#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i5g s THR 2 N 0.00 0.08 0.00 2.03 -4.23 -1.26 -4.81 115.64 107.45 3i5g s THR 2 Ca 0.00 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 3i5g s THR 2 Cb 0.00 -0.84 0.00 0.00 1.34 0.00 0.00 72.50 73.00 3i5g s THR 2 CO 0.00 -0.35 0.00 0.23 -0.54 0.00 0.00 174.62 173.96 3i5g n MET 3 N 0.80 0.00 -4.03 3.99 2.81 -1.26 -4.38 117.12 115.05 3i5g n MET 3 Ca -0.20 0.00 -0.31 0.00 -1.81 0.00 0.00 57.70 55.38 3i5g n MET 3 Cb 0.58 0.00 -0.15 0.00 -0.71 0.00 0.00 33.22 32.94 3i5g n MET 3 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3i5g s ASP 4 N -4.00 4.43 0.65 7.83 -1.08 -1.26 -4.95 116.67 118.29 3i5g s ASP 4 Ca 0.00 -1.58 0.31 0.00 -0.52 0.00 0.00 52.55 50.77 3i5g s ASP 4 Cb 0.00 -1.49 1.69 0.00 -1.46 0.00 0.00 42.92 41.66 3i5g s ASP 4 CO 0.00 -0.25 1.98 -0.26 0.52 0.00 0.00 175.17 177.15 3i5g h PHE 5 N 7.77 0.00 0.00 -5.34 0.05 -1.90 0.18 116.94 117.69 3i5g h PHE 5 Ca -0.15 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.64 3i5g h PHE 5 Cb 1.04 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.99 3i5g h PHE 5 CO 0.56 0.00 -0.96 0.43 -0.18 0.00 0.00 178.31 178.16 3i5g n SER 6 N -3.12 0.85 -4.70 2.17 7.64 -1.26 -4.15 113.62 111.05 3i5g n SER 6 Ca -0.00 -0.84 -0.42 0.00 1.01 0.00 0.00 58.87 58.61 3i5g n SER 6 Cb 0.39 1.09 -0.03 0.00 -1.01 0.00 0.00 64.21 64.64 3i5g n SER 6 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3i5g n ASP 7 N -1.50 4.00 -0.34 6.43 -0.08 0.05 -4.90 116.55 120.21 3i5g n ASP 7 Ca 0.03 1.01 0.09 0.00 -1.51 0.00 0.00 54.79 54.41 3i5g n ASP 7 Cb 0.31 -1.55 0.20 0.00 2.34 0.00 0.00 41.12 42.42 3i5g n ASP 7 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3i5g h PRO 8 N 7.99 0.01 -0.90 -0.67 0.11 -1.92 -2.03 132.00 134.59 3i5g h PRO 8 Ca -0.45 -0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.75 3i5g h PRO 8 Cb 1.22 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 3i5g h PRO 8 CO 0.95 0.01 0.58 -0.44 -0.21 0.00 0.00 178.00 178.88 3i5g h ASP 9 N 0.01 0.82 0.00 -2.05 3.32 -1.95 -2.13 116.42 114.44 3i5g h ASP 9 Ca 0.52 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.59 3i5g h ASP 9 Cb 0.93 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.33 3i5g h ASP 9 CO -0.95 0.49 0.00 0.23 -1.72 0.00 0.00 179.24 177.29 3i5g n MET 10 N -4.53 0.48 0.22 3.56 2.81 -0.76 -3.89 117.12 115.01 3i5g n MET 10 Ca 0.15 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.12 3i5g n MET 10 Cb 0.29 -1.16 0.50 0.00 -0.71 0.00 0.00 33.22 32.13 3i5g n MET 10 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 3i5g h GLU 11 N 0.36 0.00 -0.17 0.03 4.81 -1.55 -1.33 114.58 116.72 3i5g h GLU 11 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i5g h GLU 11 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 3i5g h GLU 11 CO 0.00 0.26 0.00 1.19 -0.73 0.00 0.00 179.01 179.73 3i5g n PHE 12 N -3.65 0.35 0.00 0.92 3.01 -1.25 -4.66 117.46 112.18 3i5g n PHE 12 Ca -0.01 -0.66 0.00 0.00 1.01 0.00 0.00 57.45 57.79 3i5g n PHE 12 Cb 0.38 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.74 3i5g n PHE 12 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3i5g n LEU 13 N -0.31 0.73 0.00 4.37 4.77 -1.14 -4.57 117.00 120.86 3i5g n LEU 13 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 3i5g n LEU 13 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3i5g n LEU 13 CO 0.06 0.12 0.00 0.00 -1.33 0.00 0.00 177.39 176.24 3i5g n LEU 15 N -2.20 0.00 -4.80 0.00 7.94 -1.26 -4.80 117.00 111.88 3i5g n LEU 15 Ca 0.00 0.00 -0.34 0.00 -1.11 0.00 0.00 56.01 54.56 3i5g n LEU 15 Cb 0.00 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 43.90 3i5g n LEU 15 CO 0.00 0.00 0.70 0.42 -1.11 0.00 0.00 177.39 177.40 3i5g s THR 16 N -0.19 3.97 0.24 1.96 -4.23 -1.26 -4.75 115.64 111.38 3i5g s THR 16 Ca 0.00 1.23 -0.15 0.00 -1.18 0.00 0.00 61.69 61.59 3i5g s THR 16 Cb 0.00 -3.50 0.29 0.00 1.34 0.00 0.00 72.50 70.63 3i5g s THR 16 CO 0.00 -0.26 1.54 -1.14 -0.54 0.00 0.00 174.62 174.22 3i5g n ARG 17 N -0.86 -0.20 -0.00 3.99 0.63 -1.26 0.52 116.66 119.48 3i5g n ARG 17 Ca 0.09 1.53 -0.12 0.00 -0.92 0.00 0.00 57.85 58.43 3i5g n ARG 17 Cb 0.53 -2.28 -0.07 0.00 0.45 0.00 0.00 32.46 31.09 3i5g n ARG 17 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3i5g h GLN 18 N 0.00 0.09 -0.28 -0.14 4.20 -1.97 0.23 115.11 117.25 3i5g h GLN 18 Ca 0.37 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.05 3i5g h GLN 18 Cb 0.62 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3i5g h GLN 18 CO -0.99 0.21 0.10 -0.22 -0.67 0.00 0.00 178.83 177.25 3i5g h LYS 19 N -0.04 0.39 0.17 1.46 3.64 -1.21 0.11 116.57 121.09 3i5g h LYS 19 Ca 0.02 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.08 3i5g h LYS 19 Cb 0.15 -0.08 0.03 0.00 -0.41 0.00 0.00 32.23 31.92 3i5g h LYS 19 CO -0.00 0.34 -1.16 1.25 -2.27 0.00 0.00 179.45 177.61 3i5g h LEU 20 N 0.39 0.73 -0.66 5.20 5.85 0.27 -0.98 115.31 126.11 3i5g h LEU 20 Ca 0.10 -0.89 0.13 0.00 0.84 0.00 0.00 57.88 58.06 3i5g h LEU 20 Cb 0.11 -0.24 -0.09 0.00 0.37 0.00 0.00 40.66 40.81 3i5g h LEU 20 CO -0.01 1.56 0.17 -0.03 -0.34 0.00 0.00 178.44 179.80 3i5g h MET 21 N 0.02 0.29 0.62 1.25 4.05 -0.09 0.32 114.93 121.38 3i5g h MET 21 Ca -0.19 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.18 3i5g h MET 21 Cb 1.89 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 32.63 3i5g h MET 21 CO 0.22 0.19 -0.30 1.49 0.23 0.00 0.00 176.91 178.75 3i5g h GLU 22 N 0.30 -0.80 -0.61 0.39 4.81 -0.77 -3.03 114.58 114.88 3i5g h GLU 22 Ca 0.36 0.05 0.13 0.00 -0.13 0.00 0.00 59.36 59.78 3i5g h GLU 22 Cb 0.56 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 3i5g h GLU 22 CO -0.43 -0.50 0.42 0.00 -0.73 0.00 0.00 179.01 177.77 3i5g h ALA 23 N -0.61 2.23 -0.01 2.92 0.00 -0.11 -1.84 119.26 121.84 3i5g h ALA 23 Ca -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3i5g h ALA 23 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3i5g h ALA 23 CO 0.14 -0.39 -0.02 2.41 0.00 0.00 0.00 179.25 181.39 3i5g n THR 24 N -4.44 0.00 0.01 0.00 -1.04 0.10 -4.02 114.28 104.89 3i5g n THR 24 Ca 0.11 -0.15 0.03 0.00 -2.04 0.00 0.00 64.05 62.00 3i5g n THR 24 Cb 0.50 0.12 0.05 0.00 -1.82 0.00 0.00 70.33 69.19 3i5g n THR 24 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3i5g n SER 25 N -0.35 2.10 -4.59 8.00 3.41 -0.69 -4.20 113.62 117.30 3i5g n SER 25 Ca 0.20 -1.75 -0.36 0.00 -0.26 0.00 0.00 58.87 56.71 3i5g n SER 25 Cb 0.27 -0.07 0.09 0.00 -0.26 0.00 0.00 64.21 64.24 3i5g n SER 25 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3i5g n ILE 26 N 0.07 2.52 -1.55 -1.33 -5.35 -1.24 -4.90 119.36 107.59 3i5g n ILE 26 Ca 0.05 -0.36 -0.38 0.00 -0.27 0.00 0.00 62.75 61.79 3i5g n ILE 26 Cb 0.27 -1.03 0.05 0.00 -1.74 0.00 0.00 39.64 37.18 3i5g n ILE 26 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 3i5g n PRO 27 N -1.74 0.71 -3.60 6.28 -0.02 -1.26 -4.88 135.00 130.50 3i5g n PRO 27 Ca 0.12 0.28 -0.10 0.00 -2.02 0.00 0.00 63.50 61.78 3i5g n PRO 27 Cb 0.50 -1.97 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 3i5g n PRO 27 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i5g s PHE 28 N -1.61 -0.40 -0.35 6.00 5.36 -1.26 -4.99 117.98 120.73 3i5g s PHE 28 Ca 0.73 0.82 0.01 0.00 -0.96 0.00 0.00 56.93 57.53 3i5g s PHE 28 Cb -0.43 0.42 0.14 0.00 -0.34 0.00 0.00 43.02 42.81 3i5g s PHE 28 CO 0.50 -0.29 0.29 0.34 -1.46 0.00 0.00 175.22 174.59 3i5g s ASP 29 N -0.58 2.03 0.32 6.13 2.15 -1.26 -4.99 116.67 120.47 3i5g s ASP 29 Ca 0.00 -1.65 0.09 0.00 0.43 0.00 0.00 52.55 51.42 3i5g s ASP 29 Cb -0.02 0.16 0.51 0.00 -0.30 0.00 0.00 42.92 43.27 3i5g s ASP 29 CO -0.02 -0.31 1.14 0.61 -0.17 0.00 0.00 175.17 176.43 3i5g n GLY 30 N 4.40 -0.51 0.04 2.66 0.00 -1.26 0.19 105.19 110.71 3i5g n GLY 30 Ca 0.08 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3i5g n GLY 30 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i5g n LYS 31 N -1.96 0.14 0.00 1.61 5.02 -1.26 -4.62 118.16 117.09 3i5g n LYS 31 Ca -0.01 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3i5g n LYS 31 Cb 0.44 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 3i5g n LYS 31 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i5g n LYS 32 N -1.86 0.00 -1.60 1.97 4.76 0.13 -4.90 118.16 116.66 3i5g n LYS 32 Ca 0.05 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.09 3i5g n LYS 32 Cb 0.39 -0.31 0.02 0.00 -1.84 0.00 0.00 35.03 33.29 3i5g n LYS 32 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3i5g n ASN 33 N -2.00 0.93 -3.59 4.39 4.13 -0.29 -1.98 115.26 116.85 3i5g n ASN 33 Ca 0.00 0.95 -0.01 0.00 1.68 0.00 0.00 54.58 57.20 3i5g n ASN 33 Cb 0.03 -1.35 0.01 0.00 -1.54 0.00 0.00 39.78 36.93 3i5g n ASN 33 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3i5g s TRP 35 N -2.28 3.54 -0.06 0.00 0.23 0.78 0.73 118.94 121.88 3i5g s TRP 35 Ca 0.22 0.48 -0.06 0.00 -2.03 0.00 0.00 56.10 54.71 3i5g s TRP 35 Cb -0.01 -1.91 0.02 0.00 0.03 0.00 0.00 33.47 31.59 3i5g s TRP 35 CO 0.02 0.70 0.17 0.54 0.96 0.00 0.00 176.95 179.34 3i5g s VAL 36 N -1.02 0.01 0.18 4.03 0.11 0.11 0.11 120.40 123.92 3i5g s VAL 36 Ca 0.15 -0.05 -0.32 0.00 -2.93 0.00 0.00 61.98 58.84 3i5g s VAL 36 Cb -0.12 -0.26 -0.11 0.00 -1.53 0.00 0.00 36.38 34.36 3i5g s VAL 36 CO 0.04 -0.03 1.70 -2.16 -3.33 0.00 0.00 175.10 171.33 3i5g s PRO 37 N -0.02 4.15 -0.21 1.54 0.04 -1.26 0.05 135.00 139.29 3i5g s PRO 37 Ca -0.01 2.54 0.01 0.00 0.04 0.00 0.00 61.00 63.58 3i5g s PRO 37 Cb -0.02 -3.19 0.05 0.00 0.04 0.00 0.00 34.50 31.38 3i5g s PRO 37 CO 0.00 -0.73 -0.10 0.34 0.04 0.00 0.00 177.00 176.55 3i5g s ASP 38 N 1.46 3.60 0.64 6.66 -1.08 -0.60 -4.82 116.67 122.53 3i5g s ASP 38 Ca 0.75 -1.00 0.20 0.00 -0.52 0.00 0.00 52.55 51.98 3i5g s ASP 38 Cb -0.47 -1.28 0.98 0.00 -1.46 0.00 0.00 42.92 40.69 3i5g s ASP 38 CO 0.32 -0.16 1.54 -0.65 0.52 0.00 0.00 175.17 176.74 3i5g h PRO 39 N 7.94 0.00 0.00 4.34 0.11 -1.95 -2.08 132.00 140.37 3i5g h PRO 39 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3i5g h PRO 39 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3i5g h PRO 39 CO 0.47 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.01 3i5g n ASP 40 N -2.94 0.00 -1.74 -2.05 9.92 -1.26 -4.70 116.55 113.77 3i5g n ASP 40 Ca 0.04 0.01 -0.14 0.00 -0.53 0.00 0.00 54.79 54.17 3i5g n ASP 40 Cb 0.78 -0.50 0.06 0.00 -0.64 0.00 0.00 41.12 40.82 3i5g n ASP 40 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3i5g n PHE 41 N -2.48 1.44 0.00 1.24 3.01 -1.21 -4.70 117.46 114.76 3i5g n PHE 41 Ca 0.00 -1.58 0.00 0.00 1.01 0.00 0.00 57.45 56.88 3i5g n PHE 41 Cb 0.00 -0.78 0.00 0.00 -0.01 0.00 0.00 39.48 38.69 3i5g n PHE 41 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i5g n GLY 42 N 0.12 0.37 3.04 1.37 0.00 -0.78 -4.61 105.19 104.69 3i5g n GLY 42 Ca 0.28 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 3i5g n GLY 42 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5g s PHE 43 N 0.00 0.07 0.02 1.61 0.40 -1.26 -1.56 117.98 117.26 3i5g s PHE 43 Ca 0.00 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 3i5g s PHE 43 Cb 0.00 -0.07 -0.02 0.00 0.51 0.00 0.00 43.02 43.44 3i5g s PHE 43 CO 0.00 -0.21 -0.03 0.08 0.70 0.00 0.00 175.22 175.76 3i5g s VAL 44 N -1.09 0.13 0.36 -0.44 1.01 0.11 -4.81 120.40 115.67 3i5g s VAL 44 Ca -0.12 -0.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 3i5g s VAL 44 Cb -0.07 -0.25 -0.10 0.00 0.00 0.00 0.00 36.38 35.97 3i5g s VAL 44 CO 0.01 -0.41 1.00 -0.83 0.00 0.00 0.00 175.10 174.87 3i5g s GLY 45 N -1.23 2.76 0.29 4.51 0.00 -1.26 0.05 107.32 112.44 3i5g s GLY 45 Ca -0.13 0.62 -0.09 0.00 0.00 0.00 0.00 44.72 45.12 3i5g s GLY 45 CO -0.01 1.05 0.55 0.00 0.00 0.00 0.00 173.10 174.69 3i5g n ALA 46 N 0.24 -1.11 -2.55 3.20 0.00 0.22 -2.23 120.51 118.28 3i5g n ALA 46 Ca 0.03 -1.01 -0.23 0.00 0.00 0.00 0.00 53.44 52.24 3i5g n ALA 46 Cb 0.50 0.80 -0.15 0.00 0.00 0.00 0.00 19.45 20.60 3i5g n ALA 46 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3i5g s GLU 47 N -2.18 1.22 0.25 0.00 2.02 0.16 0.13 118.70 120.31 3i5g s GLU 47 Ca 0.14 -0.61 -0.28 0.00 0.02 0.00 0.00 54.97 54.23 3i5g s GLU 47 Cb -0.03 -1.20 -0.09 0.00 0.10 0.00 0.00 34.13 32.91 3i5g s GLU 47 CO 0.10 0.32 0.92 0.42 0.02 0.00 0.00 175.26 177.04 3i5g s ILE 48 N -0.47 4.15 -0.08 -1.63 1.01 -0.84 -0.29 121.20 123.06 3i5g s ILE 48 Ca 0.05 1.97 -0.10 0.00 0.00 0.00 0.00 60.65 62.57 3i5g s ILE 48 Cb -0.06 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.14 3i5g s ILE 48 CO -0.00 0.42 -0.19 0.00 0.00 0.00 0.00 174.94 175.17 3i5g n GLN 49 N 1.29 0.29 -4.15 2.79 1.13 -0.25 -4.88 117.38 113.61 3i5g n GLN 49 Ca -0.02 0.12 -0.20 0.00 -1.94 0.00 0.00 57.00 54.96 3i5g n GLN 49 Cb 0.48 -0.98 -0.07 0.00 0.11 0.00 0.00 30.24 29.77 3i5g n GLN 49 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3i5g n SER 50 N -3.81 -0.10 -3.74 1.08 3.41 -1.17 -5.03 113.62 104.25 3i5g n SER 50 Ca -0.08 -3.05 -0.13 0.00 -0.26 0.00 0.00 58.87 55.34 3i5g n SER 50 Cb 0.29 1.39 -0.08 0.00 -0.26 0.00 0.00 64.21 65.55 3i5g n SER 50 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3i5g s THR 51 N -3.19 0.06 -0.29 6.66 2.01 -1.26 -2.26 115.64 117.36 3i5g s THR 51 Ca 0.32 -0.48 -0.16 0.00 0.31 0.00 0.00 61.69 61.68 3i5g s THR 51 Cb 0.02 -0.70 0.16 0.00 0.01 0.00 0.00 72.50 71.99 3i5g s THR 51 CO 0.23 -0.27 1.05 -0.75 -0.69 0.00 0.00 174.62 174.19 3i5g s LYS 52 N -1.55 0.29 1.75 4.92 2.20 -1.22 -5.01 119.74 121.12 3i5g s LYS 52 Ca -0.12 0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 3i5g s LYS 52 Cb -0.04 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.35 3i5g s LYS 52 CO 0.03 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 3i5g n GLY 53 N 3.59 1.37 2.78 5.54 0.00 -1.26 -0.86 105.19 116.35 3i5g n GLY 53 Ca -0.18 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 3i5g n GLY 53 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i5g n ASP 54 N -2.32 7.36 -3.30 1.61 8.00 -1.26 -4.72 116.55 121.92 3i5g n ASP 54 Ca 0.00 -3.68 -0.20 0.00 0.71 0.00 0.00 54.79 51.63 3i5g n ASP 54 Cb 0.00 -1.13 -0.08 0.00 -0.02 0.00 0.00 41.12 39.90 3i5g n ASP 54 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3i5g s GLU 55 N -3.60 0.77 0.49 -1.24 2.12 -0.04 -3.94 118.70 113.26 3i5g s GLU 55 Ca 0.51 -1.34 -0.18 0.00 0.36 0.00 0.00 54.97 54.32 3i5g s GLU 55 Cb 0.38 -0.91 -0.09 0.00 0.26 0.00 0.00 34.13 33.76 3i5g s GLU 55 CO -0.32 -1.28 0.98 0.08 -0.54 0.00 0.00 175.26 174.18 3i5g s VAL 56 N 0.88 4.41 -0.12 3.70 1.01 -0.50 -3.45 120.40 126.33 3i5g s VAL 56 Ca 0.24 1.29 -0.00 0.00 0.00 0.00 0.00 61.98 63.51 3i5g s VAL 56 Cb -0.08 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 3i5g s VAL 56 CO -0.08 -0.53 -0.12 -0.89 0.00 0.00 0.00 175.10 173.49 3i5g s THR 57 N -2.43 3.18 0.24 3.92 2.01 -0.96 -1.92 115.64 119.68 3i5g s THR 57 Ca 0.61 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.99 3i5g s THR 57 Cb -0.10 -2.34 -0.05 0.00 0.01 0.00 0.00 72.50 70.02 3i5g s THR 57 CO 0.24 0.53 0.10 -0.69 -0.69 0.00 0.00 174.62 174.11 3i5g s VAL 58 N 0.22 0.43 -0.06 3.82 1.01 -0.46 -1.09 120.40 124.27 3i5g s VAL 58 Ca -0.07 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 59.91 3i5g s VAL 58 Cb -0.15 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.68 3i5g s VAL 58 CO 0.05 -0.03 -0.03 -0.75 0.00 0.00 0.00 175.10 174.33 3i5g s LYS 59 N -4.06 0.83 0.50 2.72 2.20 0.61 -1.95 119.74 120.59 3i5g s LYS 59 Ca 0.37 -0.06 -0.05 0.00 -0.36 0.00 0.00 55.97 55.88 3i5g s LYS 59 Cb 0.08 -0.94 -0.02 0.00 -1.51 0.00 0.00 37.83 35.43 3i5g s LYS 59 CO 0.13 -0.16 0.80 0.95 -0.36 0.00 0.00 175.35 176.70 3i5g s THR 60 N 1.27 4.48 0.00 3.43 -4.23 -0.94 0.40 115.64 120.05 3i5g s THR 60 Ca -0.05 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.50 3i5g s THR 60 Cb -0.14 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 69.99 3i5g s THR 60 CO -0.02 -0.68 0.00 0.47 -0.54 0.00 0.00 174.62 173.85 3i5g n ASP 61 N -2.31 0.00 0.08 3.99 8.00 -0.95 -2.37 116.55 122.99 3i5g n ASP 61 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3i5g n ASP 61 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 3i5g n ASP 61 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i5g n LYS 62 N 0.00 0.01 0.00 -1.24 5.02 -1.26 -0.94 118.16 119.75 3i5g n LYS 62 Ca 0.00 0.23 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 3i5g n LYS 62 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 3i5g n LYS 62 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3i5g n THR 63 N -1.09 0.00 -1.85 -0.18 -2.24 -1.26 -5.14 114.28 102.52 3i5g n THR 63 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i5g n THR 63 Cb 0.46 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 3i5g n THR 63 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i5g n GLN 64 N -0.27 -5.01 0.00 -0.78 1.13 -0.11 -5.03 117.38 107.30 3i5g n GLN 64 Ca 0.00 3.60 0.00 0.00 -1.94 0.00 0.00 57.00 58.66 3i5g n GLN 64 Cb 0.01 -3.87 0.00 0.00 0.11 0.00 0.00 30.24 26.49 3i5g n GLN 64 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 3i5g n GLU 65 N 1.29 0.00 -2.80 -1.09 4.07 -1.26 -4.86 120.64 115.99 3i5g n GLU 65 Ca 0.00 0.00 -0.43 0.00 -0.06 0.00 0.00 57.16 56.67 3i5g n GLU 65 Cb 0.00 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.34 3i5g n GLU 65 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 3i5g s THR 66 N 0.00 4.34 0.18 6.31 2.01 -1.26 -2.22 115.64 125.00 3i5g s THR 66 Ca 0.00 0.39 0.07 0.00 0.31 0.00 0.00 61.69 62.46 3i5g s THR 66 Cb 0.00 -4.56 -0.04 0.00 0.01 0.00 0.00 72.50 67.91 3i5g s THR 66 CO 0.00 -1.14 0.04 -0.13 -0.69 0.00 0.00 174.62 172.70 3i5g s ARG 67 N 4.09 2.54 -0.51 4.92 0.52 -0.82 -4.95 118.95 124.74 3i5g s ARG 67 Ca 0.32 -1.07 -0.08 0.00 -0.52 0.00 0.00 55.73 54.39 3i5g s ARG 67 Cb -0.12 -2.43 0.13 0.00 0.52 0.00 0.00 34.95 33.06 3i5g s ARG 67 CO 0.20 0.45 0.37 0.08 0.02 0.00 0.00 175.30 176.43 3i5g s VAL 68 N -1.79 4.10 -0.02 3.52 1.01 -1.26 -1.36 120.40 124.61 3i5g s VAL 68 Ca 0.29 -2.07 -0.04 0.00 0.00 0.00 0.00 61.98 60.16 3i5g s VAL 68 Cb -0.09 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 3i5g s VAL 68 CO 0.20 -0.80 0.20 -0.69 0.00 0.00 0.00 175.10 174.01 3i5g s VAL 69 N 1.01 5.42 0.76 2.92 1.01 -0.81 -4.92 120.40 125.79 3i5g s VAL 69 Ca 0.09 -0.06 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3i5g s VAL 69 Cb -0.24 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.66 3i5g s VAL 69 CO -0.02 0.36 1.09 -0.54 0.00 0.00 0.00 175.10 175.98 3i5g s LYS 70 N -1.83 2.36 0.13 2.72 1.02 -1.26 -1.40 119.74 121.48 3i5g s LYS 70 Ca 0.26 1.14 -0.21 0.00 0.02 0.00 0.00 55.97 57.18 3i5g s LYS 70 Cb -0.13 -1.91 -0.02 0.00 -0.52 0.00 0.00 37.83 35.25 3i5g s LYS 70 CO 0.17 -1.56 1.69 0.87 -0.92 0.00 0.00 175.35 175.60 3i5g h LYS 71 N -1.06 -0.09 -1.66 1.68 1.57 -1.92 -1.29 116.57 113.80 3i5g h LYS 71 Ca -0.44 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3i5g h LYS 71 Cb 1.23 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.56 3i5g h LYS 71 CO 0.52 -0.06 0.00 -3.47 -0.57 0.00 0.00 179.45 175.87 3i5g n ASP 72 N -5.25 4.31 0.00 0.86 -0.08 -1.26 -2.31 116.55 112.82 3i5g n ASP 72 Ca -0.02 -2.19 0.00 0.00 -1.51 0.00 0.00 54.79 51.06 3i5g n ASP 72 Cb 0.17 -0.86 0.00 0.00 2.34 0.00 0.00 41.12 42.77 3i5g n ASP 72 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3i5g n ASP 73 N 1.17 0.03 -4.72 1.67 8.00 -0.49 -5.04 116.55 117.16 3i5g n ASP 73 Ca 0.00 -0.91 -0.39 0.00 0.71 0.00 0.00 54.79 54.20 3i5g n ASP 73 Cb 0.48 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 3i5g n ASP 73 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3i5g s ILE 74 N -0.00 5.12 -0.15 0.53 -4.36 -0.98 -4.28 121.20 117.08 3i5g s ILE 74 Ca 0.00 1.17 -0.02 0.00 -0.26 0.00 0.00 60.65 61.54 3i5g s ILE 74 Cb 0.00 -3.91 -0.02 0.00 1.25 0.00 0.00 42.46 39.78 3i5g s ILE 74 CO 0.00 0.30 -0.08 -0.83 0.24 0.00 0.00 174.94 174.57 3i5g s GLY 75 N 0.64 1.62 0.13 6.27 0.00 0.30 -4.93 107.32 111.35 3i5g s GLY 75 Ca 0.31 -0.90 -0.31 0.00 0.00 0.00 0.00 44.72 43.82 3i5g s GLY 75 CO 0.14 -0.05 1.59 1.20 0.00 0.00 0.00 173.10 175.98 3i5g s GLN 76 N 0.52 4.21 0.06 2.90 -0.21 -1.26 0.27 119.66 126.15 3i5g s GLN 76 Ca -0.06 2.35 -0.02 0.00 0.02 0.00 0.00 55.36 57.65 3i5g s GLN 76 Cb -0.15 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 30.52 3i5g s GLN 76 CO 0.03 -0.64 0.24 0.50 -2.12 0.00 0.00 175.29 173.31 3i5g s ARG 77 N 1.60 3.49 0.30 2.91 3.52 -1.26 -4.69 118.95 124.82 3i5g s ARG 77 Ca 0.71 -0.31 -0.28 0.00 -0.13 0.00 0.00 55.73 55.73 3i5g s ARG 77 Cb -0.42 -3.02 -0.09 0.00 -1.56 0.00 0.00 34.95 29.85 3i5g s ARG 77 CO 0.31 0.60 0.98 -0.80 -0.81 0.00 0.00 175.30 175.59 3i5g s ASN 78 N -2.29 7.37 0.97 -2.12 -0.87 -1.26 -4.96 114.94 111.78 3i5g s ASN 78 Ca 0.34 1.98 -0.11 0.00 -1.57 0.00 0.00 52.86 53.49 3i5g s ASN 78 Cb -0.13 -2.60 0.17 0.00 -0.02 0.00 0.00 41.25 38.68 3i5g s ASN 78 CO 0.24 -0.05 1.10 -2.16 -2.57 0.00 0.00 177.10 173.66 3i5g s PRO 79 N -1.69 0.61 0.49 -0.60 0.04 -1.26 -4.85 135.00 127.74 3i5g s PRO 79 Ca 0.47 1.20 0.30 0.00 0.04 0.00 0.00 61.00 63.01 3i5g s PRO 79 Cb -0.24 -1.71 1.39 0.00 0.04 0.00 0.00 34.50 33.99 3i5g s PRO 79 CO 0.30 -2.80 1.79 -1.35 0.04 0.00 0.00 177.00 174.98 3i5g h PRO 80 N -1.97 0.13 -0.60 0.56 0.11 -1.90 -0.89 132.00 127.44 3i5g h PRO 80 Ca -0.49 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.78 3i5g h PRO 80 Cb 1.29 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3i5g h PRO 80 CO 0.47 0.09 0.48 -0.22 -0.21 0.00 0.00 178.00 178.61 3i5g h LYS 81 N 0.14 0.00 -0.01 1.05 3.64 -1.91 -1.36 116.57 118.13 3i5g h LYS 81 Ca 0.58 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.96 3i5g h LYS 81 Cb 2.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 3i5g h LYS 81 CO -0.12 0.00 -0.34 1.19 -2.27 0.00 0.00 179.45 177.90 3i5g n PHE 82 N -4.13 0.00 -1.76 1.91 3.01 -0.34 -4.91 117.46 111.24 3i5g n PHE 82 Ca 0.12 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.19 3i5g n PHE 82 Cb 0.72 -0.16 0.04 0.00 -0.01 0.00 0.00 39.48 40.07 3i5g n PHE 82 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3i5g s GLU 83 N -2.66 3.21 -2.08 -1.08 0.41 -0.51 -1.77 118.70 114.23 3i5g s GLU 83 Ca 0.20 2.29 0.00 0.00 -0.41 0.00 0.00 54.97 57.05 3i5g s GLU 83 Cb 0.19 -2.32 0.00 0.00 -1.78 0.00 0.00 34.13 30.21 3i5g s GLU 83 CO 0.58 -1.15 0.00 -1.33 -0.49 0.00 0.00 175.26 172.87 3i5g n MET 84 N -0.90 -1.46 -1.62 1.61 2.81 -1.26 -4.89 117.12 111.41 3i5g n MET 84 Ca 0.10 1.16 -0.43 0.00 -1.81 0.00 0.00 57.70 56.71 3i5g n MET 84 Cb 0.44 -5.55 -0.00 0.00 -0.71 0.00 0.00 33.22 27.40 3i5g n MET 84 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3i5g n ASN 85 N -1.32 1.58 0.10 7.83 4.05 -0.73 -4.96 115.26 121.81 3i5g n ASN 85 Ca -0.20 1.13 -0.23 0.00 0.45 0.00 0.00 54.58 55.72 3i5g n ASN 85 Cb 0.65 -1.35 -0.15 0.00 1.23 0.00 0.00 39.78 40.16 3i5g n ASN 85 CO 0.00 0.00 0.00 0.24 -3.05 0.00 0.00 177.26 174.45 3i5g h MET 86 N 1.93 0.44 -4.61 1.20 2.86 -1.90 -3.45 114.93 111.40 3i5g h MET 86 Ca -0.43 -0.74 -0.62 0.00 -2.06 0.00 0.00 59.70 55.85 3i5g h MET 86 Cb 1.33 0.28 -0.37 0.00 0.06 0.00 0.00 31.60 32.90 3i5g h MET 86 CO 0.59 1.36 -0.81 0.34 1.06 0.00 0.00 176.91 179.45 3i5g s ASP 87 N -7.36 3.50 0.00 1.22 -1.08 -1.25 -1.09 116.67 110.61 3i5g s ASP 87 Ca -0.13 -0.94 0.00 0.00 -0.52 0.00 0.00 52.55 50.96 3i5g s ASP 87 Cb 0.04 -1.27 0.01 0.00 -1.46 0.00 0.00 42.92 40.24 3i5g s ASP 87 CO 0.88 -0.15 0.88 0.23 0.52 0.00 0.00 175.17 177.53 3i5g n MET 88 N 4.66 0.00 0.17 4.34 2.81 0.15 -0.56 117.12 128.68 3i5g n MET 88 Ca -0.15 0.37 0.03 0.00 -1.81 0.00 0.00 57.70 56.14 3i5g n MET 88 Cb 0.46 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.74 3i5g n MET 88 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i5g h ALA 89 N 2.01 0.99 0.00 3.04 0.00 -1.91 -2.79 119.26 120.60 3i5g h ALA 89 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3i5g h ALA 89 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i5g h ALA 89 CO 0.00 0.59 0.00 -0.91 0.00 0.00 0.00 179.25 178.93 3i5g h ASN 90 N 0.00 0.00 -3.45 0.00 2.35 -1.13 -3.40 115.58 109.95 3i5g h ASN 90 Ca -0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3i5g h ASN 90 Cb 0.97 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.47 3i5g h ASN 90 CO 0.06 0.00 0.39 0.18 -1.65 0.00 0.00 177.43 176.41 3i5g n LEU 91 N -2.74 3.76 0.03 1.61 4.77 -1.06 -4.90 117.00 118.47 3i5g n LEU 91 Ca 0.03 1.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.97 3i5g n LEU 91 Cb 0.38 -1.46 -0.13 0.00 -2.33 0.00 0.00 43.42 39.88 3i5g n LEU 91 CO 0.28 -0.94 -0.25 0.00 -1.33 0.00 0.00 177.39 175.15 3i5g h THR 92 N 1.79 1.22 -3.55 -5.08 1.03 -1.90 -3.42 112.91 103.00 3i5g h THR 92 Ca -0.47 -2.97 -0.67 0.00 -0.01 0.00 0.00 66.41 62.29 3i5g h THR 92 Cb 1.31 2.65 -0.28 0.00 -1.07 0.00 0.00 68.15 70.76 3i5g h THR 92 CO 0.58 0.75 -0.68 -0.36 -0.01 0.00 0.00 175.52 175.80 3i5g s PHE 93 N -2.64 3.09 -0.60 0.00 2.99 -1.26 -0.08 117.98 119.48 3i5g s PHE 93 Ca -0.04 -1.18 0.01 0.00 0.00 0.00 0.00 56.93 55.72 3i5g s PHE 93 Cb 0.08 -2.16 0.42 0.00 0.00 0.00 0.00 43.02 41.37 3i5g s PHE 93 CO 0.83 -0.62 1.73 1.28 -0.00 0.00 0.00 175.22 178.44 3i5g n LEU 94 N 4.78 6.68 -4.94 -0.37 4.77 -1.26 -4.79 117.00 121.87 3i5g n LEU 94 Ca -0.16 -4.64 -0.24 0.00 -0.03 0.00 0.00 56.01 50.93 3i5g n LEU 94 Cb 0.48 -0.80 0.01 0.00 -2.33 0.00 0.00 43.42 40.78 3i5g n LEU 94 CO 0.29 1.78 0.33 0.54 -1.33 0.00 0.00 177.39 179.00 3i5g s ASN 95 N -2.25 5.96 0.26 -1.43 2.20 -1.26 -4.87 114.94 113.55 3i5g s ASN 95 Ca 0.57 0.50 -0.06 0.00 -0.94 0.00 0.00 52.86 52.93 3i5g s ASN 95 Cb 0.46 -1.78 0.49 0.00 -2.00 0.00 0.00 41.25 38.41 3i5g s ASN 95 CO -0.12 -0.66 1.62 -0.08 -2.94 0.00 0.00 177.10 174.92 3i5g h GLU 96 N 0.34 0.08 0.06 3.55 4.81 -1.99 0.82 114.58 122.25 3i5g h GLU 96 Ca -0.47 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.78 3i5g h GLU 96 Cb 1.24 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 3i5g h GLU 96 CO 0.59 0.05 -0.21 0.00 -0.73 0.00 0.00 179.01 178.71 3i5g h ALA 97 N 1.77 -0.32 -0.44 2.92 0.00 -1.97 0.26 119.26 121.48 3i5g h ALA 97 Ca 0.45 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.36 3i5g h ALA 97 Cb 0.80 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3i5g h ALA 97 CO -0.74 -0.73 0.29 0.77 0.00 0.00 0.00 179.25 178.85 3i5g h SER 98 N -0.37 0.43 -0.22 0.00 0.02 -1.28 0.25 113.55 112.39 3i5g h SER 98 Ca 0.04 -0.01 -0.10 0.00 -0.84 0.00 0.00 61.79 60.89 3i5g h SER 98 Cb 0.42 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.85 3i5g h SER 98 CO -0.16 0.30 -0.25 0.40 -1.14 0.00 0.00 176.83 175.98 3i5g h ILE 99 N 0.51 1.32 -0.45 3.27 1.08 -0.04 -2.16 117.51 121.04 3i5g h ILE 99 Ca 0.17 -1.43 0.01 0.00 -0.39 0.00 0.00 64.86 63.22 3i5g h ILE 99 Cb 0.07 1.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.54 3i5g h ILE 99 CO -0.04 0.44 0.28 0.25 -0.69 0.00 0.00 178.15 178.40 3i5g h LEU 100 N 0.25 0.48 0.80 1.44 5.85 0.85 -2.58 115.31 122.41 3i5g h LEU 100 Ca 0.03 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 3i5g h LEU 100 Cb 0.82 -0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.74 3i5g h LEU 100 CO 0.06 0.35 -0.39 -0.74 -0.34 0.00 0.00 178.44 177.38 3i5g h HIS 101 N 0.58 -1.00 -0.73 1.25 2.76 -0.50 0.18 115.15 117.68 3i5g h HIS 101 Ca 0.17 -0.02 0.16 0.00 -2.20 0.00 0.00 60.37 58.48 3i5g h HIS 101 Cb -0.04 0.33 -0.13 0.00 1.55 0.00 0.00 27.41 29.13 3i5g h HIS 101 CO -0.05 -0.61 -0.03 -0.97 -1.30 0.00 0.00 177.93 174.97 3i5g h ASN 102 N -1.20 -0.39 -0.14 3.26 -0.00 -1.40 0.31 115.58 116.01 3i5g h ASN 102 Ca -0.11 0.19 -0.03 0.00 -0.00 0.00 0.00 56.30 56.35 3i5g h ASN 102 Cb 0.84 0.35 -0.00 0.00 -0.00 0.00 0.00 38.32 39.51 3i5g h ASN 102 CO 0.18 -0.18 -0.03 -0.07 -0.00 0.00 0.00 177.43 177.32 3i5g h LEU 103 N 0.09 0.27 0.77 0.34 3.38 -1.37 -2.84 115.31 115.95 3i5g h LEU 103 Ca 0.39 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3i5g h LEU 103 Cb 0.67 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.35 3i5g h LEU 103 CO -0.66 0.58 -0.37 -0.09 0.09 0.00 0.00 178.44 177.98 3i5g h ARG 104 N -0.03 -1.00 -1.25 1.13 2.43 0.92 -2.01 114.38 114.57 3i5g h ARG 104 Ca 0.04 0.07 0.40 0.00 -0.81 0.00 0.00 59.98 59.67 3i5g h ARG 104 Cb 0.46 0.23 -0.12 0.00 -0.42 0.00 0.00 29.97 30.11 3i5g h ARG 104 CO 0.01 -0.67 0.80 0.66 -1.51 0.00 0.00 179.97 179.27 3i5g h SER 105 N -1.10 0.29 0.91 -3.80 4.64 -0.58 0.54 113.55 114.45 3i5g h SER 105 Ca -0.11 0.13 -0.18 0.00 -0.47 0.00 0.00 61.79 61.17 3i5g h SER 105 Cb 0.79 0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 3i5g h SER 105 CO 0.17 -0.13 -0.84 0.03 -0.87 0.00 0.00 176.83 175.19 3i5g h ARG 106 N 0.15 0.00 0.00 4.77 3.08 -1.28 -3.09 114.38 118.02 3i5g h ARG 106 Ca 0.77 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 60.69 3i5g h ARG 106 Cb 2.33 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 32.36 3i5g h ARG 106 CO -0.40 0.84 -0.65 -0.92 -1.07 0.00 0.00 179.97 177.77 3i5g h TYR 107 N 0.00 0.00 -0.22 3.04 3.20 0.68 0.55 116.97 124.22 3i5g h TYR 107 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 3i5g h TYR 107 Cb 1.53 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.80 3i5g h TYR 107 CO 0.00 0.62 0.00 0.39 -1.64 0.00 0.00 178.16 177.53 3i5g n GLU 108 N -3.24 1.51 -0.27 1.82 1.02 0.38 -2.60 120.64 119.26 3i5g n GLU 108 Ca 0.01 -0.79 0.05 0.00 -0.02 0.00 0.00 57.16 56.42 3i5g n GLU 108 Cb 0.79 -1.18 0.08 0.00 -0.02 0.00 0.00 31.44 31.10 3i5g n GLU 108 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3i5g n SER 109 N 0.13 1.29 0.00 1.62 7.64 -1.17 -4.98 113.62 118.16 3i5g n SER 109 Ca 0.08 -2.60 0.00 0.00 1.01 0.00 0.00 58.87 57.36 3i5g n SER 109 Cb 0.19 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 3i5g n SER 109 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i5g n GLY 110 N -0.79 0.85 3.72 0.23 0.00 -1.07 -5.04 105.19 103.10 3i5g n GLY 110 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.75 3i5g n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5g s PHE 111 N -3.37 3.42 -0.05 1.61 0.40 0.19 -4.87 117.98 115.30 3i5g s PHE 111 Ca 0.00 0.39 0.16 0.00 -0.60 0.00 0.00 56.93 56.89 3i5g s PHE 111 Cb 0.00 -2.22 -0.24 0.00 0.51 0.00 0.00 43.02 41.07 3i5g s PHE 111 CO 0.00 0.25 0.29 0.44 0.70 0.00 0.00 175.22 176.91 3i5g n ILE 112 N 3.60 0.24 -3.72 0.64 -5.35 -1.26 -2.28 119.36 111.23 3i5g n ILE 112 Ca -0.15 -0.44 -0.36 0.00 -0.27 0.00 0.00 62.75 61.53 3i5g n ILE 112 Cb 0.52 -0.04 -0.07 0.00 -1.74 0.00 0.00 39.64 38.30 3i5g n ILE 112 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3i5g s TYR 113 N -2.98 3.48 -0.15 4.28 1.51 -1.26 -0.66 117.35 121.58 3i5g s TYR 113 Ca -0.06 0.46 -0.10 0.00 -1.01 0.00 0.00 57.07 56.35 3i5g s TYR 113 Cb 0.09 -2.14 0.05 0.00 -0.11 0.00 0.00 41.96 39.85 3i5g s TYR 113 CO 0.68 0.41 0.36 0.99 -1.11 0.00 0.00 175.55 176.88 3i5g s THR 114 N -0.03 -0.02 0.15 -0.71 2.01 0.54 -4.79 115.64 112.80 3i5g s THR 114 Ca 0.12 0.07 -0.15 0.00 0.31 0.00 0.00 61.69 62.04 3i5g s THR 114 Cb -0.12 -0.53 -0.07 0.00 0.01 0.00 0.00 72.50 71.79 3i5g s THR 114 CO 0.01 0.03 0.56 -0.31 -0.69 0.00 0.00 174.62 174.22 3i5g s TYR 115 N 0.91 3.61 -0.38 4.92 4.12 -0.25 0.80 117.35 131.09 3i5g s TYR 115 Ca -0.06 1.08 0.02 0.00 0.02 0.00 0.00 57.07 58.13 3i5g s TYR 115 Cb -0.06 -2.39 0.15 0.00 -1.52 0.00 0.00 41.96 38.14 3i5g s TYR 115 CO -0.07 0.42 0.29 0.45 0.02 0.00 0.00 175.55 176.66 3i5g s SER 116 N -1.72 2.10 1.42 2.29 0.15 -0.47 0.32 113.70 117.79 3i5g s SER 116 Ca 0.38 -2.33 0.00 0.00 0.70 0.00 0.00 55.95 54.70 3i5g s SER 116 Cb -0.15 -0.19 0.00 0.00 -1.71 0.00 0.00 66.02 63.97 3i5g s SER 116 CO 0.19 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.99 3i5g n GLY 117 N 3.69 1.93 0.18 9.45 0.00 -1.26 -2.21 105.19 116.97 3i5g n GLY 117 Ca 0.17 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.73 3i5g n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i5g h LEU 118 N 0.00 0.27-10.07 0.99 3.38 -1.97 -3.45 115.31 104.46 3i5g h LEU 118 Ca 0.00 -0.15 -0.54 0.00 0.09 0.00 0.00 57.88 57.29 3i5g h LEU 118 Cb 0.00 -0.08 0.12 0.00 0.09 0.00 0.00 40.66 40.79 3i5g h LEU 118 CO 0.00 0.78 0.52 -0.36 0.09 0.00 0.00 178.44 179.47 3i5g s PHE 119 N -3.85 2.37 -0.31 1.13 2.99 -0.94 -4.56 117.98 114.82 3i5g s PHE 119 Ca -0.04 1.47 0.03 0.00 0.00 0.00 0.00 56.93 58.38 3i5g s PHE 119 Cb 0.12 -3.61 0.08 0.00 0.00 0.00 0.00 43.02 39.62 3i5g s PHE 119 CO 0.79 -2.46 -0.01 0.00 -0.00 0.00 0.00 175.22 173.54 3i5g s ILE 121 N 1.02 5.00 -0.19 0.00 1.01 0.24 -2.09 121.20 126.19 3i5g s ILE 121 Ca 0.01 1.07 -0.03 0.00 0.00 0.00 0.00 60.65 61.71 3i5g s ILE 121 Cb -0.20 -3.85 0.06 0.00 0.01 0.00 0.00 42.46 38.48 3i5g s ILE 121 CO -0.06 0.44 0.04 0.00 0.00 0.00 0.00 174.94 175.35 3i5g s ALA 122 N -0.21 0.97 0.15 9.38 0.00 -0.98 -0.34 121.76 130.73 3i5g s ALA 122 Ca 0.28 -0.66 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 3i5g s ALA 122 Cb -0.17 -1.16 -0.07 0.00 0.00 0.00 0.00 23.12 21.72 3i5g s ALA 122 CO 0.14 -1.15 0.60 0.42 0.00 0.00 0.00 175.76 175.78 3i5g s ILE 123 N 1.87 4.76 0.08 0.00 1.01 0.17 -1.98 121.20 127.11 3i5g s ILE 123 Ca -0.01 1.03 -0.31 0.00 0.00 0.00 0.00 60.65 61.36 3i5g s ILE 123 Cb -0.17 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.41 3i5g s ILE 123 CO -0.08 0.30 1.81 0.21 0.00 0.00 0.00 174.94 177.18 3i5g s ASN 124 N -1.58 6.49 0.11 3.58 3.84 -0.85 -4.77 114.94 121.75 3i5g s ASN 124 Ca 0.37 2.64 0.09 0.00 0.21 0.00 0.00 52.86 56.18 3i5g s ASN 124 Cb -0.16 -2.56 -0.18 0.00 -0.55 0.00 0.00 41.25 37.80 3i5g s ASN 124 CO 0.20 -0.98 1.16 1.55 -2.79 0.00 0.00 177.10 176.24 3i5g h PRO 125 N 9.03 0.00 -5.05 0.43 0.13 -1.94 -3.44 132.00 131.16 3i5g h PRO 125 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.43 3i5g h PRO 125 Cb 1.22 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.50 3i5g h PRO 125 CO 0.94 0.81 -0.67 0.66 -0.23 0.00 0.00 178.00 179.51 3i5g n TYR 126 N -3.26 -1.92 0.00 1.56 0.53 -1.26 -4.11 117.16 108.70 3i5g n TYR 126 Ca -0.03 0.76 0.00 0.00 -1.02 0.00 0.00 57.90 57.61 3i5g n TYR 126 Cb 0.93 -4.30 0.00 0.00 -1.03 0.00 0.00 39.34 34.95 3i5g n TYR 126 CO 0.00 0.00 0.00 2.89 -1.02 0.00 0.00 176.86 178.73 3i5g n ARG 127 N -3.35 0.00 -1.88 -0.72 1.85 -1.26 -4.38 116.66 106.92 3i5g n ARG 127 Ca -0.17 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.27 3i5g n ARG 127 Cb 0.63 0.00 -0.01 0.00 -1.05 0.00 0.00 32.46 32.02 3i5g n ARG 127 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3i5g s ARG 128 N -0.90 4.17 0.12 2.89 0.52 -1.26 -5.00 118.95 119.48 3i5g s ARG 128 Ca 0.00 2.48 0.08 0.00 -0.52 0.00 0.00 55.73 57.77 3i5g s ARG 128 Cb 0.00 -3.02 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 3i5g s ARG 128 CO 0.00 -0.49 -0.19 -0.51 0.02 0.00 0.00 175.30 174.13 3i5g s LEU 129 N -1.40 2.34 0.30 2.53 1.43 -1.26 -5.05 118.68 117.57 3i5g s LEU 129 Ca 0.56 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3i5g s LEU 129 Cb -0.45 -0.80 0.56 0.00 0.03 0.00 0.00 46.19 45.52 3i5g s LEU 129 CO 0.55 0.00 1.87 1.55 0.23 0.00 0.00 176.35 180.56 3i5g h PRO 130 N 3.86 0.97 0.00 1.29 0.13 -1.96 -3.37 132.00 132.92 3i5g h PRO 130 Ca -0.44 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3i5g h PRO 130 Cb 1.19 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.10 3i5g h PRO 130 CO 0.43 0.64 0.00 -0.89 -0.23 0.00 0.00 178.00 177.95 3i5g n ILE 131 N -4.55 0.00 -2.02 -3.56 5.41 -1.26 -2.97 119.36 110.41 3i5g n ILE 131 Ca 0.16 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.62 3i5g n ILE 131 Cb 0.29 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.25 3i5g n ILE 131 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3i5g n TYR 132 N -0.77 3.07 -2.82 1.39 4.02 -1.26 -4.94 117.16 115.85 3i5g n TYR 132 Ca 0.00 -2.65 -0.39 0.00 -0.01 0.00 0.00 57.90 54.85 3i5g n TYR 132 Cb 0.00 -0.58 -0.06 0.00 -0.02 0.00 0.00 39.34 38.68 3i5g n TYR 132 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 3i5g s THR 133 N -4.99 4.20 -2.00 -0.72 2.01 -1.16 -4.90 115.64 108.08 3i5g s THR 133 Ca 0.53 1.89 0.11 0.00 0.31 0.00 0.00 61.69 64.53 3i5g s THR 133 Cb 0.43 -4.16 0.32 0.00 0.01 0.00 0.00 72.50 69.10 3i5g s THR 133 CO -0.10 0.36 1.11 0.00 -0.69 0.00 0.00 174.62 175.29 3i5g n GLN 134 N 1.14 0.48 -0.06 4.92 6.02 -1.26 0.25 117.38 128.87 3i5g n GLN 134 Ca -0.01 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.80 3i5g n GLN 134 Cb 0.49 -1.37 -0.14 0.00 1.02 0.00 0.00 30.24 30.24 3i5g n GLN 134 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i5g n GLY 135 N -0.04 -0.59 0.16 1.08 0.00 -1.26 -3.96 105.19 100.58 3i5g n GLY 135 Ca 0.08 -0.22 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 3i5g n GLY 135 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i5g h LEU 136 N 0.03 0.51 -0.99 0.99 3.38 -0.57 -2.96 115.31 115.70 3i5g h LEU 136 Ca -0.47 -0.55 0.33 0.00 0.09 0.00 0.00 57.88 57.28 3i5g h LEU 136 Cb 2.01 -0.15 -0.16 0.00 0.09 0.00 0.00 40.66 42.46 3i5g h LEU 136 CO 0.02 0.96 0.52 0.58 0.09 0.00 0.00 178.44 180.61 3i5g h VAL 137 N 0.08 0.23 0.00 1.22 2.07 -0.84 1.87 116.25 120.88 3i5g h VAL 137 Ca 0.01 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.35 3i5g h VAL 137 Cb 0.87 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3i5g h VAL 137 CO 0.06 0.04 -0.44 0.44 0.02 0.00 0.00 177.57 177.70 3i5g h ASP 138 N 0.24 0.00 -0.04 0.57 3.32 -1.65 0.35 116.42 119.21 3i5g h ASP 138 Ca 0.74 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.79 3i5g h ASP 138 Cb 1.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.28 3i5g h ASP 138 CO -0.65 0.44 0.00 0.29 -1.72 0.00 0.00 179.24 177.59 3i5g n LYS 139 N -3.67 1.12 0.00 3.56 5.02 0.63 -3.65 118.16 121.17 3i5g n LYS 139 Ca -0.01 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 3i5g n LYS 139 Cb 0.52 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 3i5g n LYS 139 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3i5g n TYR 140 N -0.45 0.00 -1.51 2.13 4.02 -0.76 -4.97 117.16 115.61 3i5g n TYR 140 Ca 0.07 0.00 -0.59 0.00 -0.01 0.00 0.00 57.90 57.37 3i5g n TYR 140 Cb 0.07 0.00 -0.08 0.00 -0.02 0.00 0.00 39.34 39.31 3i5g n TYR 140 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 176.86 173.72 3i5g n ARG 141 N -1.81 0.06 -0.36 -0.72 3.00 0.12 -0.72 116.66 116.23 3i5g n ARG 141 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 3i5g n ARG 141 Cb 0.27 -1.53 0.00 0.00 0.00 0.00 0.00 32.46 31.21 3i5g n ARG 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i5g n GLY 142 N 1.64 0.98 3.84 5.14 0.00 -1.26 -4.99 105.19 110.54 3i5g n GLY 142 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 3i5g n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5g s LYS 143 N -0.25 4.06 0.06 1.61 1.02 0.10 -5.06 119.74 121.28 3i5g s LYS 143 Ca 0.00 0.62 -0.27 0.00 0.02 0.00 0.00 55.97 56.35 3i5g s LYS 143 Cb 0.00 -2.81 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 3i5g s LYS 143 CO 0.00 0.38 0.83 -0.98 -0.92 0.00 0.00 175.35 174.67 3i5g s ARG 144 N -2.21 4.56 0.10 1.68 1.70 -1.26 -4.75 118.95 118.77 3i5g s ARG 144 Ca 0.43 1.19 -0.01 0.00 -0.47 0.00 0.00 55.73 56.88 3i5g s ARG 144 Cb -0.14 -3.37 0.21 0.00 -0.57 0.00 0.00 34.95 31.07 3i5g s ARG 144 CO 0.20 0.24 0.50 -2.13 -1.08 0.00 0.00 175.30 173.03 3i5g n ARG 145 N 2.88 -0.03 0.10 3.89 0.63 -1.26 0.26 116.66 123.12 3i5g n ARG 145 Ca -0.01 0.49 0.11 0.00 -0.92 0.00 0.00 57.85 57.52 3i5g n ARG 145 Cb 0.50 -0.76 0.45 0.00 0.45 0.00 0.00 32.46 33.10 3i5g n ARG 145 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3i5g n ALA 146 N -3.64 1.76 0.16 5.13 0.00 -1.26 -2.99 120.51 119.67 3i5g n ALA 146 Ca 0.07 0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.57 3i5g n ALA 146 Cb 0.22 -1.37 0.25 0.00 0.00 0.00 0.00 19.45 18.55 3i5g n ALA 146 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i5g h GLU 147 N 0.00 0.00 -5.89 0.00 5.08 -0.57 -3.46 114.58 109.74 3i5g h GLU 147 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3i5g h GLU 147 Cb 0.39 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.49 3i5g h GLU 147 CO 0.00 0.49 -0.75 -1.64 -1.00 0.00 0.00 179.01 176.10 3i5g s MET 148 N -3.57 1.46 0.78 2.33 -1.94 -1.16 -4.50 119.30 112.70 3i5g s MET 148 Ca -0.00 -1.63 -0.11 0.00 -1.71 0.00 0.00 55.69 52.24 3i5g s MET 148 Cb 0.11 -1.42 0.06 0.00 2.01 0.00 0.00 34.83 35.59 3i5g s MET 148 CO 0.72 0.26 1.09 -1.25 -0.01 0.00 0.00 175.02 175.83 3i5g s PRO 149 N -3.45 2.25 0.09 2.03 0.04 -1.26 -4.88 135.00 129.81 3i5g s PRO 149 Ca 0.24 1.07 -0.35 0.00 0.04 0.00 0.00 61.00 62.00 3i5g s PRO 149 Cb -0.03 -1.90 -0.18 0.00 0.04 0.00 0.00 34.50 32.42 3i5g s PRO 149 CO 0.10 -1.62 0.91 -2.30 0.04 0.00 0.00 177.00 174.12 3i5g n PRO 150 N -3.50 0.16 -3.64 0.56 -0.02 -1.26 -4.99 135.00 122.31 3i5g n PRO 150 Ca 0.08 0.06 -0.03 0.00 -2.02 0.00 0.00 63.50 61.59 3i5g n PRO 150 Cb 0.53 -1.40 -0.07 0.00 -0.02 0.00 0.00 33.50 32.55 3i5g n PRO 150 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3i5g s HIS 151 N -0.34 -0.39 0.39 6.00 2.46 -1.26 -4.83 115.29 117.33 3i5g s HIS 151 Ca 0.80 0.83 0.18 0.00 0.47 0.00 0.00 55.06 57.34 3i5g s HIS 151 Cb -1.10 0.32 1.09 0.00 -0.13 0.00 0.00 32.58 32.75 3i5g s HIS 151 CO 0.56 -0.19 1.78 1.25 -2.47 0.00 0.00 174.74 175.67 3i5g h LEU 152 N 5.01 0.46 -1.45 8.88 5.85 -1.96 0.27 115.31 132.36 3i5g h LEU 152 Ca -0.28 0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.56 3i5g h LEU 152 Cb 1.18 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.19 3i5g h LEU 152 CO 0.18 0.10 0.40 -0.26 -0.34 0.00 0.00 178.44 178.52 3i5g h PHE 153 N 0.41 0.70 0.43 1.25 0.05 -1.97 -1.38 116.94 116.43 3i5g h PHE 153 Ca 0.59 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 62.38 3i5g h PHE 153 Cb 1.46 -0.23 -0.01 0.00 2.00 0.00 0.00 35.95 39.17 3i5g h PHE 153 CO -0.00 0.41 -0.27 1.03 -0.18 0.00 0.00 178.31 179.29 3i5g h SER 154 N 0.73 -0.69 -0.78 2.17 0.87 -0.84 0.63 113.55 115.64 3i5g h SER 154 Ca 0.24 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 3i5g h SER 154 Cb 0.07 0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.20 3i5g h SER 154 CO -0.06 -0.43 0.41 -0.29 -0.53 0.00 0.00 176.83 175.93 3i5g h ILE 155 N -0.68 1.24 -0.42 2.23 2.10 -1.44 -0.09 117.51 120.45 3i5g h ILE 155 Ca -0.05 -0.61 -0.10 0.00 1.08 0.00 0.00 64.86 65.18 3i5g h ILE 155 Cb 0.56 0.21 -0.02 0.00 -1.09 0.00 0.00 36.82 36.49 3i5g h ILE 155 CO 0.04 0.27 -0.15 0.00 -1.08 0.00 0.00 178.15 177.23 3i5g h ALA 156 N 1.22 0.96 0.19 0.18 0.00 -1.02 -1.63 119.26 119.16 3i5g h ALA 156 Ca 0.27 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3i5g h ALA 156 Cb 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3i5g h ALA 156 CO -0.04 0.61 -0.09 0.22 0.00 0.00 0.00 179.25 179.95 3i5g h ASP 157 N 0.69 -0.22 -0.53 0.00 1.82 0.84 -2.47 116.42 116.55 3i5g h ASP 157 Ca 0.11 -0.24 0.06 0.00 -0.39 0.00 0.00 57.03 56.57 3i5g h ASP 157 Cb 0.63 0.06 -0.03 0.00 0.68 0.00 0.00 39.33 40.67 3i5g h ASP 157 CO 0.04 0.14 0.35 0.78 -1.61 0.00 0.00 179.24 178.95 3i5g h ASN 158 N -0.61 0.43 0.26 2.28 2.35 -1.03 0.44 115.58 119.71 3i5g h ASN 158 Ca -0.03 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.67 3i5g h ASN 158 Cb 0.45 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 3i5g h ASN 158 CO 0.04 0.29 -0.24 0.00 -1.65 0.00 0.00 177.43 175.87 3i5g h ALA 159 N 1.71 1.56 -0.03 -0.83 0.00 -1.16 0.43 119.26 120.94 3i5g h ALA 159 Ca 0.23 -0.21 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 3i5g h ALA 159 Cb 0.27 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3i5g h ALA 159 CO -0.06 0.30 -0.91 -0.92 0.00 0.00 0.00 179.25 177.65 3i5g h TYR 160 N 0.00 0.78 0.17 0.00 3.20 0.26 -2.35 116.97 119.03 3i5g h TYR 160 Ca -0.00 -0.40 -0.01 0.00 3.14 0.00 0.00 58.73 61.46 3i5g h TYR 160 Cb 0.43 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.60 3i5g h TYR 160 CO 0.00 1.22 -0.08 1.96 -1.64 0.00 0.00 178.16 179.62 3i5g h GLN 161 N 0.32 -0.22 -0.72 1.82 4.20 -0.37 -2.37 115.11 117.78 3i5g h GLN 161 Ca -0.08 0.01 0.15 0.00 0.06 0.00 0.00 58.65 58.79 3i5g h GLN 161 Cb 1.55 0.05 -0.10 0.00 0.30 0.00 0.00 27.48 29.27 3i5g h GLN 161 CO 0.17 0.15 0.19 1.88 -0.67 0.00 0.00 178.83 180.55 3i5g h TYR 162 N -0.65 0.30 -0.59 2.96 0.99 -1.01 0.94 116.97 119.91 3i5g h TYR 162 Ca -0.02 0.04 0.03 0.00 2.00 0.00 0.00 58.73 60.78 3i5g h TYR 162 Cb 0.47 -0.02 -0.04 0.00 1.00 0.00 0.00 36.73 38.14 3i5g h TYR 162 CO 0.05 -0.06 0.35 1.98 -0.00 0.00 0.00 178.16 180.48 3i5g h MET 163 N 0.29 0.67 0.00 4.88 4.05 -1.31 0.38 114.93 123.89 3i5g h MET 163 Ca 0.40 -0.04 -0.17 0.00 -0.28 0.00 0.00 59.70 59.62 3i5g h MET 163 Cb 0.67 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.29 3i5g h MET 163 CO -0.48 0.44 -0.79 -0.07 0.23 0.00 0.00 176.91 176.24 3i5g h LEU 164 N 0.69 0.00 0.29 3.39 3.38 -0.43 -1.38 115.31 121.25 3i5g h LEU 164 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 3i5g h LEU 164 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3i5g h LEU 164 CO -0.11 0.79 -0.14 1.56 0.09 0.00 0.00 178.44 180.63 3i5g h GLN 165 N 0.00 -0.38 -0.01 1.13 4.20 0.15 -3.36 115.11 116.85 3i5g h GLN 165 Ca -0.01 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3i5g h GLN 165 Cb 1.42 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.29 3i5g h GLN 165 CO 0.10 -0.25 -0.18 -0.25 -0.67 0.00 0.00 178.83 177.58 3i5g n ASP 166 N -4.15 0.78 -3.82 1.46 8.00 0.13 -4.96 116.55 113.99 3i5g n ASP 166 Ca -0.05 -0.76 -0.25 0.00 0.71 0.00 0.00 54.79 54.44 3i5g n ASP 166 Cb 0.15 0.03 0.02 0.00 -0.02 0.00 0.00 41.12 41.31 3i5g n ASP 166 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i5g n ARG 167 N -0.76 -4.80 -4.11 -1.24 1.74 -0.52 -5.00 116.66 101.96 3i5g n ARG 167 Ca 0.13 0.57 -0.14 0.00 -0.77 0.00 0.00 57.85 57.65 3i5g n ARG 167 Cb 0.32 -5.17 -0.11 0.00 -1.02 0.00 0.00 32.46 26.47 3i5g n ARG 167 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3i5g s GLU 168 N -6.28 0.67 0.72 5.56 -1.05 -1.24 -5.07 118.70 112.01 3i5g s GLU 168 Ca 0.22 -0.95 -0.16 0.00 -0.15 0.00 0.00 54.97 53.93 3i5g s GLU 168 Cb -0.11 -0.39 0.02 0.00 -0.44 0.00 0.00 34.13 33.20 3i5g s GLU 168 CO 0.83 0.06 1.09 0.09 0.95 0.00 0.00 175.26 178.28 3i5g n ASN 169 N 1.02 0.96 -4.46 0.83 3.02 -1.26 -4.53 115.26 110.84 3i5g n ASN 169 Ca -0.20 0.69 -0.23 0.00 -0.03 0.00 0.00 54.58 54.82 3i5g n ASN 169 Cb 0.56 -1.46 -0.10 0.00 -0.61 0.00 0.00 39.78 38.17 3i5g n ASN 169 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3i5g s GLN 170 N -3.48 1.63 -0.05 3.52 -1.52 0.49 -1.83 119.66 118.42 3i5g s GLN 170 Ca 0.76 -1.80 -0.08 0.00 -1.95 0.00 0.00 55.36 52.29 3i5g s GLN 170 Cb -0.34 -1.46 0.01 0.00 -0.22 0.00 0.00 33.01 31.00 3i5g s GLN 170 CO 0.48 0.16 0.19 -1.54 -0.25 0.00 0.00 175.29 174.33 3i5g s SER 171 N -3.49 -0.14 -0.17 5.90 1.04 -0.48 -0.95 113.70 115.42 3i5g s SER 171 Ca 0.29 0.21 0.01 0.00 0.48 0.00 0.00 55.95 56.94 3i5g s SER 171 Cb 0.01 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.50 3i5g s SER 171 CO 0.13 -0.19 -0.16 -0.04 0.98 0.00 0.00 173.24 173.96 3i5g s MET 172 N -0.44 2.56 -0.26 4.02 -1.94 0.20 -0.89 119.30 122.55 3i5g s MET 172 Ca -0.05 -0.69 -0.10 0.00 -1.71 0.00 0.00 55.69 53.14 3i5g s MET 172 Cb -0.04 -2.32 -0.04 0.00 2.01 0.00 0.00 34.83 34.45 3i5g s MET 172 CO 0.01 -0.24 0.14 -0.51 -0.01 0.00 0.00 175.02 174.41 3i5g s LEU 173 N 1.40 3.85 -0.14 -0.03 1.43 -0.35 -0.04 118.68 124.80 3i5g s LEU 173 Ca 0.04 -0.04 0.02 0.00 -1.03 0.00 0.00 54.13 53.13 3i5g s LEU 173 Cb -0.13 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.05 3i5g s LEU 173 CO -0.11 -0.01 -0.21 -0.63 0.23 0.00 0.00 176.35 175.62 3i5g s ILE 174 N 1.47 2.09 0.50 -0.59 1.01 -0.82 -1.67 121.20 123.20 3i5g s ILE 174 Ca 0.07 -0.96 0.08 0.00 0.00 0.00 0.00 60.65 59.83 3i5g s ILE 174 Cb -0.15 -1.84 0.03 0.00 0.01 0.00 0.00 42.46 40.51 3i5g s ILE 174 CO 0.07 0.55 0.55 0.42 0.00 0.00 0.00 174.94 176.52 3i5g s THR 175 N 0.85 2.27 0.00 2.92 -4.23 -0.98 -4.55 115.64 111.93 3i5g s THR 175 Ca -0.06 -1.22 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 3i5g s THR 175 Cb -0.15 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.20 3i5g s THR 175 CO -0.03 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3i5g n GLY 176 N -1.88 3.95 2.51 3.99 0.00 -1.26 -2.42 105.19 110.08 3i5g n GLY 176 Ca 0.07 -1.10 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 3i5g n GLY 176 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i5g n GLU 177 N 0.00 0.29 0.00 1.61 -0.58 -1.26 -4.75 120.64 115.95 3i5g n GLU 177 Ca 0.00 -1.82 0.00 0.00 -0.42 0.00 0.00 57.16 54.92 3i5g n GLU 177 Cb 0.00 -0.36 0.00 0.00 -0.57 0.00 0.00 31.44 30.51 3i5g n GLU 177 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3i5g n SER 178 N -2.85 0.00 -1.85 1.62 3.41 -1.26 -1.12 113.62 111.57 3i5g n SER 178 Ca 0.11 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.61 3i5g n SER 178 Cb 0.38 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.29 3i5g n SER 178 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i5g n GLY 179 N 0.00 3.23 0.01 5.00 0.00 -1.26 -3.65 105.19 108.51 3i5g n GLY 179 Ca 0.00 -0.81 0.09 0.00 0.00 0.00 0.00 46.02 45.30 3i5g n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5g n ALA 180 N 1.43 3.43 -2.23 4.61 0.00 -0.27 -4.35 120.51 123.13 3i5g n ALA 180 Ca 0.24 -0.48 -0.07 0.00 0.00 0.00 0.00 53.44 53.13 3i5g n ALA 180 Cb 0.64 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 19.43 3i5g n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5g n GLY 181 N 1.43 0.14 0.30 0.00 0.00 -1.24 -4.29 105.19 101.52 3i5g n GLY 181 Ca -0.01 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.51 3i5g n GLY 181 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3i5g h LYS 182 N -0.12 0.31 -0.05 1.61 3.64 -1.84 -2.52 116.57 117.61 3i5g h LYS 182 Ca -0.16 -0.02 -0.25 0.00 -1.27 0.00 0.00 60.65 58.95 3i5g h LYS 182 Cb 1.12 -0.07 0.02 0.00 -0.41 0.00 0.00 32.23 32.88 3i5g h LYS 182 CO 0.19 0.21 -0.96 1.79 -2.27 0.00 0.00 179.45 178.41 3i5g h THR 183 N 0.32 1.28 0.09 1.00 1.35 -1.93 -2.38 112.91 112.65 3i5g h THR 183 Ca 0.11 -2.17 0.01 0.00 -0.55 0.00 0.00 66.41 63.81 3i5g h THR 183 Cb 0.03 2.25 -0.02 0.00 -1.73 0.00 0.00 68.15 68.68 3i5g h THR 183 CO -0.02 0.68 -0.17 -0.33 -0.25 0.00 0.00 175.52 175.42 3i5g h GLU 184 N 0.43 -0.31 -0.74 4.72 5.08 -1.88 0.02 114.58 121.90 3i5g h GLU 184 Ca -0.10 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.41 3i5g h GLU 184 Cb 1.60 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.83 3i5g h GLU 184 CO 0.19 -0.21 0.31 -0.91 -1.00 0.00 0.00 179.01 177.39 3i5g h ASN 185 N -0.32 0.32 -0.12 1.42 2.35 -1.48 0.39 115.58 118.13 3i5g h ASN 185 Ca 0.03 0.10 -0.07 0.00 -0.55 0.00 0.00 56.30 55.80 3i5g h ASN 185 Cb 0.35 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 3i5g h ASN 185 CO -0.10 0.14 -0.12 0.74 -1.65 0.00 0.00 177.43 176.44 3i5g h THR 186 N 0.48 1.23 -0.01 2.81 2.02 -0.86 -0.15 112.91 118.41 3i5g h THR 186 Ca 0.39 -1.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.57 3i5g h THR 186 Cb 0.56 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3i5g h THR 186 CO -0.37 0.33 0.00 0.50 0.37 0.00 0.00 175.52 176.35 3i5g h LYS 187 N 0.44 0.02 0.00 6.66 3.64 0.14 -1.84 116.57 125.64 3i5g h LYS 187 Ca 0.08 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.42 3i5g h LYS 187 Cb 0.48 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 3i5g h LYS 187 CO 0.03 0.21 -0.20 0.87 -2.27 0.00 0.00 179.45 178.09 3i5g h LYS 188 N -0.17 0.00 -0.14 1.90 1.57 -0.02 -0.81 116.57 118.90 3i5g h LYS 188 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.56 3i5g h LYS 188 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.52 3i5g h LYS 188 CO -0.00 0.20 -0.80 0.28 -0.57 0.00 0.00 179.45 178.56 3i5g h VAL 189 N 0.00 1.28 -0.12 0.50 2.07 -0.87 -2.36 116.25 116.75 3i5g h VAL 189 Ca -0.00 -2.00 -0.15 0.00 0.82 0.00 0.00 66.70 65.36 3i5g h VAL 189 Cb 0.63 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3i5g h VAL 189 CO 0.03 0.63 -0.59 0.40 0.02 0.00 0.00 177.57 178.06 3i5g h ILE 190 N 0.52 1.35 -0.42 4.57 2.04 -0.92 -2.47 117.51 122.18 3i5g h ILE 190 Ca -0.06 -1.90 -0.00 0.00 1.00 0.00 0.00 64.86 63.90 3i5g h ILE 190 Cb 1.43 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 39.39 3i5g h ILE 190 CO 0.16 0.57 0.26 1.56 0.00 0.00 0.00 178.15 180.71 3i5g h GLN 191 N 0.29 0.57 -0.79 2.37 4.20 -1.13 -2.80 115.11 117.81 3i5g h GLN 191 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3i5g h GLN 191 Cb 1.11 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.73 3i5g h GLN 191 CO 0.10 0.41 0.50 -0.92 -0.67 0.00 0.00 178.83 178.25 3i5g h TYR 192 N 0.56 1.02 0.00 2.96 3.20 -1.28 0.24 116.97 123.67 3i5g h TYR 192 Ca 0.15 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3i5g h TYR 192 Cb -0.02 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 37.91 3i5g h TYR 192 CO -0.04 0.66 0.00 0.74 -1.64 0.00 0.00 178.16 177.89 3i5g h PHE 193 N 1.07 0.00 0.01 -3.82 0.04 -1.26 -2.31 116.94 110.67 3i5g h PHE 193 Ca 0.29 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.01 3i5g h PHE 193 Cb -0.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 3i5g h PHE 193 CO -0.01 0.00 -0.23 0.00 -0.60 0.00 0.00 178.31 177.47 3i5g h ALA 194 N 2.03 0.03 -0.58 2.45 0.00 -0.77 -2.70 119.26 119.71 3i5g h ALA 194 Ca 0.00 -0.61 0.07 0.00 0.00 0.00 0.00 54.91 54.38 3i5g h ALA 194 Cb 0.28 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3i5g h ALA 194 CO 0.00 0.12 0.39 -0.07 0.00 0.00 0.00 179.25 179.69 3i5g h LEU 195 N -0.94 0.45 0.00 0.00 3.38 -0.75 -2.33 115.31 115.12 3i5g h LEU 195 Ca -0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 3i5g h LEU 195 Cb 1.10 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3i5g h LEU 195 CO -0.01 0.29 -1.04 -0.37 0.09 0.00 0.00 178.44 177.40 3i5g h VAL 196 N 0.51 0.72 -0.76 1.22 -1.51 -1.55 -2.94 116.25 111.93 3i5g h VAL 196 Ca 0.26 -2.18 -0.05 0.00 -1.23 0.00 0.00 66.70 63.50 3i5g h VAL 196 Cb 0.36 2.24 -0.03 0.00 -2.13 0.00 0.00 31.29 31.73 3i5g h VAL 196 CO -0.07 0.41 0.30 0.00 -1.23 0.00 0.00 177.57 176.98 3i5g h ALA 197 N 1.42 0.99 -0.57 5.19 0.00 -1.07 -2.42 119.26 122.81 3i5g h ALA 197 Ca -0.09 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i5g h ALA 197 Cb 1.52 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i5g h ALA 197 CO 0.06 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3i5g n ALA 198 N -2.42 2.34 -0.03 0.00 0.00 -1.16 -4.50 120.51 114.73 3i5g n ALA 198 Ca 0.07 -1.20 -0.06 0.00 0.00 0.00 0.00 53.44 52.25 3i5g n ALA 198 Cb 0.19 -0.78 -0.05 0.00 0.00 0.00 0.00 19.45 18.80 3i5g n ALA 198 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i5g h SER 199 N 3.72 -0.05 0.00 0.00 0.87 -1.24 -3.43 113.55 113.41 3i5g h SER 199 Ca 0.00 -0.35 0.00 0.00 -1.23 0.00 0.00 61.79 60.21 3i5g h SER 199 Cb 0.91 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 3i5g h SER 199 CO 0.00 0.60 0.00 0.18 -0.53 0.00 0.00 176.83 177.08 3i5g n LEU 200 N -4.77 0.00 -2.69 2.23 4.77 -1.21 -4.34 117.00 110.99 3i5g n LEU 200 Ca -0.05 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.88 3i5g n LEU 200 Cb 0.19 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.35 3i5g n LEU 200 CO 0.15 0.00 0.49 0.00 -1.33 0.00 0.00 177.39 176.69 3i5g n ALA 201 N -0.08 -2.93 0.00 -1.18 0.00 -1.26 -5.20 120.51 109.85 3i5g n ALA 201 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 3i5g n ALA 201 Cb 0.00 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 16.77 3i5g n ALA 201 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5g n GLY 202 N 1.53 -1.71 3.58 0.00 0.00 -1.26 -5.24 105.19 102.09 3i5g n GLY 202 Ca 0.03 0.71 -0.22 0.00 0.00 0.00 0.00 46.02 46.54 3i5g n GLY 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5g s LYS 217 N 0.00 1.92 0.00 1.61 1.02 -1.26 -4.89 119.74 118.14 3i5g s LYS 217 Ca 0.00 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.16 3i5g s LYS 217 Cb 0.00 -5.13 0.00 0.00 -0.52 0.00 0.00 37.83 32.18 3i5g s LYS 217 CO 0.00 -4.64 0.00 0.41 -0.92 0.00 0.00 175.35 170.20 3i5g n GLY 218 N 5.97 3.18 3.93 -3.33 0.00 -1.26 -4.98 105.19 108.70 3i5g n GLY 218 Ca 0.43 -1.58 -0.27 0.00 0.00 0.00 0.00 46.02 44.61 3i5g n GLY 218 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i5g s THR 219 N -1.20 2.19 0.06 2.61 2.01 -1.26 -4.84 115.64 115.21 3i5g s THR 219 Ca 0.00 -0.23 -0.21 0.00 0.31 0.00 0.00 61.69 61.56 3i5g s THR 219 Cb 0.00 -2.96 -0.13 0.00 0.01 0.00 0.00 72.50 69.43 3i5g s THR 219 CO 0.00 0.00 1.51 0.25 -0.69 0.00 0.00 174.62 175.69 3i5g h LEU 220 N -0.80 0.22 -2.40 4.42 5.85 -1.99 0.15 115.31 120.77 3i5g h LEU 220 Ca -0.44 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.02 3i5g h LEU 220 Cb 1.30 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 3i5g h LEU 220 CO 0.56 0.45 0.08 -0.33 -0.34 0.00 0.00 178.44 178.86 3i5g h GLU 221 N -0.02 0.00 0.00 1.25 3.07 -1.91 -2.47 114.58 114.50 3i5g h GLU 221 Ca 0.04 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.77 3i5g h GLU 221 Cb 0.33 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.21 3i5g h GLU 221 CO 0.00 0.00 -2.13 -0.25 -1.40 0.00 0.00 179.01 175.24 3i5g n ASP 222 N -3.77 0.05 0.20 1.42 8.00 -1.00 -2.37 116.55 119.09 3i5g n ASP 222 Ca -0.01 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.54 3i5g n ASP 222 Cb 0.18 1.63 0.44 0.00 -0.02 0.00 0.00 41.12 43.35 3i5g n ASP 222 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 3i5g h GLN 223 N 0.00 0.00 0.09 -1.24 4.20 -0.26 -2.34 115.11 115.55 3i5g h GLN 223 Ca -0.20 0.00 -0.34 0.00 0.06 0.00 0.00 58.65 58.18 3i5g h GLN 223 Cb 1.44 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.19 3i5g h GLN 223 CO 0.01 0.30 -1.86 -0.89 -0.67 0.00 0.00 178.83 175.73 3i5g n ILE 224 N -3.99 1.70 0.27 2.54 5.41 -1.03 -4.00 119.36 120.27 3i5g n ILE 224 Ca -0.02 -0.49 0.13 0.00 1.00 0.00 0.00 62.75 63.37 3i5g n ILE 224 Cb 0.37 -1.80 0.78 0.00 -0.71 0.00 0.00 39.64 38.28 3i5g n ILE 224 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3i5g h VAL 225 N -0.23 0.59 -0.79 1.39 2.07 -1.50 -2.20 116.25 115.59 3i5g h VAL 225 Ca -0.42 -0.34 0.14 0.00 0.82 0.00 0.00 66.70 66.90 3i5g h VAL 225 Cb 1.84 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 32.76 3i5g h VAL 225 CO -0.01 0.08 0.52 1.56 0.02 0.00 0.00 177.57 179.74 3i5g h GLN 226 N 0.00 0.52 -0.08 1.57 4.20 -1.55 -2.71 115.11 117.05 3i5g h GLN 226 Ca -0.00 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3i5g h GLN 226 Cb 0.21 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 3i5g h GLN 226 CO 0.01 0.34 -0.13 0.00 -0.67 0.00 0.00 178.83 178.38 3i5g n ASN 228 N -4.62 0.11 -0.09 0.00 3.02 -1.02 -0.18 115.26 112.47 3i5g n ASN 228 Ca -0.07 0.61 -0.11 0.00 -0.03 0.00 0.00 54.58 54.98 3i5g n ASN 228 Cb 0.36 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 3i5g n ASN 228 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3i5g h PRO 229 N 0.00 0.45 0.23 3.52 0.11 -1.77 -1.13 132.00 133.41 3i5g h PRO 229 Ca 0.36 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.34 3i5g h PRO 229 Cb 1.10 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.15 3i5g h PRO 229 CO -0.23 0.56 -0.11 0.28 -0.21 0.00 0.00 178.00 178.29 3i5g h VAL 230 N 0.27 0.81 -0.97 3.15 2.07 -0.83 -2.11 116.25 118.65 3i5g h VAL 230 Ca 0.08 -0.75 0.16 0.00 0.82 0.00 0.00 66.70 67.01 3i5g h VAL 230 Cb 0.33 1.21 -0.09 0.00 -1.52 0.00 0.00 31.29 31.22 3i5g h VAL 230 CO 0.00 0.15 0.61 -0.07 0.02 0.00 0.00 177.57 178.29 3i5g h LEU 231 N -0.72 0.77 -0.83 2.57 3.38 -1.59 -0.43 115.31 118.45 3i5g h LEU 231 Ca -0.03 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 3i5g h LEU 231 Cb 0.49 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3i5g h LEU 231 CO 0.05 0.35 -0.53 -0.33 0.09 0.00 0.00 178.44 178.08 3i5g h GLU 232 N 0.79 0.00 -0.46 1.13 5.08 -1.16 -0.08 114.58 119.88 3i5g h GLU 232 Ca 0.51 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.80 3i5g h GLU 232 Cb 0.74 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 3i5g h GLU 232 CO -0.28 0.53 -0.01 0.00 -1.00 0.00 0.00 179.01 178.25 3i5g h ALA 233 N 1.47 1.13 0.00 3.43 0.00 -0.36 -0.79 119.26 124.14 3i5g h ALA 233 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3i5g h ALA 233 Cb 1.02 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3i5g h ALA 233 CO 0.07 0.56 -0.96 0.66 0.00 0.00 0.00 179.25 179.57 3i5g n TYR 234 N -4.22 0.00 -0.16 0.00 4.02 -1.08 -1.18 117.16 114.55 3i5g n TYR 234 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 3i5g n TYR 234 Cb 0.30 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 3i5g n TYR 234 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i5g n GLY 235 N 1.49 -0.36 3.72 2.72 0.00 -0.05 -4.95 105.19 107.76 3i5g n GLY 235 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3i5g n GLY 235 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i5g s ASN 236 N -0.23 4.50 0.02 1.61 -0.87 -0.31 0.22 114.94 119.88 3i5g s ASN 236 Ca 0.00 -0.91 -0.29 0.00 -1.57 0.00 0.00 52.86 50.09 3i5g s ASN 236 Cb 0.00 -0.61 0.11 0.00 -0.02 0.00 0.00 41.25 40.73 3i5g s ASN 236 CO 0.00 -0.37 1.23 0.00 -2.57 0.00 0.00 177.10 175.39 3i5g s ALA 237 N -2.50 -2.16 -0.20 0.60 0.00 -0.81 -2.29 121.76 114.40 3i5g s ALA 237 Ca 0.38 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.65 3i5g s ALA 237 Cb -0.00 0.49 -0.03 0.00 0.00 0.00 0.00 23.12 23.57 3i5g s ALA 237 CO 0.22 -1.07 0.50 0.21 0.00 0.00 0.00 175.76 175.62 3i5g s LYS 238 N -2.47 4.18 -0.19 0.00 2.20 -1.25 0.30 119.74 122.51 3i5g s LYS 238 Ca 0.16 0.37 0.01 0.00 -0.36 0.00 0.00 55.97 56.15 3i5g s LYS 238 Cb 0.03 -3.56 0.03 0.00 -1.51 0.00 0.00 37.83 32.82 3i5g s LYS 238 CO -0.02 -0.14 -0.17 0.95 -0.36 0.00 0.00 175.35 175.61 3i5g s THR 239 N 1.61 1.96 0.00 3.43 -4.23 0.17 -2.89 115.64 115.70 3i5g s THR 239 Ca 0.23 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.75 3i5g s THR 239 Cb -0.15 -1.84 0.00 0.00 1.34 0.00 0.00 72.50 71.84 3i5g s THR 239 CO 0.09 0.42 0.00 0.41 -0.54 0.00 0.00 174.62 175.00 3i5g n THR 240 N 4.62 0.00 -0.60 3.99 -1.04 -1.17 0.24 114.28 120.33 3i5g n THR 240 Ca -0.19 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 61.90 3i5g n THR 240 Cb 0.49 0.00 0.24 0.00 -1.82 0.00 0.00 70.33 69.24 3i5g n THR 240 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i5g n ARG 241 N 0.00 3.11 -3.66 -2.82 1.74 -1.26 -4.96 116.66 108.81 3i5g n ARG 241 Ca 0.00 -2.55 -0.07 0.00 -0.77 0.00 0.00 57.85 54.46 3i5g n ARG 241 Cb 0.00 -1.64 -0.08 0.00 -1.02 0.00 0.00 32.46 29.72 3i5g n ARG 241 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3i5g s ASN 242 N -1.34 -0.53 0.49 0.55 3.04 0.67 -5.04 114.94 112.78 3i5g s ASN 242 Ca 0.37 1.14 0.27 0.00 0.04 0.00 0.00 52.86 54.67 3i5g s ASN 242 Cb 0.25 1.46 1.24 0.00 -1.54 0.00 0.00 41.25 42.66 3i5g s ASN 242 CO 0.15 -0.22 1.96 0.78 -3.04 0.00 0.00 177.10 176.73 3i5g h ASN 243 N 7.89 0.00 -2.21 -4.21 2.35 -1.86 0.49 115.58 118.04 3i5g h ASN 243 Ca -0.20 0.00 -0.45 0.00 -0.55 0.00 0.00 56.30 55.09 3i5g h ASN 243 Cb 1.13 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 39.15 3i5g h ASN 243 CO 0.15 0.16 -0.75 0.21 -1.65 0.00 0.00 177.43 175.54 3i5g s ASN 244 N -6.11 1.91 -0.22 5.81 3.04 -1.25 -3.88 114.94 114.24 3i5g s ASN 244 Ca -0.01 -1.81 -0.04 0.00 0.04 0.00 0.00 52.86 51.04 3i5g s ASN 244 Cb 0.12 0.17 -0.01 0.00 -1.54 0.00 0.00 41.25 39.99 3i5g s ASN 244 CO 0.60 -0.28 -0.04 -0.55 -3.04 0.00 0.00 177.10 173.79 3i5g s SER 245 N 1.31 4.35 -0.09 -4.21 0.15 0.15 -4.78 113.70 110.57 3i5g s SER 245 Ca 0.17 -0.40 -0.29 0.00 0.70 0.00 0.00 55.95 56.13 3i5g s SER 245 Cb -0.18 -1.75 -0.05 0.00 -1.71 0.00 0.00 66.02 62.33 3i5g s SER 245 CO -0.02 -0.03 1.74 -0.44 1.20 0.00 0.00 173.24 175.69 3i5g s SER 246 N 1.48 6.48 -0.62 5.45 0.01 -1.26 -1.92 113.70 123.33 3i5g s SER 246 Ca 0.06 2.15 -0.02 0.00 1.31 0.00 0.00 55.95 59.44 3i5g s SER 246 Cb -0.14 -2.53 0.38 0.00 0.21 0.00 0.00 66.02 63.94 3i5g s SER 246 CO -0.03 -1.09 2.06 0.54 0.41 0.00 0.00 173.24 175.13 3i5g n ARG 247 N 7.43 2.52 -3.85 12.44 5.12 0.60 -4.40 116.66 136.52 3i5g n ARG 247 Ca 0.19 -2.96 -0.07 0.00 -1.93 0.00 0.00 57.85 53.07 3i5g n ARG 247 Cb 0.43 -2.16 -0.01 0.00 -1.16 0.00 0.00 32.46 29.56 3i5g n ARG 247 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 3i5g s PHE 248 N -3.42 -0.12 -0.03 -1.55 -0.12 -1.26 -1.23 117.98 110.25 3i5g s PHE 248 Ca 0.57 -0.39 0.06 0.00 -0.05 0.00 0.00 56.93 57.13 3i5g s PHE 248 Cb 0.45 0.74 -0.02 0.00 -0.63 0.00 0.00 43.02 43.56 3i5g s PHE 248 CO -0.06 -1.30 -0.22 0.20 -0.05 0.00 0.00 175.22 173.79 3i5g s GLY 249 N -2.96 1.36 -0.03 1.99 0.00 0.80 -4.39 107.32 104.10 3i5g s GLY 249 Ca 0.12 -1.07 0.04 0.00 0.00 0.00 0.00 44.72 43.81 3i5g s GLY 249 CO 0.08 -0.85 -0.13 -1.59 0.00 0.00 0.00 173.10 170.61 3i5g s LYS 250 N -0.60 1.28 -0.33 2.90 -2.85 -0.68 -0.57 119.74 118.89 3i5g s LYS 250 Ca 0.09 -0.46 -0.04 0.00 -1.00 0.00 0.00 55.97 54.56 3i5g s LYS 250 Cb -0.11 -1.17 0.06 0.00 -2.06 0.00 0.00 37.83 34.55 3i5g s LYS 250 CO -0.00 0.22 0.08 0.12 0.10 0.00 0.00 175.35 175.86 3i5g s PHE 251 N -0.03 3.32 -0.68 1.78 5.36 -0.39 -2.25 117.98 125.08 3i5g s PHE 251 Ca -0.01 -1.80 -0.21 0.00 -0.96 0.00 0.00 56.93 53.95 3i5g s PHE 251 Cb -0.08 -2.37 0.09 0.00 -0.34 0.00 0.00 43.02 40.31 3i5g s PHE 251 CO 0.01 -0.81 0.93 0.42 -1.46 0.00 0.00 175.22 174.31 3i5g s ILE 252 N 1.29 4.48 -0.40 3.12 1.01 -0.03 -2.22 121.20 128.45 3i5g s ILE 252 Ca -0.02 -0.65 -0.21 0.00 0.00 0.00 0.00 60.65 59.77 3i5g s ILE 252 Cb -0.20 -4.66 0.01 0.00 0.01 0.00 0.00 42.46 37.62 3i5g s ILE 252 CO -0.00 -1.40 0.69 -0.13 0.00 0.00 0.00 174.94 174.10 3i5g s ARG 253 N 3.60 3.52 -0.33 2.79 0.52 -0.41 -1.36 118.95 127.29 3i5g s ARG 253 Ca 0.21 -0.06 -0.17 0.00 -0.52 0.00 0.00 55.73 55.20 3i5g s ARG 253 Cb -0.17 -3.88 -0.01 0.00 0.52 0.00 0.00 34.95 31.42 3i5g s ARG 253 CO 0.07 -0.91 0.44 0.42 0.02 0.00 0.00 175.30 175.34 3i5g s ILE 254 N 2.92 5.09 0.48 1.52 1.01 -0.95 -2.25 121.20 129.02 3i5g s ILE 254 Ca 0.26 0.27 -0.06 0.00 0.00 0.00 0.00 60.65 61.12 3i5g s ILE 254 Cb -0.14 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3i5g s ILE 254 CO 0.18 -0.12 0.79 -1.00 0.00 0.00 0.00 174.94 174.80 3i5g s HIS 255 N 2.21 3.56 0.05 3.97 3.76 0.20 -1.59 115.29 127.44 3i5g s HIS 255 Ca 0.16 0.86 -0.01 0.00 -0.15 0.00 0.00 55.06 55.91 3i5g s HIS 255 Cb -0.16 -2.33 -0.03 0.00 1.11 0.00 0.00 32.58 31.16 3i5g s HIS 255 CO 0.12 -0.27 -0.02 -0.06 -0.85 0.00 0.00 174.74 173.66 3i5g s PHE 256 N -2.72 0.46 0.51 1.40 0.40 -0.08 -1.08 117.98 116.88 3i5g s PHE 256 Ca 0.48 -0.96 0.02 0.00 -0.60 0.00 0.00 56.93 55.88 3i5g s PHE 256 Cb -0.10 -0.34 0.10 0.00 0.51 0.00 0.00 43.02 43.18 3i5g s PHE 256 CO 0.44 -0.36 0.70 0.41 0.70 0.00 0.00 175.22 177.11 3i5g n GLY 257 N 0.34 1.07 0.00 4.36 0.00 0.46 0.81 105.19 112.24 3i5g n GLY 257 Ca -0.16 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 43.84 3i5g n GLY 257 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i5g n THR 258 N -2.32 1.37 0.76 2.61 -1.04 -1.26 -2.28 114.28 112.12 3i5g n THR 258 Ca 0.12 0.35 0.11 0.00 -2.04 0.00 0.00 64.05 62.59 3i5g n THR 258 Cb 0.44 -1.20 0.11 0.00 -1.82 0.00 0.00 70.33 67.87 3i5g n THR 258 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5g n GLN 259 N -1.52 2.10 -0.37 -2.82 1.13 -1.26 -4.91 117.38 109.72 3i5g n GLN 259 Ca 0.02 -1.88 0.00 0.00 -1.94 0.00 0.00 57.00 53.20 3i5g n GLN 259 Cb 0.11 -1.43 0.00 0.00 0.11 0.00 0.00 30.24 29.03 3i5g n GLN 259 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i5g n GLY 260 N 1.25 0.77 3.71 1.08 0.00 -0.97 -5.04 105.19 106.01 3i5g n GLY 260 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 3i5g n GLY 260 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i5g s LYS 261 N -0.63 4.50 -0.16 1.61 -2.85 -1.26 -4.53 119.74 116.42 3i5g s LYS 261 Ca 0.00 1.64 -0.29 0.00 -1.00 0.00 0.00 55.97 56.32 3i5g s LYS 261 Cb 0.00 -3.38 -0.05 0.00 -2.06 0.00 0.00 37.83 32.34 3i5g s LYS 261 CO 0.00 -0.15 1.95 0.42 0.10 0.00 0.00 175.35 177.68 3i5g s ILE 262 N 0.90 3.24 -1.55 3.79 1.01 -1.26 -0.40 121.20 126.93 3i5g s ILE 262 Ca 0.55 0.26 0.17 0.00 0.00 0.00 0.00 60.65 61.64 3i5g s ILE 262 Cb -0.27 -3.25 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 3i5g s ILE 262 CO 0.29 -0.12 0.89 0.00 0.00 0.00 0.00 174.94 176.01 3i5g n ALA 263 N 9.58 3.26 0.00 9.38 0.00 -0.24 -4.86 120.51 137.63 3i5g n ALA 263 Ca 0.24 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3i5g n ALA 263 Cb 0.44 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.29 3i5g n ALA 263 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5g n GLY 264 N 1.20 -1.10 3.60 0.00 0.00 -1.19 -4.46 105.19 103.23 3i5g n GLY 264 Ca 0.07 -1.29 -0.06 0.00 0.00 0.00 0.00 46.02 44.74 3i5g n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5g s ALA 265 N -1.00 -1.78 -0.11 4.61 0.00 -1.26 -0.63 121.76 121.60 3i5g s ALA 265 Ca 0.00 0.69 -0.33 0.00 0.00 0.00 0.00 51.96 52.32 3i5g s ALA 265 Cb 0.00 0.49 0.13 0.00 0.00 0.00 0.00 23.12 23.74 3i5g s ALA 265 CO 0.00 -0.83 1.25 0.16 0.00 0.00 0.00 175.76 176.34 3i5g s ASP 266 N -2.66 -0.10 -0.07 0.00 -4.77 -0.95 -4.31 116.67 103.81 3i5g s ASP 266 Ca 0.08 -0.07 0.03 0.00 -3.30 0.00 0.00 52.55 49.29 3i5g s ASP 266 Cb -0.01 0.15 0.01 0.00 -1.09 0.00 0.00 42.92 41.98 3i5g s ASP 266 CO -0.05 -0.26 -0.15 -0.63 0.70 0.00 0.00 175.17 174.78 3i5g s ILE 267 N -2.42 1.33 -0.06 2.11 1.01 -1.26 -1.28 121.20 120.63 3i5g s ILE 267 Ca 0.12 -0.60 0.05 0.00 0.00 0.00 0.00 60.65 60.22 3i5g s ILE 267 Cb 0.02 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 3i5g s ILE 267 CO -0.04 0.40 -0.22 -1.83 0.00 0.00 0.00 174.94 173.25 3i5g s GLU 268 N 0.53 2.55 0.19 2.79 -1.05 -0.94 -4.90 118.70 117.87 3i5g s GLU 268 Ca -0.14 -0.84 0.08 0.00 -0.15 0.00 0.00 54.97 53.92 3i5g s GLU 268 Cb -0.16 -2.24 -0.04 0.00 -0.44 0.00 0.00 34.13 31.26 3i5g s GLU 268 CO 0.05 0.45 -0.03 0.95 0.95 0.00 0.00 175.26 177.62 3i5g s THR 269 N -0.31 3.50 0.05 1.83 -4.23 -1.26 -1.27 115.64 113.95 3i5g s THR 269 Ca 0.01 -1.58 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 3i5g s THR 269 Cb -0.13 -2.77 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 3i5g s THR 269 CO 0.02 -0.15 0.02 -0.31 -0.54 0.00 0.00 174.62 173.67 3i5g s TYR 270 N -1.81 0.38 -1.27 3.99 1.51 0.27 -4.97 117.35 115.44 3i5g s TYR 270 Ca 0.27 -0.83 -0.05 0.00 -1.01 0.00 0.00 57.07 55.45 3i5g s TYR 270 Cb -0.09 -0.27 -0.01 0.00 -0.11 0.00 0.00 41.96 41.48 3i5g s TYR 270 CO 0.18 -0.37 0.68 1.28 -1.11 0.00 0.00 175.55 176.20 3i5g n LEU 271 N 0.41 -3.05 -4.72 -1.29 4.77 -1.26 -0.14 117.00 111.72 3i5g n LEU 271 Ca -0.16 -0.90 -0.42 0.00 -0.03 0.00 0.00 56.01 54.50 3i5g n LEU 271 Cb 0.60 -2.55 -0.03 0.00 -2.33 0.00 0.00 43.42 39.11 3i5g n LEU 271 CO 0.25 0.41 0.89 -0.22 -1.33 0.00 0.00 177.39 177.39 3i5g s LEU 272 N -6.59 4.38 -1.32 2.23 2.96 -1.26 -4.15 118.68 114.93 3i5g s LEU 272 Ca 0.14 2.06 -0.16 0.00 -0.22 0.00 0.00 54.13 55.95 3i5g s LEU 272 Cb -0.04 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.08 3i5g s LEU 272 CO 0.83 -0.46 2.08 1.21 -1.32 0.00 0.00 176.35 178.70 3i5g n GLU 273 N 3.73 2.67 -0.29 1.98 2.13 -0.36 -4.83 120.64 125.67 3i5g n GLU 273 Ca 0.08 -2.61 -0.00 0.00 0.66 0.00 0.00 57.16 55.30 3i5g n GLU 273 Cb 0.46 -3.29 0.06 0.00 0.27 0.00 0.00 31.44 28.94 3i5g n GLU 273 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 3i5g h LYS 274 N 6.71 -0.04 -0.57 5.31 1.57 -1.90 -2.32 116.57 125.32 3i5g h LYS 274 Ca 0.51 0.00 0.24 0.00 -1.87 0.00 0.00 60.65 59.53 3i5g h LYS 274 Cb 0.70 0.01 -0.10 0.00 0.08 0.00 0.00 32.23 32.91 3i5g h LYS 274 CO 1.80 -0.03 0.29 0.43 -0.57 0.00 0.00 179.45 181.37 3i5g n SER 275 N -5.50 0.19 0.25 0.86 7.64 -1.26 0.22 113.62 116.02 3i5g n SER 275 Ca 0.10 0.95 0.09 0.00 1.01 0.00 0.00 58.87 61.01 3i5g n SER 275 Cb 0.40 -0.46 0.65 0.00 -1.01 0.00 0.00 64.21 63.79 3i5g n SER 275 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 3i5g h ARG 276 N 0.00 0.00 -0.51 1.43 2.43 -1.59 -1.85 114.38 114.29 3i5g h ARG 276 Ca 0.48 0.00 0.13 0.00 -0.81 0.00 0.00 59.98 59.78 3i5g h ARG 276 Cb 1.26 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 3i5g h ARG 276 CO -0.44 0.00 0.36 0.28 -1.51 0.00 0.00 179.97 178.66 3i5g h VAL 277 N 0.00 0.79 0.00 0.20 2.07 0.24 -3.02 116.25 116.53 3i5g h VAL 277 Ca 0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3i5g h VAL 277 Cb 0.03 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3i5g h VAL 277 CO -0.00 0.02 -0.10 0.35 0.02 0.00 0.00 177.57 177.86 3i5g n THR 278 N -4.42 0.86 -3.64 2.57 -2.24 -0.76 -4.82 114.28 101.83 3i5g n THR 278 Ca 0.09 -0.98 -0.06 0.00 -2.27 0.00 0.00 64.05 60.83 3i5g n THR 278 Cb 0.51 0.38 -0.07 0.00 -2.10 0.00 0.00 70.33 69.05 3i5g n THR 278 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3i5g s TYR 279 N -1.16 -1.02 0.02 4.78 5.04 -0.80 -4.90 117.35 119.31 3i5g s TYR 279 Ca 0.10 2.03 0.05 0.00 -2.44 0.00 0.00 57.07 56.80 3i5g s TYR 279 Cb 0.08 0.61 -0.02 0.00 0.35 0.00 0.00 41.96 42.99 3i5g s TYR 279 CO 0.01 -0.51 -0.15 -0.65 -1.34 0.00 0.00 175.55 172.91 3i5g s GLN 280 N 1.65 1.06 -0.22 4.97 1.11 -1.26 -4.22 119.66 122.75 3i5g s GLN 280 Ca -0.10 -0.69 -0.05 0.00 0.01 0.00 0.00 55.36 54.53 3i5g s GLN 280 Cb -0.05 -1.07 -0.02 0.00 -1.01 0.00 0.00 33.01 30.86 3i5g s GLN 280 CO -0.19 0.28 -0.00 1.14 0.01 0.00 0.00 175.29 176.52 3i5g s GLN 281 N -0.86 3.52 0.69 2.91 -2.07 -1.26 -4.16 119.66 118.42 3i5g s GLN 281 Ca 0.04 -0.56 0.00 0.00 -1.82 0.00 0.00 55.36 53.02 3i5g s GLN 281 Cb -0.07 -3.10 0.00 0.00 -1.09 0.00 0.00 33.01 28.75 3i5g s GLN 281 CO 0.01 -0.12 0.00 0.45 -1.32 0.00 0.00 175.29 174.30 3i5g n SER 282 N 4.64 0.00 -2.55 12.60 2.88 -1.26 -2.31 113.62 127.61 3i5g n SER 282 Ca -0.17 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.07 3i5g n SER 282 Cb 0.51 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.94 3i5g n SER 282 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i5g n ALA 283 N 6.94 6.41 -3.96 -1.46 0.00 -1.26 -3.06 120.51 124.11 3i5g n ALA 283 Ca 0.00 -3.22 -0.17 0.00 0.00 0.00 0.00 53.44 50.05 3i5g n ALA 283 Cb 0.00 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 17.32 3i5g n ALA 283 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3i5g n GLU 284 N 0.52 0.40 -3.62 0.00 1.02 -0.98 -3.03 120.64 114.95 3i5g n GLU 284 Ca 0.49 -2.56 -0.08 0.00 -0.02 0.00 0.00 57.16 54.99 3i5g n GLU 284 Cb 0.49 2.20 -0.02 0.00 -0.02 0.00 0.00 31.44 34.09 3i5g n GLU 284 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 3i5g s ARG 285 N -2.96 1.31 0.22 3.49 1.70 -1.14 0.93 118.95 122.50 3i5g s ARG 285 Ca 0.30 -0.62 -0.04 0.00 -0.47 0.00 0.00 55.73 54.90 3i5g s ARG 285 Cb 0.01 0.51 0.06 0.00 -0.57 0.00 0.00 34.95 34.96 3i5g s ARG 285 CO 0.21 -0.59 0.13 -1.71 -1.08 0.00 0.00 175.30 172.26 3i5g n ASN 286 N -0.39 -2.29 -4.69 -2.89 2.85 -1.26 -4.37 115.26 102.22 3i5g n ASN 286 Ca -0.10 -0.13 -0.32 0.00 -0.11 0.00 0.00 54.58 53.92 3i5g n ASN 286 Cb 0.62 -0.15 0.15 0.00 1.24 0.00 0.00 39.78 41.63 3i5g n ASN 286 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 3i5g s TYR 287 N -1.15 1.74 0.13 1.20 2.02 -1.26 -4.48 117.35 115.56 3i5g s TYR 287 Ca 0.10 1.74 -0.19 0.00 -0.37 0.00 0.00 57.07 58.35 3i5g s TYR 287 Cb -0.02 -3.38 -0.02 0.00 -0.40 0.00 0.00 41.96 38.14 3i5g s TYR 287 CO 0.08 -2.77 1.73 0.45 -1.57 0.00 0.00 175.55 173.48 3i5g h HIS 288 N -1.44 0.06 -0.93 2.71 3.86 -1.44 -3.18 115.15 114.78 3i5g h HIS 288 Ca -0.44 0.01 0.27 0.00 -1.16 0.00 0.00 60.37 59.05 3i5g h HIS 288 Cb 1.28 0.01 -0.15 0.00 1.06 0.00 0.00 27.41 29.60 3i5g h HIS 288 CO 0.49 0.01 0.29 0.97 0.86 0.00 0.00 177.93 180.55 3i5g h ILE 289 N 0.12 0.24 -0.96 2.45 2.10 -1.46 -0.29 117.51 119.71 3i5g h ILE 289 Ca 0.10 -0.06 0.12 0.00 1.08 0.00 0.00 64.86 66.10 3i5g h ILE 289 Cb 0.11 0.04 -0.08 0.00 -1.09 0.00 0.00 36.82 35.80 3i5g h ILE 289 CO -0.15 0.03 0.59 -0.26 -1.08 0.00 0.00 178.15 177.29 3i5g h PHE 290 N 0.18 1.07 -0.00 2.19 0.04 -1.83 0.32 116.94 118.91 3i5g h PHE 290 Ca 0.62 0.03 0.00 0.00 2.80 0.00 0.00 57.97 61.42 3i5g h PHE 290 Cb 1.33 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 39.14 3i5g h PHE 290 CO -0.23 0.42 -0.14 0.66 -0.60 0.00 0.00 178.31 178.41 3i5g n TYR 291 N -4.66 0.00 -0.07 -0.55 4.02 -0.17 -3.14 117.16 112.59 3i5g n TYR 291 Ca 0.18 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.97 3i5g n TYR 291 Cb 0.35 -0.30 -0.06 0.00 -0.02 0.00 0.00 39.34 39.30 3i5g n TYR 291 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3i5g h GLN 292 N 0.22 0.00 -0.85 -0.72 4.20 -0.12 -3.36 115.11 114.48 3i5g h GLN 292 Ca 0.00 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.88 3i5g h GLN 292 Cb 0.42 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.10 3i5g h GLN 292 CO 0.00 0.47 0.40 -0.07 -0.67 0.00 0.00 178.83 178.96 3i5g h LEU 293 N -1.00 0.42 -2.97 1.46 3.38 -0.60 -1.44 115.31 114.56 3i5g h LEU 293 Ca -0.10 0.12 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 3i5g h LEU 293 Cb 0.71 0.06 -0.11 0.00 0.09 0.00 0.00 40.66 41.41 3i5g h LEU 293 CO -0.06 0.13 0.27 0.18 0.09 0.00 0.00 178.44 179.05 3i5g n LEU 294 N -4.95 5.06 -4.69 1.67 4.77 -1.19 -4.68 117.00 113.00 3i5g n LEU 294 Ca 0.18 -2.58 -0.25 0.00 -0.03 0.00 0.00 56.01 53.34 3i5g n LEU 294 Cb 0.50 -0.79 -0.08 0.00 -2.33 0.00 0.00 43.42 40.72 3i5g n LEU 294 CO 0.18 0.88 -0.23 -0.94 -1.33 0.00 0.00 177.39 175.94 3i5g s SER 295 N 0.32 4.34 -1.24 -1.43 1.04 -0.54 -4.30 113.70 111.87 3i5g s SER 295 Ca 0.22 -1.00 -0.16 0.00 0.48 0.00 0.00 55.95 55.49 3i5g s SER 295 Cb 0.18 -0.54 0.13 0.00 0.10 0.00 0.00 66.02 65.89 3i5g s SER 295 CO 0.02 -0.36 1.56 -2.16 0.98 0.00 0.00 173.24 173.28 3i5g s PRO 296 N -3.80 4.04 0.00 4.02 0.04 -1.26 -4.27 135.00 133.77 3i5g s PRO 296 Ca 0.37 -2.33 0.00 0.00 0.04 0.00 0.00 61.00 59.09 3i5g s PRO 296 Cb 0.01 -5.26 0.00 0.00 0.04 0.00 0.00 34.50 29.29 3i5g s PRO 296 CO 0.21 -1.97 0.00 0.00 0.04 0.00 0.00 177.00 175.28 3i5g n ALA 297 N 6.81 1.32 -3.03 8.56 0.00 -1.26 -4.95 120.51 127.96 3i5g n ALA 297 Ca 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.71 3i5g n ALA 297 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.89 3i5g n ALA 297 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i5g n PHE 298 N -0.85 -0.10 -0.28 0.00 3.01 -1.26 -5.01 117.46 112.97 3i5g n PHE 298 Ca 0.00 -3.38 0.12 0.00 1.01 0.00 0.00 57.45 55.20 3i5g n PHE 298 Cb 0.00 -0.11 0.24 0.00 -0.01 0.00 0.00 39.48 39.60 3i5g n PHE 298 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3i5g n PRO 299 N 0.20 -0.07 -0.17 -1.08 -0.02 -1.26 -0.52 135.00 132.08 3i5g n PRO 299 Ca 0.19 1.23 -0.04 0.00 -2.02 0.00 0.00 63.50 62.86 3i5g n PRO 299 Cb 0.70 -1.95 0.03 0.00 -0.02 0.00 0.00 33.50 32.25 3i5g n PRO 299 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3i5g h GLU 300 N 0.00 -0.10 -0.68 -0.52 4.11 -1.99 0.93 114.58 116.34 3i5g h GLU 300 Ca 0.50 0.01 0.07 0.00 0.07 0.00 0.00 59.36 60.00 3i5g h GLU 300 Cb 1.02 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.24 3i5g h GLU 300 CO -0.77 -0.07 0.36 -0.91 0.07 0.00 0.00 179.01 177.70 3i5g h ASN 301 N -0.11 0.52 0.00 3.06 2.35 -1.22 0.34 115.58 120.52 3i5g h ASN 301 Ca 0.24 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3i5g h ASN 301 Cb 0.49 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3i5g h ASN 301 CO -0.60 0.33 0.03 0.40 -1.65 0.00 0.00 177.43 175.94 3i5g h ILE 302 N 0.66 0.00 0.00 2.81 2.04 -0.71 0.16 117.51 122.46 3i5g h ILE 302 Ca 0.31 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.96 3i5g h ILE 302 Cb 0.23 0.58 -0.04 0.00 -0.74 0.00 0.00 36.82 36.85 3i5g h ILE 302 CO -0.20 0.00 -2.04 -0.62 0.00 0.00 0.00 178.15 175.28 3i5g n GLU 303 N -2.43 1.04 0.12 2.37 -0.58 0.91 -1.68 120.64 120.38 3i5g n GLU 303 Ca -0.02 -0.06 -0.03 0.00 -0.42 0.00 0.00 57.16 56.64 3i5g n GLU 303 Cb 0.07 -1.43 0.15 0.00 -0.57 0.00 0.00 31.44 29.66 3i5g n GLU 303 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3i5g h LYS 304 N 0.00 0.08 0.00 3.49 1.57 0.39 -2.54 116.57 119.56 3i5g h LYS 304 Ca -0.31 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.31 3i5g h LYS 304 Cb 1.64 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.95 3i5g h LYS 304 CO 0.02 0.67 -0.51 0.82 -0.57 0.00 0.00 179.45 179.88 3i5g h ILE 305 N 0.06 1.26 -1.19 1.86 2.04 -1.18 -3.48 117.51 116.88 3i5g h ILE 305 Ca -0.01 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.04 3i5g h ILE 305 Cb 1.10 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 3i5g h ILE 305 CO 0.09 0.50 0.00 0.18 0.00 0.00 0.00 178.15 178.92 3i5g n LEU 306 N -3.78 -1.69 -4.21 1.44 4.77 -0.96 -4.75 117.00 107.82 3i5g n LEU 306 Ca -0.01 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 3i5g n LEU 306 Cb 0.55 -0.42 -0.10 0.00 -2.33 0.00 0.00 43.42 41.12 3i5g n LEU 306 CO 0.40 0.00 -0.28 0.00 -1.33 0.00 0.00 177.39 176.18 3i5g s ALA 307 N -2.78 1.20 -0.13 -1.18 0.00 -0.68 -5.04 121.76 113.15 3i5g s ALA 307 Ca 0.00 -1.63 -0.00 0.00 0.00 0.00 0.00 51.96 50.33 3i5g s ALA 307 Cb 0.00 0.97 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 3i5g s ALA 307 CO 0.00 -0.47 -0.13 0.14 0.00 0.00 0.00 175.76 175.29 3i5g s VAL 308 N -3.94 3.03 0.00 0.00 -7.23 -1.26 -4.38 120.40 106.61 3i5g s VAL 308 Ca 0.30 -0.67 -0.17 0.00 -1.81 0.00 0.00 61.98 59.64 3i5g s VAL 308 Cb 0.07 -2.27 -0.21 0.00 0.56 0.00 0.00 36.38 34.53 3i5g s VAL 308 CO 0.07 0.52 1.10 -0.81 -0.31 0.00 0.00 175.10 175.68 3i5g n PRO 309 N 3.54 0.00 -3.05 4.82 -0.04 -1.26 -4.51 135.00 134.50 3i5g n PRO 309 Ca -0.18 -0.57 -0.14 0.00 -0.04 0.00 0.00 63.50 62.57 3i5g n PRO 309 Cb 0.53 -1.87 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 3i5g n PRO 309 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i5g s ASP 310 N 5.22 -0.19 0.31 3.54 -1.08 -1.26 -4.93 116.67 118.27 3i5g s ASP 310 Ca 0.38 -2.24 0.06 0.00 -0.52 0.00 0.00 52.55 50.23 3i5g s ASP 310 Cb 0.08 0.91 0.85 0.00 -1.46 0.00 0.00 42.92 43.30 3i5g s ASP 310 CO 0.19 -0.11 1.61 1.55 0.52 0.00 0.00 175.17 178.93 3i5g h PRO 311 N 5.40 0.10 0.00 4.34 0.13 -1.81 -0.92 132.00 139.24 3i5g h PRO 311 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 3i5g h PRO 311 Cb 1.03 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3i5g h PRO 311 CO 0.16 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 178.41 3i5g n GLY 312 N -1.40 0.00 1.48 1.56 0.00 -1.26 -2.79 105.19 102.78 3i5g n GLY 312 Ca 0.25 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.36 3i5g n GLY 312 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i5g n LEU 313 N -0.82 4.64 -3.71 0.99 4.77 -0.35 -4.82 117.00 117.68 3i5g n LEU 313 Ca 0.00 -2.50 -0.28 0.00 -0.03 0.00 0.00 56.01 53.20 3i5g n LEU 313 Cb 0.00 -0.56 -0.16 0.00 -2.33 0.00 0.00 43.42 40.37 3i5g n LEU 313 CO 0.00 0.78 -0.35 -0.31 -1.33 0.00 0.00 177.39 176.18 3i5g s TYR 314 N -1.94 1.10 0.56 -1.77 1.51 -1.12 -5.01 117.35 110.68 3i5g s TYR 314 Ca 0.49 -1.05 0.49 0.00 -1.01 0.00 0.00 57.07 55.98 3i5g s TYR 314 Cb 0.32 -1.17 1.72 0.00 -0.11 0.00 0.00 41.96 42.72 3i5g s TYR 314 CO 0.22 -0.69 1.59 0.78 -1.11 0.00 0.00 175.55 176.33 3i5g h GLY 315 N 8.23 0.00 1.29 0.71 0.00 -1.87 1.20 103.07 112.63 3i5g h GLY 315 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3i5g h GLY 315 CO 0.38 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.61 3i5g n PHE 316 N -3.94 0.00 0.00 5.60 0.99 -1.26 -3.96 117.46 114.89 3i5g n PHE 316 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.88 3i5g n PHE 316 Cb 1.96 -0.14 0.00 0.00 -1.00 0.00 0.00 39.48 40.29 3i5g n PHE 316 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.76 175.87 3i5g n ILE 317 N -1.14 0.00 0.99 4.37 5.41 0.40 -4.56 119.36 124.82 3i5g n ILE 317 Ca 0.19 0.00 0.14 0.00 1.00 0.00 0.00 62.75 64.08 3i5g n ILE 317 Cb 0.18 -0.46 0.62 0.00 -0.71 0.00 0.00 39.64 39.26 3i5g n ILE 317 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3i5g n ASN 318 N -1.44 0.01 -0.33 4.38 0.23 -0.02 -4.31 115.26 113.78 3i5g n ASN 318 Ca 0.00 0.50 0.17 0.00 -0.53 0.00 0.00 54.58 54.72 3i5g n ASN 318 Cb 0.26 -0.50 0.38 0.00 -2.08 0.00 0.00 39.78 37.84 3i5g n ASN 318 CO 0.00 0.00 0.00 1.56 -0.93 0.00 0.00 177.26 177.89 3i5g h GLN 319 N 0.00 0.48 0.00 -3.83 4.20 -1.83 -3.42 115.11 110.72 3i5g h GLN 319 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3i5g h GLN 319 Cb 0.50 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3i5g h GLN 319 CO 0.00 0.32 0.00 0.41 -0.67 0.00 0.00 178.83 178.89 3i5g n GLY 320 N -1.31 0.64 3.95 3.46 0.00 -1.26 -4.44 105.19 106.22 3i5g n GLY 320 Ca 0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 3i5g n GLY 320 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i5g s THR 321 N 3.33 3.75 -0.22 2.61 2.01 0.26 -4.89 115.64 122.50 3i5g s THR 321 Ca 0.00 -0.45 0.08 0.00 0.31 0.00 0.00 61.69 61.63 3i5g s THR 321 Cb 0.00 -3.40 -0.21 0.00 0.01 0.00 0.00 72.50 68.90 3i5g s THR 321 CO 0.00 -0.30 -0.03 0.18 -0.69 0.00 0.00 174.62 173.78 3i5g n LEU 322 N -2.19 1.73 -4.02 4.42 4.77 -1.26 -4.71 117.00 115.74 3i5g n LEU 322 Ca 0.03 -0.03 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 3i5g n LEU 322 Cb 0.58 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 3i5g n LEU 322 CO 0.48 0.74 0.02 0.42 -1.33 0.00 0.00 177.39 177.71 3i5g s THR 323 N -2.52 0.03 0.08 -5.08 -4.23 -1.26 -4.99 115.64 97.68 3i5g s THR 323 Ca -0.23 -1.51 0.10 0.00 -1.18 0.00 0.00 61.69 58.86 3i5g s THR 323 Cb 0.08 -2.11 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 3i5g s THR 323 CO 0.71 -0.12 -0.26 -0.69 -0.54 0.00 0.00 174.62 173.72 3i5g s VAL 324 N -4.03 2.12 0.17 2.29 1.01 -1.26 -5.11 120.40 115.60 3i5g s VAL 324 Ca 0.24 -1.53 -0.30 0.00 0.00 0.00 0.00 61.98 60.38 3i5g s VAL 324 Cb 0.02 -1.85 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 3i5g s VAL 324 CO 0.06 0.22 1.23 -1.81 0.00 0.00 0.00 175.10 174.80 3i5g s ASP 325 N -1.61 7.03 -0.16 3.32 1.01 -1.26 -2.89 116.67 122.11 3i5g s ASP 325 Ca 0.12 2.26 0.00 0.00 0.71 0.00 0.00 52.55 55.63 3i5g s ASP 325 Cb -0.10 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.23 3i5g s ASP 325 CO 0.04 -0.43 0.00 0.61 0.21 0.00 0.00 175.17 175.60 3i5g n GLY 326 N 2.40 0.48 2.88 0.21 0.00 -1.26 -5.03 105.19 104.87 3i5g n GLY 326 Ca 0.06 -1.01 -0.21 0.00 0.00 0.00 0.00 46.02 44.85 3i5g n GLY 326 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3i5g s ILE 327 N -2.06 0.58 -0.47 -0.61 2.07 -1.14 -5.10 121.20 114.47 3i5g s ILE 327 Ca 0.00 -0.11 -0.06 0.00 -1.41 0.00 0.00 60.65 59.07 3i5g s ILE 327 Cb 0.00 -0.63 0.12 0.00 0.13 0.00 0.00 42.46 42.09 3i5g s ILE 327 CO 0.00 0.25 0.30 -0.62 -1.91 0.00 0.00 174.94 172.97 3i5g s ASP 328 N 1.17 5.47 0.16 4.50 -1.08 -1.26 -4.72 116.67 120.91 3i5g s ASP 328 Ca -0.07 -2.10 -0.16 0.00 -0.52 0.00 0.00 52.55 49.70 3i5g s ASP 328 Cb -0.14 -1.92 0.08 0.00 -1.46 0.00 0.00 42.92 39.49 3i5g s ASP 328 CO -0.01 -0.58 1.75 0.44 0.52 0.00 0.00 175.17 177.28 3i5g h ASP 329 N 8.08 0.13 -0.40 -0.34 3.32 -1.96 -1.63 116.42 123.61 3i5g h ASP 329 Ca -0.14 0.05 0.08 0.00 0.02 0.00 0.00 57.03 57.04 3i5g h ASP 329 Cb 1.05 0.04 -0.09 0.00 0.22 0.00 0.00 39.33 40.54 3i5g h ASP 329 CO 0.77 0.11 -0.24 -0.33 -1.72 0.00 0.00 179.24 177.82 3i5g h GLU 330 N 0.28 -0.17 -0.73 3.56 5.08 -1.88 0.67 114.58 121.39 3i5g h GLU 330 Ca 0.18 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 3i5g h GLU 330 Cb 0.17 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 3i5g h GLU 330 CO -0.19 -0.11 0.48 1.49 -1.00 0.00 0.00 179.01 179.68 3i5g h GLU 331 N -0.17 0.95 -0.19 2.33 4.81 -1.90 -0.79 114.58 119.62 3i5g h GLU 331 Ca 0.19 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 3i5g h GLU 331 Cb 0.48 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3i5g h GLU 331 CO -0.51 0.63 0.02 0.93 -0.73 0.00 0.00 179.01 179.35 3i5g h GLU 332 N 0.98 0.33 -0.32 1.92 4.39 -0.20 0.18 114.58 121.86 3i5g h GLU 332 Ca 0.27 -0.10 0.09 0.00 0.34 0.00 0.00 59.36 59.97 3i5g h GLU 332 Cb -0.10 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 3i5g h GLU 332 CO -0.07 0.51 0.26 1.98 -1.16 0.00 0.00 179.01 180.54 3i5g h MET 333 N 0.10 0.00 0.25 2.33 4.05 0.55 0.80 114.93 123.02 3i5g h MET 333 Ca 0.06 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.46 3i5g h MET 333 Cb 0.35 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.16 3i5g h MET 333 CO 0.01 0.00 -0.12 0.78 0.23 0.00 0.00 176.91 177.80 3i5g h GLY 334 N 0.00 -0.36 0.50 1.39 0.00 0.13 -2.18 103.07 102.55 3i5g h GLY 334 Ca 0.15 0.13 0.10 0.00 0.00 0.00 0.00 47.33 47.71 3i5g h GLY 334 CO -0.00 -0.13 0.50 1.41 0.00 0.00 0.00 176.54 178.32 3i5g h LEU 335 N -0.60 0.72 -0.14 3.11 3.38 0.01 0.98 115.31 122.76 3i5g h LEU 335 Ca -0.03 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.03 3i5g h LEU 335 Cb 0.26 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.87 3i5g h LEU 335 CO 0.06 0.40 -0.20 0.74 0.09 0.00 0.00 178.44 179.53 3i5g h THR 336 N 0.83 0.50 -0.24 0.22 2.02 0.52 0.25 112.91 117.01 3i5g h THR 336 Ca 0.42 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.59 3i5g h THR 336 Cb 0.40 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3i5g h THR 336 CO -0.25 0.00 0.12 -0.78 0.37 0.00 0.00 175.52 174.97 3i5g h ASP 337 N -0.24 0.31 -0.56 4.18 1.82 -0.63 -1.49 116.42 119.79 3i5g h ASP 337 Ca 0.10 -0.12 0.06 0.00 -0.39 0.00 0.00 57.03 56.69 3i5g h ASP 337 Cb 0.40 -0.08 -0.05 0.00 0.68 0.00 0.00 39.33 40.28 3i5g h ASP 337 CO -0.29 0.33 0.27 0.74 -1.61 0.00 0.00 179.24 178.69 3i5g h THR 338 N 0.25 0.92 -0.64 2.25 2.02 -0.22 -0.82 112.91 116.67 3i5g h THR 338 Ca 0.08 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3i5g h THR 338 Cb 0.11 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 3i5g h THR 338 CO -0.01 0.09 0.33 0.00 0.37 0.00 0.00 175.52 176.30 3i5g h ALA 339 N 1.32 1.37 -0.15 6.16 0.00 -0.32 -0.40 119.26 127.24 3i5g h ALA 339 Ca 0.26 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.09 3i5g h ALA 339 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 3i5g h ALA 339 CO -0.19 0.51 0.15 0.35 0.00 0.00 0.00 179.25 180.07 3i5g h PHE 340 N 0.90 0.00 0.10 0.00 3.04 -0.08 0.26 116.94 121.18 3i5g h PHE 340 Ca 0.23 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.83 3i5g h PHE 340 Cb 0.06 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 3i5g h PHE 340 CO 0.01 0.00 -1.88 -0.44 -2.02 0.00 0.00 178.31 173.98 3i5g h ASP 341 N 0.00 0.35 -0.64 0.41 5.19 -0.72 -3.17 116.42 117.83 3i5g h ASP 341 Ca 0.07 -0.73 -0.04 0.00 -0.62 0.00 0.00 57.03 55.71 3i5g h ASP 341 Cb 0.38 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 3i5g h ASP 341 CO -0.00 1.65 0.24 0.58 -3.12 0.00 0.00 179.24 178.58 3i5g h VAL 342 N 0.06 1.24 0.00 -1.35 2.07 -0.37 0.84 116.25 118.73 3i5g h VAL 342 Ca -0.37 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.37 3i5g h VAL 342 Cb 2.04 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 3i5g h VAL 342 CO 0.10 0.31 0.00 0.18 0.02 0.00 0.00 177.57 178.18 3i5g n LEU 343 N -4.29 0.00 -2.97 2.57 4.77 -0.01 -4.89 117.00 112.18 3i5g n LEU 343 Ca 0.06 0.35 -0.01 0.00 -0.03 0.00 0.00 56.01 56.37 3i5g n LEU 343 Cb 0.19 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 3i5g n LEU 343 CO 0.40 -0.22 0.29 0.61 -1.33 0.00 0.00 177.39 177.15 3i5g n GLY 344 N -0.32 -1.22 2.71 -0.72 0.00 0.29 -4.86 105.19 101.07 3i5g n GLY 344 Ca 0.05 0.57 -0.19 0.00 0.00 0.00 0.00 46.02 46.44 3i5g n GLY 344 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5g s PHE 345 N -2.93 0.14 -0.14 1.61 2.99 -1.20 -5.04 117.98 113.42 3i5g s PHE 345 Ca 0.04 0.17 -0.14 0.00 0.00 0.00 0.00 56.93 57.00 3i5g s PHE 345 Cb -0.01 -0.47 -0.06 0.00 0.00 0.00 0.00 43.02 42.48 3i5g s PHE 345 CO 0.73 -0.19 0.46 0.25 -0.00 0.00 0.00 175.22 176.47 3i5g n THR 346 N 5.03 0.00 0.00 0.64 -2.24 -1.26 -4.53 114.28 111.92 3i5g n THR 346 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3i5g n THR 346 Cb 0.50 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3i5g n THR 346 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3i5g n ASP 347 N 1.12 0.00 0.06 3.42 8.00 -1.26 0.12 116.55 128.01 3i5g n ASP 347 Ca 0.09 0.26 -0.21 0.00 0.71 0.00 0.00 54.79 55.65 3i5g n ASP 347 Cb -0.01 -0.26 -0.15 0.00 -0.02 0.00 0.00 41.12 40.68 3i5g n ASP 347 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3i5g h GLU 348 N 0.00 0.33 -0.04 -1.24 4.57 -2.00 -2.91 114.58 113.28 3i5g h GLU 348 Ca 0.00 -0.56 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 3i5g h GLU 348 Cb 0.15 0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.94 3i5g h GLU 348 CO 0.00 1.22 -0.00 0.93 -1.18 0.00 0.00 179.01 179.98 3i5g h GLU 349 N 0.09 0.08 0.00 1.92 5.08 -0.63 -1.46 114.58 119.66 3i5g h GLU 349 Ca -0.33 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 3i5g h GLU 349 Cb 2.07 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.31 3i5g h GLU 349 CO 0.16 0.37 0.40 -0.22 -1.00 0.00 0.00 179.01 178.73 3i5g h LYS 350 N -0.23 0.00 0.00 2.33 3.64 -1.30 -0.54 116.57 120.47 3i5g h LYS 350 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i5g h LYS 350 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3i5g h LYS 350 CO 0.00 0.00 -0.36 1.25 -2.27 0.00 0.00 179.45 178.07 3i5g h LEU 351 N 0.00 0.00 -0.78 5.20 5.85 -1.07 -3.20 115.31 121.30 3i5g h LEU 351 Ca 0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 3i5g h LEU 351 Cb 0.81 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 41.69 3i5g h LEU 351 CO 0.00 0.68 -0.14 0.28 -0.34 0.00 0.00 178.44 178.92 3i5g h SER 352 N -1.00 -0.64 -0.45 1.25 0.02 -0.67 1.21 113.55 113.28 3i5g h SER 352 Ca 0.00 0.23 0.09 0.00 -0.84 0.00 0.00 61.79 61.27 3i5g h SER 352 Cb 0.36 0.46 -0.08 0.00 0.14 0.00 0.00 62.40 63.27 3i5g h SER 352 CO 0.00 -0.25 -0.09 -0.03 -1.14 0.00 0.00 176.83 175.32 3i5g h MET 353 N 0.02 0.02 -0.29 3.45 1.85 -1.36 0.82 114.93 119.43 3i5g h MET 353 Ca 0.39 -0.00 -0.09 0.00 -0.61 0.00 0.00 59.70 59.39 3i5g h MET 353 Cb 0.63 -0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.64 3i5g h MET 353 CO -0.78 0.01 -0.19 1.88 -0.40 0.00 0.00 176.91 177.43 3i5g h TYR 354 N 0.02 0.59 -0.23 1.39 0.99 0.70 -2.07 116.97 118.36 3i5g h TYR 354 Ca 0.22 -0.11 -0.18 0.00 2.00 0.00 0.00 58.73 60.65 3i5g h TYR 354 Cb 0.33 -0.15 -0.00 0.00 1.00 0.00 0.00 36.73 37.91 3i5g h TYR 354 CO -0.37 0.70 -0.59 0.87 -0.00 0.00 0.00 178.16 178.76 3i5g h LYS 355 N 0.48 0.74 -0.48 4.88 1.57 0.31 0.72 116.57 124.81 3i5g h LYS 355 Ca 0.08 -0.50 -0.09 0.00 -1.87 0.00 0.00 60.65 58.27 3i5g h LYS 355 Cb 0.60 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.96 3i5g h LYS 355 CO 0.04 1.12 -0.08 0.00 -0.57 0.00 0.00 179.45 179.96 3i5g h THR 357 N 0.77 0.90 -0.93 0.00 2.02 -1.18 -1.64 112.91 112.85 3i5g h THR 357 Ca 0.13 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.26 3i5g h THR 357 Cb 0.58 0.96 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 3i5g h THR 357 CO 0.04 0.03 0.60 1.23 0.37 0.00 0.00 175.52 177.78 3i5g h GLY 358 N -0.23 1.38 0.60 2.16 0.00 -0.09 -0.95 103.07 105.94 3i5g h GLY 358 Ca -0.02 -0.45 0.11 0.00 0.00 0.00 0.00 47.33 46.97 3i5g h GLY 358 CO 0.03 0.36 0.61 0.00 0.00 0.00 0.00 176.54 177.54 3i5g h ILE 360 N 0.95 0.57 -0.11 0.00 2.04 -0.24 -2.44 117.51 118.27 3i5g h ILE 360 Ca 0.45 -0.35 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3i5g h ILE 360 Cb 0.44 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 3i5g h ILE 360 CO -0.21 0.08 -0.01 -0.07 0.00 0.00 0.00 178.15 177.93 3i5g h LEU 361 N 0.00 0.20 -0.38 1.44 3.38 -0.52 -3.31 115.31 116.13 3i5g h LEU 361 Ca -0.00 -0.34 -0.18 0.00 0.09 0.00 0.00 57.88 57.44 3i5g h LEU 361 Cb 0.22 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3i5g h LEU 361 CO 0.01 0.50 -0.67 0.45 0.09 0.00 0.00 178.44 178.82 3i5g h HIS 362 N -0.10 0.75 -1.05 1.13 3.86 -1.39 -3.12 115.15 115.24 3i5g h HIS 362 Ca 0.03 -0.31 0.28 0.00 -1.16 0.00 0.00 60.37 59.21 3i5g h HIS 362 Cb 0.40 -0.13 -0.11 0.00 1.06 0.00 0.00 27.41 28.64 3i5g h HIS 362 CO 0.04 1.08 0.66 -0.07 0.86 0.00 0.00 177.93 180.50 3i5g h LEU 363 N 0.41 0.49 0.00 2.43 3.38 -1.53 1.17 115.31 121.67 3i5g h LEU 363 Ca -0.02 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3i5g h LEU 363 Cb 1.24 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3i5g h LEU 363 CO 0.13 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.32 3i5g n GLY 364 N -1.42 -1.16 0.09 0.83 0.00 -1.18 -3.10 105.19 99.26 3i5g n GLY 364 Ca 0.27 -0.08 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 3i5g n GLY 364 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i5g n GLU 365 N -1.44 0.66 -1.65 1.61 -0.58 0.40 -4.58 120.64 115.06 3i5g n GLU 365 Ca 0.07 0.18 -0.55 0.00 -0.42 0.00 0.00 57.16 56.43 3i5g n GLU 365 Cb 0.22 -1.68 -0.07 0.00 -0.57 0.00 0.00 31.44 29.34 3i5g n GLU 365 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 3i5g n MET 366 N -2.94 1.10 -4.04 3.49 2.81 -0.96 -4.96 117.12 111.62 3i5g n MET 366 Ca -0.24 0.40 -0.22 0.00 -1.81 0.00 0.00 57.70 55.83 3i5g n MET 366 Cb 1.09 -2.05 -0.03 0.00 -0.71 0.00 0.00 33.22 31.52 3i5g n MET 366 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3i5g s LYS 367 N 1.94 3.18 -0.06 0.03 3.01 -1.26 -5.06 119.74 121.51 3i5g s LYS 367 Ca 0.91 -0.89 -0.05 0.00 -1.01 0.00 0.00 55.97 54.94 3i5g s LYS 367 Cb -1.03 -2.73 0.02 0.00 -1.01 0.00 0.00 37.83 33.08 3i5g s LYS 367 CO 0.57 0.42 0.15 -1.58 0.51 0.00 0.00 175.35 175.42 3i5g s TRP 368 N -2.03 -0.16 0.14 3.18 0.52 -1.26 -3.77 118.94 115.56 3i5g s TRP 368 Ca 0.33 0.41 0.07 0.00 0.02 0.00 0.00 56.10 56.93 3i5g s TRP 368 Cb -0.09 0.03 -0.04 0.00 -1.15 0.00 0.00 33.47 32.23 3i5g s TRP 368 CO 0.27 -0.09 -0.16 0.21 0.02 0.00 0.00 176.95 177.20 3i5g s LYS 369 N 0.28 1.14 0.14 4.98 2.47 -0.63 -4.94 119.74 123.18 3i5g s LYS 369 Ca -0.02 -1.33 0.07 0.00 -1.56 0.00 0.00 55.97 53.13 3i5g s LYS 369 Cb -0.03 -1.08 -0.04 0.00 -1.46 0.00 0.00 37.83 35.22 3i5g s LYS 369 CO -0.01 0.21 -0.15 1.14 0.16 0.00 0.00 175.35 176.70 3i5g s GLN 370 N -2.79 1.12 -0.31 4.03 -2.07 -1.26 0.20 119.66 118.59 3i5g s GLN 370 Ca 0.12 -1.32 0.03 0.00 -1.82 0.00 0.00 55.36 52.38 3i5g s GLN 370 Cb -0.05 -1.03 0.08 0.00 -1.09 0.00 0.00 33.01 30.92 3i5g s GLN 370 CO 0.05 0.20 -0.01 1.03 -1.32 0.00 0.00 175.29 175.23 3i5g s ARG 371 N -2.81 1.75 0.00 9.60 1.81 -0.50 -4.89 118.95 123.91 3i5g s ARG 371 Ca 0.12 -1.63 0.00 0.00 -1.72 0.00 0.00 55.73 52.50 3i5g s ARG 371 Cb -0.05 -3.04 0.00 0.00 -0.45 0.00 0.00 34.95 31.42 3i5g s ARG 371 CO 0.04 -0.79 0.00 0.41 -0.68 0.00 0.00 175.30 174.28 3i5g n GLY 372 N 4.35 1.84 1.46 -3.53 0.00 -1.26 -2.35 105.19 105.70 3i5g n GLY 372 Ca -0.03 0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 3i5g n GLY 372 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3i5g n GLU 373 N 0.00 0.40 -3.74 1.61 2.13 -1.26 -5.07 120.64 114.71 3i5g n GLU 373 Ca 0.00 -0.90 -0.29 0.00 0.66 0.00 0.00 57.16 56.64 3i5g n GLU 373 Cb 0.00 0.45 -0.16 0.00 0.27 0.00 0.00 31.44 32.00 3i5g n GLU 373 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3i5g s GLN 374 N 0.04 0.72 0.65 5.31 2.00 -0.99 -4.18 119.66 123.20 3i5g s GLN 374 Ca 0.03 -0.76 -0.14 0.00 -2.00 0.00 0.00 55.36 52.49 3i5g s GLN 374 Cb 0.13 -2.02 -0.01 0.00 0.80 0.00 0.00 33.01 31.91 3i5g s GLN 374 CO -0.04 -0.82 1.07 0.00 -0.50 0.00 0.00 175.29 175.01 3i5g s ALA 375 N 1.74 2.61 0.09 1.58 0.00 -1.23 -1.41 121.76 125.14 3i5g s ALA 375 Ca 0.04 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.25 3i5g s ALA 375 Cb -0.17 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.71 3i5g s ALA 375 CO -0.17 -1.10 0.25 -1.83 0.00 0.00 0.00 175.76 172.90 3i5g s GLU 376 N -4.35 0.88 0.80 0.00 -1.05 0.53 -4.91 118.70 110.61 3i5g s GLU 376 Ca 0.63 -0.84 -0.12 0.00 -0.15 0.00 0.00 54.97 54.49 3i5g s GLU 376 Cb -0.17 0.37 0.18 0.00 -0.44 0.00 0.00 34.13 34.07 3i5g s GLU 376 CO 0.43 -0.29 0.41 0.00 0.95 0.00 0.00 175.26 176.76 3i5g n ALA 377 N 0.01 -2.51 0.00 -0.84 0.00 -1.26 -1.61 120.51 114.30 3i5g n ALA 377 Ca -0.16 -0.73 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3i5g n ALA 377 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3i5g n ALA 377 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i5g n ASP 378 N -2.81 0.00 0.00 0.00 -0.08 -1.25 -4.31 116.55 108.10 3i5g n ASP 378 Ca 0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 3i5g n ASP 378 Cb 0.29 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.75 3i5g n ASP 378 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i5g n GLY 379 N 0.00 4.26 4.39 0.27 0.00 -1.26 -4.35 105.19 108.49 3i5g n GLY 379 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3i5g n GLY 379 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i5g n THR 380 N 0.00 0.00 -0.03 2.61 -1.04 -1.26 -4.60 114.28 109.96 3i5g n THR 380 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 3i5g n THR 380 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 3i5g n THR 380 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5g h ALA 381 N 0.00 0.07 0.58 2.41 0.00 -2.00 -2.83 119.26 117.49 3i5g h ALA 381 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 3i5g h ALA 381 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i5g h ALA 381 CO 0.00 -0.10 -0.29 0.93 0.00 0.00 0.00 179.25 179.78 3i5g h GLU 382 N -0.37 -0.77 -1.15 0.00 3.07 -1.94 -1.92 114.58 111.51 3i5g h GLU 382 Ca 0.00 0.05 0.34 0.00 -0.50 0.00 0.00 59.36 59.26 3i5g h GLU 382 Cb 0.62 0.17 -0.11 0.00 -0.84 0.00 0.00 28.75 28.59 3i5g h GLU 382 CO 0.02 -0.51 0.73 0.00 -1.40 0.00 0.00 179.01 177.84 3i5g h ALA 383 N -0.38 2.40 0.00 3.43 0.00 -1.93 0.93 119.26 123.72 3i5g h ALA 383 Ca -0.08 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3i5g h ALA 383 Cb 0.62 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3i5g h ALA 383 CO 0.12 -0.92 -0.69 1.05 0.00 0.00 0.00 179.25 178.81 3i5g h GLU 384 N 0.26 0.00 -0.17 0.00 4.11 -1.24 0.29 114.58 117.83 3i5g h GLU 384 Ca 0.70 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 60.04 3i5g h GLU 384 Cb 1.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 3i5g h GLU 384 CO -0.38 0.43 -0.23 0.87 0.07 0.00 0.00 179.01 179.77 3i5g h LYS 385 N 0.00 0.45 -0.17 1.06 1.57 0.15 0.48 116.57 120.10 3i5g h LYS 385 Ca -0.04 -0.26 -0.12 0.00 -1.87 0.00 0.00 60.65 58.37 3i5g h LYS 385 Cb 1.40 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.74 3i5g h LYS 385 CO 0.06 0.85 -0.35 -0.39 -0.57 0.00 0.00 179.45 179.04 3i5g h VAL 386 N 0.09 1.34 -0.42 0.50 -1.51 -0.61 -0.53 116.25 115.11 3i5g h VAL 386 Ca 0.02 -1.59 0.08 0.00 -1.23 0.00 0.00 66.70 63.97 3i5g h VAL 386 Cb 0.79 1.93 -0.07 0.00 -2.13 0.00 0.00 31.29 31.81 3i5g h VAL 386 CO 0.05 0.49 0.00 0.00 -1.23 0.00 0.00 177.57 176.88 3i5g h ALA 387 N 0.58 0.39 0.45 5.19 0.00 -0.41 -1.42 119.26 124.04 3i5g h ALA 387 Ca 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3i5g h ALA 387 Cb 0.95 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3i5g h ALA 387 CO 0.08 -0.39 -0.22 0.35 0.00 0.00 0.00 179.25 179.07 3i5g h PHE 388 N 0.11 -0.56 -1.26 0.00 3.57 -0.84 0.26 116.94 118.22 3i5g h PHE 388 Ca 0.21 -0.01 0.36 0.00 3.53 0.00 0.00 57.97 62.06 3i5g h PHE 388 Cb 0.30 0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 3i5g h PHE 388 CO -0.27 -0.24 0.91 -0.07 -2.23 0.00 0.00 178.31 176.40 3i5g h LEU 389 N -0.94 0.00 -0.06 0.59 3.38 -0.93 1.18 115.31 118.53 3i5g h LEU 389 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3i5g h LEU 389 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3i5g h LEU 389 CO 0.10 0.00 -0.77 0.18 0.09 0.00 0.00 178.44 178.04 3i5g n LEU 390 N -4.15 0.87 -2.71 1.67 4.77 -0.55 -4.85 117.00 112.04 3i5g n LEU 390 Ca 0.27 -0.32 -0.04 0.00 -0.03 0.00 0.00 56.01 55.88 3i5g n LEU 390 Cb 1.32 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 42.33 3i5g n LEU 390 CO 0.41 0.21 0.16 0.61 -1.33 0.00 0.00 177.39 177.45 3i5g n GLY 391 N 1.49 -0.85 3.56 -0.72 0.00 0.41 -4.30 105.19 104.78 3i5g n GLY 391 Ca 0.05 0.32 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 3i5g n GLY 391 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i5g s VAL 392 N -3.12 0.02 -0.35 1.61 1.01 -0.20 -4.13 120.40 115.24 3i5g s VAL 392 Ca 0.14 -1.01 -0.20 0.00 0.00 0.00 0.00 61.98 60.91 3i5g s VAL 392 Cb -0.02 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.56 3i5g s VAL 392 CO 0.55 -0.09 0.60 0.20 0.00 0.00 0.00 175.10 176.36 3i5g s ASN 393 N -2.92 6.41 0.34 3.32 0.01 -1.26 -4.21 114.94 116.63 3i5g s ASN 393 Ca 0.13 0.15 0.15 0.00 -0.71 0.00 0.00 52.86 52.57 3i5g s ASN 393 Cb -0.01 -2.31 1.07 0.00 0.41 0.00 0.00 41.25 40.41 3i5g s ASN 393 CO 0.01 -0.54 1.68 0.00 -1.51 0.00 0.00 177.10 176.74 3i5g h ALA 394 N 8.41 1.98 -0.28 0.60 0.00 -1.88 0.29 119.26 128.38 3i5g h ALA 394 Ca -0.27 0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.87 3i5g h ALA 394 Cb 1.12 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.97 3i5g h ALA 394 CO 0.81 -0.55 -0.09 0.78 0.00 0.00 0.00 179.25 180.19 3i5g h GLY 395 N 0.37 0.16 0.56 0.00 0.00 -1.94 -0.14 103.07 102.07 3i5g h GLY 395 Ca 0.72 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 48.17 3i5g h GLY 395 CO -0.56 -0.13 -0.00 -0.55 0.00 0.00 0.00 176.54 175.31 3i5g h ASP 396 N -0.04 -0.00 -0.11 0.19 3.32 -0.92 -1.67 116.42 117.18 3i5g h ASP 396 Ca 0.14 -0.44 0.02 0.00 0.02 0.00 0.00 57.03 56.77 3i5g h ASP 396 Cb 0.25 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 3i5g h ASP 396 CO -0.31 0.43 -0.32 0.25 -1.72 0.00 0.00 179.24 177.57 3i5g h LEU 397 N -0.44 -1.04 -0.99 1.55 5.85 -0.82 0.56 115.31 119.98 3i5g h LEU 397 Ca -0.00 0.13 0.24 0.00 0.84 0.00 0.00 57.88 59.09 3i5g h LEU 397 Cb 0.44 0.41 -0.12 0.00 0.37 0.00 0.00 40.66 41.75 3i5g h LEU 397 CO 0.00 -0.28 0.56 -0.07 -0.34 0.00 0.00 178.44 178.32 3i5g h LEU 398 N -0.32 0.62 -0.14 2.25 3.38 -1.09 0.74 115.31 120.75 3i5g h LEU 398 Ca 0.02 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.14 3i5g h LEU 398 Cb 0.39 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 3i5g h LEU 398 CO -0.28 0.08 0.06 0.11 0.09 0.00 0.00 178.44 178.51 3i5g h LYS 399 N 0.55 0.14 -0.00 1.13 1.79 0.46 0.39 116.57 121.03 3i5g h LYS 399 Ca 0.63 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 59.09 3i5g h LYS 399 Cb 1.20 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 3i5g h LYS 399 CO -0.49 0.09 -0.07 0.00 -1.08 0.00 0.00 179.45 177.90 3i5g n LEU 401 N -1.23 1.89 -0.05 0.00 4.77 0.05 -3.99 117.00 118.44 3i5g n LEU 401 Ca 0.12 0.43 -0.09 0.00 -0.03 0.00 0.00 56.01 56.45 3i5g n LEU 401 Cb 0.28 -0.88 0.06 0.00 -2.33 0.00 0.00 43.42 40.55 3i5g n LEU 401 CO 0.25 0.12 0.58 -0.07 -1.33 0.00 0.00 177.39 176.94 3i5g h LEU 402 N -1.00 0.74 -5.37 2.23 3.38 -0.31 -3.42 115.31 111.57 3i5g h LEU 402 Ca -0.32 -0.33 -0.17 0.00 0.09 0.00 0.00 57.88 57.15 3i5g h LEU 402 Cb 1.17 -0.21 -0.19 0.00 0.09 0.00 0.00 40.66 41.53 3i5g h LEU 402 CO -0.19 1.05 -0.52 -1.59 0.09 0.00 0.00 178.44 177.27 3i5g s LYS 403 N -4.31 0.99 0.11 1.13 -2.85 -0.17 -4.58 119.74 110.06 3i5g s LYS 403 Ca -0.09 -0.95 -0.02 0.00 -1.00 0.00 0.00 55.97 53.91 3i5g s LYS 403 Cb 0.12 -0.13 0.03 0.00 -2.06 0.00 0.00 37.83 35.78 3i5g s LYS 403 CO 0.84 -1.30 0.12 -0.35 0.10 0.00 0.00 175.35 174.76 3i5g n PRO 404 N 3.31 -0.67 -3.71 1.78 -0.04 -1.20 -4.43 135.00 130.05 3i5g n PRO 404 Ca 0.17 -0.19 -0.11 0.00 -0.04 0.00 0.00 63.50 63.33 3i5g n PRO 404 Cb 0.55 -0.15 -0.11 0.00 -0.04 0.00 0.00 33.50 33.75 3i5g n PRO 404 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 3i5g s LYS 405 N -3.26 0.37 0.00 0.54 1.02 -1.26 -2.10 119.74 115.05 3i5g s LYS 405 Ca 0.07 0.72 0.00 0.00 0.02 0.00 0.00 55.97 56.78 3i5g s LYS 405 Cb -0.00 -0.01 0.00 0.00 -0.52 0.00 0.00 37.83 37.29 3i5g s LYS 405 CO 0.05 -0.15 0.00 -0.89 -0.92 0.00 0.00 175.35 173.44 3i5g n ILE 406 N 4.11 0.00 -2.92 2.17 5.41 -0.17 -4.84 119.36 123.12 3i5g n ILE 406 Ca -0.23 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.52 3i5g n ILE 406 Cb 0.55 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.48 3i5g n ILE 406 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 3i5g n LYS 407 N 0.00 0.00 0.00 0.38 0.00 -1.26 -4.01 118.16 113.27 3i5g n LYS 407 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3i5g n LYS 407 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3i5g n LYS 407 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 3i5g n VAL 408 N 0.00 0.00 0.94 0.58 0.31 -1.26 -4.68 118.33 114.22 3i5g n VAL 408 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.44 3i5g n VAL 408 Cb 0.00 0.00 0.10 0.00 -0.91 0.00 0.00 33.84 33.03 3i5g n VAL 408 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i5g n GLY 409 N 0.00 -1.16 1.61 2.92 0.00 -1.26 -4.89 105.19 102.41 3i5g n GLY 409 Ca 0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.45 3i5g n GLY 409 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i5g n THR 410 N -1.56 0.00 -3.90 2.61 -2.24 -1.26 -5.16 114.28 102.78 3i5g n THR 410 Ca 0.05 -1.13 -0.30 0.00 -2.27 0.00 0.00 64.05 60.40 3i5g n THR 410 Cb 0.35 0.38 -0.16 0.00 -2.10 0.00 0.00 70.33 68.80 3i5g n THR 410 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3i5g s GLU 411 N -2.76 1.42 0.54 -0.78 2.02 -1.26 -4.18 118.70 113.70 3i5g s GLU 411 Ca 0.08 -0.88 -0.03 0.00 0.02 0.00 0.00 54.97 54.16 3i5g s GLU 411 Cb 0.00 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.75 3i5g s GLU 411 CO 0.06 -0.61 0.81 0.71 0.02 0.00 0.00 175.26 176.25 3i5g s TYR 412 N 1.49 3.19 -0.57 1.61 1.51 -1.26 -4.82 117.35 118.50 3i5g s TYR 412 Ca -0.05 0.43 -0.22 0.00 -1.01 0.00 0.00 57.07 56.22 3i5g s TYR 412 Cb -0.19 -2.61 0.05 0.00 -0.11 0.00 0.00 41.96 39.11 3i5g s TYR 412 CO -0.07 -0.69 0.87 0.54 -1.11 0.00 0.00 175.55 175.10 3i5g s VAL 413 N -2.83 4.50 -1.33 0.71 0.11 -1.26 -1.00 120.40 119.30 3i5g s VAL 413 Ca 0.52 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.47 3i5g s VAL 413 Cb -0.10 -4.52 0.00 0.00 -1.53 0.00 0.00 36.38 30.23 3i5g s VAL 413 CO 0.42 -1.13 0.51 0.35 -3.33 0.00 0.00 175.10 171.91 3i5g n THR 414 N 5.97 0.00 0.02 5.04 -2.24 -0.89 -4.38 114.28 117.80 3i5g n THR 414 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3i5g n THR 414 Cb 0.46 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 3i5g n THR 414 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 3i5g n GLN 415 N -0.08 0.00 -0.09 -0.78 7.27 -1.21 -3.84 117.38 118.65 3i5g n GLN 415 Ca 0.00 0.07 0.08 0.00 0.07 0.00 0.00 57.00 57.22 3i5g n GLN 415 Cb 0.13 -2.03 0.13 0.00 2.41 0.00 0.00 30.24 30.88 3i5g n GLN 415 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i5g n GLY 416 N -1.03 -0.17 1.42 1.69 0.00 -1.26 -4.63 105.19 101.21 3i5g n GLY 416 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.95 3i5g n GLY 416 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i5g n ARG 417 N -3.15 0.00 -0.22 1.61 5.12 -1.25 -4.83 116.66 113.95 3i5g n ARG 417 Ca 0.08 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.00 3i5g n ARG 417 Cb 0.31 -0.56 0.00 0.00 -1.16 0.00 0.00 32.46 31.05 3i5g n ARG 417 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 3i5g n ASN 418 N 0.66 1.52 -0.04 0.55 0.23 -1.26 -3.48 115.26 113.44 3i5g n ASN 418 Ca 0.08 -0.11 -0.14 0.00 -0.53 0.00 0.00 54.58 53.88 3i5g n ASN 418 Cb 0.05 0.00 -0.12 0.00 -2.08 0.00 0.00 39.78 37.63 3i5g n ASN 418 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 3i5g h LYS 419 N 0.00 0.08 -0.73 -3.83 3.64 -1.90 -2.93 116.57 110.90 3i5g h LYS 419 Ca 0.00 -0.08 0.10 0.00 -1.27 0.00 0.00 60.65 59.39 3i5g h LYS 419 Cb 0.00 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 3i5g h LYS 419 CO 0.00 0.86 0.48 -0.44 -2.27 0.00 0.00 179.45 178.08 3i5g h ASP 420 N -0.67 0.57 -0.28 4.20 3.32 -1.98 -2.47 116.42 119.12 3i5g h ASP 420 Ca -0.01 0.01 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 3i5g h ASP 420 Cb 0.90 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.34 3i5g h ASP 420 CO 0.02 0.34 -0.57 1.56 -1.72 0.00 0.00 179.24 178.87 3i5g h GLN 421 N 0.63 0.88 0.05 3.56 4.20 -1.96 -3.03 115.11 119.45 3i5g h GLN 421 Ca 0.34 -0.57 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 3i5g h GLN 421 Cb 0.47 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3i5g h GLN 421 CO -0.12 1.21 -0.02 -0.39 -0.67 0.00 0.00 178.83 178.83 3i5g h VAL 422 N 0.67 1.26 -0.43 -0.54 -1.51 -1.25 0.14 116.25 114.58 3i5g h VAL 422 Ca 0.01 -1.08 0.09 0.00 -1.23 0.00 0.00 66.70 64.48 3i5g h VAL 422 Cb 1.19 1.96 -0.09 0.00 -2.13 0.00 0.00 31.29 32.22 3i5g h VAL 422 CO 0.13 0.27 -0.16 0.74 -1.23 0.00 0.00 177.57 177.32 3i5g h THR 423 N -0.56 0.48 -0.11 7.19 2.02 -1.60 0.44 112.91 120.77 3i5g h THR 423 Ca -0.01 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 3i5g h THR 423 Cb 0.49 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3i5g h THR 423 CO 0.01 0.00 0.02 -1.13 0.37 0.00 0.00 175.52 174.79 3i5g h ASN 424 N -0.06 -0.00 -0.72 4.18 -0.73 -1.52 -0.59 115.58 116.13 3i5g h ASN 424 Ca 0.21 0.02 0.15 0.00 1.87 0.00 0.00 56.30 58.55 3i5g h ASN 424 Cb 0.38 0.03 -0.05 0.00 0.27 0.00 0.00 38.32 38.95 3i5g h ASN 424 CO -0.48 0.02 0.49 -1.28 -0.37 0.00 0.00 177.43 175.80 3i5g h SER 425 N 0.06 0.34 0.01 1.15 0.87 0.96 -0.68 113.55 116.25 3i5g h SER 425 Ca 0.05 0.02 -0.19 0.00 -1.23 0.00 0.00 61.79 60.44 3i5g h SER 425 Cb 0.04 -0.05 0.02 0.00 -0.44 0.00 0.00 62.40 61.97 3i5g h SER 425 CO -0.07 0.18 -0.74 0.40 -0.53 0.00 0.00 176.83 176.07 3i5g h ILE 426 N 0.36 1.39 -0.85 2.23 2.04 0.89 -2.76 117.51 120.80 3i5g h ILE 426 Ca 0.35 -2.15 0.03 0.00 1.00 0.00 0.00 64.86 64.10 3i5g h ILE 426 Cb 0.87 2.57 -0.05 0.00 -0.74 0.00 0.00 36.82 39.47 3i5g h ILE 426 CO -0.10 0.64 0.56 0.00 0.00 0.00 0.00 178.15 179.25 3i5g h ALA 427 N 0.33 1.46 -0.68 1.87 0.00 -0.28 -0.14 119.26 121.83 3i5g h ALA 427 Ca -0.09 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.79 3i5g h ALA 427 Cb 1.44 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3i5g h ALA 427 CO 0.14 0.46 0.43 0.00 0.00 0.00 0.00 179.25 180.29 3i5g h ALA 428 N 1.50 0.87 0.17 0.00 0.00 -1.12 -1.11 119.26 119.57 3i5g h ALA 428 Ca 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3i5g h ALA 428 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3i5g h ALA 428 CO -0.10 0.23 -0.15 1.25 0.00 0.00 0.00 179.25 180.49 3i5g h LEU 429 N 0.87 -0.38 -0.40 0.00 5.85 -0.77 0.22 115.31 120.70 3i5g h LEU 429 Ca 0.26 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.06 3i5g h LEU 429 Cb -0.04 0.13 -0.08 0.00 0.37 0.00 0.00 40.66 41.04 3i5g h LEU 429 CO -0.08 -0.23 -0.53 0.00 -0.34 0.00 0.00 178.44 177.26 3i5g h ALA 430 N 0.46 -0.76 -0.92 1.25 0.00 -0.82 0.30 119.26 118.76 3i5g h ALA 430 Ca -0.00 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.04 3i5g h ALA 430 Cb 0.31 1.11 -0.09 0.00 0.00 0.00 0.00 17.79 19.12 3i5g h ALA 430 CO -0.02 -1.01 0.54 0.87 0.00 0.00 0.00 179.25 179.62 3i5g h LYS 431 N -0.37 0.77 -0.37 0.00 1.57 -0.80 -0.52 116.57 116.85 3i5g h LYS 431 Ca 0.07 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 3i5g h LYS 431 Cb 0.56 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3i5g h LYS 431 CO -0.57 0.51 -0.18 1.03 -0.57 0.00 0.00 179.45 179.67 3i5g h SER 432 N 0.79 0.68 0.56 0.86 0.87 0.10 -0.98 113.55 116.45 3i5g h SER 432 Ca 0.48 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 3i5g h SER 432 Cb 0.60 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3i5g h SER 432 CO -0.32 0.86 -0.27 0.25 -0.53 0.00 0.00 176.83 176.83 3i5g h LEU 433 N 0.61 -0.64 -0.52 2.23 5.85 0.90 -2.38 115.31 121.36 3i5g h LEU 433 Ca 0.10 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.88 3i5g h LEU 433 Cb 0.64 0.17 -0.10 0.00 0.37 0.00 0.00 40.66 41.74 3i5g h LEU 433 CO 0.05 -0.31 -0.12 0.22 -0.34 0.00 0.00 178.44 177.94 3i5g h TYR 434 N -1.00 -0.26 -0.62 1.25 3.20 -1.07 0.45 116.97 118.93 3i5g h TYR 434 Ca -0.08 0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.92 3i5g h TYR 434 Cb 0.65 0.20 -0.06 0.00 1.54 0.00 0.00 36.73 39.05 3i5g h TYR 434 CO 0.00 -0.22 0.28 0.22 -1.64 0.00 0.00 178.16 176.81 3i5g h ASP 435 N 0.00 0.36 -0.05 -2.11 3.58 -1.14 0.47 116.42 117.53 3i5g h ASP 435 Ca 0.25 0.06 -0.17 0.00 0.42 0.00 0.00 57.03 57.59 3i5g h ASP 435 Cb 0.38 -0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.42 3i5g h ASP 435 CO -0.53 0.22 -0.56 0.03 -2.88 0.00 0.00 179.24 175.53 3i5g h ARG 436 N 0.51 0.64 -0.85 0.28 3.08 -0.83 -2.27 114.38 114.94 3i5g h ARG 436 Ca 0.30 -0.41 0.03 0.00 0.07 0.00 0.00 59.98 59.96 3i5g h ARG 436 Cb 0.29 0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.34 3i5g h ARG 436 CO -0.24 1.02 0.55 0.52 -1.07 0.00 0.00 179.97 180.75 3i5g h MET 437 N 0.49 1.06 -0.45 0.04 2.86 -0.00 -1.12 114.93 117.80 3i5g h MET 437 Ca 0.01 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.46 3i5g h MET 437 Cb 1.12 -0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3i5g h MET 437 CO 0.11 0.70 -0.22 0.35 1.06 0.00 0.00 176.91 178.91 3i5g h PHE 438 N 1.09 1.08 0.19 -0.22 3.57 -0.78 -0.05 116.94 121.81 3i5g h PHE 438 Ca 0.33 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3i5g h PHE 438 Cb -0.04 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 38.46 3i5g h PHE 438 CO -0.02 1.08 -0.09 -0.91 -2.23 0.00 0.00 178.31 176.13 3i5g h ASN 439 N 0.77 -0.22 -0.24 0.41 2.35 -1.05 -1.93 115.58 115.68 3i5g h ASN 439 Ca 0.10 -0.10 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3i5g h ASN 439 Cb 0.79 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 39.15 3i5g h ASN 439 CO 0.07 -0.04 -0.20 -0.25 -1.65 0.00 0.00 177.43 175.36 3i5g h TRP 440 N -0.39 -0.53 -1.07 1.19 7.01 -1.19 0.31 115.95 121.29 3i5g h TRP 440 Ca -0.03 0.03 0.30 0.00 2.11 0.00 0.00 58.89 61.31 3i5g h TRP 440 Cb 0.30 0.27 -0.06 0.00 -2.10 0.00 0.00 29.16 27.57 3i5g h TRP 440 CO -0.02 -0.28 0.74 1.25 -2.79 0.00 0.00 178.44 177.34 3i5g h LEU 441 N -0.20 0.16 0.12 0.65 5.85 -0.72 0.13 115.31 121.30 3i5g h LEU 441 Ca 0.14 0.03 -0.29 0.00 0.84 0.00 0.00 57.88 58.60 3i5g h LEU 441 Cb 0.41 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 3i5g h LEU 441 CO -0.36 0.03 -1.39 0.58 -0.34 0.00 0.00 178.44 176.96 3i5g h VAL 442 N 0.14 1.32 -0.15 1.05 2.07 -0.20 -3.24 116.25 117.24 3i5g h VAL 442 Ca 0.54 -2.94 0.04 0.00 0.82 0.00 0.00 66.70 65.17 3i5g h VAL 442 Cb 1.87 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 34.47 3i5g h VAL 442 CO -0.11 0.85 0.11 0.03 0.02 0.00 0.00 177.57 178.47 3i5g h ARG 443 N 0.07 0.00 0.15 1.57 3.08 0.71 -2.31 114.38 117.65 3i5g h ARG 443 Ca -0.19 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 3i5g h ARG 443 Cb 1.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.04 3i5g h ARG 443 CO 0.18 0.00 -0.07 0.00 -1.07 0.00 0.00 179.97 179.00 3i5g h ARG 444 N 0.00 -0.20 -0.70 0.04 2.47 -1.45 -1.96 114.38 112.58 3i5g h ARG 444 Ca 0.07 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 58.89 3i5g h ARG 444 Cb 0.29 0.05 -0.05 0.00 -1.65 0.00 0.00 29.97 28.61 3i5g h ARG 444 CO -0.00 0.23 0.46 -0.39 0.56 0.00 0.00 179.97 180.83 3i5g h VAL 445 N -0.76 0.95 -0.20 2.04 -1.51 -1.54 0.37 116.25 115.59 3i5g h VAL 445 Ca -0.02 -0.21 -0.05 0.00 -1.23 0.00 0.00 66.70 65.19 3i5g h VAL 445 Cb 0.53 0.28 -0.01 0.00 -2.13 0.00 0.00 31.29 29.95 3i5g h VAL 445 CO 0.03 0.11 -0.09 0.78 -1.23 0.00 0.00 177.57 177.18 3i5g h ASN 446 N 0.62 0.29 -0.15 4.19 2.35 -1.37 0.20 115.58 121.70 3i5g h ASN 446 Ca 0.32 -0.06 -0.20 0.00 -0.55 0.00 0.00 56.30 55.81 3i5g h ASN 446 Cb 0.43 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3i5g h ASN 446 CO -0.11 0.42 -0.66 1.56 -1.65 0.00 0.00 177.43 176.99 3i5g h GLN 447 N 0.30 0.77 0.00 0.81 4.20 0.36 -0.79 115.11 120.77 3i5g h GLN 447 Ca 0.06 -0.56 0.00 0.00 0.06 0.00 0.00 58.65 58.21 3i5g h GLN 447 Cb 0.35 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3i5g h GLN 447 CO 0.02 1.18 0.00 1.15 -0.67 0.00 0.00 178.83 180.51 3i5g h THR 448 N 0.56 0.00 0.00 -0.54 2.02 0.10 -3.17 112.91 111.89 3i5g h THR 448 Ca -0.02 -0.23 -0.33 0.00 0.77 0.00 0.00 66.41 66.61 3i5g h THR 448 Cb 1.27 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 68.79 3i5g h THR 448 CO 0.14 0.00 -2.27 0.18 0.37 0.00 0.00 175.52 173.94 3i5g n LEU 449 N -2.96 0.00 -4.68 2.58 4.77 0.52 -4.97 117.00 112.26 3i5g n LEU 449 Ca -0.01 0.00 -0.50 0.00 -0.03 0.00 0.00 56.01 55.47 3i5g n LEU 449 Cb 0.18 0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 3i5g n LEU 449 CO 0.22 0.44 1.41 -0.67 -1.33 0.00 0.00 177.39 177.46 3i5g n ASP 450 N -2.67 3.17 -4.87 -1.43 -0.08 -0.33 -4.48 116.55 105.85 3i5g n ASP 450 Ca -0.29 1.01 -0.21 0.00 -1.51 0.00 0.00 54.79 53.79 3i5g n ASP 450 Cb 1.09 -1.33 -0.03 0.00 2.34 0.00 0.00 41.12 43.18 3i5g n ASP 450 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3i5g s THR 451 N 3.45 3.31 0.10 5.18 2.01 -1.26 -5.03 115.64 123.41 3i5g s THR 451 Ca 0.92 -1.33 -0.20 0.00 0.31 0.00 0.00 61.69 61.39 3i5g s THR 451 Cb -0.76 -3.14 -0.08 0.00 0.01 0.00 0.00 72.50 68.53 3i5g s THR 451 CO 0.52 -0.12 1.69 0.11 -0.69 0.00 0.00 174.62 176.13 3i5g h LYS 452 N 1.15 0.29 -3.99 4.92 1.57 -1.93 -3.46 116.57 115.11 3i5g h LYS 452 Ca -0.44 -0.04 -0.38 0.00 -1.87 0.00 0.00 60.65 57.93 3i5g h LYS 452 Cb 1.26 -0.05 0.14 0.00 0.08 0.00 0.00 32.23 33.66 3i5g h LYS 452 CO 0.57 0.29 -1.06 0.00 -0.57 0.00 0.00 179.45 178.68 3i5g n ALA 453 N -2.20 -3.75 -2.73 3.86 0.00 -1.26 -4.97 120.51 109.46 3i5g n ALA 453 Ca -0.04 -0.29 -0.35 0.00 0.00 0.00 0.00 53.44 52.76 3i5g n ALA 453 Cb 0.08 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 3i5g n ALA 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3i5g s LYS 454 N -1.07 3.61 -0.03 0.00 2.20 -1.26 -4.94 119.74 118.25 3i5g s LYS 454 Ca 0.31 -0.02 -0.01 0.00 -0.36 0.00 0.00 55.97 55.88 3i5g s LYS 454 Cb -0.20 -3.08 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 3i5g s LYS 454 CO 0.51 0.64 0.08 1.03 -0.36 0.00 0.00 175.35 177.25 3i5g s ARG 455 N -1.73 3.11 0.00 4.03 0.52 -1.26 -4.37 118.95 119.25 3i5g s ARG 455 Ca 0.28 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 55.06 3i5g s ARG 455 Cb -0.13 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.44 3i5g s ARG 455 CO 0.16 0.67 0.00 0.94 0.02 0.00 0.00 175.30 177.09 3i5g n GLN 456 N 1.39 0.00 -4.19 3.54 -0.06 0.24 -4.95 117.38 113.34 3i5g n GLN 456 Ca -0.14 0.00 -0.20 0.00 -2.00 0.00 0.00 57.00 54.65 3i5g n GLN 456 Cb 0.53 -0.57 -0.07 0.00 -4.06 0.00 0.00 30.24 26.07 3i5g n GLN 456 CO 0.00 0.00 0.00 1.19 -0.20 0.00 0.00 177.06 178.05 3i5g n PHE 457 N -2.58 -0.49 -3.46 3.69 3.72 -0.86 -4.98 117.46 112.51 3i5g n PHE 457 Ca 0.00 -2.64 -0.14 0.00 -0.05 0.00 0.00 57.45 54.63 3i5g n PHE 457 Cb 0.36 0.19 -0.03 0.00 -0.94 0.00 0.00 39.48 39.05 3i5g n PHE 457 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 3i5g s PHE 458 N -3.22 -0.57 -0.25 1.38 -0.12 -1.26 -0.90 117.98 113.05 3i5g s PHE 458 Ca 0.33 0.58 0.01 0.00 -0.05 0.00 0.00 56.93 57.79 3i5g s PHE 458 Cb 0.02 0.51 0.07 0.00 -0.63 0.00 0.00 43.02 42.98 3i5g s PHE 458 CO 0.23 -0.75 -0.03 0.42 -0.05 0.00 0.00 175.22 175.04 3i5g s ILE 459 N -2.88 1.47 0.27 -4.49 1.01 -0.62 -0.38 121.20 115.58 3i5g s ILE 459 Ca -0.03 -1.28 -0.02 0.00 0.00 0.00 0.00 60.65 59.32 3i5g s ILE 459 Cb -0.01 -1.80 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 3i5g s ILE 459 CO -0.05 -0.20 0.49 -0.83 0.00 0.00 0.00 174.94 174.35 3i5g s GLY 460 N 1.41 1.71 -0.12 6.18 0.00 -0.12 -2.25 107.32 114.12 3i5g s GLY 460 Ca -0.03 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.98 3i5g s GLY 460 CO -0.08 -0.67 -0.21 0.14 0.00 0.00 0.00 173.10 172.28 3i5g s VAL 461 N -2.06 1.92 -0.03 1.40 1.01 -0.46 0.58 120.40 122.77 3i5g s VAL 461 Ca 0.41 -0.91 0.00 0.00 0.00 0.00 0.00 61.98 61.48 3i5g s VAL 461 Cb -0.11 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3i5g s VAL 461 CO 0.31 0.53 0.01 -0.22 0.00 0.00 0.00 175.10 175.72 3i5g s LEU 462 N 0.73 3.57 -0.04 3.92 2.96 0.94 -0.85 118.68 129.91 3i5g s LEU 462 Ca -0.10 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.86 3i5g s LEU 462 Cb -0.16 -1.98 0.03 0.00 0.50 0.00 0.00 46.19 44.57 3i5g s LEU 462 CO 0.01 0.31 0.01 -0.62 -1.32 0.00 0.00 176.35 174.74 3i5g s ASP 463 N -1.37 0.93 0.15 3.68 -1.08 -0.96 -1.95 116.67 116.07 3i5g s ASP 463 Ca 0.18 -0.02 -0.09 0.00 -0.52 0.00 0.00 52.55 52.10 3i5g s ASP 463 Cb -0.11 -0.28 -0.01 0.00 -1.46 0.00 0.00 42.92 41.06 3i5g s ASP 463 CO 0.08 -0.16 0.26 -0.51 0.52 0.00 0.00 175.17 175.36 3i5g s ILE 464 N 1.53 0.08 0.11 4.11 2.07 -1.26 -1.68 121.20 126.16 3i5g s ILE 464 Ca -0.03 -1.35 -0.31 0.00 -1.41 0.00 0.00 60.65 57.55 3i5g s ILE 464 Cb -0.13 -1.74 -0.08 0.00 0.13 0.00 0.00 42.46 40.64 3i5g s ILE 464 CO -0.03 -0.37 1.46 0.00 -1.91 0.00 0.00 174.94 174.08 3i5g s ALA 465 N -3.95 3.64 0.95 1.50 0.00 -1.26 -4.91 121.76 117.74 3i5g s ALA 465 Ca 0.15 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 53.13 3i5g s ALA 465 Cb 0.04 -3.58 0.17 0.00 0.00 0.00 0.00 23.12 19.75 3i5g s ALA 465 CO -0.02 -0.72 1.18 0.20 0.00 0.00 0.00 175.76 176.40 3i5g s GLY 466 N 1.29 1.62 0.17 0.00 0.00 -1.26 -4.84 107.32 104.30 3i5g s GLY 466 Ca 0.67 -0.75 -0.33 0.00 0.00 0.00 0.00 44.72 44.30 3i5g s GLY 466 CO 0.30 -0.10 1.54 0.33 0.00 0.00 0.00 173.10 175.17 3i5g n PHE 467 N -3.86 2.24 -4.73 1.90 7.35 -1.26 -4.91 117.46 114.19 3i5g n PHE 467 Ca 0.10 0.31 -0.32 0.00 -0.76 0.00 0.00 57.45 56.77 3i5g n PHE 467 Cb 0.60 -2.52 -0.12 0.00 0.35 0.00 0.00 39.48 37.78 3i5g n PHE 467 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 3i5g s GLU 468 N 0.66 2.48 -0.25 -4.13 2.02 -1.26 -4.98 118.70 113.24 3i5g s GLU 468 Ca 0.77 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 55.02 3i5g s GLU 468 Cb -0.68 -2.41 0.12 0.00 0.10 0.00 0.00 34.13 31.26 3i5g s GLU 468 CO 0.40 0.61 0.28 0.42 0.02 0.00 0.00 175.26 177.00 3i5g s ILE 469 N -0.83 -0.41 0.47 -1.63 1.01 -1.26 -4.90 121.20 113.65 3i5g s ILE 469 Ca 0.13 -0.27 0.04 0.00 0.00 0.00 0.00 60.65 60.55 3i5g s ILE 469 Cb -0.11 -0.84 0.04 0.00 0.01 0.00 0.00 42.46 41.57 3i5g s ILE 469 CO 0.03 -0.31 0.36 0.49 0.00 0.00 0.00 174.94 175.51 3i5g n PHE 470 N 5.32 -0.75 0.24 3.97 0.99 -1.26 -4.98 117.46 121.00 3i5g n PHE 470 Ca -0.04 -1.98 0.14 0.00 -0.00 0.00 0.00 57.45 55.57 3i5g n PHE 470 Cb 0.48 -0.38 0.44 0.00 -1.00 0.00 0.00 39.48 39.01 3i5g n PHE 470 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.76 176.32 3i5g h ASP 471 N 0.55 0.00 -2.97 4.37 3.32 -2.01 -3.39 116.42 116.29 3i5g h ASP 471 Ca -0.30 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.19 3i5g h ASP 471 Cb 1.08 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 40.24 3i5g h ASP 471 CO 0.46 0.06 -0.77 0.12 -1.72 0.00 0.00 179.24 177.39 3i5g s PHE 472 N -3.47 1.06 -0.20 4.55 5.36 -1.26 -4.93 117.98 119.10 3i5g s PHE 472 Ca 0.03 -1.42 -0.11 0.00 -0.96 0.00 0.00 56.93 54.47 3i5g s PHE 472 Cb 0.08 -1.31 -0.05 0.00 -0.34 0.00 0.00 43.02 41.40 3i5g s PHE 472 CO 0.61 -0.85 0.19 -0.80 -1.46 0.00 0.00 175.22 172.91 3i5g s ASN 473 N 1.67 6.26 0.00 6.13 0.01 -1.26 -5.02 114.94 122.73 3i5g s ASN 473 Ca 0.11 0.29 0.00 0.00 -0.71 0.00 0.00 52.86 52.55 3i5g s ASN 473 Cb -0.18 -2.12 0.00 0.00 0.41 0.00 0.00 41.25 39.36 3i5g s ASN 473 CO -0.26 0.13 0.00 -0.24 -1.51 0.00 0.00 177.10 175.22 3i5g n SER 474 N 3.71 1.95 0.29 -1.22 2.88 -1.26 -1.38 113.62 118.59 3i5g n SER 474 Ca -0.14 -0.20 0.16 0.00 -1.33 0.00 0.00 58.87 57.36 3i5g n SER 474 Cb 0.52 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.81 3i5g n SER 474 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 3i5g h PHE 475 N 0.20 0.00 0.09 0.66 3.57 -1.91 -1.23 116.94 118.32 3i5g h PHE 475 Ca 0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 3i5g h PHE 475 Cb 0.00 0.00 0.02 0.00 2.79 0.00 0.00 35.95 38.76 3i5g h PHE 475 CO 0.00 0.00 -0.73 0.93 -2.23 0.00 0.00 178.31 176.28 3i5g h GLU 476 N 0.00 0.33 -0.44 1.11 3.07 -1.98 -3.10 114.58 113.57 3i5g h GLU 476 Ca 0.03 -0.48 -0.00 0.00 -0.50 0.00 0.00 59.36 58.41 3i5g h GLU 476 Cb 0.69 0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 3i5g h GLU 476 CO -0.00 1.19 0.26 1.96 -1.40 0.00 0.00 179.01 181.02 3i5g h GLN 477 N -0.29 0.60 -0.64 2.33 7.50 -1.61 -2.27 115.11 120.73 3i5g h GLN 477 Ca -0.12 -0.06 0.06 0.00 0.50 0.00 0.00 58.65 59.04 3i5g h GLN 477 Cb 1.52 -0.12 -0.05 0.00 0.05 0.00 0.00 27.48 28.87 3i5g h GLN 477 CO 0.14 0.44 0.34 1.25 -1.50 0.00 0.00 178.83 179.51 3i5g h LEU 478 N 0.58 0.50 -0.57 1.46 5.85 -1.51 0.22 115.31 121.84 3i5g h LEU 478 Ca 0.16 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3i5g h LEU 478 Cb 0.00 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 3i5g h LEU 478 CO -0.03 0.33 0.31 0.00 -0.34 0.00 0.00 178.44 178.71 3i5g h ILE 480 N 0.77 1.27 -0.29 0.00 2.04 -0.81 -1.67 117.51 118.82 3i5g h ILE 480 Ca 0.20 -1.38 -0.09 0.00 1.00 0.00 0.00 64.86 64.58 3i5g h ILE 480 Cb 0.04 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3i5g h ILE 480 CO -0.03 0.47 -0.21 0.78 0.00 0.00 0.00 178.15 179.16 3i5g h ASN 481 N 0.80 0.54 -0.88 1.72 2.35 -0.39 -0.78 115.58 118.94 3i5g h ASN 481 Ca 0.10 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.66 3i5g h ASN 481 Cb 0.80 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.98 3i5g h ASN 481 CO 0.07 0.75 0.47 0.22 -1.65 0.00 0.00 177.43 177.29 3i5g h TYR 482 N 0.49 1.22 -0.03 1.19 3.20 -0.68 0.17 116.97 122.53 3i5g h TYR 482 Ca 0.08 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3i5g h TYR 482 Cb 0.63 -0.39 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 3i5g h TYR 482 CO 0.02 0.85 -0.00 1.15 -1.64 0.00 0.00 178.16 178.54 3i5g h THR 483 N 1.23 1.27 -0.84 1.81 2.02 -0.70 -2.58 112.91 115.12 3i5g h THR 483 Ca 0.31 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 3i5g h THR 483 Cb 0.05 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 3i5g h THR 483 CO -0.05 0.22 0.40 0.78 0.37 0.00 0.00 175.52 177.24 3i5g h ASN 484 N -0.27 1.11 -0.72 4.18 2.35 -0.86 -2.23 115.58 119.14 3i5g h ASN 484 Ca 0.01 -0.14 0.12 0.00 -0.55 0.00 0.00 56.30 55.74 3i5g h ASN 484 Cb 0.36 -0.29 -0.08 0.00 0.05 0.00 0.00 38.32 38.36 3i5g h ASN 484 CO 0.00 0.94 0.30 -0.08 -1.65 0.00 0.00 177.43 176.95 3i5g h GLU 485 N 1.20 0.47 0.00 0.81 4.57 -0.55 0.69 114.58 121.77 3i5g h GLU 485 Ca 0.29 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.44 3i5g h GLU 485 Cb 0.13 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 3i5g h GLU 485 CO -0.03 0.31 0.00 0.00 -1.18 0.00 0.00 179.01 178.11 3i5g h ARG 486 N 0.48 0.00 0.14 1.92 3.08 -1.01 -1.59 114.38 117.40 3i5g h ARG 486 Ca 0.38 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 60.11 3i5g h ARG 486 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3i5g h ARG 486 CO -0.35 0.00 -1.56 -0.07 -1.07 0.00 0.00 179.97 176.92 3i5g h LEU 487 N 0.00 0.47 -0.54 3.04 3.38 0.15 -2.11 115.31 119.69 3i5g h LEU 487 Ca 0.00 -0.64 -0.13 0.00 0.09 0.00 0.00 57.88 57.20 3i5g h LEU 487 Cb 0.58 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 3i5g h LEU 487 CO 0.00 1.53 -0.21 -0.61 0.09 0.00 0.00 178.44 179.24 3i5g h GLN 488 N 0.08 0.95 -0.45 1.13 5.75 0.36 -2.20 115.11 120.73 3i5g h GLN 488 Ca -0.26 -0.40 -0.00 0.00 -0.15 0.00 0.00 58.65 57.84 3i5g h GLN 488 Cb 2.04 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.53 3i5g h GLN 488 CO 0.18 1.06 0.28 0.37 -2.65 0.00 0.00 178.83 178.07 3i5g h GLN 489 N 0.83 0.61 -0.66 1.69 4.15 -1.34 0.18 115.11 120.56 3i5g h GLN 489 Ca 0.11 -0.05 0.14 0.00 0.77 0.00 0.00 58.65 59.62 3i5g h GLN 489 Cb 0.77 -0.13 -0.10 0.00 0.21 0.00 0.00 27.48 28.23 3i5g h GLN 489 CO 0.06 0.43 0.11 0.35 -1.93 0.00 0.00 178.83 177.86 3i5g h PHE 490 N 0.60 0.16 0.24 3.99 3.57 -0.99 0.58 116.94 125.10 3i5g h PHE 490 Ca 0.16 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3i5g h PHE 490 Cb -0.03 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.75 3i5g h PHE 490 CO -0.04 -0.09 -0.12 0.35 -2.23 0.00 0.00 178.31 176.19 3i5g h PHE 491 N 0.22 -0.30 -0.80 0.41 3.57 -0.66 -1.60 116.94 117.79 3i5g h PHE 491 Ca 0.36 -0.01 0.19 0.00 3.53 0.00 0.00 57.97 62.04 3i5g h PHE 491 Cb 0.59 0.10 -0.12 0.00 2.79 0.00 0.00 35.95 39.30 3i5g h PHE 491 CO -0.29 -0.05 0.19 -0.91 -2.23 0.00 0.00 178.31 175.02 3i5g h ASN 492 N -0.51 -0.01 -0.26 0.41 4.21 0.14 0.42 115.58 119.97 3i5g h ASN 492 Ca -0.03 0.17 -0.02 0.00 1.21 0.00 0.00 56.30 57.63 3i5g h ASN 492 Cb 0.38 0.23 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 3i5g h ASN 492 CO 0.05 -0.09 0.09 -0.74 -1.29 0.00 0.00 177.43 175.46 3i5g h HIS 493 N 0.24 0.42 -0.66 1.19 2.76 -0.67 -0.66 115.15 117.77 3i5g h HIS 493 Ca 0.47 -0.04 0.06 0.00 -2.20 0.00 0.00 60.37 58.66 3i5g h HIS 493 Cb 0.87 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.65 3i5g h HIS 493 CO -0.27 0.45 0.37 1.25 -1.30 0.00 0.00 177.93 178.43 3i5g h HIS 494 N 0.27 0.68 -0.56 5.26 -0.00 -0.12 -1.31 115.15 119.37 3i5g h HIS 494 Ca 0.09 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.48 3i5g h HIS 494 Cb 0.22 -0.21 -0.03 0.00 -0.00 0.00 0.00 27.41 27.40 3i5g h HIS 494 CO 0.00 0.33 0.34 1.98 -0.00 0.00 0.00 177.93 180.58 3i5g h MET 495 N 0.69 0.76 -0.13 5.26 -1.53 -0.68 -2.54 114.93 116.76 3i5g h MET 495 Ca 0.29 -0.07 0.04 0.00 -3.44 0.00 0.00 59.70 56.52 3i5g h MET 495 Cb 0.17 -0.16 -0.04 0.00 -0.55 0.00 0.00 31.60 31.02 3i5g h MET 495 CO -0.17 0.55 -0.12 0.35 0.14 0.00 0.00 176.91 177.66 3i5g h PHE 496 N 0.76 -0.29 0.00 1.39 3.57 -0.27 -0.95 116.94 121.16 3i5g h PHE 496 Ca 0.20 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 3i5g h PHE 496 Cb -0.02 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3i5g h PHE 496 CO -0.02 -0.18 -0.05 0.28 -2.23 0.00 0.00 178.31 176.11 3i5g h VAL 497 N -0.14 0.85 0.12 1.41 2.07 -1.03 -1.65 116.25 117.88 3i5g h VAL 497 Ca 0.09 -0.19 -0.31 0.00 0.82 0.00 0.00 66.70 67.10 3i5g h VAL 497 Cb 0.26 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 3i5g h VAL 497 CO -0.21 0.05 -1.59 -0.07 0.02 0.00 0.00 177.57 175.77 3i5g h LEU 498 N 0.00 0.38 -0.85 2.57 3.38 -0.98 -2.94 115.31 116.86 3i5g h LEU 498 Ca -0.00 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.30 3i5g h LEU 498 Cb 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3i5g h LEU 498 CO 0.01 1.47 -0.49 -0.33 0.09 0.00 0.00 178.44 179.19 3i5g h GLU 499 N 0.07 0.00 -0.24 1.13 4.39 -1.04 0.51 114.58 119.40 3i5g h GLU 499 Ca -0.27 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.36 3i5g h GLU 499 Cb 2.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.67 3i5g h GLU 499 CO 0.15 0.49 -0.14 0.37 -1.16 0.00 0.00 179.01 178.72 3i5g h GLN 500 N 0.00 0.51 -0.19 2.33 4.15 -1.38 -1.00 115.11 119.53 3i5g h GLN 500 Ca -0.00 -0.23 -0.08 0.00 0.77 0.00 0.00 58.65 59.11 3i5g h GLN 500 Cb 0.99 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.66 3i5g h GLN 500 CO 0.06 0.79 -0.22 1.49 -1.93 0.00 0.00 178.83 179.02 3i5g h GLU 501 N 0.22 0.33 0.13 1.69 4.81 -1.30 -2.41 114.58 118.05 3i5g h GLU 501 Ca 0.05 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3i5g h GLU 501 Cb 0.65 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3i5g h GLU 501 CO 0.04 0.54 -0.06 1.49 -0.73 0.00 0.00 179.01 180.29 3i5g h GLU 502 N 0.30 -0.17 -0.15 1.92 4.57 -0.67 -1.92 114.58 118.46 3i5g h GLU 502 Ca 0.05 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3i5g h GLU 502 Cb 0.57 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 3i5g h GLU 502 CO 0.04 0.24 0.11 1.88 -1.18 0.00 0.00 179.01 180.09 3i5g h TYR 503 N -0.65 0.10 0.00 0.92 -1.99 -1.15 -0.99 116.97 113.21 3i5g h TYR 503 Ca -0.02 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.63 3i5g h TYR 503 Cb 0.49 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.18 3i5g h TYR 503 CO 0.07 0.06 -0.40 -0.22 -0.00 0.00 0.00 178.16 177.67 3i5g h LYS 504 N 0.10 0.00 0.00 4.88 3.64 -1.39 0.88 116.57 124.68 3i5g h LYS 504 Ca 0.07 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 3i5g h LYS 504 Cb 0.13 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3i5g h LYS 504 CO -0.01 0.40 -0.32 -0.22 -2.27 0.00 0.00 179.45 177.03 3i5g h LYS 505 N 0.00 0.00 -0.23 1.90 3.64 -0.35 -2.97 116.57 118.56 3i5g h LYS 505 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i5g h LYS 505 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3i5g h LYS 505 CO 0.05 0.32 0.00 0.39 -2.27 0.00 0.00 179.45 177.94 3i5g n GLU 506 N -3.39 2.06 -2.73 1.90 -0.58 -1.08 -4.83 120.64 111.98 3i5g n GLU 506 Ca 0.00 -1.75 -0.16 0.00 -0.42 0.00 0.00 57.16 54.84 3i5g n GLU 506 Cb 0.52 -1.25 0.02 0.00 -0.57 0.00 0.00 31.44 30.16 3i5g n GLU 506 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3i5g n GLY 507 N 0.57 -0.18 3.92 0.62 0.00 -0.86 -2.67 105.19 106.59 3i5g n GLY 507 Ca 0.10 -0.15 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 3i5g n GLY 507 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i5g s ILE 508 N -2.96 5.38 -0.44 -0.61 1.01 0.30 -4.99 121.20 118.88 3i5g s ILE 508 Ca 0.19 -0.39 -0.28 0.00 0.00 0.00 0.00 60.65 60.17 3i5g s ILE 508 Cb -0.08 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.76 3i5g s ILE 508 CO 0.23 0.13 1.49 -0.69 0.00 0.00 0.00 174.94 176.09 3i5g s VAL 509 N -1.53 3.79 -0.31 2.92 1.01 -1.26 -4.39 120.40 120.64 3i5g s VAL 509 Ca 0.35 0.77 -0.23 0.00 0.00 0.00 0.00 61.98 62.87 3i5g s VAL 509 Cb -0.13 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.08 3i5g s VAL 509 CO 0.28 -0.81 0.77 0.86 0.00 0.00 0.00 175.10 176.20 3i5g s TRP 510 N 5.95 3.20 -0.56 5.22 -0.11 -1.26 -4.97 118.94 126.41 3i5g s TRP 510 Ca 0.62 0.78 0.06 0.00 1.22 0.00 0.00 56.10 58.78 3i5g s TRP 510 Cb -0.14 -3.20 0.31 0.00 -1.50 0.00 0.00 33.47 28.94 3i5g s TRP 510 CO 0.31 -0.56 0.84 -0.85 -4.62 0.00 0.00 176.95 172.07 3i5g n GLU 511 N 6.18 2.61 -3.86 5.86 0.28 -1.26 -5.07 120.64 125.38 3i5g n GLU 511 Ca 0.03 -4.52 -0.11 0.00 -0.16 0.00 0.00 57.16 52.39 3i5g n GLU 511 Cb 0.48 -2.11 -0.10 0.00 1.43 0.00 0.00 31.44 31.14 3i5g n GLU 511 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3i5g s PHE 512 N -2.95 -0.00 0.16 -1.84 0.40 -1.26 -5.14 117.98 107.36 3i5g s PHE 512 Ca 0.45 -0.03 -0.09 0.00 -0.60 0.00 0.00 56.93 56.65 3i5g s PHE 512 Cb 0.25 -0.02 -0.06 0.00 0.51 0.00 0.00 43.02 43.69 3i5g s PHE 512 CO -0.10 -0.27 0.48 -1.50 0.70 0.00 0.00 175.22 174.53 3i5g s ILE 513 N -1.20 5.01 -0.01 0.64 2.07 -1.26 -4.99 121.20 121.46 3i5g s ILE 513 Ca -0.13 0.44 -0.38 0.00 -1.41 0.00 0.00 60.65 59.17 3i5g s ILE 513 Cb -0.07 -3.64 -0.19 0.00 0.13 0.00 0.00 42.46 38.69 3i5g s ILE 513 CO 0.02 0.09 1.03 -0.67 -1.91 0.00 0.00 174.94 173.49 3i5g n ASP 514 N 0.31 0.01 0.27 4.50 -0.08 -1.26 -4.79 116.55 115.51 3i5g n ASP 514 Ca -0.03 1.10 0.13 0.00 -1.51 0.00 0.00 54.79 54.48 3i5g n ASP 514 Cb 0.52 -0.87 0.74 0.00 2.34 0.00 0.00 41.12 43.84 3i5g n ASP 514 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 3i5g h PHE 515 N 2.89 0.00 -0.90 -0.67 0.04 -1.91 -2.28 116.94 114.10 3i5g h PHE 515 Ca -0.48 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.34 3i5g h PHE 515 Cb 1.36 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.45 3i5g h PHE 515 CO 0.54 0.11 0.59 0.78 -0.60 0.00 0.00 178.31 179.73 3i5g h GLY 516 N 0.84 1.30 1.83 -1.45 0.00 -1.81 -2.05 103.07 101.73 3i5g h GLY 516 Ca -0.00 -0.42 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3i5g h GLY 516 CO 0.01 0.33 0.09 1.41 0.00 0.00 0.00 176.54 178.38 3i5g h LEU 517 N 1.06 0.00 -2.25 3.11 3.38 -1.76 -1.64 115.31 117.22 3i5g h LEU 517 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 3i5g h LEU 517 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3i5g h LEU 517 CO -0.13 0.00 0.00 0.44 0.09 0.00 0.00 178.44 178.84 3i5g h ASP 518 N 0.00 0.00 -0.08 -0.43 5.19 -1.54 -2.26 116.42 117.30 3i5g h ASP 518 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3i5g h ASP 518 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3i5g h ASP 518 CO -0.00 0.00 0.00 0.18 -3.12 0.00 0.00 179.24 176.30 3i5g n LEU 519 N -2.81 1.92 -0.09 1.55 4.77 -0.62 -4.67 117.00 117.05 3i5g n LEU 519 Ca -0.02 -1.51 -0.09 0.00 -0.03 0.00 0.00 56.01 54.37 3i5g n LEU 519 Cb 0.10 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.20 3i5g n LEU 519 CO 0.18 0.45 0.66 -0.61 -1.33 0.00 0.00 177.39 176.75 3i5g h GLN 520 N 0.94 0.80 -0.52 3.23 5.75 -1.47 -2.48 115.11 121.35 3i5g h GLN 520 Ca 0.00 -0.35 0.06 0.00 -0.15 0.00 0.00 58.65 58.21 3i5g h GLN 520 Cb 0.41 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 28.88 3i5g h GLN 520 CO 0.00 0.98 0.22 0.00 -2.65 0.00 0.00 178.83 177.38 3i5g h ALA 521 N 1.00 0.66 -0.07 3.38 0.00 -1.83 0.79 119.26 123.19 3i5g h ALA 521 Ca 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i5g h ALA 521 Cb 0.80 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 3i5g h ALA 521 CO 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 179.25 179.16 3i5g h ILE 523 N -0.18 1.04 -0.40 0.00 2.04 -0.94 -1.53 117.51 117.55 3i5g h ILE 523 Ca 0.02 -0.25 -0.08 0.00 1.00 0.00 0.00 64.86 65.55 3i5g h ILE 523 Cb 0.35 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 3i5g h ILE 523 CO 0.00 0.13 -0.07 -0.33 0.00 0.00 0.00 178.15 177.88 3i5g h GLU 524 N 0.72 0.68 0.00 2.37 5.08 0.68 -1.15 114.58 122.95 3i5g h GLU 524 Ca 0.26 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3i5g h GLU 524 Cb 0.07 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i5g h GLU 524 CO -0.13 0.75 0.00 1.25 -1.00 0.00 0.00 179.01 179.89 3i5g h LEU 525 N 0.63 0.00 0.00 1.33 5.85 0.03 -2.08 115.31 121.08 3i5g h LEU 525 Ca 0.12 0.00 -0.42 0.00 0.84 0.00 0.00 57.88 58.41 3i5g h LEU 525 Cb 0.50 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 3i5g h LEU 525 CO 0.03 0.00 -2.47 -0.38 -0.34 0.00 0.00 178.44 175.28 3i5g n ILE 526 N -2.40 1.52 0.31 4.05 5.41 -0.57 -2.01 119.36 125.68 3i5g n ILE 526 Ca -0.00 -0.47 0.09 0.00 1.00 0.00 0.00 62.75 63.36 3i5g n ILE 526 Cb 0.13 -1.66 -0.13 0.00 -0.71 0.00 0.00 39.64 37.27 3i5g n ILE 526 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 3i5g n GLU 527 N -3.76 0.75 -1.98 0.38 0.28 -0.54 -2.43 120.64 113.34 3i5g n GLU 527 Ca -0.49 -0.11 -0.32 0.00 -0.16 0.00 0.00 57.16 56.08 3i5g n GLU 527 Cb 0.94 -1.40 0.01 0.00 1.43 0.00 0.00 31.44 32.41 3i5g n GLU 527 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 3i5g s LYS 528 N -3.06 3.41 0.08 3.44 -2.85 -0.79 -4.88 119.74 115.08 3i5g s LYS 528 Ca -0.02 1.02 -0.34 0.00 -1.00 0.00 0.00 55.97 55.62 3i5g s LYS 528 Cb 0.12 -2.05 -0.14 0.00 -2.06 0.00 0.00 37.83 33.71 3i5g s LYS 528 CO 0.76 -0.72 1.64 -2.30 0.10 0.00 0.00 175.35 174.82 3i5g n PRO 529 N -2.32 2.03 -0.65 1.78 -0.02 -1.26 0.69 135.00 135.24 3i5g n PRO 529 Ca 0.08 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 3i5g n PRO 529 Cb 0.53 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3i5g n PRO 529 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3i5g n MET 530 N 4.21 0.00 -2.21 -0.52 2.81 -1.26 -5.05 117.12 115.10 3i5g n MET 530 Ca 0.19 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.81 3i5g n MET 530 Cb 0.27 -1.88 0.14 0.00 -0.71 0.00 0.00 33.22 31.04 3i5g n MET 530 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3i5g s GLY 531 N -1.92 1.76 0.14 3.03 0.00 0.22 -4.72 107.32 105.83 3i5g s GLY 531 Ca 0.00 -1.34 -0.28 0.00 0.00 0.00 0.00 44.72 43.10 3i5g s GLY 531 CO 0.00 -0.71 1.58 -2.22 0.00 0.00 0.00 173.10 171.75 3i5g h ILE 532 N -1.07 0.12 -0.52 0.90 2.04 -1.48 0.93 117.51 118.42 3i5g h ILE 532 Ca -0.41 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 3i5g h ILE 532 Cb 1.26 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3i5g h ILE 532 CO 0.43 0.00 0.17 -0.07 0.00 0.00 0.00 178.15 178.68 3i5g h LEU 533 N -0.40 0.71 -0.22 1.44 3.38 -1.76 -1.20 115.31 117.26 3i5g h LEU 533 Ca 0.11 -0.10 -0.22 0.00 0.09 0.00 0.00 57.88 57.76 3i5g h LEU 533 Cb 0.60 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.18 3i5g h LEU 533 CO -0.51 0.67 -0.79 -1.28 0.09 0.00 0.00 178.44 176.63 3i5g h SER 534 N 0.76 0.81 -0.57 -0.43 0.87 -1.67 0.47 113.55 113.78 3i5g h SER 534 Ca 0.18 -0.54 -0.06 0.00 -1.23 0.00 0.00 61.79 60.14 3i5g h SER 534 Cb 0.21 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 3i5g h SER 534 CO -0.01 1.32 0.14 0.40 -0.53 0.00 0.00 176.83 178.16 3i5g h ILE 535 N 0.45 1.24 -0.23 2.23 2.04 -0.63 -1.15 117.51 121.48 3i5g h ILE 535 Ca -0.05 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.90 3i5g h ILE 535 Cb 1.40 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.10 3i5g h ILE 535 CO 0.15 0.34 0.09 0.25 0.00 0.00 0.00 178.15 178.98 3i5g h LEU 536 N 0.91 0.32 0.66 1.44 5.85 -1.03 -2.01 115.31 121.45 3i5g h LEU 536 Ca 0.20 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 3i5g h LEU 536 Cb 0.34 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3i5g h LEU 536 CO 0.00 0.40 -0.47 -0.33 -0.34 0.00 0.00 178.44 177.70 3i5g h GLU 537 N 0.22 -1.03 -0.86 1.25 5.08 -0.45 -1.92 114.58 116.86 3i5g h GLU 537 Ca 0.08 0.07 0.17 0.00 -1.00 0.00 0.00 59.36 58.67 3i5g h GLU 537 Cb 0.18 0.23 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 3i5g h GLU 537 CO -0.01 -0.69 0.57 0.93 -1.00 0.00 0.00 179.01 178.81 3i5g h GLU 538 N -1.07 0.51 0.00 2.33 5.08 -1.24 0.77 114.58 120.97 3i5g h GLU 538 Ca -0.09 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3i5g h GLU 538 Cb 0.88 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.01 3i5g h GLU 538 CO 0.05 0.34 0.00 -1.91 -1.00 0.00 0.00 179.01 176.49 3i5g n GLU 539 N -4.53 0.12 0.07 2.33 4.07 -0.76 -2.26 120.64 119.69 3i5g n GLU 539 Ca 0.17 0.10 0.13 0.00 -0.06 0.00 0.00 57.16 57.51 3i5g n GLU 539 Cb 0.57 -1.50 0.38 0.00 -0.06 0.00 0.00 31.44 30.82 3i5g n GLU 539 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3i5g n MET 541 N -2.08 2.12 -3.73 0.00 2.81 -0.96 -4.79 117.12 110.49 3i5g n MET 541 Ca 0.05 -1.70 -0.38 0.00 -1.81 0.00 0.00 57.70 53.86 3i5g n MET 541 Cb 0.41 -1.44 -0.11 0.00 -0.71 0.00 0.00 33.22 31.37 3i5g n MET 541 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3i5g s PHE 542 N -1.60 3.39 0.18 2.03 0.40 -1.23 -5.01 117.98 116.14 3i5g s PHE 542 Ca 0.35 -1.85 -0.07 0.00 -0.60 0.00 0.00 56.93 54.76 3i5g s PHE 542 Cb 0.20 -2.80 0.28 0.00 0.51 0.00 0.00 43.02 41.21 3i5g s PHE 542 CO 0.28 -0.86 1.08 -2.30 0.70 0.00 0.00 175.22 174.12 3i5g n PRO 543 N 4.75 -0.09 -0.60 0.24 -0.02 -1.26 0.80 135.00 138.82 3i5g n PRO 543 Ca -0.09 1.08 0.03 0.00 -2.02 0.00 0.00 63.50 62.50 3i5g n PRO 543 Cb 0.43 -1.61 0.25 0.00 -0.02 0.00 0.00 33.50 32.55 3i5g n PRO 543 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i5g n LYS 544 N -5.10 3.43 -1.94 -0.52 4.76 -1.26 -4.95 118.16 112.58 3i5g n LYS 544 Ca 0.10 -2.04 -0.36 0.00 -2.87 0.00 0.00 58.31 53.14 3i5g n LYS 544 Cb 0.33 -1.99 0.04 0.00 -1.84 0.00 0.00 35.03 31.57 3i5g n LYS 544 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3i5g s ALA 545 N -2.14 2.50 0.08 7.82 0.00 0.24 -5.01 121.76 125.24 3i5g s ALA 545 Ca 0.35 1.06 -0.04 0.00 0.00 0.00 0.00 51.96 53.33 3i5g s ALA 545 Cb 0.27 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.89 3i5g s ALA 545 CO 0.10 -1.28 0.08 -1.54 0.00 0.00 0.00 175.76 173.12 3i5g s SER 546 N -1.54 0.31 0.33 0.00 1.04 -1.26 -4.98 113.70 107.59 3i5g s SER 546 Ca 0.79 -0.87 0.13 0.00 0.48 0.00 0.00 55.95 56.48 3i5g s SER 546 Cb -0.32 0.27 0.73 0.00 0.10 0.00 0.00 66.02 66.80 3i5g s SER 546 CO 0.35 -0.67 1.31 0.47 0.98 0.00 0.00 173.24 175.67 3i5g n ASP 547 N 0.01 0.35 -0.07 7.02 8.00 -1.26 -0.05 116.55 130.55 3i5g n ASP 547 Ca -0.13 0.56 -0.16 0.00 0.71 0.00 0.00 54.79 55.77 3i5g n ASP 547 Cb 0.62 -0.51 -0.14 0.00 -0.02 0.00 0.00 41.12 41.08 3i5g n ASP 547 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3i5g n THR 548 N -2.07 1.57 0.09 -3.53 -1.04 -1.26 -3.01 114.28 105.03 3i5g n THR 548 Ca -0.01 -0.69 -0.06 0.00 -2.04 0.00 0.00 64.05 61.26 3i5g n THR 548 Cb 0.32 -1.26 0.09 0.00 -1.82 0.00 0.00 70.33 67.66 3i5g n THR 548 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3i5g h SER 549 N 0.02 0.23 -0.19 8.00 4.64 -0.85 -1.71 113.55 123.70 3i5g h SER 549 Ca -0.48 -0.15 -0.17 0.00 -0.47 0.00 0.00 61.79 60.51 3i5g h SER 549 Cb 2.03 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 64.05 3i5g h SER 549 CO 0.01 0.84 -0.56 0.15 -0.87 0.00 0.00 176.83 176.40 3i5g h PHE 550 N 0.13 0.93 0.27 4.77 3.57 -1.24 -2.36 116.94 123.01 3i5g h PHE 550 Ca -0.02 -0.37 -0.01 0.00 3.53 0.00 0.00 57.97 61.11 3i5g h PHE 550 Cb 1.22 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 3i5g h PHE 550 CO 0.02 1.18 -0.19 -0.22 -2.23 0.00 0.00 178.31 176.87 3i5g h LYS 551 N 0.42 -0.44 -0.42 1.11 3.64 -1.44 -2.20 116.57 117.25 3i5g h LYS 551 Ca -0.02 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3i5g h LYS 551 Cb 1.19 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 3i5g h LYS 551 CO 0.12 -0.29 0.25 -0.91 -2.27 0.00 0.00 179.45 176.35 3i5g h ASN 552 N -0.45 0.50 1.16 4.20 2.35 -1.35 -0.30 115.58 121.68 3i5g h ASN 552 Ca -0.02 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3i5g h ASN 552 Cb 0.39 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3i5g h ASN 552 CO 0.00 0.39 0.00 0.50 -1.65 0.00 0.00 177.43 176.67 3i5g h LYS 553 N 0.58 0.00 0.04 0.81 3.64 -1.03 0.43 116.57 121.03 3i5g h LYS 553 Ca 0.15 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3i5g h LYS 553 Cb -0.01 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3i5g h LYS 553 CO -0.03 0.00 -0.23 -0.07 -2.27 0.00 0.00 179.45 176.85 3i5g h LEU 554 N 0.00 0.14 -0.24 5.20 3.38 -0.48 -3.03 115.31 120.28 3i5g h LEU 554 Ca 0.00 -0.96 0.03 0.00 0.09 0.00 0.00 57.88 57.04 3i5g h LEU 554 Cb 0.58 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3i5g h LEU 554 CO 0.00 1.09 0.06 1.88 0.09 0.00 0.00 178.44 181.56 3i5g h TYR 555 N -0.78 0.11 -0.11 1.13 0.99 -0.96 0.71 116.97 118.04 3i5g h TYR 555 Ca -0.04 0.01 0.02 0.00 2.00 0.00 0.00 58.73 60.73 3i5g h TYR 555 Cb 1.16 -0.01 -0.05 0.00 1.00 0.00 0.00 36.73 38.83 3i5g h TYR 555 CO 0.25 0.04 -0.45 -0.44 -0.00 0.00 0.00 178.16 177.56 3i5g h ASP 556 N 0.16 -1.43 -0.14 3.88 5.19 -0.26 -2.56 116.42 121.27 3i5g h ASP 556 Ca 0.11 0.17 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 3i5g h ASP 556 Cb 0.09 0.56 -0.01 0.00 0.18 0.00 0.00 39.33 40.15 3i5g h ASP 556 CO -0.13 -0.40 -0.00 0.78 -3.12 0.00 0.00 179.24 176.37 3i5g h ASN 557 N -0.48 0.32 0.00 6.45 2.35 -1.38 -3.42 115.58 119.43 3i5g h ASN 557 Ca 0.03 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3i5g h ASN 557 Cb 0.56 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.85 3i5g h ASN 557 CO -0.36 0.39 -0.43 1.41 -1.65 0.00 0.00 177.43 176.79 3i5g n HIS 558 N -4.34 0.00 -1.64 1.19 8.25 0.22 -4.87 115.22 114.04 3i5g n HIS 558 Ca 0.00 0.00 -0.55 0.00 -0.26 0.00 0.00 57.72 56.92 3i5g n HIS 558 Cb 0.20 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.25 3i5g n HIS 558 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 3i5g n LEU 559 N -1.29 1.85 0.00 2.41 7.94 -0.97 0.11 117.00 127.04 3i5g n LEU 559 Ca 0.00 1.11 0.00 0.00 -1.11 0.00 0.00 56.01 56.01 3i5g n LEU 559 Cb 0.21 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 43.01 3i5g n LEU 559 CO 0.00 -0.84 0.00 0.61 -1.11 0.00 0.00 177.39 176.05 3i5g n GLY 560 N 3.15 1.38 0.60 -3.96 0.00 -1.26 -4.70 105.19 100.40 3i5g n GLY 560 Ca 0.22 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 3i5g n GLY 560 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i5g n LYS 561 N -1.72 1.80 -3.65 1.61 5.02 0.29 -4.87 118.16 116.64 3i5g n LYS 561 Ca 0.00 -1.21 -0.06 0.00 -2.02 0.00 0.00 58.31 55.02 3i5g n LYS 561 Cb 0.00 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.47 3i5g n LYS 561 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3i5g s ASN 562 N -2.04 -0.89 0.25 4.39 3.84 -0.88 -4.99 114.94 114.63 3i5g s ASN 562 Ca 0.34 1.41 -0.04 0.00 0.21 0.00 0.00 52.86 54.78 3i5g s ASN 562 Cb 0.21 1.56 0.42 0.00 -0.55 0.00 0.00 41.25 42.88 3i5g s ASN 562 CO 0.34 -0.23 1.81 1.55 -2.79 0.00 0.00 177.10 177.78 3i5g h PRO 563 N 7.39 0.78 -0.33 0.43 0.13 -1.90 -2.35 132.00 136.15 3i5g h PRO 563 Ca -0.26 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3i5g h PRO 563 Cb 1.18 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 3i5g h PRO 563 CO 0.16 0.52 0.21 0.52 -0.23 0.00 0.00 178.00 179.18 3i5g h MET 564 N 0.81 0.44 -5.39 0.86 2.86 -1.95 -3.40 114.93 109.16 3i5g h MET 564 Ca 0.41 -0.03 -0.65 0.00 -2.06 0.00 0.00 59.70 57.37 3i5g h MET 564 Cb 0.39 -0.10 -0.15 0.00 0.06 0.00 0.00 31.60 31.80 3i5g h MET 564 CO -0.25 0.30 0.10 0.12 1.06 0.00 0.00 176.91 178.23 3i5g s PHE 565 N -5.40 3.09 0.03 -0.22 5.36 -0.88 -2.84 117.98 117.11 3i5g s PHE 565 Ca -0.08 0.02 0.00 0.00 -0.96 0.00 0.00 56.93 55.91 3i5g s PHE 565 Cb 0.17 -3.26 0.00 0.00 -0.34 0.00 0.00 43.02 39.59 3i5g s PHE 565 CO 0.72 -0.80 0.01 0.41 -1.46 0.00 0.00 175.22 174.10 3i5g n GLY 566 N 4.96 3.77 2.99 13.12 0.00 -0.25 -4.44 105.19 125.34 3i5g n GLY 566 Ca -0.02 -2.20 -0.13 0.00 0.00 0.00 0.00 46.02 43.67 3i5g n GLY 566 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i5g s LYS 567 N -2.11 0.15 0.00 1.61 2.20 -1.26 -2.47 119.74 117.86 3i5g s LYS 567 Ca 0.01 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3i5g s LYS 567 Cb -0.00 -0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 3i5g s LYS 567 CO 0.00 -0.12 0.00 -0.35 -0.36 0.00 0.00 175.35 174.52 3i5g n PRO 568 N 3.86 0.86 -3.73 4.03 -0.04 -1.26 -4.90 135.00 133.82 3i5g n PRO 568 Ca -0.22 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.11 3i5g n PRO 568 Cb 0.54 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.89 3i5g n PRO 568 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 3i5g s LYS 569 N -0.53 0.43 -0.26 0.54 0.00 -1.26 -4.99 119.74 113.67 3i5g s LYS 569 Ca 0.00 0.60 -0.24 0.00 0.00 0.00 0.00 55.97 56.33 3i5g s LYS 569 Cb 0.00 0.14 -0.10 0.00 0.00 0.00 0.00 37.83 37.87 3i5g s LYS 569 CO 0.00 -0.09 0.86 -2.30 0.00 0.00 0.00 175.35 173.82 3i5g n PRO 570 N 3.30 0.00 0.00 1.78 -0.02 -1.26 -4.90 135.00 133.90 3i5g n PRO 570 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3i5g n PRO 570 Cb 0.57 -0.77 0.00 0.00 -0.02 0.00 0.00 33.50 33.27 3i5g n PRO 570 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3i5g n PRO 571 N 2.28 0.00 -2.86 0.52 -0.02 -1.26 -4.97 135.00 128.70 3i5g n PRO 571 Ca 0.17 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.22 3i5g n PRO 571 Cb -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.45 3i5g n PRO 571 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3i5g n LYS 572 N 0.00 3.81 0.00 -0.52 3.00 -1.26 -4.93 118.16 118.27 3i5g n LYS 572 Ca 0.00 -4.08 0.00 0.00 -0.00 0.00 0.00 58.31 54.23 3i5g n LYS 572 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 35.03 32.28 3i5g n LYS 572 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3i5g n ALA 573 N 3.25 0.00 -0.05 3.14 0.00 -1.26 -0.83 120.51 124.76 3i5g n ALA 573 Ca 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.68 3i5g n ALA 573 Cb 0.37 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.68 3i5g n ALA 573 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5g n GLY 574 N 0.00 -1.01 3.54 0.00 0.00 -1.26 -4.80 105.19 101.66 3i5g n GLY 574 Ca 0.00 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 3i5g n GLY 574 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i5g n ALA 576 N 15.14 -1.64 -2.67 0.00 0.00 -1.26 -4.04 120.51 126.04 3i5g n ALA 576 Ca 0.47 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.49 3i5g n ALA 576 Cb 0.41 -0.16 -0.04 0.00 0.00 0.00 0.00 19.45 19.65 3i5g n ALA 576 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3i5g s GLU 577 N -0.11 4.28 0.14 0.00 2.12 -1.26 -4.57 118.70 119.30 3i5g s GLU 577 Ca 0.07 1.01 -0.10 0.00 0.36 0.00 0.00 54.97 56.30 3i5g s GLU 577 Cb -0.06 -3.58 -0.06 0.00 0.26 0.00 0.00 34.13 30.69 3i5g s GLU 577 CO 0.07 -0.35 0.46 0.00 -0.54 0.00 0.00 175.26 174.90 3i5g s ALA 578 N 2.22 3.67 -0.38 6.30 0.00 -1.26 -4.56 121.76 127.75 3i5g s ALA 578 Ca 0.38 -0.33 0.09 0.00 0.00 0.00 0.00 51.96 52.10 3i5g s ALA 578 Cb -0.16 -2.34 -0.10 0.00 0.00 0.00 0.00 23.12 20.52 3i5g s ALA 578 CO 0.12 0.55 0.37 0.72 0.00 0.00 0.00 175.76 177.51 3i5g n HIS 579 N 0.53 0.00 0.00 0.00 -0.00 0.20 -4.72 115.22 111.23 3i5g n HIS 579 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.67 3i5g n HIS 579 Cb 0.52 -0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.49 3i5g n HIS 579 CO 0.00 0.00 0.00 1.97 -0.00 0.00 0.00 176.34 178.31 3i5g n PHE 580 N -1.28 0.00 -4.23 4.41 1.16 -1.09 -4.75 117.46 111.68 3i5g n PHE 580 Ca 0.01 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.41 3i5g n PHE 580 Cb 0.15 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 37.90 3i5g n PHE 580 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3i5g s LEU 582 N -1.34 2.81 -0.49 0.00 1.43 -0.14 -1.09 118.68 119.87 3i5g s LEU 582 Ca -0.02 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.44 3i5g s LEU 582 Cb -0.09 -1.64 0.09 0.00 0.03 0.00 0.00 46.19 44.58 3i5g s LEU 582 CO 0.01 0.19 0.44 -2.28 0.23 0.00 0.00 176.35 174.94 3i5g s HIS 583 N -1.15 3.23 0.39 0.29 5.65 -1.13 -0.62 115.29 121.95 3i5g s HIS 583 Ca 0.19 -1.00 0.01 0.00 0.25 0.00 0.00 55.06 54.51 3i5g s HIS 583 Cb -0.11 -3.37 -0.02 0.00 -1.18 0.00 0.00 32.58 27.90 3i5g s HIS 583 CO 0.11 -0.88 0.58 -1.01 -0.65 0.00 0.00 174.74 172.89 3i5g s HIS 584 N 1.71 3.32 0.58 3.88 3.76 0.20 -4.85 115.29 123.88 3i5g s HIS 584 Ca 0.05 0.20 0.28 0.00 -0.15 0.00 0.00 55.06 55.43 3i5g s HIS 584 Cb -0.25 -2.08 1.64 0.00 1.11 0.00 0.00 32.58 32.99 3i5g s HIS 584 CO 0.06 -0.10 2.10 0.10 -0.85 0.00 0.00 174.74 176.05 3i5g h TYR 585 N 0.63 0.00 -0.33 1.40 -0.00 -1.96 0.24 116.97 116.95 3i5g h TYR 585 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.25 3i5g h TYR 585 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.97 3i5g h TYR 585 CO 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 178.16 178.63 3i5g n ALA 586 N -2.35 2.46 0.00 0.10 0.00 -1.26 -4.90 120.51 114.55 3i5g n ALA 586 Ca 0.02 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3i5g n ALA 586 Cb 0.32 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3i5g n ALA 586 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5g n GLY 587 N 1.10 0.56 3.76 0.00 0.00 0.84 -4.74 105.19 106.72 3i5g n GLY 587 Ca 0.13 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 3i5g n GLY 587 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i5g s SER 588 N -2.31 6.53 -0.05 1.61 0.15 -1.26 0.58 113.70 118.95 3i5g s SER 588 Ca 0.00 0.63 0.06 0.00 0.70 0.00 0.00 55.95 57.33 3i5g s SER 588 Cb 0.00 -2.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 3i5g s SER 588 CO 0.00 0.16 -0.21 -0.69 1.20 0.00 0.00 173.24 173.70 3i5g s VAL 589 N 0.04 2.41 -0.19 4.45 1.01 0.21 -4.94 120.40 123.39 3i5g s VAL 589 Ca 0.19 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3i5g s VAL 589 Cb -0.14 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 3i5g s VAL 589 CO 0.06 0.58 0.04 -0.44 0.00 0.00 0.00 175.10 175.34 3i5g s SER 590 N -0.44 5.32 0.15 3.32 0.01 -1.26 -0.96 113.70 119.83 3i5g s SER 590 Ca 0.05 -0.04 0.09 0.00 1.31 0.00 0.00 55.95 57.36 3i5g s SER 590 Cb -0.12 -1.91 -0.04 0.00 0.21 0.00 0.00 66.02 64.16 3i5g s SER 590 CO 0.01 0.12 -0.15 -0.31 0.41 0.00 0.00 173.24 173.32 3i5g s TYR 591 N 0.67 2.54 0.06 2.43 1.51 0.17 -4.16 117.35 120.57 3i5g s TYR 591 Ca 0.02 -0.26 0.00 0.00 -1.01 0.00 0.00 57.07 55.82 3i5g s TYR 591 Cb -0.13 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.38 3i5g s TYR 591 CO 0.02 0.46 0.20 0.45 -1.11 0.00 0.00 175.55 175.57 3i5g s SER 592 N -2.50 6.30 -0.01 2.29 0.15 -0.48 0.60 113.70 120.04 3i5g s SER 592 Ca 0.21 0.25 0.18 0.00 0.70 0.00 0.00 55.95 57.29 3i5g s SER 592 Cb -0.09 -1.93 -0.24 0.00 -1.71 0.00 0.00 66.02 62.05 3i5g s SER 592 CO 0.12 0.17 0.53 -0.38 1.20 0.00 0.00 173.24 174.88 3i5g n ILE 593 N 0.28 0.00 -1.62 6.45 2.08 -1.26 -4.51 119.36 120.78 3i5g n ILE 593 Ca -0.05 -0.28 -0.53 0.00 0.56 0.00 0.00 62.75 62.45 3i5g n ILE 593 Cb 0.51 0.46 -0.06 0.00 -0.75 0.00 0.00 39.64 39.80 3i5g n ILE 593 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3i5g n ALA 594 N -1.83 -0.58 0.00 -1.39 0.00 -1.26 -2.50 120.51 112.96 3i5g n ALA 594 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3i5g n ALA 594 Cb 0.38 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.69 3i5g n ALA 594 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5g n GLY 595 N 3.00 3.07 0.38 0.00 0.00 -1.26 -4.91 105.19 105.46 3i5g n GLY 595 Ca 0.20 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.44 3i5g n GLY 595 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3i5g h TRP 596 N 0.00 0.81 -0.61 1.61 4.06 -1.86 0.24 115.95 120.20 3i5g h TRP 596 Ca 0.00 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.95 3i5g h TRP 596 Cb 0.00 -0.23 -0.03 0.00 -1.00 0.00 0.00 29.16 27.90 3i5g h TRP 596 CO 0.00 0.01 0.26 -0.07 -3.56 0.00 0.00 178.44 175.07 3i5g h LEU 597 N 0.42 0.80 0.05 -4.49 3.38 -1.91 0.12 115.31 113.69 3i5g h LEU 597 Ca 0.65 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.52 3i5g h LEU 597 Cb 1.52 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3i5g h LEU 597 CO -0.41 0.71 -0.02 0.44 0.09 0.00 0.00 178.44 179.24 3i5g h ASP 598 N 0.87 -0.06 -0.50 -0.43 3.32 -1.05 -3.28 116.42 115.31 3i5g h ASP 598 Ca 0.21 -0.55 0.14 0.00 0.02 0.00 0.00 57.03 56.85 3i5g h ASP 598 Cb 0.15 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3i5g h ASP 598 CO -0.02 0.67 0.38 0.11 -1.72 0.00 0.00 179.24 178.66 3i5g h LYS 599 N -0.93 0.00 0.00 3.56 1.57 -0.82 -2.78 116.57 117.17 3i5g h LYS 599 Ca -0.01 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3i5g h LYS 599 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3i5g h LYS 599 CO 0.01 0.00 -0.77 -0.97 -0.57 0.00 0.00 179.45 177.15 3i5g h ASN 600 N 0.00 0.00 -2.72 0.86 -1.24 -0.83 -3.45 115.58 108.20 3i5g h ASN 600 Ca 0.24 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.72 3i5g h ASN 600 Cb 1.00 0.00 0.03 0.00 0.73 0.00 0.00 38.32 40.07 3i5g h ASN 600 CO -0.00 0.56 0.97 -0.54 -1.29 0.00 0.00 177.43 177.13 3i5g s LYS 601 N -2.93 4.20 -0.37 6.67 1.02 -1.05 -1.80 119.74 125.49 3i5g s LYS 601 Ca 0.02 2.34 0.13 0.00 0.02 0.00 0.00 55.97 58.48 3i5g s LYS 601 Cb 0.08 -3.50 0.40 0.00 -0.52 0.00 0.00 37.83 34.30 3i5g s LYS 601 CO 0.77 -0.70 1.04 -3.47 -0.92 0.00 0.00 175.35 172.07 3i5g n ASP 602 N 5.22 -0.07 -4.77 2.83 2.03 -0.81 -4.83 116.55 116.15 3i5g n ASP 602 Ca 0.15 -2.82 -0.41 0.00 0.52 0.00 0.00 54.79 52.23 3i5g n ASP 602 Cb 0.40 0.19 -0.01 0.00 -0.72 0.00 0.00 41.12 40.98 3i5g n ASP 602 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 3i5g s PRO 603 N -1.65 4.17 0.04 -0.67 0.04 -1.13 -3.95 135.00 131.85 3i5g s PRO 603 Ca 0.27 2.48 -0.19 0.00 0.04 0.00 0.00 61.00 63.60 3i5g s PRO 603 Cb 0.40 -3.00 -0.06 0.00 0.04 0.00 0.00 34.50 31.88 3i5g s PRO 603 CO -0.03 -0.45 0.56 0.42 0.04 0.00 0.00 177.00 177.54 3i5g s ILE 604 N -1.04 4.82 -0.65 0.56 1.01 -1.26 -4.83 121.20 119.81 3i5g s ILE 604 Ca 0.52 1.18 0.04 0.00 0.00 0.00 0.00 60.65 62.40 3i5g s ILE 604 Cb -0.45 -3.89 0.16 0.00 0.01 0.00 0.00 42.46 38.29 3i5g s ILE 604 CO 0.60 0.52 0.43 0.20 0.00 0.00 0.00 174.94 176.68 3i5g s ASN 605 N -0.82 4.70 0.08 3.58 0.01 -1.26 -4.50 114.94 116.73 3i5g s ASN 605 Ca 0.29 -3.58 -0.08 0.00 -0.71 0.00 0.00 52.86 48.78 3i5g s ASN 605 Cb -0.19 -1.65 0.06 0.00 0.41 0.00 0.00 41.25 39.88 3i5g s ASN 605 CO 0.18 -0.14 0.57 -0.62 -1.51 0.00 0.00 177.10 175.58 3i5g n GLU 606 N 2.35 -0.11 -0.32 -0.60 1.02 -1.26 0.08 120.64 121.80 3i5g n GLU 606 Ca 0.15 0.56 0.05 0.00 -0.02 0.00 0.00 57.16 57.90 3i5g n GLU 606 Cb 0.34 -0.83 0.20 0.00 -0.02 0.00 0.00 31.44 31.13 3i5g n GLU 606 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3i5g h ASN 607 N 0.00 0.76 0.23 1.62 2.35 -1.93 0.11 115.58 118.71 3i5g h ASN 607 Ca 0.11 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 3i5g h ASN 607 Cb 0.20 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3i5g h ASN 607 CO -0.36 0.41 -0.23 0.58 -1.65 0.00 0.00 177.43 176.18 3i5g h VAL 608 N 0.85 1.17 0.28 2.81 2.07 -0.64 -1.69 116.25 121.08 3i5g h VAL 608 Ca 0.44 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3i5g h VAL 608 Cb 0.45 1.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3i5g h VAL 608 CO -0.27 0.22 -0.13 0.58 0.02 0.00 0.00 177.57 177.99 3i5g h VAL 609 N 0.00 0.45 -0.37 2.57 2.07 -0.74 0.92 116.25 121.16 3i5g h VAL 609 Ca -0.00 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.74 3i5g h VAL 609 Cb 0.41 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 3i5g h VAL 609 CO 0.03 0.11 -0.24 -0.33 0.02 0.00 0.00 177.57 177.17 3i5g h GLU 610 N -0.98 -0.18 -0.79 1.57 4.39 -1.26 0.11 114.58 117.44 3i5g h GLU 610 Ca -0.04 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.71 3i5g h GLU 610 Cb 0.47 0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.12 3i5g h GLU 610 CO 0.06 -0.12 0.52 1.25 -1.16 0.00 0.00 179.01 179.56 3i5g h LEU 611 N -0.18 0.83 0.00 1.33 5.85 -1.37 -0.31 115.31 121.45 3i5g h LEU 611 Ca 0.18 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3i5g h LEU 611 Cb 0.46 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.31 3i5g h LEU 611 CO -0.47 0.56 0.00 0.18 -0.34 0.00 0.00 178.44 178.37 3i5g n LEU 612 N -4.45 0.00 -1.44 2.25 4.77 0.32 -3.12 117.00 115.32 3i5g n LEU 612 Ca 0.10 0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 56.18 3i5g n LEU 612 Cb 0.13 -0.18 0.06 0.00 -2.33 0.00 0.00 43.42 41.09 3i5g n LEU 612 CO 0.35 -0.06 0.80 0.00 -1.33 0.00 0.00 177.39 177.15 3i5g n GLN 613 N -1.18 1.43 -4.21 3.23 6.02 -0.13 -4.38 117.38 118.17 3i5g n GLN 613 Ca 0.12 -1.03 -0.14 0.00 -0.01 0.00 0.00 57.00 55.95 3i5g n GLN 613 Cb 0.13 -1.40 -0.10 0.00 1.02 0.00 0.00 30.24 29.89 3i5g n GLN 613 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3i5g s ASN 614 N 0.26 1.58 1.66 1.08 0.01 -1.18 -4.87 114.94 113.47 3i5g s ASN 614 Ca 0.19 -0.95 0.00 0.00 -0.71 0.00 0.00 52.86 51.40 3i5g s ASN 614 Cb 0.16 0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.84 3i5g s ASN 614 CO 0.03 -0.33 0.00 -0.24 -1.51 0.00 0.00 177.10 175.05 3i5g n SER 615 N 0.07 0.00 -1.06 -1.22 2.88 -1.26 -4.65 113.62 108.39 3i5g n SER 615 Ca -0.12 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.27 3i5g n SER 615 Cb 0.60 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.04 3i5g n SER 615 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3i5g n LYS 616 N 13.61 0.00 -0.22 -1.46 4.76 -1.26 -4.61 118.16 128.98 3i5g n LYS 616 Ca 0.00 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.40 3i5g n LYS 616 Cb 0.00 -0.34 0.02 0.00 -1.84 0.00 0.00 35.03 32.87 3i5g n LYS 616 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 3i5g h GLU 617 N 1.02 -0.12 -0.44 1.97 5.08 -1.95 -2.37 114.58 117.76 3i5g h GLU 617 Ca -0.10 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 3i5g h GLU 617 Cb 0.31 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3i5g h GLU 617 CO 0.20 -0.08 0.25 -1.00 -1.00 0.00 0.00 179.01 177.38 3i5g h PRO 618 N -0.13 0.60 -0.70 2.33 0.13 -1.99 -2.72 132.00 129.52 3i5g h PRO 618 Ca 0.26 -0.06 0.08 0.00 -0.87 0.00 0.00 66.00 65.41 3i5g h PRO 618 Cb 0.55 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.51 3i5g h PRO 618 CO -0.70 0.46 0.46 0.82 -0.23 0.00 0.00 178.00 178.81 3i5g h ILE 619 N 0.58 0.96 0.00 -3.56 2.04 -1.81 0.12 117.51 115.84 3i5g h ILE 619 Ca 0.16 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.80 3i5g h ILE 619 Cb 0.03 0.27 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3i5g h ILE 619 CO -0.03 0.12 0.00 0.52 0.00 0.00 0.00 178.15 178.76 3i5g n VAL 620 N -4.49 0.00 -0.11 1.67 0.31 -0.93 -1.48 118.33 113.31 3i5g n VAL 620 Ca 0.11 1.31 -0.03 0.00 -0.01 0.00 0.00 64.34 65.72 3i5g n VAL 620 Cb 0.30 -2.30 -0.03 0.00 -0.91 0.00 0.00 33.84 30.91 3i5g n VAL 620 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3i5g n LYS 621 N -1.54 -0.11 -0.27 5.55 4.81 -1.00 -0.49 118.16 125.10 3i5g n LYS 621 Ca 0.00 0.82 -0.10 0.00 -0.87 0.00 0.00 58.31 58.16 3i5g n LYS 621 Cb 0.00 -1.22 -0.06 0.00 0.02 0.00 0.00 35.03 33.77 3i5g n LYS 621 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 3i5g h MET 622 N 0.00 -0.17 -0.77 1.64 2.86 -0.81 0.16 114.93 117.84 3i5g h MET 622 Ca 0.04 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 3i5g h MET 622 Cb 0.10 0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 3i5g h MET 622 CO -0.24 -0.12 0.03 1.28 1.06 0.00 0.00 176.91 178.93 3i5g n LEU 623 N -5.36 3.95 -0.09 1.22 4.77 -0.55 -4.05 117.00 116.89 3i5g n LEU 623 Ca 0.01 -2.01 -0.16 0.00 -0.03 0.00 0.00 56.01 53.82 3i5g n LEU 623 Cb 0.33 -0.62 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 3i5g n LEU 623 CO -0.07 0.50 -1.09 0.49 -1.33 0.00 0.00 177.39 175.90 3i5g n PHE 624 N 0.30 0.00 0.00 -1.77 0.99 0.48 -4.68 117.46 112.78 3i5g n PHE 624 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 3i5g n PHE 624 Cb 0.85 -0.65 0.00 0.00 -1.00 0.00 0.00 39.48 38.68 3i5g n PHE 624 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3i5g n THR 625 N -3.47 0.00 0.00 4.37 -1.04 -0.66 -5.06 114.28 108.42 3i5g n THR 625 Ca -0.33 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 3i5g n THR 625 Cb 0.78 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 3i5g n THR 625 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i5g n ALA 643 N -0.62 0.00 -2.92 2.41 0.00 -1.26 -5.17 120.51 112.95 3i5g n ALA 643 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3i5g n ALA 643 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3i5g n ALA 643 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3i5g n PHE 644 N 0.00 -1.87 -0.81 0.00 3.01 -1.26 -4.95 117.46 111.58 3i5g n PHE 644 Ca 0.00 0.99 0.00 0.00 1.01 0.00 0.00 57.45 59.45 3i5g n PHE 644 Cb 0.00 -2.29 0.00 0.00 -0.01 0.00 0.00 39.48 37.18 3i5g n PHE 644 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3i5g n GLN 645 N 1.72 3.31 -4.08 -1.08 1.13 -1.25 -4.67 117.38 112.44 3i5g n GLN 645 Ca -0.11 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.86 3i5g n GLN 645 Cb 0.29 0.00 -0.09 0.00 0.11 0.00 0.00 30.24 30.55 3i5g n GLN 645 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3i5g s THR 646 N 1.78 0.11 0.21 5.09 -4.23 -1.26 -1.92 115.64 115.41 3i5g s THR 646 Ca 0.00 -1.74 -0.06 0.00 -1.18 0.00 0.00 61.69 58.71 3i5g s THR 646 Cb 0.00 -1.92 0.04 0.00 1.34 0.00 0.00 72.50 71.97 3i5g s THR 646 CO 0.00 -0.48 1.63 0.40 -0.54 0.00 0.00 174.62 175.63 3i5g h ILE 647 N 2.81 1.27 -0.18 2.99 2.04 -1.66 -2.64 117.51 122.14 3i5g h ILE 647 Ca -0.34 -1.28 -0.12 0.00 1.00 0.00 0.00 64.86 64.12 3i5g h ILE 647 Cb 1.20 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.37 3i5g h ILE 647 CO 0.57 0.44 -0.39 0.77 0.00 0.00 0.00 178.15 179.53 3i5g h SER 648 N 0.76 0.43 0.49 1.72 4.64 -1.95 0.16 113.55 119.80 3i5g h SER 648 Ca 0.11 -0.18 -0.13 0.00 -0.47 0.00 0.00 61.79 61.12 3i5g h SER 648 Cb 0.69 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3i5g h SER 648 CO 0.05 0.78 -0.57 0.77 -0.87 0.00 0.00 176.83 176.99 3i5g h SER 649 N 0.34 0.09 0.46 4.97 4.64 -1.91 -1.77 113.55 120.39 3i5g h SER 649 Ca 0.03 -0.05 -0.21 0.00 -0.47 0.00 0.00 61.79 61.09 3i5g h SER 649 Cb 0.84 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 3i5g h SER 649 CO 0.07 0.64 -0.92 0.58 -0.87 0.00 0.00 176.83 176.33 3i5g h VAL 650 N 0.06 1.45 0.04 0.95 2.07 -1.19 -2.74 116.25 116.89 3i5g h VAL 650 Ca -0.00 -2.55 -0.00 0.00 0.82 0.00 0.00 66.70 64.96 3i5g h VAL 650 Cb 1.03 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 33.25 3i5g h VAL 650 CO 0.08 0.75 -0.02 -0.74 0.02 0.00 0.00 177.57 177.66 3i5g h HIS 651 N 0.17 -0.05 -0.75 1.57 6.17 -0.73 -1.51 115.15 120.02 3i5g h HIS 651 Ca -0.06 -0.00 0.13 0.00 0.71 0.00 0.00 60.37 61.15 3i5g h HIS 651 Cb 1.55 0.02 -0.09 0.00 2.52 0.00 0.00 27.41 31.41 3i5g h HIS 651 CO 0.04 0.09 0.31 0.87 0.71 0.00 0.00 177.93 179.96 3i5g h LYS 652 N -0.19 0.46 -0.49 5.26 1.57 -1.35 0.14 116.57 121.98 3i5g h LYS 652 Ca -0.01 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 3i5g h LYS 652 Cb 0.17 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3i5g h LYS 652 CO 0.01 0.30 0.03 1.49 -0.57 0.00 0.00 179.45 180.72 3i5g h GLU 653 N 0.47 0.84 -0.32 3.15 4.81 -1.16 0.36 114.58 122.75 3i5g h GLU 653 Ca 0.40 -0.25 -0.18 0.00 -0.13 0.00 0.00 59.36 59.20 3i5g h GLU 653 Cb 0.59 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 3i5g h GLU 653 CO -0.38 0.87 -0.50 1.03 -0.73 0.00 0.00 179.01 179.30 3i5g h SER 654 N 0.71 0.98 -0.46 1.04 0.87 -0.70 -1.79 113.55 114.20 3i5g h SER 654 Ca 0.14 -0.50 -0.09 0.00 -1.23 0.00 0.00 61.79 60.11 3i5g h SER 654 Cb 0.47 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 3i5g h SER 654 CO 0.02 1.30 -0.04 0.25 -0.53 0.00 0.00 176.83 177.83 3i5g h LEU 655 N 0.70 0.88 -0.97 2.23 5.85 -0.60 0.91 115.31 124.30 3i5g h LEU 655 Ca 0.03 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 3i5g h LEU 655 Cb 1.10 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 3i5g h LEU 655 CO 0.11 0.96 0.34 0.78 -0.34 0.00 0.00 178.44 180.30 3i5g h ASN 656 N 0.82 0.98 -0.22 1.25 2.35 -0.06 -2.05 115.58 118.66 3i5g h ASN 656 Ca 0.15 -0.12 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 3i5g h ASN 656 Cb 0.55 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 3i5g h ASN 656 CO 0.03 0.84 -0.35 0.50 -1.65 0.00 0.00 177.43 176.81 3i5g h LYS 657 N 1.06 0.63 -0.12 0.81 3.64 -0.61 -1.09 116.57 120.88 3i5g h LYS 657 Ca 0.25 -0.38 0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3i5g h LYS 657 Cb 0.14 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.94 3i5g h LYS 657 CO -0.03 0.99 -0.25 1.25 -2.27 0.00 0.00 179.45 179.14 3i5g h LEU 658 N 0.33 -0.78 -0.43 5.20 5.85 -0.63 -1.99 115.31 122.86 3i5g h LEU 658 Ca 0.02 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.90 3i5g h LEU 658 Cb 0.94 0.34 -0.04 0.00 0.37 0.00 0.00 40.66 42.27 3i5g h LEU 658 CO 0.08 -0.30 0.21 0.24 -0.34 0.00 0.00 178.44 178.33 3i5g h MET 659 N -0.32 0.42 -0.44 1.25 2.86 -1.32 -0.31 114.93 117.07 3i5g h MET 659 Ca 0.10 -0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.84 3i5g h MET 659 Cb 0.47 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.02 3i5g h MET 659 CO -0.31 0.28 0.40 -0.22 1.06 0.00 0.00 176.91 178.12 3i5g h LYS 660 N 0.43 0.00 0.19 1.72 1.63 -0.66 -1.30 116.57 118.58 3i5g h LYS 660 Ca 0.18 0.00 -0.35 0.00 -0.85 0.00 0.00 60.65 59.63 3i5g h LYS 660 Cb 0.09 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.73 3i5g h LYS 660 CO -0.13 0.00 -1.76 -0.91 -3.45 0.00 0.00 179.45 173.20 3i5g h ASN 661 N 0.00 0.61 -0.37 4.20 -0.26 -0.40 -3.35 115.58 116.01 3i5g h ASN 661 Ca 0.21 -0.94 -0.03 0.00 -0.56 0.00 0.00 56.30 54.98 3i5g h ASN 661 Cb 1.01 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 38.05 3i5g h ASN 661 CO -0.00 1.79 0.13 -0.07 -1.06 0.00 0.00 177.43 178.22 3i5g h LEU 662 N 0.10 0.53 0.00 1.61 3.38 -0.09 -2.43 115.31 118.41 3i5g h LEU 662 Ca -0.35 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.43 3i5g h LEU 662 Cb 2.09 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.71 3i5g h LEU 662 CO 0.17 0.58 0.00 -1.22 0.09 0.00 0.00 178.44 178.06 3i5g n TYR 663 N -4.64 0.00 -0.28 1.13 4.02 -0.69 -1.17 117.16 115.52 3i5g n TYR 663 Ca -0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.90 57.96 3i5g n TYR 663 Cb 0.16 0.00 0.22 0.00 -0.02 0.00 0.00 39.34 39.70 3i5g n TYR 663 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3i5g n SER 664 N -0.82 3.36 -4.18 7.72 7.64 -0.92 -4.97 113.62 121.46 3i5g n SER 664 Ca 0.05 -2.05 -0.11 0.00 1.01 0.00 0.00 58.87 57.78 3i5g n SER 664 Cb 0.02 -0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 62.79 3i5g n SER 664 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i5g s THR 665 N -1.08 0.61 -0.35 0.44 -4.23 -0.32 -4.60 115.64 106.10 3i5g s THR 665 Ca 0.33 -1.94 -0.21 0.00 -1.18 0.00 0.00 61.69 58.69 3i5g s THR 665 Cb 0.18 -1.81 0.00 0.00 1.34 0.00 0.00 72.50 72.21 3i5g s THR 665 CO 0.22 -0.75 0.68 -2.28 -0.54 0.00 0.00 174.62 171.95 3i5g s HIS 666 N -3.69 3.15 0.48 3.99 2.46 -0.76 -4.88 115.29 116.05 3i5g s HIS 666 Ca 0.16 0.44 -0.06 0.00 0.47 0.00 0.00 55.06 56.07 3i5g s HIS 666 Cb 0.06 -3.20 -0.04 0.00 -0.13 0.00 0.00 32.58 29.28 3i5g s HIS 666 CO -0.02 -0.64 0.80 -1.25 -2.47 0.00 0.00 174.74 171.15 3i5g s PRO 667 N 2.81 3.55 0.01 2.88 0.04 -1.26 -1.38 135.00 141.65 3i5g s PRO 667 Ca 0.27 0.23 -0.01 0.00 0.04 0.00 0.00 61.00 61.53 3i5g s PRO 667 Cb -0.14 -2.36 -0.01 0.00 0.04 0.00 0.00 34.50 32.02 3i5g s PRO 667 CO 0.15 -0.21 -0.00 -1.01 0.04 0.00 0.00 177.00 175.96 3i5g s HIS 668 N -2.75 0.17 -0.18 0.56 3.76 -0.07 -4.90 115.29 111.87 3i5g s HIS 668 Ca 0.48 -0.34 -0.00 0.00 -0.15 0.00 0.00 55.06 55.05 3i5g s HIS 668 Cb -0.10 -0.12 0.04 0.00 1.11 0.00 0.00 32.58 33.51 3i5g s HIS 668 CO 0.45 -0.15 -0.06 -0.06 -0.85 0.00 0.00 174.74 174.07 3i5g s PHE 669 N -1.04 1.93 -0.03 1.40 0.40 -1.26 -1.21 117.98 118.17 3i5g s PHE 669 Ca -0.11 -1.28 0.00 0.00 -0.60 0.00 0.00 56.93 54.94 3i5g s PHE 669 Cb -0.07 -1.42 -0.04 0.00 0.51 0.00 0.00 43.02 42.01 3i5g s PHE 669 CO -0.01 -0.67 0.01 0.08 0.70 0.00 0.00 175.22 175.34 3i5g s VAL 670 N 1.56 4.31 -0.39 -0.44 1.01 -0.67 -2.06 120.40 123.72 3i5g s VAL 670 Ca -0.01 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3i5g s VAL 670 Cb -0.16 -2.89 0.12 0.00 0.00 0.00 0.00 36.38 33.45 3i5g s VAL 670 CO -0.08 0.45 0.18 -0.13 0.00 0.00 0.00 175.10 175.52 3i5g s ARG 671 N -1.37 1.06 0.30 2.72 1.81 -0.89 -2.32 118.95 120.27 3i5g s ARG 671 Ca 0.18 -1.65 -0.28 0.00 -1.72 0.00 0.00 55.73 52.26 3i5g s ARG 671 Cb -0.12 -2.21 -0.09 0.00 -0.45 0.00 0.00 34.95 32.08 3i5g s ARG 671 CO 0.08 -1.09 1.05 0.00 -0.68 0.00 0.00 175.30 174.66 3i5g s ILE 673 N -1.29 0.96 -0.49 0.00 1.01 -0.84 -4.16 121.20 116.39 3i5g s ILE 673 Ca 0.47 -0.47 -0.26 0.00 0.00 0.00 0.00 60.65 60.39 3i5g s ILE 673 Cb -0.28 -0.83 0.03 0.00 0.01 0.00 0.00 42.46 41.39 3i5g s ILE 673 CO 0.36 0.29 1.00 -0.63 0.00 0.00 0.00 174.94 175.96 3i5g s ILE 674 N 0.07 4.35 0.25 2.92 1.01 -1.26 -2.01 121.20 126.53 3i5g s ILE 674 Ca -0.02 0.79 -0.02 0.00 0.00 0.00 0.00 60.65 61.41 3i5g s ILE 674 Cb -0.08 -4.52 0.08 0.00 0.01 0.00 0.00 42.46 37.95 3i5g s ILE 674 CO 0.01 -0.98 1.72 1.55 0.00 0.00 0.00 174.94 177.24 3i5g h PRO 675 N 9.20 0.72 -3.27 2.79 0.13 -1.85 -3.41 132.00 136.32 3i5g h PRO 675 Ca -0.24 -0.23 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 3i5g h PRO 675 Cb 1.07 -0.06 -0.12 0.00 0.13 0.00 0.00 31.00 32.02 3i5g h PRO 675 CO 1.08 0.81 0.03 0.54 -0.23 0.00 0.00 178.00 180.22 3i5g s ASN 676 N -6.71 -0.33 0.18 1.44 2.20 -1.26 -0.54 114.94 109.91 3i5g s ASN 676 Ca -0.09 -0.26 -0.09 0.00 -0.94 0.00 0.00 52.86 51.48 3i5g s ASN 676 Cb 0.14 0.53 0.07 0.00 -2.00 0.00 0.00 41.25 39.98 3i5g s ASN 676 CO 0.81 -0.92 1.64 -0.33 -2.94 0.00 0.00 177.10 175.36 3i5g h GLU 677 N 2.23 1.08 -3.28 3.55 4.39 -1.96 -3.35 114.58 117.26 3i5g h GLU 677 Ca -0.33 -0.35 -0.78 0.00 0.34 0.00 0.00 59.36 58.24 3i5g h GLU 677 Cb 1.27 -0.10 -0.21 0.00 -0.10 0.00 0.00 28.75 29.62 3i5g h GLU 677 CO 0.43 1.05 1.49 1.28 -1.16 0.00 0.00 179.01 182.10 3i5g n LEU 678 N -4.18 6.54 0.00 1.33 4.77 -1.26 -4.96 117.00 119.24 3i5g n LEU 678 Ca 0.03 -4.88 0.00 0.00 -0.03 0.00 0.00 56.01 51.13 3i5g n LEU 678 Cb 0.35 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.05 3i5g n LEU 678 CO 0.44 1.50 0.00 0.29 -1.33 0.00 0.00 177.39 178.30 3i5g n LYS 679 N 2.82 0.00 -3.83 3.23 5.02 -1.26 -4.86 118.16 119.28 3i5g n LYS 679 Ca 0.34 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.51 3i5g n LYS 679 Cb 0.35 0.00 -0.13 0.00 -0.02 0.00 0.00 35.03 35.23 3i5g n LYS 679 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3i5g s THR 680 N 0.00 0.00 0.94 -0.18 -4.23 -1.26 -5.08 115.64 105.83 3i5g s THR 680 Ca 0.00 -0.03 -0.11 0.00 -1.18 0.00 0.00 61.69 60.37 3i5g s THR 680 Cb 0.00 -0.18 0.13 0.00 1.34 0.00 0.00 72.50 73.79 3i5g s THR 680 CO 0.00 -0.02 0.98 -2.65 -0.54 0.00 0.00 174.62 172.39 3i5g n PRO 681 N 2.95 -0.54 -0.47 3.99 -0.02 -1.26 -3.68 135.00 135.97 3i5g n PRO 681 Ca -0.13 -0.10 -0.01 0.00 -2.02 0.00 0.00 63.50 61.24 3i5g n PRO 681 Cb 0.59 -2.26 -0.01 0.00 -0.02 0.00 0.00 33.50 31.81 3i5g n PRO 681 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i5g n GLY 682 N 0.57 0.12 3.64 -1.23 0.00 -1.26 -4.92 105.19 102.11 3i5g n GLY 682 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 3i5g n GLY 682 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i5g s LEU 683 N -0.64 3.65 -0.13 0.99 2.96 -1.24 -4.73 118.68 119.54 3i5g s LEU 683 Ca 0.00 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 54.00 3i5g s LEU 683 Cb 0.00 -1.88 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 3i5g s LEU 683 CO 0.00 0.26 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.50 3i5g s ILE 684 N -0.17 2.71 -0.35 6.68 -1.09 -1.26 -4.22 121.20 123.49 3i5g s ILE 684 Ca 0.06 -0.78 -0.14 0.00 -2.23 0.00 0.00 60.65 57.56 3i5g s ILE 684 Cb -0.12 -2.12 -0.01 0.00 -1.58 0.00 0.00 42.46 38.63 3i5g s ILE 684 CO 0.02 0.53 0.30 -0.62 -1.23 0.00 0.00 174.94 173.94 3i5g s ASP 685 N 0.46 6.11 0.07 3.58 -1.08 0.30 -4.98 116.67 121.12 3i5g s ASP 685 Ca -0.12 -0.42 -0.27 0.00 -0.52 0.00 0.00 52.55 51.22 3i5g s ASP 685 Cb -0.16 -2.16 -0.17 0.00 -1.46 0.00 0.00 42.92 38.96 3i5g s ASP 685 CO 0.05 -0.31 1.63 0.00 0.52 0.00 0.00 175.17 177.06 3i5g h ALA 686 N 8.51 -0.39 -0.77 3.66 0.00 -1.85 -2.70 119.26 125.71 3i5g h ALA 686 Ca -0.30 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 3i5g h ALA 686 Cb 1.15 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.05 3i5g h ALA 686 CO 0.67 -0.69 0.37 0.00 0.00 0.00 0.00 179.25 179.61 3i5g h ALA 687 N 0.26 1.00 -0.53 0.00 0.00 -1.92 -1.74 119.26 116.33 3i5g h ALA 687 Ca -0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3i5g h ALA 687 Cb 0.34 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3i5g h ALA 687 CO 0.07 0.56 0.21 1.25 0.00 0.00 0.00 179.25 181.34 3i5g h LEU 688 N 1.09 0.73 0.25 0.00 5.85 -1.93 -1.24 115.31 120.06 3i5g h LEU 688 Ca 0.27 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3i5g h LEU 688 Cb 0.11 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.96 3i5g h LEU 688 CO -0.03 0.70 -0.12 0.58 -0.34 0.00 0.00 178.44 179.23 3i5g h VAL 689 N 0.72 0.81 -0.40 1.05 2.07 -1.34 -2.15 116.25 117.01 3i5g h VAL 689 Ca 0.18 -0.38 0.06 0.00 0.82 0.00 0.00 66.70 67.38 3i5g h VAL 689 Cb 0.19 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3i5g h VAL 689 CO -0.01 0.08 0.07 -0.07 0.02 0.00 0.00 177.57 177.66 3i5g h LEU 690 N -0.53 0.00 -0.47 2.57 3.38 -1.29 0.41 115.31 119.39 3i5g h LEU 690 Ca -0.03 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.10 3i5g h LEU 690 Cb 0.39 0.09 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 3i5g h LEU 690 CO 0.06 0.04 -0.14 -0.74 0.09 0.00 0.00 178.44 177.75 3i5g h HIS 691 N 0.20 -0.31 -0.67 1.13 2.76 -1.16 0.50 115.15 117.60 3i5g h HIS 691 Ca 0.19 0.04 -0.05 0.00 -2.20 0.00 0.00 60.37 58.36 3i5g h HIS 691 Cb 0.23 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.37 3i5g h HIS 691 CO -0.20 -0.22 0.23 1.96 -1.30 0.00 0.00 177.93 178.40 3i5g h GLN 692 N -0.02 1.02 -0.36 5.26 4.20 -0.67 -2.12 115.11 122.41 3i5g h GLN 692 Ca 0.23 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.74 3i5g h GLN 692 Cb 0.37 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3i5g h GLN 692 CO -0.50 0.85 0.21 -0.07 -0.67 0.00 0.00 178.83 178.65 3i5g h LEU 693 N 0.99 0.43 -0.28 1.46 3.38 0.12 0.88 115.31 122.29 3i5g h LEU 693 Ca 0.22 -0.02 -0.20 0.00 0.09 0.00 0.00 57.88 57.97 3i5g h LEU 693 Cb 0.25 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3i5g h LEU 693 CO -0.01 0.34 -0.88 0.03 0.09 0.00 0.00 178.44 178.01 3i5g h ARG 694 N 0.50 0.20 0.00 1.13 3.08 -0.67 -2.16 114.38 116.46 3i5g h ARG 694 Ca 0.13 -0.22 -0.15 0.00 0.07 0.00 0.00 59.98 59.81 3i5g h ARG 694 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 3i5g h ARG 694 CO -0.02 0.96 -0.82 0.00 -1.07 0.00 0.00 179.97 179.01 3i5g h ASN 696 N 0.00 0.73 0.00 0.00 2.35 0.80 -3.41 115.58 116.05 3i5g h ASN 696 Ca -0.04 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3i5g h ASN 696 Cb 1.54 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.74 3i5g h ASN 696 CO 0.08 0.52 0.00 0.61 -1.65 0.00 0.00 177.43 176.99 3i5g n GLY 697 N -1.28 0.41 0.16 2.83 0.00 -1.16 -4.96 105.19 101.19 3i5g n GLY 697 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3i5g n GLY 697 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i5g h VAL 698 N 0.00 0.85 0.00 1.61 2.07 -1.82 0.23 116.25 119.18 3i5g h VAL 698 Ca 0.00 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3i5g h VAL 698 Cb 0.00 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3i5g h VAL 698 CO 0.00 0.12 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 3i5g h LEU 699 N -0.58 0.00 0.10 2.57 3.38 -1.73 -2.30 115.31 116.75 3i5g h LEU 699 Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 3i5g h LEU 699 Cb 0.43 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.20 3i5g h LEU 699 CO 0.05 0.00 -0.82 -0.08 0.09 0.00 0.00 178.44 177.68 3i5g h GLU 700 N 0.00 0.38 -0.40 1.13 4.57 -1.63 -2.54 114.58 116.09 3i5g h GLU 700 Ca 0.00 -0.54 -0.02 0.00 -1.18 0.00 0.00 59.36 57.62 3i5g h GLU 700 Cb 0.28 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3i5g h GLU 700 CO 0.00 1.22 0.16 0.78 -1.18 0.00 0.00 179.01 180.00 3i5g h GLY 701 N -0.20 0.59 1.97 1.92 0.00 -0.17 -1.02 103.07 106.17 3i5g h GLY 701 Ca -0.13 -0.27 -0.14 0.00 0.00 0.00 0.00 47.33 46.79 3i5g h GLY 701 CO 0.16 0.26 -0.65 -2.22 0.00 0.00 0.00 176.54 174.09 3i5g h ILE 702 N 0.56 1.46 -0.70 2.60 5.03 -1.47 -1.42 117.51 123.57 3i5g h ILE 702 Ca 0.14 -2.22 0.01 0.00 -0.12 0.00 0.00 64.86 62.68 3i5g h ILE 702 Cb 0.11 2.19 -0.04 0.00 -3.03 0.00 0.00 36.82 36.05 3i5g h ILE 702 CO -0.02 0.64 0.46 -0.09 -0.68 0.00 0.00 178.15 178.46 3i5g h ARG 703 N 0.02 0.89 0.01 2.37 2.43 -0.75 -1.39 114.38 117.97 3i5g h ARG 703 Ca -0.01 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.91 3i5g h ARG 703 Cb 1.16 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 3i5g h ARG 703 CO 0.09 0.59 -0.90 0.82 -1.51 0.00 0.00 179.97 179.06 3i5g h ILE 704 N 0.92 1.54 -0.36 1.20 2.04 -0.90 -3.19 117.51 118.75 3i5g h ILE 704 Ca 0.26 -2.76 -0.02 0.00 1.00 0.00 0.00 64.86 63.34 3i5g h ILE 704 Cb -0.06 2.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 3i5g h ILE 704 CO -0.06 0.80 0.14 0.00 0.00 0.00 0.00 178.15 179.03 3i5g h ARG 706 N 0.43 0.56 0.00 0.00 3.08 -1.28 -0.23 114.38 116.95 3i5g h ARG 706 Ca 0.12 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.14 3i5g h ARG 706 Cb 0.19 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.12 3i5g h ARG 706 CO -0.01 0.37 0.00 0.36 -1.07 0.00 0.00 179.97 179.62 3i5g n LYS 707 N -4.74 0.60 0.00 0.04 2.85 -0.96 -4.80 118.16 111.15 3i5g n LYS 707 Ca 0.24 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.53 3i5g n LYS 707 Cb 0.71 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.59 3i5g n LYS 707 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i5g n GLY 708 N 0.58 5.36 3.05 2.58 0.00 -0.10 -5.08 105.19 111.58 3i5g n GLY 708 Ca 0.15 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.46 3i5g n GLY 708 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i5g s PHE 709 N 2.75 3.77 0.21 1.61 0.40 -1.26 -4.69 117.98 120.77 3i5g s PHE 709 Ca 0.00 -3.09 -0.08 0.00 -0.60 0.00 0.00 56.93 53.16 3i5g s PHE 709 Cb 0.00 -3.10 0.15 0.00 0.51 0.00 0.00 43.02 40.58 3i5g s PHE 709 CO 0.00 -0.70 1.77 -1.00 0.70 0.00 0.00 175.22 175.99 3i5g h PRO 710 N 5.94 1.19 -6.17 0.24 0.13 -1.68 -3.43 132.00 128.22 3i5g h PRO 710 Ca 0.14 -0.23 -0.55 0.00 -0.87 0.00 0.00 66.00 64.49 3i5g h PRO 710 Cb 0.81 -0.19 -0.04 0.00 0.13 0.00 0.00 31.00 31.71 3i5g h PRO 710 CO 0.81 0.98 0.17 -0.80 -0.23 0.00 0.00 178.00 178.93 3i5g s ASN 711 N -6.38 7.12 -0.10 1.44 0.01 -1.12 -4.75 114.94 111.16 3i5g s ASN 711 Ca -0.12 1.35 -0.03 0.00 -0.71 0.00 0.00 52.86 53.34 3i5g s ASN 711 Cb 0.16 -2.46 0.05 0.00 0.41 0.00 0.00 41.25 39.40 3i5g s ASN 711 CO 0.84 -0.14 0.10 -0.13 -1.51 0.00 0.00 177.10 176.26 3i5g s ARG 712 N 0.75 0.00 -0.07 -0.60 0.52 -1.26 0.03 118.95 118.32 3i5g s ARG 712 Ca 0.42 0.25 0.03 0.00 -0.52 0.00 0.00 55.73 55.90 3i5g s ARG 712 Cb -0.19 -0.95 -0.02 0.00 0.52 0.00 0.00 34.95 34.31 3i5g s ARG 712 CO 0.21 -0.46 -0.14 0.42 0.02 0.00 0.00 175.30 175.35 3i5g s ILE 713 N 2.19 3.07 0.31 1.52 1.09 -0.91 -4.92 121.20 123.56 3i5g s ILE 713 Ca 0.04 -0.71 -0.29 0.00 -1.10 0.00 0.00 60.65 58.59 3i5g s ILE 713 Cb -0.14 -2.22 -0.10 0.00 -1.06 0.00 0.00 42.46 38.95 3i5g s ILE 713 CO -0.06 0.58 1.21 -0.63 -0.10 0.00 0.00 174.94 175.94 3i5g s ILE 714 N -0.51 3.07 0.28 2.92 1.01 -1.26 -1.32 121.20 125.39 3i5g s ILE 714 Ca 0.07 1.07 0.01 0.00 0.00 0.00 0.00 60.65 61.80 3i5g s ILE 714 Cb -0.12 -3.68 0.30 0.00 0.01 0.00 0.00 42.46 38.98 3i5g s ILE 714 CO 0.02 0.25 1.65 1.88 0.00 0.00 0.00 174.94 178.74 3i5g h TYR 715 N 3.53 0.34 -0.35 3.97 0.99 -1.73 -0.85 116.97 122.87 3i5g h TYR 715 Ca -0.48 0.05 0.02 0.00 2.00 0.00 0.00 58.73 60.32 3i5g h TYR 715 Cb 1.22 -0.01 -0.02 0.00 1.00 0.00 0.00 36.73 38.91 3i5g h TYR 715 CO 0.57 -0.19 0.20 0.66 -0.00 0.00 0.00 178.16 179.40 3i5g h SER 716 N 0.22 0.32 -0.14 3.88 4.64 -1.87 0.73 113.55 121.33 3i5g h SER 716 Ca 0.53 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.84 3i5g h SER 716 Cb 1.06 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 3i5g h SER 716 CO -0.64 0.23 0.06 -0.33 -0.87 0.00 0.00 176.83 175.29 3i5g h GLU 717 N 0.41 0.27 -0.09 4.77 5.08 -1.55 -1.08 114.58 122.39 3i5g h GLU 717 Ca 0.14 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.37 3i5g h GLU 717 Cb 0.01 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.21 3i5g h GLU 717 CO -0.07 0.25 -0.32 0.35 -1.00 0.00 0.00 179.01 178.22 3i5g h PHE 718 N 0.27 0.50 -0.32 4.33 3.57 -0.64 -2.58 116.94 122.08 3i5g h PHE 718 Ca 0.07 -0.21 0.04 0.00 3.53 0.00 0.00 57.97 61.40 3i5g h PHE 718 Cb 0.09 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3i5g h PHE 718 CO 0.00 0.93 0.09 -0.22 -2.23 0.00 0.00 178.31 176.89 3i5g h LYS 719 N -0.07 0.22 0.00 1.11 3.64 -0.51 0.79 116.57 121.74 3i5g h LYS 719 Ca -0.01 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 3i5g h LYS 719 Cb 0.95 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 3i5g h LYS 719 CO 0.07 0.14 -0.23 0.37 -2.27 0.00 0.00 179.45 177.53 3i5g h GLN 720 N 0.22 0.00 0.02 1.90 4.15 -1.25 -2.09 115.11 118.06 3i5g h GLN 720 Ca 0.14 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.25 3i5g h GLN 720 Cb 0.13 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.77 3i5g h GLN 720 CO -0.16 0.23 -1.86 -2.13 -1.93 0.00 0.00 178.83 172.98 3i5g n ARG 721 N -3.57 0.66 0.00 1.69 3.00 -0.90 -4.64 116.66 112.91 3i5g n ARG 721 Ca -0.01 0.25 0.01 0.00 -0.00 0.00 0.00 57.85 58.10 3i5g n ARG 721 Cb 0.38 -1.74 0.00 0.00 0.00 0.00 0.00 32.46 31.10 3i5g n ARG 721 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3i5g n TYR 722 N -3.09 0.00 -0.42 -0.14 4.02 0.22 -4.67 117.16 113.08 3i5g n TYR 722 Ca -0.22 0.00 0.35 0.00 -0.01 0.00 0.00 57.90 58.02 3i5g n TYR 722 Cb 1.06 0.00 0.65 0.00 -0.02 0.00 0.00 39.34 41.04 3i5g n TYR 722 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3i5g h SER 723 N 0.17 0.22 0.00 7.72 0.02 -1.52 1.27 113.55 121.43 3i5g h SER 723 Ca 0.00 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3i5g h SER 723 Cb 0.04 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3i5g h SER 723 CO 0.00 -0.06 0.01 0.00 -1.14 0.00 0.00 176.83 175.65 3i5g n ILE 724 N -4.49 1.49 0.65 3.27 3.06 -1.26 -0.70 119.36 121.37 3i5g n ILE 724 Ca 0.33 0.62 0.12 0.00 -2.50 0.00 0.00 62.75 61.32 3i5g n ILE 724 Cb 1.32 -1.62 0.24 0.00 0.54 0.00 0.00 39.64 40.12 3i5g n ILE 724 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 3i5g n LEU 725 N -1.86 0.67 -2.78 9.51 4.77 0.44 -4.43 117.00 123.31 3i5g n LEU 725 Ca -0.01 0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 56.15 3i5g n LEU 725 Cb 0.03 -0.23 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 3i5g n LEU 725 CO 0.05 -0.05 0.25 0.00 -1.33 0.00 0.00 177.39 176.30 3i5g n ALA 726 N -1.77 -0.64 -1.17 -1.18 0.00 0.12 -4.99 120.51 110.88 3i5g n ALA 726 Ca 0.04 -1.64 -0.33 0.00 0.00 0.00 0.00 53.44 51.51 3i5g n ALA 726 Cb 0.42 -1.17 0.11 0.00 0.00 0.00 0.00 19.45 18.81 3i5g n ALA 726 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i5g s PRO 727 N 0.12 1.82 0.16 0.00 0.02 -0.82 -4.92 135.00 131.38 3i5g s PRO 727 Ca 0.26 1.68 -0.15 0.00 0.02 0.00 0.00 61.00 62.81 3i5g s PRO 727 Cb 0.28 -1.80 0.02 0.00 0.02 0.00 0.00 34.50 33.02 3i5g s PRO 727 CO -0.10 -2.06 0.42 0.54 -0.33 0.00 0.00 177.00 175.47 3i5g s ASN 728 N -2.28 -0.17 0.51 2.53 2.20 -1.26 -5.06 114.94 111.41 3i5g s ASN 728 Ca 0.72 -0.51 0.33 0.00 -0.94 0.00 0.00 52.86 52.46 3i5g s ASN 728 Cb -0.27 0.50 1.47 0.00 -2.00 0.00 0.00 41.25 40.95 3i5g s ASN 728 CO 0.50 -0.94 1.99 0.00 -2.94 0.00 0.00 177.10 175.70 3i5g h ALA 729 N 2.35 1.00 -2.35 3.54 0.00 -2.05 -3.44 119.26 118.32 3i5g h ALA 729 Ca -0.31 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.06 3i5g h ALA 729 Cb 1.25 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.06 3i5g h ALA 729 CO 0.43 0.00 1.22 0.28 0.00 0.00 0.00 179.25 181.18 3i5g n VAL 730 N -2.91 0.73 -1.65 0.00 0.31 -1.26 -4.86 118.33 108.70 3i5g n VAL 730 Ca 0.00 -0.13 -0.49 0.00 -0.01 0.00 0.00 64.34 63.71 3i5g n VAL 730 Cb 0.24 -2.28 -0.05 0.00 -0.91 0.00 0.00 33.84 30.85 3i5g n VAL 730 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3i5g n PRO 731 N 7.34 1.79 -0.33 5.55 -0.04 -1.26 -4.80 135.00 143.24 3i5g n PRO 731 Ca 0.20 0.65 0.31 0.00 -0.04 0.00 0.00 63.50 64.62 3i5g n PRO 731 Cb 0.40 -2.38 0.56 0.00 -0.04 0.00 0.00 33.50 32.04 3i5g n PRO 731 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3i5g n SER 732 N 3.54 0.29 0.00 3.54 7.64 -1.26 -0.74 113.62 126.63 3i5g n SER 732 Ca 0.18 1.48 0.11 0.00 1.01 0.00 0.00 58.87 61.64 3i5g n SER 732 Cb 0.25 -0.72 0.55 0.00 -1.01 0.00 0.00 64.21 63.28 3i5g n SER 732 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i5g n GLY 733 N -1.29 -0.98 0.01 0.23 0.00 -1.26 -3.12 105.19 98.77 3i5g n GLY 733 Ca 0.36 -0.10 0.05 0.00 0.00 0.00 0.00 46.02 46.32 3i5g n GLY 733 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i5g n PHE 734 N -1.27 0.00 -2.13 1.61 0.99 0.08 -5.00 117.46 111.74 3i5g n PHE 734 Ca 0.10 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.13 3i5g n PHE 734 Cb 0.17 -0.25 -0.03 0.00 -1.00 0.00 0.00 39.48 38.36 3i5g n PHE 734 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3i5g s ALA 735 N -2.71 3.62 0.12 4.37 0.00 -1.18 -4.99 121.76 120.98 3i5g s ALA 735 Ca -0.04 1.04 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 3i5g s ALA 735 Cb 0.07 -3.61 -0.07 0.00 0.00 0.00 0.00 23.12 19.51 3i5g s ALA 735 CO 0.44 -0.89 1.18 0.34 0.00 0.00 0.00 175.76 176.83 3i5g s ASP 736 N 1.81 7.12 0.18 0.00 -1.08 -1.26 -4.94 116.67 118.49 3i5g s ASP 736 Ca 0.67 2.08 -0.13 0.00 -0.52 0.00 0.00 52.55 54.65 3i5g s ASP 736 Cb -0.35 -2.59 0.16 0.00 -1.46 0.00 0.00 42.92 38.68 3i5g s ASP 736 CO 0.29 -0.39 1.75 1.23 0.52 0.00 0.00 175.17 178.56 3i5g h GLY 737 N 6.07 0.64 0.83 2.66 0.00 -1.94 -0.52 103.07 110.82 3i5g h GLY 737 Ca -0.43 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 3i5g h GLY 737 CO 0.78 0.01 0.02 1.70 0.00 0.00 0.00 176.54 179.05 3i5g h LYS 738 N 0.35 0.11 -0.61 4.80 3.64 -1.92 0.33 116.57 123.26 3i5g h LYS 738 Ca 0.23 -0.02 0.12 0.00 -1.27 0.00 0.00 60.65 59.71 3i5g h LYS 738 Cb 0.24 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.95 3i5g h LYS 738 CO -0.24 0.27 0.12 0.28 -2.27 0.00 0.00 179.45 177.62 3i5g h VAL 739 N -0.07 0.61 -0.23 2.00 2.07 -1.89 0.17 116.25 118.92 3i5g h VAL 739 Ca 0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3i5g h VAL 739 Cb 0.21 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3i5g h VAL 739 CO -0.00 0.04 0.10 0.58 0.02 0.00 0.00 177.57 178.31 3i5g h VAL 740 N 0.24 1.15 -0.51 2.57 2.07 -0.76 -2.42 116.25 118.60 3i5g h VAL 740 Ca 0.32 -0.46 0.05 0.00 0.82 0.00 0.00 66.70 67.44 3i5g h VAL 740 Cb 0.50 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 3i5g h VAL 740 CO -0.43 0.15 0.24 0.74 0.02 0.00 0.00 177.57 178.30 3i5g h THR 741 N 0.22 0.93 -0.76 2.57 2.02 -0.16 0.84 112.91 118.58 3i5g h THR 741 Ca 0.08 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.10 3i5g h THR 741 Cb 0.15 0.42 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 3i5g h THR 741 CO -0.01 0.09 0.50 -0.78 0.37 0.00 0.00 175.52 175.69 3i5g h ASP 742 N 0.47 0.86 0.95 4.18 3.58 -0.87 -1.70 116.42 123.89 3i5g h ASP 742 Ca 0.23 -0.02 -0.17 0.00 0.42 0.00 0.00 57.03 57.49 3i5g h ASP 742 Cb 0.16 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.97 3i5g h ASP 742 CO -0.17 0.62 -0.81 0.11 -2.88 0.00 0.00 179.24 176.10 3i5g h LYS 743 N 1.02 0.00 -0.34 0.28 1.57 -0.89 -2.25 116.57 115.95 3i5g h LYS 743 Ca 0.28 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.91 3i5g h LYS 743 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3i5g h LYS 743 CO -0.07 0.81 -0.40 0.00 -0.57 0.00 0.00 179.45 179.22 3i5g h ALA 744 N 1.19 0.65 -0.09 3.86 0.00 -0.57 -1.87 119.26 122.43 3i5g h ALA 744 Ca -0.01 -0.46 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3i5g h ALA 744 Cb 1.50 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 3i5g h ALA 744 CO 0.11 0.67 -0.10 -0.07 0.00 0.00 0.00 179.25 179.86 3i5g h LEU 745 N 0.67 0.24 -0.69 0.00 3.38 -1.29 -2.30 115.31 115.32 3i5g h LEU 745 Ca 0.05 -0.49 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 3i5g h LEU 745 Cb 0.97 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 3i5g h LEU 745 CO 0.09 0.68 -0.30 0.77 0.09 0.00 0.00 178.44 179.78 3i5g h SER 746 N -0.20 0.70 0.35 -0.43 4.64 -1.48 -1.66 113.55 115.47 3i5g h SER 746 Ca 0.01 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 3i5g h SER 746 Cb 0.62 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3i5g h SER 746 CO 0.02 0.96 0.00 0.00 -0.87 0.00 0.00 176.83 176.94 3i5g h ALA 747 N 1.09 1.00 -0.02 5.18 0.00 -1.31 0.99 119.26 126.19 3i5g h ALA 747 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i5g h ALA 747 Cb 0.80 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3i5g h ALA 747 CO 0.07 0.00 -0.07 1.28 0.00 0.00 0.00 179.25 180.52 3i5g n LEU 748 N -2.55 2.15 -4.03 0.00 4.77 -0.67 -4.93 117.00 111.75 3i5g n LEU 748 Ca -0.01 -0.72 -0.31 0.00 -0.03 0.00 0.00 56.01 54.95 3i5g n LEU 748 Cb 0.13 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.21 3i5g n LEU 748 CO 0.17 0.36 -0.03 0.00 -1.33 0.00 0.00 177.39 176.57 3i5g n GLN 749 N 0.58 -4.13 -2.61 3.23 6.02 0.34 -4.89 117.38 115.92 3i5g n GLN 749 Ca 0.15 0.47 -0.42 0.00 -0.01 0.00 0.00 57.00 57.20 3i5g n GLN 749 Cb 0.47 -5.12 -0.03 0.00 1.02 0.00 0.00 30.24 26.58 3i5g n GLN 749 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3i5g s LEU 750 N -7.17 4.37 -0.35 1.08 2.96 -1.03 -4.93 118.68 113.60 3i5g s LEU 750 Ca 0.51 1.79 -0.41 0.00 -0.22 0.00 0.00 54.13 55.80 3i5g s LEU 750 Cb -0.27 -3.57 -0.16 0.00 0.50 0.00 0.00 46.19 42.69 3i5g s LEU 750 CO 0.88 -0.33 1.85 -0.67 -1.32 0.00 0.00 176.35 176.76 3i5g n ASP 751 N 3.89 1.97 0.00 3.68 -0.08 -1.26 -4.76 116.55 119.98 3i5g n ASP 751 Ca 0.07 0.93 0.00 0.00 -1.51 0.00 0.00 54.79 54.28 3i5g n ASP 751 Cb 0.49 -1.09 0.00 0.00 2.34 0.00 0.00 41.12 42.86 3i5g n ASP 751 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3i5g n PRO 752 N 5.96 0.00 0.11 -0.67 -0.04 -1.26 0.20 135.00 139.30 3i5g n PRO 752 Ca 0.33 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 64.09 3i5g n PRO 752 Cb 0.10 -1.56 0.03 0.00 -0.04 0.00 0.00 33.50 32.03 3i5g n PRO 752 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 3i5g h ASN 753 N 0.00 0.00 -0.01 3.54 2.35 -2.02 -3.35 115.58 116.10 3i5g h ASN 753 Ca 0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 3i5g h ASN 753 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3i5g h ASN 753 CO 0.00 0.01 0.00 -0.62 -1.65 0.00 0.00 177.43 175.17 3i5g n GLU 754 N -2.64 1.27 -3.77 0.81 -0.58 0.13 -4.93 120.64 110.94 3i5g n GLU 754 Ca 0.01 -0.40 -0.04 0.00 -0.42 0.00 0.00 57.16 56.31 3i5g n GLU 754 Cb 0.53 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.90 3i5g n GLU 754 CO 0.00 0.00 0.00 1.52 -0.48 0.00 0.00 177.13 178.17 3i5g s TYR 755 N -2.00 -0.14 -0.18 -0.32 -0.85 -1.25 -1.86 117.35 110.74 3i5g s TYR 755 Ca 0.44 -0.18 -0.09 0.00 -0.52 0.00 0.00 57.07 56.72 3i5g s TYR 755 Cb 0.22 0.65 0.07 0.00 0.38 0.00 0.00 41.96 43.27 3i5g s TYR 755 CO 0.36 -0.89 0.42 1.03 -1.52 0.00 0.00 175.55 174.95 3i5g s ARG 756 N -3.38 0.38 -0.09 -3.49 0.52 -0.18 -4.91 118.95 107.80 3i5g s ARG 756 Ca 0.12 0.89 -0.30 0.00 -0.52 0.00 0.00 55.73 55.92 3i5g s ARG 756 Cb -0.02 0.10 -0.02 0.00 0.52 0.00 0.00 34.95 35.53 3i5g s ARG 756 CO 0.03 -0.19 1.02 -0.51 0.02 0.00 0.00 175.30 175.66 3i5g s LEU 757 N 1.82 4.26 0.00 2.53 1.43 -1.26 -0.00 118.68 127.47 3i5g s LEU 757 Ca -0.07 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 54.60 3i5g s LEU 757 Cb -0.10 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.57 3i5g s LEU 757 CO -0.13 -0.43 0.00 0.61 0.23 0.00 0.00 176.35 176.63 3i5g n GLY 758 N 3.08 2.57 0.19 -3.19 0.00 0.29 -4.90 105.19 103.22 3i5g n GLY 758 Ca 0.09 -2.10 0.13 0.00 0.00 0.00 0.00 46.02 44.13 3i5g n GLY 758 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3i5g h ASN 759 N 0.00 0.00 0.00 1.61 2.35 -1.83 -3.38 115.58 114.33 3i5g h ASN 759 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3i5g h ASN 759 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3i5g h ASN 759 CO 0.00 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.13 3i5g n THR 760 N -2.79 0.00 -4.10 2.81 -2.24 -1.26 -5.06 114.28 101.63 3i5g n THR 760 Ca 0.04 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.74 3i5g n THR 760 Cb 0.46 0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 69.01 3i5g n THR 760 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i5g s LYS 761 N 0.00 0.68 -0.13 -0.78 1.02 -1.26 -1.91 119.74 117.36 3i5g s LYS 761 Ca 0.00 -1.27 -0.03 0.00 0.02 0.00 0.00 55.97 54.69 3i5g s LYS 761 Cb 0.00 0.21 -0.03 0.00 -0.52 0.00 0.00 37.83 37.48 3i5g s LYS 761 CO 0.00 -0.14 -0.01 0.54 -0.92 0.00 0.00 175.35 174.82 3i5g s VAL 762 N -3.94 4.14 -0.23 3.17 0.11 -0.44 0.11 120.40 123.32 3i5g s VAL 762 Ca 0.10 -0.29 -0.12 0.00 -2.93 0.00 0.00 61.98 58.75 3i5g s VAL 762 Cb 0.08 -2.79 -0.05 0.00 -1.53 0.00 0.00 36.38 32.10 3i5g s VAL 762 CO -0.08 0.54 0.21 -0.36 -3.33 0.00 0.00 175.10 172.08 3i5g s PHE 763 N -0.19 3.33 0.19 1.54 2.99 1.00 -2.13 117.98 124.71 3i5g s PHE 763 Ca 0.04 0.32 0.07 0.00 0.00 0.00 0.00 56.93 57.36 3i5g s PHE 763 Cb -0.13 -2.32 -0.04 0.00 0.00 0.00 0.00 43.02 40.53 3i5g s PHE 763 CO 0.02 0.06 0.04 -0.06 -0.00 0.00 0.00 175.22 175.28 3i5g s PHE 764 N 1.09 2.91 0.18 0.36 2.99 0.10 -1.01 117.98 124.61 3i5g s PHE 764 Ca 0.10 -0.12 0.03 0.00 0.00 0.00 0.00 56.93 56.94 3i5g s PHE 764 Cb -0.14 -1.38 0.03 0.00 0.00 0.00 0.00 43.02 41.53 3i5g s PHE 764 CO 0.05 0.53 0.25 1.63 -0.00 0.00 0.00 175.22 177.68 3i5g n LYS 765 N -0.35 0.88 -1.72 0.44 5.02 -0.78 -2.78 118.16 118.88 3i5g n LYS 765 Ca -0.09 -0.97 -0.43 0.00 -2.02 0.00 0.00 58.31 54.80 3i5g n LYS 765 Cb 0.56 -0.08 -0.03 0.00 -0.02 0.00 0.00 35.03 35.47 3i5g n LYS 765 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i5g n ALA 766 N -2.79 2.38 0.00 7.82 0.00 -1.26 -3.23 120.51 123.43 3i5g n ALA 766 Ca -0.04 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3i5g n ALA 766 Cb 0.19 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.18 3i5g n ALA 766 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i5g n GLY 767 N 3.12 2.89 0.16 0.00 0.00 0.88 -4.90 105.19 107.35 3i5g n GLY 767 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 3i5g n GLY 767 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3i5g h VAL 768 N 0.00 0.70 0.00 1.61 2.07 -1.83 0.25 116.25 119.04 3i5g h VAL 768 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3i5g h VAL 768 Cb 0.00 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3i5g h VAL 768 CO 0.00 0.00 -0.07 -0.07 0.02 0.00 0.00 177.57 177.45 3i5g h LEU 769 N -0.18 0.00 -0.59 2.57 3.38 -1.90 -0.72 115.31 117.86 3i5g h LEU 769 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3i5g h LEU 769 Cb 0.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3i5g h LEU 769 CO -0.14 0.07 0.19 1.23 0.09 0.00 0.00 178.44 179.87 3i5g h GLY 770 N 0.44 0.99 0.64 0.83 0.00 -1.34 -0.04 103.07 104.60 3i5g h GLY 770 Ca -0.00 -0.59 -0.02 0.00 0.00 0.00 0.00 47.33 46.72 3i5g h GLY 770 CO 0.01 0.55 -0.19 1.98 0.00 0.00 0.00 176.54 178.89 3i5g h MET 771 N 0.84 -0.50 -0.68 4.80 1.85 -0.11 -3.09 114.93 118.04 3i5g h MET 771 Ca 0.19 0.03 0.15 0.00 -0.61 0.00 0.00 59.70 59.46 3i5g h MET 771 Cb 0.29 0.11 -0.12 0.00 0.43 0.00 0.00 31.60 32.31 3i5g h MET 771 CO -0.01 -0.19 -0.04 -0.07 -0.40 0.00 0.00 176.91 176.21 3i5g h LEU 772 N -0.89 -0.38 -1.05 3.39 3.38 -1.04 -0.08 115.31 118.63 3i5g h LEU 772 Ca -0.05 0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3i5g h LEU 772 Cb 0.55 0.33 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 3i5g h LEU 772 CO 0.09 -0.17 0.48 -0.08 0.09 0.00 0.00 178.44 178.85 3i5g h GLU 773 N 0.08 1.13 0.00 1.13 4.57 -1.07 -1.62 114.58 118.80 3i5g h GLU 773 Ca 0.36 -0.11 -0.06 0.00 -1.18 0.00 0.00 59.36 58.36 3i5g h GLU 773 Cb 0.59 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3i5g h GLU 773 CO -0.62 0.81 -0.30 0.22 -1.18 0.00 0.00 179.01 177.94 3i5g h ASP 774 N 1.15 0.00 0.36 1.04 3.58 -0.96 -2.09 116.42 119.49 3i5g h ASP 774 Ca 0.29 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.42 3i5g h ASP 774 Cb -0.01 0.00 0.02 0.00 1.72 0.00 0.00 39.33 41.06 3i5g h ASP 774 CO -0.05 0.30 -1.48 0.24 -2.88 0.00 0.00 179.24 175.37 3i5g h MET 775 N 0.00 0.42 -0.38 0.28 2.86 -0.71 -2.89 114.93 114.51 3i5g h MET 775 Ca -0.00 -0.72 0.00 0.00 -2.06 0.00 0.00 59.70 56.92 3i5g h MET 775 Cb 0.69 0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 3i5g h MET 775 CO 0.04 1.33 0.24 -0.09 1.06 0.00 0.00 176.91 179.49 3i5g h ARG 776 N 0.12 0.51 -0.38 1.72 2.43 -1.11 0.50 114.38 118.16 3i5g h ARG 776 Ca -0.24 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 58.83 3i5g h ARG 776 Cb 2.10 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 31.52 3i5g h ARG 776 CO 0.23 0.36 -0.03 0.22 -1.51 0.00 0.00 179.97 179.24 3i5g h ASP 777 N 0.50 0.59 0.41 -3.80 3.58 -1.48 0.16 116.42 116.38 3i5g h ASP 777 Ca 0.14 -0.13 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 3i5g h ASP 777 Cb -0.02 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.88 3i5g h ASP 777 CO -0.03 0.68 -0.20 -0.08 -2.88 0.00 0.00 179.24 176.73 3i5g h GLU 778 N 0.58 -0.53 -0.79 0.28 4.57 -1.12 -2.67 114.58 114.90 3i5g h GLU 778 Ca 0.12 0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3i5g h GLU 778 Cb 0.41 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.08 3i5g h GLU 778 CO 0.02 -0.22 0.48 -0.09 -1.18 0.00 0.00 179.01 178.01 3i5g h ARG 779 N -0.87 1.08 -0.62 1.92 9.65 0.14 -2.09 114.38 123.60 3i5g h ARG 779 Ca -0.06 -0.10 -0.00 0.00 -1.10 0.00 0.00 59.98 58.72 3i5g h ARG 779 Cb 0.55 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 3i5g h ARG 779 CO 0.09 0.76 0.38 1.25 2.80 0.00 0.00 179.97 185.25 3i5g h LEU 780 N 1.09 0.73 -0.43 3.80 5.85 -0.72 0.65 115.31 126.27 3i5g h LEU 780 Ca 0.28 -0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.81 3i5g h LEU 780 Cb -0.04 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3i5g h LEU 780 CO -0.05 0.55 -0.43 -1.28 -0.34 0.00 0.00 178.44 176.89 3i5g h SER 781 N 0.84 0.90 -0.27 1.25 0.87 -1.05 -2.49 113.55 113.60 3i5g h SER 781 Ca 0.22 -0.43 -0.08 0.00 -1.23 0.00 0.00 61.79 60.27 3i5g h SER 781 Cb -0.05 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 3i5g h SER 781 CO -0.04 1.20 -0.15 0.50 -0.53 0.00 0.00 176.83 177.80 3i5g h LYS 782 N 0.67 0.57 -0.49 2.24 3.64 -0.71 -2.94 116.57 119.56 3i5g h LYS 782 Ca 0.05 -0.26 0.05 0.00 -1.27 0.00 0.00 60.65 59.22 3i5g h LYS 782 Cb 1.01 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 3i5g h LYS 782 CO 0.10 0.83 0.33 0.82 -2.27 0.00 0.00 179.45 179.26 3i5g h ILE 783 N 0.30 0.99 -0.24 2.00 2.04 -0.87 -1.79 117.51 119.94 3i5g h ILE 783 Ca 0.06 -0.15 -0.15 0.00 1.00 0.00 0.00 64.86 65.61 3i5g h ILE 783 Cb 0.68 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3i5g h ILE 783 CO 0.04 0.08 -0.48 0.40 0.00 0.00 0.00 178.15 178.20 3i5g h ILE 784 N 0.45 1.30 -0.54 -0.67 2.04 -1.34 -2.13 117.51 116.62 3i5g h ILE 784 Ca 0.21 -1.68 -0.07 0.00 1.00 0.00 0.00 64.86 64.32 3i5g h ILE 784 Cb 0.27 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3i5g h ILE 784 CO -0.05 0.53 0.04 0.28 0.00 0.00 0.00 178.15 178.95 3i5g h SER 785 N 0.51 0.84 -0.73 1.72 0.02 -1.19 -1.61 113.55 113.11 3i5g h SER 785 Ca 0.03 -0.20 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 3i5g h SER 785 Cb 1.02 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 3i5g h SER 785 CO 0.10 0.88 0.21 0.24 -1.14 0.00 0.00 176.83 177.11 3i5g h MET 786 N 0.83 1.15 -0.60 3.45 2.86 -1.13 -0.05 114.93 121.44 3i5g h MET 786 Ca 0.16 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 3i5g h MET 786 Cb 0.43 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3i5g h MET 786 CO 0.02 0.99 0.06 0.35 1.06 0.00 0.00 176.91 179.38 3i5g h PHE 787 N 1.10 1.10 0.00 -0.22 3.57 -1.07 -0.63 116.94 120.77 3i5g h PHE 787 Ca 0.23 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 3i5g h PHE 787 Cb 0.34 -0.29 -0.00 0.00 2.79 0.00 0.00 35.95 38.78 3i5g h PHE 787 CO 0.03 0.96 -0.14 1.96 -2.23 0.00 0.00 178.31 178.89 3i5g h GLN 788 N 0.92 0.00 0.03 1.11 4.20 -0.91 -1.90 115.11 118.55 3i5g h GLN 788 Ca 0.18 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3i5g h GLN 788 Cb 0.48 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 3i5g h GLN 788 CO 0.02 0.14 -0.01 0.00 -0.67 0.00 0.00 178.83 178.30 3i5g h ALA 789 N 1.86 -0.04 -0.06 3.87 0.00 0.42 -1.79 119.26 123.52 3i5g h ALA 789 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3i5g h ALA 789 Cb 0.27 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i5g h ALA 789 CO 0.02 -0.35 0.06 0.45 0.00 0.00 0.00 179.25 179.43 3i5g h HIS 790 N -0.39 0.00 0.18 0.00 3.86 -0.45 0.16 115.15 118.51 3i5g h HIS 790 Ca -0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 3i5g h HIS 790 Cb 0.36 0.00 0.03 0.00 1.06 0.00 0.00 27.41 28.86 3i5g h HIS 790 CO 0.04 0.00 -1.19 0.82 0.86 0.00 0.00 177.93 178.47 3i5g h ILE 791 N 0.00 1.35 -0.90 2.45 2.04 -1.29 -1.03 117.51 120.13 3i5g h ILE 791 Ca 0.03 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.34 3i5g h ILE 791 Cb 0.15 2.97 -0.04 0.00 -0.74 0.00 0.00 36.82 39.16 3i5g h ILE 791 CO -0.00 0.76 0.56 0.03 0.00 0.00 0.00 178.15 179.50 3i5g h ARG 792 N 0.03 1.21 0.27 2.37 3.08 -0.48 -0.00 114.38 120.85 3i5g h ARG 792 Ca -0.20 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 59.74 3i5g h ARG 792 Cb 1.91 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 31.71 3i5g h ARG 792 CO 0.23 0.83 -0.13 0.78 -1.07 0.00 0.00 179.97 180.60 3i5g h GLY 793 N 1.24 -0.38 0.38 0.04 0.00 -0.62 -2.21 103.07 101.53 3i5g h GLY 793 Ca 0.33 0.14 0.07 0.00 0.00 0.00 0.00 47.33 47.87 3i5g h GLY 793 CO -0.06 -0.14 0.01 -1.82 0.00 0.00 0.00 176.54 174.53 3i5g h TYR 794 N -0.45 -0.00 -0.26 5.60 -0.00 -0.70 0.47 116.97 121.62 3i5g h TYR 794 Ca -0.04 0.03 0.01 0.00 -0.00 0.00 0.00 58.73 58.74 3i5g h TYR 794 Cb 0.34 0.06 -0.02 0.00 -0.00 0.00 0.00 36.73 37.11 3i5g h TYR 794 CO -0.03 -0.07 0.14 -0.07 -0.00 0.00 0.00 178.16 178.13 3i5g h LEU 795 N 0.12 0.22 -0.46 2.82 3.38 -0.94 -2.11 115.31 118.34 3i5g h LEU 795 Ca 0.19 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3i5g h LEU 795 Cb 0.27 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3i5g h LEU 795 CO -0.32 0.16 0.02 -0.03 0.09 0.00 0.00 178.44 178.37 3i5g h MET 796 N 0.29 0.79 0.00 1.13 4.05 -1.01 -1.06 114.93 119.12 3i5g h MET 796 Ca 0.10 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.28 3i5g h MET 796 Cb 0.02 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 3i5g h MET 796 CO -0.06 0.84 -0.01 -0.09 0.23 0.00 0.00 176.91 177.82 3i5g h ARG 797 N 0.64 0.00 0.12 0.39 2.43 -0.77 0.21 114.38 117.41 3i5g h ARG 797 Ca 0.13 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.96 3i5g h ARG 797 Cb 0.47 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3i5g h ARG 797 CO 0.02 0.01 -1.81 -0.22 -1.51 0.00 0.00 179.97 176.46 3i5g h LYS 798 N 0.00 0.26 0.00 0.20 3.64 -1.03 -3.26 116.57 116.39 3i5g h LYS 798 Ca -0.00 -0.45 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 3i5g h LYS 798 Cb 0.24 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3i5g h LYS 798 CO 0.00 1.13 -0.13 0.00 -2.27 0.00 0.00 179.45 178.19 3i5g h ALA 799 N 0.28 1.13 0.57 5.00 0.00 -0.01 -3.15 119.26 123.08 3i5g h ALA 799 Ca -0.35 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 3i5g h ALA 799 Cb 2.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 3i5g h ALA 799 CO 0.13 0.16 -0.47 -0.92 0.00 0.00 0.00 179.25 178.14 3i5g h TYR 800 N 0.00 -1.28 -0.94 0.00 3.20 -0.67 -1.28 116.97 116.00 3i5g h TYR 800 Ca -0.00 0.00 0.25 0.00 3.14 0.00 0.00 58.73 62.12 3i5g h TYR 800 Cb 0.47 0.49 -0.06 0.00 1.54 0.00 0.00 36.73 39.17 3i5g h TYR 800 CO 0.00 -0.65 0.65 -0.22 -1.64 0.00 0.00 178.16 176.30 3i5g h LYS 801 N -1.01 0.20 -0.36 1.82 3.64 -1.67 0.87 116.57 120.06 3i5g h LYS 801 Ca -0.07 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.13 3i5g h LYS 801 Cb 0.85 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 3i5g h LYS 801 CO -0.00 0.13 -0.42 -0.22 -2.27 0.00 0.00 179.45 176.67 3i5g h LYS 802 N 0.21 0.92 -0.16 1.90 3.64 -1.57 -2.38 116.57 119.14 3i5g h LYS 802 Ca 0.48 -0.51 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3i5g h LYS 802 Cb 1.52 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.36 3i5g h LYS 802 CO -0.11 1.16 -0.04 -0.07 -2.27 0.00 0.00 179.45 178.12 3i5g h LEU 803 N 0.74 0.21 -0.06 5.20 3.38 0.19 -0.84 115.31 124.12 3i5g h LEU 803 Ca 0.05 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3i5g h LEU 803 Cb 1.02 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.72 3i5g h LEU 803 CO 0.10 0.29 -0.23 1.56 0.09 0.00 0.00 178.44 180.25 3i5g h GLN 804 N 0.23 0.25 -0.13 1.13 4.20 -0.84 -2.62 115.11 117.32 3i5g h GLN 804 Ca 0.05 -0.20 0.03 0.00 0.06 0.00 0.00 58.65 58.59 3i5g h GLN 804 Cb 0.22 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 3i5g h GLN 804 CO 0.01 0.84 -0.06 -0.44 -0.67 0.00 0.00 178.83 178.51 3i5g h ASP 805 N -0.28 -0.19 -0.05 1.46 3.32 -1.13 -1.88 116.42 117.67 3i5g h ASP 805 Ca -0.01 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.10 3i5g h ASP 805 Cb 0.88 0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.53 3i5g h ASP 805 CO 0.05 -0.08 0.04 1.56 -1.72 0.00 0.00 179.24 179.09 3i5g h GLN 806 N -0.04 0.00 0.15 3.56 4.20 -1.21 -1.60 115.11 120.17 3i5g h GLN 806 Ca 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3i5g h GLN 806 Cb 0.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3i5g h GLN 806 CO -0.16 0.00 -0.07 -0.09 -0.67 0.00 0.00 178.83 177.84 3i5g h ARG 807 N 0.00 -0.20 -0.51 1.46 2.43 -0.95 0.43 114.38 117.04 3i5g h ARG 807 Ca 0.03 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.31 3i5g h ARG 807 Cb 0.11 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 29.62 3i5g h ARG 807 CO -0.00 0.14 -0.04 0.82 -1.51 0.00 0.00 179.97 179.38 3i5g h ILE 808 N -0.56 0.56 0.16 1.20 1.08 -1.06 0.23 117.51 119.13 3i5g h ILE 808 Ca -0.02 -0.03 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 3i5g h ILE 808 Cb 0.43 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 3i5g h ILE 808 CO 0.03 0.01 -0.20 1.23 -0.69 0.00 0.00 178.15 178.54 3i5g h GLY 809 N 0.07 -0.40 2.00 5.37 0.00 -1.03 -0.83 103.07 108.25 3i5g h GLY 809 Ca 0.25 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.81 3i5g h GLY 809 CO -0.46 -0.19 0.00 -2.00 0.00 0.00 0.00 176.54 173.89 3i5g h LEU 810 N -0.41 0.00 0.03 3.11 5.85 0.49 -2.27 115.31 122.11 3i5g h LEU 810 Ca 0.01 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3i5g h LEU 810 Cb 0.40 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3i5g h LEU 810 CO -0.07 0.00 -0.01 0.74 -0.34 0.00 0.00 178.44 178.76 3i5g h THR 811 N 0.00 1.43 -0.76 1.05 2.02 0.18 -2.31 112.91 114.51 3i5g h THR 811 Ca 0.00 -1.60 0.10 0.00 0.77 0.00 0.00 66.41 65.68 3i5g h THR 811 Cb 0.34 2.47 -0.05 0.00 -1.74 0.00 0.00 68.15 69.17 3i5g h THR 811 CO 0.00 0.40 0.50 -0.07 0.37 0.00 0.00 175.52 176.72 3i5g h LEU 812 N -0.75 0.60 0.24 2.58 3.38 -0.81 -2.74 115.31 117.81 3i5g h LEU 812 Ca -0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 3i5g h LEU 812 Cb 0.68 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3i5g h LEU 812 CO 0.01 0.35 -0.11 0.40 0.09 0.00 0.00 178.44 179.18 3i5g h ILE 813 N 0.66 0.76 -0.56 1.22 2.04 -1.43 -2.55 117.51 117.65 3i5g h ILE 813 Ca 0.35 -0.85 0.13 0.00 1.00 0.00 0.00 64.86 65.49 3i5g h ILE 813 Cb 0.49 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.73 3i5g h ILE 813 CO -0.13 0.16 0.39 1.56 0.00 0.00 0.00 178.15 180.13 3i5g h GLN 814 N -0.81 0.19 0.00 2.37 4.20 -1.19 -0.97 115.11 118.90 3i5g h GLN 814 Ca -0.03 -0.01 -0.22 0.00 0.06 0.00 0.00 58.65 58.44 3i5g h GLN 814 Cb 0.51 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 3i5g h GLN 814 CO 0.05 0.12 -1.56 2.89 -0.67 0.00 0.00 178.83 179.66 3i5g n ARG 815 N -4.43 0.63 -0.01 1.46 1.85 -1.05 -2.86 116.66 112.24 3i5g n ARG 815 Ca 0.10 0.24 -0.18 0.00 -1.00 0.00 0.00 57.85 57.02 3i5g n ARG 815 Cb 0.50 -1.79 -0.08 0.00 -1.05 0.00 0.00 32.46 30.03 3i5g n ARG 815 CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3i5g h ASN 816 N 0.00 0.87 -0.26 2.89 2.35 -1.12 0.24 115.58 120.56 3i5g h ASN 816 Ca -0.22 -0.66 -0.05 0.00 -0.55 0.00 0.00 56.30 54.82 3i5g h ASN 816 Cb 1.77 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 39.86 3i5g h ASN 816 CO 0.06 1.40 0.02 0.58 -1.65 0.00 0.00 177.43 177.84 3i5g h VAL 817 N 0.41 1.19 -0.12 2.81 2.07 -1.33 -0.34 116.25 120.95 3i5g h VAL 817 Ca -0.07 -0.75 -0.19 0.00 0.82 0.00 0.00 66.70 66.51 3i5g h VAL 817 Cb 1.42 0.90 0.01 0.00 -1.52 0.00 0.00 31.29 32.10 3i5g h VAL 817 CO 0.16 0.26 -0.67 0.03 0.02 0.00 0.00 177.57 177.37 3i5g h ARG 818 N 0.53 0.66 0.00 1.57 3.08 -1.38 -1.17 114.38 117.67 3i5g h ARG 818 Ca 0.12 -0.56 -0.00 0.00 0.07 0.00 0.00 59.98 59.61 3i5g h ARG 818 Cb 0.30 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 3i5g h ARG 818 CO 0.01 1.17 -0.02 -0.22 -1.07 0.00 0.00 179.97 179.84 3i5g h LYS 819 N 0.33 0.00 0.11 0.04 1.63 -0.13 -2.44 116.57 116.11 3i5g h LYS 819 Ca -0.05 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.59 3i5g h LYS 819 Cb 1.31 0.00 0.02 0.00 -0.60 0.00 0.00 32.23 32.96 3i5g h LYS 819 CO 0.14 0.02 -0.70 2.35 -3.45 0.00 0.00 179.45 177.81 3i5g h TRP 820 N 0.00 0.49 0.00 1.91 7.01 -0.87 -2.91 115.95 121.58 3i5g h TRP 820 Ca -0.00 -0.35 0.00 0.00 2.11 0.00 0.00 58.89 60.65 3i5g h TRP 820 Cb 0.42 -0.02 0.00 0.00 -2.10 0.00 0.00 29.16 27.45 3i5g h TRP 820 CO 0.00 1.26 0.27 -0.07 -2.79 0.00 0.00 178.44 177.11 3i5g h LEU 821 N -0.42 0.00 0.00 0.65 3.38 -0.72 -1.16 115.31 117.05 3i5g h LEU 821 Ca -0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3i5g h LEU 821 Cb 1.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.28 3i5g h LEU 821 CO 0.13 0.00 -0.02 0.52 0.09 0.00 0.00 178.44 179.16 3i5g n VAL 822 N -2.59 0.06 0.23 1.22 0.31 -1.15 -4.48 118.33 111.93 3i5g n VAL 822 Ca -0.02 0.49 0.18 0.00 -0.01 0.00 0.00 64.34 64.98 3i5g n VAL 822 Cb 0.31 -1.54 0.80 0.00 -0.91 0.00 0.00 33.84 32.50 3i5g n VAL 822 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i5g h LEU 823 N -0.04 0.00 0.00 7.52 3.38 -1.32 -2.59 115.31 122.25 3i5g h LEU 823 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i5g h LEU 823 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3i5g h LEU 823 CO 0.00 0.00 0.00 -2.11 0.09 0.00 0.00 178.44 176.42 3i5g n ARG 824 N -3.30 0.11 0.00 1.13 1.85 -0.45 -2.16 116.66 113.83 3i5g n ARG 824 Ca 0.02 0.09 0.00 0.00 -1.00 0.00 0.00 57.85 56.96 3i5g n ARG 824 Cb 0.46 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 3i5g n ARG 824 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i5g n ASN 825 N -1.10 1.37 -4.55 2.89 3.02 -0.98 -4.97 115.26 110.94 3i5g n ASN 825 Ca 0.03 -0.13 -0.37 0.00 -0.03 0.00 0.00 54.58 54.08 3i5g n ASN 825 Cb 0.02 0.54 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 3i5g n ASN 825 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 3i5g s TRP 826 N -0.81 1.93 0.01 3.10 -0.00 -0.92 -4.88 118.94 117.37 3i5g s TRP 826 Ca 0.00 0.37 -0.02 0.00 -0.00 0.00 0.00 56.10 56.46 3i5g s TRP 826 Cb 0.00 -4.27 -0.00 0.00 -0.00 0.00 0.00 33.47 29.19 3i5g s TRP 826 CO 0.00 -2.09 0.14 0.39 -0.00 0.00 0.00 176.95 175.38 3i5g n GLU 827 N 9.13 -0.03 -0.33 5.86 4.71 -1.26 0.11 120.64 138.83 3i5g n GLU 827 Ca 0.22 0.13 0.23 0.00 -0.01 0.00 0.00 57.16 57.74 3i5g n GLU 827 Cb 0.50 -0.20 0.46 0.00 -1.01 0.00 0.00 31.44 31.19 3i5g n GLU 827 CO 0.00 0.00 0.00 -1.49 0.09 0.00 0.00 177.13 175.73 3i5g h TRP 828 N 0.00 0.76 -0.83 -0.32 4.06 -1.94 0.87 115.95 118.55 3i5g h TRP 828 Ca 0.01 0.04 0.03 0.00 2.06 0.00 0.00 58.89 61.04 3i5g h TRP 828 Cb 0.02 -0.17 -0.05 0.00 -1.00 0.00 0.00 29.16 27.96 3i5g h TRP 828 CO -0.10 -0.27 0.53 2.35 -3.56 0.00 0.00 178.44 177.39 3i5g h TRP 829 N 0.21 0.99 0.17 0.49 -0.00 0.46 -1.91 115.95 116.37 3i5g h TRP 829 Ca 0.72 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.63 3i5g h TRP 829 Cb 1.69 -0.33 0.00 0.00 -0.00 0.00 0.00 29.16 30.52 3i5g h TRP 829 CO -0.08 0.57 -0.08 0.00 -0.00 0.00 0.00 178.44 178.85 3i5g h ARG 830 N 1.03 -0.22 -0.01 2.65 3.08 0.72 -3.01 114.38 118.62 3i5g h ARG 830 Ca 0.33 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.40 3i5g h ARG 830 Cb 0.01 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3i5g h ARG 830 CO -0.12 -0.00 -0.16 -0.07 -1.07 0.00 0.00 179.97 178.55 3i5g h LEU 831 N -0.41 -0.51 -1.57 3.04 3.38 -0.90 -0.57 115.31 117.77 3i5g h LEU 831 Ca -0.02 0.06 0.18 0.00 0.09 0.00 0.00 57.88 58.18 3i5g h LEU 831 Cb 0.32 0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3i5g h LEU 831 CO 0.04 -0.16 0.75 0.15 0.09 0.00 0.00 178.44 179.32 3i5g h PHE 832 N -0.20 0.00 0.00 1.13 3.57 -1.46 1.86 116.94 121.84 3i5g h PHE 832 Ca 0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3i5g h PHE 832 Cb 0.22 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 3i5g h PHE 832 CO -0.43 0.00 -0.03 -0.91 -2.23 0.00 0.00 178.31 174.71 3i5g h ASN 833 N 0.00 0.00 0.00 0.41 -0.26 -0.97 -3.10 115.58 111.66 3i5g h ASN 833 Ca 0.29 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.75 3i5g h ASN 833 Cb 1.80 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 39.01 3i5g h ASN 833 CO -0.00 0.03 -2.05 0.29 -1.06 0.00 0.00 177.43 174.63 3i5g n LYS 834 N -3.11 0.45 0.19 0.81 5.02 0.55 -4.33 118.16 117.74 3i5g n LYS 834 Ca 0.03 0.12 0.18 0.00 -2.02 0.00 0.00 58.31 56.62 3i5g n LYS 834 Cb 0.46 -1.34 0.78 0.00 -0.02 0.00 0.00 35.03 34.91 3i5g n LYS 834 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3i5g h VAL 835 N -0.10 0.26 0.00 -0.18 2.07 0.83 -2.97 116.25 116.17 3i5g h VAL 835 Ca -0.42 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.84 3i5g h VAL 835 Cb 1.61 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3i5g h VAL 835 CO -0.10 0.00 -2.08 0.29 0.02 0.00 0.00 177.57 175.70 3i5g n LYS 836 N -3.45 1.19 0.22 1.57 5.02 -1.17 -4.12 118.16 117.42 3i5g n LYS 836 Ca 0.04 -0.03 0.15 0.00 -2.02 0.00 0.00 58.31 56.44 3i5g n LYS 836 Cb 0.50 -1.42 0.79 0.00 -0.02 0.00 0.00 35.03 34.88 3i5g n LYS 836 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 3i5g h PRO 837 N 0.00 0.00 -1.96 1.97 0.11 -1.71 -1.49 132.00 128.91 3i5g h PRO 837 Ca -0.38 0.00 -0.73 0.00 0.11 0.00 0.00 66.00 65.00 3i5g h PRO 837 Cb 1.83 0.00 -0.31 0.00 0.11 0.00 0.00 31.00 32.64 3i5g h PRO 837 CO 0.02 0.00 0.63 1.28 -0.21 0.00 0.00 178.00 179.73 3i5g n LEU 838 N -2.53 6.82 -0.87 2.35 4.77 -1.22 -5.15 117.00 121.16 3i5g n LEU 838 Ca -0.02 -5.04 0.11 0.00 -0.03 0.00 0.00 56.01 51.03 3i5g n LEU 838 Cb 0.06 -0.94 0.09 0.00 -2.33 0.00 0.00 43.42 40.30 3i5g n LEU 838 CO 0.13 1.93 0.60 0.18 -1.33 0.00 0.00 177.39 178.89