#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 0.25 0.07 0.00 2.02 -1.26 -5.13 118.70 114.65 3i69 s GLU 3 Ca 0.00 0.56 -0.36 0.00 0.02 0.00 0.00 54.97 55.19 3i69 s GLU 3 Cb 0.00 -0.08 -0.19 0.00 0.10 0.00 0.00 34.13 33.96 3i69 s GLU 3 CO 0.00 -0.15 0.93 1.63 0.02 0.00 0.00 175.26 177.69 3i69 n LYS 4 N 4.12 0.13 -1.68 1.61 5.02 -1.26 -4.75 118.16 121.35 3i69 n LYS 4 Ca -0.24 0.05 -0.44 0.00 -2.02 0.00 0.00 58.31 55.66 3i69 n LYS 4 Cb 0.54 -1.41 -0.02 0.00 -0.02 0.00 0.00 35.03 34.12 3i69 n LYS 4 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3i69 n PRO 5 N 1.42 2.01 -3.92 1.97 -0.02 -1.26 -4.76 135.00 130.43 3i69 n PRO 5 Ca 0.19 0.71 -0.35 0.00 -2.02 0.00 0.00 63.50 62.03 3i69 n PRO 5 Cb 0.14 -2.30 -0.14 0.00 -0.02 0.00 0.00 33.50 31.18 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 -1.19 3.35 -0.27 -0.52 2.20 -0.16 -0.39 119.74 122.76 3i69 s LYS 6 Ca 0.61 -0.64 -0.08 0.00 -0.36 0.00 0.00 55.97 55.51 3i69 s LYS 6 Cb -0.62 -2.98 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 3i69 s LYS 6 CO 0.56 -0.20 0.09 -0.51 -0.36 0.00 0.00 175.35 174.93 3i69 s LEU 7 N 1.47 3.66 -0.39 5.43 1.02 -0.77 0.36 118.68 129.46 3i69 s LEU 7 Ca 0.06 -0.39 -0.13 0.00 0.02 0.00 0.00 54.13 53.68 3i69 s LEU 7 Cb -0.14 -1.93 0.02 0.00 0.02 0.00 0.00 46.19 44.16 3i69 s LEU 7 CO -0.04 -0.10 0.26 -1.00 0.02 0.00 0.00 176.35 175.49 3i69 s HIS 8 N 1.59 3.24 0.31 0.29 3.76 -0.25 -1.60 115.29 122.61 3i69 s HIS 8 Ca 0.05 -0.68 -0.01 0.00 -0.15 0.00 0.00 55.06 54.27 3i69 s HIS 8 Cb -0.16 -2.53 0.01 0.00 1.11 0.00 0.00 32.58 31.01 3i69 s HIS 8 CO 0.04 -0.59 0.42 0.98 -0.85 0.00 0.00 174.74 174.74 3i69 n TYR 9 N 5.10 -1.30 -1.57 1.40 9.36 -1.24 -3.10 117.16 125.81 3i69 n TYR 9 Ca -0.11 -2.07 -0.29 0.00 3.32 0.00 0.00 57.90 58.74 3i69 n TYR 9 Cb 0.47 0.48 0.12 0.00 -0.63 0.00 0.00 39.34 39.78 3i69 n TYR 9 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 3i69 s PHE 10 N -3.18 2.62 -1.47 2.98 0.40 -1.26 -0.36 117.98 117.71 3i69 s PHE 10 Ca 0.26 0.91 -0.14 0.00 -0.60 0.00 0.00 56.93 57.36 3i69 s PHE 10 Cb -0.01 -3.34 0.03 0.00 0.51 0.00 0.00 43.02 40.22 3i69 s PHE 10 CO 0.18 -2.19 2.29 -1.71 0.70 0.00 0.00 175.22 174.49 3i69 n ASN 11 N -3.66 4.29 -0.88 1.36 5.15 -1.26 -4.75 115.26 115.50 3i69 n ASN 11 Ca 0.07 -2.82 0.00 0.00 -0.60 0.00 0.00 54.58 51.23 3i69 n ASN 11 Cb 0.59 -1.65 0.00 0.00 -0.53 0.00 0.00 39.78 38.19 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 4.05 1.58 0.00 8.20 0.00 -1.26 -5.02 105.19 112.74 3i69 n GLY 12 Ca 0.54 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.73 116.66 114.02 3i69 n ARG 13 Ca 0.00 0.31 0.00 0.00 -0.77 0.00 0.00 57.85 57.39 3i69 n ARG 13 Cb 0.00 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 30.51 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 1.47 1.08 0.41 -0.13 0.00 -1.26 -1.97 105.19 104.79 3i69 n GLY 14 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.23 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 6.42 1.48 -0.02 1.61 1.74 -1.26 -3.77 116.66 122.86 3i69 n ARG 15 Ca 0.00 -0.83 0.08 0.00 -0.77 0.00 0.00 57.85 56.32 3i69 n ARG 15 Cb 0.00 -1.48 -0.16 0.00 -1.02 0.00 0.00 32.46 29.79 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 -0.03 0.66 0.04 5.56 1.56 -0.83 -4.59 117.12 119.48 3i69 n MET 16 Ca 0.18 -0.16 0.02 0.00 -0.27 0.00 0.00 57.70 57.47 3i69 n MET 16 Cb 0.34 -1.53 0.36 0.00 2.15 0.00 0.00 33.22 34.55 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 0.43 -0.21 2.12 4.57 -1.58 -0.27 114.58 119.65 3i69 h GLU 17 Ca -0.09 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 3i69 h GLU 17 Cb 1.21 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 3i69 h GLU 17 CO 0.01 0.44 0.00 0.66 -1.18 0.00 0.00 179.01 178.94 3i69 h SER 18 N 0.43 0.28 0.37 1.04 4.64 -1.83 -0.84 113.55 117.63 3i69 h SER 18 Ca 0.10 -0.04 -0.22 0.00 -0.47 0.00 0.00 61.79 61.16 3i69 h SER 18 Cb 0.24 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3i69 h SER 18 CO 0.00 0.33 -0.95 0.74 -0.87 0.00 0.00 176.83 176.09 3i69 h THR 19 N 0.30 1.41 -0.33 2.95 2.02 -1.36 -2.45 112.91 115.46 3i69 h THR 19 Ca 0.07 -2.49 -0.09 0.00 0.77 0.00 0.00 66.41 64.67 3i69 h THR 19 Cb 0.20 2.45 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 3i69 h THR 19 CO 0.00 0.74 -0.13 0.03 0.37 0.00 0.00 175.52 176.53 3i69 h ARG 20 N 0.21 0.67 -0.23 6.66 3.08 -0.88 -1.73 114.38 122.16 3i69 h ARG 20 Ca -0.08 -0.28 0.05 0.00 0.07 0.00 0.00 59.98 59.74 3i69 h ARG 20 Cb 1.59 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 31.56 3i69 h ARG 20 CO 0.16 0.87 -0.08 -1.49 -1.07 0.00 0.00 179.97 178.36 3i69 h TRP 21 N 0.44 -0.19 -0.23 3.04 4.06 -1.21 -1.91 115.95 119.96 3i69 h TRP 21 Ca 0.08 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.01 3i69 h TRP 21 Cb 0.65 0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.92 3i69 h TRP 21 CO 0.06 -0.13 -0.02 1.25 -3.56 0.00 0.00 178.44 176.03 3i69 h LEU 22 N -0.04 0.42 0.07 -4.49 5.85 -1.42 0.96 115.31 116.66 3i69 h LEU 22 Ca 0.12 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.50 3i69 h LEU 22 Cb 0.22 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 3i69 h LEU 22 CO -0.26 0.65 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.36 3i69 h LEU 23 N 0.17 -0.16 -0.50 2.25 3.38 -1.34 -0.95 115.31 118.17 3i69 h LEU 23 Ca 0.06 0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3i69 h LEU 23 Cb 0.45 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3i69 h LEU 23 CO 0.02 -0.10 0.29 0.00 0.09 0.00 0.00 178.44 178.74 3i69 h ALA 24 N 0.78 0.64 -0.77 1.53 0.00 -1.27 0.39 119.26 120.56 3i69 h ALA 24 Ca -0.00 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3i69 h ALA 24 Cb 0.13 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3i69 h ALA 24 CO -0.01 -0.02 0.42 0.00 0.00 0.00 0.00 179.25 179.65 3i69 h ALA 25 N 1.23 1.07 0.00 0.00 0.00 -0.59 0.69 119.26 121.66 3i69 h ALA 25 Ca 0.20 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i69 h ALA 25 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i69 h ALA 25 CO -0.10 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.21 3i69 n ALA 26 N -2.38 2.45 -3.76 0.00 0.00 -0.38 -4.65 120.51 111.79 3i69 n ALA 26 Ca 0.12 -0.03 -0.28 0.00 0.00 0.00 0.00 53.44 53.24 3i69 n ALA 26 Cb 0.25 -1.09 0.03 0.00 0.00 0.00 0.00 19.45 18.65 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 0.50 -0.51 3.62 0.00 0.00 0.24 -4.97 105.19 104.07 3i69 n GLY 27 Ca 0.04 0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.26 5.12 0.29 1.61 1.01 0.02 -5.00 120.40 120.19 3i69 s VAL 28 Ca 0.61 0.10 -0.29 0.00 0.00 0.00 0.00 61.98 62.40 3i69 s VAL 28 Cb -0.30 -3.38 -0.10 0.00 0.00 0.00 0.00 36.38 32.60 3i69 s VAL 28 CO 0.75 0.36 1.13 -1.61 0.00 0.00 0.00 175.10 175.73 3i69 s GLU 29 N 1.06 4.58 0.04 2.72 2.02 -1.26 -4.25 118.70 123.62 3i69 s GLU 29 Ca 0.06 1.87 -0.00 0.00 0.02 0.00 0.00 54.97 56.92 3i69 s GLU 29 Cb -0.14 -3.15 -0.03 0.00 0.10 0.00 0.00 34.13 30.91 3i69 s GLU 29 CO 0.04 0.14 -0.04 -0.59 0.02 0.00 0.00 175.26 174.83 3i69 s PHE 30 N -1.17 0.48 0.34 1.61 -0.12 -1.26 -4.11 117.98 113.75 3i69 s PHE 30 Ca 0.45 -0.83 0.06 0.00 -0.05 0.00 0.00 56.93 56.57 3i69 s PHE 30 Cb -0.33 -0.34 -0.01 0.00 -0.63 0.00 0.00 43.02 41.71 3i69 s PHE 30 CO 0.43 -0.27 0.48 -1.21 -0.05 0.00 0.00 175.22 174.60 3i69 s GLU 31 N -2.90 3.12 -0.04 1.99 2.02 0.47 -4.98 118.70 118.38 3i69 s GLU 31 Ca -0.02 -0.98 -0.01 0.00 0.02 0.00 0.00 54.97 53.99 3i69 s GLU 31 Cb 0.00 -2.81 0.03 0.00 0.10 0.00 0.00 34.13 31.45 3i69 s GLU 31 CO -0.06 0.04 0.03 -1.21 0.02 0.00 0.00 175.26 174.09 3i69 s GLU 32 N -4.20 0.10 -0.43 1.61 2.02 -1.26 -1.84 118.70 114.71 3i69 s GLU 32 Ca 0.45 0.22 -0.11 0.00 0.02 0.00 0.00 54.97 55.56 3i69 s GLU 32 Cb -0.10 -0.49 0.07 0.00 0.10 0.00 0.00 34.13 33.72 3i69 s GLU 32 CO 0.31 -0.24 0.28 0.21 0.02 0.00 0.00 175.26 175.85 3i69 s LYS 33 N 1.57 2.70 0.55 1.61 2.20 -0.63 -4.93 119.74 122.81 3i69 s LYS 33 Ca -0.02 -1.41 -0.17 0.00 -0.36 0.00 0.00 55.97 54.01 3i69 s LYS 33 Cb -0.13 -3.85 -0.06 0.00 -1.51 0.00 0.00 37.83 32.29 3i69 s LYS 33 CO -0.03 -0.95 1.04 -0.06 -0.36 0.00 0.00 175.35 175.00 3i69 s PHE 34 N 1.48 3.04 -0.49 4.03 0.08 -1.26 -3.72 117.98 121.14 3i69 s PHE 34 Ca 0.03 1.53 -0.12 0.00 0.12 0.00 0.00 56.93 58.49 3i69 s PHE 34 Cb -0.23 -3.00 0.12 0.00 -0.57 0.00 0.00 43.02 39.33 3i69 s PHE 34 CO 0.03 -0.94 0.39 0.42 -0.10 0.00 0.00 175.22 175.02 3i69 s ILE 35 N -2.32 4.61 -0.06 0.64 1.01 0.51 -4.92 121.20 120.67 3i69 s ILE 35 Ca 0.64 -1.60 -0.01 0.00 0.00 0.00 0.00 60.65 59.68 3i69 s ILE 35 Cb -0.15 -3.96 -0.26 0.00 0.01 0.00 0.00 42.46 38.09 3i69 s ILE 35 CO 0.31 -0.76 0.59 0.11 0.00 0.00 0.00 174.94 175.19 3i69 h LYS 36 N 8.61 0.19 -5.03 2.79 1.79 -1.95 -3.39 116.57 119.58 3i69 h LYS 36 Ca -0.25 -0.33 -0.36 0.00 -2.18 0.00 0.00 60.65 57.53 3i69 h LYS 36 Cb 1.09 0.12 -0.14 0.00 -1.58 0.00 0.00 32.23 31.71 3i69 h LYS 36 CO 0.91 0.99 -0.66 -1.54 -1.08 0.00 0.00 179.45 178.07 3i69 s SER 37 N -6.77 1.69 0.36 0.86 1.04 -1.26 -5.02 113.70 104.59 3i69 s SER 37 Ca -0.14 -1.20 0.07 0.00 0.48 0.00 0.00 55.95 55.17 3i69 s SER 37 Cb 0.07 0.03 0.68 0.00 0.10 0.00 0.00 66.02 66.90 3i69 s SER 37 CO 0.81 -0.51 1.87 0.00 0.98 0.00 0.00 173.24 176.39 3i69 h ALA 38 N 2.54 1.41 -0.27 5.32 0.00 -1.90 -2.48 119.26 123.88 3i69 h ALA 38 Ca -0.38 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.33 3i69 h ALA 38 Cb 1.22 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3i69 h ALA 38 CO 0.64 0.41 0.09 0.93 0.00 0.00 0.00 179.25 181.31 3i69 h GLU 39 N 0.31 0.20 -0.90 0.00 3.07 -1.97 0.40 114.58 115.68 3i69 h GLU 39 Ca 0.06 -0.01 0.18 0.00 -0.50 0.00 0.00 59.36 59.08 3i69 h GLU 39 Cb 0.42 -0.04 -0.10 0.00 -0.84 0.00 0.00 28.75 28.19 3i69 h GLU 39 CO 0.02 0.13 0.48 -0.44 -1.40 0.00 0.00 179.01 177.80 3i69 h ASP 40 N 0.20 0.56 -0.05 1.42 3.32 -1.86 0.48 116.42 120.49 3i69 h ASP 40 Ca 0.12 0.11 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 3i69 h ASP 40 Cb 0.09 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3i69 h ASP 40 CO -0.13 0.19 -0.21 0.25 -1.72 0.00 0.00 179.24 177.62 3i69 h LEU 41 N 0.62 0.27 -1.21 1.55 5.85 -1.31 -2.45 115.31 118.63 3i69 h LEU 41 Ca 0.52 -0.64 0.06 0.00 0.84 0.00 0.00 57.88 58.66 3i69 h LEU 41 Cb 0.82 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 3i69 h LEU 41 CO -0.40 0.86 0.56 0.44 -0.34 0.00 0.00 178.44 179.56 3i69 h ASP 42 N -0.30 0.85 0.64 1.25 3.32 -0.29 -1.53 116.42 120.37 3i69 h ASP 42 Ca -0.01 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3i69 h ASP 42 Cb 0.85 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3i69 h ASP 42 CO 0.04 0.56 -0.40 0.50 -1.72 0.00 0.00 179.24 178.22 3i69 h LYS 43 N 0.98 -0.95 -0.68 3.56 1.63 0.00 0.26 116.57 121.37 3i69 h LYS 43 Ca 0.36 0.06 0.13 0.00 -0.85 0.00 0.00 60.65 60.35 3i69 h LYS 43 Cb 0.16 0.22 -0.09 0.00 -0.60 0.00 0.00 32.23 31.92 3i69 h LYS 43 CO -0.12 -0.63 0.22 -0.07 -3.45 0.00 0.00 179.45 175.39 3i69 h LEU 44 N -0.99 0.16 0.70 5.20 3.38 -1.12 0.18 115.31 122.82 3i69 h LEU 44 Ca -0.08 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3i69 h LEU 44 Cb 0.80 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3i69 h LEU 44 CO 0.08 0.07 -0.38 0.03 0.09 0.00 0.00 178.44 178.33 3i69 h ARG 45 N 0.36 -0.96 0.00 1.13 3.08 -1.15 -2.23 114.38 114.61 3i69 h ARG 45 Ca 0.36 0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.48 3i69 h ARG 45 Cb 0.54 0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.80 3i69 h ARG 45 CO -0.40 -0.64 0.00 -0.91 -1.07 0.00 0.00 179.97 176.96 3i69 h ASN 46 N -0.99 0.00 0.32 7.04 2.35 -0.55 0.35 115.58 124.10 3i69 h ASN 46 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3i69 h ASN 46 Cb 0.78 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.15 3i69 h ASN 46 CO 0.13 0.00 -0.03 0.47 -1.65 0.00 0.00 177.43 176.35 3i69 n ASP 47 N -2.57 0.20 -0.40 5.81 8.00 0.02 -4.94 116.55 122.67 3i69 n ASP 47 Ca -0.00 -0.57 -0.05 0.00 0.71 0.00 0.00 54.79 54.87 3i69 n ASP 47 Cb 0.16 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 3i69 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i69 n GLY 48 N 1.20 0.75 0.18 0.44 0.00 0.12 -4.95 105.19 102.93 3i69 n GLY 48 Ca 0.17 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.47 3i69 n GLY 48 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3i69 h TYR 49 N 0.00 0.00 -3.43 1.61 -1.99 -1.55 -3.44 116.97 108.17 3i69 h TYR 49 Ca -0.11 0.00 -0.67 0.00 2.00 0.00 0.00 58.73 59.96 3i69 h TYR 49 Cb 0.36 0.00 -0.30 0.00 2.00 0.00 0.00 36.73 38.79 3i69 h TYR 49 CO 0.14 0.08 -0.74 -0.51 -0.00 0.00 0.00 178.16 177.13 3i69 s LEU 50 N -5.97 3.03 0.23 3.88 1.43 -1.25 -4.91 118.68 115.10 3i69 s LEU 50 Ca 0.04 -0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 52.41 3i69 s LEU 50 Cb 0.07 -1.69 0.21 0.00 0.03 0.00 0.00 46.19 44.81 3i69 s LEU 50 CO 0.72 -0.08 1.76 -0.03 0.23 0.00 0.00 176.35 178.94 3i69 h MET 51 N 8.06 1.05 -0.27 1.70 1.85 -1.85 -2.54 114.93 122.94 3i69 h MET 51 Ca -0.37 -0.24 0.00 0.00 -0.61 0.00 0.00 59.70 58.48 3i69 h MET 51 Cb 1.13 -0.15 0.00 0.00 0.43 0.00 0.00 31.60 33.01 3i69 h MET 51 CO 0.59 0.92 0.00 1.19 -0.40 0.00 0.00 176.91 179.22 3i69 n PHE 52 N -4.25 0.88 -1.22 1.39 3.72 -1.26 -4.95 117.46 111.77 3i69 n PHE 52 Ca 0.05 -0.84 -0.08 0.00 -0.05 0.00 0.00 57.45 56.54 3i69 n PHE 52 Cb 0.24 -0.28 -0.03 0.00 -0.94 0.00 0.00 39.48 38.47 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 -0.41 -0.95 -4.39 -1.08 1.13 -0.96 -4.99 117.38 105.73 3i69 n GLN 53 Ca 0.20 0.70 -0.22 0.00 -1.94 0.00 0.00 57.00 55.74 3i69 n GLN 53 Cb 0.84 -4.66 -0.10 0.00 0.11 0.00 0.00 30.24 26.43 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 -2.35 1.45 0.21 -1.09 -0.21 -1.26 -4.95 119.66 111.46 3i69 s GLN 54 Ca 0.00 -1.60 0.08 0.00 0.02 0.00 0.00 55.36 53.86 3i69 s GLN 54 Cb 0.00 -1.47 -0.04 0.00 1.00 0.00 0.00 33.01 32.50 3i69 s GLN 54 CO 0.00 0.28 0.04 0.14 -2.12 0.00 0.00 175.29 173.63 3i69 s VAL 55 N -2.45 3.85 0.54 1.09 -7.23 -1.26 -4.58 120.40 110.35 3i69 s VAL 55 Ca 0.23 -1.51 -0.21 0.00 -1.81 0.00 0.00 61.98 58.69 3i69 s VAL 55 Cb -0.04 -2.99 -0.05 0.00 0.56 0.00 0.00 36.38 33.86 3i69 s VAL 55 CO 0.10 -0.21 1.22 -2.84 -0.31 0.00 0.00 175.10 173.05 3i69 s PRO 56 N -3.29 3.28 0.04 4.82 0.02 -1.26 -4.99 135.00 133.62 3i69 s PRO 56 Ca 0.30 1.87 0.02 0.00 0.02 0.00 0.00 61.00 63.21 3i69 s PRO 56 Cb -0.08 -2.14 -0.02 0.00 0.02 0.00 0.00 34.50 32.27 3i69 s PRO 56 CO 0.20 -0.97 -0.08 1.41 -0.33 0.00 0.00 177.00 177.24 3i69 s MET 57 N -3.05 0.53 -0.07 5.54 1.75 -1.18 -3.75 119.30 119.07 3i69 s MET 57 Ca 0.72 -0.70 -0.00 0.00 -1.25 0.00 0.00 55.69 54.45 3i69 s MET 57 Cb -0.31 -0.33 0.02 0.00 2.84 0.00 0.00 34.83 37.05 3i69 s MET 57 CO 0.36 0.06 -0.03 0.08 -0.65 0.00 0.00 175.02 174.84 3i69 s VAL 58 N -1.23 0.58 -0.37 10.11 1.01 -0.55 -1.10 120.40 128.84 3i69 s VAL 58 Ca -0.08 -0.06 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 3i69 s VAL 58 Cb -0.09 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.65 3i69 s VAL 58 CO 0.00 0.27 0.98 -1.61 0.00 0.00 0.00 175.10 174.74 3i69 s GLU 59 N 1.50 3.86 -0.10 2.72 2.02 0.16 -2.57 118.70 126.29 3i69 s GLU 59 Ca -0.01 0.66 -0.09 0.00 0.02 0.00 0.00 54.97 55.54 3i69 s GLU 59 Cb -0.13 -3.81 0.03 0.00 0.10 0.00 0.00 34.13 30.32 3i69 s GLU 59 CO -0.04 -0.99 0.26 -1.50 0.02 0.00 0.00 175.26 173.01 3i69 s ILE 60 N 3.62 -0.00 -1.20 -1.63 2.07 -0.91 -0.98 121.20 122.16 3i69 s ILE 60 Ca 0.41 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.62 3i69 s ILE 60 Cb -0.11 -0.37 0.03 0.00 0.13 0.00 0.00 42.46 42.13 3i69 s ILE 60 CO 0.20 0.00 0.07 0.47 -1.91 0.00 0.00 174.94 173.77 3i69 n ASP 61 N 2.99 0.40 -0.28 4.50 8.00 -1.26 0.87 116.55 131.76 3i69 n ASP 61 Ca -0.13 -0.96 -0.04 0.00 0.71 0.00 0.00 54.79 54.37 3i69 n ASP 61 Cb 0.58 -1.20 -0.02 0.00 -0.02 0.00 0.00 41.12 40.47 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 -2.00 0.50 3.97 0.44 0.00 -1.26 -5.00 105.19 101.84 3i69 n GLY 62 Ca -0.20 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.83 3.28 -0.56 1.61 -1.94 0.25 -5.06 119.30 115.05 3i69 s MET 63 Ca 0.00 -0.71 0.06 0.00 -1.71 0.00 0.00 55.69 53.34 3i69 s MET 63 Cb 0.00 -2.76 0.30 0.00 2.01 0.00 0.00 34.83 34.38 3i69 s MET 63 CO 0.00 0.13 0.82 1.63 -0.01 0.00 0.00 175.02 177.59 3i69 n LYS 64 N -1.68 2.51 -2.36 2.03 5.02 -1.26 -2.15 118.16 120.28 3i69 n LYS 64 Ca -0.03 -4.48 -0.42 0.00 -2.02 0.00 0.00 58.31 51.36 3i69 n LYS 64 Cb 0.57 -2.09 -0.03 0.00 -0.02 0.00 0.00 35.03 33.46 3i69 n LYS 64 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3i69 s LEU 65 N -2.82 4.41 0.54 -0.35 1.43 -1.06 -4.77 118.68 116.05 3i69 s LEU 65 Ca 0.44 2.16 0.01 0.00 -1.03 0.00 0.00 54.13 55.71 3i69 s LEU 65 Cb 0.24 -3.59 0.01 0.00 0.03 0.00 0.00 46.19 42.87 3i69 s LEU 65 CO -0.09 -0.45 0.08 0.68 0.23 0.00 0.00 176.35 176.80 3i69 s VAL 66 N 0.56 1.12 0.01 -1.59 -7.23 -1.26 -1.48 120.40 110.53 3i69 s VAL 66 Ca 0.57 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.84 3i69 s VAL 66 Cb -0.32 -2.01 0.00 0.00 0.56 0.00 0.00 36.38 34.61 3i69 s VAL 66 CO 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 175.10 175.12 3i69 n GLN 67 N -1.42 -1.10 -0.32 4.82 1.13 -1.25 -4.48 117.38 114.77 3i69 n GLN 67 Ca -0.18 1.19 0.09 0.00 -1.94 0.00 0.00 57.00 56.16 3i69 n GLN 67 Cb 0.66 -1.26 0.20 0.00 0.11 0.00 0.00 30.24 29.96 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 0.88 0.10 0.00 5.09 2.02 -1.90 -0.45 112.91 118.65 3i69 h THR 68 Ca 0.00 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.09 3i69 h THR 68 Cb 0.00 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3i69 h THR 68 CO 0.00 0.00 -0.39 0.03 0.37 0.00 0.00 175.52 175.54 3i69 h ARG 69 N 0.02 0.00 -0.05 6.66 3.08 -1.98 -0.26 114.38 121.86 3i69 h ARG 69 Ca 0.51 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 60.31 3i69 h ARG 69 Cb 0.93 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.99 3i69 h ARG 69 CO -0.89 0.39 -0.94 0.00 -1.07 0.00 0.00 179.97 177.45 3i69 h ALA 70 N 1.61 0.22 -0.03 0.04 0.00 -1.33 -1.10 119.26 118.68 3i69 h ALA 70 Ca -0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 3i69 h ALA 70 Cb 0.90 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3i69 h ALA 70 CO 0.05 0.70 0.01 0.82 0.00 0.00 0.00 179.25 180.83 3i69 h ILE 71 N 0.43 1.16 -0.27 0.00 2.04 -1.05 -2.06 117.51 117.75 3i69 h ILE 71 Ca -0.10 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3i69 h ILE 71 Cb 1.58 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 39.08 3i69 h ILE 71 CO 0.19 0.13 0.09 -0.07 0.00 0.00 0.00 178.15 178.48 3i69 h LEU 72 N -0.15 0.38 -0.54 1.44 3.38 -1.08 -1.99 115.31 116.76 3i69 h LEU 72 Ca 0.01 -0.19 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3i69 h LEU 72 Cb 0.20 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3i69 h LEU 72 CO -0.00 0.47 0.29 0.78 0.09 0.00 0.00 178.44 180.07 3i69 h ASN 73 N 0.28 0.43 -0.58 -0.43 2.35 -1.21 -1.11 115.58 115.31 3i69 h ASN 73 Ca 0.09 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3i69 h ASN 73 Cb 0.22 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 3i69 h ASN 73 CO -0.00 0.29 0.22 0.22 -1.65 0.00 0.00 177.43 176.51 3i69 h TYR 74 N 0.56 0.89 -0.29 1.19 3.20 -1.20 -1.03 116.97 120.28 3i69 h TYR 74 Ca 0.23 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 3i69 h TYR 74 Cb 0.12 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3i69 h TYR 74 CO -0.09 0.72 -0.29 0.82 -1.64 0.00 0.00 178.16 177.68 3i69 h ILE 75 N 0.80 1.28 -0.16 1.81 2.04 -1.07 -1.43 117.51 120.78 3i69 h ILE 75 Ca 0.19 -1.38 -0.08 0.00 1.00 0.00 0.00 64.86 64.59 3i69 h ILE 75 Cb 0.21 1.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3i69 h ILE 75 CO -0.01 0.45 -0.21 0.00 0.00 0.00 0.00 178.15 178.37 3i69 h ALA 76 N 1.17 0.24 -0.25 1.87 0.00 -0.99 -2.91 119.26 118.39 3i69 h ALA 76 Ca 0.07 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3i69 h ALA 76 Cb 0.76 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3i69 h ALA 76 CO 0.06 0.18 0.14 1.03 0.00 0.00 0.00 179.25 180.66 3i69 h SER 77 N 0.05 0.23 -0.75 0.00 0.87 -1.20 -0.27 113.55 112.48 3i69 h SER 77 Ca 0.02 0.00 0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3i69 h SER 77 Cb 0.77 -0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.63 3i69 h SER 77 CO 0.05 0.17 0.48 0.50 -0.53 0.00 0.00 176.83 177.50 3i69 h LYS 78 N 0.30 0.91 -0.50 2.24 3.64 -1.25 -3.00 116.57 118.91 3i69 h LYS 78 Ca 0.10 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.22 3i69 h LYS 78 Cb -0.00 -0.21 -0.12 0.00 -0.41 0.00 0.00 32.23 31.49 3i69 h LYS 78 CO -0.05 0.60 0.11 0.66 -2.27 0.00 0.00 179.45 178.51 3i69 n TYR 79 N -4.62 1.59 -3.65 1.91 4.01 -1.10 -4.97 117.16 110.33 3i69 n TYR 79 Ca 0.08 -1.44 -0.22 0.00 -0.16 0.00 0.00 57.90 56.17 3i69 n TYR 79 Cb 0.08 -0.56 0.04 0.00 -0.31 0.00 0.00 39.34 38.59 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 -0.87 -1.97 -0.12 7.72 3.02 -1.08 -4.90 115.26 117.07 3i69 n ASN 80 Ca 0.37 -0.82 0.09 0.00 -0.03 0.00 0.00 54.58 54.19 3i69 n ASN 80 Cb 1.17 -4.13 0.13 0.00 -0.61 0.00 0.00 39.78 36.33 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 -4.18 2.16 -0.97 3.41 4.77 -0.13 -4.71 117.00 117.35 3i69 n LEU 81 Ca -0.27 -2.94 -0.01 0.00 -0.03 0.00 0.00 56.01 52.76 3i69 n LEU 81 Cb 0.67 -0.40 0.18 0.00 -2.33 0.00 0.00 43.42 41.54 3i69 n LEU 81 CO 0.67 0.69 0.46 0.00 -1.33 0.00 0.00 177.39 177.88 3i69 n TYR 82 N -1.31 0.70 -2.28 -1.77 4.19 -1.20 0.19 117.16 115.68 3i69 n TYR 82 Ca 0.15 -1.65 0.06 0.00 3.31 0.00 0.00 57.90 59.78 3i69 n TYR 82 Cb 0.65 -0.36 -0.02 0.00 0.49 0.00 0.00 39.34 40.10 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 -1.07 -1.83 0.03 2.98 0.00 -1.26 -4.39 105.19 99.64 3i69 n GLY 83 Ca 0.27 -1.28 0.02 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.10 0.93 -4.13 1.61 2.85 -1.26 -4.95 118.16 111.11 3i69 n LYS 84 Ca 0.00 -0.09 -0.13 0.00 -1.05 0.00 0.00 58.31 57.05 3i69 n LYS 84 Cb 0.22 -1.33 -0.07 0.00 -0.65 0.00 0.00 35.03 33.19 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 -3.96 0.53 0.55 -5.58 1.47 -1.26 -5.04 116.67 103.37 3i69 s ASP 85 Ca -0.06 -1.36 0.24 0.00 1.18 0.00 0.00 52.55 52.55 3i69 s ASP 85 Cb 0.07 0.54 1.48 0.00 -0.34 0.00 0.00 42.92 44.67 3i69 s ASP 85 CO 0.57 -1.08 2.11 -0.29 0.68 0.00 0.00 175.17 177.16 3i69 h ILE 86 N 2.31 0.72 0.17 2.11 2.10 -1.97 -1.19 117.51 121.76 3i69 h ILE 86 Ca -0.30 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.34 3i69 h ILE 86 Cb 1.24 0.88 0.03 0.00 -1.09 0.00 0.00 36.82 37.88 3i69 h ILE 86 CO 0.42 0.00 -1.32 0.11 -1.08 0.00 0.00 178.15 176.28 3i69 h LYS 87 N 0.00 0.49 -0.26 2.19 1.57 -1.99 -2.85 116.57 115.72 3i69 h LYS 87 Ca 0.09 -0.75 -0.16 0.00 -1.87 0.00 0.00 60.65 57.96 3i69 h LYS 87 Cb 0.40 0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3i69 h LYS 87 CO -0.00 1.35 -0.49 0.93 -0.57 0.00 0.00 179.45 180.66 3i69 h GLU 88 N 0.17 0.71 -0.55 3.15 5.08 -1.75 -2.72 114.58 118.68 3i69 h GLU 88 Ca -0.20 -0.42 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 3i69 h GLU 88 Cb 2.01 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 31.27 3i69 h GLU 88 CO 0.24 1.04 0.32 0.00 -1.00 0.00 0.00 179.01 179.61 3i69 h ARG 89 N 0.56 0.74 -0.58 2.33 3.08 -1.33 0.08 114.38 119.27 3i69 h ARG 89 Ca 0.03 -0.07 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 3i69 h ARG 89 Cb 1.05 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.92 3i69 h ARG 89 CO 0.10 0.53 0.17 0.00 -1.07 0.00 0.00 179.97 179.71 3i69 h ALA 90 N 1.60 0.75 0.42 0.04 0.00 -1.27 0.69 119.26 121.49 3i69 h ALA 90 Ca 0.20 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3i69 h ALA 90 Cb -0.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3i69 h ALA 90 CO -0.04 0.43 -0.20 -0.07 0.00 0.00 0.00 179.25 179.37 3i69 h LEU 91 N 0.81 -0.48 -0.90 0.00 3.38 -1.15 -2.38 115.31 114.61 3i69 h LEU 91 Ca 0.18 -0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.22 3i69 h LEU 91 Cb 0.30 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 41.07 3i69 h LEU 91 CO -0.00 -0.15 0.48 0.40 0.09 0.00 0.00 178.44 179.25 3i69 h ILE 92 N -0.83 0.68 -0.57 1.22 2.04 -0.90 0.66 117.51 119.81 3i69 h ILE 92 Ca -0.06 -0.21 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 3i69 h ILE 92 Cb 0.55 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3i69 h ILE 92 CO 0.09 0.11 -0.07 0.44 0.00 0.00 0.00 178.15 178.72 3i69 h ASP 93 N 0.63 1.05 -0.49 1.72 3.32 -0.87 -0.50 116.42 121.28 3i69 h ASP 93 Ca 0.51 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 57.10 3i69 h ASP 93 Cb 0.78 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3i69 h ASP 93 CO -0.39 1.14 -0.17 -0.03 -1.72 0.00 0.00 179.24 178.07 3i69 h MET 94 N 0.95 0.98 0.11 3.56 4.05 -0.64 -2.07 114.93 121.88 3i69 h MET 94 Ca 0.15 -0.40 -0.01 0.00 -0.28 0.00 0.00 59.70 59.17 3i69 h MET 94 Cb 0.65 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.40 3i69 h MET 94 CO 0.04 1.07 -0.05 1.88 0.23 0.00 0.00 176.91 180.08 3i69 h TYR 95 N 0.84 -0.14 -0.05 1.39 0.05 -0.74 -3.00 116.97 115.32 3i69 h TYR 95 Ca 0.12 -0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.78 3i69 h TYR 95 Cb 0.74 0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.51 3i69 h TYR 95 CO 0.05 0.17 -0.51 -0.84 -1.05 0.00 0.00 178.16 175.98 3i69 h ILE 96 N -0.46 1.36 -0.02 -2.88 3.07 -1.11 -2.23 117.51 115.24 3i69 h ILE 96 Ca -0.02 -1.75 -0.12 0.00 1.55 0.00 0.00 64.86 64.52 3i69 h ILE 96 Cb 0.37 1.89 -0.02 0.00 -0.27 0.00 0.00 36.82 38.80 3i69 h ILE 96 CO 0.03 0.51 -0.53 -0.33 -1.05 0.00 0.00 178.15 176.77 3i69 h GLU 97 N 0.09 0.06 -0.07 0.16 4.39 -1.43 0.29 114.58 118.08 3i69 h GLU 97 Ca 0.00 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 3i69 h GLU 97 Cb 0.93 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.58 3i69 h GLU 97 CO 0.07 0.58 0.01 0.78 -1.16 0.00 0.00 179.01 179.29 3i69 h GLY 98 N 1.55 0.12 0.57 -3.84 0.00 -1.32 -1.65 103.07 98.50 3i69 h GLY 98 Ca -0.00 -0.07 0.08 0.00 0.00 0.00 0.00 47.33 47.33 3i69 h GLY 98 CO 0.07 0.07 0.40 -2.22 0.00 0.00 0.00 176.54 174.87 3i69 h ILE 99 N -0.12 0.92 -0.70 2.60 2.04 -1.05 -2.23 117.51 118.98 3i69 h ILE 99 Ca 0.02 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.58 3i69 h ILE 99 Cb 0.26 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 3i69 h ILE 99 CO 0.00 0.13 0.20 0.00 0.00 0.00 0.00 178.15 178.48 3i69 h ALA 100 N 1.41 1.04 -0.75 1.87 0.00 -0.31 0.50 119.26 123.01 3i69 h ALA 100 Ca 0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i69 h ALA 100 Cb 0.29 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3i69 h ALA 100 CO -0.23 0.64 0.45 -0.44 0.00 0.00 0.00 179.25 179.67 3i69 h ASP 101 N 1.04 0.91 -0.06 0.00 3.32 -0.74 0.34 116.42 121.22 3i69 h ASP 101 Ca 0.22 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.16 3i69 h ASP 101 Cb 0.32 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.64 3i69 h ASP 101 CO -0.00 0.71 -0.16 0.25 -1.72 0.00 0.00 179.24 178.31 3i69 h LEU 102 N 1.03 0.25 -1.13 1.55 5.85 -1.16 -3.14 115.31 118.56 3i69 h LEU 102 Ca 0.27 -0.59 0.09 0.00 0.84 0.00 0.00 57.88 58.49 3i69 h LEU 102 Cb -0.03 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 40.86 3i69 h LEU 102 CO -0.05 0.80 0.60 1.23 -0.34 0.00 0.00 178.44 180.68 3i69 h GLY 103 N -0.29 1.39 1.47 3.75 0.00 0.17 -0.32 103.07 109.23 3i69 h GLY 103 Ca -0.00 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 46.96 3i69 h GLY 103 CO 0.04 0.23 0.29 -2.09 0.00 0.00 0.00 176.54 175.00 3i69 h GLU 104 N 0.96 0.47 -0.00 4.80 4.57 -0.35 -2.44 114.58 122.59 3i69 h GLU 104 Ca 0.43 -0.03 -0.13 0.00 -1.18 0.00 0.00 59.36 58.45 3i69 h GLU 104 Cb 0.37 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 3i69 h GLU 104 CO -0.19 0.31 -0.63 0.52 -1.18 0.00 0.00 179.01 177.84 3i69 h MET 105 N 0.48 0.01 0.00 1.92 2.86 -1.00 -2.95 114.93 116.25 3i69 h MET 105 Ca 0.18 -0.01 -0.10 0.00 -2.06 0.00 0.00 59.70 57.71 3i69 h MET 105 Cb 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 3i69 h MET 105 CO -0.04 0.64 -0.45 0.82 1.06 0.00 0.00 176.91 178.93 3i69 h ILE 106 N 0.01 0.79 -0.18 -1.22 2.04 -1.34 -2.85 117.51 114.77 3i69 h ILE 106 Ca -0.01 -2.09 -0.15 0.00 1.00 0.00 0.00 64.86 63.62 3i69 h ILE 106 Cb 1.11 2.37 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 3i69 h ILE 106 CO 0.08 0.45 -0.51 0.40 0.00 0.00 0.00 178.15 178.57 3i69 h ILE 107 N 0.00 1.32 0.00 -0.67 2.04 -1.33 -3.24 117.51 115.64 3i69 h ILE 107 Ca -0.00 -1.75 -0.19 0.00 1.00 0.00 0.00 64.86 63.92 3i69 h ILE 107 Cb 1.34 1.75 -0.03 0.00 -0.74 0.00 0.00 36.82 39.13 3i69 h ILE 107 CO 0.06 0.54 -1.01 0.24 0.00 0.00 0.00 178.15 177.98 3i69 h MET 108 N 0.38 0.00 -1.15 2.37 2.86 -1.56 -3.39 114.93 114.45 3i69 h MET 108 Ca 0.01 0.00 0.33 0.00 -2.06 0.00 0.00 59.70 57.98 3i69 h MET 108 Cb 1.03 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.63 3i69 h MET 108 CO 0.09 0.71 0.82 1.25 1.06 0.00 0.00 176.91 180.84 3i69 h LEU 109 N 0.00 0.07 -0.35 1.22 5.85 -1.52 0.35 115.31 120.92 3i69 h LEU 109 Ca -0.07 0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.48 3i69 h LEU 109 Cb 1.68 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.71 3i69 h LEU 109 CO 0.10 0.01 -0.82 -0.65 -0.34 0.00 0.00 178.44 176.74 3i69 h PRO 110 N 0.06 0.23 0.00 5.25 0.11 -1.79 -3.35 132.00 132.52 3i69 h PRO 110 Ca 0.57 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 66.45 3i69 h PRO 110 Cb 2.13 0.06 0.00 0.00 0.11 0.00 0.00 31.00 33.30 3i69 h PRO 110 CO -0.06 0.93 0.00 1.19 -0.21 0.00 0.00 178.00 179.85 3i69 n PHE 111 N -3.71 0.00 -1.38 0.65 3.01 0.12 -4.80 117.46 111.35 3i69 n PHE 111 Ca -0.04 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 58.11 3i69 n PHE 111 Cb 0.77 0.00 0.08 0.00 -0.01 0.00 0.00 39.48 40.31 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 -4.93 3.58 0.55 0.00 0.02 -1.26 -4.88 135.00 128.08 3i69 s PRO 113 Ca 0.60 1.99 0.35 0.00 0.02 0.00 0.00 61.00 63.96 3i69 s PRO 113 Cb -0.16 -2.41 1.52 0.00 0.02 0.00 0.00 34.50 33.47 3i69 s PRO 113 CO 0.55 -0.76 1.82 -1.35 -0.33 0.00 0.00 177.00 176.93 3i69 h PRO 114 N 1.94 0.00 0.36 5.54 0.11 -1.96 0.12 132.00 138.11 3i69 h PRO 114 Ca -0.50 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3i69 h PRO 114 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 3i69 h PRO 114 CO 0.60 0.00 -0.27 1.49 -0.21 0.00 0.00 178.00 179.60 3i69 h GLU 115 N 0.00 -0.60 0.00 1.05 4.22 -2.04 -3.28 114.58 113.92 3i69 h GLU 115 Ca 0.52 0.04 -0.08 0.00 0.08 0.00 0.00 59.36 59.91 3i69 h GLU 115 Cb 2.11 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 31.49 3i69 h GLU 115 CO -0.01 -0.40 -0.40 0.93 -2.18 0.00 0.00 179.01 176.95 3i69 h GLU 116 N -0.63 0.00 -0.94 1.92 5.08 -1.13 -3.36 114.58 115.52 3i69 h GLU 116 Ca -0.03 0.00 0.21 0.00 -1.00 0.00 0.00 59.36 58.54 3i69 h GLU 116 Cb 0.54 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.72 3i69 h GLU 116 CO -0.00 0.40 0.61 0.87 -1.00 0.00 0.00 179.01 179.89 3i69 h LYS 117 N 0.00 0.46 -0.41 2.33 1.57 -1.56 -1.56 116.57 117.41 3i69 h LYS 117 Ca -0.00 -0.03 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 3i69 h LYS 117 Cb 0.99 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 3i69 h LYS 117 CO 0.05 0.30 -0.34 -0.44 -0.57 0.00 0.00 179.45 178.46 3i69 h ASP 118 N 0.47 1.01 0.90 0.86 3.32 -1.80 -3.22 116.42 117.97 3i69 h ASP 118 Ca 0.51 -0.45 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 3i69 h ASP 118 Cb 1.17 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 40.44 3i69 h ASP 118 CO -0.23 1.24 -0.43 0.00 -1.72 0.00 0.00 179.24 178.11 3i69 h ALA 119 N 0.80 -1.22 -0.60 3.45 0.00 -1.55 -3.19 119.26 116.96 3i69 h ALA 119 Ca 0.08 -0.26 0.12 0.00 0.00 0.00 0.00 54.91 54.84 3i69 h ALA 119 Cb 0.93 0.47 -0.11 0.00 0.00 0.00 0.00 17.79 19.07 3i69 h ALA 119 CO 0.09 -1.13 -0.16 -0.22 0.00 0.00 0.00 179.25 177.82 3i69 h LYS 120 N -1.31 -0.01 -0.57 0.00 1.63 -1.67 -2.90 116.57 111.73 3i69 h LYS 120 Ca -0.12 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.78 3i69 h LYS 120 Cb 0.93 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 32.48 3i69 h LYS 120 CO 0.20 -0.01 0.12 1.25 -3.45 0.00 0.00 179.45 177.56 3i69 h LEU 121 N -0.01 0.01 -1.04 5.20 5.85 -1.55 0.88 115.31 124.64 3i69 h LEU 121 Ca 0.29 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 3i69 h LEU 121 Cb 0.45 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 3i69 h LEU 121 CO -0.63 0.02 0.57 0.00 -0.34 0.00 0.00 178.44 178.06 3i69 h ALA 122 N 1.45 1.29 -0.25 1.25 0.00 -1.52 -1.52 119.26 119.96 3i69 h ALA 122 Ca 0.29 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3i69 h ALA 122 Cb 0.42 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3i69 h ALA 122 CO -0.38 0.63 -0.21 1.25 0.00 0.00 0.00 179.25 180.55 3i69 h LEU 123 N 1.25 0.44 -0.31 0.00 5.85 -0.92 -2.11 115.31 119.51 3i69 h LEU 123 Ca 0.33 -0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3i69 h LEU 123 Cb -0.08 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 3i69 h LEU 123 CO -0.06 0.66 0.10 0.40 -0.34 0.00 0.00 178.44 179.19 3i69 h ILE 124 N 0.40 1.20 -0.37 4.05 2.04 -0.23 -2.69 117.51 121.91 3i69 h ILE 124 Ca 0.07 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.26 3i69 h ILE 124 Cb 0.59 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 3i69 h ILE 124 CO 0.04 0.22 0.18 0.11 0.00 0.00 0.00 178.15 178.71 3i69 h LYS 125 N 0.35 0.53 -0.39 2.37 1.57 -0.97 0.21 116.57 120.24 3i69 h LYS 125 Ca 0.10 -0.08 0.08 0.00 -1.87 0.00 0.00 60.65 58.89 3i69 h LYS 125 Cb 0.25 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.37 3i69 h LYS 125 CO -0.00 0.47 -0.20 0.93 -0.57 0.00 0.00 179.45 180.08 3i69 h GLU 126 N 0.47 -0.12 0.00 3.15 5.08 -1.41 0.38 114.58 122.12 3i69 h GLU 126 Ca 0.13 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3i69 h GLU 126 Cb 0.11 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3i69 h GLU 126 CO -0.02 -0.08 -0.18 0.87 -1.00 0.00 0.00 179.01 178.60 3i69 h LYS 127 N -0.13 0.00 0.19 2.33 1.57 -1.02 0.17 116.57 119.68 3i69 h LYS 127 Ca 0.19 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3i69 h LYS 127 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3i69 h LYS 127 CO -0.47 0.18 -0.09 0.82 -0.57 0.00 0.00 179.45 179.32 3i69 h ILE 128 N 0.00 0.90 -0.59 1.86 2.04 0.12 -1.72 117.51 120.11 3i69 h ILE 128 Ca -0.00 -0.84 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 3i69 h ILE 128 Cb 0.40 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 3i69 h ILE 128 CO 0.02 0.18 0.15 0.50 0.00 0.00 0.00 178.15 179.00 3i69 h LYS 129 N -0.70 0.95 0.00 2.37 3.64 0.33 -2.60 116.57 120.56 3i69 h LYS 129 Ca -0.03 -0.22 -0.33 0.00 -1.27 0.00 0.00 60.65 58.80 3i69 h LYS 129 Cb 0.49 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 3i69 h LYS 129 CO 0.04 0.87 -2.23 0.09 -2.27 0.00 0.00 179.45 175.95 3i69 n ASN 130 N -4.37 0.85 -0.06 4.20 5.03 0.53 -4.47 115.26 116.97 3i69 n ASN 130 Ca 0.03 -0.02 -0.06 0.00 0.87 0.00 0.00 54.58 55.40 3i69 n ASN 130 Cb 0.24 0.75 -0.02 0.00 -1.02 0.00 0.00 39.78 39.73 3i69 n ASN 130 CO 0.00 0.00 0.00 -1.14 -1.83 0.00 0.00 177.26 174.29 3i69 n ARG 131 N -2.73 0.37 -0.04 3.52 0.63 -1.09 -4.71 116.66 112.61 3i69 n ARG 131 Ca -0.31 0.15 -0.06 0.00 -0.92 0.00 0.00 57.85 56.71 3i69 n ARG 131 Cb 1.06 -1.14 -0.05 0.00 0.45 0.00 0.00 32.46 32.78 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 -0.70 -0.04 -0.23 -0.14 0.05 -1.40 -3.06 116.97 111.45 3i69 h TYR 132 Ca 0.00 -0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 3i69 h TYR 132 Cb 0.70 0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.42 3i69 h TYR 132 CO -0.30 0.35 0.01 0.74 -1.05 0.00 0.00 178.16 177.90 3i69 h PHE 133 N -0.99 0.00 -0.99 4.88 -1.00 -1.71 -1.43 116.94 115.71 3i69 h PHE 133 Ca -0.00 0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.89 3i69 h PHE 133 Cb 0.40 0.03 -0.08 0.00 3.61 0.00 0.00 35.95 39.92 3i69 h PHE 133 CO 0.10 -0.03 0.63 -1.35 -1.61 0.00 0.00 178.31 176.05 3i69 h PRO 134 N 0.08 1.02 -0.06 1.51 0.11 -1.78 0.46 132.00 133.33 3i69 h PRO 134 Ca 0.11 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 66.14 3i69 h PRO 134 Cb 0.13 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.01 3i69 h PRO 134 CO -0.18 0.67 -0.04 0.00 -0.21 0.00 0.00 178.00 178.25 3i69 h ALA 135 N 1.50 1.82 0.06 -0.75 0.00 -1.17 -0.84 119.26 119.89 3i69 h ALA 135 Ca 0.47 -0.08 -0.35 0.00 0.00 0.00 0.00 54.91 54.95 3i69 h ALA 135 Cb 0.36 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3i69 h ALA 135 CO -0.23 0.14 -2.05 1.19 0.00 0.00 0.00 179.25 178.30 3i69 n PHE 136 N -4.44 0.86 -0.12 0.00 3.72 -0.41 -3.12 117.46 113.95 3i69 n PHE 136 Ca -0.02 0.22 -0.05 0.00 -0.05 0.00 0.00 57.45 57.55 3i69 n PHE 136 Cb 0.15 -1.13 0.03 0.00 -0.94 0.00 0.00 39.48 37.60 3i69 n PHE 136 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3i69 h GLU 137 N 0.04 0.24 -0.74 -1.08 4.57 -0.91 -1.27 114.58 115.43 3i69 h GLU 137 Ca -0.43 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 57.80 3i69 h GLU 137 Cb 2.03 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 30.51 3i69 h GLU 137 CO 0.05 0.16 0.43 -0.22 -1.18 0.00 0.00 179.01 178.25 3i69 h LYS 138 N 0.24 0.77 -0.78 1.92 3.64 -1.27 0.54 116.57 121.64 3i69 h LYS 138 Ca 0.19 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.48 3i69 h LYS 138 Cb 0.20 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 3i69 h LYS 138 CO -0.22 0.51 0.32 0.28 -2.27 0.00 0.00 179.45 178.07 3i69 h VAL 139 N 0.79 1.26 -0.50 2.00 2.07 -1.41 0.61 116.25 121.07 3i69 h VAL 139 Ca 0.33 -0.79 -0.09 0.00 0.82 0.00 0.00 66.70 66.97 3i69 h VAL 139 Cb 0.19 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 3i69 h VAL 139 CO -0.18 0.32 -0.04 -0.07 0.02 0.00 0.00 177.57 177.63 3i69 h LEU 140 N 1.12 0.90 -0.66 2.57 3.38 -0.09 -2.79 115.31 119.74 3i69 h LEU 140 Ca 0.26 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3i69 h LEU 140 Cb 0.19 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3i69 h LEU 140 CO -0.02 1.01 0.36 0.50 0.09 0.00 0.00 178.44 180.38 3i69 h LYS 141 N 0.77 0.92 -0.97 1.13 3.64 0.44 0.21 116.57 122.71 3i69 h LYS 141 Ca 0.14 -0.11 0.13 0.00 -1.27 0.00 0.00 60.65 59.54 3i69 h LYS 141 Cb 0.57 -0.18 -0.08 0.00 -0.41 0.00 0.00 32.23 32.13 3i69 h LYS 141 CO 0.03 0.70 0.61 0.66 -2.27 0.00 0.00 179.45 179.18 3i69 h SER 142 N 0.90 0.85 0.00 4.20 4.64 0.51 -3.06 113.55 121.59 3i69 h SER 142 Ca 0.23 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 3i69 h SER 142 Cb 0.04 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3i69 h SER 142 CO -0.04 0.44 -0.48 0.00 -0.87 0.00 0.00 176.83 175.88 3i69 n HIS 143 N -4.60 0.00 -0.78 4.77 1.44 -1.21 -5.03 115.22 109.81 3i69 n HIS 143 Ca 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 3i69 n HIS 143 Cb 0.39 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.48 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 1.59 0.48 3.88 -1.39 0.00 0.73 -4.98 105.19 105.50 3i69 n GLY 144 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.55 3.02 0.58 1.61 -0.21 -1.26 -4.96 119.66 117.90 3i69 s GLN 145 Ca 0.00 0.51 0.36 0.00 0.02 0.00 0.00 55.36 56.25 3i69 s GLN 145 Cb 0.00 -2.04 1.76 0.00 1.00 0.00 0.00 33.01 33.73 3i69 s GLN 145 CO 0.00 -0.92 2.14 -0.44 -2.12 0.00 0.00 175.29 173.95 3i69 h ASP 146 N -0.57 0.00 -2.88 5.90 5.19 -1.95 -3.45 116.42 118.67 3i69 h ASP 146 Ca -0.45 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.45 3i69 h ASP 146 Cb 1.24 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.61 3i69 h ASP 146 CO 0.63 0.03 -0.60 -0.31 -3.12 0.00 0.00 179.24 175.88 3i69 s TYR 147 N -3.97 2.04 0.09 4.55 2.02 -1.26 -4.91 117.35 115.91 3i69 s TYR 147 Ca -0.02 -0.94 -0.09 0.00 -0.37 0.00 0.00 57.07 55.65 3i69 s TYR 147 Cb 0.11 -1.37 -0.20 0.00 -0.40 0.00 0.00 41.96 40.11 3i69 s TYR 147 CO 0.51 0.06 1.20 -0.07 -1.57 0.00 0.00 175.55 175.69 3i69 h LEU 148 N 2.00 0.68 -7.52 -1.29 3.38 -1.86 -3.45 115.31 107.26 3i69 h LEU 148 Ca -0.41 -0.59 -0.33 0.00 0.09 0.00 0.00 57.88 56.64 3i69 h LEU 148 Cb 1.25 -0.21 -0.35 0.00 0.09 0.00 0.00 40.66 41.44 3i69 h LEU 148 CO 0.71 1.41 -0.74 -0.69 0.09 0.00 0.00 178.44 179.21 3i69 s VAL 149 N -3.10 0.03 -1.46 1.22 1.01 -1.26 -4.90 120.40 111.93 3i69 s VAL 149 Ca -0.07 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.11 3i69 s VAL 149 Cb 0.07 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.28 3i69 s VAL 149 CO 0.90 0.13 0.00 0.61 0.00 0.00 0.00 175.10 176.74 3i69 n GLY 150 N 4.37 0.99 4.42 4.51 0.00 -1.26 -3.33 105.19 114.89 3i69 n GLY 150 Ca -0.23 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.49 -1.87 -3.70 1.61 5.15 -1.26 -4.97 115.26 109.73 3i69 n ASN 151 Ca -0.15 -1.18 -0.12 0.00 -0.60 0.00 0.00 54.58 52.52 3i69 n ASN 151 Cb 0.53 -1.95 -0.07 0.00 -0.53 0.00 0.00 39.78 37.76 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 -7.16 0.88 0.17 1.20 -2.85 -1.21 -4.95 119.74 105.82 3i69 s LYS 152 Ca 0.70 -0.44 -0.33 0.00 -1.00 0.00 0.00 55.97 54.89 3i69 s LYS 152 Cb -0.40 0.39 -0.15 0.00 -2.06 0.00 0.00 37.83 35.61 3i69 s LYS 152 CO 1.00 -0.30 1.40 -0.11 0.10 0.00 0.00 175.35 177.44 3i69 n LEU 153 N 0.49 2.49 -4.18 2.77 7.94 -1.26 -4.63 117.00 120.63 3i69 n LEU 153 Ca -0.18 1.12 -0.11 0.00 -1.11 0.00 0.00 56.01 55.73 3i69 n LEU 153 Cb 0.60 -1.34 -0.10 0.00 0.53 0.00 0.00 43.42 43.11 3i69 n LEU 153 CO 0.20 -0.70 -0.31 -0.94 -1.11 0.00 0.00 177.39 174.53 3i69 s SER 154 N 0.46 0.63 0.42 1.96 1.04 -1.26 -4.74 113.70 112.21 3i69 s SER 154 Ca 0.76 -1.18 0.20 0.00 0.48 0.00 0.00 55.95 56.21 3i69 s SER 154 Cb -0.76 0.23 1.15 0.00 0.10 0.00 0.00 66.02 66.73 3i69 s SER 154 CO 0.46 -0.67 1.79 0.08 0.98 0.00 0.00 173.24 175.88 3i69 h ARG 155 N 2.83 0.34 -0.88 4.02 0.11 -0.63 0.53 114.38 120.70 3i69 h ARG 155 Ca -0.36 -0.02 0.17 0.00 0.10 0.00 0.00 59.98 59.87 3i69 h ARG 155 Cb 1.20 -0.08 -0.10 0.00 1.11 0.00 0.00 29.97 32.10 3i69 h ARG 155 CO 0.61 0.23 0.45 0.00 0.10 0.00 0.00 179.97 181.36 3i69 h ALA 156 N 1.60 1.37 -0.39 0.08 0.00 -1.88 0.11 119.26 120.15 3i69 h ALA 156 Ca 0.57 0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.46 3i69 h ALA 156 Cb 1.52 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3i69 h ALA 156 CO -0.25 -0.14 -0.26 -0.44 0.00 0.00 0.00 179.25 178.16 3i69 h ASP 157 N 0.60 0.83 -0.01 0.00 3.32 -1.29 -2.00 116.42 117.87 3i69 h ASP 157 Ca 0.50 -0.32 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 3i69 h ASP 157 Cb 0.78 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 3i69 h ASP 157 CO -0.40 1.04 -0.01 0.40 -1.72 0.00 0.00 179.24 178.56 3i69 h ILE 158 N 0.69 1.34 -0.55 0.35 1.08 -1.14 -2.61 117.51 116.67 3i69 h ILE 158 Ca 0.09 -1.00 0.01 0.00 -0.39 0.00 0.00 64.86 63.56 3i69 h ILE 158 Cb 0.79 1.99 -0.03 0.00 -3.07 0.00 0.00 36.82 36.50 3i69 h ILE 158 CO 0.07 0.26 0.37 0.45 -0.69 0.00 0.00 178.15 178.60 3i69 h HIS 159 N -0.39 0.69 -0.07 1.37 3.86 -0.83 -1.99 115.15 117.78 3i69 h HIS 159 Ca 0.00 0.02 -0.08 0.00 -1.16 0.00 0.00 60.37 59.15 3i69 h HIS 159 Cb 0.43 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.67 3i69 h HIS 159 CO 0.07 0.43 -0.28 1.25 0.86 0.00 0.00 177.93 180.26 3i69 h LEU 160 N 0.74 0.37 -0.75 2.43 5.85 -1.35 -2.86 115.31 119.72 3i69 h LEU 160 Ca 0.20 -0.64 -0.11 0.00 0.84 0.00 0.00 57.88 58.18 3i69 h LEU 160 Cb -0.07 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3i69 h LEU 160 CO -0.05 0.94 -0.23 0.58 -0.34 0.00 0.00 178.44 179.35 3i69 h VAL 161 N -0.19 1.27 -0.48 1.05 2.07 -1.39 -2.19 116.25 116.39 3i69 h VAL 161 Ca -0.02 -1.31 0.09 0.00 0.82 0.00 0.00 66.70 66.28 3i69 h VAL 161 Cb 0.92 1.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.85 3i69 h VAL 161 CO 0.06 0.43 0.01 -0.08 0.02 0.00 0.00 177.57 178.01 3i69 h GLU 162 N 0.62 0.12 -0.94 1.57 4.81 -1.40 -1.88 114.58 117.48 3i69 h GLU 162 Ca 0.09 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.32 3i69 h GLU 162 Cb 0.71 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.02 3i69 h GLU 162 CO 0.05 0.08 0.62 1.25 -0.73 0.00 0.00 179.01 180.28 3i69 h LEU 163 N 0.12 1.07 -1.51 1.64 5.85 -1.20 -2.37 115.31 118.90 3i69 h LEU 163 Ca 0.24 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 3i69 h LEU 163 Cb 0.36 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 3i69 h LEU 163 CO -0.40 0.76 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.36 3i69 h LEU 164 N 1.25 0.24 -0.96 2.25 3.38 -0.76 0.75 115.31 121.47 3i69 h LEU 164 Ca 0.35 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.20 3i69 h LEU 164 Cb -0.12 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3i69 h LEU 164 CO -0.08 0.32 -0.19 1.88 0.09 0.00 0.00 178.44 180.46 3i69 h TYR 165 N 0.25 0.59 -0.02 1.13 0.05 -0.89 -0.27 116.97 117.81 3i69 h TYR 165 Ca 0.06 -0.11 -0.21 0.00 0.05 0.00 0.00 58.73 58.51 3i69 h TYR 165 Cb 0.25 -0.15 -0.00 0.00 1.01 0.00 0.00 36.73 37.84 3i69 h TYR 165 CO 0.00 0.70 -0.89 1.88 -1.05 0.00 0.00 178.16 178.80 3i69 h TYR 166 N 0.48 0.56 -0.29 4.88 0.05 -1.06 -2.46 116.97 119.14 3i69 h TYR 166 Ca 0.08 -0.29 -0.11 0.00 0.05 0.00 0.00 58.73 58.46 3i69 h TYR 166 Cb 0.61 -0.07 -0.01 0.00 1.01 0.00 0.00 36.73 38.26 3i69 h TYR 166 CO 0.02 1.10 -0.27 0.28 -1.05 0.00 0.00 178.16 178.23 3i69 h VAL 167 N 0.23 1.27 -0.20 -2.88 2.07 -0.79 -1.94 116.25 114.02 3i69 h VAL 167 Ca -0.06 -1.35 -0.02 0.00 0.82 0.00 0.00 66.70 66.08 3i69 h VAL 167 Cb 1.51 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 3i69 h VAL 167 CO 0.15 0.43 0.04 -0.08 0.02 0.00 0.00 177.57 178.13 3i69 h GLU 168 N 0.51 0.32 -0.66 1.57 4.81 -1.03 0.83 114.58 120.92 3i69 h GLU 168 Ca 0.07 -0.08 0.11 0.00 -0.13 0.00 0.00 59.36 59.32 3i69 h GLU 168 Cb 0.74 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.00 3i69 h GLU 168 CO 0.06 0.47 0.25 0.93 -0.73 0.00 0.00 179.01 179.98 3i69 h GLU 169 N 0.12 0.41 -0.24 1.92 5.08 -1.31 -2.26 114.58 118.29 3i69 h GLU 169 Ca 0.06 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.34 3i69 h GLU 169 Cb 0.30 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3i69 h GLU 169 CO 0.00 0.27 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.13 3i69 h LEU 170 N 0.42 0.49 -6.87 1.33 4.07 -1.26 -3.45 115.31 110.03 3i69 h LEU 170 Ca 0.34 -0.38 0.10 0.00 0.08 0.00 0.00 57.88 58.01 3i69 h LEU 170 Cb 0.45 -0.13 -0.22 0.00 1.08 0.00 0.00 40.66 41.84 3i69 h LEU 170 CO -0.34 0.76 0.03 -0.62 -1.08 0.00 0.00 178.44 177.20 3i69 s ASP 171 N -6.11 -0.91 0.54 -0.43 -1.08 0.28 -5.05 116.67 103.90 3i69 s ASP 171 Ca -0.14 1.30 0.32 0.00 -0.52 0.00 0.00 52.55 53.51 3i69 s ASP 171 Cb 0.07 1.90 1.27 0.00 -1.46 0.00 0.00 42.92 44.70 3i69 s ASP 171 CO 0.77 -0.19 1.95 0.77 0.52 0.00 0.00 175.17 178.99 3i69 h SER 172 N 7.54 0.00 0.56 -0.34 4.64 -1.72 -3.31 113.55 120.92 3i69 h SER 172 Ca -0.20 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.83 3i69 h SER 172 Cb 1.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3i69 h SER 172 CO 0.11 0.02 -1.37 0.77 -0.87 0.00 0.00 176.83 175.49 3i69 h SER 173 N 0.00 0.38 -1.10 4.97 4.64 -1.90 -3.37 113.55 117.16 3i69 h SER 173 Ca -0.00 -0.46 0.31 0.00 -0.47 0.00 0.00 61.79 61.16 3i69 h SER 173 Cb 0.56 -0.12 -0.10 0.00 -0.31 0.00 0.00 62.40 62.43 3i69 h SER 173 CO 0.00 1.38 0.72 -0.07 -0.87 0.00 0.00 176.83 177.99 3i69 h LEU 174 N 0.07 0.37 0.00 5.97 3.38 -1.90 0.31 115.31 123.50 3i69 h LEU 174 Ca -0.18 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3i69 h LEU 174 Cb 1.99 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.77 3i69 h LEU 174 CO 0.18 0.03 -0.17 -0.29 0.09 0.00 0.00 178.44 178.28 3i69 h ILE 175 N 0.30 0.14 -0.01 1.22 2.10 -1.83 -3.38 117.51 116.05 3i69 h ILE 175 Ca 0.64 -1.21 0.00 0.00 1.08 0.00 0.00 64.86 65.37 3i69 h ILE 175 Cb 1.78 2.03 -0.00 0.00 -1.09 0.00 0.00 36.82 39.54 3i69 h ILE 175 CO -0.30 0.08 0.01 0.77 -1.08 0.00 0.00 178.15 177.64 3i69 h SER 176 N 0.00 0.00 0.19 2.19 4.64 -0.59 0.45 113.55 120.42 3i69 h SER 176 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3i69 h SER 176 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3i69 h SER 176 CO 0.01 0.00 -0.10 -1.54 -0.87 0.00 0.00 176.83 174.33 3i69 n SER 177 N -3.51 0.83 -3.82 4.97 3.41 -1.26 -4.57 113.62 109.67 3i69 n SER 177 Ca -0.03 -0.96 -0.28 0.00 -0.26 0.00 0.00 58.87 57.35 3i69 n SER 177 Cb 0.09 0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 3i69 n SER 177 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3i69 n PHE 178 N -0.57 3.01 -0.04 7.33 3.72 0.16 -4.97 117.46 126.09 3i69 n PHE 178 Ca 0.16 -4.24 -0.03 0.00 -0.05 0.00 0.00 57.45 53.30 3i69 n PHE 178 Cb 0.30 -0.56 0.21 0.00 -0.94 0.00 0.00 39.48 38.49 3i69 n PHE 178 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3i69 h PRO 179 N 5.29 0.61 -0.12 -1.08 0.13 -1.81 -2.39 132.00 132.64 3i69 h PRO 179 Ca 0.16 -0.18 -0.05 0.00 -0.87 0.00 0.00 66.00 65.07 3i69 h PRO 179 Cb 0.75 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.81 3i69 h PRO 179 CO 0.70 0.70 -0.14 -0.07 -0.23 0.00 0.00 178.00 178.96 3i69 h LEU 180 N 0.57 0.17 -0.06 1.56 3.38 -1.94 0.10 115.31 119.09 3i69 h LEU 180 Ca 0.11 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3i69 h LEU 180 Cb 0.49 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3i69 h LEU 180 CO 0.03 0.34 -0.02 -0.07 0.09 0.00 0.00 178.44 178.80 3i69 h LEU 181 N 0.17 0.11 -0.72 1.67 3.38 -1.82 -1.46 115.31 116.65 3i69 h LEU 181 Ca 0.04 -0.39 0.13 0.00 0.09 0.00 0.00 57.88 57.74 3i69 h LEU 181 Cb 0.36 -0.03 -0.09 0.00 0.09 0.00 0.00 40.66 40.99 3i69 h LEU 181 CO 0.02 0.48 0.28 0.11 0.09 0.00 0.00 178.44 179.42 3i69 h LYS 182 N -0.25 0.42 -0.61 1.13 1.57 -0.99 0.23 116.57 118.07 3i69 h LYS 182 Ca 0.01 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 3i69 h LYS 182 Cb 0.44 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3i69 h LYS 182 CO 0.01 0.28 0.17 0.00 -0.57 0.00 0.00 179.45 179.33 3i69 h ALA 183 N 1.52 1.16 -0.19 3.86 0.00 -0.77 -1.45 119.26 123.39 3i69 h ALA 183 Ca 0.39 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 3i69 h ALA 183 Cb 0.56 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3i69 h ALA 183 CO -0.38 0.58 0.03 1.25 0.00 0.00 0.00 179.25 180.72 3i69 h LEU 184 N 0.90 0.31 -0.39 0.00 5.85 -0.06 -2.15 115.31 119.76 3i69 h LEU 184 Ca 0.20 -0.27 0.07 0.00 0.84 0.00 0.00 57.88 58.72 3i69 h LEU 184 Cb 0.29 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.17 3i69 h LEU 184 CO -0.00 0.50 -0.02 0.50 -0.34 0.00 0.00 178.44 179.08 3i69 h LYS 185 N 0.10 0.08 0.26 1.25 3.64 -0.38 -0.51 116.57 121.01 3i69 h LYS 185 Ca 0.06 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3i69 h LYS 185 Cb 0.33 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3i69 h LYS 185 CO 0.00 0.05 -0.26 1.15 -2.27 0.00 0.00 179.45 178.13 3i69 h THR 186 N 0.09 0.44 -0.10 1.00 2.02 -1.27 -2.21 112.91 112.88 3i69 h THR 186 Ca 0.19 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.37 3i69 h THR 186 Cb 0.27 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3i69 h THR 186 CO -0.33 0.00 0.04 0.03 0.37 0.00 0.00 175.52 175.63 3i69 h ARG 187 N -0.55 0.14 -0.50 6.66 3.08 -1.07 -1.86 114.38 120.28 3i69 h ARG 187 Ca -0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 3i69 h ARG 187 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 3i69 h ARG 187 CO -0.06 0.23 -0.04 0.82 -1.07 0.00 0.00 179.97 179.84 3i69 h ILE 188 N 0.02 1.25 0.00 2.04 1.08 -1.16 -1.19 117.51 119.56 3i69 h ILE 188 Ca 0.03 -1.11 -0.03 0.00 -0.39 0.00 0.00 64.86 63.37 3i69 h ILE 188 Cb 0.14 0.92 -0.00 0.00 -3.07 0.00 0.00 36.82 34.80 3i69 h ILE 188 CO -0.00 0.39 -0.12 0.28 -0.69 0.00 0.00 178.15 178.01 3i69 h SER 189 N 0.79 0.00 0.16 1.72 0.02 -1.28 -2.83 113.55 112.13 3i69 h SER 189 Ca 0.14 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 3i69 h SER 189 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 3i69 h SER 189 CO 0.03 0.12 -0.13 0.59 -1.14 0.00 0.00 176.83 176.30 3i69 n ASN 190 N -3.45 1.07 -4.75 3.07 4.13 -0.47 -2.96 115.26 111.89 3i69 n ASN 190 Ca -0.01 -1.06 -0.37 0.00 1.68 0.00 0.00 54.58 54.82 3i69 n ASN 190 Cb 0.28 0.05 0.03 0.00 -1.54 0.00 0.00 39.78 38.60 3i69 n ASN 190 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3i69 s LEU 191 N -2.30 3.78 0.08 3.41 1.43 -1.06 -4.80 118.68 119.22 3i69 s LEU 191 Ca 0.31 2.51 -0.21 0.00 -1.03 0.00 0.00 54.13 55.70 3i69 s LEU 191 Cb 0.20 -4.43 -0.11 0.00 0.03 0.00 0.00 46.19 41.87 3i69 s LEU 191 CO 0.44 -1.49 1.58 -0.65 0.23 0.00 0.00 176.35 176.46 3i69 h PRO 192 N 1.26 0.22 -0.82 1.29 0.11 -1.90 0.38 132.00 132.54 3i69 h PRO 192 Ca -0.50 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 3i69 h PRO 192 Cb 1.29 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3i69 h PRO 192 CO 0.57 0.35 0.49 1.79 -0.21 0.00 0.00 178.00 180.98 3i69 h THR 193 N 0.05 1.23 0.04 -1.15 1.35 -1.87 -1.72 112.91 110.84 3i69 h THR 193 Ca 0.05 -0.51 -0.22 0.00 -0.55 0.00 0.00 66.41 65.18 3i69 h THR 193 Cb 0.22 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.71 3i69 h THR 193 CO -0.00 0.24 -1.01 0.58 -0.25 0.00 0.00 175.52 175.08 3i69 h VAL 194 N 1.13 1.55 -0.77 6.82 2.07 -1.77 -2.91 116.25 122.37 3i69 h VAL 194 Ca 0.29 -2.95 0.01 0.00 0.82 0.00 0.00 66.70 64.87 3i69 h VAL 194 Cb -0.04 2.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.40 3i69 h VAL 194 CO -0.05 0.86 0.51 0.50 0.02 0.00 0.00 177.57 179.40 3i69 h LYS 195 N 0.07 1.02 -0.01 1.57 3.64 0.02 -1.77 116.57 121.11 3i69 h LYS 195 Ca -0.06 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3i69 h LYS 195 Cb 1.71 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 33.30 3i69 h LYS 195 CO 0.15 0.68 0.00 -0.22 -2.27 0.00 0.00 179.45 177.80 3i69 h LYS 196 N 1.05 0.02 -0.74 1.90 3.64 -1.35 -2.25 116.57 118.84 3i69 h LYS 196 Ca 0.28 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.75 3i69 h LYS 196 Cb -0.11 -0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 31.64 3i69 h LYS 196 CO -0.06 0.20 0.39 0.35 -2.27 0.00 0.00 179.45 178.06 3i69 h PHE 197 N -0.17 0.70 0.00 1.91 3.57 -1.38 -1.04 116.94 120.54 3i69 h PHE 197 Ca 0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3i69 h PHE 197 Cb 0.19 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 3i69 h PHE 197 CO -0.01 0.27 -0.03 -0.07 -2.23 0.00 0.00 178.31 176.24 3i69 h LEU 198 N 0.67 0.00-10.16 0.59 3.38 -1.27 -3.42 115.31 105.09 3i69 h LEU 198 Ca 0.36 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.82 3i69 h LEU 198 Cb 0.35 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.19 3i69 h LEU 198 CO -0.25 0.03 0.39 -1.10 0.09 0.00 0.00 178.44 177.60 3i69 s GLN 199 N -3.73 2.99 0.96 1.13 -0.21 -0.39 -5.00 119.66 115.41 3i69 s GLN 199 Ca 0.00 1.46 -0.11 0.00 0.02 0.00 0.00 55.36 56.73 3i69 s GLN 199 Cb 0.10 -1.97 0.17 0.00 1.00 0.00 0.00 33.01 32.31 3i69 s GLN 199 CO 0.54 -1.11 1.10 -1.25 -2.12 0.00 0.00 175.29 172.45 3i69 s PRO 200 N -3.83 0.67 0.00 2.91 0.04 -1.26 -3.37 135.00 130.16 3i69 s PRO 200 Ca 0.69 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.92 3i69 s PRO 200 Cb -0.22 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3i69 s PRO 200 CO 0.37 -2.76 0.00 0.41 0.04 0.00 0.00 177.00 175.06 3i69 n GLY 201 N -0.02 2.91 3.67 0.56 0.00 -1.26 -5.03 105.19 106.02 3i69 n GLY 201 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3i69 n GLY 201 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i69 s SER 202 N 0.10 2.73 0.00 1.61 1.04 -1.22 -4.89 113.70 113.07 3i69 s SER 202 Ca 0.00 1.30 0.09 0.00 0.48 0.00 0.00 55.95 57.82 3i69 s SER 202 Cb 0.00 -1.98 0.53 0.00 0.10 0.00 0.00 66.02 64.68 3i69 s SER 202 CO 0.00 -3.08 0.98 -2.65 0.98 0.00 0.00 173.24 169.47 3i69 n PRO 203 N -4.15 0.49 -1.99 4.02 -0.02 -1.26 -4.80 135.00 127.28 3i69 n PRO 203 Ca 0.06 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.12 3i69 n PRO 203 Cb 0.56 -1.29 -0.03 0.00 -0.02 0.00 0.00 33.50 32.73 3i69 n PRO 203 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3i69 s ARG 204 N -2.00 4.24 0.14 -0.52 3.52 -1.26 -4.98 118.95 118.08 3i69 s ARG 204 Ca 0.13 2.30 0.03 0.00 -0.13 0.00 0.00 55.73 58.06 3i69 s ARG 204 Cb 0.06 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.24 3i69 s ARG 204 CO 0.10 -0.56 0.24 0.15 -0.81 0.00 0.00 175.30 174.43 3i69 s LYS 205 N 1.01 3.33 0.94 5.12 -0.14 -1.26 -5.02 119.74 123.72 3i69 s LYS 205 Ca 0.68 -0.63 -0.14 0.00 -1.36 0.00 0.00 55.97 54.52 3i69 s LYS 205 Cb -0.42 -2.91 0.16 0.00 -1.68 0.00 0.00 37.83 32.98 3i69 s LYS 205 CO 0.32 0.53 1.19 -1.25 -0.76 0.00 0.00 175.35 175.38 3i69 s PRO 206 N -3.10 0.87 0.42 -1.68 0.04 -1.26 -4.84 135.00 125.45 3i69 s PRO 206 Ca 0.34 0.01 -0.26 0.00 0.04 0.00 0.00 61.00 61.12 3i69 s PRO 206 Cb -0.11 -1.83 -0.10 0.00 0.04 0.00 0.00 34.50 32.50 3i69 s PRO 206 CO 0.27 -2.33 1.42 -2.30 0.04 0.00 0.00 177.00 174.10 3i69 n PRO 207 N -3.80 2.33 -2.23 0.56 -0.02 -1.26 -4.48 135.00 126.10 3i69 n PRO 207 Ca 0.10 0.82 -0.41 0.00 -2.02 0.00 0.00 63.50 61.99 3i69 n PRO 207 Cb 0.60 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 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 -2.26 3.19 1.04 0.52 0.04 -1.26 -4.98 135.00 131.29 3i69 s PRO 208 Ca 0.58 0.75 -0.18 0.00 0.04 0.00 0.00 61.00 62.19 3i69 s PRO 208 Cb -0.47 -4.18 0.24 0.00 0.04 0.00 0.00 34.50 30.13 3i69 s PRO 208 CO 0.60 -2.05 1.28 -0.40 0.04 0.00 0.00 177.00 176.47 3i69 n ASP 209 N 10.32 -0.41 0.24 6.66 5.68 -1.26 -4.87 116.55 132.91 3i69 n ASP 209 Ca 0.17 -1.41 0.11 0.00 -0.50 0.00 0.00 54.79 53.16 3i69 n ASP 209 Cb 0.49 -1.02 0.59 0.00 -1.14 0.00 0.00 41.12 40.05 3i69 n ASP 209 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3i69 h GLU 210 N 0.00 0.00 -0.40 0.11 4.39 -2.00 -2.23 114.58 114.45 3i69 h GLU 210 Ca -0.43 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.16 3i69 h GLU 210 Cb 1.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.84 3i69 h GLU 210 CO 0.30 0.17 -0.22 0.82 -1.16 0.00 0.00 179.01 178.92 3i69 h ILE 211 N 0.00 1.27 0.04 3.13 1.08 -1.99 -2.52 117.51 118.52 3i69 h ILE 211 Ca -0.00 -1.34 -0.00 0.00 -0.39 0.00 0.00 64.86 63.13 3i69 h ILE 211 Cb 0.55 1.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 3i69 h ILE 211 CO 0.02 0.45 -0.02 0.22 -0.69 0.00 0.00 178.15 178.13 3i69 h TYR 212 N 0.69 -0.05 -0.93 1.37 5.03 -1.77 -1.56 116.97 119.76 3i69 h TYR 212 Ca 0.10 -0.00 0.11 0.00 2.58 0.00 0.00 58.73 61.51 3i69 h TYR 212 Cb 0.74 0.02 -0.07 0.00 1.55 0.00 0.00 36.73 38.96 3i69 h TYR 212 CO 0.04 0.18 0.60 0.28 -1.32 0.00 0.00 178.16 177.94 3i69 h VAL 213 N -0.28 0.94 -0.30 1.81 2.07 -1.50 -0.58 116.25 118.42 3i69 h VAL 213 Ca -0.01 -0.31 -0.14 0.00 0.82 0.00 0.00 66.70 67.06 3i69 h VAL 213 Cb 0.26 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 3i69 h VAL 213 CO 0.01 0.17 -0.38 -0.09 0.02 0.00 0.00 177.57 177.29 3i69 h ARG 214 N 0.91 0.70 -0.74 1.57 2.43 -1.33 -2.73 114.38 115.19 3i69 h ARG 214 Ca 0.44 -0.35 -0.05 0.00 -0.81 0.00 0.00 59.98 59.21 3i69 h ARG 214 Cb 0.46 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 3i69 h ARG 214 CO -0.20 0.96 0.25 1.15 -1.51 0.00 0.00 179.97 180.62 3i69 h THR 215 N 0.58 1.26 0.28 0.20 2.02 -0.07 -1.30 112.91 115.86 3i69 h THR 215 Ca 0.05 -0.88 -0.01 0.00 0.77 0.00 0.00 66.41 66.34 3i69 h THR 215 Cb 0.92 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3i69 h THR 215 CO 0.08 0.35 -0.13 0.58 0.37 0.00 0.00 175.52 176.77 3i69 h VAL 216 N 1.10 0.72 -1.01 3.16 2.07 -1.40 -3.16 116.25 117.73 3i69 h VAL 216 Ca 0.24 -0.71 0.23 0.00 0.82 0.00 0.00 66.70 67.28 3i69 h VAL 216 Cb 0.28 1.08 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 3i69 h VAL 216 CO -0.01 0.14 0.63 1.88 0.02 0.00 0.00 177.57 180.23 3i69 h TYR 217 N -0.78 0.79 0.00 1.57 0.05 -1.43 0.30 116.97 117.48 3i69 h TYR 217 Ca -0.04 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.76 3i69 h TYR 217 Cb 0.51 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 3i69 h TYR 217 CO 0.04 0.12 -0.02 -0.91 -1.05 0.00 0.00 178.16 176.34 3i69 h ASN 218 N 0.52 0.00 0.48 3.88 4.21 -1.20 -2.25 115.58 121.23 3i69 h ASN 218 Ca 0.58 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 58.05 3i69 h ASN 218 Cb 1.27 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.46 3i69 h ASN 218 CO -0.33 0.02 -1.55 -0.38 -1.29 0.00 0.00 177.43 173.90 3i69 n ILE 219 N -3.50 0.48 -0.22 2.81 5.41 0.06 -4.69 119.36 119.71 3i69 n ILE 219 Ca -0.03 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 63.16 3i69 n ILE 219 Cb 0.11 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.79 3i69 n ILE 219 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04