#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i69 n GLU 3 N 0.00 -0.19 -2.47 0.00 4.71 -1.26 -5.09 120.64 116.33 3i69 n GLU 3 Ca 0.00 -2.18 -0.38 0.00 -0.01 0.00 0.00 57.16 54.59 3i69 n GLU 3 Cb 0.00 -0.66 -0.04 0.00 -1.01 0.00 0.00 31.44 29.73 3i69 n GLU 3 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3i69 s LYS 4 N -4.81 4.24 0.32 3.49 1.02 -1.26 -4.79 119.74 117.97 3i69 s LYS 4 Ca 0.57 1.65 -0.29 0.00 0.02 0.00 0.00 55.97 57.92 3i69 s LYS 4 Cb -0.03 -2.72 -0.12 0.00 -0.52 0.00 0.00 37.83 34.44 3i69 s LYS 4 CO 0.38 -0.10 1.31 -2.30 -0.92 0.00 0.00 175.35 173.72 3i69 n PRO 5 N 0.24 2.12 -4.07 -1.68 -0.02 -1.26 -4.75 135.00 125.58 3i69 n PRO 5 Ca 0.03 0.75 -0.33 0.00 -2.02 0.00 0.00 63.50 61.93 3i69 n PRO 5 Cb 0.48 -2.34 -0.15 0.00 -0.02 0.00 0.00 33.50 31.46 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 -1.61 2.63 -0.27 -0.52 2.20 -0.49 -1.26 119.74 120.42 3i69 s LYS 6 Ca 0.58 -1.09 -0.16 0.00 -0.36 0.00 0.00 55.97 54.94 3i69 s LYS 6 Cb -0.58 -2.78 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 3i69 s LYS 6 CO 0.60 -0.40 0.43 -0.51 -0.36 0.00 0.00 175.35 175.10 3i69 s LEU 7 N 1.21 4.06 -0.44 5.43 1.02 0.10 -1.65 118.68 128.40 3i69 s LEU 7 Ca -0.02 0.36 -0.15 0.00 0.02 0.00 0.00 54.13 54.34 3i69 s LEU 7 Cb -0.17 -2.51 0.05 0.00 0.02 0.00 0.00 46.19 43.58 3i69 s LEU 7 CO -0.08 -0.23 0.35 -1.00 0.02 0.00 0.00 176.35 175.41 3i69 s HIS 8 N 2.17 3.24 0.40 0.29 3.76 0.95 -0.82 115.29 125.28 3i69 s HIS 8 Ca 0.17 -0.80 -0.15 0.00 -0.15 0.00 0.00 55.06 54.14 3i69 s HIS 8 Cb -0.16 -2.91 0.06 0.00 1.11 0.00 0.00 32.58 30.68 3i69 s HIS 8 CO 0.10 -0.71 0.79 -0.47 -0.85 0.00 0.00 174.74 173.60 3i69 s TYR 9 N 1.65 0.18 0.71 1.40 5.04 -1.23 -3.12 117.35 121.99 3i69 s TYR 9 Ca 0.04 -0.88 -0.15 0.00 -2.44 0.00 0.00 57.07 53.65 3i69 s TYR 9 Cb -0.22 0.84 0.03 0.00 0.35 0.00 0.00 41.96 42.96 3i69 s TYR 9 CO 0.08 -1.61 1.16 -0.06 -1.34 0.00 0.00 175.55 173.78 3i69 s PHE 10 N -2.11 2.27 -1.24 4.97 2.99 -1.26 0.13 117.98 123.73 3i69 s PHE 10 Ca 0.16 1.59 -0.20 0.00 0.00 0.00 0.00 56.93 58.48 3i69 s PHE 10 Cb -0.05 -3.33 -0.01 0.00 0.00 0.00 0.00 43.02 39.62 3i69 s PHE 10 CO 0.12 -2.23 1.84 -1.71 -0.00 0.00 0.00 175.22 173.24 3i69 n ASN 11 N -2.70 3.97 0.00 1.36 2.85 -1.26 -4.78 115.26 114.70 3i69 n ASN 11 Ca 0.12 -2.81 0.00 0.00 -0.11 0.00 0.00 54.58 51.78 3i69 n ASN 11 Cb 0.51 -1.74 0.00 0.00 1.24 0.00 0.00 39.78 39.79 3i69 n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i69 n GLY 12 N 5.57 -0.33 0.00 8.20 0.00 -1.26 -5.02 105.19 112.35 3i69 n GLY 12 Ca 0.47 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.07 0.00 0.00 1.61 1.74 -1.26 -4.75 116.66 113.93 3i69 n ARG 13 Ca 0.00 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.37 3i69 n ARG 13 Cb 0.00 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 -0.19 2.06 0.15 -0.13 0.00 -1.26 -1.88 105.19 103.94 3i69 n GLY 14 Ca 0.00 -0.11 0.13 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 14.00 0.54 0.07 1.61 1.74 -1.26 -3.90 116.66 129.47 3i69 n ARG 15 Ca 0.00 -0.30 0.11 0.00 -0.77 0.00 0.00 57.85 56.90 3i69 n ARG 15 Cb 0.00 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 29.90 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 -0.97 0.62 -0.29 5.56 1.56 -1.09 -4.53 117.12 117.98 3i69 n MET 16 Ca 0.10 0.03 -0.03 0.00 -0.27 0.00 0.00 57.70 57.54 3i69 n MET 16 Cb 0.33 -1.74 0.13 0.00 2.15 0.00 0.00 33.22 34.10 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 1.16 -0.86 2.12 4.57 -1.49 -1.52 114.58 118.55 3i69 h GLU 17 Ca 0.00 -0.14 0.01 0.00 -1.18 0.00 0.00 59.36 58.05 3i69 h GLU 17 Cb 1.00 -0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 3i69 h GLU 17 CO 0.00 0.85 0.57 0.66 -1.18 0.00 0.00 179.01 179.91 3i69 h SER 18 N 1.16 0.99 -0.72 1.04 4.64 -1.84 -0.85 113.55 117.96 3i69 h SER 18 Ca 0.29 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3i69 h SER 18 Cb 0.04 -0.25 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 3i69 h SER 18 CO -0.05 0.71 0.46 0.74 -0.87 0.00 0.00 176.83 177.83 3i69 h THR 19 N 1.16 1.19 -0.19 2.95 2.02 -1.59 -1.16 112.91 117.30 3i69 h THR 19 Ca 0.32 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3i69 h THR 19 Cb -0.13 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.42 3i69 h THR 19 CO -0.07 0.19 0.03 0.03 0.37 0.00 0.00 175.52 176.07 3i69 h ARG 20 N 0.99 0.31 -0.64 6.66 3.08 -0.64 -1.25 114.38 122.90 3i69 h ARG 20 Ca 0.26 -0.09 0.10 0.00 0.07 0.00 0.00 59.98 60.33 3i69 h ARG 20 Cb -0.08 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 29.86 3i69 h ARG 20 CO -0.05 0.48 0.25 -1.49 -1.07 0.00 0.00 179.97 178.09 3i69 h TRP 21 N 0.10 0.44 -0.09 3.04 4.06 -0.80 -1.57 115.95 121.12 3i69 h TRP 21 Ca 0.06 0.03 -0.15 0.00 2.06 0.00 0.00 58.89 60.89 3i69 h TRP 21 Cb 0.32 -0.10 0.01 0.00 -1.00 0.00 0.00 29.16 28.39 3i69 h TRP 21 CO 0.02 0.11 -0.53 1.25 -3.56 0.00 0.00 178.44 175.73 3i69 h LEU 22 N 0.43 0.62 -0.28 -4.49 5.85 -1.01 0.17 115.31 116.62 3i69 h LEU 22 Ca 0.33 -0.65 0.02 0.00 0.84 0.00 0.00 57.88 58.41 3i69 h LEU 22 Cb 0.42 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3i69 h LEU 22 CO -0.32 1.18 0.14 -0.07 -0.34 0.00 0.00 178.44 179.02 3i69 h LEU 23 N 0.11 0.20 -0.65 2.25 3.38 -1.22 -1.37 115.31 118.01 3i69 h LEU 23 Ca -0.04 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 3i69 h LEU 23 Cb 1.18 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 3i69 h LEU 23 CO 0.11 0.15 -0.06 0.00 0.09 0.00 0.00 178.44 178.73 3i69 h ALA 24 N 1.15 0.86 -0.29 1.53 0.00 -1.27 -1.00 119.26 120.23 3i69 h ALA 24 Ca 0.12 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3i69 h ALA 24 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3i69 h ALA 24 CO -0.08 0.66 0.19 0.00 0.00 0.00 0.00 179.25 180.02 3i69 h ALA 25 N 1.03 1.89 -0.07 0.00 0.00 -0.41 -2.27 119.26 119.43 3i69 h ALA 25 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i69 h ALA 25 Cb 0.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i69 h ALA 25 CO 0.04 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3i69 n ALA 26 N -2.51 2.56 -1.32 0.00 0.00 -0.54 -4.68 120.51 114.02 3i69 n ALA 26 Ca 0.02 -0.45 -0.04 0.00 0.00 0.00 0.00 53.44 52.97 3i69 n ALA 26 Cb 0.13 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.42 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 1.14 0.56 3.71 0.00 0.00 -0.85 -5.03 105.19 104.72 3i69 n GLY 27 Ca 0.18 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 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 -2.15 5.35 0.00 1.61 1.01 -0.43 -5.03 120.40 120.77 3i69 s VAL 28 Ca 0.00 0.36 -0.28 0.00 0.00 0.00 0.00 61.98 62.06 3i69 s VAL 28 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3i69 s VAL 28 CO 0.00 0.39 0.87 -1.61 0.00 0.00 0.00 175.10 174.75 3i69 s GLU 29 N 0.60 4.53 0.30 2.72 2.02 -1.26 -4.33 118.70 123.28 3i69 s GLU 29 Ca 0.12 1.23 0.03 0.00 0.02 0.00 0.00 54.97 56.36 3i69 s GLU 29 Cb -0.12 -3.43 -0.06 0.00 0.10 0.00 0.00 34.13 30.62 3i69 s GLU 29 CO 0.02 0.05 0.08 -0.59 0.02 0.00 0.00 175.26 174.84 3i69 s PHE 30 N 0.70 1.79 0.23 1.61 -0.12 -1.26 -4.19 117.98 116.72 3i69 s PHE 30 Ca 0.46 -1.07 0.08 0.00 -0.05 0.00 0.00 56.93 56.34 3i69 s PHE 30 Cb -0.20 -1.12 -0.05 0.00 -0.63 0.00 0.00 43.02 41.02 3i69 s PHE 30 CO 0.25 -0.15 -0.13 -1.21 -0.05 0.00 0.00 175.22 173.92 3i69 s GLU 31 N -3.93 1.40 -0.05 1.99 2.02 -0.39 -4.99 118.70 114.75 3i69 s GLU 31 Ca 0.36 -1.64 0.04 0.00 0.02 0.00 0.00 54.97 53.75 3i69 s GLU 31 Cb 0.08 -1.19 0.00 0.00 0.10 0.00 0.00 34.13 33.12 3i69 s GLU 31 CO 0.15 0.17 -0.16 -1.21 0.02 0.00 0.00 175.26 174.23 3i69 s GLU 32 N -3.65 1.82 -0.47 1.61 2.02 -1.26 0.01 118.70 118.78 3i69 s GLU 32 Ca 0.24 -0.57 -0.06 0.00 0.02 0.00 0.00 54.97 54.60 3i69 s GLU 32 Cb -0.00 -1.54 0.12 0.00 0.10 0.00 0.00 34.13 32.81 3i69 s GLU 32 CO 0.09 0.18 0.31 0.21 0.02 0.00 0.00 175.26 176.07 3i69 s LYS 33 N 0.21 2.33 -0.01 1.61 2.20 0.00 -4.91 119.74 121.17 3i69 s LYS 33 Ca -0.07 -1.89 -0.30 0.00 -0.36 0.00 0.00 55.97 53.35 3i69 s LYS 33 Cb -0.13 -3.79 -0.05 0.00 -1.51 0.00 0.00 37.83 32.36 3i69 s LYS 33 CO 0.03 -1.15 1.33 -0.06 -0.36 0.00 0.00 175.35 175.15 3i69 s PHE 34 N 1.09 2.98 -0.26 4.03 0.08 -1.26 -3.47 117.98 121.18 3i69 s PHE 34 Ca 0.08 0.96 -0.29 0.00 0.12 0.00 0.00 56.93 57.80 3i69 s PHE 34 Cb -0.24 -3.58 -0.03 0.00 -0.57 0.00 0.00 43.02 38.60 3i69 s PHE 34 CO -0.03 -2.07 1.73 0.42 -0.10 0.00 0.00 175.22 175.17 3i69 s ILE 35 N 2.25 3.55 -0.53 0.64 1.01 0.12 -4.87 121.20 123.37 3i69 s ILE 35 Ca 0.61 0.60 0.22 0.00 0.00 0.00 0.00 60.65 62.08 3i69 s ILE 35 Cb -0.30 -3.63 -0.21 0.00 0.01 0.00 0.00 42.46 38.33 3i69 s ILE 35 CO 0.25 -0.33 0.82 0.29 0.00 0.00 0.00 174.94 175.97 3i69 n LYS 36 N 8.03 0.33 -3.85 2.79 4.76 -1.26 -4.09 118.16 124.88 3i69 n LYS 36 Ca 0.21 -0.06 -0.09 0.00 -2.87 0.00 0.00 58.31 55.50 3i69 n LYS 36 Cb 0.46 -1.55 -0.05 0.00 -1.84 0.00 0.00 35.03 32.05 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 -3.89 -0.16 0.45 4.39 1.04 -1.26 -5.03 113.70 109.24 3i69 s SER 37 Ca 0.01 -0.66 0.15 0.00 0.48 0.00 0.00 55.95 55.93 3i69 s SER 37 Cb 0.15 0.55 1.08 0.00 0.10 0.00 0.00 66.02 67.90 3i69 s SER 37 CO 0.85 -1.05 1.99 0.00 0.98 0.00 0.00 173.24 176.02 3i69 h ALA 38 N 2.28 2.07 -0.36 5.32 0.00 -1.85 -2.82 119.26 123.90 3i69 h ALA 38 Ca -0.28 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 3i69 h ALA 38 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 3i69 h ALA 38 CO 0.39 -0.20 -0.10 0.93 0.00 0.00 0.00 179.25 180.27 3i69 h GLU 39 N 0.34 0.71 -0.84 0.00 3.07 -1.95 -1.70 114.58 114.22 3i69 h GLU 39 Ca 0.26 -0.28 0.16 0.00 -0.50 0.00 0.00 59.36 59.01 3i69 h GLU 39 Cb 0.57 -0.04 -0.10 0.00 -0.84 0.00 0.00 28.75 28.34 3i69 h GLU 39 CO -0.06 0.87 0.39 -0.44 -1.40 0.00 0.00 179.01 178.37 3i69 h ASP 40 N 0.50 0.42 0.17 1.42 3.32 -1.90 -1.15 116.42 119.20 3i69 h ASP 40 Ca 0.09 0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.24 3i69 h ASP 40 Cb 0.61 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.22 3i69 h ASP 40 CO 0.04 0.14 -0.08 0.25 -1.72 0.00 0.00 179.24 177.87 3i69 h LEU 41 N 0.53 -0.19 -2.11 1.55 5.85 -1.45 -3.00 115.31 116.48 3i69 h LEU 41 Ca 0.47 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.91 3i69 h LEU 41 Cb 0.74 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3i69 h LEU 41 CO -0.41 0.27 0.11 0.44 -0.34 0.00 0.00 178.44 178.51 3i69 h ASP 42 N -0.71 0.00 -0.47 1.25 5.19 -1.04 0.27 116.42 120.91 3i69 h ASP 42 Ca -0.02 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.28 3i69 h ASP 42 Cb 0.50 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 3i69 h ASP 42 CO 0.04 0.00 -0.11 0.50 -3.12 0.00 0.00 179.24 176.55 3i69 h LYS 43 N 0.00 0.91 -0.05 3.56 1.63 -1.24 -1.11 116.57 120.27 3i69 h LYS 43 Ca 0.07 -0.35 -0.01 0.00 -0.85 0.00 0.00 60.65 59.51 3i69 h LYS 43 Cb 0.29 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 3i69 h LYS 43 CO -0.00 1.00 -0.00 -0.07 -3.45 0.00 0.00 179.45 176.93 3i69 h LEU 44 N 0.76 0.10 -0.12 5.20 3.38 -0.42 -1.29 115.31 122.92 3i69 h LEU 44 Ca 0.12 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3i69 h LEU 44 Cb 0.66 -0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 3i69 h LEU 44 CO 0.05 0.40 -0.49 0.03 0.09 0.00 0.00 178.44 178.51 3i69 h ARG 45 N -0.21 -0.54 0.00 1.13 3.08 -0.96 -1.83 114.38 115.05 3i69 h ARG 45 Ca 0.02 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3i69 h ARG 45 Cb 0.35 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3i69 h ARG 45 CO 0.00 -0.36 0.00 -0.97 -1.07 0.00 0.00 179.97 177.57 3i69 h ASN 46 N -0.56 0.00 -0.02 7.04 -1.24 -1.21 -1.47 115.58 118.11 3i69 h ASN 46 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.06 3i69 h ASN 46 Cb 0.67 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.72 3i69 h ASN 46 CO -0.41 0.00 0.00 0.47 -1.29 0.00 0.00 177.43 176.20 3i69 n ASP 47 N -2.91 0.44 -1.13 1.15 9.92 -0.49 -4.93 116.55 118.61 3i69 n ASP 47 Ca 0.03 -1.30 -0.09 0.00 -0.53 0.00 0.00 54.79 52.90 3i69 n ASP 47 Cb 0.40 -0.01 0.00 0.00 -0.64 0.00 0.00 41.12 40.87 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 0.98 0.06 0.05 0.44 0.00 -0.55 -4.94 105.19 101.23 3i69 n GLY 48 Ca 0.19 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.93 0.43 -3.96 1.61 4.02 -0.71 -4.79 117.16 109.84 3i69 n TYR 49 Ca -0.09 0.13 -0.31 0.00 -0.01 0.00 0.00 57.90 57.62 3i69 n TYR 49 Cb 0.57 -0.57 -0.15 0.00 -0.02 0.00 0.00 39.34 39.17 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 -4.01 3.69 0.38 7.72 1.43 -1.26 -4.91 118.68 121.73 3i69 s LEU 50 Ca 0.07 -1.77 0.12 0.00 -1.03 0.00 0.00 54.13 51.52 3i69 s LEU 50 Cb 0.14 -1.39 0.93 0.00 0.03 0.00 0.00 46.19 45.90 3i69 s LEU 50 CO 0.73 -0.33 1.87 -0.03 0.23 0.00 0.00 176.35 178.82 3i69 h MET 51 N 7.79 0.55 0.00 1.70 1.85 -1.86 -1.90 114.93 123.05 3i69 h MET 51 Ca -0.11 -0.03 -0.00 0.00 -0.61 0.00 0.00 59.70 58.95 3i69 h MET 51 Cb 1.03 -0.12 -0.00 0.00 0.43 0.00 0.00 31.60 32.93 3i69 h MET 51 CO 0.48 0.37 -0.37 1.19 -0.40 0.00 0.00 176.91 178.18 3i69 n PHE 52 N -4.54 0.00 -0.96 1.39 3.72 -1.26 -4.97 117.46 110.84 3i69 n PHE 52 Ca 0.17 -1.36 0.00 0.00 -0.05 0.00 0.00 57.45 56.22 3i69 n PHE 52 Cb 0.54 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.19 -1.15 -5.04 -1.08 6.02 -0.72 -4.97 117.38 109.26 3i69 n GLN 53 Ca 0.18 0.29 -0.30 0.00 -0.01 0.00 0.00 57.00 57.16 3i69 n GLN 53 Cb 0.68 -4.24 -0.15 0.00 1.02 0.00 0.00 30.24 27.55 3i69 n GLN 53 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3i69 s GLN 54 N -1.22 1.86 0.08 -1.09 -0.21 -1.26 -4.93 119.66 112.89 3i69 s GLN 54 Ca 0.00 -0.99 0.01 0.00 0.02 0.00 0.00 55.36 54.40 3i69 s GLN 54 Cb 0.00 -1.92 -0.04 0.00 1.00 0.00 0.00 33.01 32.05 3i69 s GLN 54 CO 0.00 0.51 0.20 0.14 -2.12 0.00 0.00 175.29 174.02 3i69 s VAL 55 N -0.70 5.20 0.57 1.09 -7.23 -1.26 -4.66 120.40 113.40 3i69 s VAL 55 Ca 0.10 -0.53 -0.21 0.00 -1.81 0.00 0.00 61.98 59.53 3i69 s VAL 55 Cb -0.10 -3.56 -0.04 0.00 0.56 0.00 0.00 36.38 33.24 3i69 s VAL 55 CO 0.01 0.09 1.30 -2.16 -0.31 0.00 0.00 175.10 174.03 3i69 s PRO 56 N -2.64 3.05 -0.08 4.82 0.04 -1.26 -5.02 135.00 133.91 3i69 s PRO 56 Ca 0.34 2.09 -0.05 0.00 0.04 0.00 0.00 61.00 63.42 3i69 s PRO 56 Cb -0.12 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.32 3i69 s PRO 56 CO 0.27 -1.22 0.20 1.41 0.04 0.00 0.00 177.00 177.70 3i69 s MET 57 N -3.05 0.18 -0.14 4.56 1.75 -1.18 -3.97 119.30 117.44 3i69 s MET 57 Ca 0.74 0.39 -0.00 0.00 -1.25 0.00 0.00 55.69 55.57 3i69 s MET 57 Cb -0.37 -0.06 0.03 0.00 2.84 0.00 0.00 34.83 37.27 3i69 s MET 57 CO 0.43 -0.12 -0.08 0.08 -0.65 0.00 0.00 175.02 174.68 3i69 s VAL 58 N 0.83 1.19 -0.38 10.11 1.01 -0.80 -0.04 120.40 132.33 3i69 s VAL 58 Ca -0.06 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.14 3i69 s VAL 58 Cb -0.08 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 35.09 3i69 s VAL 58 CO -0.05 0.30 1.06 -1.61 0.00 0.00 0.00 175.10 174.81 3i69 s GLU 59 N 1.63 3.92 -0.13 2.72 2.02 -0.66 -2.00 118.70 126.19 3i69 s GLU 59 Ca 0.03 0.82 -0.07 0.00 0.02 0.00 0.00 54.97 55.78 3i69 s GLU 59 Cb -0.14 -3.80 0.05 0.00 0.10 0.00 0.00 34.13 30.34 3i69 s GLU 59 CO -0.09 -1.06 0.30 -1.50 0.02 0.00 0.00 175.26 172.94 3i69 s ILE 60 N 3.86 -0.05 -1.48 -1.63 2.07 -0.34 -1.39 121.20 122.23 3i69 s ILE 60 Ca 0.45 0.13 -0.06 0.00 -1.41 0.00 0.00 60.65 59.76 3i69 s ILE 60 Cb -0.11 -0.46 0.05 0.00 0.13 0.00 0.00 42.46 42.07 3i69 s ILE 60 CO 0.21 0.06 0.60 0.47 -1.91 0.00 0.00 174.94 174.37 3i69 n ASP 61 N 4.28 -1.65 0.00 4.50 8.00 -1.26 -1.31 116.55 129.11 3i69 n ASP 61 Ca -0.24 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.30 3i69 n ASP 61 Cb 0.54 -3.18 0.00 0.00 -0.02 0.00 0.00 41.12 38.45 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 -1.77 1.46 3.71 0.44 0.00 -1.26 -5.02 105.19 102.75 3i69 n GLY 62 Ca -0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.05 2.59 -0.63 1.61 -1.94 -0.43 -5.07 119.30 115.38 3i69 s MET 63 Ca 0.00 -1.02 -0.03 0.00 -1.71 0.00 0.00 55.69 52.93 3i69 s MET 63 Cb 0.00 -2.46 0.16 0.00 2.01 0.00 0.00 34.83 34.54 3i69 s MET 63 CO 0.00 0.47 0.45 0.15 -0.01 0.00 0.00 175.02 176.07 3i69 s LYS 64 N -3.01 2.59 -0.17 2.03 1.02 -1.26 -1.20 119.74 119.74 3i69 s LYS 64 Ca 0.29 -2.54 -0.17 0.00 0.02 0.00 0.00 55.97 53.58 3i69 s LYS 64 Cb -0.10 -3.74 -0.04 0.00 -0.52 0.00 0.00 37.83 33.43 3i69 s LYS 64 CO 0.20 -1.18 0.42 -0.51 -0.92 0.00 0.00 175.35 173.37 3i69 s LEU 65 N -0.07 4.20 0.43 3.17 1.43 -0.85 -4.85 118.68 122.14 3i69 s LEU 65 Ca 0.17 0.63 0.06 0.00 -1.03 0.00 0.00 54.13 53.96 3i69 s LEU 65 Cb -0.20 -2.57 -0.05 0.00 0.03 0.00 0.00 46.19 43.39 3i69 s LEU 65 CO -0.03 -0.04 0.11 0.68 0.23 0.00 0.00 176.35 177.29 3i69 s VAL 66 N 1.02 2.03 -0.00 -1.59 -7.23 -1.26 -1.90 120.40 111.48 3i69 s VAL 66 Ca 0.21 -1.84 -0.00 0.00 -1.81 0.00 0.00 61.98 58.54 3i69 s VAL 66 Cb -0.15 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.92 3i69 s VAL 66 CO 0.08 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 174.88 3i69 n GLN 67 N -1.16 -0.93 -0.33 4.82 1.13 -1.25 -4.51 117.38 115.15 3i69 n GLN 67 Ca -0.05 1.09 0.20 0.00 -1.94 0.00 0.00 57.00 56.30 3i69 n GLN 67 Cb 0.66 -1.33 0.42 0.00 0.11 0.00 0.00 30.24 30.09 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 0.77 0.36 0.00 5.09 2.02 -1.90 0.59 112.91 119.84 3i69 h THR 68 Ca -0.01 -0.13 -0.12 0.00 0.77 0.00 0.00 66.41 66.92 3i69 h THR 68 Cb 0.03 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 3i69 h THR 68 CO 0.00 0.07 -0.58 0.03 0.37 0.00 0.00 175.52 175.41 3i69 h ARG 69 N 0.37 0.00 -0.19 6.66 3.08 -1.97 -1.64 114.38 120.69 3i69 h ARG 69 Ca 0.68 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.68 3i69 h ARG 69 Cb 1.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 3i69 h ARG 69 CO -0.58 0.58 -0.07 0.00 -1.07 0.00 0.00 179.97 178.82 3i69 h ALA 70 N 1.42 0.27 0.24 0.04 0.00 -1.12 -1.54 119.26 118.56 3i69 h ALA 70 Ca -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3i69 h ALA 70 Cb 1.18 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3i69 h ALA 70 CO 0.08 0.07 -0.48 0.82 0.00 0.00 0.00 179.25 179.73 3i69 h ILE 71 N 0.09 0.06 -0.39 0.00 2.04 -1.37 -2.33 117.51 115.60 3i69 h ILE 71 Ca 0.04 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 3i69 h ILE 71 Cb 0.55 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 3i69 h ILE 71 CO 0.02 0.00 0.18 -0.07 0.00 0.00 0.00 178.15 178.28 3i69 h LEU 72 N -0.80 0.52 -0.43 1.44 3.38 -1.29 -2.37 115.31 115.76 3i69 h LEU 72 Ca -0.01 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.90 3i69 h LEU 72 Cb 0.77 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 3i69 h LEU 72 CO -0.20 0.52 -0.04 0.78 0.09 0.00 0.00 178.44 179.58 3i69 h ASN 73 N 0.49 -0.26 -0.56 -0.43 2.35 -1.26 -0.33 115.58 115.58 3i69 h ASN 73 Ca 0.13 0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3i69 h ASN 73 Cb 0.14 0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 3i69 h ASN 73 CO -0.02 -0.09 0.35 0.22 -1.65 0.00 0.00 177.43 176.24 3i69 h TYR 74 N 0.07 0.73 -0.03 1.19 3.20 -0.97 0.33 116.97 121.49 3i69 h TYR 74 Ca 0.21 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 3i69 h TYR 74 Cb 0.32 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 3i69 h TYR 74 CO -0.32 0.49 0.01 0.82 -1.64 0.00 0.00 178.16 177.53 3i69 h ILE 75 N 0.76 1.14 -0.75 1.81 2.04 -1.25 -0.13 117.51 121.13 3i69 h ILE 75 Ca 0.20 -0.42 0.06 0.00 1.00 0.00 0.00 64.86 65.70 3i69 h ILE 75 Cb -0.03 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3i69 h ILE 75 CO -0.04 0.11 0.44 0.00 0.00 0.00 0.00 178.15 178.67 3i69 h ALA 76 N 0.84 1.01 -0.31 1.87 0.00 -0.55 -0.67 119.26 121.45 3i69 h ALA 76 Ca 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i69 h ALA 76 Cb 0.17 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i69 h ALA 76 CO -0.00 0.15 0.07 1.03 0.00 0.00 0.00 179.25 180.50 3i69 h SER 77 N 0.81 0.48 -0.58 0.00 0.87 -0.22 0.16 113.55 115.07 3i69 h SER 77 Ca 0.33 -0.24 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 3i69 h SER 77 Cb 0.17 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3i69 h SER 77 CO -0.17 0.60 0.17 0.50 -0.53 0.00 0.00 176.83 177.39 3i69 h LYS 78 N 0.34 0.92 -0.89 2.24 3.64 -0.35 -2.96 116.57 119.51 3i69 h LYS 78 Ca 0.10 -0.21 -0.60 0.00 -1.27 0.00 0.00 60.65 58.67 3i69 h LYS 78 Cb 0.31 -0.13 -0.32 0.00 -0.41 0.00 0.00 32.23 31.68 3i69 h LYS 78 CO 0.00 0.83 0.33 0.66 -2.27 0.00 0.00 179.45 179.01 3i69 n TYR 79 N -4.40 2.96 -4.23 1.91 4.01 -0.32 -4.94 117.16 112.15 3i69 n TYR 79 Ca 0.03 -2.64 -0.33 0.00 -0.16 0.00 0.00 57.90 54.79 3i69 n TYR 79 Cb 0.22 -1.05 -0.05 0.00 -0.31 0.00 0.00 39.34 38.14 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 -0.89 -1.32 -0.58 7.72 3.02 -1.12 -4.81 115.26 117.28 3i69 n ASN 80 Ca 0.56 -1.11 0.06 0.00 -0.03 0.00 0.00 54.58 54.06 3i69 n ASN 80 Cb 0.84 -2.38 0.19 0.00 -0.61 0.00 0.00 39.78 37.82 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 -4.38 3.13 -2.10 3.41 4.77 0.54 -4.67 117.00 117.70 3i69 n LEU 81 Ca -0.11 -3.35 -0.12 0.00 -0.03 0.00 0.00 56.01 52.40 3i69 n LEU 81 Cb 0.58 -0.52 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 3i69 n LEU 81 CO 0.85 0.93 0.13 0.00 -1.33 0.00 0.00 177.39 177.97 3i69 n TYR 82 N -1.09 1.87 -4.52 -1.77 4.19 -1.15 -0.58 117.16 114.11 3i69 n TYR 82 Ca 0.21 -2.03 0.00 0.00 3.31 0.00 0.00 57.90 59.39 3i69 n TYR 82 Cb 0.79 -0.29 0.00 0.00 0.49 0.00 0.00 39.34 40.33 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 -0.65 -1.41 0.00 2.98 0.00 -1.26 -4.52 105.19 100.33 3i69 n GLY 83 Ca 0.28 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.98 4.40 -3.83 1.61 2.85 -1.26 -5.00 118.16 115.96 3i69 n LYS 84 Ca 0.00 -0.10 -0.07 0.00 -1.05 0.00 0.00 58.31 57.09 3i69 n LYS 84 Cb 0.00 -0.54 0.01 0.00 -0.65 0.00 0.00 35.03 33.85 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 -0.66 -0.06 0.45 -5.58 1.47 -1.26 -5.07 116.67 105.96 3i69 s ASP 85 Ca 0.00 -0.93 0.13 0.00 1.18 0.00 0.00 52.55 52.93 3i69 s ASP 85 Cb 0.00 0.76 1.02 0.00 -0.34 0.00 0.00 42.92 44.35 3i69 s ASP 85 CO 0.00 -1.48 2.03 -0.29 0.68 0.00 0.00 175.17 176.11 3i69 h ILE 86 N 2.00 1.10 0.18 2.11 2.10 -1.98 -2.08 117.51 120.93 3i69 h ILE 86 Ca -0.28 -0.40 -0.26 0.00 1.08 0.00 0.00 64.86 65.00 3i69 h ILE 86 Cb 1.24 1.08 0.03 0.00 -1.09 0.00 0.00 36.82 38.08 3i69 h ILE 86 CO 0.35 0.13 -1.12 0.11 -1.08 0.00 0.00 178.15 176.54 3i69 h LYS 87 N 0.13 0.44 -0.75 2.19 1.57 -1.99 -2.35 116.57 115.81 3i69 h LYS 87 Ca 0.03 -0.72 0.07 0.00 -1.87 0.00 0.00 60.65 58.16 3i69 h LYS 87 Cb 0.18 0.26 -0.06 0.00 0.08 0.00 0.00 32.23 32.69 3i69 h LYS 87 CO 0.01 1.33 0.43 0.93 -0.57 0.00 0.00 179.45 181.59 3i69 h GLU 88 N -0.08 0.76 -0.59 3.15 5.08 -1.92 -1.29 114.58 119.69 3i69 h GLU 88 Ca -0.19 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 3i69 h GLU 88 Cb 1.87 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 30.92 3i69 h GLU 88 CO 0.21 0.50 0.31 0.00 -1.00 0.00 0.00 179.01 179.03 3i69 h ARG 89 N 0.78 0.82 0.12 2.33 3.08 -1.41 0.37 114.38 120.47 3i69 h ARG 89 Ca 0.34 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.29 3i69 h ARG 89 Cb 0.22 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.11 3i69 h ARG 89 CO -0.19 0.61 -0.06 0.00 -1.07 0.00 0.00 179.97 179.26 3i69 h ALA 90 N 1.52 -0.16 -0.20 0.04 0.00 -0.75 0.20 119.26 119.92 3i69 h ALA 90 Ca 0.21 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3i69 h ALA 90 Cb 0.04 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3i69 h ALA 90 CO -0.03 -0.50 -0.01 -0.07 0.00 0.00 0.00 179.25 178.64 3i69 h LEU 91 N -0.33 -0.09 -0.97 0.00 3.38 -1.12 -0.23 115.31 115.95 3i69 h LEU 91 Ca -0.02 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.05 3i69 h LEU 91 Cb 0.27 0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3i69 h LEU 91 CO 0.03 -0.02 0.62 0.40 0.09 0.00 0.00 178.44 179.56 3i69 h ILE 92 N 0.05 1.11 -0.16 1.22 2.04 -0.03 -1.56 117.51 120.19 3i69 h ILE 92 Ca 0.09 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 3i69 h ILE 92 Cb 0.12 -0.15 -0.00 0.00 -0.74 0.00 0.00 36.82 36.05 3i69 h ILE 92 CO -0.16 0.21 -0.21 0.44 0.00 0.00 0.00 178.15 178.43 3i69 h ASP 93 N 1.16 0.45 -0.63 1.72 3.32 -0.19 -1.65 116.42 120.60 3i69 h ASP 93 Ca 0.41 -0.51 0.09 0.00 0.02 0.00 0.00 57.03 57.03 3i69 h ASP 93 Cb 0.11 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.46 3i69 h ASP 93 CO -0.15 0.88 0.26 -0.03 -1.72 0.00 0.00 179.24 178.47 3i69 h MET 94 N 0.04 0.44 0.19 3.56 4.05 -0.83 -1.51 114.93 120.89 3i69 h MET 94 Ca 0.02 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3i69 h MET 94 Cb 0.77 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.47 3i69 h MET 94 CO 0.05 0.29 -0.09 1.88 0.23 0.00 0.00 176.91 179.27 3i69 h TYR 95 N 0.46 -0.24 0.00 1.39 0.05 -1.21 -3.08 116.97 114.34 3i69 h TYR 95 Ca 0.31 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 59.09 3i69 h TYR 95 Cb 0.37 0.08 -0.00 0.00 1.01 0.00 0.00 36.73 38.19 3i69 h TYR 95 CO -0.15 0.13 -0.02 -0.84 -1.05 0.00 0.00 178.16 176.23 3i69 h ILE 96 N -0.67 0.05 0.06 -2.88 -0.00 -1.15 -1.75 117.51 111.18 3i69 h ILE 96 Ca -0.03 -0.43 -0.24 0.00 -0.00 0.00 0.00 64.86 64.16 3i69 h ILE 96 Cb 0.48 1.40 -0.00 0.00 -0.00 0.00 0.00 36.82 38.70 3i69 h ILE 96 CO 0.04 0.01 -1.08 -0.33 -0.00 0.00 0.00 178.15 176.80 3i69 h GLU 97 N 0.00 0.27 -0.48 0.16 4.39 -1.32 -0.84 114.58 116.76 3i69 h GLU 97 Ca -0.00 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 59.29 3i69 h GLU 97 Cb 0.40 0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 3i69 h GLU 97 CO 0.00 1.13 0.21 0.78 -1.16 0.00 0.00 179.01 179.97 3i69 h GLY 98 N 1.64 0.76 1.31 -3.84 0.00 -1.25 -1.55 103.07 100.14 3i69 h GLY 98 Ca -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 3i69 h GLY 98 CO 0.18 0.38 0.20 -2.22 0.00 0.00 0.00 176.54 175.07 3i69 h ILE 99 N 0.63 1.22 -0.01 2.60 2.04 -1.33 -1.74 117.51 120.93 3i69 h ILE 99 Ca 0.16 -0.74 -0.13 0.00 1.00 0.00 0.00 64.86 65.15 3i69 h ILE 99 Cb 0.16 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3i69 h ILE 99 CO -0.02 0.29 -0.61 0.00 0.00 0.00 0.00 178.15 177.81 3i69 h ALA 100 N 1.36 0.98 -0.22 1.87 0.00 -0.94 0.27 119.26 122.58 3i69 h ALA 100 Ca 0.20 -0.55 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3i69 h ALA 100 Cb 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i69 h ALA 100 CO -0.01 0.76 -0.21 -0.44 0.00 0.00 0.00 179.25 179.35 3i69 h ASP 101 N 0.02 0.57 0.09 0.00 3.32 -0.70 -1.39 116.42 118.33 3i69 h ASP 101 Ca -0.01 -0.47 -0.00 0.00 0.02 0.00 0.00 57.03 56.57 3i69 h ASP 101 Cb 1.08 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.47 3i69 h ASP 101 CO 0.08 0.92 -0.04 0.25 -1.72 0.00 0.00 179.24 178.73 3i69 h LEU 102 N 0.23 -0.10 -2.10 1.55 5.85 -1.28 -3.04 115.31 116.42 3i69 h LEU 102 Ca 0.04 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.62 3i69 h LEU 102 Cb 0.75 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 3i69 h LEU 102 CO 0.05 0.08 0.01 1.23 -0.34 0.00 0.00 178.44 179.47 3i69 h GLY 103 N -0.28 0.00 0.99 3.75 0.00 -0.98 -1.56 103.07 104.99 3i69 h GLY 103 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 3i69 h GLY 103 CO 0.02 0.00 0.29 -2.09 0.00 0.00 0.00 176.54 174.76 3i69 h GLU 104 N 0.00 0.84 -0.22 4.80 4.57 -1.14 -0.84 114.58 122.60 3i69 h GLU 104 Ca 0.01 -0.12 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 3i69 h GLU 104 Cb 0.03 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 3i69 h GLU 104 CO -0.00 0.67 -0.13 0.52 -1.18 0.00 0.00 179.01 178.89 3i69 h MET 105 N 0.80 0.36 -0.10 1.92 2.86 -1.22 -2.11 114.93 117.44 3i69 h MET 105 Ca 0.20 -0.09 -0.12 0.00 -2.06 0.00 0.00 59.70 57.63 3i69 h MET 105 Cb 0.10 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.73 3i69 h MET 105 CO -0.03 0.49 -0.39 0.82 1.06 0.00 0.00 176.91 178.86 3i69 h ILE 106 N 0.33 1.39 -0.11 -1.22 2.04 -1.30 -0.89 117.51 117.76 3i69 h ILE 106 Ca 0.06 -1.74 -0.03 0.00 1.00 0.00 0.00 64.86 64.16 3i69 h ILE 106 Cb 0.44 2.20 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 3i69 h ILE 106 CO 0.03 0.51 -0.08 0.40 0.00 0.00 0.00 178.15 179.01 3i69 h ILE 107 N 0.01 1.12 0.06 -0.67 2.04 -1.03 -2.81 117.51 116.23 3i69 h ILE 107 Ca -0.02 -0.53 -0.28 0.00 1.00 0.00 0.00 64.86 65.03 3i69 h ILE 107 Cb 1.03 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 38.21 3i69 h ILE 107 CO 0.08 0.16 -1.49 0.24 0.00 0.00 0.00 178.15 177.14 3i69 h MET 108 N 0.16 0.12 -0.82 2.37 2.86 -1.37 -3.40 114.93 114.85 3i69 h MET 108 Ca 0.04 -0.20 0.15 0.00 -2.06 0.00 0.00 59.70 57.63 3i69 h MET 108 Cb 0.24 0.07 -0.15 0.00 0.06 0.00 0.00 31.60 31.83 3i69 h MET 108 CO 0.01 0.90 -0.24 -0.11 1.06 0.00 0.00 176.91 178.53 3i69 n LEU 109 N -3.31 -0.38 0.00 1.22 7.94 -0.34 -0.00 117.00 122.13 3i69 n LEU 109 Ca -0.14 1.42 0.04 0.00 -1.11 0.00 0.00 56.01 56.23 3i69 n LEU 109 Cb 1.02 -0.40 0.20 0.00 0.53 0.00 0.00 43.42 44.77 3i69 n LEU 109 CO 0.48 -1.34 0.63 -2.65 -1.11 0.00 0.00 177.39 173.40 3i69 n PRO 110 N -5.30 0.02 -0.05 1.96 -0.02 -1.26 -2.87 135.00 127.47 3i69 n PRO 110 Ca 0.12 0.33 -0.01 0.00 -2.02 0.00 0.00 63.50 61.92 3i69 n PRO 110 Cb 0.38 -1.50 -0.16 0.00 -0.02 0.00 0.00 33.50 32.21 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 -1.47 0.09 -2.06 6.00 3.72 0.99 -4.98 117.46 119.75 3i69 n PHE 111 Ca 0.02 0.03 -0.34 0.00 -0.05 0.00 0.00 57.45 57.12 3i69 n PHE 111 Cb 0.10 -0.81 0.02 0.00 -0.94 0.00 0.00 39.48 37.85 3i69 n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i69 s PRO 113 N -3.74 3.14 0.48 0.00 0.02 -1.26 -4.82 135.00 128.82 3i69 s PRO 113 Ca 0.68 1.71 0.22 0.00 0.02 0.00 0.00 61.00 63.62 3i69 s PRO 113 Cb -0.20 -1.97 1.24 0.00 0.02 0.00 0.00 34.50 33.59 3i69 s PRO 113 CO 0.33 -1.04 1.93 -1.35 -0.33 0.00 0.00 177.00 176.54 3i69 h PRO 114 N 0.99 0.21 0.00 5.54 0.11 -1.98 0.31 132.00 137.18 3i69 h PRO 114 Ca -0.50 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3i69 h PRO 114 Cb 1.28 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3i69 h PRO 114 CO 0.56 0.14 -0.23 1.05 -0.21 0.00 0.00 178.00 179.30 3i69 h GLU 115 N 0.21 0.00 -0.21 1.05 9.09 -2.04 -2.86 114.58 119.82 3i69 h GLU 115 Ca 0.35 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.76 3i69 h GLU 115 Cb 1.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.18 3i69 h GLU 115 CO -0.07 0.23 0.00 0.39 0.05 0.00 0.00 179.01 179.61 3i69 n GLU 116 N -3.91 2.03 -0.05 1.06 1.02 0.09 -4.49 120.64 116.40 3i69 n GLU 116 Ca -0.02 -1.55 -0.13 0.00 -0.02 0.00 0.00 57.16 55.44 3i69 n GLU 116 Cb 0.32 -1.45 -0.12 0.00 -0.02 0.00 0.00 31.44 30.18 3i69 n GLU 116 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 3i69 h LYS 117 N 3.19 -0.01 -1.01 3.49 3.64 -1.48 -1.38 116.57 123.02 3i69 h LYS 117 Ca 0.00 0.00 0.23 0.00 -1.27 0.00 0.00 60.65 59.61 3i69 h LYS 117 Cb 0.70 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.40 3i69 h LYS 117 CO 0.00 0.84 0.61 -0.44 -2.27 0.00 0.00 179.45 178.18 3i69 h ASP 118 N -0.89 0.69 0.16 4.20 3.32 -1.79 -0.57 116.42 121.54 3i69 h ASP 118 Ca -0.00 0.12 -0.28 0.00 0.02 0.00 0.00 57.03 56.89 3i69 h ASP 118 Cb 0.85 0.01 0.03 0.00 0.22 0.00 0.00 39.33 40.44 3i69 h ASP 118 CO 0.00 0.15 -1.18 0.00 -1.72 0.00 0.00 179.24 176.50 3i69 h ALA 119 N 1.70 -0.07 -0.22 3.45 0.00 -1.82 -2.89 119.26 119.41 3i69 h ALA 119 Ca 0.62 -0.77 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3i69 h ALA 119 Cb 1.15 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i69 h ALA 119 CO -0.43 0.60 -0.56 0.87 0.00 0.00 0.00 179.25 179.73 3i69 h LYS 120 N 0.08 0.66 -0.28 0.00 1.57 -0.75 -2.55 116.57 115.31 3i69 h LYS 120 Ca -0.19 -0.42 -0.02 0.00 -1.87 0.00 0.00 60.65 58.15 3i69 h LYS 120 Cb 1.89 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 34.24 3i69 h LYS 120 CO 0.22 1.04 0.10 1.25 -0.57 0.00 0.00 179.45 181.49 3i69 h LEU 121 N 0.51 0.40 -1.68 2.94 5.85 -1.24 -2.43 115.31 119.66 3i69 h LEU 121 Ca 0.01 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 3i69 h LEU 121 Cb 1.12 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 3i69 h LEU 121 CO 0.11 0.48 -0.17 0.00 -0.34 0.00 0.00 178.44 178.52 3i69 h ALA 122 N 0.93 1.72 0.00 1.25 0.00 -1.47 0.61 119.26 122.30 3i69 h ALA 122 Ca 0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3i69 h ALA 122 Cb 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3i69 h ALA 122 CO -0.00 0.21 -0.54 1.25 0.00 0.00 0.00 179.25 180.16 3i69 h LEU 123 N 0.00 0.00 0.01 0.00 5.85 -1.34 -1.81 115.31 118.03 3i69 h LEU 123 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3i69 h LEU 123 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3i69 h LEU 123 CO 0.02 0.54 -0.01 0.40 -0.34 0.00 0.00 178.44 179.05 3i69 h ILE 124 N 0.00 1.43 -0.95 4.05 2.04 -0.66 -2.19 117.51 121.24 3i69 h ILE 124 Ca -0.01 -1.38 0.11 0.00 1.00 0.00 0.00 64.86 64.58 3i69 h ILE 124 Cb 1.27 2.36 -0.07 0.00 -0.74 0.00 0.00 36.82 39.64 3i69 h ILE 124 CO 0.07 0.35 0.61 0.11 0.00 0.00 0.00 178.15 179.29 3i69 h LYS 125 N -0.61 0.91 -0.27 2.37 1.57 -0.96 0.38 116.57 119.96 3i69 h LYS 125 Ca -0.00 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 3i69 h LYS 125 Cb 0.59 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 3i69 h LYS 125 CO 0.00 0.60 0.05 1.49 -0.57 0.00 0.00 179.45 181.03 3i69 h GLU 126 N 0.94 0.44 -0.24 3.15 4.22 -1.33 -0.61 114.58 121.14 3i69 h GLU 126 Ca 0.45 -0.11 -0.17 0.00 0.08 0.00 0.00 59.36 59.61 3i69 h GLU 126 Cb 0.45 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 3i69 h GLU 126 CO -0.21 0.55 -0.53 0.87 -2.18 0.00 0.00 179.01 177.50 3i69 h LYS 127 N 0.26 0.70 -0.36 1.92 1.57 -0.72 -0.39 116.57 119.55 3i69 h LYS 127 Ca 0.08 -0.43 0.05 0.00 -1.87 0.00 0.00 60.65 58.48 3i69 h LYS 127 Cb 0.31 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.62 3i69 h LYS 127 CO 0.00 1.05 0.08 0.82 -0.57 0.00 0.00 179.45 180.84 3i69 h ILE 128 N 0.54 0.83 -0.14 1.86 2.04 -0.22 0.16 117.51 122.59 3i69 h ILE 128 Ca 0.02 -0.07 -0.18 0.00 1.00 0.00 0.00 64.86 65.62 3i69 h ILE 128 Cb 1.10 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3i69 h ILE 128 CO 0.11 0.04 -0.66 0.50 0.00 0.00 0.00 178.15 178.13 3i69 h LYS 129 N 0.21 0.54 0.00 2.37 1.63 -0.88 -2.26 116.57 118.18 3i69 h LYS 129 Ca 0.17 -0.40 -0.17 0.00 -0.85 0.00 0.00 60.65 59.40 3i69 h LYS 129 Cb 0.19 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.85 3i69 h LYS 129 CO -0.21 1.02 -1.85 0.09 -3.45 0.00 0.00 179.45 175.05 3i69 n ASN 130 N -3.91 1.63 -0.03 4.20 3.02 -0.18 -4.44 115.26 115.56 3i69 n ASN 130 Ca -0.04 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.46 3i69 n ASN 130 Cb 0.67 1.12 -0.02 0.00 -0.61 0.00 0.00 39.78 40.94 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 -2.34 0.27 -0.08 3.52 0.63 0.46 -4.67 116.66 114.44 3i69 n ARG 131 Ca -0.16 0.11 -0.16 0.00 -0.92 0.00 0.00 57.85 56.71 3i69 n ARG 131 Cb 0.76 -0.93 -0.12 0.00 0.45 0.00 0.00 32.46 32.62 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 -0.50 0.00 -0.34 -0.14 0.05 -1.40 -2.53 116.97 112.11 3i69 h TYR 132 Ca 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.76 3i69 h TYR 132 Cb 0.50 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 3i69 h TYR 132 CO -0.22 1.14 0.12 0.74 -1.05 0.00 0.00 178.16 178.89 3i69 h PHE 133 N -1.00 0.54 -0.60 4.88 -1.00 -1.64 -1.11 116.94 117.01 3i69 h PHE 133 Ca -0.14 -0.05 0.05 0.00 2.81 0.00 0.00 57.97 60.64 3i69 h PHE 133 Cb 1.08 -0.16 -0.05 0.00 3.61 0.00 0.00 35.95 40.43 3i69 h PHE 133 CO 0.19 0.52 0.32 -1.35 -1.61 0.00 0.00 178.31 176.37 3i69 h PRO 134 N 0.40 0.59 -0.62 1.51 0.11 -1.76 -0.55 132.00 131.68 3i69 h PRO 134 Ca 0.11 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 66.30 3i69 h PRO 134 Cb 0.22 -0.13 -0.12 0.00 0.11 0.00 0.00 31.00 31.08 3i69 h PRO 134 CO -0.01 0.39 -0.30 0.00 -0.21 0.00 0.00 178.00 177.88 3i69 h ALA 135 N 1.31 0.08 0.00 -0.75 0.00 -0.98 -1.45 119.26 117.47 3i69 h ALA 135 Ca 0.26 0.19 -0.21 0.00 0.00 0.00 0.00 54.91 55.16 3i69 h ALA 135 Cb 0.16 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 3i69 h ALA 135 CO -0.17 -0.61 -1.05 0.74 0.00 0.00 0.00 179.25 178.16 3i69 h PHE 136 N -0.12 0.00 -0.67 0.00 0.04 -0.64 -2.94 116.94 112.61 3i69 h PHE 136 Ca 0.26 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.00 3i69 h PHE 136 Cb 0.54 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.66 3i69 h PHE 136 CO -0.62 0.94 0.30 1.49 -0.60 0.00 0.00 178.31 179.82 3i69 h GLU 137 N 0.00 0.98 -0.36 1.51 4.57 -1.01 -2.62 114.58 117.66 3i69 h GLU 137 Ca -0.05 -0.16 0.04 0.00 -1.18 0.00 0.00 59.36 58.02 3i69 h GLU 137 Cb 1.76 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 30.14 3i69 h GLU 137 CO 0.11 0.79 0.12 -0.22 -1.18 0.00 0.00 179.01 178.64 3i69 h LYS 138 N 0.94 0.27 -0.21 1.92 3.64 -1.10 0.20 116.57 122.22 3i69 h LYS 138 Ca 0.23 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.64 3i69 h LYS 138 Cb 0.15 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3i69 h LYS 138 CO -0.03 0.18 -0.09 0.28 -2.27 0.00 0.00 179.45 177.52 3i69 h VAL 139 N 0.27 0.70 -0.45 2.00 2.07 -1.45 -1.79 116.25 117.61 3i69 h VAL 139 Ca 0.16 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.63 3i69 h VAL 139 Cb 0.14 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3i69 h VAL 139 CO -0.17 0.00 0.07 -0.07 0.02 0.00 0.00 177.57 177.42 3i69 h LEU 140 N -0.06 0.72 -0.55 2.57 3.38 -1.04 -3.03 115.31 117.30 3i69 h LEU 140 Ca 0.11 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.86 3i69 h LEU 140 Cb 0.23 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3i69 h LEU 140 CO -0.25 0.80 0.30 0.50 0.09 0.00 0.00 178.44 179.88 3i69 h LYS 141 N 0.61 0.56 0.74 1.13 1.63 -0.50 -1.75 116.57 118.98 3i69 h LYS 141 Ca 0.14 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.87 3i69 h LYS 141 Cb 0.40 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.90 3i69 h LYS 141 CO 0.01 0.37 -0.43 0.77 -3.45 0.00 0.00 179.45 176.73 3i69 h SER 142 N 0.58 -1.06 1.16 4.20 0.02 -1.20 -3.29 113.55 113.95 3i69 h SER 142 Ca 0.24 0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 61.12 3i69 h SER 142 Cb 0.12 0.30 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3i69 h SER 142 CO -0.15 -0.67 -0.89 1.12 -1.14 0.00 0.00 176.83 175.11 3i69 h HIS 143 N -1.08 0.00 -0.00 3.45 2.07 -1.64 -3.48 115.15 114.47 3i69 h HIS 143 Ca -0.10 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.42 3i69 h HIS 143 Cb 0.85 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.83 3i69 h HIS 143 CO -0.05 0.51 -0.00 0.41 -3.07 0.00 0.00 177.93 175.73 3i69 n GLY 144 N 1.29 0.48 3.98 6.13 0.00 -0.66 -5.02 105.19 111.38 3i69 n GLY 144 Ca -0.03 -0.20 -0.20 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.37 3.26 0.00 1.61 -0.21 -1.26 -5.00 119.66 117.69 3i69 s GLN 145 Ca 0.00 -0.82 0.24 0.00 0.02 0.00 0.00 55.36 54.81 3i69 s GLN 145 Cb 0.00 -2.81 1.14 0.00 1.00 0.00 0.00 33.01 32.34 3i69 s GLN 145 CO 0.00 0.18 1.80 -0.25 -2.12 0.00 0.00 175.29 174.90 3i69 n ASP 146 N -1.61 0.00 -4.16 5.90 8.00 -1.26 -4.77 116.55 118.65 3i69 n ASP 146 Ca -0.04 0.23 -0.16 0.00 0.71 0.00 0.00 54.79 55.53 3i69 n ASP 146 Cb 0.57 -0.40 -0.11 0.00 -0.02 0.00 0.00 41.12 41.16 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 -2.79 1.08 0.16 1.24 2.02 -1.26 -4.97 117.35 112.82 3i69 s TYR 147 Ca 0.17 -0.54 -0.17 0.00 -0.37 0.00 0.00 57.07 56.16 3i69 s TYR 147 Cb 0.16 -0.60 0.08 0.00 -0.40 0.00 0.00 41.96 41.20 3i69 s TYR 147 CO 0.41 0.02 1.69 -0.07 -1.57 0.00 0.00 175.55 176.03 3i69 h LEU 148 N 4.01 -0.24 -8.33 -1.29 3.38 -1.86 -3.42 115.31 107.57 3i69 h LEU 148 Ca -0.39 0.09 -0.40 0.00 0.09 0.00 0.00 57.88 57.28 3i69 h LEU 148 Cb 1.19 0.18 -0.23 0.00 0.09 0.00 0.00 40.66 41.90 3i69 h LEU 148 CO 0.45 -0.08 -0.78 -0.69 0.09 0.00 0.00 178.44 177.44 3i69 s VAL 149 N -6.20 1.01 -2.14 1.22 1.01 -1.26 -4.85 120.40 109.19 3i69 s VAL 149 Ca -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.70 3i69 s VAL 149 Cb 0.13 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.55 3i69 s VAL 149 CO 0.70 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3i69 n GLY 150 N 1.55 1.92 3.08 4.51 0.00 -1.26 -2.55 105.19 112.44 3i69 n GLY 150 Ca -0.20 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.35 -2.47 -3.72 1.61 5.15 -1.26 -4.95 115.26 108.27 3i69 n ASN 151 Ca -0.20 -0.10 -0.10 0.00 -0.60 0.00 0.00 54.58 53.58 3i69 n ASN 151 Cb 0.68 -2.14 -0.05 0.00 -0.53 0.00 0.00 39.78 37.74 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 -5.67 1.14 -0.10 1.20 -2.85 -1.06 -4.87 119.74 107.55 3i69 s LYS 152 Ca 0.25 -0.82 -0.38 0.00 -1.00 0.00 0.00 55.97 54.02 3i69 s LYS 152 Cb -0.14 0.46 -0.16 0.00 -2.06 0.00 0.00 37.83 35.93 3i69 s LYS 152 CO 0.31 -0.45 1.56 -0.11 0.10 0.00 0.00 175.35 176.76 3i69 n LEU 153 N -0.24 2.08 -4.32 2.77 7.94 -1.26 -4.52 117.00 119.45 3i69 n LEU 153 Ca -0.13 1.09 -0.17 0.00 -1.11 0.00 0.00 56.01 55.69 3i69 n LEU 153 Cb 0.63 -1.17 -0.10 0.00 0.53 0.00 0.00 43.42 43.31 3i69 n LEU 153 CO 0.18 -0.71 -0.35 -0.94 -1.11 0.00 0.00 177.39 174.47 3i69 s SER 154 N 2.09 1.84 0.54 1.96 1.04 -1.26 -4.83 113.70 115.09 3i69 s SER 154 Ca 0.91 -1.18 0.35 0.00 0.48 0.00 0.00 55.95 56.52 3i69 s SER 154 Cb -1.00 0.00 1.52 0.00 0.10 0.00 0.00 66.02 66.64 3i69 s SER 154 CO 0.56 -0.47 1.83 0.08 0.98 0.00 0.00 173.24 176.22 3i69 h ARG 155 N 2.53 0.00 -0.15 4.02 0.11 -1.23 -0.92 114.38 118.74 3i69 h ARG 155 Ca -0.38 0.00 0.03 0.00 0.10 0.00 0.00 59.98 59.73 3i69 h ARG 155 Cb 1.22 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.27 3i69 h ARG 155 CO 0.64 0.00 -0.01 0.00 0.10 0.00 0.00 179.97 180.71 3i69 h ALA 156 N 1.45 0.13 -0.00 0.08 0.00 -1.89 0.15 119.26 119.18 3i69 h ALA 156 Ca 0.51 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.50 3i69 h ALA 156 Cb 2.05 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.87 3i69 h ALA 156 CO -0.01 -0.45 -0.33 -0.44 0.00 0.00 0.00 179.25 178.02 3i69 h ASP 157 N 0.04 -0.99 -0.29 0.00 3.32 -1.57 0.89 116.42 117.83 3i69 h ASP 157 Ca 0.07 0.13 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3i69 h ASP 157 Cb 0.09 0.40 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3i69 h ASP 157 CO -0.13 -0.39 0.18 0.40 -1.72 0.00 0.00 179.24 177.58 3i69 h ILE 158 N -0.48 1.09 0.02 0.35 1.08 -1.26 -1.38 117.51 116.93 3i69 h ILE 158 Ca 0.06 -0.20 -0.22 0.00 -0.39 0.00 0.00 64.86 64.11 3i69 h ILE 158 Cb 0.57 0.67 -0.00 0.00 -3.07 0.00 0.00 36.82 34.98 3i69 h ILE 158 CO -0.27 0.09 -0.97 0.45 -0.69 0.00 0.00 178.15 176.76 3i69 h HIS 159 N 0.41 0.46 -0.13 1.37 3.86 0.12 -2.78 115.15 118.46 3i69 h HIS 159 Ca 0.11 -0.27 -0.09 0.00 -1.16 0.00 0.00 60.37 58.96 3i69 h HIS 159 Cb -0.01 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.41 3i69 h HIS 159 CO 0.00 1.10 -0.28 1.25 0.86 0.00 0.00 177.93 180.87 3i69 h LEU 160 N 0.16 0.48 -0.46 2.43 5.85 -0.26 -2.74 115.31 120.76 3i69 h LEU 160 Ca -0.07 -0.56 -0.03 0.00 0.84 0.00 0.00 57.88 58.05 3i69 h LEU 160 Cb 1.62 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.49 3i69 h LEU 160 CO 0.16 0.95 0.16 0.58 -0.34 0.00 0.00 178.44 179.94 3i69 h VAL 161 N 0.02 1.22 -0.57 1.05 2.07 -1.36 0.16 116.25 118.84 3i69 h VAL 161 Ca 0.00 -0.71 0.11 0.00 0.82 0.00 0.00 66.70 66.93 3i69 h VAL 161 Cb 0.87 0.82 -0.11 0.00 -1.52 0.00 0.00 31.29 31.34 3i69 h VAL 161 CO 0.06 0.26 -0.22 -0.08 0.02 0.00 0.00 177.57 177.61 3i69 h GLU 162 N 0.60 -0.07 -0.00 1.57 4.81 -1.53 -1.13 114.58 118.83 3i69 h GLU 162 Ca 0.15 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3i69 h GLU 162 Cb 0.24 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3i69 h GLU 162 CO -0.01 -0.05 -0.32 1.25 -0.73 0.00 0.00 179.01 179.15 3i69 h LEU 163 N -0.08 0.01 -1.02 1.64 5.85 -0.98 -2.03 115.31 118.70 3i69 h LEU 163 Ca 0.26 -0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.91 3i69 h LEU 163 Cb 0.49 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 3i69 h LEU 163 CO -0.63 0.33 -0.32 -0.07 -0.34 0.00 0.00 178.44 177.42 3i69 h LEU 164 N 0.01 0.00 -0.70 2.25 3.38 0.50 -1.57 115.31 119.18 3i69 h LEU 164 Ca -0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 3i69 h LEU 164 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3i69 h LEU 164 CO 0.04 0.32 -0.51 1.88 0.09 0.00 0.00 178.44 180.27 3i69 h TYR 165 N 0.00 0.45 0.00 1.13 0.05 -0.62 -1.87 116.97 116.12 3i69 h TYR 165 Ca -0.00 -0.15 -0.20 0.00 0.05 0.00 0.00 58.73 58.43 3i69 h TYR 165 Cb 0.83 -0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 3i69 h TYR 165 CO 0.00 0.80 -0.89 1.88 -1.05 0.00 0.00 178.16 178.90 3i69 h TYR 166 N 0.29 0.33 -0.13 4.88 0.05 -1.35 -1.69 116.97 119.35 3i69 h TYR 166 Ca 0.01 -0.18 -0.17 0.00 0.05 0.00 0.00 58.73 58.44 3i69 h TYR 166 Cb 0.99 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.69 3i69 h TYR 166 CO 0.03 1.00 -0.65 0.28 -1.05 0.00 0.00 178.16 177.77 3i69 h VAL 167 N 0.12 1.35 -0.52 -2.88 2.07 -1.33 -2.59 116.25 112.46 3i69 h VAL 167 Ca -0.05 -1.97 0.02 0.00 0.82 0.00 0.00 66.70 65.53 3i69 h VAL 167 Cb 1.52 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.20 3i69 h VAL 167 CO 0.14 0.60 0.31 -0.08 0.02 0.00 0.00 177.57 178.56 3i69 h GLU 168 N 0.35 0.61 -0.25 1.57 4.81 -1.24 -1.38 114.58 119.04 3i69 h GLU 168 Ca -0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3i69 h GLU 168 Cb 1.20 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3i69 h GLU 168 CO 0.12 0.40 0.09 0.93 -0.73 0.00 0.00 179.01 179.82 3i69 h GLU 169 N 0.63 0.34 0.12 1.92 5.08 -1.17 -3.15 114.58 118.35 3i69 h GLU 169 Ca 0.21 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.36 3i69 h GLU 169 Cb 0.02 -0.07 0.02 0.00 0.50 0.00 0.00 28.75 29.21 3i69 h GLU 169 CO -0.09 0.30 -0.76 1.25 -1.00 0.00 0.00 179.01 178.70 3i69 h LEU 170 N 0.35 0.39 -6.00 1.33 6.46 -1.22 -3.46 115.31 113.15 3i69 h LEU 170 Ca 0.09 -0.94 0.16 0.00 -0.12 0.00 0.00 57.88 57.06 3i69 h LEU 170 Cb 0.09 -0.13 -0.21 0.00 -0.73 0.00 0.00 40.66 39.69 3i69 h LEU 170 CO -0.01 1.36 -0.09 -0.62 -0.62 0.00 0.00 178.44 178.46 3i69 s ASP 171 N -6.87 -0.91 0.00 1.25 -1.08 -0.54 -5.05 116.67 103.47 3i69 s ASP 171 Ca -0.15 0.40 0.09 0.00 -0.52 0.00 0.00 52.55 52.37 3i69 s ASP 171 Cb 0.01 1.69 0.41 0.00 -1.46 0.00 0.00 42.92 43.57 3i69 s ASP 171 CO 0.80 -0.17 1.30 -1.54 0.52 0.00 0.00 175.17 176.08 3i69 n SER 172 N 5.39 0.00 0.01 -0.34 3.41 -1.20 -2.11 113.62 118.78 3i69 n SER 172 Ca -0.00 0.47 0.11 0.00 -0.26 0.00 0.00 58.87 59.19 3i69 n SER 172 Cb 0.54 -0.48 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.48 0.70 -0.33 4.04 3.41 -1.26 -4.36 113.62 114.34 3i69 n SER 173 Ca 0.02 -0.54 -0.03 0.00 -0.26 0.00 0.00 58.87 58.07 3i69 n SER 173 Cb 0.11 0.91 0.12 0.00 -0.26 0.00 0.00 64.21 65.09 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 0.00 1.10 0.00 1.04 3.38 -1.76 -1.36 115.31 117.71 3i69 h LEU 174 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3i69 h LEU 174 Cb 0.62 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3i69 h LEU 174 CO 0.00 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.38 3i69 n ILE 175 N -4.35 0.07 0.20 1.22 3.06 -1.26 -4.22 119.36 114.07 3i69 n ILE 175 Ca 0.10 0.02 0.04 0.00 -2.50 0.00 0.00 62.75 60.41 3i69 n ILE 175 Cb 0.07 -0.59 0.44 0.00 0.54 0.00 0.00 39.64 40.11 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 0.00 0.04 0.04 9.51 4.64 -1.49 -2.13 113.55 124.16 3i69 h SER 176 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3i69 h SER 176 Cb 0.10 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3i69 h SER 176 CO 0.00 0.27 -0.03 -1.20 -0.87 0.00 0.00 176.83 175.00 3i69 n SER 177 N -4.26 1.11 -3.85 4.97 7.64 -1.26 -4.63 113.62 113.35 3i69 n SER 177 Ca -0.02 -1.29 -0.28 0.00 1.01 0.00 0.00 58.87 58.29 3i69 n SER 177 Cb 0.29 0.01 -0.12 0.00 -1.01 0.00 0.00 64.21 63.38 3i69 n SER 177 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3i69 s PHE 178 N -2.08 3.21 0.26 1.43 0.08 -0.80 -4.95 117.98 115.14 3i69 s PHE 178 Ca 0.38 -3.18 -0.01 0.00 0.12 0.00 0.00 56.93 54.23 3i69 s PHE 178 Cb 0.21 -2.50 0.33 0.00 -0.57 0.00 0.00 43.02 40.49 3i69 s PHE 178 CO 0.37 -0.61 1.73 -1.00 -0.10 0.00 0.00 175.22 175.62 3i69 h PRO 179 N 5.60 0.72 -0.62 0.24 0.13 -1.82 -2.46 132.00 133.79 3i69 h PRO 179 Ca 0.13 -0.22 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 3i69 h PRO 179 Cb 0.79 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 31.82 3i69 h PRO 179 CO 0.67 0.79 0.22 -0.07 -0.23 0.00 0.00 178.00 179.38 3i69 h LEU 180 N 0.66 0.85 -1.05 1.56 3.38 -1.94 -1.67 115.31 117.10 3i69 h LEU 180 Ca 0.12 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3i69 h LEU 180 Cb 0.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3i69 h LEU 180 CO 0.03 0.79 -0.46 -0.07 0.09 0.00 0.00 178.44 178.81 3i69 h LEU 181 N 0.90 0.02 -0.51 1.67 3.38 -1.88 -1.51 115.31 117.38 3i69 h LEU 181 Ca 0.21 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 3i69 h LEU 181 Cb 0.22 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3i69 h LEU 181 CO -0.01 0.48 -0.02 0.11 0.09 0.00 0.00 178.44 179.09 3i69 h LYS 182 N 0.02 0.92 -0.15 1.13 1.57 -0.88 -2.18 116.57 117.00 3i69 h LYS 182 Ca -0.00 -0.30 -0.19 0.00 -1.87 0.00 0.00 60.65 58.28 3i69 h LYS 182 Cb 0.83 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.06 3i69 h LYS 182 CO 0.06 0.95 -0.69 0.00 -0.57 0.00 0.00 179.45 179.20 3i69 h ALA 183 N 0.94 0.50 -0.23 3.86 0.00 -1.21 -2.91 119.26 120.19 3i69 h ALA 183 Ca 0.14 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.52 3i69 h ALA 183 Cb 0.55 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3i69 h ALA 183 CO 0.03 0.71 -0.03 1.25 0.00 0.00 0.00 179.25 181.21 3i69 h LEU 184 N 0.45 -0.15 -1.15 0.00 5.85 -1.22 -1.41 115.31 117.68 3i69 h LEU 184 Ca -0.03 0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.86 3i69 h LEU 184 Cb 1.29 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.36 3i69 h LEU 184 CO 0.13 -0.05 0.60 0.50 -0.34 0.00 0.00 178.44 179.29 3i69 h LYS 185 N 0.04 0.88 -0.03 1.25 3.64 -1.34 -1.97 116.57 119.04 3i69 h LYS 185 Ca 0.11 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.36 3i69 h LYS 185 Cb 0.16 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 3i69 h LYS 185 CO -0.21 0.58 -0.27 1.15 -2.27 0.00 0.00 179.45 178.43 3i69 h THR 186 N 0.91 1.48 -0.57 1.00 2.02 -1.19 -2.04 112.91 114.52 3i69 h THR 186 Ca 0.44 -1.81 -0.02 0.00 0.77 0.00 0.00 66.41 65.80 3i69 h THR 186 Cb 0.46 2.54 -0.03 0.00 -1.74 0.00 0.00 68.15 69.39 3i69 h THR 186 CO -0.21 0.50 0.28 0.03 0.37 0.00 0.00 175.52 176.50 3i69 h ARG 187 N -0.35 0.81 -0.24 6.66 3.08 -1.10 -2.45 114.38 120.80 3i69 h ARG 187 Ca -0.03 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 3i69 h ARG 187 Cb 0.96 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.87 3i69 h ARG 187 CO 0.05 0.65 -0.48 0.82 -1.07 0.00 0.00 179.97 179.94 3i69 h ILE 188 N 0.77 1.30 0.00 2.04 1.08 -1.42 -2.51 117.51 118.76 3i69 h ILE 188 Ca 0.20 -1.69 -0.00 0.00 -0.39 0.00 0.00 64.86 62.98 3i69 h ILE 188 Cb 0.10 1.77 -0.00 0.00 -3.07 0.00 0.00 36.82 35.62 3i69 h ILE 188 CO -0.03 0.54 -0.01 0.28 -0.69 0.00 0.00 178.15 178.25 3i69 h SER 189 N 0.48 0.00 -0.21 1.72 0.02 -1.27 -1.58 113.55 112.71 3i69 h SER 189 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3i69 h SER 189 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3i69 h SER 189 CO 0.11 0.01 0.00 0.59 -1.14 0.00 0.00 176.83 176.39 3i69 n ASN 190 N -3.27 2.82 -4.67 3.07 3.02 -0.93 -3.09 115.26 112.21 3i69 n ASN 190 Ca -0.03 -1.90 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 3i69 n ASN 190 Cb 0.09 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 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 -1.70 4.31 0.18 3.41 1.43 -0.60 -4.79 118.68 120.93 3i69 s LEU 191 Ca 0.34 2.19 -0.00 0.00 -1.03 0.00 0.00 54.13 55.63 3i69 s LEU 191 Cb 0.21 -3.54 0.42 0.00 0.03 0.00 0.00 46.19 43.31 3i69 s LEU 191 CO 0.30 -0.88 0.95 -2.65 0.23 0.00 0.00 176.35 174.30 3i69 n PRO 192 N 6.69 -0.05 -0.08 1.29 -0.01 -1.26 -0.18 135.00 141.39 3i69 n PRO 192 Ca 0.16 0.91 -0.12 0.00 -0.01 0.00 0.00 63.50 64.44 3i69 n PRO 192 Cb 0.43 -1.43 -0.05 0.00 -0.01 0.00 0.00 33.50 32.43 3i69 n PRO 192 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 175.50 177.28 3i69 h THR 193 N 0.00 1.31 -0.45 3.45 1.35 -1.87 -2.38 112.91 114.32 3i69 h THR 193 Ca 0.35 -1.23 -0.07 0.00 -0.55 0.00 0.00 66.41 64.90 3i69 h THR 193 Cb 0.69 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 3i69 h THR 193 CO -0.58 0.38 -0.00 0.58 -0.25 0.00 0.00 175.52 175.65 3i69 h VAL 194 N 0.21 1.26 -0.55 6.82 2.07 -0.80 -2.65 116.25 122.61 3i69 h VAL 194 Ca 0.05 -1.05 0.07 0.00 0.82 0.00 0.00 66.70 66.59 3i69 h VAL 194 Cb 0.65 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.41 3i69 h VAL 194 CO 0.04 0.36 0.23 0.50 0.02 0.00 0.00 177.57 178.72 3i69 h LYS 195 N 0.64 0.42 -0.41 1.57 3.64 -0.93 0.88 116.57 122.37 3i69 h LYS 195 Ca 0.13 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.47 3i69 h LYS 195 Cb 0.50 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 3i69 h LYS 195 CO 0.02 0.28 0.20 -0.22 -2.27 0.00 0.00 179.45 177.46 3i69 h LYS 196 N 0.43 0.57 0.00 1.90 3.64 -1.40 -2.55 116.57 119.17 3i69 h LYS 196 Ca 0.26 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.44 3i69 h LYS 196 Cb 0.26 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 3i69 h LYS 196 CO -0.24 0.45 -0.66 0.35 -2.27 0.00 0.00 179.45 177.07 3i69 h PHE 197 N 0.58 0.00 0.00 1.91 3.57 -0.70 -3.15 116.94 119.15 3i69 h PHE 197 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3i69 h PHE 197 Cb 0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.80 3i69 h PHE 197 CO 0.00 0.66 0.00 1.28 -2.23 0.00 0.00 178.31 178.03 3i69 n LEU 198 N -3.64 0.62 -4.84 0.59 4.77 0.13 -4.57 117.00 110.05 3i69 n LEU 198 Ca -0.01 0.56 -0.32 0.00 -0.03 0.00 0.00 56.01 56.22 3i69 n LEU 198 Cb 0.68 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.41 3i69 n LEU 198 CO 0.42 -0.14 0.71 -1.10 -1.33 0.00 0.00 177.39 175.95 3i69 s GLN 199 N -3.08 3.47 0.62 3.23 -0.21 -1.05 -5.00 119.66 117.64 3i69 s GLN 199 Ca 0.11 0.93 -0.19 0.00 0.02 0.00 0.00 55.36 56.24 3i69 s GLN 199 Cb 0.14 -2.06 -0.03 0.00 1.00 0.00 0.00 33.01 32.06 3i69 s GLN 199 CO 0.58 -0.67 1.19 -2.30 -2.12 0.00 0.00 175.29 171.96 3i69 n PRO 200 N -2.43 1.10 -0.02 2.91 -0.02 -1.26 -3.24 135.00 132.03 3i69 n PRO 200 Ca 0.07 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 3i69 n PRO 200 Cb 0.54 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 3i69 n PRO 200 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i69 n GLY 201 N 1.03 0.85 3.91 -1.23 0.00 -1.26 -5.06 105.19 103.44 3i69 n GLY 201 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.61 4.07 0.00 1.61 1.04 -1.20 -4.93 113.70 111.68 3i69 s SER 202 Ca 0.00 0.61 0.03 0.00 0.48 0.00 0.00 55.95 57.07 3i69 s SER 202 Cb 0.00 -0.97 0.17 0.00 0.10 0.00 0.00 66.02 65.33 3i69 s SER 202 CO 0.00 -2.16 0.69 -2.65 0.98 0.00 0.00 173.24 170.10 3i69 n PRO 203 N -3.45 0.54 -2.34 4.02 -0.02 -1.26 -4.83 135.00 127.66 3i69 n PRO 203 Ca 0.10 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.17 3i69 n PRO 203 Cb 0.60 -1.08 -0.03 0.00 -0.02 0.00 0.00 33.50 32.97 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 4.50 0.03 -0.52 3.52 -1.26 -5.01 118.95 118.22 3i69 s ARG 204 Ca 0.04 1.94 0.00 0.00 -0.13 0.00 0.00 55.73 57.59 3i69 s ARG 204 Cb 0.02 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.19 3i69 s ARG 204 CO 0.03 -0.02 0.14 0.15 -0.81 0.00 0.00 175.30 174.79 3i69 s LYS 205 N -0.95 3.21 0.83 5.12 -0.14 -1.26 -5.03 119.74 121.51 3i69 s LYS 205 Ca 0.50 -0.49 -0.12 0.00 -1.36 0.00 0.00 55.97 54.50 3i69 s LYS 205 Cb -0.34 -2.93 0.09 0.00 -1.68 0.00 0.00 37.83 32.97 3i69 s LYS 205 CO 0.42 0.62 1.14 -1.25 -0.76 0.00 0.00 175.35 175.52 3i69 s PRO 206 N -2.17 1.82 0.96 -1.68 0.04 -1.26 -4.80 135.00 127.91 3i69 s PRO 206 Ca 0.29 0.30 -0.10 0.00 0.04 0.00 0.00 61.00 61.53 3i69 s PRO 206 Cb -0.12 -1.92 0.17 0.00 0.04 0.00 0.00 34.50 32.67 3i69 s PRO 206 CO 0.21 -1.73 1.12 -2.30 0.04 0.00 0.00 177.00 174.35 3i69 n PRO 207 N -3.45 -0.76 -2.07 0.56 -0.02 -1.26 -4.37 135.00 123.63 3i69 n PRO 207 Ca 0.07 -0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 60.97 3i69 n PRO 207 Cb 0.59 -2.35 -0.03 0.00 -0.02 0.00 0.00 33.50 31.70 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 -4.60 4.29 0.43 0.52 0.04 -1.26 -5.00 135.00 129.42 3i69 s PRO 208 Ca 0.67 2.21 0.04 0.00 0.04 0.00 0.00 61.00 63.96 3i69 s PRO 208 Cb -0.23 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.18 3i69 s PRO 208 CO 0.59 -0.44 0.35 -0.40 0.04 0.00 0.00 177.00 177.14 3i69 n ASP 209 N 3.21 2.29 -0.14 6.66 3.85 -1.26 -4.99 116.55 126.16 3i69 n ASP 209 Ca 0.10 -2.44 -0.07 0.00 -0.71 0.00 0.00 54.79 51.67 3i69 n ASP 209 Cb 0.41 -0.06 0.02 0.00 -1.35 0.00 0.00 41.12 40.13 3i69 n ASP 209 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 3i69 h GLU 210 N 0.00 0.52 -0.66 0.11 5.08 -2.00 -2.54 114.58 115.10 3i69 h GLU 210 Ca -0.26 -0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.18 3i69 h GLU 210 Cb 0.99 -0.12 -0.08 0.00 0.50 0.00 0.00 28.75 30.04 3i69 h GLU 210 CO 0.41 0.34 0.24 0.82 -1.00 0.00 0.00 179.01 179.82 3i69 h ILE 211 N 0.53 0.72 -0.71 3.13 2.04 -2.00 -2.27 117.51 118.96 3i69 h ILE 211 Ca 0.17 -0.14 0.01 0.00 1.00 0.00 0.00 64.86 65.90 3i69 h ILE 211 Cb -0.00 0.28 -0.04 0.00 -0.74 0.00 0.00 36.82 36.32 3i69 h ILE 211 CO -0.07 0.07 0.47 0.22 0.00 0.00 0.00 178.15 178.84 3i69 h TYR 212 N 0.41 0.89 0.03 1.37 3.20 -1.85 -1.28 116.97 119.73 3i69 h TYR 212 Ca 0.34 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.23 3i69 h TYR 212 Cb 0.46 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.43 3i69 h TYR 212 CO -0.18 0.56 -0.03 0.28 -1.64 0.00 0.00 178.16 177.15 3i69 h VAL 213 N 0.95 0.93 0.00 1.81 2.07 -1.04 0.03 116.25 121.00 3i69 h VAL 213 Ca 0.26 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.67 3i69 h VAL 213 Cb -0.11 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3i69 h VAL 213 CO -0.06 0.00 -0.63 0.08 0.02 0.00 0.00 177.57 176.99 3i69 h ARG 214 N -0.07 0.00 -0.43 1.57 0.11 -1.43 -1.49 114.38 112.63 3i69 h ARG 214 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.08 3i69 h ARG 214 Cb 0.07 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.13 3i69 h ARG 214 CO -0.01 0.43 0.24 1.15 0.10 0.00 0.00 179.97 181.88 3i69 h THR 215 N 0.00 1.15 -0.51 0.08 2.02 -1.18 -1.47 112.91 113.00 3i69 h THR 215 Ca -0.03 -0.38 0.07 0.00 0.77 0.00 0.00 66.41 66.84 3i69 h THR 215 Cb 1.38 0.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.35 3i69 h THR 215 CO 0.06 0.16 0.18 0.58 0.37 0.00 0.00 175.52 176.87 3i69 h VAL 216 N 0.57 0.82 0.00 3.16 2.07 -0.52 -1.72 116.25 120.62 3i69 h VAL 216 Ca 0.15 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3i69 h VAL 216 Cb 0.04 0.43 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3i69 h VAL 216 CO -0.03 0.07 -0.12 1.88 0.02 0.00 0.00 177.57 179.39 3i69 h TYR 217 N 0.36 0.00 0.00 1.57 0.05 -1.11 -1.55 116.97 116.29 3i69 h TYR 217 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 3i69 h TYR 217 Cb 0.27 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.01 3i69 h TYR 217 CO -0.16 0.12 0.00 0.09 -1.05 0.00 0.00 178.16 177.15 3i69 n ASN 218 N -4.31 0.00 -0.01 3.88 3.02 -0.57 -4.11 115.26 113.16 3i69 n ASN 218 Ca -0.03 -0.24 -0.02 0.00 -0.03 0.00 0.00 54.58 54.26 3i69 n ASN 218 Cb 0.19 -0.21 -0.01 0.00 -0.61 0.00 0.00 39.78 39.14 3i69 n ASN 218 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 3i69 n ILE 219 N -1.21 0.16 0.00 2.41 5.41 -0.71 -3.57 119.36 121.85 3i69 n ILE 219 Ca 0.13 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.82 3i69 n ILE 219 Cb 0.16 -0.83 0.00 0.00 -0.71 0.00 0.00 39.64 38.26 3i69 n ILE 219 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04