#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i69 s GLU 3 N 0.00 3.68 0.54 0.00 8.01 -1.26 -5.07 118.70 124.60 3i69 s GLU 3 Ca 0.00 0.35 -0.20 0.00 0.01 0.00 0.00 54.97 55.13 3i69 s GLU 3 Cb 0.00 -2.39 -0.05 0.00 -4.31 0.00 0.00 34.13 27.38 3i69 s GLU 3 CO 0.00 -0.10 1.18 0.15 0.01 0.00 0.00 175.26 176.49 3i69 s LYS 4 N -4.21 3.28 0.21 1.61 1.02 -1.26 -4.86 119.74 115.53 3i69 s LYS 4 Ca 0.50 1.76 -0.31 0.00 0.02 0.00 0.00 55.97 57.94 3i69 s LYS 4 Cb -0.10 -2.07 -0.16 0.00 -0.52 0.00 0.00 37.83 34.98 3i69 s LYS 4 CO 0.37 -0.94 1.00 -2.30 -0.92 0.00 0.00 175.35 172.56 3i69 n PRO 5 N -1.23 0.97 -3.96 -1.68 -0.02 -1.26 -4.77 135.00 123.05 3i69 n PRO 5 Ca 0.11 0.34 -0.34 0.00 -2.02 0.00 0.00 63.50 61.60 3i69 n PRO 5 Cb 0.50 -1.71 -0.14 0.00 -0.02 0.00 0.00 33.50 32.12 3i69 n PRO 5 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3i69 s LYS 6 N -0.87 2.51 -0.45 -0.52 2.20 -0.54 -1.07 119.74 121.01 3i69 s LYS 6 Ca 0.67 -1.19 -0.17 0.00 -0.36 0.00 0.00 55.97 54.92 3i69 s LYS 6 Cb -0.83 -3.05 0.04 0.00 -1.51 0.00 0.00 37.83 32.48 3i69 s LYS 6 CO 0.56 -0.54 0.45 -0.51 -0.36 0.00 0.00 175.35 174.95 3i69 s LEU 7 N 1.24 5.14 -0.33 5.43 1.02 0.15 -1.38 118.68 129.95 3i69 s LEU 7 Ca -0.04 -0.95 -0.20 0.00 0.02 0.00 0.00 54.13 52.96 3i69 s LEU 7 Cb -0.19 -2.31 -0.00 0.00 0.02 0.00 0.00 46.19 43.71 3i69 s LEU 7 CO -0.03 -0.65 0.60 -1.00 0.02 0.00 0.00 176.35 175.29 3i69 s HIS 8 N 2.04 3.18 0.35 0.29 3.76 -0.24 -1.66 115.29 123.02 3i69 s HIS 8 Ca 0.09 0.41 -0.17 0.00 -0.15 0.00 0.00 55.06 55.24 3i69 s HIS 8 Cb -0.20 -3.02 0.05 0.00 1.11 0.00 0.00 32.58 30.52 3i69 s HIS 8 CO 0.11 -0.53 0.79 -0.47 -0.85 0.00 0.00 174.74 173.78 3i69 s TYR 9 N 2.58 0.05 0.77 1.40 5.04 -1.22 -2.93 117.35 123.05 3i69 s TYR 9 Ca 0.23 -0.67 -0.11 0.00 -2.44 0.00 0.00 57.07 54.07 3i69 s TYR 9 Cb -0.15 0.81 0.06 0.00 0.35 0.00 0.00 41.96 43.03 3i69 s TYR 9 CO 0.13 -1.47 1.11 -0.06 -1.34 0.00 0.00 175.55 173.92 3i69 s PHE 10 N -2.63 2.41 -1.46 4.97 0.40 -1.26 -0.09 117.98 120.32 3i69 s PHE 10 Ca 0.15 1.59 -0.13 0.00 -0.60 0.00 0.00 56.93 57.94 3i69 s PHE 10 Cb -0.05 -3.14 0.00 0.00 0.51 0.00 0.00 43.02 40.35 3i69 s PHE 10 CO 0.10 -1.97 2.37 -1.71 0.70 0.00 0.00 175.22 174.71 3i69 n ASN 11 N -3.39 4.85 -0.93 1.36 5.15 -1.26 -4.79 115.26 116.25 3i69 n ASN 11 Ca 0.10 -2.77 0.00 0.00 -0.60 0.00 0.00 54.58 51.31 3i69 n ASN 11 Cb 0.53 -1.61 0.00 0.00 -0.53 0.00 0.00 39.78 38.17 3i69 n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3i69 n GLY 12 N 4.01 1.41 0.00 8.20 0.00 -1.26 -4.99 105.19 112.56 3i69 n GLY 12 Ca 0.57 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3i69 n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i69 n ARG 13 N 0.00 0.00 0.00 1.61 1.74 -1.26 -4.76 116.66 114.00 3i69 n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i69 n ARG 13 Cb 0.00 -0.68 0.00 0.00 -1.02 0.00 0.00 32.46 30.76 3i69 n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i69 n GLY 14 N 1.27 1.66 0.01 -0.13 0.00 -1.26 -2.46 105.19 104.28 3i69 n GLY 14 Ca 0.00 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.04 3i69 n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i69 n ARG 15 N 12.58 0.71 -0.03 1.61 1.74 -1.26 -3.39 116.66 128.63 3i69 n ARG 15 Ca 0.00 -0.03 0.06 0.00 -0.77 0.00 0.00 57.85 57.12 3i69 n ARG 15 Cb 0.00 -1.50 -0.17 0.00 -1.02 0.00 0.00 32.46 29.77 3i69 n ARG 15 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 3i69 n MET 16 N -1.12 0.67 -0.32 5.56 1.56 -1.10 -4.60 117.12 117.77 3i69 n MET 16 Ca 0.19 -0.16 0.03 0.00 -0.27 0.00 0.00 57.70 57.49 3i69 n MET 16 Cb 0.19 -1.51 0.21 0.00 2.15 0.00 0.00 33.22 34.25 3i69 n MET 16 CO 0.00 0.00 0.00 1.49 -0.73 0.00 0.00 175.97 176.73 3i69 h GLU 17 N 0.00 1.07 -0.02 2.12 4.57 -1.49 0.13 114.58 120.95 3i69 h GLU 17 Ca -0.12 -0.06 -0.08 0.00 -1.18 0.00 0.00 59.36 57.92 3i69 h GLU 17 Cb 1.26 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 3i69 h GLU 17 CO 0.01 0.71 -0.35 0.66 -1.18 0.00 0.00 179.01 178.85 3i69 h SER 18 N 1.10 0.05 -0.40 1.04 4.64 -1.82 -1.09 113.55 117.07 3i69 h SER 18 Ca 0.39 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.56 3i69 h SER 18 Cb 0.13 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3i69 h SER 18 CO -0.14 0.40 -0.26 0.74 -0.87 0.00 0.00 176.83 176.70 3i69 h THR 19 N 0.04 1.28 -0.15 2.95 2.02 -1.28 -2.47 112.91 115.30 3i69 h THR 19 Ca 0.00 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.76 3i69 h THR 19 Cb 0.64 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 3i69 h THR 19 CO 0.05 0.48 0.09 0.03 0.37 0.00 0.00 175.52 176.54 3i69 h ARG 20 N 0.71 0.19 -0.88 6.66 3.08 -0.74 -1.99 114.38 121.41 3i69 h ARG 20 Ca 0.08 -0.01 0.13 0.00 0.07 0.00 0.00 59.98 60.25 3i69 h ARG 20 Cb 0.84 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 30.76 3i69 h ARG 20 CO 0.07 0.14 0.49 -1.49 -1.07 0.00 0.00 179.97 178.12 3i69 h TRP 21 N 0.19 0.87 0.13 3.04 4.06 -1.18 -0.28 115.95 122.78 3i69 h TRP 21 Ca 0.05 0.03 -0.22 0.00 2.06 0.00 0.00 58.89 60.82 3i69 h TRP 21 Cb -0.01 -0.26 0.02 0.00 -1.00 0.00 0.00 29.16 27.92 3i69 h TRP 21 CO -0.06 0.27 -0.93 1.25 -3.56 0.00 0.00 178.44 175.40 3i69 h LEU 22 N 0.73 0.60 -0.06 -4.49 5.85 -1.25 0.20 115.31 116.89 3i69 h LEU 22 Ca 0.46 -0.89 0.02 0.00 0.84 0.00 0.00 57.88 58.31 3i69 h LEU 22 Cb 0.58 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3i69 h LEU 22 CO -0.32 1.44 -0.04 -0.07 -0.34 0.00 0.00 178.44 179.10 3i69 h LEU 23 N -0.14 -0.14 -0.43 2.25 3.38 -1.38 0.32 115.31 119.17 3i69 h LEU 23 Ca -0.15 0.03 0.09 0.00 0.09 0.00 0.00 57.88 57.94 3i69 h LEU 23 Cb 1.70 0.08 -0.09 0.00 0.09 0.00 0.00 40.66 42.43 3i69 h LEU 23 CO 0.18 -0.06 -0.22 0.00 0.09 0.00 0.00 178.44 178.42 3i69 h ALA 24 N 1.01 0.07 -0.24 1.53 0.00 -1.00 -0.03 119.26 120.61 3i69 h ALA 24 Ca 0.04 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3i69 h ALA 24 Cb 0.11 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3i69 h ALA 24 CO -0.10 -0.58 -0.29 0.00 0.00 0.00 0.00 179.25 178.28 3i69 h ALA 25 N 1.12 1.05 -0.04 0.00 0.00 -0.39 -1.96 119.26 119.04 3i69 h ALA 25 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3i69 h ALA 25 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i69 h ALA 25 CO -0.51 0.58 0.00 0.00 0.00 0.00 0.00 179.25 179.32 3i69 n ALA 26 N -2.49 2.59 -0.67 0.00 0.00 0.08 -4.78 120.51 115.24 3i69 n ALA 26 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.23 3i69 n ALA 26 Cb 0.43 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3i69 n ALA 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i69 n GLY 27 N 0.87 0.75 3.69 0.00 0.00 -0.10 -5.02 105.19 105.37 3i69 n GLY 27 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3i69 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i69 s VAL 28 N -2.66 4.93 0.41 1.61 1.01 -0.71 -5.00 120.40 119.99 3i69 s VAL 28 Ca 0.00 1.61 -0.23 0.00 0.00 0.00 0.00 61.98 63.35 3i69 s VAL 28 Cb 0.00 -4.12 -0.09 0.00 0.00 0.00 0.00 36.38 32.17 3i69 s VAL 28 CO 0.00 0.10 1.02 -1.61 0.00 0.00 0.00 175.10 174.61 3i69 s GLU 29 N 1.68 4.15 0.16 2.72 2.02 -1.26 -4.28 118.70 123.89 3i69 s GLU 29 Ca 0.39 1.41 -0.12 0.00 0.02 0.00 0.00 54.97 56.67 3i69 s GLU 29 Cb -0.17 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.62 3i69 s GLU 29 CO 0.15 -0.13 0.35 -0.59 0.02 0.00 0.00 175.26 175.06 3i69 s PHE 30 N -1.78 0.19 0.27 1.61 -0.12 -1.26 -4.29 117.98 112.59 3i69 s PHE 30 Ca 0.59 -0.55 0.11 0.00 -0.05 0.00 0.00 56.93 57.03 3i69 s PHE 30 Cb -0.19 0.09 -0.05 0.00 -0.63 0.00 0.00 43.02 42.25 3i69 s PHE 30 CO 0.24 -0.76 -0.09 -1.21 -0.05 0.00 0.00 175.22 173.35 3i69 s GLU 31 N -3.92 2.02 -0.00 1.99 2.02 -0.23 -5.00 118.70 115.58 3i69 s GLU 31 Ca 0.13 -1.55 0.05 0.00 0.02 0.00 0.00 54.97 53.62 3i69 s GLU 31 Cb 0.02 -2.00 -0.01 0.00 0.10 0.00 0.00 34.13 32.24 3i69 s GLU 31 CO -0.03 0.36 -0.16 -1.21 0.02 0.00 0.00 175.26 174.24 3i69 s GLU 32 N -3.55 1.23 -0.33 1.61 2.02 -1.26 0.29 118.70 118.72 3i69 s GLU 32 Ca 0.30 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.69 3i69 s GLU 32 Cb -0.06 -1.21 0.08 0.00 0.10 0.00 0.00 34.13 33.05 3i69 s GLU 32 CO 0.18 0.33 0.04 0.21 0.02 0.00 0.00 175.26 176.03 3i69 s LYS 33 N -0.52 2.00 -0.05 1.61 2.20 -0.66 -4.88 119.74 119.43 3i69 s LYS 33 Ca 0.06 -1.60 -0.30 0.00 -0.36 0.00 0.00 55.97 53.76 3i69 s LYS 33 Cb -0.06 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 3i69 s LYS 33 CO -0.00 -0.82 1.22 -0.06 -0.36 0.00 0.00 175.35 175.33 3i69 s PHE 34 N 1.09 3.16 -0.36 4.03 0.08 -1.26 -3.40 117.98 121.32 3i69 s PHE 34 Ca 0.02 1.18 -0.29 0.00 0.12 0.00 0.00 56.93 57.96 3i69 s PHE 34 Cb -0.20 -3.44 0.00 0.00 -0.57 0.00 0.00 43.02 38.81 3i69 s PHE 34 CO -0.05 -1.41 1.43 0.42 -0.10 0.00 0.00 175.22 175.51 3i69 s ILE 35 N 2.25 3.91 -1.37 0.64 1.01 0.86 -4.89 121.20 123.62 3i69 s ILE 35 Ca 0.56 0.97 0.19 0.00 0.00 0.00 0.00 60.65 62.37 3i69 s ILE 35 Cb -0.25 -4.11 -0.08 0.00 0.01 0.00 0.00 42.46 38.02 3i69 s ILE 35 CO 0.22 -0.63 0.88 0.29 0.00 0.00 0.00 174.94 175.70 3i69 n LYS 36 N 7.88 1.30 -3.84 2.79 4.76 -1.26 -4.32 118.16 125.47 3i69 n LYS 36 Ca 0.17 -0.53 -0.08 0.00 -2.87 0.00 0.00 58.31 55.00 3i69 n LYS 36 Cb 0.47 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 3i69 n LYS 36 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3i69 s SER 37 N -2.39 -0.11 0.46 4.39 1.04 -1.26 -4.98 113.70 110.85 3i69 s SER 37 Ca 0.12 -0.89 0.23 0.00 0.48 0.00 0.00 55.95 55.89 3i69 s SER 37 Cb 0.15 0.79 1.12 0.00 0.10 0.00 0.00 66.02 68.17 3i69 s SER 37 CO 0.59 -1.51 1.94 0.00 0.98 0.00 0.00 173.24 175.24 3i69 h ALA 38 N 2.01 1.23 0.00 5.32 0.00 -1.80 -3.12 119.26 122.89 3i69 h ALA 38 Ca -0.26 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 3i69 h ALA 38 Cb 1.25 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.02 3i69 h ALA 38 CO 0.32 0.27 -0.61 0.93 0.00 0.00 0.00 179.25 180.16 3i69 h GLU 39 N 0.00 0.41 -0.38 0.00 3.07 -1.95 -1.82 114.58 113.91 3i69 h GLU 39 Ca -0.00 -0.44 -0.01 0.00 -0.50 0.00 0.00 59.36 58.41 3i69 h GLU 39 Cb 0.54 0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.55 3i69 h GLU 39 CO 0.03 1.11 0.21 -0.44 -1.40 0.00 0.00 179.01 178.51 3i69 h ASP 40 N -0.11 0.45 0.03 1.42 3.32 -1.96 -0.40 116.42 119.17 3i69 h ASP 40 Ca -0.08 -0.03 -0.16 0.00 0.02 0.00 0.00 57.03 56.79 3i69 h ASP 40 Cb 1.32 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.77 3i69 h ASP 40 CO 0.12 0.37 -0.63 0.25 -1.72 0.00 0.00 179.24 177.63 3i69 h LEU 41 N 0.52 0.50 -1.70 1.55 5.85 -1.55 -2.76 115.31 117.73 3i69 h LEU 41 Ca 0.14 -0.80 -0.04 0.00 0.84 0.00 0.00 57.88 58.01 3i69 h LEU 41 Cb 0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3i69 h LEU 41 CO -0.02 1.25 -0.18 0.44 -0.34 0.00 0.00 178.44 179.58 3i69 h ASP 42 N -0.18 0.00 -0.20 1.25 3.32 -1.20 -2.01 116.42 117.40 3i69 h ASP 42 Ca -0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3i69 h ASP 42 Cb 1.37 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.91 3i69 h ASP 42 CO 0.12 0.18 0.08 0.50 -1.72 0.00 0.00 179.24 178.40 3i69 h LYS 43 N 0.00 0.30 -0.73 3.56 1.63 -1.03 -0.99 116.57 119.30 3i69 h LYS 43 Ca -0.00 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.68 3i69 h LYS 43 Cb 0.41 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 3i69 h LYS 43 CO 0.02 0.37 0.21 -0.07 -3.45 0.00 0.00 179.45 176.54 3i69 h LEU 44 N 0.17 1.08 0.60 5.20 3.38 -1.15 -1.53 115.31 123.07 3i69 h LEU 44 Ca 0.07 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3i69 h LEU 44 Cb 0.19 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.66 3i69 h LEU 44 CO -0.00 1.02 -0.29 0.03 0.09 0.00 0.00 178.44 179.28 3i69 h ARG 45 N 1.10 -0.78 -1.00 1.13 3.08 -1.36 -2.66 114.38 113.89 3i69 h ARG 45 Ca 0.23 0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.51 3i69 h ARG 45 Cb 0.33 0.18 -0.10 0.00 0.08 0.00 0.00 29.97 30.46 3i69 h ARG 45 CO -0.00 -0.47 0.62 -0.91 -1.07 0.00 0.00 179.97 178.14 3i69 h ASN 46 N -1.05 0.82 0.00 7.04 2.35 -1.19 -1.01 115.58 122.54 3i69 h ASN 46 Ca -0.08 0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i69 h ASN 46 Cb 0.67 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3i69 h ASN 46 CO 0.14 0.33 0.00 0.47 -1.65 0.00 0.00 177.43 176.71 3i69 n ASP 47 N -4.73 0.00 -1.23 5.81 9.92 -0.58 -4.90 116.55 120.84 3i69 n ASP 47 Ca 0.22 -0.97 -0.12 0.00 -0.53 0.00 0.00 54.79 53.39 3i69 n ASP 47 Cb 0.52 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.98 3i69 n ASP 47 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3i69 n GLY 48 N 0.71 0.45 0.17 0.44 0.00 -0.38 -4.90 105.19 101.67 3i69 n GLY 48 Ca 0.19 -0.40 0.13 0.00 0.00 0.00 0.00 46.02 45.93 3i69 n GLY 48 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3i69 n TYR 49 N -3.46 0.00 -3.90 1.61 4.02 -1.01 -4.76 117.16 109.65 3i69 n TYR 49 Ca -0.14 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.45 3i69 n TYR 49 Cb 0.53 -0.16 -0.16 0.00 -0.02 0.00 0.00 39.34 39.53 3i69 n TYR 49 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3i69 s LEU 50 N -2.65 2.56 0.26 7.72 1.43 -1.26 -4.91 118.68 121.84 3i69 s LEU 50 Ca 0.21 -1.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.03 3i69 s LEU 50 Cb 0.19 -1.12 0.47 0.00 0.03 0.00 0.00 46.19 45.76 3i69 s LEU 50 CO 0.57 -0.27 1.83 -0.03 0.23 0.00 0.00 176.35 178.68 3i69 h MET 51 N 7.97 0.90 -0.24 1.70 1.85 -1.87 -2.49 114.93 122.74 3i69 h MET 51 Ca -0.16 -0.05 -0.09 0.00 -0.61 0.00 0.00 59.70 58.78 3i69 h MET 51 Cb 1.07 -0.20 -0.05 0.00 0.43 0.00 0.00 31.60 32.84 3i69 h MET 51 CO 0.42 0.60 -0.09 1.19 -0.40 0.00 0.00 176.91 178.62 3i69 n PHE 52 N -4.66 0.79 -1.36 1.39 3.72 -1.26 -4.97 117.46 111.12 3i69 n PHE 52 Ca 0.16 -1.33 -0.12 0.00 -0.05 0.00 0.00 57.45 56.11 3i69 n PHE 52 Cb 0.30 -0.38 -0.05 0.00 -0.94 0.00 0.00 39.48 38.41 3i69 n PHE 52 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3i69 n GLN 53 N -1.01 -1.02 -4.18 -1.08 1.13 -0.94 -4.99 117.38 105.30 3i69 n GLN 53 Ca 0.26 0.91 -0.16 0.00 -1.94 0.00 0.00 57.00 56.08 3i69 n GLN 53 Cb 0.91 -4.99 -0.11 0.00 0.11 0.00 0.00 30.24 26.15 3i69 n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3i69 s GLN 54 N -2.96 0.84 0.32 -1.09 -0.21 -1.26 -4.97 119.66 110.33 3i69 s GLN 54 Ca 0.00 -1.09 0.07 0.00 0.02 0.00 0.00 55.36 54.36 3i69 s GLN 54 Cb 0.00 -0.65 -0.02 0.00 1.00 0.00 0.00 33.01 33.34 3i69 s GLN 54 CO 0.00 0.12 0.42 0.14 -2.12 0.00 0.00 175.29 173.85 3i69 s VAL 55 N -2.00 4.14 0.78 1.09 -7.23 -1.26 -4.70 120.40 111.21 3i69 s VAL 55 Ca 0.03 -1.07 -0.12 0.00 -1.81 0.00 0.00 61.98 59.01 3i69 s VAL 55 Cb -0.06 -3.43 0.06 0.00 0.56 0.00 0.00 36.38 33.52 3i69 s VAL 55 CO 0.01 -0.19 1.12 -2.16 -0.31 0.00 0.00 175.10 173.58 3i69 s PRO 56 N -4.11 2.06 -0.11 4.82 0.05 -1.26 -4.95 135.00 131.50 3i69 s PRO 56 Ca 0.43 1.38 -0.07 0.00 0.05 0.00 0.00 61.00 62.79 3i69 s PRO 56 Cb -0.09 -1.86 0.04 0.00 0.05 0.00 0.00 34.50 32.64 3i69 s PRO 56 CO 0.30 -1.82 0.27 1.41 0.05 0.00 0.00 177.00 177.21 3i69 s MET 57 N -4.54 0.26 -0.13 4.56 1.75 -1.15 -3.99 119.30 116.06 3i69 s MET 57 Ca 0.65 0.52 0.02 0.00 -1.25 0.00 0.00 55.69 55.63 3i69 s MET 57 Cb -0.21 -0.03 0.01 0.00 2.84 0.00 0.00 34.83 37.44 3i69 s MET 57 CO 0.52 -0.13 -0.20 0.08 -0.65 0.00 0.00 175.02 174.64 3i69 s VAL 58 N 0.97 1.89 -0.56 10.11 1.01 -0.75 -1.08 120.40 131.99 3i69 s VAL 58 Ca -0.07 -0.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.81 3i69 s VAL 58 Cb -0.08 -1.69 0.05 0.00 0.00 0.00 0.00 36.38 34.67 3i69 s VAL 58 CO -0.07 0.52 0.86 -1.61 0.00 0.00 0.00 175.10 174.80 3i69 s GLU 59 N 0.87 3.23 -0.01 2.72 2.02 -0.48 -2.03 118.70 125.03 3i69 s GLU 59 Ca -0.07 -0.55 -0.00 0.00 0.02 0.00 0.00 54.97 54.38 3i69 s GLU 59 Cb -0.15 -4.10 0.01 0.00 0.10 0.00 0.00 34.13 29.99 3i69 s GLU 59 CO -0.02 -1.48 0.01 -1.50 0.02 0.00 0.00 175.26 172.29 3i69 s ILE 60 N 3.61 -0.02 -1.65 -1.63 2.07 -1.05 -1.46 121.20 121.07 3i69 s ILE 60 Ca 0.25 0.07 -0.12 0.00 -1.41 0.00 0.00 60.65 59.44 3i69 s ILE 60 Cb -0.15 -0.04 0.11 0.00 0.13 0.00 0.00 42.46 42.51 3i69 s ILE 60 CO 0.15 0.03 0.51 0.47 -1.91 0.00 0.00 174.94 174.19 3i69 n ASP 61 N 3.43 -1.47 0.00 4.50 8.00 -1.26 -1.90 116.55 127.86 3i69 n ASP 61 Ca -0.17 -1.12 0.00 0.00 0.71 0.00 0.00 54.79 54.21 3i69 n ASP 61 Cb 0.57 -2.34 0.00 0.00 -0.02 0.00 0.00 41.12 39.33 3i69 n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i69 n GLY 62 N -1.70 2.75 3.86 0.44 0.00 -1.26 -5.01 105.19 104.27 3i69 n GLY 62 Ca -0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 3i69 n GLY 62 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3i69 s MET 63 N -0.38 3.06 -0.46 1.61 -1.94 -0.80 -5.08 119.30 115.32 3i69 s MET 63 Ca 0.00 -0.93 0.01 0.00 -1.71 0.00 0.00 55.69 53.06 3i69 s MET 63 Cb 0.00 -2.67 0.12 0.00 2.01 0.00 0.00 34.83 34.29 3i69 s MET 63 CO 0.00 0.43 0.22 0.15 -0.01 0.00 0.00 175.02 175.81 3i69 s LYS 64 N -3.69 1.95 -0.36 2.03 1.02 -1.26 -2.53 119.74 116.90 3i69 s LYS 64 Ca 0.33 -2.16 -0.23 0.00 0.02 0.00 0.00 55.97 53.93 3i69 s LYS 64 Cb -0.09 -3.44 0.01 0.00 -0.52 0.00 0.00 37.83 33.79 3i69 s LYS 64 CO 0.26 -1.06 0.77 -0.51 -0.92 0.00 0.00 175.35 173.88 3i69 s LEU 65 N 0.51 4.14 0.68 3.17 1.43 -0.86 -4.86 118.68 122.89 3i69 s LEU 65 Ca 0.13 0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 53.58 3i69 s LEU 65 Cb -0.22 -3.01 0.10 0.00 0.03 0.00 0.00 46.19 43.10 3i69 s LEU 65 CO -0.04 -0.71 0.95 0.68 0.23 0.00 0.00 176.35 177.46 3i69 s VAL 66 N 3.04 2.27 0.05 -1.59 -7.23 -1.26 -1.81 120.40 113.87 3i69 s VAL 66 Ca 0.31 -0.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 3i69 s VAL 66 Cb -0.13 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.12 3i69 s VAL 66 CO 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 174.95 3i69 n GLN 67 N -2.74 -2.84 -0.34 4.82 1.13 -1.26 -4.42 117.38 111.74 3i69 n GLN 67 Ca 0.13 2.27 0.10 0.00 -1.94 0.00 0.00 57.00 57.56 3i69 n GLN 67 Cb 0.60 -2.54 0.29 0.00 0.11 0.00 0.00 30.24 28.70 3i69 n GLN 67 CO 0.00 0.00 0.00 1.15 -1.44 0.00 0.00 177.06 176.77 3i69 h THR 68 N 2.26 0.84 -0.15 5.09 2.02 -1.90 -1.43 112.91 119.65 3i69 h THR 68 Ca 0.00 -0.30 -0.17 0.00 0.77 0.00 0.00 66.41 66.71 3i69 h THR 68 Cb 0.00 -0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 66.30 3i69 h THR 68 CO 0.00 0.16 -0.62 0.03 0.37 0.00 0.00 175.52 175.46 3i69 h ARG 69 N 0.87 0.52 0.24 6.66 3.08 -1.97 0.10 114.38 123.88 3i69 h ARG 69 Ca 0.51 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 3i69 h ARG 69 Cb 0.66 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.77 3i69 h ARG 69 CO -0.29 0.98 -0.11 0.00 -1.07 0.00 0.00 179.97 179.48 3i69 h ALA 70 N 0.93 -0.32 -0.18 0.04 0.00 -1.55 0.57 119.26 118.75 3i69 h ALA 70 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3i69 h ALA 70 Cb 1.18 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.02 3i69 h ALA 70 CO 0.11 -0.67 -0.33 0.82 0.00 0.00 0.00 179.25 179.18 3i69 h ILE 71 N -0.33 0.26 -0.21 0.00 2.04 -1.19 -0.59 117.51 117.49 3i69 h ILE 71 Ca -0.03 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.67 3i69 h ILE 71 Cb 0.25 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3i69 h ILE 71 CO 0.05 0.00 -0.50 -0.07 0.00 0.00 0.00 178.15 177.63 3i69 h LEU 72 N -0.38 0.63 -0.14 1.44 3.38 -0.80 -1.87 115.31 117.57 3i69 h LEU 72 Ca 0.11 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 3i69 h LEU 72 Cb 0.55 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3i69 h LEU 72 CO -0.39 1.02 0.05 0.78 0.09 0.00 0.00 178.44 179.99 3i69 h ASN 73 N 0.45 0.19 -0.55 -0.43 2.35 0.33 -0.41 115.58 117.51 3i69 h ASN 73 Ca 0.02 -0.16 0.03 0.00 -0.55 0.00 0.00 56.30 55.63 3i69 h ASN 73 Cb 1.03 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.32 3i69 h ASN 73 CO 0.10 0.30 0.33 0.22 -1.65 0.00 0.00 177.43 176.72 3i69 h TYR 74 N 0.07 0.61 -0.59 1.19 3.20 -1.01 -1.16 116.97 119.28 3i69 h TYR 74 Ca 0.05 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 3i69 h TYR 74 Cb 0.17 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3i69 h TYR 74 CO -0.02 0.35 0.06 0.82 -1.64 0.00 0.00 178.16 177.73 3i69 h ILE 75 N 0.65 1.26 -0.09 1.81 2.04 -1.25 -2.08 117.51 119.85 3i69 h ILE 75 Ca 0.22 -1.06 -0.10 0.00 1.00 0.00 0.00 64.86 64.93 3i69 h ILE 75 Cb 0.03 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3i69 h ILE 75 CO -0.10 0.39 -0.39 0.00 0.00 0.00 0.00 178.15 178.05 3i69 h ALA 76 N 1.00 1.19 0.21 1.87 0.00 -0.73 -2.85 119.26 119.94 3i69 h ALA 76 Ca 0.17 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3i69 h ALA 76 Cb 0.48 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3i69 h ALA 76 CO 0.02 0.55 -0.10 1.03 0.00 0.00 0.00 179.25 180.75 3i69 h SER 77 N 0.16 -0.24 -0.99 0.00 0.87 -1.10 0.51 113.55 112.76 3i69 h SER 77 Ca 0.02 -0.28 0.15 0.00 -1.23 0.00 0.00 61.79 60.44 3i69 h SER 77 Cb 0.76 0.06 -0.09 0.00 -0.44 0.00 0.00 62.40 62.69 3i69 h SER 77 CO 0.06 0.22 0.62 0.50 -0.53 0.00 0.00 176.83 177.70 3i69 h LYS 78 N -0.76 0.85 -0.36 2.24 3.64 -1.24 -2.22 116.57 118.72 3i69 h LYS 78 Ca -0.03 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 3i69 h LYS 78 Cb 0.51 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 3i69 h LYS 78 CO 0.05 0.57 0.02 0.66 -2.27 0.00 0.00 179.45 178.47 3i69 n TYR 79 N -4.66 1.19 -2.62 1.91 4.01 -1.09 -4.97 117.16 110.94 3i69 n TYR 79 Ca 0.20 -1.17 -0.21 0.00 -0.16 0.00 0.00 57.90 56.55 3i69 n TYR 79 Cb 0.44 -0.43 0.01 0.00 -0.31 0.00 0.00 39.34 39.05 3i69 n TYR 79 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3i69 n ASN 80 N -0.71 -5.96 -2.81 7.72 3.02 -0.84 -4.91 115.26 110.78 3i69 n ASN 80 Ca 0.28 -0.11 -0.33 0.00 -0.03 0.00 0.00 54.58 54.39 3i69 n ASN 80 Cb 1.01 -4.91 0.01 0.00 -0.61 0.00 0.00 39.78 35.28 3i69 n ASN 80 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i69 n LEU 81 N -3.37 5.98 -1.35 3.41 4.77 0.15 -4.54 117.00 122.05 3i69 n LEU 81 Ca -0.20 -5.15 0.03 0.00 -0.03 0.00 0.00 56.01 50.66 3i69 n LEU 81 Cb 0.66 -0.77 0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3i69 n LEU 81 CO 0.35 2.06 0.09 0.00 -1.33 0.00 0.00 177.39 178.57 3i69 n TYR 82 N -0.43 0.00 -0.70 -1.77 4.19 -1.12 -2.86 117.16 114.47 3i69 n TYR 82 Ca 0.44 -0.43 0.09 0.00 3.31 0.00 0.00 57.90 61.31 3i69 n TYR 82 Cb 0.43 -0.12 -0.03 0.00 0.49 0.00 0.00 39.34 40.11 3i69 n TYR 82 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3i69 n GLY 83 N 0.42 -2.04 0.26 2.98 0.00 -1.26 -4.46 105.19 101.09 3i69 n GLY 83 Ca 0.04 -1.32 0.08 0.00 0.00 0.00 0.00 46.02 44.82 3i69 n GLY 83 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3i69 n LYS 84 N -3.10 1.81 -3.82 1.61 2.85 -1.26 -4.96 118.16 111.29 3i69 n LYS 84 Ca -0.01 -0.59 -0.09 0.00 -1.05 0.00 0.00 58.31 56.57 3i69 n LYS 84 Cb 0.32 -1.25 0.02 0.00 -0.65 0.00 0.00 35.03 33.48 3i69 n LYS 84 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 177.40 177.51 3i69 s ASP 85 N -2.00 0.01 0.35 -5.58 1.47 -1.26 -5.07 116.67 104.59 3i69 s ASP 85 Ca 0.11 -1.13 0.07 0.00 1.18 0.00 0.00 52.55 52.78 3i69 s ASP 85 Cb 0.12 0.84 0.65 0.00 -0.34 0.00 0.00 42.92 44.19 3i69 s ASP 85 CO 0.45 -1.67 1.86 -0.29 0.68 0.00 0.00 175.17 176.20 3i69 h ILE 86 N 2.00 1.21 -0.05 2.11 2.10 -1.96 -2.57 117.51 120.36 3i69 h ILE 86 Ca -0.31 -0.90 -0.24 0.00 1.08 0.00 0.00 64.86 64.49 3i69 h ILE 86 Cb 1.25 1.17 0.01 0.00 -1.09 0.00 0.00 36.82 38.16 3i69 h ILE 86 CO 0.40 0.29 -0.92 0.11 -1.08 0.00 0.00 178.15 176.95 3i69 h LYS 87 N 0.35 0.61 -0.27 2.19 1.57 -2.00 -2.27 116.57 116.75 3i69 h LYS 87 Ca 0.07 -0.60 -0.00 0.00 -1.87 0.00 0.00 60.65 58.25 3i69 h LYS 87 Cb 0.43 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 3i69 h LYS 87 CO 0.02 1.21 0.16 0.93 -0.57 0.00 0.00 179.45 181.21 3i69 h GLU 88 N 0.37 0.37 -0.25 3.15 5.08 -1.91 -1.83 114.58 119.56 3i69 h GLU 88 Ca -0.09 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.05 3i69 h GLU 88 Cb 1.55 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.72 3i69 h GLU 88 CO 0.17 0.26 -0.60 0.00 -1.00 0.00 0.00 179.01 177.84 3i69 h ARG 89 N 0.37 0.82 -0.36 2.33 3.08 -1.25 -0.82 114.38 118.56 3i69 h ARG 89 Ca 0.10 -0.55 0.04 0.00 0.07 0.00 0.00 59.98 59.63 3i69 h ARG 89 Cb -0.01 0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 3i69 h ARG 89 CO -0.02 1.18 0.14 0.00 -1.07 0.00 0.00 179.97 180.20 3i69 h ALA 90 N 0.69 0.42 -0.11 0.04 0.00 -0.81 0.55 119.26 120.04 3i69 h ALA 90 Ca -0.00 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3i69 h ALA 90 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3i69 h ALA 90 CO 0.13 -0.25 -0.01 -0.07 0.00 0.00 0.00 179.25 179.05 3i69 h LEU 91 N 0.30 0.20 -0.03 0.00 3.38 -1.36 0.54 115.31 118.34 3i69 h LEU 91 Ca 0.16 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.81 3i69 h LEU 91 Cb 0.12 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3i69 h LEU 91 CO -0.15 0.49 -0.11 0.40 0.09 0.00 0.00 178.44 179.16 3i69 h ILE 92 N -0.10 0.72 -0.42 1.22 2.04 -0.94 -0.60 117.51 119.43 3i69 h ILE 92 Ca 0.03 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 3i69 h ILE 92 Cb 0.40 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3i69 h ILE 92 CO 0.01 0.00 0.26 0.44 0.00 0.00 0.00 178.15 178.86 3i69 h ASP 93 N -0.17 0.50 -0.34 1.72 3.32 0.17 0.82 116.42 122.44 3i69 h ASP 93 Ca 0.05 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3i69 h ASP 93 Cb 0.24 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3i69 h ASP 93 CO -0.13 0.39 0.20 -0.03 -1.72 0.00 0.00 179.24 177.95 3i69 h MET 94 N 0.56 0.39 -0.11 3.56 1.85 -0.71 -2.05 114.93 118.42 3i69 h MET 94 Ca 0.15 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.21 3i69 h MET 94 Cb -0.02 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 31.92 3i69 h MET 94 CO -0.03 0.26 0.04 1.88 -0.40 0.00 0.00 176.91 178.66 3i69 h TYR 95 N 0.41 0.17 0.00 1.39 0.05 -0.78 -3.08 116.97 115.13 3i69 h TYR 95 Ca 0.13 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.90 3i69 h TYR 95 Cb -0.00 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.69 3i69 h TYR 95 CO -0.07 0.28 0.00 -0.84 -1.05 0.00 0.00 178.16 176.48 3i69 h ILE 96 N 0.01 0.00 0.00 -2.88 3.07 -0.65 -2.46 117.51 114.59 3i69 h ILE 96 Ca 0.04 -0.52 -0.13 0.00 1.55 0.00 0.00 64.86 65.80 3i69 h ILE 96 Cb 0.19 1.47 -0.02 0.00 -0.27 0.00 0.00 36.82 38.19 3i69 h ILE 96 CO -0.00 0.00 -0.62 -0.33 -1.05 0.00 0.00 178.15 176.15 3i69 h GLU 97 N 0.00 0.00 -0.52 0.16 4.39 -1.31 -1.17 114.58 116.13 3i69 h GLU 97 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3i69 h GLU 97 Cb 0.55 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 3i69 h GLU 97 CO 0.00 0.62 0.20 0.78 -1.16 0.00 0.00 179.01 179.45 3i69 h GLY 98 N 3.33 0.85 1.00 -3.84 0.00 -1.36 0.44 103.07 103.48 3i69 h GLY 98 Ca -0.01 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.78 3i69 h GLY 98 CO 0.08 0.44 -0.02 -2.22 0.00 0.00 0.00 176.54 174.82 3i69 h ILE 99 N 0.71 1.26 -0.54 2.60 2.04 -1.45 -1.83 117.51 120.30 3i69 h ILE 99 Ca 0.17 -1.09 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 3i69 h ILE 99 Cb 0.21 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 3i69 h ILE 99 CO -0.01 0.38 0.13 0.00 0.00 0.00 0.00 178.15 178.65 3i69 h ALA 100 N 0.91 1.22 0.40 1.87 0.00 -1.13 0.86 119.26 123.37 3i69 h ALA 100 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3i69 h ALA 100 Cb 0.54 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3i69 h ALA 100 CO 0.03 0.54 -0.19 -0.44 0.00 0.00 0.00 179.25 179.19 3i69 h ASP 101 N 0.80 -0.45 -0.39 0.00 3.32 -0.64 0.20 116.42 119.26 3i69 h ASP 101 Ca 0.18 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3i69 h ASP 101 Cb 0.29 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 3i69 h ASP 101 CO -0.00 -0.29 0.21 0.25 -1.72 0.00 0.00 179.24 177.69 3i69 h LEU 102 N -0.57 0.50 -1.48 1.55 5.85 -1.19 -2.47 115.31 117.49 3i69 h LEU 102 Ca -0.05 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.57 3i69 h LEU 102 Cb 0.43 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.34 3i69 h LEU 102 CO 0.09 0.46 0.00 1.23 -0.34 0.00 0.00 178.44 179.88 3i69 h GLY 103 N 0.50 0.00 1.86 3.75 0.00 0.78 -1.64 103.07 108.32 3i69 h GLY 103 Ca 0.14 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.33 3i69 h GLY 103 CO -0.02 0.00 -0.59 -2.09 0.00 0.00 0.00 176.54 173.83 3i69 h GLU 104 N 0.00 0.15 -0.20 4.80 4.57 -0.12 -2.69 114.58 121.08 3i69 h GLU 104 Ca 0.00 -0.10 -0.12 0.00 -1.18 0.00 0.00 59.36 57.97 3i69 h GLU 104 Cb 0.35 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3i69 h GLU 104 CO 0.00 0.70 -0.33 0.52 -1.18 0.00 0.00 179.01 178.72 3i69 h MET 105 N 0.11 0.58 -0.23 1.92 2.86 -1.15 -2.97 114.93 116.03 3i69 h MET 105 Ca -0.01 -0.35 -0.09 0.00 -2.06 0.00 0.00 59.70 57.19 3i69 h MET 105 Cb 1.08 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 3i69 h MET 105 CO 0.09 0.96 -0.24 0.82 1.06 0.00 0.00 176.91 179.60 3i69 h ILE 106 N 0.25 1.26 -0.50 -1.22 2.04 -1.55 -1.56 117.51 116.22 3i69 h ILE 106 Ca 0.02 -1.21 -0.11 0.00 1.00 0.00 0.00 64.86 64.55 3i69 h ILE 106 Cb 0.91 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3i69 h ILE 106 CO 0.07 0.38 -0.14 0.40 0.00 0.00 0.00 178.15 178.87 3i69 h ILE 107 N 0.39 1.27 0.01 -0.67 2.04 -1.51 -3.20 117.51 115.84 3i69 h ILE 107 Ca 0.06 -1.28 -0.20 0.00 1.00 0.00 0.00 64.86 64.44 3i69 h ILE 107 Cb 0.63 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 3i69 h ILE 107 CO 0.05 0.45 -0.89 0.24 0.00 0.00 0.00 178.15 177.99 3i69 h MET 108 N 0.85 0.16 -0.86 2.37 2.86 -1.39 -3.39 114.93 115.53 3i69 h MET 108 Ca 0.13 -0.18 0.09 0.00 -2.06 0.00 0.00 59.70 57.68 3i69 h MET 108 Cb 0.69 0.05 -0.11 0.00 0.06 0.00 0.00 31.60 32.29 3i69 h MET 108 CO 0.05 0.95 -0.46 -0.11 1.06 0.00 0.00 176.91 178.40 3i69 n LEU 109 N -3.62 -0.82 0.11 1.22 7.94 -0.60 -0.78 117.00 120.45 3i69 n LEU 109 Ca -0.03 1.53 0.11 0.00 -1.11 0.00 0.00 56.01 56.51 3i69 n LEU 109 Cb 0.82 -0.24 0.46 0.00 0.53 0.00 0.00 43.42 45.00 3i69 n LEU 109 CO 0.48 -1.28 0.84 -2.65 -1.11 0.00 0.00 177.39 173.67 3i69 n PRO 110 N -5.13 0.17 0.00 1.96 -0.02 -1.26 -1.16 135.00 129.56 3i69 n PRO 110 Ca 0.04 0.38 0.14 0.00 -2.02 0.00 0.00 63.50 62.04 3i69 n PRO 110 Cb 0.26 -1.81 0.56 0.00 -0.02 0.00 0.00 33.50 32.49 3i69 n PRO 110 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i69 n PHE 111 N -2.12 0.00 -2.10 6.00 3.01 0.04 -4.92 117.46 117.37 3i69 n PHE 111 Ca 0.03 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.12 3i69 n PHE 111 Cb 0.23 -0.11 0.01 0.00 -0.01 0.00 0.00 39.48 39.60 3i69 n PHE 111 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i69 s PRO 113 N -2.95 3.40 0.56 0.00 0.04 -1.26 -4.87 135.00 129.93 3i69 s PRO 113 Ca 0.69 2.24 0.26 0.00 0.04 0.00 0.00 61.00 64.24 3i69 s PRO 113 Cb -0.31 -2.41 1.56 0.00 0.04 0.00 0.00 34.50 33.37 3i69 s PRO 113 CO 0.36 -0.99 2.11 -1.35 0.04 0.00 0.00 177.00 177.18 3i69 h PRO 114 N 1.83 0.00 -0.56 0.56 0.11 -1.97 -1.62 132.00 130.35 3i69 h PRO 114 Ca -0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.60 3i69 h PRO 114 Cb 1.28 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3i69 h PRO 114 CO 0.59 0.00 0.34 1.49 -0.21 0.00 0.00 178.00 180.21 3i69 h GLU 115 N 0.00 0.75 -0.02 1.05 4.22 -2.04 -3.20 114.58 115.35 3i69 h GLU 115 Ca 0.08 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.46 3i69 h GLU 115 Cb 0.41 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3i69 h GLU 115 CO -0.00 0.54 -0.09 0.39 -2.18 0.00 0.00 179.01 177.66 3i69 n GLU 116 N -4.66 1.57 -0.32 1.92 1.02 -0.62 -4.48 120.64 115.08 3i69 n GLU 116 Ca 0.03 -1.05 -0.04 0.00 -0.02 0.00 0.00 57.16 56.08 3i69 n GLU 116 Cb 0.05 -1.48 0.08 0.00 -0.02 0.00 0.00 31.44 30.07 3i69 n GLU 116 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3i69 h LYS 117 N 2.56 1.22 -0.64 3.49 1.57 -1.53 -2.57 116.57 120.68 3i69 h LYS 117 Ca 0.00 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.53 3i69 h LYS 117 Cb 0.62 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 3i69 h LYS 117 CO 0.00 0.92 0.05 -0.44 -0.57 0.00 0.00 179.45 179.40 3i69 h ASP 118 N 1.22 1.06 -0.64 0.86 3.32 -1.80 0.25 116.42 120.69 3i69 h ASP 118 Ca 0.30 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 3i69 h ASP 118 Cb 0.07 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 3i69 h ASP 118 CO -0.04 1.09 0.06 0.00 -1.72 0.00 0.00 179.24 178.62 3i69 h ALA 119 N 1.02 0.86 -0.25 3.45 0.00 -1.81 -0.46 119.26 122.07 3i69 h ALA 119 Ca 0.19 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.67 3i69 h ALA 119 Cb 0.51 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3i69 h ALA 119 CO 0.02 0.66 -0.38 -0.22 0.00 0.00 0.00 179.25 179.34 3i69 h LYS 120 N 1.01 0.70 -0.67 0.00 1.63 -1.31 -1.55 116.57 116.38 3i69 h LYS 120 Ca 0.19 -0.42 -0.04 0.00 -0.85 0.00 0.00 60.65 59.54 3i69 h LYS 120 Cb 0.50 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.13 3i69 h LYS 120 CO 0.02 1.04 0.26 1.25 -3.45 0.00 0.00 179.45 178.57 3i69 h LEU 121 N 0.43 0.90 -0.23 5.20 5.85 -0.35 -0.96 115.31 126.15 3i69 h LEU 121 Ca 0.02 -0.13 -0.21 0.00 0.84 0.00 0.00 57.88 58.41 3i69 h LEU 121 Cb 0.97 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.77 3i69 h LEU 121 CO 0.09 0.81 -0.69 0.00 -0.34 0.00 0.00 178.44 178.30 3i69 h ALA 122 N 1.32 0.39 -0.79 1.25 0.00 -1.09 -2.17 119.26 118.17 3i69 h ALA 122 Ca 0.23 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.63 3i69 h ALA 122 Cb 0.19 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 3i69 h ALA 122 CO -0.02 0.69 0.47 1.25 0.00 0.00 0.00 179.25 181.63 3i69 h LEU 123 N 0.57 0.71 -0.31 0.00 5.85 -1.05 -0.76 115.31 120.32 3i69 h LEU 123 Ca -0.03 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3i69 h LEU 123 Cb 1.31 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3i69 h LEU 123 CO 0.15 0.44 0.01 0.40 -0.34 0.00 0.00 178.44 179.10 3i69 h ILE 124 N 0.84 1.25 -0.76 4.05 2.04 -1.08 -1.83 117.51 122.02 3i69 h ILE 124 Ca 0.36 -0.92 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 3i69 h ILE 124 Cb 0.22 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 3i69 h ILE 124 CO -0.19 0.30 0.29 0.11 0.00 0.00 0.00 178.15 178.65 3i69 h LYS 125 N 0.34 1.16 -0.56 2.37 1.57 -1.18 -0.37 116.57 119.89 3i69 h LYS 125 Ca 0.09 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 3i69 h LYS 125 Cb 0.42 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3i69 h LYS 125 CO 0.01 0.95 0.29 1.49 -0.57 0.00 0.00 179.45 181.62 3i69 h GLU 126 N 1.12 0.79 -0.00 3.15 4.22 -1.04 -0.88 114.58 121.93 3i69 h GLU 126 Ca 0.25 -0.10 -0.11 0.00 0.08 0.00 0.00 59.36 59.48 3i69 h GLU 126 Cb 0.24 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 3i69 h GLU 126 CO -0.02 0.62 -0.53 0.87 -2.18 0.00 0.00 179.01 177.77 3i69 h LYS 127 N 0.75 0.01 0.02 1.92 1.79 -0.98 -1.43 116.57 118.65 3i69 h LYS 127 Ca 0.19 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.66 3i69 h LYS 127 Cb 0.08 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 3i69 h LYS 127 CO -0.03 0.54 -0.01 0.82 -1.08 0.00 0.00 179.45 179.69 3i69 h ILE 128 N 0.01 1.37 -0.33 1.86 2.04 -0.79 -1.71 117.51 119.96 3i69 h ILE 128 Ca -0.00 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.56 3i69 h ILE 128 Cb 0.95 2.18 -0.02 0.00 -0.74 0.00 0.00 36.82 39.19 3i69 h ILE 128 CO 0.07 0.31 -0.13 0.50 0.00 0.00 0.00 178.15 178.90 3i69 h LYS 129 N -0.56 0.57 0.00 2.37 3.64 -1.11 -1.77 116.57 119.72 3i69 h LYS 129 Ca -0.00 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3i69 h LYS 129 Cb 0.53 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3i69 h LYS 129 CO 0.00 0.69 -1.08 0.09 -2.27 0.00 0.00 179.45 176.88 3i69 n ASN 130 N -4.18 1.76 0.04 4.20 3.02 -0.55 -4.62 115.26 114.92 3i69 n ASN 130 Ca 0.01 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 3i69 n ASN 130 Cb 0.34 1.29 0.00 0.00 -0.61 0.00 0.00 39.78 40.80 3i69 n ASN 130 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3i69 n ARG 131 N -1.62 0.00 -0.01 3.52 0.63 -0.95 -4.82 116.66 113.41 3i69 n ARG 131 Ca -0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 3i69 n ARG 131 Cb 0.23 -0.32 -0.10 0.00 0.45 0.00 0.00 32.46 32.72 3i69 n ARG 131 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3i69 h TYR 132 N 0.00 -0.07 -0.58 -0.14 0.05 -1.38 -2.63 116.97 112.23 3i69 h TYR 132 Ca 0.00 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3i69 h TYR 132 Cb 0.00 0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.73 3i69 h TYR 132 CO 0.00 0.54 0.31 0.74 -1.05 0.00 0.00 178.16 178.70 3i69 h PHE 133 N -0.80 0.78 -0.22 4.88 -1.00 -1.57 -2.31 116.94 116.69 3i69 h PHE 133 Ca -0.01 -0.01 -0.05 0.00 2.81 0.00 0.00 57.97 60.71 3i69 h PHE 133 Cb 0.64 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 3i69 h PHE 133 CO 0.15 0.55 -0.05 -1.35 -1.61 0.00 0.00 178.31 175.99 3i69 h PRO 134 N 0.80 0.42 -0.61 1.51 0.11 -1.78 -0.81 132.00 131.63 3i69 h PRO 134 Ca 0.20 -0.16 0.12 0.00 0.11 0.00 0.00 66.00 66.28 3i69 h PRO 134 Cb 0.03 -0.02 -0.10 0.00 0.11 0.00 0.00 31.00 31.02 3i69 h PRO 134 CO -0.03 0.66 0.06 0.00 -0.21 0.00 0.00 178.00 178.47 3i69 h ALA 135 N 0.75 0.66 0.03 -0.75 0.00 -1.18 0.55 119.26 119.32 3i69 h ALA 135 Ca 0.06 0.17 -0.25 0.00 0.00 0.00 0.00 54.91 54.88 3i69 h ALA 135 Cb 0.50 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.57 3i69 h ALA 135 CO 0.02 -0.36 -1.04 0.74 0.00 0.00 0.00 179.25 178.61 3i69 h PHE 136 N 0.17 0.74 -0.41 0.00 0.04 -1.43 -2.37 116.94 113.68 3i69 h PHE 136 Ca 0.32 -0.43 0.00 0.00 2.80 0.00 0.00 57.97 60.67 3i69 h PHE 136 Cb 0.51 -0.08 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 3i69 h PHE 136 CO -0.31 1.26 0.27 1.49 -0.60 0.00 0.00 178.31 180.42 3i69 h GLU 137 N 0.26 0.54 -0.03 1.51 4.57 -0.71 -2.43 114.58 118.30 3i69 h GLU 137 Ca -0.11 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 57.85 3i69 h GLU 137 Cb 1.69 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 30.15 3i69 h GLU 137 CO 0.19 0.36 -0.78 -0.22 -1.18 0.00 0.00 179.01 177.37 3i69 h LYS 138 N 0.56 0.24 -0.30 1.92 3.64 0.33 -1.79 116.57 121.16 3i69 h LYS 138 Ca 0.15 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 3i69 h LYS 138 Cb -0.06 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 3i69 h LYS 138 CO -0.03 0.91 -0.01 0.28 -2.27 0.00 0.00 179.45 178.32 3i69 h VAL 139 N 0.15 1.26 -0.25 2.00 2.07 -1.30 0.97 116.25 121.16 3i69 h VAL 139 Ca -0.03 -0.98 -0.06 0.00 0.82 0.00 0.00 66.70 66.45 3i69 h VAL 139 Cb 1.37 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 3i69 h VAL 139 CO 0.12 0.32 -0.10 -0.07 0.02 0.00 0.00 177.57 177.86 3i69 h LEU 140 N 0.33 0.39 0.00 2.57 3.38 -1.31 -2.64 115.31 118.04 3i69 h LEU 140 Ca 0.08 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3i69 h LEU 140 Cb 0.46 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 3i69 h LEU 140 CO 0.02 0.53 -0.89 0.50 0.09 0.00 0.00 178.44 178.69 3i69 h LYS 141 N 0.39 0.00 0.69 1.13 3.64 -1.29 -1.43 116.57 119.69 3i69 h LYS 141 Ca 0.08 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3i69 h LYS 141 Cb 0.41 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.23 3i69 h LYS 141 CO 0.02 0.16 -0.41 0.66 -2.27 0.00 0.00 179.45 177.61 3i69 h SER 142 N 0.00 -1.04 0.92 4.20 4.64 -0.42 -3.32 113.55 118.53 3i69 h SER 142 Ca -0.05 0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3i69 h SER 142 Cb 1.23 0.30 -0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3i69 h SER 142 CO 0.02 -0.64 -1.09 0.00 -0.87 0.00 0.00 176.83 174.25 3i69 n HIS 143 N -5.02 0.92 -1.12 4.77 1.44 -1.16 -4.99 115.22 110.04 3i69 n HIS 143 Ca -0.13 0.27 -0.04 0.00 -2.01 0.00 0.00 57.72 55.81 3i69 n HIS 143 Cb 0.43 -0.94 -0.02 0.00 0.12 0.00 0.00 29.99 29.57 3i69 n HIS 143 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3i69 n GLY 144 N 1.20 0.68 3.92 -1.39 0.00 -0.54 -5.03 105.19 104.03 3i69 n GLY 144 Ca -0.01 -0.40 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 3i69 n GLY 144 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i69 s GLN 145 N -1.79 3.53 0.19 1.61 -0.21 -1.25 -5.01 119.66 116.73 3i69 s GLN 145 Ca 0.00 -0.01 0.21 0.00 0.02 0.00 0.00 55.36 55.59 3i69 s GLN 145 Cb 0.00 -2.50 0.89 0.00 1.00 0.00 0.00 33.01 32.40 3i69 s GLN 145 CO 0.00 -0.04 1.65 -0.25 -2.12 0.00 0.00 175.29 174.53 3i69 n ASP 146 N -1.98 0.50 -4.26 5.90 8.00 -1.26 -4.80 116.55 118.65 3i69 n ASP 146 Ca -0.02 0.62 -0.20 0.00 0.71 0.00 0.00 54.79 55.90 3i69 n ASP 146 Cb 0.55 -0.73 -0.12 0.00 -0.02 0.00 0.00 41.12 40.81 3i69 n ASP 146 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i69 s TYR 147 N -3.23 1.54 0.10 1.24 2.02 -1.26 -4.90 117.35 112.86 3i69 s TYR 147 Ca 0.05 -0.49 -0.26 0.00 -0.37 0.00 0.00 57.07 56.00 3i69 s TYR 147 Cb 0.10 -0.82 -0.12 0.00 -0.40 0.00 0.00 41.96 40.72 3i69 s TYR 147 CO 0.37 0.18 1.68 -0.07 -1.57 0.00 0.00 175.55 176.14 3i69 h LEU 148 N 3.75 -0.41 -7.73 -1.29 3.38 -1.87 -3.41 115.31 107.73 3i69 h LEU 148 Ca -0.42 0.04 -0.42 0.00 0.09 0.00 0.00 57.88 57.17 3i69 h LEU 148 Cb 1.19 0.14 -0.34 0.00 0.09 0.00 0.00 40.66 41.74 3i69 h LEU 148 CO 0.46 -0.24 -0.77 -0.69 0.09 0.00 0.00 178.44 177.29 3i69 s VAL 149 N -6.13 0.55 0.00 1.22 1.01 -1.26 -4.87 120.40 110.92 3i69 s VAL 149 Ca -0.15 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3i69 s VAL 149 Cb 0.06 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3i69 s VAL 149 CO 0.65 0.23 0.00 0.61 0.00 0.00 0.00 175.10 176.59 3i69 n GLY 150 N 4.14 0.75 2.36 4.51 0.00 -1.26 -3.86 105.19 111.81 3i69 n GLY 150 Ca -0.23 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 3i69 n GLY 150 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i69 n ASN 151 N 0.00 -4.71 -3.73 1.61 5.15 -1.26 -4.95 115.26 107.36 3i69 n ASN 151 Ca 0.00 0.26 -0.11 0.00 -0.60 0.00 0.00 54.58 54.13 3i69 n ASN 151 Cb 0.00 -4.11 -0.07 0.00 -0.53 0.00 0.00 39.78 35.08 3i69 n ASN 151 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 3i69 s LYS 152 N -4.20 0.88 0.32 1.20 -2.85 -1.25 -4.83 119.74 109.01 3i69 s LYS 152 Ca 0.00 -0.59 -0.28 0.00 -1.00 0.00 0.00 55.97 54.11 3i69 s LYS 152 Cb 0.00 0.38 -0.13 0.00 -2.06 0.00 0.00 37.83 36.02 3i69 s LYS 152 CO 0.00 -0.30 1.13 -0.11 0.10 0.00 0.00 175.35 176.17 3i69 n LEU 153 N 0.32 2.63 -4.07 2.77 7.94 -1.26 -4.59 117.00 120.74 3i69 n LEU 153 Ca -0.18 1.18 -0.15 0.00 -1.11 0.00 0.00 56.01 55.76 3i69 n LEU 153 Cb 0.61 -1.38 -0.03 0.00 0.53 0.00 0.00 43.42 43.15 3i69 n LEU 153 CO 0.20 -1.00 0.19 -0.94 -1.11 0.00 0.00 177.39 174.73 3i69 s SER 154 N -0.46 0.99 0.60 1.96 1.04 -1.26 -4.89 113.70 111.68 3i69 s SER 154 Ca 0.57 -1.53 0.34 0.00 0.48 0.00 0.00 55.95 55.82 3i69 s SER 154 Cb -0.63 0.70 1.93 0.00 0.10 0.00 0.00 66.02 68.12 3i69 s SER 154 CO 0.61 -1.38 2.25 0.08 0.98 0.00 0.00 173.24 175.79 3i69 h ARG 155 N 2.06 0.00 -0.42 4.02 0.11 -1.90 -2.53 114.38 115.73 3i69 h ARG 155 Ca -0.29 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.83 3i69 h ARG 155 Cb 1.24 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.28 3i69 h ARG 155 CO 0.39 0.02 0.20 0.00 0.10 0.00 0.00 179.97 180.68 3i69 h ALA 156 N 1.98 0.52 -0.17 0.08 0.00 -1.89 -0.48 119.26 119.30 3i69 h ALA 156 Ca -0.00 0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 3i69 h ALA 156 Cb 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3i69 h ALA 156 CO 0.00 -0.15 -0.42 -0.44 0.00 0.00 0.00 179.25 178.23 3i69 h ASP 157 N 0.41 0.43 -0.12 0.00 3.32 -1.86 -1.70 116.42 116.90 3i69 h ASP 157 Ca 0.18 -0.19 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 3i69 h ASP 157 Cb 0.09 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.53 3i69 h ASP 157 CO -0.13 0.80 -0.77 0.40 -1.72 0.00 0.00 179.24 177.82 3i69 h ILE 158 N 0.33 1.29 -0.17 0.35 1.08 -1.47 -1.88 117.51 117.05 3i69 h ILE 158 Ca 0.03 -1.99 -0.15 0.00 -0.39 0.00 0.00 64.86 62.35 3i69 h ILE 158 Cb 0.89 2.09 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 3i69 h ILE 158 CO 0.07 0.62 -0.54 0.45 -0.69 0.00 0.00 178.15 178.07 3i69 h HIS 159 N 0.44 0.63 -0.08 1.37 3.86 -1.01 -2.24 115.15 118.12 3i69 h HIS 159 Ca -0.06 -0.22 -0.10 0.00 -1.16 0.00 0.00 60.37 58.83 3i69 h HIS 159 Cb 1.41 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.77 3i69 h HIS 159 CO 0.10 0.93 -0.34 1.25 0.86 0.00 0.00 177.93 180.72 3i69 h LEU 160 N 0.39 0.44 -1.69 2.43 5.85 -1.39 -2.76 115.31 118.58 3i69 h LEU 160 Ca 0.01 -0.64 -0.03 0.00 0.84 0.00 0.00 57.88 58.06 3i69 h LEU 160 Cb 1.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3i69 h LEU 160 CO 0.10 1.00 -0.08 0.58 -0.34 0.00 0.00 178.44 179.70 3i69 h VAL 161 N -0.10 1.10 0.47 1.05 2.07 -1.34 0.13 116.25 119.63 3i69 h VAL 161 Ca -0.02 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.03 3i69 h VAL 161 Cb 0.99 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3i69 h VAL 161 CO 0.07 0.14 -0.23 -0.08 0.02 0.00 0.00 177.57 177.49 3i69 h GLU 162 N 0.09 -0.61 -0.90 1.57 4.81 -1.42 -2.37 114.58 115.75 3i69 h GLU 162 Ca 0.02 0.04 0.21 0.00 -0.13 0.00 0.00 59.36 59.50 3i69 h GLU 162 Cb 0.21 0.14 -0.12 0.00 0.63 0.00 0.00 28.75 29.61 3i69 h GLU 162 CO 0.01 -0.31 0.43 1.25 -0.73 0.00 0.00 179.01 179.66 3i69 h LEU 163 N -0.87 0.42 -1.35 1.64 5.85 -1.09 0.09 115.31 120.00 3i69 h LEU 163 Ca -0.06 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3i69 h LEU 163 Cb 0.58 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 3i69 h LEU 163 CO 0.11 0.06 0.46 -0.07 -0.34 0.00 0.00 178.44 178.66 3i69 h LEU 164 N 0.47 0.74 -0.86 2.25 3.38 -0.59 0.19 115.31 120.90 3i69 h LEU 164 Ca 0.55 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.42 3i69 h LEU 164 Cb 0.98 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 3i69 h LEU 164 CO -0.48 0.52 -0.05 1.88 0.09 0.00 0.00 178.44 180.40 3i69 h TYR 165 N 0.87 0.86 -0.27 1.13 0.05 -0.45 -1.24 116.97 117.91 3i69 h TYR 165 Ca 0.27 -0.14 -0.12 0.00 0.05 0.00 0.00 58.73 58.79 3i69 h TYR 165 Cb 0.00 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 37.51 3i69 h TYR 165 CO -0.00 0.82 -0.29 1.88 -1.05 0.00 0.00 178.16 179.51 3i69 h TYR 166 N 0.73 0.82 -0.82 4.88 0.05 -0.77 -1.40 116.97 120.45 3i69 h TYR 166 Ca 0.13 -0.25 0.06 0.00 0.05 0.00 0.00 58.73 58.72 3i69 h TYR 166 Cb 0.52 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 38.03 3i69 h TYR 166 CO 0.03 0.99 0.54 0.28 -1.05 0.00 0.00 178.16 178.95 3i69 h VAL 167 N 0.41 1.06 -0.54 -2.88 2.07 -0.67 -1.85 116.25 113.85 3i69 h VAL 167 Ca 0.04 -0.32 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 3i69 h VAL 167 Cb 0.86 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3i69 h VAL 167 CO 0.07 0.17 0.06 -0.08 0.02 0.00 0.00 177.57 177.81 3i69 h GLU 168 N 0.93 0.88 0.00 1.57 4.81 -0.84 -0.68 114.58 121.25 3i69 h GLU 168 Ca 0.35 -0.22 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 3i69 h GLU 168 Cb 0.18 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 3i69 h GLU 168 CO -0.12 0.84 -0.13 0.93 -0.73 0.00 0.00 179.01 179.80 3i69 h GLU 169 N 0.83 0.00 0.00 1.92 5.08 -0.46 -3.23 114.58 118.71 3i69 h GLU 169 Ca 0.17 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.36 3i69 h GLU 169 Cb 0.40 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 3i69 h GLU 169 CO 0.01 0.13 -1.03 1.25 -1.00 0.00 0.00 179.01 178.37 3i69 h LEU 170 N 0.00 0.00 -6.00 1.33 6.46 -0.86 -3.47 115.31 112.78 3i69 h LEU 170 Ca -0.00 -0.42 0.10 0.00 -0.12 0.00 0.00 57.88 57.44 3i69 h LEU 170 Cb 0.55 0.00 -0.21 0.00 -0.73 0.00 0.00 40.66 40.28 3i69 h LEU 170 CO 0.02 1.31 -0.23 -0.62 -0.62 0.00 0.00 178.44 178.29 3i69 s ASP 171 N -6.58 -1.26 0.00 1.25 2.15 -0.31 -5.05 116.67 106.86 3i69 s ASP 171 Ca -0.25 0.51 0.22 0.00 0.43 0.00 0.00 52.55 53.45 3i69 s ASP 171 Cb 0.05 1.95 1.28 0.00 -0.30 0.00 0.00 42.92 45.89 3i69 s ASP 171 CO 0.51 -0.23 1.66 -1.54 -0.17 0.00 0.00 175.17 175.40 3i69 n SER 172 N 5.41 0.00 -0.34 -0.34 3.41 -1.22 -2.44 113.62 118.10 3i69 n SER 172 Ca 0.01 -0.67 0.11 0.00 -0.26 0.00 0.00 58.87 58.07 3i69 n SER 172 Cb 0.53 -0.00 0.09 0.00 -0.26 0.00 0.00 64.21 64.57 3i69 n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3i69 n SER 173 N -1.00 1.56 0.13 4.04 3.41 -1.26 -4.44 113.62 116.06 3i69 n SER 173 Ca 0.16 -1.22 -0.01 0.00 -0.26 0.00 0.00 58.87 57.54 3i69 n SER 173 Cb 0.07 0.45 0.21 0.00 -0.26 0.00 0.00 64.21 64.69 3i69 n SER 173 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i69 h LEU 174 N 1.66 0.09 -0.02 1.04 3.38 -1.82 -2.78 115.31 116.86 3i69 h LEU 174 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i69 h LEU 174 Cb 0.65 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3i69 h LEU 174 CO 0.00 0.61 -0.28 0.00 0.09 0.00 0.00 178.44 178.86 3i69 n ILE 175 N -3.91 0.00 -0.21 1.22 3.06 -1.26 -4.36 119.36 113.91 3i69 n ILE 175 Ca -0.02 -0.00 0.07 0.00 -2.50 0.00 0.00 62.75 60.30 3i69 n ILE 175 Cb 0.55 -0.06 0.35 0.00 0.54 0.00 0.00 39.64 41.02 3i69 n ILE 175 CO 0.00 0.00 0.00 0.77 -2.50 0.00 0.00 176.55 174.82 3i69 h SER 176 N 0.04 0.67 0.54 9.51 4.64 -1.74 -1.32 113.55 125.89 3i69 h SER 176 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3i69 h SER 176 Cb 0.49 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3i69 h SER 176 CO 0.00 0.42 0.00 -0.24 -0.87 0.00 0.00 176.83 176.14 3i69 n SER 177 N -4.49 0.00 -3.88 4.97 2.88 -1.26 -4.54 113.62 107.29 3i69 n SER 177 Ca 0.12 -0.17 -0.28 0.00 -1.33 0.00 0.00 58.87 57.21 3i69 n SER 177 Cb 0.28 -0.27 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 3i69 n SER 177 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3i69 s PHE 178 N -2.55 3.43 0.36 0.66 0.08 -0.50 -4.98 117.98 114.49 3i69 s PHE 178 Ca 0.29 -3.28 0.03 0.00 0.12 0.00 0.00 56.93 54.09 3i69 s PHE 178 Cb 0.20 -2.63 0.67 0.00 -0.57 0.00 0.00 43.02 40.69 3i69 s PHE 178 CO 0.45 -0.57 1.99 -1.00 -0.10 0.00 0.00 175.22 175.99 3i69 h PRO 179 N 5.48 0.73 0.00 0.24 0.13 -1.80 -1.93 132.00 134.85 3i69 h PRO 179 Ca 0.14 -0.06 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 3i69 h PRO 179 Cb 0.77 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 3i69 h PRO 179 CO 0.70 0.52 -0.11 -0.07 -0.23 0.00 0.00 178.00 178.81 3i69 h LEU 180 N 0.74 0.00 0.11 1.56 3.38 -1.94 -2.64 115.31 116.53 3i69 h LEU 180 Ca 0.19 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.88 3i69 h LEU 180 Cb -0.02 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.75 3i69 h LEU 180 CO -0.04 0.11 -1.25 -0.07 0.09 0.00 0.00 178.44 177.28 3i69 h LEU 181 N 0.00 0.63 -0.56 1.67 3.38 -1.72 -2.88 115.31 115.83 3i69 h LEU 181 Ca -0.00 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.33 3i69 h LEU 181 Cb 0.58 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3i69 h LEU 181 CO 0.01 1.47 0.30 0.11 0.09 0.00 0.00 178.44 180.43 3i69 h LYS 182 N 0.16 0.78 -0.83 1.13 1.57 -1.36 -0.65 116.57 117.36 3i69 h LYS 182 Ca -0.17 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 3i69 h LYS 182 Cb 1.95 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 34.07 3i69 h LYS 182 CO 0.22 0.61 0.40 0.00 -0.57 0.00 0.00 179.45 180.11 3i69 h ALA 183 N 1.13 1.14 -0.24 3.86 0.00 -1.56 -1.79 119.26 121.80 3i69 h ALA 183 Ca 0.20 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3i69 h ALA 183 Cb 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3i69 h ALA 183 CO -0.03 0.65 -0.36 1.25 0.00 0.00 0.00 179.25 180.76 3i69 h LEU 184 N 1.19 0.55 -0.28 0.00 5.85 -1.23 0.40 115.31 121.79 3i69 h LEU 184 Ca 0.29 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 3i69 h LEU 184 Cb 0.11 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3i69 h LEU 184 CO -0.04 0.86 0.17 0.50 -0.34 0.00 0.00 178.44 179.60 3i69 h LYS 185 N 0.44 0.38 0.24 1.25 3.64 -0.87 -1.56 116.57 120.09 3i69 h LYS 185 Ca 0.05 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3i69 h LYS 185 Cb 0.84 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3i69 h LYS 185 CO 0.07 0.28 -0.11 1.15 -2.27 0.00 0.00 179.45 178.57 3i69 h THR 186 N 0.36 0.83 -0.95 1.00 2.02 -0.89 -0.79 112.91 114.48 3i69 h THR 186 Ca 0.10 -0.54 0.08 0.00 0.77 0.00 0.00 66.41 66.82 3i69 h THR 186 Cb -0.00 1.13 -0.07 0.00 -1.74 0.00 0.00 68.15 67.47 3i69 h THR 186 CO -0.02 0.12 0.62 -0.09 0.37 0.00 0.00 175.52 176.51 3i69 h ARG 187 N -0.60 1.03 -0.04 6.66 2.43 -0.21 -1.01 114.38 122.64 3i69 h ARG 187 Ca -0.03 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.95 3i69 h ARG 187 Cb 0.44 -0.23 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3i69 h ARG 187 CO 0.05 0.68 -0.49 0.82 -1.51 0.00 0.00 179.97 179.53 3i69 h ILE 188 N 1.06 1.43 -0.49 1.20 1.08 -1.30 -3.21 117.51 117.27 3i69 h ILE 188 Ca 0.42 -1.94 0.03 0.00 -0.39 0.00 0.00 64.86 62.98 3i69 h ILE 188 Cb 0.26 2.48 -0.03 0.00 -3.07 0.00 0.00 36.82 36.46 3i69 h ILE 188 CO -0.17 0.56 0.33 0.28 -0.69 0.00 0.00 178.15 178.46 3i69 h SER 189 N -0.11 0.48 0.68 1.72 0.02 -0.79 -1.93 113.55 113.61 3i69 h SER 189 Ca -0.05 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3i69 h SER 189 Cb 1.18 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3i69 h SER 189 CO 0.10 0.33 -0.01 0.59 -1.14 0.00 0.00 176.83 176.70 3i69 n ASN 190 N -4.47 0.01 -4.75 3.07 3.02 -0.41 -2.63 115.26 109.10 3i69 n ASN 190 Ca 0.06 0.02 -0.41 0.00 -0.03 0.00 0.00 54.58 54.21 3i69 n ASN 190 Cb 0.14 -0.33 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3i69 n ASN 190 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i69 s LEU 191 N -2.68 4.38 0.26 3.41 1.43 -0.73 -4.83 118.68 119.93 3i69 s LEU 191 Ca 0.25 2.72 -0.04 0.00 -1.03 0.00 0.00 54.13 56.03 3i69 s LEU 191 Cb 0.20 -3.63 0.53 0.00 0.03 0.00 0.00 46.19 43.32 3i69 s LEU 191 CO 0.48 -0.73 1.63 -0.65 0.23 0.00 0.00 176.35 177.31 3i69 h PRO 192 N 4.89 0.11 0.00 1.29 0.11 -1.88 -0.72 132.00 135.79 3i69 h PRO 192 Ca -0.46 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 3i69 h PRO 192 Cb 1.22 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3i69 h PRO 192 CO 0.77 0.07 -0.68 1.79 -0.21 0.00 0.00 178.00 179.74 3i69 h THR 193 N 0.11 1.29 0.05 -1.15 1.35 -1.90 -2.24 112.91 110.43 3i69 h THR 193 Ca 0.47 -2.49 -0.23 0.00 -0.55 0.00 0.00 66.41 63.60 3i69 h THR 193 Cb 0.86 2.42 -0.01 0.00 -1.73 0.00 0.00 68.15 69.69 3i69 h THR 193 CO -0.71 0.66 -1.08 0.58 -0.25 0.00 0.00 175.52 174.73 3i69 h VAL 194 N 0.00 1.59 -0.68 6.82 2.07 -1.68 -3.14 116.25 121.23 3i69 h VAL 194 Ca -0.01 -3.14 0.00 0.00 0.82 0.00 0.00 66.70 64.38 3i69 h VAL 194 Cb 1.37 2.82 -0.03 0.00 -1.52 0.00 0.00 31.29 33.93 3i69 h VAL 194 CO 0.09 0.91 0.43 0.50 0.02 0.00 0.00 177.57 179.51 3i69 h LYS 195 N 0.05 0.92 -0.65 1.57 3.64 -0.91 -1.69 116.57 119.51 3i69 h LYS 195 Ca -0.07 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3i69 h LYS 195 Cb 1.81 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 33.40 3i69 h LYS 195 CO 0.16 0.64 0.39 -0.22 -2.27 0.00 0.00 179.45 178.14 3i69 h LYS 196 N 0.93 0.88 0.00 1.90 3.64 -1.49 -2.85 116.57 119.58 3i69 h LYS 196 Ca 0.25 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.50 3i69 h LYS 196 Cb -0.06 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.57 3i69 h LYS 196 CO -0.05 0.63 -0.21 0.35 -2.27 0.00 0.00 179.45 177.91 3i69 h PHE 197 N 0.88 0.00 -0.00 1.91 3.57 -1.45 -2.87 116.94 118.98 3i69 h PHE 197 Ca 0.23 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3i69 h PHE 197 Cb -0.02 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.72 3i69 h PHE 197 CO -0.02 0.21 -0.19 1.28 -2.23 0.00 0.00 178.31 177.36 3i69 n LEU 198 N -3.32 0.27 -4.88 0.59 4.77 -0.66 -4.47 117.00 109.30 3i69 n LEU 198 Ca 0.01 0.23 -0.30 0.00 -0.03 0.00 0.00 56.01 55.91 3i69 n LEU 198 Cb 0.45 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3i69 n LEU 198 CO 0.33 0.06 0.52 -1.10 -1.33 0.00 0.00 177.39 175.87 3i69 s GLN 199 N -2.88 3.70 0.53 3.23 -0.21 -1.09 -5.02 119.66 117.92 3i69 s GLN 199 Ca 0.16 0.50 -0.22 0.00 0.02 0.00 0.00 55.36 55.82 3i69 s GLN 199 Cb 0.19 -2.30 -0.06 0.00 1.00 0.00 0.00 33.01 31.84 3i69 s GLN 199 CO 0.57 -0.20 1.33 -0.35 -2.12 0.00 0.00 175.29 174.52 3i69 n PRO 200 N -1.85 1.71 -0.60 2.91 -0.04 -1.26 -3.00 135.00 132.87 3i69 n PRO 200 Ca 0.03 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.12 3i69 n PRO 200 Cb 0.54 -2.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3i69 n PRO 200 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i69 n GLY 201 N 0.79 0.79 3.87 0.55 0.00 -1.26 -5.06 105.19 104.87 3i69 n GLY 201 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3i69 n GLY 201 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i69 n SER 202 N 0.00 -0.26 0.00 1.61 3.41 -1.16 -4.97 113.62 112.25 3i69 n SER 202 Ca 0.00 -1.44 0.13 0.00 -0.26 0.00 0.00 58.87 57.30 3i69 n SER 202 Cb 0.00 -1.04 0.56 0.00 -0.26 0.00 0.00 64.21 63.48 3i69 n SER 202 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3i69 n PRO 203 N -4.04 0.02 -1.68 4.33 -0.02 -1.26 -4.87 135.00 127.48 3i69 n PRO 203 Ca 0.17 0.05 -0.50 0.00 -2.02 0.00 0.00 63.50 61.20 3i69 n PRO 203 Cb 0.59 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.52 3i69 n PRO 203 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3i69 n ARG 204 N -1.49 1.93 -2.94 -0.52 0.63 -1.26 -4.95 116.66 108.06 3i69 n ARG 204 Ca 0.07 0.71 -0.24 0.00 -0.92 0.00 0.00 57.85 57.46 3i69 n ARG 204 Cb 0.30 -2.50 0.01 0.00 0.45 0.00 0.00 32.46 30.72 3i69 n ARG 204 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 3i69 s LYS 205 N 3.13 3.24 0.57 -0.14 -0.14 -1.26 -5.01 119.74 120.12 3i69 s LYS 205 Ca 0.90 -0.26 -0.02 0.00 -1.36 0.00 0.00 55.97 55.23 3i69 s LYS 205 Cb -0.77 -2.51 0.02 0.00 -1.68 0.00 0.00 37.83 32.89 3i69 s LYS 205 CO 0.51 -0.21 0.83 -1.25 -0.76 0.00 0.00 175.35 174.47 3i69 s PRO 206 N -4.59 2.70 0.61 -1.68 0.04 -1.26 -4.85 135.00 125.97 3i69 s PRO 206 Ca 0.47 -0.41 -0.18 0.00 0.04 0.00 0.00 61.00 60.92 3i69 s PRO 206 Cb -0.10 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 3i69 s PRO 206 CO 0.40 -0.71 0.78 -2.30 0.04 0.00 0.00 177.00 175.21 3i69 n PRO 207 N -2.46 0.67 -2.27 0.56 -0.02 -1.26 -4.01 135.00 126.22 3i69 n PRO 207 Ca 0.05 0.27 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 3i69 n PRO 207 Cb 0.59 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 32.05 3i69 n PRO 207 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3i69 s PRO 208 N -2.59 4.37 0.30 0.52 0.04 -1.26 -4.94 135.00 131.44 3i69 s PRO 208 Ca 0.73 1.96 0.05 0.00 0.04 0.00 0.00 61.00 63.77 3i69 s PRO 208 Cb -0.41 -3.28 0.05 0.00 0.04 0.00 0.00 34.50 30.90 3i69 s PRO 208 CO 0.50 -0.35 0.41 -0.40 0.04 0.00 0.00 177.00 177.19 3i69 n ASP 209 N 3.84 1.12 -0.08 6.66 5.75 -1.26 -4.96 116.55 127.62 3i69 n ASP 209 Ca 0.10 -1.80 -0.10 0.00 -0.01 0.00 0.00 54.79 52.98 3i69 n ASP 209 Cb 0.44 -0.21 -0.04 0.00 -1.03 0.00 0.00 41.12 40.27 3i69 n ASP 209 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 3i69 h GLU 210 N 0.00 -0.35 -0.61 0.11 4.39 -1.99 -2.77 114.58 113.36 3i69 h GLU 210 Ca -0.14 0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.65 3i69 h GLU 210 Cb 0.64 0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 29.31 3i69 h GLU 210 CO 0.20 -0.23 0.29 0.82 -1.16 0.00 0.00 179.01 178.93 3i69 h ILE 211 N -0.36 0.89 -0.12 3.13 2.04 -1.99 -2.84 117.51 118.26 3i69 h ILE 211 Ca 0.12 -0.18 -0.09 0.00 1.00 0.00 0.00 64.86 65.71 3i69 h ILE 211 Cb 0.58 0.31 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3i69 h ILE 211 CO -0.50 0.10 -0.33 0.22 0.00 0.00 0.00 178.15 177.64 3i69 h TYR 212 N 0.53 0.26 -0.10 1.37 5.03 -1.88 0.45 116.97 122.63 3i69 h TYR 212 Ca 0.28 -0.06 -0.06 0.00 2.58 0.00 0.00 58.73 61.47 3i69 h TYR 212 Cb 0.25 -0.06 0.00 0.00 1.55 0.00 0.00 36.73 38.47 3i69 h TYR 212 CO -0.12 0.54 -0.19 0.28 -1.32 0.00 0.00 178.16 177.35 3i69 h VAL 213 N 0.20 1.39 -0.49 1.81 2.07 -1.32 -1.87 116.25 118.05 3i69 h VAL 213 Ca 0.03 -1.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.00 3i69 h VAL 213 Cb 0.68 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 3i69 h VAL 213 CO 0.05 0.42 0.00 -0.09 0.02 0.00 0.00 177.57 177.98 3i69 h ARG 214 N -0.14 0.86 0.00 1.57 1.12 -1.33 -2.22 114.38 114.25 3i69 h ARG 214 Ca 0.00 -0.27 -0.02 0.00 -1.11 0.00 0.00 59.98 58.58 3i69 h ARG 214 Cb 0.77 -0.08 -0.00 0.00 -0.01 0.00 0.00 29.97 30.65 3i69 h ARG 214 CO 0.04 0.90 -0.09 0.00 -3.11 0.00 0.00 179.97 177.72 3i69 h THR 215 N 0.72 0.84 0.23 0.20 1.03 -0.12 -2.55 112.91 113.27 3i69 h THR 215 Ca 0.14 -0.32 -0.01 0.00 -0.01 0.00 0.00 66.41 66.20 3i69 h THR 215 Cb 0.51 1.19 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 3i69 h THR 215 CO 0.02 0.09 -0.11 0.58 -0.01 0.00 0.00 175.52 176.09 3i69 h VAL 216 N 0.00 0.53 -1.00 0.00 2.07 -0.92 -3.30 116.25 113.63 3i69 h VAL 216 Ca -0.00 -0.95 0.21 0.00 0.82 0.00 0.00 66.70 66.78 3i69 h VAL 216 Cb 0.18 0.89 -0.11 0.00 -1.52 0.00 0.00 31.29 30.73 3i69 h VAL 216 CO 0.01 0.14 0.61 1.88 0.02 0.00 0.00 177.57 180.23 3i69 h TYR 217 N -0.96 1.03 -0.88 1.57 0.05 -1.31 0.30 116.97 116.77 3i69 h TYR 217 Ca -0.03 0.03 0.16 0.00 0.05 0.00 0.00 58.73 58.95 3i69 h TYR 217 Cb 0.47 -0.31 -0.07 0.00 1.01 0.00 0.00 36.73 37.83 3i69 h TYR 217 CO 0.05 0.18 0.57 -0.91 -1.05 0.00 0.00 178.16 177.00 3i69 h ASN 218 N 0.69 0.54 0.59 3.88 2.35 -1.54 -0.95 115.58 121.15 3i69 h ASN 218 Ca 0.60 0.04 -0.15 0.00 -0.55 0.00 0.00 56.30 56.24 3i69 h ASN 218 Cb 1.02 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 3i69 h ASN 218 CO -0.40 0.26 -0.68 0.40 -1.65 0.00 0.00 177.43 175.36 3i69 h ILE 219 N 0.56 1.46 -0.03 2.81 2.04 -1.01 -3.41 117.51 119.94 3i69 h ILE 219 Ca 0.45 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 64.05 3i69 h ILE 219 Cb 0.88 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.17 3i69 h ILE 219 CO -0.19 0.65 0.00 0.49 0.00 0.00 0.00 178.15 179.10