#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 2.19 0.47 0.00 8.01 -1.26 -5.11 118.70 123.01 3i6a s GLU 3 Ca 0.00 -0.95 -0.23 0.00 0.01 0.00 0.00 54.97 53.80 3i6a s GLU 3 Cb 0.00 -2.31 -0.09 0.00 -4.31 0.00 0.00 34.13 27.43 3i6a s GLU 3 CO 0.00 0.54 0.99 1.63 0.01 0.00 0.00 175.26 178.43 3i6a n LYS 4 N 1.14 1.24 -1.88 1.61 5.02 -1.26 -4.74 118.16 119.29 3i6a n LYS 4 Ca -0.15 0.45 -0.38 0.00 -2.02 0.00 0.00 58.31 56.22 3i6a n LYS 4 Cb 0.52 -2.09 0.03 0.00 -0.02 0.00 0.00 35.03 33.48 3i6a n LYS 4 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3i6a s PRO 5 N -2.22 3.21 -0.12 1.97 0.02 -1.26 -4.80 135.00 131.80 3i6a s PRO 5 Ca 0.66 2.12 0.02 0.00 0.02 0.00 0.00 61.00 63.83 3i6a s PRO 5 Cb -0.51 -2.25 0.01 0.00 0.02 0.00 0.00 34.50 31.78 3i6a s PRO 5 CO 0.54 -1.10 -0.17 0.21 -0.33 0.00 0.00 177.00 176.16 3i6a s LYS 6 N -2.92 2.42 -0.29 5.54 2.20 -0.47 -1.38 119.74 124.84 3i6a s LYS 6 Ca 0.71 -0.63 -0.10 0.00 -0.36 0.00 0.00 55.97 55.59 3i6a s LYS 6 Cb -0.38 -2.03 -0.02 0.00 -1.51 0.00 0.00 37.83 33.89 3i6a s LYS 6 CO 0.44 -0.05 0.16 -0.51 -0.36 0.00 0.00 175.35 175.03 3i6a s LEU 7 N 0.95 4.00 -0.31 5.43 1.02 -0.12 -1.07 118.68 128.58 3i6a s LEU 7 Ca -0.07 -0.32 -0.11 0.00 0.02 0.00 0.00 54.13 53.65 3i6a s LEU 7 Cb -0.15 -2.03 -0.02 0.00 0.02 0.00 0.00 46.19 44.01 3i6a s LEU 7 CO -0.02 -0.13 0.19 -1.00 0.02 0.00 0.00 176.35 175.41 3i6a s HIS 8 N 1.66 3.20 0.15 0.29 3.76 0.48 -1.12 115.29 123.71 3i6a s HIS 8 Ca 0.06 -0.30 -0.24 0.00 -0.15 0.00 0.00 55.06 54.43 3i6a s HIS 8 Cb -0.16 -2.40 0.08 0.00 1.11 0.00 0.00 32.58 31.21 3i6a s HIS 8 CO 0.07 -0.36 1.07 -0.47 -0.85 0.00 0.00 174.74 174.21 3i6a s TYR 9 N 1.68 0.03 0.74 1.40 5.04 -1.22 -2.68 117.35 122.35 3i6a s TYR 9 Ca 0.06 -0.37 -0.11 0.00 -2.44 0.00 0.00 57.07 54.22 3i6a s TYR 9 Cb -0.17 0.67 0.04 0.00 0.35 0.00 0.00 41.96 42.84 3i6a s TYR 9 CO 0.09 -0.80 1.08 -0.06 -1.34 0.00 0.00 175.55 174.52 3i6a s PHE 10 N -2.34 2.81 -1.26 4.97 0.40 -1.26 -0.85 117.98 120.45 3i6a s PHE 10 Ca 0.21 1.50 -0.19 0.00 -0.60 0.00 0.00 56.93 57.85 3i6a s PHE 10 Cb -0.02 -2.98 0.07 0.00 0.51 0.00 0.00 43.02 40.61 3i6a s PHE 10 CO 0.04 -1.56 1.69 1.21 0.70 0.00 0.00 175.22 177.30 3i6a s ASN 11 N -3.57 6.79 0.00 1.36 3.84 -1.26 -4.77 114.94 117.34 3i6a s ASN 11 Ca 0.60 -2.31 0.00 0.00 0.21 0.00 0.00 52.86 51.36 3i6a s ASN 11 Cb -0.16 -2.58 0.00 0.00 -0.55 0.00 0.00 41.25 37.97 3i6a s ASN 11 CO 0.56 -1.21 0.00 0.61 -2.79 0.00 0.00 177.10 174.26 3i6a n GLY 12 N 5.60 -0.96 0.00 1.21 0.00 -1.26 -5.02 105.19 104.76 3i6a n GLY 12 Ca 0.46 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.04 0.00 0.00 1.61 1.74 -1.26 -4.77 116.66 113.94 3i6a n ARG 13 Ca 0.00 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3i6a n ARG 13 Cb 0.00 -0.90 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 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 0.59 2.04 0.29 -0.13 0.00 -1.26 -2.02 105.19 104.69 3i6a n GLY 14 Ca 0.00 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 11.22 1.39 -0.00 1.61 1.74 -1.26 -3.73 116.66 127.63 3i6a n ARG 15 Ca 0.00 -0.57 0.10 0.00 -0.77 0.00 0.00 57.85 56.60 3i6a n ARG 15 Cb 0.00 -1.47 -0.13 0.00 -1.02 0.00 0.00 32.46 29.84 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 -0.30 0.61 0.04 5.56 1.56 -0.86 -4.62 117.12 119.12 3i6a n MET 16 Ca 0.20 -0.08 -0.02 0.00 -0.27 0.00 0.00 57.70 57.53 3i6a n MET 16 Cb 0.25 -1.44 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 0.41 0.00 2.12 4.57 -1.58 -1.94 114.58 118.16 3i6a h GLU 17 Ca 0.00 -0.15 -0.09 0.00 -1.18 0.00 0.00 59.36 57.94 3i6a h GLU 17 Cb 0.65 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 3i6a h GLU 17 CO 0.00 0.63 -0.44 0.66 -1.18 0.00 0.00 179.01 178.68 3i6a h SER 18 N 0.37 0.00 -0.21 1.04 4.64 -1.85 -1.58 113.55 115.97 3i6a h SER 18 Ca 0.06 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.22 3i6a h SER 18 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3i6a h SER 18 CO 0.05 0.44 -0.47 0.74 -0.87 0.00 0.00 176.83 176.72 3i6a h THR 19 N 0.00 1.31 -0.55 2.95 2.02 -1.68 -2.11 112.91 114.86 3i6a h THR 19 Ca -0.00 -1.70 0.07 0.00 0.77 0.00 0.00 66.41 65.55 3i6a h THR 19 Cb 0.85 1.85 -0.06 0.00 -1.74 0.00 0.00 68.15 69.06 3i6a h THR 19 CO 0.06 0.53 0.23 0.03 0.37 0.00 0.00 175.52 176.74 3i6a h ARG 20 N 0.38 0.42 -0.68 6.66 3.08 -0.93 -1.37 114.38 121.94 3i6a h ARG 20 Ca -0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3i6a h ARG 20 Cb 1.08 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 31.01 3i6a h ARG 20 CO 0.10 0.28 0.30 -1.49 -1.07 0.00 0.00 179.97 178.09 3i6a h TRP 21 N 0.44 1.01 0.11 3.04 4.06 -1.27 -1.93 115.95 121.40 3i6a h TRP 21 Ca 0.26 -0.06 -0.01 0.00 2.06 0.00 0.00 58.89 61.15 3i6a h TRP 21 Cb 0.26 -0.31 0.00 0.00 -1.00 0.00 0.00 29.16 28.12 3i6a h TRP 21 CO -0.14 0.77 -0.05 1.25 -3.56 0.00 0.00 178.44 176.70 3i6a h LEU 22 N 0.95 -0.12 -0.63 -4.49 5.85 -0.92 0.95 115.31 116.90 3i6a h LEU 22 Ca 0.23 -0.41 0.10 0.00 0.84 0.00 0.00 57.88 58.64 3i6a h LEU 22 Cb 0.16 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.15 3i6a h LEU 22 CO -0.02 0.38 0.23 -0.07 -0.34 0.00 0.00 178.44 178.62 3i6a h LEU 23 N -0.68 0.23 -0.63 2.25 3.38 -1.34 0.10 115.31 118.61 3i6a h LEU 23 Ca -0.02 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3i6a h LEU 23 Cb 0.52 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3i6a h LEU 23 CO 0.02 0.13 0.34 0.00 0.09 0.00 0.00 178.44 179.02 3i6a h ALA 24 N 1.44 0.80 -0.52 1.53 0.00 -1.25 0.14 119.26 121.40 3i6a h ALA 24 Ca 0.32 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3i6a h ALA 24 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3i6a h ALA 24 CO -0.32 0.32 0.16 0.00 0.00 0.00 0.00 179.25 179.41 3i6a h ALA 25 N 1.16 1.30 -0.00 0.00 0.00 -0.37 -1.26 119.26 120.09 3i6a h ALA 25 Ca 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i6a h ALA 25 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3i6a h ALA 25 CO -0.03 0.50 -0.01 0.00 0.00 0.00 0.00 179.25 179.71 3i6a n ALA 26 N -2.46 2.61 -2.27 0.00 0.00 -0.02 -4.81 120.51 113.57 3i6a n ALA 26 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 3i6a n ALA 26 Cb 0.20 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 1.13 0.52 3.53 0.00 0.00 -0.40 -5.02 105.19 104.94 3i6a n GLY 27 Ca 0.20 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.48 4.71 0.20 1.61 1.01 0.36 -5.01 120.40 120.80 3i6a s VAL 28 Ca 0.02 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.66 3i6a s VAL 28 Cb -0.01 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 33.09 3i6a s VAL 28 CO 0.03 0.34 1.20 -1.61 0.00 0.00 0.00 175.10 175.05 3i6a s GLU 29 N 1.42 4.49 0.13 2.72 2.02 -1.26 -4.28 118.70 123.93 3i6a s GLU 29 Ca 0.06 1.89 -0.02 0.00 0.02 0.00 0.00 54.97 56.92 3i6a s GLU 29 Cb -0.15 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 3i6a s GLU 29 CO 0.05 -0.08 0.08 -0.59 0.02 0.00 0.00 175.26 174.74 3i6a s PHE 30 N -0.17 0.76 0.24 1.61 -0.12 -1.26 -4.19 117.98 114.85 3i6a s PHE 30 Ca 0.52 -1.15 0.09 0.00 -0.05 0.00 0.00 56.93 56.34 3i6a s PHE 30 Cb -0.33 -0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 41.60 3i6a s PHE 30 CO 0.38 -0.53 -0.01 -1.21 -0.05 0.00 0.00 175.22 173.79 3i6a s GLU 31 N -4.02 2.29 0.04 1.99 2.02 -0.48 -5.00 118.70 115.54 3i6a s GLU 31 Ca 0.21 -1.35 0.06 0.00 0.02 0.00 0.00 54.97 53.92 3i6a s GLU 31 Cb 0.07 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 3i6a s GLU 31 CO 0.00 0.39 -0.19 -1.21 0.02 0.00 0.00 175.26 174.27 3i6a s GLU 32 N -3.46 1.26 -0.25 1.61 2.02 -1.26 -0.94 118.70 117.67 3i6a s GLU 32 Ca 0.30 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.44 3i6a s GLU 32 Cb -0.07 -1.33 0.06 0.00 0.10 0.00 0.00 34.13 32.89 3i6a s GLU 32 CO 0.19 0.34 -0.05 0.21 0.02 0.00 0.00 175.26 175.97 3i6a s LYS 33 N -1.11 1.67 -0.15 1.61 2.20 -0.27 -4.89 119.74 118.80 3i6a s LYS 33 Ca 0.06 -1.11 -0.24 0.00 -0.36 0.00 0.00 55.97 54.32 3i6a s LYS 33 Cb -0.08 -2.65 -0.02 0.00 -1.51 0.00 0.00 37.83 33.56 3i6a s LYS 33 CO 0.01 -0.63 0.77 -0.06 -0.36 0.00 0.00 175.35 175.08 3i6a s PHE 34 N 1.33 3.45 -0.29 4.03 0.08 -1.26 -3.39 117.98 121.93 3i6a s PHE 34 Ca -0.05 1.20 -0.29 0.00 0.12 0.00 0.00 56.93 57.92 3i6a s PHE 34 Cb -0.19 -2.93 0.00 0.00 -0.57 0.00 0.00 43.02 39.33 3i6a s PHE 34 CO -0.07 -0.15 1.27 0.42 -0.10 0.00 0.00 175.22 176.60 3i6a s ILE 35 N 1.76 4.20 -0.02 0.64 1.01 -0.03 -4.88 121.20 123.87 3i6a s ILE 35 Ca 0.37 1.36 0.13 0.00 0.00 0.00 0.00 60.65 62.51 3i6a s ILE 35 Cb -0.17 -4.17 -0.20 0.00 0.01 0.00 0.00 42.46 37.93 3i6a s ILE 35 CO 0.14 -0.44 0.29 0.29 0.00 0.00 0.00 174.94 175.21 3i6a n LYS 36 N 7.19 0.40 -3.94 2.79 4.76 -1.26 -4.35 118.16 123.75 3i6a n LYS 36 Ca 0.14 -0.12 -0.08 0.00 -2.87 0.00 0.00 58.31 55.38 3i6a n LYS 36 Cb 0.46 -1.31 -0.08 0.00 -1.84 0.00 0.00 35.03 32.26 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 0.23 0.32 4.39 1.04 -1.26 -4.87 113.70 110.05 3i6a s SER 37 Ca -0.05 -0.78 0.10 0.00 0.48 0.00 0.00 55.95 55.71 3i6a s SER 37 Cb 0.08 0.30 0.93 0.00 0.10 0.00 0.00 66.02 67.43 3i6a s SER 37 CO 0.54 -0.70 1.69 0.00 0.98 0.00 0.00 173.24 175.76 3i6a h ALA 38 N 2.87 1.76 -0.03 5.32 0.00 -1.76 -2.10 119.26 125.31 3i6a h ALA 38 Ca -0.34 0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 3i6a h ALA 38 Cb 1.18 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3i6a h ALA 38 CO 0.59 -0.41 -0.64 0.93 0.00 0.00 0.00 179.25 179.72 3i6a h GLU 39 N 0.43 0.13 -0.48 0.00 3.07 -1.95 0.11 114.58 115.88 3i6a h GLU 39 Ca 0.66 -0.09 -0.06 0.00 -0.50 0.00 0.00 59.36 59.37 3i6a h GLU 39 Cb 1.37 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.28 3i6a h GLU 39 CO -0.55 0.72 0.08 -0.44 -1.40 0.00 0.00 179.01 177.42 3i6a h ASP 40 N 0.09 0.76 -0.36 1.42 3.32 -1.79 -0.99 116.42 118.87 3i6a h ASP 40 Ca -0.01 -0.26 -0.09 0.00 0.02 0.00 0.00 57.03 56.69 3i6a h ASP 40 Cb 1.14 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 3i6a h ASP 40 CO 0.09 0.83 -0.12 0.25 -1.72 0.00 0.00 179.24 178.57 3i6a h LEU 41 N 0.67 0.73 -0.96 1.55 5.85 -1.15 -2.50 115.31 119.50 3i6a h LEU 41 Ca 0.15 -0.38 0.10 0.00 0.84 0.00 0.00 57.88 58.59 3i6a h LEU 41 Cb 0.39 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 3i6a h LEU 41 CO 0.01 0.95 0.60 0.44 -0.34 0.00 0.00 178.44 180.09 3i6a h ASP 42 N 0.51 0.89 0.03 1.25 3.32 -0.75 -2.01 116.42 119.66 3i6a h ASP 42 Ca 0.09 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 3i6a h ASP 42 Cb 0.64 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3i6a h ASP 42 CO 0.04 0.50 -0.02 0.50 -1.72 0.00 0.00 179.24 178.54 3i6a h LYS 43 N 0.98 -0.04 -0.36 3.56 1.63 -0.93 0.02 116.57 121.42 3i6a h LYS 43 Ca 0.46 0.00 0.05 0.00 -0.85 0.00 0.00 60.65 60.32 3i6a h LYS 43 Cb 0.40 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.00 3i6a h LYS 43 CO -0.25 0.03 0.08 -0.07 -3.45 0.00 0.00 179.45 175.79 3i6a h LEU 44 N -0.11 0.04 0.44 5.20 3.38 -1.16 0.25 115.31 123.36 3i6a h LEU 44 Ca -0.00 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3i6a h LEU 44 Cb 0.09 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3i6a h LEU 44 CO 0.01 0.06 -0.36 0.03 0.09 0.00 0.00 178.44 178.26 3i6a h ARG 45 N 0.21 -0.78 -0.13 1.13 3.08 -1.26 -0.04 114.38 116.59 3i6a h ARG 45 Ca 0.17 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 3i6a h ARG 45 Cb 0.19 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3i6a h ARG 45 CO -0.21 -0.52 -0.02 -0.91 -1.07 0.00 0.00 179.97 177.24 3i6a h ASN 46 N -0.80 0.17 0.27 7.04 2.35 -0.83 0.72 115.58 124.49 3i6a h ASN 46 Ca -0.04 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3i6a h ASN 46 Cb 0.70 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3i6a h ASN 46 CO -0.02 0.23 0.00 0.47 -1.65 0.00 0.00 177.43 176.47 3i6a n ASP 47 N -4.40 0.00 -0.46 5.81 8.00 0.88 -4.87 116.55 121.52 3i6a n ASP 47 Ca -0.01 -0.36 -0.06 0.00 0.71 0.00 0.00 54.79 55.07 3i6a n ASP 47 Cb 0.17 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 0.70 0.84 0.01 0.44 0.00 0.24 -4.93 105.19 102.49 3i6a n GLY 48 Ca 0.15 -0.79 0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.83 0.00 -3.98 1.61 4.01 -0.06 -4.67 117.16 111.24 3i6a n TYR 49 Ca -0.06 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.37 3i6a n TYR 49 Cb 0.20 -0.40 -0.15 0.00 -0.31 0.00 0.00 39.34 38.68 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 -2.90 3.79 0.26 7.72 1.43 -1.26 -4.92 118.68 122.80 3i6a s LEU 50 Ca 0.16 -1.77 -0.02 0.00 -1.03 0.00 0.00 54.13 51.48 3i6a s LEU 50 Cb 0.19 -1.43 0.53 0.00 0.03 0.00 0.00 46.19 45.51 3i6a s LEU 50 CO 0.55 -0.32 1.71 -0.03 0.23 0.00 0.00 176.35 178.49 3i6a h MET 51 N 7.77 0.40 -0.29 1.70 1.85 -1.87 -0.43 114.93 124.05 3i6a h MET 51 Ca -0.11 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 58.96 3i6a h MET 51 Cb 1.03 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.97 3i6a h MET 51 CO 0.48 0.26 0.00 1.19 -0.40 0.00 0.00 176.91 178.45 3i6a n PHE 52 N -5.04 1.02 -1.41 1.39 3.72 -1.26 -4.95 117.46 110.93 3i6a n PHE 52 Ca 0.16 -0.85 -0.14 0.00 -0.05 0.00 0.00 57.45 56.58 3i6a n PHE 52 Cb 0.49 -0.32 -0.06 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.37 -1.23 -4.44 -1.08 1.13 -0.17 -5.00 117.38 106.23 3i6a n GLN 53 Ca 0.21 0.98 -0.25 0.00 -1.94 0.00 0.00 57.00 56.00 3i6a n GLN 53 Cb 0.90 -5.18 -0.11 0.00 0.11 0.00 0.00 30.24 25.96 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 -3.12 1.57 0.33 -1.09 -0.21 -1.26 -4.98 119.66 110.91 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 -1.75 -0.03 0.00 1.00 0.00 0.00 33.01 32.23 3i6a s GLN 54 CO 0.00 0.35 0.26 0.14 -2.12 0.00 0.00 175.29 173.92 3i6a s VAL 55 N -2.16 3.54 0.62 1.09 -7.23 -1.26 -4.66 120.40 110.34 3i6a s VAL 55 Ca 0.25 -1.42 -0.18 0.00 -1.81 0.00 0.00 61.98 58.82 3i6a s VAL 55 Cb -0.06 -3.17 -0.02 0.00 0.56 0.00 0.00 36.38 33.68 3i6a s VAL 55 CO 0.12 -0.19 1.24 -2.84 -0.31 0.00 0.00 175.10 173.12 3i6a s PRO 56 N -3.96 2.78 -0.00 4.82 0.02 -1.26 -4.98 135.00 132.42 3i6a s PRO 56 Ca 0.40 1.91 -0.01 0.00 0.02 0.00 0.00 61.00 63.31 3i6a s PRO 56 Cb -0.06 -1.89 -0.00 0.00 0.02 0.00 0.00 34.50 32.57 3i6a s PRO 56 CO 0.26 -1.38 0.02 1.41 -0.33 0.00 0.00 177.00 176.98 3i6a s MET 57 N -3.38 0.16 -0.07 5.54 1.75 -1.09 -3.88 119.30 118.33 3i6a s MET 57 Ca 0.79 -0.20 0.00 0.00 -1.25 0.00 0.00 55.69 55.03 3i6a s MET 57 Cb -0.33 0.06 0.02 0.00 2.84 0.00 0.00 34.83 37.43 3i6a s MET 57 CO 0.36 -0.03 -0.04 0.08 -0.65 0.00 0.00 175.02 174.74 3i6a s VAL 58 N -0.56 0.60 -0.42 10.11 1.01 0.95 -0.38 120.40 131.70 3i6a s VAL 58 Ca -0.06 -0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.58 3i6a s VAL 58 Cb -0.04 -0.66 0.02 0.00 0.00 0.00 0.00 36.38 35.70 3i6a s VAL 58 CO -0.00 0.27 0.89 -1.61 0.00 0.00 0.00 175.10 174.64 3i6a s GLU 59 N 1.39 3.64 -0.09 2.72 2.02 -0.24 -0.62 118.70 127.52 3i6a s GLU 59 Ca -0.03 0.27 -0.06 0.00 0.02 0.00 0.00 54.97 55.17 3i6a s GLU 59 Cb -0.13 -3.88 0.04 0.00 0.10 0.00 0.00 34.13 30.26 3i6a s GLU 59 CO -0.03 -1.08 0.22 -1.50 0.02 0.00 0.00 175.26 172.90 3i6a s ILE 60 N 3.53 -0.03 -1.57 -1.63 2.07 -0.26 -1.36 121.20 121.95 3i6a s ILE 60 Ca 0.36 0.10 -0.06 0.00 -1.41 0.00 0.00 60.65 59.63 3i6a s ILE 60 Cb -0.11 -0.34 0.06 0.00 0.13 0.00 0.00 42.46 42.20 3i6a s ILE 60 CO 0.22 0.04 0.36 0.47 -1.91 0.00 0.00 174.94 174.12 3i6a n ASP 61 N 3.78 -0.60 -0.06 4.50 8.00 -1.26 -1.16 116.55 129.75 3i6a n ASP 61 Ca -0.21 -1.14 -0.01 0.00 0.71 0.00 0.00 54.79 54.15 3i6a n ASP 61 Cb 0.55 -2.30 -0.00 0.00 -0.02 0.00 0.00 41.12 39.35 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 -1.98 0.48 3.32 0.44 0.00 -1.26 -5.02 105.19 101.17 3i6a n GLY 62 Ca -0.19 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.83 1.29 -0.86 1.61 -1.94 -0.31 -5.07 119.30 113.19 3i6a s MET 63 Ca 0.00 -1.21 -0.11 0.00 -1.71 0.00 0.00 55.69 52.66 3i6a s MET 63 Cb 0.00 -1.62 0.22 0.00 2.01 0.00 0.00 34.83 35.44 3i6a s MET 63 CO 0.00 0.39 0.80 0.15 -0.01 0.00 0.00 175.02 176.34 3i6a s LYS 64 N -1.86 3.57 -0.07 2.03 1.02 -1.26 -1.10 119.74 122.07 3i6a s LYS 64 Ca 0.10 -2.68 -0.26 0.00 0.02 0.00 0.00 55.97 53.14 3i6a s LYS 64 Cb -0.10 -4.33 -0.03 0.00 -0.52 0.00 0.00 37.83 32.85 3i6a s LYS 64 CO 0.05 -1.26 0.82 -0.51 -0.92 0.00 0.00 175.35 173.53 3i6a s LEU 65 N -0.27 4.30 0.46 3.17 1.43 0.21 -4.82 118.68 123.16 3i6a s LEU 65 Ca 0.21 1.34 0.05 0.00 -1.03 0.00 0.00 54.13 54.70 3i6a s LEU 65 Cb -0.11 -3.28 -0.03 0.00 0.03 0.00 0.00 46.19 42.80 3i6a s LEU 65 CO -0.08 -0.23 0.16 0.68 0.23 0.00 0.00 176.35 177.10 3i6a s VAL 66 N 1.19 1.85 0.02 -1.59 -7.23 -1.26 -0.04 120.40 113.35 3i6a s VAL 66 Ca 0.42 -1.77 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3i6a s VAL 66 Cb -0.18 -2.63 0.00 0.00 0.56 0.00 0.00 36.38 34.13 3i6a s VAL 66 CO 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.99 3i6a n GLN 67 N -1.31 -1.49 -0.28 4.82 1.13 -1.25 -4.50 117.38 114.50 3i6a n GLN 67 Ca -0.06 1.43 0.05 0.00 -1.94 0.00 0.00 57.00 56.48 3i6a n GLN 67 Cb 0.65 -1.53 0.14 0.00 0.11 0.00 0.00 30.24 29.62 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 1.20 0.24 -0.18 5.09 2.02 -1.91 0.66 112.91 120.02 3i6a h THR 68 Ca 0.00 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 3i6a h THR 68 Cb 0.00 0.20 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3i6a h THR 68 CO 0.00 0.01 -0.26 0.03 0.37 0.00 0.00 175.52 175.67 3i6a h ARG 69 N 0.04 0.34 -0.02 6.66 3.08 -1.98 0.20 114.38 122.70 3i6a h ARG 69 Ca 0.41 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 3i6a h ARG 69 Cb 0.70 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 3i6a h ARG 69 CO -0.77 0.58 -0.01 0.00 -1.07 0.00 0.00 179.97 178.70 3i6a h ALA 70 N 1.43 0.03 -0.05 0.04 0.00 -1.16 -0.39 119.26 119.17 3i6a h ALA 70 Ca 0.05 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.80 3i6a h ALA 70 Cb 0.62 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.36 3i6a h ALA 70 CO 0.04 -0.27 -0.27 0.82 0.00 0.00 0.00 179.25 179.58 3i6a h ILE 71 N -0.32 0.39 -0.64 0.00 2.04 -1.06 -1.50 117.51 116.42 3i6a h ILE 71 Ca 0.01 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 3i6a h ILE 71 Cb 0.39 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3i6a h ILE 71 CO 0.00 0.00 0.08 -0.07 0.00 0.00 0.00 178.15 178.16 3i6a h LEU 72 N -0.38 1.03 -0.63 1.44 3.38 -0.88 -1.91 115.31 117.35 3i6a h LEU 72 Ca 0.08 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3i6a h LEU 72 Cb 0.49 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3i6a h LEU 72 CO -0.26 1.03 -0.05 0.78 0.09 0.00 0.00 178.44 180.03 3i6a h ASN 73 N 0.99 1.01 -0.02 -0.43 2.35 -0.89 0.02 115.58 118.61 3i6a h ASN 73 Ca 0.19 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3i6a h ASN 73 Cb 0.47 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.56 3i6a h ASN 73 CO 0.02 1.09 0.01 0.22 -1.65 0.00 0.00 177.43 177.12 3i6a h TYR 74 N 0.93 0.03 -0.43 1.19 3.20 -1.02 -1.95 116.97 118.91 3i6a h TYR 74 Ca 0.16 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.97 3i6a h TYR 74 Cb 0.60 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 3i6a h TYR 74 CO 0.04 0.10 0.06 0.82 -1.64 0.00 0.00 178.16 177.55 3i6a h ILE 75 N -0.06 1.25 -0.26 1.81 2.04 -1.20 -1.00 117.51 120.08 3i6a h ILE 75 Ca 0.01 -0.91 0.03 0.00 1.00 0.00 0.00 64.86 64.99 3i6a h ILE 75 Cb 0.09 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3i6a h ILE 75 CO -0.00 0.31 0.09 0.00 0.00 0.00 0.00 178.15 178.56 3i6a h ALA 76 N 0.93 0.29 0.17 1.87 0.00 -0.97 -2.26 119.26 119.30 3i6a h ALA 76 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i6a h ALA 76 Cb 0.39 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3i6a h ALA 76 CO 0.01 -0.32 -0.18 1.03 0.00 0.00 0.00 179.25 179.80 3i6a h SER 77 N 0.21 -0.47 -0.75 0.00 0.87 -1.26 0.17 113.55 112.32 3i6a h SER 77 Ca 0.11 0.05 0.12 0.00 -1.23 0.00 0.00 61.79 60.84 3i6a h SER 77 Cb 0.08 0.16 -0.08 0.00 -0.44 0.00 0.00 62.40 62.12 3i6a h SER 77 CO -0.11 -0.27 0.35 0.50 -0.53 0.00 0.00 176.83 176.77 3i6a h LYS 78 N -0.38 0.53 -0.47 2.24 3.64 -0.96 -2.82 116.57 118.34 3i6a h LYS 78 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3i6a h LYS 78 Cb 0.36 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3i6a h LYS 78 CO -0.05 0.35 0.00 0.66 -2.27 0.00 0.00 179.45 178.14 3i6a n TYR 79 N -4.92 1.62 -2.50 1.91 4.01 -0.87 -4.95 117.16 111.47 3i6a n TYR 79 Ca 0.13 -0.76 -0.15 0.00 -0.16 0.00 0.00 57.90 56.96 3i6a n TYR 79 Cb 0.36 -0.41 0.01 0.00 -0.31 0.00 0.00 39.34 38.98 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 0.30 -4.61 -1.25 7.72 3.02 -0.82 -4.90 115.26 114.72 3i6a n ASN 80 Ca 0.25 -0.09 0.01 0.00 -0.03 0.00 0.00 54.58 54.71 3i6a n ASN 80 Cb 1.05 -3.63 0.25 0.00 -0.61 0.00 0.00 39.78 36.84 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 -2.45 4.52 -1.44 3.41 4.77 0.52 -4.54 117.00 121.79 3i6a n LEU 81 Ca -0.14 -3.31 -0.10 0.00 -0.03 0.00 0.00 56.01 52.43 3i6a n LEU 81 Cb 0.61 -0.63 0.10 0.00 -2.33 0.00 0.00 43.42 41.18 3i6a n LEU 81 CO 0.26 0.89 0.25 0.00 -1.33 0.00 0.00 177.39 177.46 3i6a n TYR 82 N -0.65 1.51 -0.76 -1.77 4.19 -1.20 -1.44 117.16 117.03 3i6a n TYR 82 Ca 0.30 -1.88 0.10 0.00 3.31 0.00 0.00 57.90 59.73 3i6a n TYR 82 Cb 1.07 -0.30 -0.03 0.00 0.49 0.00 0.00 39.34 40.57 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 -0.85 -1.89 0.00 2.98 0.00 -1.26 -4.51 105.19 99.66 3i6a n GLY 83 Ca 0.32 -1.32 0.09 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.01 0.68 -3.07 1.61 2.85 -1.26 -4.95 118.16 111.01 3i6a n LYS 84 Ca -0.01 -0.05 -0.08 0.00 -1.05 0.00 0.00 58.31 57.13 3i6a n LYS 84 Cb 0.35 -1.42 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 3i6a n LYS 84 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 3i6a n ASP 85 N -1.64 -1.28 0.11 -5.58 5.68 -1.26 -5.05 116.55 107.53 3i6a n ASP 85 Ca 0.02 -2.20 -0.02 0.00 -0.50 0.00 0.00 54.79 52.08 3i6a n ASP 85 Cb 0.35 2.22 0.21 0.00 -1.14 0.00 0.00 41.12 42.76 3i6a n ASP 85 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 3i6a h ILE 86 N 1.69 1.35 -0.08 2.12 2.10 -1.96 -2.05 117.51 120.69 3i6a h ILE 86 Ca -0.21 -1.71 -0.24 0.00 1.08 0.00 0.00 64.86 63.78 3i6a h ILE 86 Cb 0.84 1.84 0.01 0.00 -1.09 0.00 0.00 36.82 38.42 3i6a h ILE 86 CO 0.28 0.50 -0.89 0.11 -1.08 0.00 0.00 178.15 177.06 3i6a h LYS 87 N 0.14 0.70 -0.67 2.19 1.57 -1.99 -1.96 116.57 116.54 3i6a h LYS 87 Ca 0.01 -0.65 -0.02 0.00 -1.87 0.00 0.00 60.65 58.11 3i6a h LYS 87 Cb 0.92 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 3i6a h LYS 87 CO 0.07 1.25 0.34 0.93 -0.57 0.00 0.00 179.45 181.48 3i6a h GLU 88 N 0.44 0.96 -0.47 3.15 5.08 -1.93 -2.44 114.58 119.37 3i6a h GLU 88 Ca -0.08 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3i6a h GLU 88 Cb 1.53 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.58 3i6a h GLU 88 CO 0.18 0.74 0.31 0.00 -1.00 0.00 0.00 179.01 179.24 3i6a h ARG 89 N 0.93 0.62 -0.51 2.33 3.08 -1.28 0.14 114.38 119.69 3i6a h ARG 89 Ca 0.23 -0.04 -0.05 0.00 0.07 0.00 0.00 59.98 60.20 3i6a h ARG 89 Cb 0.09 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 3i6a h ARG 89 CO -0.03 0.42 0.14 0.00 -1.07 0.00 0.00 179.97 179.42 3i6a h ALA 90 N 1.70 0.67 -0.26 0.04 0.00 -1.12 0.29 119.26 120.58 3i6a h ALA 90 Ca 0.17 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3i6a h ALA 90 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3i6a h ALA 90 CO -0.04 0.35 -0.19 -0.07 0.00 0.00 0.00 179.25 179.31 3i6a h LEU 91 N 0.70 0.61 0.15 0.00 3.38 -0.92 -1.81 115.31 117.42 3i6a h LEU 91 Ca 0.16 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3i6a h LEU 91 Cb 0.31 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 3i6a h LEU 91 CO -0.00 0.92 -0.34 0.40 0.09 0.00 0.00 178.44 179.52 3i6a h ILE 92 N 0.30 0.29 -0.70 1.22 2.04 -0.64 -1.11 117.51 118.91 3i6a h ILE 92 Ca 0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.98 3i6a h ILE 92 Cb 0.73 0.29 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 3i6a h ILE 92 CO 0.05 0.00 0.37 0.44 0.00 0.00 0.00 178.15 179.01 3i6a h ASP 93 N -0.58 0.53 -0.53 1.72 3.32 -0.42 -0.44 116.42 120.02 3i6a h ASP 93 Ca 0.02 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3i6a h ASP 93 Cb 0.60 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3i6a h ASP 93 CO -0.18 0.32 0.16 -0.03 -1.72 0.00 0.00 179.24 177.79 3i6a h MET 94 N 0.66 0.84 0.00 3.56 4.05 -1.06 -0.48 114.93 122.51 3i6a h MET 94 Ca 0.33 -0.19 -0.00 0.00 -0.28 0.00 0.00 59.70 59.56 3i6a h MET 94 Cb 0.27 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.95 3i6a h MET 94 CO -0.22 0.78 -0.00 1.88 0.23 0.00 0.00 176.91 179.57 3i6a h TYR 95 N 0.74 -0.00 0.00 1.39 0.05 -0.79 -2.97 116.97 115.39 3i6a h TYR 95 Ca 0.17 -0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.91 3i6a h TYR 95 Cb 0.29 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.03 3i6a h TYR 95 CO 0.02 0.36 -0.22 -0.84 -1.05 0.00 0.00 178.16 176.43 3i6a h ILE 96 N -0.36 0.43 -0.03 -2.88 3.07 -0.96 -1.38 117.51 115.39 3i6a h ILE 96 Ca -0.00 -1.32 -0.13 0.00 1.55 0.00 0.00 64.86 64.96 3i6a h ILE 96 Cb 0.36 1.98 -0.02 0.00 -0.27 0.00 0.00 36.82 38.87 3i6a h ILE 96 CO 0.00 0.21 -0.58 -0.33 -1.05 0.00 0.00 178.15 176.40 3i6a h GLU 97 N 0.00 0.11 -0.56 0.16 4.39 -1.11 -0.02 114.58 117.55 3i6a h GLU 97 Ca -0.00 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 3i6a h GLU 97 Cb 0.96 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.60 3i6a h GLU 97 CO 0.03 0.66 0.06 0.78 -1.16 0.00 0.00 179.01 179.38 3i6a h GLY 98 N 1.61 1.01 0.84 -3.84 0.00 -1.09 -1.55 103.07 100.04 3i6a h GLY 98 Ca -0.00 -0.69 0.03 0.00 0.00 0.00 0.00 47.33 46.67 3i6a h GLY 98 CO 0.08 0.64 0.40 -2.22 0.00 0.00 0.00 176.54 175.45 3i6a h ILE 99 N 0.83 1.06 -0.41 2.60 2.04 -1.23 -2.50 117.51 119.90 3i6a h ILE 99 Ca 0.17 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3i6a h ILE 99 Cb 0.45 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3i6a h ILE 99 CO 0.02 0.14 0.15 0.00 0.00 0.00 0.00 178.15 178.46 3i6a h ALA 100 N 1.30 1.50 -0.05 1.87 0.00 -0.74 0.73 119.26 123.87 3i6a h ALA 100 Ca 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i6a h ALA 100 Cb 0.05 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3i6a h ALA 100 CO -0.12 0.38 0.01 -0.44 0.00 0.00 0.00 179.25 179.08 3i6a h ASP 101 N 0.58 0.07 -0.21 0.00 3.32 -0.86 -0.81 116.42 118.51 3i6a h ASP 101 Ca 0.14 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3i6a h ASP 101 Cb 0.14 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3i6a h ASP 101 CO -0.01 0.29 -0.04 0.25 -1.72 0.00 0.00 179.24 178.01 3i6a h LEU 102 N -0.15 0.39 -1.17 1.55 5.85 -1.20 -2.88 115.31 117.71 3i6a h LEU 102 Ca 0.01 -0.36 0.22 0.00 0.84 0.00 0.00 57.88 58.60 3i6a h LEU 102 Cb 0.25 -0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.07 3i6a h LEU 102 CO 0.00 0.66 0.62 1.23 -0.34 0.00 0.00 178.44 180.61 3i6a h GLY 103 N 0.12 1.53 0.92 3.75 0.00 0.52 -2.05 103.07 107.86 3i6a h GLY 103 Ca 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.05 3i6a h GLY 103 CO 0.02 -0.10 0.06 -2.09 0.00 0.00 0.00 176.54 174.42 3i6a h GLU 104 N 0.59 0.61 -0.45 4.80 4.57 -0.92 -0.50 114.58 123.27 3i6a h GLU 104 Ca 0.58 -0.16 0.02 0.00 -1.18 0.00 0.00 59.36 58.62 3i6a h GLU 104 Cb 1.15 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 3i6a h GLU 104 CO -0.35 0.68 0.26 0.52 -1.18 0.00 0.00 179.01 178.94 3i6a h MET 105 N 0.44 0.50 0.01 1.92 2.86 -1.29 -1.35 114.93 118.03 3i6a h MET 105 Ca 0.11 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.72 3i6a h MET 105 Cb 0.37 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3i6a h MET 105 CO 0.01 0.33 -0.00 0.82 1.06 0.00 0.00 176.91 179.13 3i6a h ILE 106 N 0.52 1.01 -0.75 -1.22 2.04 -1.31 -0.64 117.51 117.16 3i6a h ILE 106 Ca 0.18 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 66.02 3i6a h ILE 106 Cb 0.03 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 3i6a h ILE 106 CO -0.10 0.01 0.50 0.40 0.00 0.00 0.00 178.15 178.96 3i6a h ILE 107 N -0.03 1.15 0.00 -0.67 2.04 -0.94 -2.16 117.51 116.91 3i6a h ILE 107 Ca -0.00 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 65.53 3i6a h ILE 107 Cb 0.02 0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 3i6a h ILE 107 CO 0.00 0.18 -0.03 0.24 0.00 0.00 0.00 178.15 178.54 3i6a h MET 108 N 0.97 0.00 -0.43 2.37 2.86 -1.04 -3.38 114.93 116.28 3i6a h MET 108 Ca 0.29 0.00 0.08 0.00 -2.06 0.00 0.00 59.70 58.01 3i6a h MET 108 Cb -0.03 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.55 3i6a h MET 108 CO -0.07 0.00 -0.08 1.25 1.06 0.00 0.00 176.91 179.07 3i6a h LEU 109 N 0.00 -0.34 -2.85 1.22 5.85 -0.42 -1.29 115.31 117.48 3i6a h LEU 109 Ca 0.00 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.84 3i6a h LEU 109 Cb 0.99 0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 3i6a h LEU 109 CO 0.00 -0.12 0.00 -0.65 -0.34 0.00 0.00 178.44 177.33 3i6a h PRO 110 N 0.02 0.00 -0.02 5.25 0.11 -1.74 -1.86 132.00 133.77 3i6a h PRO 110 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 3i6a h PRO 110 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 3i6a h PRO 110 CO -0.42 0.00 -0.15 1.19 -0.21 0.00 0.00 178.00 178.41 3i6a n PHE 111 N -3.29 0.00 -2.10 0.65 3.01 -0.50 -4.93 117.46 110.31 3i6a n PHE 111 Ca -0.03 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.05 3i6a n PHE 111 Cb 0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 3i6a n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i6a n PRO 113 N -0.31 1.87 -0.33 0.00 -0.04 -1.26 -4.80 135.00 130.14 3i6a n PRO 113 Ca 0.06 0.67 0.24 0.00 -0.04 0.00 0.00 63.50 64.44 3i6a n PRO 113 Cb 0.46 -2.46 0.47 0.00 -0.04 0.00 0.00 33.50 31.92 3i6a n PRO 113 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3i6a h PRO 114 N 1.86 0.09 0.00 0.54 0.11 -1.97 -0.42 132.00 132.22 3i6a h PRO 114 Ca -0.49 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3i6a h PRO 114 Cb 1.30 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 3i6a h PRO 114 CO 0.59 0.06 -0.18 1.49 -0.21 0.00 0.00 178.00 179.75 3i6a h GLU 115 N 0.09 0.00 -0.01 1.05 4.22 -2.04 -3.07 114.58 114.83 3i6a h GLU 115 Ca 0.74 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.18 3i6a h GLU 115 Cb 1.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.03 3i6a h GLU 115 CO -0.76 0.18 -0.64 0.39 -2.18 0.00 0.00 179.01 176.00 3i6a n GLU 116 N -3.52 1.05 -0.25 1.92 1.02 -0.18 -4.60 120.64 116.08 3i6a n GLU 116 Ca -0.01 -0.53 -0.03 0.00 -0.02 0.00 0.00 57.16 56.57 3i6a n GLU 116 Cb 0.33 -1.41 0.08 0.00 -0.02 0.00 0.00 31.44 30.42 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 1.26 0.84 -0.64 3.49 1.57 -1.42 -1.26 116.57 120.41 3i6a h LYS 117 Ca 0.00 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 3i6a h LYS 117 Cb 0.59 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3i6a h LYS 117 CO 0.00 0.56 0.10 -0.44 -0.57 0.00 0.00 179.45 179.10 3i6a h ASP 118 N 0.87 1.01 -0.14 0.86 3.32 -1.81 0.15 116.42 120.67 3i6a h ASP 118 Ca 0.29 -0.26 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3i6a h ASP 118 Cb 0.03 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 3i6a h ASP 118 CO -0.11 1.01 -0.02 0.00 -1.72 0.00 0.00 179.24 178.41 3i6a h ALA 119 N 1.03 0.19 -0.25 3.45 0.00 -1.81 -0.65 119.26 121.22 3i6a h ALA 119 Ca 0.19 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3i6a h ALA 119 Cb 0.43 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 3i6a h ALA 119 CO 0.01 -0.08 -0.08 -0.22 0.00 0.00 0.00 179.25 178.88 3i6a h LYS 120 N -0.02 -0.02 -0.56 0.00 1.63 -1.06 -1.78 116.57 114.75 3i6a h LYS 120 Ca 0.04 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 3i6a h LYS 120 Cb 0.41 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.02 3i6a h LYS 120 CO 0.01 -0.01 0.36 1.25 -3.45 0.00 0.00 179.45 177.61 3i6a h LEU 121 N -0.02 0.66 -0.82 5.20 5.85 -0.60 -1.61 115.31 123.96 3i6a h LEU 121 Ca 0.12 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 3i6a h LEU 121 Cb 0.21 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 3i6a h LEU 121 CO -0.27 0.49 0.26 0.00 -0.34 0.00 0.00 178.44 178.57 3i6a h ALA 122 N 1.20 1.05 -0.26 1.25 0.00 -0.93 -1.51 119.26 120.05 3i6a h ALA 122 Ca 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i6a h ALA 122 Cb -0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 3i6a h ALA 122 CO -0.04 0.65 0.17 1.25 0.00 0.00 0.00 179.25 181.28 3i6a h LEU 123 N 1.10 0.29 -0.28 0.00 5.85 -0.97 -0.15 115.31 121.15 3i6a h LEU 123 Ca 0.24 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.01 3i6a h LEU 123 Cb 0.27 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 3i6a h LEU 123 CO -0.01 0.21 -0.04 0.40 -0.34 0.00 0.00 178.44 178.66 3i6a h ILE 124 N 0.35 0.75 -0.58 4.05 2.04 -1.09 -0.56 117.51 122.48 3i6a h ILE 124 Ca 0.10 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.89 3i6a h ILE 124 Cb -0.04 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3i6a h ILE 124 CO -0.02 0.01 0.13 0.11 0.00 0.00 0.00 178.15 178.37 3i6a h LYS 125 N 0.03 0.90 -0.25 2.37 1.57 -1.13 0.95 116.57 121.01 3i6a h LYS 125 Ca 0.13 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3i6a h LYS 125 Cb 0.19 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3i6a h LYS 125 CO -0.26 0.81 0.07 1.49 -0.57 0.00 0.00 179.45 180.99 3i6a h GLU 126 N 0.86 0.38 -0.52 3.15 4.22 -0.76 -2.40 114.58 119.51 3i6a h GLU 126 Ca 0.19 -0.08 -0.11 0.00 0.08 0.00 0.00 59.36 59.43 3i6a h GLU 126 Cb 0.32 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 3i6a h GLU 126 CO 0.00 0.46 -0.12 0.87 -2.18 0.00 0.00 179.01 178.05 3i6a h LYS 127 N 0.23 0.99 -0.12 1.92 1.79 -0.63 -0.70 116.57 120.05 3i6a h LYS 127 Ca 0.08 -0.37 0.05 0.00 -2.18 0.00 0.00 60.65 58.23 3i6a h LYS 127 Cb 0.24 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.77 3i6a h LYS 127 CO -0.00 1.04 -0.27 0.82 -1.08 0.00 0.00 179.45 179.96 3i6a h ILE 128 N 0.88 0.37 -0.26 1.86 2.04 -0.83 -0.01 117.51 121.57 3i6a h ILE 128 Ca 0.14 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.82 3i6a h ILE 128 Cb 0.67 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 3i6a h ILE 128 CO 0.05 0.00 -0.53 0.50 0.00 0.00 0.00 178.15 178.17 3i6a h LYS 129 N -0.35 0.82 0.00 2.37 3.64 -1.24 -1.17 116.57 120.65 3i6a h LYS 129 Ca 0.10 -0.54 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 3i6a h LYS 129 Cb 0.49 0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3i6a h LYS 129 CO -0.31 1.16 -2.00 0.09 -2.27 0.00 0.00 179.45 176.13 3i6a n ASN 130 N -4.06 0.08 0.04 4.20 3.02 -0.29 -4.37 115.26 113.89 3i6a n ASN 130 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 3i6a n ASN 130 Cb 0.62 1.96 0.00 0.00 -0.61 0.00 0.00 39.78 41.74 3i6a n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3i6a n ARG 131 N -2.26 0.00 -0.08 3.52 0.63 -0.16 -4.78 116.66 113.53 3i6a n ARG 131 Ca -0.05 0.00 -0.15 0.00 -0.92 0.00 0.00 57.85 56.74 3i6a n ARG 131 Cb 0.58 -0.43 -0.11 0.00 0.45 0.00 0.00 32.46 32.95 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 0.00 0.00 -0.74 -0.14 0.05 -1.25 -2.42 116.97 112.48 3i6a h TYR 132 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 3i6a h TYR 132 Cb 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.69 3i6a h TYR 132 CO 0.00 1.01 0.46 0.74 -1.05 0.00 0.00 178.16 179.32 3i6a h PHE 133 N -1.00 0.85 -0.79 4.88 -1.00 -1.42 -1.96 116.94 116.49 3i6a h PHE 133 Ca -0.11 0.02 0.06 0.00 2.81 0.00 0.00 57.97 60.75 3i6a h PHE 133 Cb 0.98 -0.28 -0.06 0.00 3.61 0.00 0.00 35.95 40.20 3i6a h PHE 133 CO 0.17 0.47 0.48 -1.35 -1.61 0.00 0.00 178.31 176.47 3i6a h PRO 134 N 0.88 0.86 -0.59 1.51 0.11 -1.76 -0.25 132.00 132.75 3i6a h PRO 134 Ca 0.30 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.38 3i6a h PRO 134 Cb 0.06 -0.19 -0.04 0.00 0.11 0.00 0.00 31.00 30.94 3i6a h PRO 134 CO -0.13 0.57 0.37 0.00 -0.21 0.00 0.00 178.00 178.60 3i6a h ALA 135 N 1.38 0.76 0.08 -0.75 0.00 -0.89 0.10 119.26 119.94 3i6a h ALA 135 Ca 0.35 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.97 3i6a h ALA 135 Cb 0.16 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3i6a h ALA 135 CO -0.17 0.11 -1.24 0.74 0.00 0.00 0.00 179.25 178.69 3i6a h PHE 136 N 0.73 0.30 -0.58 0.00 0.04 -1.11 -2.75 116.94 113.57 3i6a h PHE 136 Ca 0.23 -0.22 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 3i6a h PHE 136 Cb -0.00 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 3i6a h PHE 136 CO -0.05 1.19 0.20 1.49 -0.60 0.00 0.00 178.31 180.54 3i6a h GLU 137 N 0.04 0.88 -0.72 1.51 4.57 -0.88 -2.48 114.58 117.51 3i6a h GLU 137 Ca -0.12 -0.18 0.03 0.00 -1.18 0.00 0.00 59.36 57.91 3i6a h GLU 137 Cb 1.92 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 30.33 3i6a h GLU 137 CO 0.17 0.78 0.45 -0.22 -1.18 0.00 0.00 179.01 179.01 3i6a h LYS 138 N 0.81 0.86 -0.18 1.92 3.64 -0.82 -0.58 116.57 122.22 3i6a h LYS 138 Ca 0.19 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.54 3i6a h LYS 138 Cb 0.25 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 3i6a h LYS 138 CO -0.01 0.57 0.04 0.28 -2.27 0.00 0.00 179.45 178.06 3i6a h VAL 139 N 0.88 0.92 -0.51 2.00 2.07 -1.28 -0.50 116.25 119.84 3i6a h VAL 139 Ca 0.29 -0.04 -0.09 0.00 0.82 0.00 0.00 66.70 67.68 3i6a h VAL 139 Cb 0.02 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3i6a h VAL 139 CO -0.11 0.02 -0.05 -0.07 0.02 0.00 0.00 177.57 177.38 3i6a h LEU 140 N 0.11 0.92 -0.73 2.57 3.38 -1.20 -2.77 115.31 117.60 3i6a h LEU 140 Ca 0.08 -0.33 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 3i6a h LEU 140 Cb 0.07 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 3i6a h LEU 140 CO -0.11 1.03 0.02 0.50 0.09 0.00 0.00 178.44 179.98 3i6a h LYS 141 N 0.79 1.00 -0.59 1.13 3.64 -1.01 -0.35 116.57 121.18 3i6a h LYS 141 Ca 0.14 -0.29 -0.09 0.00 -1.27 0.00 0.00 60.65 59.14 3i6a h LYS 141 Cb 0.59 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 3i6a h LYS 141 CO 0.04 0.97 0.01 0.66 -2.27 0.00 0.00 179.45 178.86 3i6a h SER 142 N 0.92 1.00 0.24 4.20 4.64 -0.81 -3.08 113.55 120.66 3i6a h SER 142 Ca 0.17 -0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3i6a h SER 142 Cb 0.50 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3i6a h SER 142 CO 0.02 1.04 -1.27 0.00 -0.87 0.00 0.00 176.83 175.75 3i6a n HIS 143 N -4.19 0.16 -1.02 4.77 1.44 -1.11 -4.98 115.22 110.29 3i6a n HIS 143 Ca 0.03 0.05 -0.01 0.00 -2.01 0.00 0.00 57.72 55.78 3i6a n HIS 143 Cb 0.33 -0.37 -0.00 0.00 0.12 0.00 0.00 29.99 30.07 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 1.37 0.29 3.93 -1.39 0.00 -0.14 -5.00 105.19 104.24 3i6a n GLY 144 Ca 0.01 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.17 3.45 0.00 1.61 -0.21 -1.25 -5.00 119.66 117.09 3i6a s GLN 145 Ca 0.00 -0.22 0.31 0.00 0.02 0.00 0.00 55.36 55.47 3i6a s GLN 145 Cb 0.00 -2.58 1.61 0.00 1.00 0.00 0.00 33.01 33.04 3i6a s GLN 145 CO 0.00 0.01 2.06 -0.25 -2.12 0.00 0.00 175.29 174.99 3i6a n ASP 146 N -1.94 0.49 -4.18 5.90 8.00 -1.26 -4.82 116.55 118.74 3i6a n ASP 146 Ca -0.03 -1.14 -0.12 0.00 0.71 0.00 0.00 54.79 54.22 3i6a n ASP 146 Cb 0.56 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.55 3i6a n ASP 146 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i6a s TYR 147 N -2.02 0.97 0.12 1.24 2.02 -1.26 -4.92 117.35 113.49 3i6a s TYR 147 Ca 0.44 -0.83 -0.14 0.00 -0.37 0.00 0.00 57.07 56.17 3i6a s TYR 147 Cb 0.22 -0.54 -0.05 0.00 -0.40 0.00 0.00 41.96 41.18 3i6a s TYR 147 CO 0.36 -0.08 1.48 -0.07 -1.57 0.00 0.00 175.55 175.67 3i6a h LEU 148 N 3.09 0.78 -7.79 -1.29 3.38 -1.88 -3.43 115.31 108.18 3i6a h LEU 148 Ca -0.36 -0.42 -0.36 0.00 0.09 0.00 0.00 57.88 56.83 3i6a h LEU 148 Cb 1.17 -0.22 -0.32 0.00 0.09 0.00 0.00 40.66 41.39 3i6a h LEU 148 CO 0.62 1.03 -0.76 -0.69 0.09 0.00 0.00 178.44 178.73 3i6a s VAL 149 N -4.58 0.41 -0.08 1.22 1.01 -1.26 -4.90 120.40 112.23 3i6a s VAL 149 Ca -0.12 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3i6a s VAL 149 Cb 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 36.06 3i6a s VAL 149 CO 0.83 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.70 3i6a n GLY 150 N 3.60 0.48 2.71 4.51 0.00 -1.26 -3.24 105.19 112.00 3i6a n GLY 150 Ca -0.21 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.25 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 0.63 -4.27 -3.52 1.61 5.15 -1.26 -4.96 115.26 108.64 3i6a n ASN 151 Ca -0.01 -0.01 -0.10 0.00 -0.60 0.00 0.00 54.58 53.86 3i6a n ASN 151 Cb 0.05 -3.57 -0.02 0.00 -0.53 0.00 0.00 39.78 35.71 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 -5.33 1.24 -0.04 1.20 -2.85 -1.20 -4.88 119.74 107.88 3i6a s LYS 152 Ca 0.13 -0.52 -0.37 0.00 -1.00 0.00 0.00 55.97 54.21 3i6a s LYS 152 Cb -0.06 0.53 -0.16 0.00 -2.06 0.00 0.00 37.83 36.08 3i6a s LYS 152 CO 0.15 -0.55 1.54 -0.11 0.10 0.00 0.00 175.35 176.48 3i6a n LEU 153 N -0.37 2.19 -4.37 2.77 7.94 -1.26 -4.59 117.00 119.31 3i6a n LEU 153 Ca -0.13 1.09 -0.21 0.00 -1.11 0.00 0.00 56.01 55.66 3i6a n LEU 153 Cb 0.63 -1.22 -0.09 0.00 0.53 0.00 0.00 43.42 43.28 3i6a n LEU 153 CO 0.12 -0.69 -0.18 -0.94 -1.11 0.00 0.00 177.39 174.60 3i6a s SER 154 N 1.79 1.89 0.53 1.96 1.04 -1.26 -4.88 113.70 114.78 3i6a s SER 154 Ca 0.89 -1.63 0.27 0.00 0.48 0.00 0.00 55.95 55.96 3i6a s SER 154 Cb -0.94 0.45 1.43 0.00 0.10 0.00 0.00 66.02 67.06 3i6a s SER 154 CO 0.52 -0.94 1.96 0.08 0.98 0.00 0.00 173.24 175.85 3i6a h ARG 155 N 2.09 0.00 -0.68 4.02 0.11 -1.63 -2.21 114.38 116.08 3i6a h ARG 155 Ca -0.32 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.73 3i6a h ARG 155 Cb 1.25 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.30 3i6a h ARG 155 CO 0.50 0.00 0.31 0.00 0.10 0.00 0.00 179.97 180.88 3i6a h ALA 156 N 1.67 1.26 -0.41 0.08 0.00 -1.91 0.15 119.26 120.11 3i6a h ALA 156 Ca 0.30 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3i6a h ALA 156 Cb 1.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3i6a h ALA 156 CO -0.00 0.56 -0.07 -0.44 0.00 0.00 0.00 179.25 179.30 3i6a h ASP 157 N 0.97 0.77 0.04 0.00 3.32 -1.80 -1.44 116.42 118.29 3i6a h ASP 157 Ca 0.24 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 3i6a h ASP 157 Cb 0.13 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3i6a h ASP 157 CO -0.03 0.94 -0.02 0.40 -1.72 0.00 0.00 179.24 178.81 3i6a h ILE 158 N 0.59 1.18 -0.31 0.35 1.08 -1.25 -1.20 117.51 117.96 3i6a h ILE 158 Ca 0.11 -0.73 -0.03 0.00 -0.39 0.00 0.00 64.86 63.81 3i6a h ILE 158 Cb 0.59 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 3i6a h ILE 158 CO 0.04 0.18 0.06 0.45 -0.69 0.00 0.00 178.15 178.19 3i6a h HIS 159 N -0.38 0.45 -0.05 1.37 3.86 -0.72 -1.13 115.15 118.55 3i6a h HIS 159 Ca -0.01 -0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 58.98 3i6a h HIS 159 Cb 0.35 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 28.69 3i6a h HIS 159 CO 0.03 0.41 -0.73 1.25 0.86 0.00 0.00 177.93 179.75 3i6a h LEU 160 N 0.44 0.74 -0.69 2.43 5.85 -1.21 -2.60 115.31 120.27 3i6a h LEU 160 Ca 0.10 -0.70 -0.14 0.00 0.84 0.00 0.00 57.88 57.98 3i6a h LEU 160 Cb 0.20 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3i6a h LEU 160 CO -0.00 1.33 -0.61 0.58 -0.34 0.00 0.00 178.44 179.41 3i6a h VAL 161 N 0.20 1.40 -0.18 1.05 2.07 -1.03 0.74 116.25 120.51 3i6a h VAL 161 Ca -0.08 -2.01 0.04 0.00 0.82 0.00 0.00 66.70 65.48 3i6a h VAL 161 Cb 1.40 2.03 -0.05 0.00 -1.52 0.00 0.00 31.29 33.16 3i6a h VAL 161 CO 0.15 0.59 -0.11 -0.08 0.02 0.00 0.00 177.57 178.14 3i6a h GLU 162 N 0.13 -0.09 -0.86 1.57 4.81 -1.22 -1.93 114.58 116.99 3i6a h GLU 162 Ca -0.01 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 3i6a h GLU 162 Cb 1.10 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.45 3i6a h GLU 162 CO 0.09 -0.06 0.56 1.25 -0.73 0.00 0.00 179.01 180.12 3i6a h LEU 163 N -0.10 0.87 -1.08 1.64 5.85 -0.88 -1.91 115.31 119.70 3i6a h LEU 163 Ca 0.10 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3i6a h LEU 163 Cb 0.25 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3i6a h LEU 163 CO -0.24 0.58 0.01 -0.07 -0.34 0.00 0.00 178.44 178.38 3i6a h LEU 164 N 1.00 0.62 -0.69 2.25 3.38 -0.20 -0.57 115.31 121.11 3i6a h LEU 164 Ca 0.36 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3i6a h LEU 164 Cb 0.14 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3i6a h LEU 164 CO -0.12 0.69 0.38 1.88 0.09 0.00 0.00 178.44 181.36 3i6a h TYR 165 N 0.63 0.93 -0.29 1.13 0.05 -0.63 -0.50 116.97 118.29 3i6a h TYR 165 Ca 0.13 -0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.75 3i6a h TYR 165 Cb 0.37 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 3i6a h TYR 165 CO 0.02 0.66 -0.40 1.88 -1.05 0.00 0.00 178.16 179.26 3i6a h TYR 166 N 0.94 0.82 -0.72 4.88 0.05 -1.12 -2.63 116.97 119.20 3i6a h TYR 166 Ca 0.24 -0.24 -0.05 0.00 0.05 0.00 0.00 58.73 58.73 3i6a h TYR 166 Cb 0.03 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 3i6a h TYR 166 CO -0.01 0.98 0.27 0.28 -1.05 0.00 0.00 178.16 178.63 3i6a h VAL 167 N 0.57 1.25 -0.46 -2.88 2.07 -0.94 -1.42 116.25 114.44 3i6a h VAL 167 Ca 0.05 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 66.82 3i6a h VAL 167 Cb 0.94 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 3i6a h VAL 167 CO 0.08 0.33 0.11 -0.08 0.02 0.00 0.00 177.57 178.03 3i6a h GLU 168 N 1.06 0.24 -0.23 1.57 4.81 -1.01 0.15 114.58 121.18 3i6a h GLU 168 Ca 0.24 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 3i6a h GLU 168 Cb 0.24 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3i6a h GLU 168 CO -0.02 0.16 0.00 0.93 -0.73 0.00 0.00 179.01 179.35 3i6a h GLU 169 N 0.25 0.33 0.00 1.92 5.08 -1.07 -3.15 114.58 117.94 3i6a h GLU 169 Ca 0.23 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 3i6a h GLU 169 Cb 0.28 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3i6a h GLU 169 CO -0.28 0.36 -0.00 1.25 -1.00 0.00 0.00 179.01 179.34 3i6a h LEU 170 N 0.33 -0.00 -6.04 1.33 6.46 -0.31 -3.46 115.31 113.61 3i6a h LEU 170 Ca 0.08 -0.72 0.17 0.00 -0.12 0.00 0.00 57.88 57.29 3i6a h LEU 170 Cb 0.22 0.00 -0.21 0.00 -0.73 0.00 0.00 40.66 39.94 3i6a h LEU 170 CO 0.00 0.72 -0.02 -0.62 -0.62 0.00 0.00 178.44 177.90 3i6a s ASP 171 N -5.93 -0.84 0.00 1.25 -1.08 0.45 -5.04 116.67 105.49 3i6a s ASP 171 Ca -0.17 0.57 0.20 0.00 -0.52 0.00 0.00 52.55 52.62 3i6a s ASP 171 Cb -0.00 1.72 0.97 0.00 -1.46 0.00 0.00 42.92 44.15 3i6a s ASP 171 CO 0.68 -0.16 1.64 -1.54 0.52 0.00 0.00 175.17 176.31 3i6a n SER 172 N 5.43 0.00 0.12 -0.34 3.41 -1.21 -2.41 113.62 118.62 3i6a n SER 172 Ca -0.05 0.14 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 3i6a n SER 172 Cb 0.53 -0.34 0.13 0.00 -0.26 0.00 0.00 64.21 64.26 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 -0.27 4.04 4.64 -1.91 -3.39 113.55 116.66 3i6a h SER 173 Ca 0.00 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 3i6a h SER 173 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3i6a h SER 173 CO 0.00 0.03 0.11 -0.07 -0.87 0.00 0.00 176.83 176.03 3i6a h LEU 174 N 0.00 0.41 -0.01 5.97 3.38 -1.82 -0.17 115.31 123.08 3i6a h LEU 174 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i6a h LEU 174 Cb 0.90 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3i6a h LEU 174 CO 0.00 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.92 3i6a n ILE 175 N -4.39 0.24 -0.07 1.22 3.06 -1.26 -4.38 119.36 113.78 3i6a n ILE 175 Ca 0.02 -0.07 0.10 0.00 -2.50 0.00 0.00 62.75 60.30 3i6a n ILE 175 Cb 0.15 -0.56 0.49 0.00 0.54 0.00 0.00 39.64 40.26 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 0.38 -0.09 9.51 4.64 -1.25 -0.67 113.55 126.07 3i6a h SER 176 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i6a h SER 176 Cb 0.56 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3i6a h SER 176 CO 0.00 0.24 0.00 -1.20 -0.87 0.00 0.00 176.83 175.00 3i6a n SER 177 N -4.47 0.57 -3.72 4.97 7.64 -1.26 -4.62 113.62 112.73 3i6a n SER 177 Ca 0.08 -1.77 -0.28 0.00 1.01 0.00 0.00 58.87 57.91 3i6a n SER 177 Cb 0.31 -0.06 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 3i6a n SER 177 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i6a s PHE 178 N -1.89 2.59 0.33 1.43 0.08 -0.26 -4.97 117.98 115.30 3i6a s PHE 178 Ca 0.18 -2.91 0.09 0.00 0.12 0.00 0.00 56.93 54.41 3i6a s PHE 178 Cb 0.09 -2.06 0.59 0.00 -0.57 0.00 0.00 43.02 41.07 3i6a s PHE 178 CO 0.13 -0.67 1.78 -1.00 -0.10 0.00 0.00 175.22 175.36 3i6a h PRO 179 N 5.68 0.19 -0.29 0.24 0.13 -1.82 -2.20 132.00 133.93 3i6a h PRO 179 Ca 0.15 -0.07 -0.13 0.00 -0.87 0.00 0.00 66.00 65.08 3i6a h PRO 179 Cb 0.83 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 3i6a h PRO 179 CO 0.58 0.51 -0.35 -0.07 -0.23 0.00 0.00 178.00 178.43 3i6a h LEU 180 N 0.16 0.69 -0.20 1.56 3.38 -1.94 -1.06 115.31 117.90 3i6a h LEU 180 Ca 0.02 -0.29 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 3i6a h LEU 180 Cb 0.68 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3i6a h LEU 180 CO 0.05 0.98 -0.05 -0.07 0.09 0.00 0.00 178.44 179.44 3i6a h LEU 181 N 0.55 0.39 -0.70 1.67 3.38 -1.87 -1.53 115.31 117.19 3i6a h LEU 181 Ca 0.06 -0.37 0.07 0.00 0.09 0.00 0.00 57.88 57.73 3i6a h LEU 181 Cb 0.87 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 3i6a h LEU 181 CO 0.07 0.67 0.38 0.11 0.09 0.00 0.00 178.44 179.77 3i6a h LYS 182 N 0.10 0.66 -0.23 1.13 1.57 -1.26 -0.69 116.57 117.84 3i6a h LYS 182 Ca 0.05 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 3i6a h LYS 182 Cb 0.50 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3i6a h LYS 182 CO 0.02 0.43 -0.19 0.00 -0.57 0.00 0.00 179.45 179.15 3i6a h ALA 183 N 1.39 1.26 -0.38 3.86 0.00 -1.12 -2.29 119.26 121.97 3i6a h ALA 183 Ca 0.33 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3i6a h ALA 183 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3i6a h ALA 183 CO -0.22 0.49 -0.34 1.25 0.00 0.00 0.00 179.25 180.43 3i6a h LEU 184 N 0.37 0.96 -0.02 0.00 5.85 -0.50 -0.43 115.31 121.54 3i6a h LEU 184 Ca 0.06 -0.46 0.03 0.00 0.84 0.00 0.00 57.88 58.35 3i6a h LEU 184 Cb 0.54 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3i6a h LEU 184 CO 0.04 1.22 -0.17 0.50 -0.34 0.00 0.00 178.44 179.69 3i6a h LYS 185 N 0.72 -0.26 -0.30 1.25 3.64 -1.03 -0.68 116.57 119.91 3i6a h LYS 185 Ca 0.06 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3i6a h LYS 185 Cb 0.93 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.75 3i6a h LYS 185 CO 0.09 -0.17 -0.09 1.15 -2.27 0.00 0.00 179.45 178.16 3i6a h THR 186 N -0.27 0.68 -0.33 1.00 2.02 -1.33 -1.32 112.91 113.37 3i6a h THR 186 Ca 0.06 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.16 3i6a h THR 186 Cb 0.35 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3i6a h THR 186 CO -0.17 0.00 -0.09 -0.09 0.37 0.00 0.00 175.52 175.54 3i6a h ARG 187 N -0.02 0.64 -0.30 6.66 2.43 -0.72 -2.21 114.38 120.87 3i6a h ARG 187 Ca 0.15 -0.25 -0.14 0.00 -0.81 0.00 0.00 59.98 58.93 3i6a h ARG 187 Cb 0.24 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 3i6a h ARG 187 CO -0.32 0.82 -0.37 0.82 -1.51 0.00 0.00 179.97 179.41 3i6a h ILE 188 N 0.41 1.29 0.00 1.20 1.08 -1.09 -3.13 117.51 117.28 3i6a h ILE 188 Ca 0.08 -1.53 -0.03 0.00 -0.39 0.00 0.00 64.86 62.99 3i6a h ILE 188 Cb 0.59 1.46 -0.00 0.00 -3.07 0.00 0.00 36.82 35.80 3i6a h ILE 188 CO 0.03 0.49 -0.12 0.28 -0.69 0.00 0.00 178.15 178.15 3i6a h SER 189 N 0.57 0.00 0.55 1.72 0.02 -1.03 -1.56 113.55 113.81 3i6a h SER 189 Ca 0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3i6a h SER 189 Cb 0.90 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.44 3i6a h SER 189 CO 0.08 0.12 -0.17 0.59 -1.14 0.00 0.00 176.83 176.31 3i6a n ASN 190 N -3.75 0.37 -4.74 3.07 3.02 -0.85 -2.97 115.26 109.41 3i6a n ASN 190 Ca -0.02 -0.25 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 3i6a n ASN 190 Cb 0.23 -0.11 -0.02 0.00 -0.61 0.00 0.00 39.78 39.27 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 -2.71 4.38 0.29 3.41 1.43 -0.59 -4.77 118.68 120.12 3i6a s LEU 191 Ca 0.21 2.63 0.04 0.00 -1.03 0.00 0.00 54.13 55.99 3i6a s LEU 191 Cb 0.19 -3.62 0.72 0.00 0.03 0.00 0.00 46.19 43.52 3i6a s LEU 191 CO 0.54 -0.71 1.71 -0.65 0.23 0.00 0.00 176.35 177.46 3i6a h PRO 192 N 5.43 0.46 -0.45 1.29 0.11 -1.89 -0.10 132.00 136.85 3i6a h PRO 192 Ca -0.45 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.51 3i6a h PRO 192 Cb 1.21 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3i6a h PRO 192 CO 0.80 0.30 -0.18 1.79 -0.21 0.00 0.00 178.00 180.51 3i6a h THR 193 N 0.47 1.27 0.06 -1.15 1.35 -1.87 -2.36 112.91 110.68 3i6a h THR 193 Ca 0.56 -1.31 -0.27 0.00 -0.55 0.00 0.00 66.41 64.83 3i6a h THR 193 Cb 1.02 1.11 0.02 0.00 -1.73 0.00 0.00 68.15 68.56 3i6a h THR 193 CO -0.49 0.45 -1.13 0.58 -0.25 0.00 0.00 175.52 174.68 3i6a h VAL 194 N 0.78 1.32 -0.21 6.82 2.07 -1.48 -2.55 116.25 122.99 3i6a h VAL 194 Ca 0.11 -2.44 0.04 0.00 0.82 0.00 0.00 66.70 65.23 3i6a h VAL 194 Cb 0.72 2.56 -0.04 0.00 -1.52 0.00 0.00 31.29 33.02 3i6a h VAL 194 CO 0.06 0.74 -0.02 0.50 0.02 0.00 0.00 177.57 178.86 3i6a h LYS 195 N 0.29 0.04 -0.01 1.57 3.64 -0.96 -0.08 116.57 121.06 3i6a h LYS 195 Ca -0.15 -0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.26 3i6a h LYS 195 Cb 1.79 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.55 3i6a h LYS 195 CO 0.21 0.03 -0.37 -0.22 -2.27 0.00 0.00 179.45 176.83 3i6a h LYS 196 N 0.04 -0.50 -0.36 1.90 3.64 -1.45 -1.88 116.57 117.96 3i6a h LYS 196 Ca 0.10 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.62 3i6a h LYS 196 Cb 0.14 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 3i6a h LYS 196 CO -0.19 -0.33 0.30 0.35 -2.27 0.00 0.00 179.45 177.31 3i6a h PHE 197 N -0.52 0.00 0.00 1.91 3.57 -1.23 0.63 116.94 121.29 3i6a h PHE 197 Ca 0.06 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.56 3i6a h PHE 197 Cb 0.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.35 3i6a h PHE 197 CO -0.39 0.00 -0.06 1.28 -2.23 0.00 0.00 178.31 176.92 3i6a n LEU 198 N -4.13 0.09 -4.87 0.59 4.77 -0.06 -4.58 117.00 108.80 3i6a n LEU 198 Ca 0.06 0.45 -0.30 0.00 -0.03 0.00 0.00 56.01 56.18 3i6a n LEU 198 Cb 0.48 -0.47 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3i6a n LEU 198 CO 0.33 0.01 0.59 -1.10 -1.33 0.00 0.00 177.39 175.88 3i6a s GLN 199 N -3.00 3.72 0.67 3.23 -0.21 0.21 -5.00 119.66 119.28 3i6a s GLN 199 Ca 0.14 0.63 -0.17 0.00 0.02 0.00 0.00 55.36 55.97 3i6a s GLN 199 Cb 0.19 -2.23 0.00 0.00 1.00 0.00 0.00 33.01 31.97 3i6a s GLN 199 CO 0.55 -0.29 1.27 -1.25 -2.12 0.00 0.00 175.29 173.45 3i6a s PRO 200 N -4.49 2.42 0.00 2.91 0.04 -1.26 -3.07 135.00 131.55 3i6a s PRO 200 Ca 0.54 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.57 3i6a s PRO 200 Cb -0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3i6a s PRO 200 CO 0.41 -1.68 0.00 0.41 0.04 0.00 0.00 177.00 176.18 3i6a n GLY 201 N 0.80 0.90 3.92 0.56 0.00 -1.26 -5.06 105.19 105.06 3i6a n GLY 201 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.01 4.42 0.00 1.61 1.04 -1.18 -4.95 113.70 111.64 3i6a s SER 202 Ca 0.00 0.49 0.22 0.00 0.48 0.00 0.00 55.95 57.14 3i6a s SER 202 Cb 0.00 -0.98 1.30 0.00 0.10 0.00 0.00 66.02 66.44 3i6a s SER 202 CO 0.00 -1.89 1.71 -2.65 0.98 0.00 0.00 173.24 171.38 3i6a n PRO 203 N -3.18 0.76 -1.67 4.02 -0.02 -1.26 -4.82 135.00 128.82 3i6a n PRO 203 Ca 0.09 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 61.13 3i6a n PRO 203 Cb 0.60 -1.45 -0.02 0.00 -0.02 0.00 0.00 33.50 32.61 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 -0.95 1.99 -3.98 -0.52 0.63 -1.26 -4.96 116.66 107.60 3i6a n ARG 204 Ca 0.16 0.70 -0.21 0.00 -0.92 0.00 0.00 57.85 57.59 3i6a n ARG 204 Cb 0.08 -2.33 -0.02 0.00 0.45 0.00 0.00 32.46 30.63 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 -0.73 3.31 0.82 -0.14 -0.14 -1.26 -5.01 119.74 116.58 3i6a s LYS 205 Ca 0.65 -0.84 -0.11 0.00 -1.36 0.00 0.00 55.97 54.31 3i6a s LYS 205 Cb -0.64 -2.81 0.08 0.00 -1.68 0.00 0.00 37.83 32.78 3i6a s LYS 205 CO 0.53 0.41 1.09 -1.25 -0.76 0.00 0.00 175.35 175.36 3i6a s PRO 206 N -3.96 1.92 0.38 -1.68 0.04 -1.26 -4.84 135.00 125.59 3i6a s PRO 206 Ca 0.34 0.76 -0.28 0.00 0.04 0.00 0.00 61.00 61.86 3i6a s PRO 206 Cb -0.09 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.46 3i6a s PRO 206 CO 0.28 -1.77 1.43 -2.14 0.04 0.00 0.00 177.00 174.85 3i6a s PRO 207 N -5.06 4.12 0.26 0.56 0.02 -1.26 -4.09 135.00 129.54 3i6a s PRO 207 Ca 0.61 2.46 -0.31 0.00 0.02 0.00 0.00 61.00 63.79 3i6a s PRO 207 Cb -0.16 -2.95 -0.12 0.00 0.02 0.00 0.00 34.50 31.30 3i6a s PRO 207 CO 0.55 -0.48 1.66 -1.25 -0.33 0.00 0.00 177.00 177.15 3i6a s PRO 208 N -2.07 4.11 0.44 5.54 0.04 -1.26 -5.01 135.00 136.79 3i6a s PRO 208 Ca 0.53 2.61 0.07 0.00 0.04 0.00 0.00 61.00 64.25 3i6a s PRO 208 Cb -0.44 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 3i6a s PRO 208 CO 0.60 -0.70 0.36 0.16 0.04 0.00 0.00 177.00 177.46 3i6a s ASP 209 N 0.81 4.91 0.31 6.66 1.47 -1.26 -4.97 116.67 124.60 3i6a s ASP 209 Ca 0.69 -0.86 0.09 0.00 1.18 0.00 0.00 52.55 53.64 3i6a s ASP 209 Cb -0.49 -0.42 0.85 0.00 -0.34 0.00 0.00 42.92 42.52 3i6a s ASP 209 CO 0.41 -0.71 1.74 -0.33 0.68 0.00 0.00 175.17 176.96 3i6a h GLU 210 N 1.03 0.61 -0.35 2.11 4.39 -1.98 0.50 114.58 120.89 3i6a h GLU 210 Ca -0.41 -0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.22 3i6a h GLU 210 Cb 1.27 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.77 3i6a h GLU 210 CO 0.59 0.40 0.07 0.82 -1.16 0.00 0.00 179.01 179.73 3i6a h ILE 211 N 0.63 1.23 -0.65 3.13 2.04 -1.99 -1.56 117.51 120.34 3i6a h ILE 211 Ca 0.63 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.70 3i6a h ILE 211 Cb 1.14 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 3i6a h ILE 211 CO -0.45 0.27 0.41 0.22 0.00 0.00 0.00 178.15 178.59 3i6a h TYR 212 N 0.41 0.85 -0.32 1.37 5.03 -1.33 -1.05 116.97 121.92 3i6a h TYR 212 Ca 0.11 0.01 -0.11 0.00 2.58 0.00 0.00 58.73 61.31 3i6a h TYR 212 Cb 0.32 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.31 3i6a h TYR 212 CO 0.02 0.56 -0.26 0.28 -1.32 0.00 0.00 178.16 177.44 3i6a h VAL 213 N 0.89 1.27 -0.31 1.81 2.07 -1.07 -1.89 116.25 119.03 3i6a h VAL 213 Ca 0.24 -1.34 -0.11 0.00 0.82 0.00 0.00 66.70 66.30 3i6a h VAL 213 Cb -0.05 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 3i6a h VAL 213 CO -0.05 0.44 -0.25 -0.09 0.02 0.00 0.00 177.57 177.64 3i6a h ARG 214 N 0.55 0.71 -0.84 1.57 2.43 -1.06 -2.72 114.38 115.03 3i6a h ARG 214 Ca 0.08 -0.36 0.10 0.00 -0.81 0.00 0.00 59.98 58.99 3i6a h ARG 214 Cb 0.73 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.21 3i6a h ARG 214 CO 0.06 0.97 0.48 0.00 -1.51 0.00 0.00 179.97 179.97 3i6a h THR 215 N 0.47 0.89 -0.41 0.20 1.03 -0.92 -1.23 112.91 112.93 3i6a h THR 215 Ca 0.06 -0.27 -0.09 0.00 -0.01 0.00 0.00 66.41 66.10 3i6a h THR 215 Cb 0.81 0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.91 3i6a h THR 215 CO 0.07 0.14 -0.08 0.58 -0.01 0.00 0.00 175.52 176.22 3i6a h VAL 216 N 0.79 1.27 -0.45 0.00 2.07 -1.23 -1.28 116.25 117.42 3i6a h VAL 216 Ca 0.41 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3i6a h VAL 216 Cb 0.41 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3i6a h VAL 216 CO -0.26 0.39 0.29 1.88 0.02 0.00 0.00 177.57 179.89 3i6a h TYR 217 N 0.60 0.57 -0.26 1.57 0.05 -1.34 -2.35 116.97 115.82 3i6a h TYR 217 Ca 0.11 0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.97 3i6a h TYR 217 Cb 0.60 -0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 3i6a h TYR 217 CO 0.05 0.38 0.21 -0.91 -1.05 0.00 0.00 178.16 176.84 3i6a h ASN 218 N 0.60 0.00 0.79 3.88 4.21 -0.95 -1.03 115.58 123.08 3i6a h ASN 218 Ca 0.16 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.55 3i6a h ASN 218 Cb -0.04 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.14 3i6a h ASN 218 CO -0.03 0.00 -0.59 0.40 -1.29 0.00 0.00 177.43 175.91 3i6a h ILE 219 N 0.00 1.29 -0.02 2.81 2.04 -0.71 -3.39 117.51 119.53 3i6a h ILE 219 Ca 0.13 -2.13 0.00 0.00 1.00 0.00 0.00 64.86 63.86 3i6a h ILE 219 Cb 0.55 2.19 0.00 0.00 -0.74 0.00 0.00 36.82 38.83 3i6a h ILE 219 CO -0.00 0.58 0.00 0.49 0.00 0.00 0.00 178.15 179.22