6a n PHE 178 Cb 0.57 -0.39 0.31 0.00 -0.94 0.00 0.00 39.48 39.03 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 4.91 0.41 -0.26 -1.08 0.13 -1.81 -1.37 132.00 132.93 3i6a h PRO 179 Ca 0.18 -0.10 -0.18 0.00 -0.87 0.00 0.00 66.00 65.02 3i6a h PRO 179 Cb 0.78 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.85 3i6a h PRO 179 CO 0.65 0.52 -0.55 -0.07 -0.23 0.00 0.00 178.00 178.32 3i6a h LEU 180 N 0.39 0.89 -0.63 1.56 3.38 -1.94 -0.71 115.31 118.25 3i6a h LEU 180 Ca 0.08 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3i6a h LEU 180 Cb 0.42 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3i6a h LEU 180 CO 0.02 1.26 0.40 -0.07 0.09 0.00 0.00 178.44 180.14 3i6a h LEU 181 N 0.61 0.75 -0.68 1.67 3.38 -1.85 -1.25 115.31 117.95 3i6a h LEU 181 Ca 0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3i6a h LEU 181 Cb 1.15 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3i6a h LEU 181 CO 0.12 0.57 0.38 0.11 0.09 0.00 0.00 178.44 179.70 3i6a h LYS 182 N 0.86 0.94 -0.52 1.13 1.57 -1.01 -1.06 116.57 118.49 3i6a h LYS 182 Ca 0.23 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 3i6a h LYS 182 Cb -0.06 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3i6a h LYS 182 CO -0.05 0.70 0.03 0.00 -0.57 0.00 0.00 179.45 179.56 3i6a h ALA 183 N 1.19 1.06 -0.60 3.86 0.00 -0.94 -2.74 119.26 121.08 3i6a h ALA 183 Ca 0.24 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3i6a h ALA 183 Cb 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3i6a h ALA 183 CO -0.04 0.59 0.07 1.25 0.00 0.00 0.00 179.25 181.13 3i6a h LEU 184 N 0.81 0.98 -0.65 0.00 5.85 -0.94 -0.98 115.31 120.38 3i6a h LEU 184 Ca 0.16 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.67 3i6a h LEU 184 Cb 0.45 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 3i6a h LEU 184 CO 0.02 1.01 0.35 0.50 -0.34 0.00 0.00 178.44 179.97 3i6a h LYS 185 N 0.91 0.62 0.08 1.25 3.64 -1.02 -0.41 116.57 121.64 3i6a h LYS 185 Ca 0.18 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3i6a h LYS 185 Cb 0.46 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 3i6a h LYS 185 CO 0.02 0.41 -0.04 1.15 -2.27 0.00 0.00 179.45 178.72 3i6a h THR 186 N 0.64 1.09 -0.26 1.00 2.02 -1.27 -1.65 112.91 114.48 3i6a h THR 186 Ca 0.30 -0.60 0.03 0.00 0.77 0.00 0.00 66.41 66.91 3i6a h THR 186 Cb 0.22 1.48 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3i6a h THR 186 CO -0.20 0.15 0.09 0.03 0.37 0.00 0.00 175.52 175.96 3i6a h ARG 187 N -0.37 0.21 -0.25 6.66 3.08 -0.90 -1.90 114.38 120.90 3i6a h ARG 187 Ca -0.01 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 59.86 3i6a h ARG 187 Cb 0.32 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.32 3i6a h ARG 187 CO 0.02 0.14 -0.52 0.82 -1.07 0.00 0.00 179.97 179.35 3i6a h ILE 188 N 0.21 1.30 0.00 2.04 1.08 -1.12 -2.47 117.51 118.54 3i6a h ILE 188 Ca 0.11 -1.73 -0.02 0.00 -0.39 0.00 0.00 64.86 62.83 3i6a h ILE 188 Cb 0.08 1.66 -0.00 0.00 -3.07 0.00 0.00 36.82 35.48 3i6a h ILE 188 CO -0.11 0.55 -0.11 0.28 -0.69 0.00 0.00 178.15 178.07 3i6a h SER 189 N 0.56 0.00 1.20 1.72 0.02 -1.11 -1.93 113.55 114.02 3i6a h SER 189 Ca 0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3i6a h SER 189 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3i6a h SER 189 CO 0.11 0.11 0.00 0.59 -1.14 0.00 0.00 176.83 176.50 3i6a n ASN 190 N -3.83 0.51 -4.73 3.07 3.02 -0.73 -3.10 115.26 109.47 3i6a n ASN 190 Ca -0.02 0.56 -0.42 0.00 -0.03 0.00 0.00 54.58 54.67 3i6a n ASN 190 Cb 0.21 -0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 38.66 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 -3.98 4.39 0.28 3.41 1.43 -0.72 -4.75 118.68 118.73 3i6a s LEU 191 Ca 0.11 2.47 -0.01 0.00 -1.03 0.00 0.00 54.13 55.67 3i6a s LEU 191 Cb 0.14 -3.61 0.65 0.00 0.03 0.00 0.00 46.19 43.40 3i6a s LEU 191 CO 0.54 -0.64 1.62 -0.65 0.23 0.00 0.00 176.35 177.45 3i6a h PRO 192 N 5.82 0.11 -0.40 1.29 0.11 -1.89 0.60 132.00 137.65 3i6a h PRO 192 Ca -0.44 -0.01 -0.16 0.00 0.11 0.00 0.00 66.00 65.50 3i6a h PRO 192 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3i6a h PRO 192 CO 0.81 0.07 -0.37 1.79 -0.21 0.00 0.00 178.00 180.10 3i6a h THR 193 N 0.12 1.27 -0.10 -1.15 1.35 -1.87 -1.85 112.91 110.68 3i6a h THR 193 Ca 0.53 -1.54 -0.18 0.00 -0.55 0.00 0.00 66.41 64.67 3i6a h THR 193 Cb 1.04 1.35 0.01 0.00 -1.73 0.00 0.00 68.15 68.82 3i6a h THR 193 CO -0.74 0.52 -0.63 0.58 -0.25 0.00 0.00 175.52 175.00 3i6a h VAL 194 N 0.78 1.34 -0.84 6.82 2.07 -1.45 -2.35 116.25 122.62 3i6a h VAL 194 Ca 0.07 -1.92 0.11 0.00 0.82 0.00 0.00 66.70 65.77 3i6a h VAL 194 Cb 0.96 2.19 -0.08 0.00 -1.52 0.00 0.00 31.29 32.85 3i6a h VAL 194 CO 0.09 0.59 0.47 0.50 0.02 0.00 0.00 177.57 179.24 3i6a h LYS 195 N 0.23 0.73 -0.65 1.57 3.64 0.26 0.14 116.57 122.50 3i6a h LYS 195 Ca -0.05 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.25 3i6a h LYS 195 Cb 1.28 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 3i6a h LYS 195 CO 0.13 0.48 0.27 -0.22 -2.27 0.00 0.00 179.45 177.85 3i6a h LYS 196 N 0.75 0.97 0.00 1.90 3.64 -1.22 -2.25 116.57 120.36 3i6a h LYS 196 Ca 0.42 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 3i6a h LYS 196 Cb 0.45 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 3i6a h LYS 196 CO -0.28 0.81 -0.26 0.35 -2.27 0.00 0.00 179.45 177.80 3i6a h PHE 197 N 0.92 0.00 0.00 1.91 3.57 -0.78 -2.79 116.94 119.77 3i6a h PHE 197 Ca 0.22 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.72 3i6a h PHE 197 Cb 0.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.93 3i6a h PHE 197 CO 0.01 0.26 0.00 1.28 -2.23 0.00 0.00 178.31 177.63 3i6a n LEU 198 N -3.46 0.75 -4.78 0.59 4.77 0.42 -4.55 117.00 110.73 3i6a n LEU 198 Ca -0.00 0.58 -0.33 0.00 -0.03 0.00 0.00 56.01 56.23 3i6a n LEU 198 Cb 0.43 -0.36 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3i6a n LEU 198 CO 0.34 -0.21 0.74 -1.10 -1.33 0.00 0.00 177.39 175.83 3i6a s GLN 199 N -3.12 3.06 0.68 3.23 -0.21 -1.04 -4.97 119.66 117.29 3i6a s GLN 199 Ca 0.10 1.36 -0.17 0.00 0.02 0.00 0.00 55.36 56.67 3i6a s GLN 199 Cb 0.12 -1.99 0.01 0.00 1.00 0.00 0.00 33.01 32.15 3i6a s GLN 199 CO 0.57 -1.04 1.28 -2.14 -2.12 0.00 0.00 175.29 171.85 3i6a s PRO 200 N -3.96 2.37 0.00 2.91 0.02 -1.26 -2.87 135.00 132.22 3i6a s PRO 200 Ca 0.67 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.71 3i6a s PRO 200 Cb -0.19 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.50 3i6a s PRO 200 CO 0.37 -1.73 0.00 0.41 -0.33 0.00 0.00 177.00 175.73 3i6a n GLY 201 N 0.85 0.95 3.88 0.52 0.00 -1.26 -5.04 105.19 105.09 3i6a n GLY 201 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.95 4.04 0.00 1.61 1.04 -1.14 -4.94 113.70 111.36 3i6a s SER 202 Ca 0.00 0.73 0.00 0.00 0.48 0.00 0.00 55.95 57.16 3i6a s SER 202 Cb 0.00 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.95 3i6a s SER 202 CO 0.00 -2.19 0.78 -2.65 0.98 0.00 0.00 173.24 170.16 3i6a n PRO 203 N -3.50 0.00 -1.75 4.02 -0.02 -1.26 -4.79 135.00 127.70 3i6a n PRO 203 Ca 0.09 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 3i6a n PRO 203 Cb 0.60 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.56 3i6a n PRO 203 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3i6a s ARG 204 N -2.57 4.12 0.26 -0.52 3.52 -1.26 -4.97 118.95 117.54 3i6a s ARG 204 Ca 0.00 2.60 0.01 0.00 -0.13 0.00 0.00 55.73 58.20 3i6a s ARG 204 Cb 0.00 -3.06 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 3i6a s ARG 204 CO 0.00 -0.72 0.44 0.15 -0.81 0.00 0.00 175.30 174.36 3i6a s LYS 205 N 0.68 3.50 0.98 5.12 -0.14 -1.26 -5.02 119.74 123.60 3i6a s LYS 205 Ca 0.71 -0.40 -0.13 0.00 -1.36 0.00 0.00 55.97 54.79 3i6a s LYS 205 Cb -0.49 -2.79 0.18 0.00 -1.68 0.00 0.00 37.83 33.05 3i6a s LYS 205 CO 0.37 0.32 1.13 -1.25 -0.76 0.00 0.00 175.35 175.16 3i6a s PRO 206 N -3.75 0.60 0.61 -1.68 0.04 -1.26 -4.88 135.00 124.68 3i6a s PRO 206 Ca 0.38 0.25 -0.17 0.00 0.04 0.00 0.00 61.00 61.51 3i6a s PRO 206 Cb -0.10 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 3i6a s PRO 206 CO 0.31 -2.56 1.11 -1.25 0.04 0.00 0.00 177.00 174.66 3i6a s PRO 207 N -5.25 3.06 0.19 0.56 0.04 -1.26 -4.37 135.00 127.97 3i6a s PRO 207 Ca 0.66 1.46 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 3i6a s PRO 207 Cb -0.15 -1.98 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 3i6a s PRO 207 CO 0.55 -1.05 1.35 -1.25 0.04 0.00 0.00 177.00 176.63 3i6a s PRO 208 N -3.78 4.35 0.40 0.56 0.04 -1.26 -5.01 135.00 130.31 3i6a s PRO 208 Ca 0.69 2.10 0.04 0.00 0.04 0.00 0.00 61.00 63.87 3i6a s PRO 208 Cb -0.21 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.18 3i6a s PRO 208 CO 0.35 -0.32 0.37 -0.40 0.04 0.00 0.00 177.00 177.03 3i6a n ASP 209 N 2.89 2.09 0.02 6.66 5.68 -1.26 -4.95 116.55 127.68 3i6a n ASP 209 Ca 0.08 -2.31 -0.03 0.00 -0.50 0.00 0.00 54.79 52.03 3i6a n ASP 209 Cb 0.42 -0.10 0.21 0.00 -1.14 0.00 0.00 41.12 40.52 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 0.48 -0.58 0.11 4.39 -1.99 -1.14 114.58 115.85 3i6a h GLU 210 Ca -0.24 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.20 3i6a h GLU 210 Cb 0.92 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 3i6a h GLU 210 CO 0.37 0.68 0.00 0.82 -1.16 0.00 0.00 179.01 179.72 3i6a h ILE 211 N 0.43 1.26 -0.37 3.13 2.04 -1.99 -0.58 117.51 121.45 3i6a h ILE 211 Ca 0.07 -1.13 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 3i6a h ILE 211 Cb 0.63 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 3i6a h ILE 211 CO 0.05 0.41 0.08 0.22 0.00 0.00 0.00 178.15 178.90 3i6a h TYR 212 N 0.90 0.63 -0.68 1.37 3.20 -1.85 -1.35 116.97 119.18 3i6a h TYR 212 Ca 0.16 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 3i6a h TYR 212 Cb 0.54 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.61 3i6a h TYR 212 CO 0.04 0.63 0.41 0.28 -1.64 0.00 0.00 178.16 177.88 3i6a h VAL 213 N 0.44 1.20 -0.29 1.81 2.07 -0.99 -1.95 116.25 118.54 3i6a h VAL 213 Ca 0.11 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 67.12 3i6a h VAL 213 Cb 0.33 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 3i6a h VAL 213 CO 0.00 0.21 -0.13 -0.09 0.02 0.00 0.00 177.57 177.58 3i6a h ARG 214 N 0.93 0.49 -0.54 1.57 2.43 -0.99 -2.70 114.38 115.57 3i6a h ARG 214 Ca 0.24 -0.14 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 3i6a h ARG 214 Cb -0.02 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 3i6a h ARG 214 CO -0.05 0.61 -0.10 0.00 -1.51 0.00 0.00 179.97 178.93 3i6a h THR 215 N 0.45 1.27 -0.34 0.20 1.03 -0.71 -0.34 112.91 114.47 3i6a h THR 215 Ca 0.08 -1.25 -0.13 0.00 -0.01 0.00 0.00 66.41 65.10 3i6a h THR 215 Cb 0.49 0.97 -0.01 0.00 -1.07 0.00 0.00 68.15 68.54 3i6a h THR 215 CO 0.03 0.44 -0.31 -0.37 -0.01 0.00 0.00 175.52 175.30 3i6a h VAL 216 N 0.90 1.29 -0.57 0.00 -1.51 -1.19 -2.40 116.25 112.77 3i6a h VAL 216 Ca 0.14 -1.48 0.06 0.00 -1.23 0.00 0.00 66.70 64.19 3i6a h VAL 216 Cb 0.67 1.47 -0.05 0.00 -2.13 0.00 0.00 31.29 31.25 3i6a h VAL 216 CO 0.05 0.48 0.28 1.88 -1.23 0.00 0.00 177.57 179.03 3i6a h TYR 217 N 0.59 0.51 -0.84 5.19 0.05 -1.43 -1.65 116.97 119.39 3i6a h TYR 217 Ca 0.06 0.02 0.20 0.00 0.05 0.00 0.00 58.73 59.06 3i6a h TYR 217 Cb 0.89 -0.15 -0.06 0.00 1.01 0.00 0.00 36.73 38.43 3i6a h TYR 217 CO 0.07 0.23 0.57 -0.97 -1.05 0.00 0.00 178.16 177.00 3i6a h ASN 218 N 0.53 0.31 1.07 3.88 -0.73 -0.83 -0.15 115.58 119.67 3i6a h ASN 218 Ca 0.26 0.03 -0.15 0.00 1.87 0.00 0.00 56.30 58.31 3i6a h ASN 218 Cb 0.19 -0.03 -0.02 0.00 0.27 0.00 0.00 38.32 38.73 3i6a h ASN 218 CO -0.19 0.14 -0.72 0.40 -0.37 0.00 0.00 177.43 176.68 3i6a h ILE 219 N 0.32 1.32 -0.02 2.57 2.04 -0.81 -3.42 117.51 119.52 3i6a h ILE 219 Ca 0.43 -2.66 0.00 0.00 1.00 0.00 0.00 64.86 63.63 3i6a h ILE 219 Cb 1.17 2.51 0.00 0.00 -0.74 0.00 0.00 36.82 39.76 3i6a h ILE 219 CO -0.13 0.71 0.00 0.49 0.00 0.00 0.00 178.15 179.22