#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uro s PHE 11 N 0.00 2.48 0.51 1.61 0.08 -1.26 -5.08 117.98 116.32 1uro s PHE 11 Ca 0.00 -0.33 -0.23 0.00 0.12 0.00 0.00 56.93 56.49 1uro s PHE 11 Cb 0.00 -1.19 -0.06 0.00 -0.57 0.00 0.00 43.02 41.20 1uro s PHE 11 CO 0.00 0.63 1.35 -2.14 -0.10 0.00 0.00 175.22 174.95 1uro s PRO 12 N -3.61 3.35 0.34 0.24 0.02 -1.26 -4.93 135.00 129.15 1uro s PRO 12 Ca 0.32 2.21 -0.28 0.00 0.02 0.00 0.00 61.00 63.27 1uro s PRO 12 Cb -0.04 -2.37 -0.10 0.00 0.02 0.00 0.00 34.50 32.01 1uro s PRO 12 CO 0.18 -1.01 1.22 -2.00 -0.33 0.00 0.00 177.00 175.06 1uro s GLU 13 N -2.76 4.34 0.14 5.54 2.12 -1.26 -4.46 118.70 122.35 1uro s GLU 13 Ca 0.68 2.03 -0.31 0.00 0.36 0.00 0.00 54.97 57.73 1uro s GLU 13 Cb -0.40 -3.00 -0.09 0.00 0.26 0.00 0.00 34.13 30.91 1uro s GLU 13 CO 0.48 -0.13 1.47 -1.17 -0.54 0.00 0.00 175.26 175.36 1uro s LEU 14 N -1.89 4.37 -0.16 2.70 2.96 -1.26 -4.35 118.68 121.05 1uro s LEU 14 Ca 0.50 2.45 -0.12 0.00 -0.22 0.00 0.00 54.13 56.74 1uro s LEU 14 Cb -0.36 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.68 1uro s LEU 14 CO 0.47 -0.73 -0.09 0.29 -1.32 0.00 0.00 176.35 174.97 1uro n LYS 15 N 3.95 0.48 -3.41 1.98 5.02 0.18 -4.78 118.16 121.58 1uro n LYS 15 Ca 0.12 0.54 -0.44 0.00 -2.02 0.00 0.00 58.31 56.51 1uro n LYS 15 Cb 0.41 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.63 1uro n LYS 15 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1uro s ASN 16 N -6.00 6.11 -0.19 4.39 3.84 -1.10 -4.92 114.94 117.07 1uro s ASN 16 Ca -0.18 -1.28 0.16 0.00 0.21 0.00 0.00 52.86 51.77 1uro s ASN 16 Cb 0.03 -2.17 0.60 0.00 -0.55 0.00 0.00 41.25 39.16 1uro s ASN 16 CO 0.30 -0.61 1.50 -0.90 -2.79 0.00 0.00 177.10 174.60 1uro n ASP 17 N 5.18 4.32 -0.22 -4.21 5.75 -1.26 -4.12 116.55 121.99 1uro n ASP 17 Ca -0.12 -3.00 0.02 0.00 -0.01 0.00 0.00 54.79 51.68 1uro n ASP 17 Cb 0.44 -0.58 0.14 0.00 -1.03 0.00 0.00 41.12 40.09 1uro n ASP 17 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 1uro h THR 18 N 2.32 0.62 -0.52 2.12 2.02 -1.91 -0.15 112.91 117.42 1uro h THR 18 Ca 0.00 -0.10 0.07 0.00 0.77 0.00 0.00 66.41 67.14 1uro h THR 18 Cb 1.57 0.29 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 1uro h THR 18 CO 0.29 0.06 0.20 0.15 0.37 0.00 0.00 175.52 176.59 1uro h PHE 19 N 0.30 0.36 -0.37 3.16 3.57 -1.84 -0.97 116.94 121.14 1uro h PHE 19 Ca 0.35 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.72 1uro h PHE 19 Cb 0.54 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 1uro h PHE 19 CO -0.23 0.13 -0.40 -0.07 -2.23 0.00 0.00 178.31 175.50 1uro h LEU 20 N 0.39 0.99 -0.63 0.59 3.38 -1.44 -1.66 115.31 116.94 1uro h LEU 20 Ca 0.25 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1uro h LEU 20 Cb 0.26 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1uro h LEU 20 CO -0.24 1.26 0.38 0.03 0.09 0.00 0.00 178.44 179.96 1uro h ARG 21 N 0.75 0.85 -0.74 1.13 3.08 -0.92 -0.89 114.38 117.65 1uro h ARG 21 Ca 0.06 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1uro h ARG 21 Cb 1.00 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.84 1uro h ARG 21 CO 0.10 0.61 0.28 0.00 -1.07 0.00 0.00 179.97 179.88 1uro h ALA 22 N 1.19 1.10 -0.74 0.04 0.00 -1.11 0.20 119.26 119.94 1uro h ALA 22 Ca 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1uro h ALA 22 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1uro h ALA 22 CO -0.04 0.63 0.37 0.00 0.00 0.00 0.00 179.25 180.21 1uro h ALA 23 N 1.23 1.25 -0.00 0.00 0.00 -0.76 -0.21 119.26 120.77 1uro h ALA 23 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1uro h ALA 23 Cb 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1uro h ALA 23 CO -0.02 0.58 -0.00 0.91 0.00 0.00 0.00 179.25 180.72 1uro n TRP 24 N -4.33 0.00 -0.18 0.00 7.02 -0.39 -4.59 117.44 114.97 1uro n TRP 24 Ca 0.07 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.55 1uro n TRP 24 Cb 0.13 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 28.76 1uro n TRP 24 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1uro n GLY 25 N 1.26 0.89 3.86 6.99 0.00 -0.09 -5.04 105.19 113.06 1uro n GLY 25 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1uro n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uro s GLU 26 N -0.82 3.82 0.37 1.61 2.02 0.00 -4.61 118.70 121.08 1uro s GLU 26 Ca 0.00 0.65 -0.26 0.00 0.02 0.00 0.00 54.97 55.37 1uro s GLU 26 Cb 0.00 -2.28 -0.09 0.00 0.10 0.00 0.00 34.13 31.86 1uro s GLU 26 CO 0.00 -0.16 1.17 -1.21 0.02 0.00 0.00 175.26 175.08 1uro s GLU 27 N -4.04 4.21 0.22 1.61 0.41 -1.26 -4.20 118.70 115.65 1uro s GLU 27 Ca 0.54 1.88 0.01 0.00 -0.41 0.00 0.00 54.97 56.99 1uro s GLU 27 Cb -0.10 -2.82 -0.05 0.00 -1.78 0.00 0.00 34.13 29.38 1uro s GLU 27 CO 0.33 -0.19 0.06 0.95 -0.49 0.00 0.00 175.26 175.92 1uro s THR 28 N -1.34 0.51 -0.29 3.63 -4.23 -1.26 -4.93 115.64 107.73 1uro s THR 28 Ca 0.54 -1.99 0.27 0.00 -1.18 0.00 0.00 61.69 59.33 1uro s THR 28 Cb -0.32 -2.41 0.34 0.00 1.34 0.00 0.00 72.50 71.46 1uro s THR 28 CO 0.41 -0.19 1.77 0.44 -0.54 0.00 0.00 174.62 176.50 1uro h ASP 29 N 2.54 0.00 -5.07 3.99 3.32 -1.98 -3.46 116.42 115.76 1uro h ASP 29 Ca -0.37 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.69 1uro h ASP 29 Cb 1.23 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.71 1uro h ASP 29 CO 0.61 0.00 0.11 -0.72 -1.72 0.00 0.00 179.24 177.52 1uro s TYR 30 N -3.36 -0.07 -0.17 4.55 1.13 -1.26 -4.60 117.35 113.56 1uro s TYR 30 Ca 0.05 -0.32 -0.22 0.00 -1.41 0.00 0.00 57.07 55.16 1uro s TYR 30 Cb 0.08 0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 41.43 1uro s TYR 30 CO 0.59 -1.09 0.69 0.99 -2.51 0.00 0.00 175.55 174.22 1uro s THR 31 N -3.92 4.99 0.56 -3.49 2.01 -1.26 -5.03 115.64 109.49 1uro s THR 31 Ca 0.13 1.35 -0.17 0.00 0.31 0.00 0.00 61.69 63.30 1uro s THR 31 Cb -0.03 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.41 1uro s THR 31 CO 0.04 0.11 1.06 -2.16 -0.69 0.00 0.00 174.62 172.98 1uro s PRO 32 N 1.77 3.47 -0.04 4.92 0.04 -1.26 -4.61 135.00 139.29 1uro s PRO 32 Ca 0.33 1.29 -0.03 0.00 0.04 0.00 0.00 61.00 62.63 1uro s PRO 32 Cb -0.16 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1uro s PRO 32 CO 0.12 -0.70 0.10 0.54 0.04 0.00 0.00 177.00 177.10 1uro s VAL 33 N -2.24 -0.00 0.20 -0.36 0.11 -1.26 -1.34 120.40 115.51 1uro s VAL 33 Ca 0.66 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.68 1uro s VAL 33 Cb -0.17 -0.14 -0.03 0.00 -1.53 0.00 0.00 36.38 34.51 1uro s VAL 33 CO 0.31 0.00 0.20 -1.66 -3.33 0.00 0.00 175.10 170.61 1uro s TRP 34 N 0.10 0.95 -0.06 1.54 1.48 -1.12 -0.78 118.94 121.05 1uro s TRP 34 Ca -0.00 -1.22 0.02 0.00 -1.06 0.00 0.00 56.10 53.84 1uro s TRP 34 Cb -0.01 -0.39 0.02 0.00 -1.16 0.00 0.00 33.47 31.92 1uro s TRP 34 CO -0.00 -0.70 -0.10 0.00 -4.06 0.00 0.00 176.95 172.09 1uro s MET 36 N 0.73 4.11 -1.23 0.00 -1.94 -1.26 -1.24 119.30 118.46 1uro s MET 36 Ca -0.14 2.59 0.00 0.00 -1.71 0.00 0.00 55.69 56.43 1uro s MET 36 Cb -0.15 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.69 1uro s MET 36 CO 0.03 -0.61 0.00 0.54 -0.01 0.00 0.00 175.02 174.97 1uro n ARG 37 N 1.60 -0.97 0.28 2.03 1.74 -1.26 -1.81 116.66 118.27 1uro n ARG 37 Ca 0.06 0.78 0.11 0.00 -0.77 0.00 0.00 57.85 58.03 1uro n ARG 37 Cb 0.38 -4.92 0.78 0.00 -1.02 0.00 0.00 32.46 27.67 1uro n ARG 37 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 1uro h GLN 38 N 0.00 0.00 -4.64 5.56 3.07 -1.57 -2.98 115.11 114.55 1uro h GLN 38 Ca -0.29 0.00 -0.71 0.00 0.09 0.00 0.00 58.65 57.74 1uro h GLN 38 Cb 1.05 0.00 -0.20 0.00 0.08 0.00 0.00 27.48 28.41 1uro h GLN 38 CO 0.37 0.00 -0.05 0.00 0.09 0.00 0.00 178.83 179.25 1uro s ALA 39 N -4.85 3.46 0.36 0.06 0.00 -1.26 -4.53 121.76 115.00 1uro s ALA 39 Ca -0.05 -2.05 -0.17 0.00 0.00 0.00 0.00 51.96 49.69 1uro s ALA 39 Cb 0.16 -3.33 0.05 0.00 0.00 0.00 0.00 23.12 20.00 1uro s ALA 39 CO 0.61 -2.04 0.79 0.20 0.00 0.00 0.00 175.76 175.32 1uro s GLY 40 N 3.03 0.27 0.32 0.00 0.00 -1.13 -5.04 107.32 104.77 1uro s GLY 40 Ca 0.10 -0.65 0.22 0.00 0.00 0.00 0.00 44.72 44.40 1uro s GLY 40 CO 0.08 -0.18 1.68 0.54 0.00 0.00 0.00 173.10 175.22 1uro n ARG 41 N -0.52 0.15 0.20 2.90 1.74 -1.26 -1.34 116.66 118.53 1uro n ARG 41 Ca -0.07 0.62 0.15 0.00 -0.77 0.00 0.00 57.85 57.77 1uro n ARG 41 Cb 0.60 -1.96 0.64 0.00 -1.02 0.00 0.00 32.46 30.72 1uro n ARG 41 CO 0.00 0.00 0.00 0.10 -1.52 0.00 0.00 177.63 176.21 1uro h TYR 42 N 0.00 0.00 -3.46 -1.55 -0.00 -1.79 -3.41 116.97 106.77 1uro h TYR 42 Ca 0.00 0.00 -0.60 0.00 -0.00 0.00 0.00 58.73 58.13 1uro h TYR 42 Cb 0.04 0.00 -0.12 0.00 -0.00 0.00 0.00 36.73 36.66 1uro h TYR 42 CO 0.00 0.00 -0.26 -0.51 -0.00 0.00 0.00 178.16 177.39 1uro s LEU 43 N -5.15 4.17 0.29 0.10 1.43 -0.45 -4.45 118.68 114.61 1uro s LEU 43 Ca 0.01 0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.55 1uro s LEU 43 Cb 0.09 -2.44 0.40 0.00 0.03 0.00 0.00 46.19 44.27 1uro s LEU 43 CO 0.41 -0.03 1.96 -0.65 0.23 0.00 0.00 176.35 178.27 1uro h PRO 44 N 7.26 1.15 0.00 1.29 0.11 -1.87 -1.70 132.00 138.23 1uro h PRO 44 Ca -0.37 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1uro h PRO 44 Cb 1.16 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1uro h PRO 44 CO 0.72 0.76 -0.14 1.05 -0.21 0.00 0.00 178.00 180.17 1uro h GLU 45 N 1.18 0.00 -0.14 1.05 9.09 -1.94 -1.39 114.58 122.43 1uro h GLU 45 Ca 0.33 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.69 1uro h GLU 45 Cb -0.12 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 26.98 1uro h GLU 45 CO -0.07 0.14 -0.08 0.35 0.05 0.00 0.00 179.01 179.40 1uro h PHE 46 N 0.00 0.34 -0.24 2.06 3.04 -1.58 -1.86 116.94 118.69 1uro h PHE 46 Ca -0.00 -0.09 0.02 0.00 3.98 0.00 0.00 57.97 61.88 1uro h PHE 46 Cb 0.27 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.68 1uro h PHE 46 CO 0.00 0.64 0.10 0.00 -2.02 0.00 0.00 178.31 177.02 1uro h ARG 47 N -0.05 0.21 -0.14 1.11 3.08 -1.19 0.15 114.38 117.54 1uro h ARG 47 Ca 0.03 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.08 1uro h ARG 47 Cb 0.55 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1uro h ARG 47 CO 0.02 0.14 0.04 1.49 -1.07 0.00 0.00 179.97 180.59 1uro h GLU 48 N 0.22 0.10 -0.55 0.04 4.81 -1.29 0.14 114.58 118.04 1uro h GLU 48 Ca 0.10 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1uro h GLU 48 Cb 0.06 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1uro h GLU 48 CO -0.09 0.06 0.35 1.15 -0.73 0.00 0.00 179.01 179.75 1uro h THR 49 N 0.10 1.16 0.00 0.32 2.02 -1.18 -2.40 112.91 112.93 1uro h THR 49 Ca 0.06 -0.32 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1uro h THR 49 Cb 0.05 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1uro h THR 49 CO -0.08 0.15 -0.14 0.03 0.37 0.00 0.00 175.52 175.86 1uro h ARG 50 N 0.75 0.00 0.00 6.66 3.08 -0.38 -2.67 114.38 121.81 1uro h ARG 50 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1uro h ARG 50 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 1uro h ARG 50 CO -0.04 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 179.00 1uro h ALA 51 N 1.86 1.00 -0.17 0.04 0.00 -0.19 -3.01 119.26 118.79 1uro h ALA 51 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1uro h ALA 51 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1uro h ALA 51 CO 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 179.25 179.26 1uro h ALA 52 N 2.18 1.68 -3.51 0.00 0.00 -1.51 -3.46 119.26 114.64 1uro h ALA 52 Ca 0.00 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 1uro h ALA 52 Cb 0.37 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1uro h ALA 52 CO 0.00 0.24 -0.06 1.04 0.00 0.00 0.00 179.25 180.47 1uro n GLN 53 N -4.39 0.56 -2.27 0.00 3.00 -1.14 -5.12 117.38 108.03 1uro n GLN 53 Ca -0.00 -1.98 -0.32 0.00 -0.01 0.00 0.00 57.00 54.68 1uro n GLN 53 Cb 0.18 1.98 -0.02 0.00 0.00 0.00 0.00 30.24 32.38 1uro n GLN 53 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.06 177.22 1uro s ASP 54 N -2.57 6.27 0.16 1.08 -4.77 -1.26 -4.84 116.67 110.73 1uro s ASP 54 Ca 0.20 1.69 -0.30 0.00 -3.30 0.00 0.00 52.55 50.84 1uro s ASP 54 Cb -0.01 -2.52 -0.07 0.00 -1.09 0.00 0.00 42.92 39.23 1uro s ASP 54 CO 0.14 -0.83 1.51 0.33 0.70 0.00 0.00 175.17 177.03 1uro n PHE 55 N -1.72 -0.43 0.30 2.11 7.35 -1.26 -1.35 117.46 122.46 1uro n PHE 55 Ca 0.08 1.22 0.17 0.00 -0.76 0.00 0.00 57.45 58.15 1uro n PHE 55 Cb 0.53 -0.58 0.67 0.00 0.35 0.00 0.00 39.48 40.46 1uro n PHE 55 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1uro h PHE 56 N 0.00 0.00 -0.05 -5.13 0.04 -1.95 -2.04 116.94 107.80 1uro h PHE 56 Ca 0.16 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.69 1uro h PHE 56 Cb 0.40 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.56 1uro h PHE 56 CO -1.01 0.00 -0.91 1.03 -0.60 0.00 0.00 178.31 176.82 1uro h SER 57 N 0.00 0.79 0.01 2.17 0.87 -1.59 -1.87 113.55 113.93 1uro h SER 57 Ca 0.00 -0.59 -0.00 0.00 -1.23 0.00 0.00 61.79 59.97 1uro h SER 57 Cb 0.48 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1uro h SER 57 CO 0.00 1.38 -0.00 0.74 -0.53 0.00 0.00 176.83 178.42 1uro h THR 58 N 0.39 1.00 -0.33 2.23 2.02 -0.66 -2.35 112.91 115.21 1uro h THR 58 Ca -0.09 -0.04 0.10 0.00 0.77 0.00 0.00 66.41 67.15 1uro h THR 58 Cb 1.54 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1uro h THR 58 CO 0.17 0.01 0.24 0.00 0.37 0.00 0.00 175.52 176.32 1uro n ARG 60 N -4.40 1.46 -3.71 0.00 1.74 -0.71 -4.74 116.66 106.30 1uro n ARG 60 Ca 0.05 -0.67 -0.39 0.00 -0.77 0.00 0.00 57.85 56.07 1uro n ARG 60 Cb 0.42 -1.46 -0.12 0.00 -1.02 0.00 0.00 32.46 30.28 1uro n ARG 60 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1uro s SER 61 N -1.91 5.43 0.23 0.55 0.15 -0.67 -4.97 113.70 112.51 1uro s SER 61 Ca 0.39 -1.07 -0.06 0.00 0.70 0.00 0.00 55.95 55.91 1uro s SER 61 Cb 0.20 -1.92 0.39 0.00 -1.71 0.00 0.00 66.02 62.99 1uro s SER 61 CO 0.33 -0.34 1.72 -0.65 1.20 0.00 0.00 173.24 175.50 1uro h PRO 62 N 8.28 0.38 -0.56 5.44 0.11 -1.85 -0.22 132.00 143.58 1uro h PRO 62 Ca -0.24 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.77 1uro h PRO 62 Cb 1.09 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1uro h PRO 62 CO 0.62 0.25 0.04 0.93 -0.21 0.00 0.00 178.00 179.63 1uro h GLU 63 N 0.39 0.93 -0.50 1.05 4.39 -1.94 0.83 114.58 119.73 1uro h GLU 63 Ca 0.38 -0.25 -0.12 0.00 0.34 0.00 0.00 59.36 59.70 1uro h GLU 63 Cb 0.56 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.09 1uro h GLU 63 CO -0.40 0.90 -0.17 0.00 -1.16 0.00 0.00 179.01 178.18 1uro h ALA 64 N 1.17 0.70 -0.42 3.43 0.00 -1.63 -0.81 119.26 121.69 1uro h ALA 64 Ca 0.17 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1uro h ALA 64 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1uro h ALA 64 CO 0.02 0.66 0.04 0.00 0.00 0.00 0.00 179.25 179.96 1uro h GLU 67 N 0.34 0.49 -0.71 0.00 4.57 -0.81 -1.09 114.58 117.38 1uro h GLU 67 Ca 0.13 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.23 1uro h GLU 67 Cb 0.03 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 1uro h GLU 67 CO -0.08 0.34 0.28 -0.07 -1.18 0.00 0.00 179.01 178.30 1uro h LEU 68 N 0.50 0.99 -0.83 1.64 3.38 -0.96 -1.28 115.31 118.75 1uro h LEU 68 Ca 0.14 -0.18 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1uro h LEU 68 Cb -0.04 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 1uro h LEU 68 CO -0.03 0.90 0.53 0.74 0.09 0.00 0.00 178.44 180.67 1uro h THR 69 N 1.02 1.12 0.00 0.22 2.02 -0.23 -3.04 112.91 114.03 1uro h THR 69 Ca 0.24 -0.35 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 1uro h THR 69 Cb 0.22 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.62 1uro h THR 69 CO -0.02 0.19 -0.67 -0.07 0.37 0.00 0.00 175.52 175.32 1uro h LEU 70 N 1.03 0.00 -0.60 2.58 3.38 -0.85 -3.37 115.31 117.47 1uro h LEU 70 Ca 0.33 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.42 1uro h LEU 70 Cb 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.65 1uro h LEU 70 CO -0.12 0.67 -0.14 1.56 0.09 0.00 0.00 178.44 180.50 1uro h GLN 71 N 0.00 0.01 -0.12 1.13 4.20 -1.12 -0.79 115.11 118.42 1uro h GLN 71 Ca -0.01 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1uro h GLN 71 Cb 1.34 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.11 1uro h GLN 71 CO 0.09 0.00 -0.14 -1.00 -0.67 0.00 0.00 178.83 177.11 1uro h PRO 72 N 0.01 0.19 0.00 1.46 0.13 -1.74 -2.00 132.00 130.04 1uro h PRO 72 Ca 0.29 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 65.36 1uro h PRO 72 Cb 0.45 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.55 1uro h PRO 72 CO -0.61 0.34 -0.09 -0.07 -0.23 0.00 0.00 178.00 177.33 1uro h LEU 73 N 0.18 0.00 -0.11 1.56 3.38 -1.35 0.66 115.31 119.63 1uro h LEU 73 Ca 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1uro h LEU 73 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1uro h LEU 73 CO 0.02 0.09 -0.09 0.03 0.09 0.00 0.00 178.44 178.59 1uro h ARG 74 N 0.00 0.00 0.05 1.13 3.08 -0.91 -3.31 114.38 114.42 1uro h ARG 74 Ca -0.00 0.00 -0.35 0.00 0.07 0.00 0.00 59.98 59.70 1uro h ARG 74 Cb 0.41 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.41 1uro h ARG 74 CO 0.01 0.09 -2.06 0.54 -1.07 0.00 0.00 179.97 177.48 1uro n ARG 75 N -3.13 0.70 -4.12 0.04 1.74 -0.52 -5.00 116.66 106.37 1uro n ARG 75 Ca 0.03 0.22 -0.15 0.00 -0.77 0.00 0.00 57.85 57.18 1uro n ARG 75 Cb 0.55 -1.67 -0.12 0.00 -1.02 0.00 0.00 32.46 30.20 1uro n ARG 75 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1uro s PHE 76 N -2.55 0.84 -1.46 -1.55 0.08 0.11 -5.01 117.98 108.44 1uro s PHE 76 Ca -0.18 -0.44 -0.11 0.00 0.12 0.00 0.00 56.93 56.31 1uro s PHE 76 Cb 0.07 -0.49 0.04 0.00 -0.57 0.00 0.00 43.02 42.07 1uro s PHE 76 CO 0.76 -0.03 2.38 -0.35 -0.10 0.00 0.00 175.22 177.88 1uro n PRO 77 N 1.58 3.38 -2.46 0.24 -0.04 -1.26 -4.36 135.00 132.07 1uro n PRO 77 Ca -0.21 -2.74 -0.35 0.00 -0.04 0.00 0.00 63.50 60.16 1uro n PRO 77 Cb 0.55 -3.04 -0.03 0.00 -0.04 0.00 0.00 33.50 30.95 1uro n PRO 77 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1uro s LEU 78 N 0.85 3.90 0.00 1.53 1.43 -1.26 -4.94 118.68 120.19 1uro s LEU 78 Ca 0.52 2.04 0.24 0.00 -1.03 0.00 0.00 54.13 55.90 1uro s LEU 78 Cb 0.15 -4.46 0.82 0.00 0.03 0.00 0.00 46.19 42.74 1uro s LEU 78 CO -0.07 -0.82 1.60 0.47 0.23 0.00 0.00 176.35 177.77 1uro n ASP 79 N -0.80 1.74 -3.56 2.29 8.00 0.04 -4.87 116.55 119.39 1uro n ASP 79 Ca 0.09 -1.66 -0.15 0.00 0.71 0.00 0.00 54.79 53.78 1uro n ASP 79 Cb 0.51 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.49 1uro n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uro s ALA 80 N -1.86 -1.46 0.12 2.24 0.00 -1.26 -4.21 121.76 115.32 1uro s ALA 80 Ca 0.35 0.83 0.06 0.00 0.00 0.00 0.00 51.96 53.20 1uro s ALA 80 Cb 0.19 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 1uro s ALA 80 CO 0.29 -0.45 -0.05 0.00 0.00 0.00 0.00 175.76 175.55 1uro s ALA 81 N -1.99 3.11 -0.07 0.00 0.00 -0.08 -4.90 121.76 117.83 1uro s ALA 81 Ca -0.08 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.69 1uro s ALA 81 Cb -0.01 -1.00 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 1uro s ALA 81 CO 0.02 0.63 -0.21 -1.50 0.00 0.00 0.00 175.76 174.70 1uro s ILE 82 N -1.36 1.75 0.24 0.00 2.07 -1.26 -0.05 121.20 122.59 1uro s ILE 82 Ca 0.24 -0.86 -0.31 0.00 -1.41 0.00 0.00 60.65 58.30 1uro s ILE 82 Cb -0.11 -1.51 -0.13 0.00 0.13 0.00 0.00 42.46 40.84 1uro s ILE 82 CO 0.16 0.49 1.42 0.00 -1.91 0.00 0.00 174.94 175.11 1uro n ILE 83 N 3.34 0.94 -2.37 2.00 0.13 -0.45 -4.79 119.36 118.16 1uro n ILE 83 Ca -0.19 -0.24 -0.42 0.00 -1.10 0.00 0.00 62.75 60.80 1uro n ILE 83 Cb 0.52 -1.51 -0.03 0.00 -0.84 0.00 0.00 39.64 37.79 1uro n ILE 83 CO 0.00 0.00 0.00 0.12 2.80 0.00 0.00 176.55 179.47 1uro s PHE 84 N -0.04 2.93 0.00 9.51 5.36 -1.26 -4.92 117.98 129.56 1uro s PHE 84 Ca 0.68 1.00 0.00 0.00 -0.96 0.00 0.00 56.93 57.65 1uro s PHE 84 Cb -0.64 -3.53 0.00 0.00 -0.34 0.00 0.00 43.02 38.51 1uro s PHE 84 CO 0.49 -1.83 0.00 0.45 -1.46 0.00 0.00 175.22 172.87 1uro n SER 85 N 5.82 0.00 -3.78 6.13 2.88 -1.26 -4.88 113.62 118.54 1uro n SER 85 Ca 0.13 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 1uro n SER 85 Cb 0.45 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.81 1uro n SER 85 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1uro s ASP 86 N 2.00 -0.21 0.56 -3.46 2.15 -1.26 -5.03 116.67 111.42 1uro s ASP 86 Ca 0.00 0.25 0.32 0.00 0.43 0.00 0.00 52.55 53.55 1uro s ASP 86 Cb 0.00 0.42 1.67 0.00 -0.30 0.00 0.00 42.92 44.71 1uro s ASP 86 CO 0.00 -0.31 2.14 0.16 -0.17 0.00 0.00 175.17 176.99 1uro h ILE 87 N 4.22 0.38 0.00 4.11 3.07 -1.95 -2.65 117.51 124.69 1uro h ILE 87 Ca -0.28 -0.37 0.00 0.00 1.55 0.00 0.00 64.86 65.75 1uro h ILE 87 Cb 1.18 1.26 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 1uro h ILE 87 CO 0.37 0.07 0.00 0.18 -1.05 0.00 0.00 178.15 177.71 1uro n LEU 88 N -3.48 0.00 0.26 0.16 4.77 -1.26 -3.06 117.00 114.39 1uro n LEU 88 Ca -0.02 0.31 0.09 0.00 -0.03 0.00 0.00 56.01 56.36 1uro n LEU 88 Cb 0.20 -0.31 0.67 0.00 -2.33 0.00 0.00 43.42 41.65 1uro n LEU 88 CO 0.27 -0.10 1.03 -0.37 -1.33 0.00 0.00 177.39 176.90 1uro h VAL 89 N 0.00 0.91 0.23 4.08 -1.51 -1.90 -2.51 116.25 115.55 1uro h VAL 89 Ca 0.00 -0.19 -0.01 0.00 -1.23 0.00 0.00 66.70 65.27 1uro h VAL 89 Cb 0.21 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 30.48 1uro h VAL 89 CO 0.00 0.05 -0.11 0.58 -1.23 0.00 0.00 177.57 176.86 1uro h VAL 90 N 0.00 0.79 -0.14 7.19 2.07 -1.80 -0.53 116.25 123.83 1uro h VAL 90 Ca -0.00 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1uro h VAL 90 Cb 0.10 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1uro h VAL 90 CO 0.01 0.16 -0.01 1.55 0.02 0.00 0.00 177.57 179.30 1uro h PRO 91 N -0.77 0.20 -0.47 1.57 0.13 -1.77 -0.79 132.00 130.10 1uro h PRO 91 Ca -0.03 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1uro h PRO 91 Cb 0.51 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.58 1uro h PRO 91 CO 0.05 0.23 0.18 0.37 -0.23 0.00 0.00 178.00 178.60 1uro h GLN 92 N 0.20 0.71 0.00 0.86 4.15 -1.37 -2.10 115.11 117.55 1uro h GLN 92 Ca 0.05 -0.13 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 1uro h GLN 92 Cb 0.16 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.74 1uro h GLN 92 CO 0.00 0.65 -0.00 0.00 -1.93 0.00 0.00 178.83 177.55 1uro h ALA 93 N 1.03 1.00 0.00 3.38 0.00 -0.29 -0.41 119.26 123.97 1uro h ALA 93 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1uro h ALA 93 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1uro h ALA 93 CO -0.01 0.01 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1uro n LEU 94 N -3.10 0.00 0.00 0.00 4.77 -0.38 -4.79 117.00 113.51 1uro n LEU 94 Ca -0.00 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 1uro n LEU 94 Cb 0.27 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1uro n LEU 94 CO 0.26 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 1uro n GLY 95 N 1.09 0.91 3.82 -0.72 0.00 -0.16 -0.09 105.19 110.02 1uro n GLY 95 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 1uro n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1uro s MET 96 N -0.21 4.16 -0.16 1.61 -1.94 -0.97 -4.96 119.30 116.84 1uro s MET 96 Ca 0.00 0.69 -0.20 0.00 -1.71 0.00 0.00 55.69 54.47 1uro s MET 96 Cb 0.00 -3.20 -0.03 0.00 2.01 0.00 0.00 34.83 33.61 1uro s MET 96 CO 0.00 0.63 0.60 -1.21 -0.01 0.00 0.00 175.02 175.02 1uro s GLU 97 N -1.20 4.28 0.20 2.03 0.41 -1.26 -4.17 118.70 118.98 1uro s GLU 97 Ca 0.30 0.60 0.10 0.00 -0.41 0.00 0.00 54.97 55.56 1uro s GLU 97 Cb -0.19 -3.52 -0.04 0.00 -1.78 0.00 0.00 34.13 28.60 1uro s GLU 97 CO 0.19 -0.09 -0.21 0.08 -0.49 0.00 0.00 175.26 174.74 1uro s VAL 98 N 1.40 2.15 -0.02 2.63 1.01 -1.26 -4.19 120.40 122.12 1uro s VAL 98 Ca 0.29 -2.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.19 1uro s VAL 98 Cb -0.16 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.17 1uro s VAL 98 CO 0.12 -0.26 0.05 0.42 0.00 0.00 0.00 175.10 175.43 1uro s THR 99 N -2.01 0.00 -0.74 3.92 -4.23 0.22 -4.97 115.64 107.83 1uro s THR 99 Ca 0.21 -0.03 0.04 0.00 -1.18 0.00 0.00 61.69 60.72 1uro s THR 99 Cb -0.06 -0.09 0.22 0.00 1.34 0.00 0.00 72.50 73.91 1uro s THR 99 CO 0.09 -0.02 0.73 0.80 -0.54 0.00 0.00 174.62 175.69 1uro n MET 100 N 3.00 2.47 -2.29 3.99 1.56 -1.26 -0.33 117.12 124.26 1uro n MET 100 Ca -0.13 -4.58 -0.43 0.00 -0.27 0.00 0.00 57.70 52.30 1uro n MET 100 Cb 0.59 -2.31 -0.02 0.00 2.15 0.00 0.00 33.22 33.63 1uro n MET 100 CO 0.00 0.00 0.00 0.14 -0.73 0.00 0.00 175.97 175.38 1uro s VAL 101 N -2.00 3.82 0.34 1.12 -7.23 -1.06 -4.79 120.40 110.61 1uro s VAL 101 Ca 0.32 0.84 0.18 0.00 -1.81 0.00 0.00 61.98 61.51 1uro s VAL 101 Cb 0.04 -4.10 0.33 0.00 0.56 0.00 0.00 36.38 33.21 1uro s VAL 101 CO -0.07 -0.70 1.46 -0.81 -0.31 0.00 0.00 175.10 174.67 1uro n PRO 102 N 8.15 -0.06 -0.02 4.82 -0.04 -1.26 -0.32 135.00 146.27 1uro n PRO 102 Ca 0.18 1.29 -0.16 0.00 -0.04 0.00 0.00 63.50 64.77 1uro n PRO 102 Cb 0.48 -2.29 -0.09 0.00 -0.04 0.00 0.00 33.50 31.56 1uro n PRO 102 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1uro h GLY 103 N 0.00 0.51 0.00 0.55 0.00 -2.05 -3.40 103.07 98.69 1uro h GLY 103 Ca 0.77 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1uro h GLY 103 CO -0.73 0.66 -0.15 0.50 0.00 0.00 0.00 176.54 176.82 1uro h LYS 104 N 0.03 0.00 0.00 4.80 1.57 -1.52 -3.52 116.57 117.93 1uro h LYS 104 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1uro h LYS 104 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1uro h LYS 104 CO 0.10 0.13 0.00 0.41 -0.57 0.00 0.00 179.45 179.52 1uro n GLY 105 N 1.72 0.57 3.80 3.86 0.00 0.57 -5.03 105.19 110.66 1uro n GLY 105 Ca -0.04 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.78 1uro n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1uro s PRO 106 N -1.07 3.76 -0.16 1.61 0.04 -1.26 -2.55 135.00 135.37 1uro s PRO 106 Ca 0.00 1.38 -0.15 0.00 0.04 0.00 0.00 61.00 62.27 1uro s PRO 106 Cb 0.00 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.49 1uro s PRO 106 CO 0.00 -0.47 0.42 0.45 0.04 0.00 0.00 177.00 177.44 1uro s SER 107 N -1.98 -0.44 -0.36 6.66 0.15 0.55 -4.54 113.70 113.74 1uro s SER 107 Ca 0.68 0.84 0.01 0.00 0.70 0.00 0.00 55.95 58.18 1uro s SER 107 Cb -0.17 0.86 0.10 0.00 -1.71 0.00 0.00 66.02 65.10 1uro s SER 107 CO 0.21 -0.15 0.10 -0.36 1.20 0.00 0.00 173.24 174.24 1uro s PHE 108 N 0.22 3.65 0.59 3.44 0.40 -0.15 -0.61 117.98 125.52 1uro s PHE 108 Ca -0.00 -2.69 0.29 0.00 -0.60 0.00 0.00 56.93 53.93 1uro s PHE 108 Cb -0.03 -2.96 1.68 0.00 0.51 0.00 0.00 43.02 42.22 1uro s PHE 108 CO 0.01 -0.95 2.13 -1.00 0.70 0.00 0.00 175.22 176.11 1uro h PRO 109 N 7.81 0.00 -2.78 0.24 0.13 -1.85 -3.24 132.00 132.31 1uro h PRO 109 Ca -0.09 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.43 1uro h PRO 109 Cb 1.03 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.75 1uro h PRO 109 CO 0.59 0.00 -0.65 0.39 -0.23 0.00 0.00 178.00 178.10 1uro n GLU 110 N -3.83 1.71 -1.34 0.86 4.71 -1.26 -5.11 120.64 116.37 1uro n GLU 110 Ca 0.01 -4.31 -0.31 0.00 -0.01 0.00 0.00 57.16 52.54 1uro n GLU 110 Cb 0.28 -2.16 0.09 0.00 -1.01 0.00 0.00 31.44 28.63 1uro n GLU 110 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 1uro s PRO 111 N -1.45 2.32 0.03 3.49 0.04 -1.22 -4.92 135.00 133.28 1uro s PRO 111 Ca 0.29 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 1uro s PRO 111 Cb 0.01 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 1uro s PRO 111 CO -0.14 -1.60 1.32 -0.51 0.04 0.00 0.00 177.00 176.11 1uro s LEU 112 N -5.73 4.33 0.00 -3.56 1.43 0.46 -4.86 118.68 110.76 1uro s LEU 112 Ca 0.63 2.08 0.00 0.00 -1.03 0.00 0.00 54.13 55.81 1uro s LEU 112 Cb -0.18 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1uro s LEU 112 CO 0.53 -0.63 0.00 0.54 0.23 0.00 0.00 176.35 177.02 1uro n ARG 113 N 4.77 2.41 -4.36 1.70 5.12 -1.26 -4.39 116.66 120.66 1uro n ARG 113 Ca 0.12 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.85 1uro n ARG 113 Cb 0.44 -0.79 -0.10 0.00 -1.16 0.00 0.00 32.46 30.85 1uro n ARG 113 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 1uro s GLU 114 N -1.38 1.41 0.32 5.56 -1.05 -1.26 -5.03 118.70 117.26 1uro s GLU 114 Ca 0.00 -1.72 0.02 0.00 -0.15 0.00 0.00 54.97 53.12 1uro s GLU 114 Cb 0.00 -0.71 0.60 0.00 -0.44 0.00 0.00 34.13 33.57 1uro s GLU 114 CO 0.00 -0.09 1.91 1.49 0.95 0.00 0.00 175.26 179.52 1uro h GLU 115 N 2.40 0.92 0.00 -4.83 4.81 -1.99 -1.68 114.58 114.21 1uro h GLU 115 Ca -0.39 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1uro h GLU 115 Cb 1.23 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 1uro h GLU 115 CO 0.65 0.61 -0.04 0.37 -0.73 0.00 0.00 179.01 179.88 1uro h GLN 116 N 0.95 0.00 0.00 1.92 4.15 -2.03 -1.76 115.11 118.34 1uro h GLN 116 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.81 1uro h GLN 116 Cb 0.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.97 1uro h GLN 116 CO -0.15 0.04 0.00 -0.44 -1.93 0.00 0.00 178.83 176.34 1uro h ASP 117 N 0.00 0.00 0.54 -0.69 3.32 -1.71 -1.84 116.42 116.03 1uro h ASP 117 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 1uro h ASP 117 Cb 0.15 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1uro h ASP 117 CO 0.00 0.00 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.31 1uro h LEU 118 N 0.00 0.00 -2.25 1.55 3.38 -1.48 -2.88 115.31 113.64 1uro h LEU 118 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1uro h LEU 118 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1uro h LEU 118 CO 0.00 0.14 0.00 -0.33 0.09 0.00 0.00 178.44 178.34 1uro h GLU 119 N 0.00 0.00 -0.01 1.13 5.08 -1.54 -2.12 114.58 117.12 1uro h GLU 119 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1uro h GLU 119 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1uro h GLU 119 CO 0.02 0.00 -0.23 2.89 -1.00 0.00 0.00 179.01 180.68 1uro n ARG 120 N -2.81 0.67 -2.59 2.33 1.85 -1.09 -4.89 116.66 110.13 1uro n ARG 120 Ca -0.02 -0.34 -0.33 0.00 -1.00 0.00 0.00 57.85 56.16 1uro n ARG 120 Cb 0.10 -1.49 -0.05 0.00 -1.05 0.00 0.00 32.46 29.97 1uro n ARG 120 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1uro s LEU 121 N -2.57 3.79 0.77 2.89 1.43 -0.80 -4.81 118.68 119.39 1uro s LEU 121 Ca 0.24 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 54.92 1uro s LEU 121 Cb 0.19 -4.53 0.06 0.00 0.03 0.00 0.00 46.19 41.94 1uro s LEU 121 CO 0.53 -0.55 1.08 -0.13 0.23 0.00 0.00 176.35 177.51 1uro s ARG 122 N -3.54 2.28 0.15 1.70 0.52 0.86 -4.97 118.95 115.96 1uro s ARG 122 Ca 0.62 0.94 -0.31 0.00 -0.52 0.00 0.00 55.73 56.45 1uro s ARG 122 Cb -0.11 -1.92 -0.10 0.00 0.52 0.00 0.00 34.95 33.35 1uro s ARG 122 CO 0.22 -1.56 1.55 0.34 0.02 0.00 0.00 175.30 175.86 1uro s ASP 123 N -3.63 6.62 0.63 0.23 -1.08 -1.26 -4.86 116.67 113.32 1uro s ASP 123 Ca 0.60 2.57 0.32 0.00 -0.52 0.00 0.00 52.55 55.52 1uro s ASP 123 Cb -0.16 -2.59 1.79 0.00 -1.46 0.00 0.00 42.92 40.50 1uro s ASP 123 CO 0.55 -0.81 2.08 1.55 0.52 0.00 0.00 175.17 179.07 1uro h PRO 124 N 6.92 0.00 0.00 4.34 0.13 -1.89 -1.95 132.00 139.54 1uro h PRO 124 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1uro h PRO 124 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1uro h PRO 124 CO 0.91 0.00 -0.02 0.93 -0.23 0.00 0.00 178.00 179.59 1uro h GLU 125 N 0.00 0.00 -0.02 0.86 4.39 -1.89 -2.46 114.58 115.46 1uro h GLU 125 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1uro h GLU 125 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1uro h GLU 125 CO -0.00 0.02 -0.15 1.33 -1.16 0.00 0.00 179.01 179.05 1uro n VAL 126 N -3.22 0.00 -0.29 3.13 0.24 -0.73 -4.51 118.33 112.95 1uro n VAL 126 Ca -0.02 -0.39 -0.06 0.00 -2.04 0.00 0.00 64.34 61.84 1uro n VAL 126 Cb 0.17 1.27 0.06 0.00 -1.47 0.00 0.00 33.84 33.88 1uro n VAL 126 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1uro h VAL 127 N 3.64 1.26 -0.67 3.34 2.07 -1.57 -2.66 116.25 121.66 1uro h VAL 127 Ca 0.00 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1uro h VAL 127 Cb 0.85 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 1uro h VAL 127 CO 0.00 0.33 0.45 0.00 0.02 0.00 0.00 177.57 178.37 1uro h ALA 128 N 1.16 1.52 -0.06 1.67 0.00 -1.79 -0.93 119.26 120.84 1uro h ALA 128 Ca 0.26 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1uro h ALA 128 Cb 0.22 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1uro h ALA 128 CO -0.02 0.44 -0.34 0.66 0.00 0.00 0.00 179.25 179.99 1uro h SER 129 N 0.91 0.11 1.18 0.00 4.64 -1.78 -1.26 113.55 117.36 1uro h SER 129 Ca 0.25 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1uro h SER 129 Cb -0.10 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1uro h SER 129 CO -0.05 0.46 0.00 -0.33 -0.87 0.00 0.00 176.83 176.03 1uro h GLU 130 N 0.10 0.00 -0.57 4.77 4.39 -1.09 -3.01 114.58 119.17 1uro h GLU 130 Ca 0.01 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.56 1uro h GLU 130 Cb 0.66 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.22 1uro h GLU 130 CO 0.05 0.00 0.15 1.28 -1.16 0.00 0.00 179.01 179.33 1uro n LEU 131 N -2.94 5.29 0.03 1.33 4.77 -0.48 -4.63 117.00 120.37 1uro n LEU 131 Ca 0.02 -3.25 0.16 0.00 -0.03 0.00 0.00 56.01 52.91 1uro n LEU 131 Cb 0.34 -0.68 0.65 0.00 -2.33 0.00 0.00 43.42 41.40 1uro n LEU 131 CO 0.28 0.84 1.16 1.23 -1.33 0.00 0.00 177.39 179.57 1uro h GLY 132 N 2.28 0.11 2.00 -0.72 0.00 -1.43 -0.71 103.07 104.59 1uro h GLY 132 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1uro h GLY 132 CO 0.56 0.02 -0.16 0.10 0.00 0.00 0.00 176.54 177.06 1uro h TYR 133 N 0.08 0.00 -0.07 5.60 -0.00 -1.88 -0.72 116.97 119.97 1uro h TYR 133 Ca 0.21 0.00 -0.24 0.00 -0.00 0.00 0.00 58.73 58.70 1uro h TYR 133 Cb 0.74 0.00 0.02 0.00 -0.00 0.00 0.00 36.73 37.49 1uro h TYR 133 CO -0.00 0.16 -0.89 0.28 -0.00 0.00 0.00 178.16 177.71 1uro h VAL 134 N 0.00 1.28 -0.86 -0.90 2.07 -1.42 -2.14 116.25 114.28 1uro h VAL 134 Ca -0.00 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.40 1uro h VAL 134 Cb 0.31 2.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1uro h VAL 134 CO 0.02 0.66 0.46 -0.26 0.02 0.00 0.00 177.57 178.47 1uro h PHE 135 N 0.44 1.18 -0.64 1.57 0.04 -1.25 -1.31 116.94 116.96 1uro h PHE 135 Ca -0.09 -0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.62 1uro h PHE 135 Cb 1.54 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 39.28 1uro h PHE 135 CO 0.10 0.82 0.30 1.96 -0.60 0.00 0.00 178.31 180.89 1uro h GLN 136 N 1.20 0.93 -0.56 1.51 4.20 -1.12 -0.83 115.11 120.45 1uro h GLN 136 Ca 0.30 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 1uro h GLN 136 Cb 0.04 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1uro h GLN 136 CO -0.05 0.75 0.00 0.00 -0.67 0.00 0.00 178.83 178.86 1uro h ALA 137 N 1.13 0.95 -0.07 3.87 0.00 -0.74 -1.23 119.26 123.18 1uro h ALA 137 Ca 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1uro h ALA 137 Cb 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1uro h ALA 137 CO -0.03 0.63 0.03 0.82 0.00 0.00 0.00 179.25 180.71 1uro h ILE 138 N 0.88 1.12 -0.40 0.00 2.04 -0.76 -0.09 117.51 120.30 1uro h ILE 138 Ca 0.16 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1uro h ILE 138 Cb 0.51 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1uro h ILE 138 CO 0.03 0.10 0.24 0.74 0.00 0.00 0.00 178.15 179.26 1uro h THR 139 N -0.02 1.13 -0.07 -0.27 2.02 -1.02 -0.27 112.91 114.43 1uro h THR 139 Ca 0.02 -0.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.89 1uro h THR 139 Cb 0.13 0.62 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1uro h THR 139 CO -0.00 0.14 0.04 0.25 0.37 0.00 0.00 175.52 176.31 1uro h LEU 140 N 0.53 0.08 -0.87 2.58 5.85 -1.15 -1.82 115.31 120.51 1uro h LEU 140 Ca 0.14 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1uro h LEU 140 Cb 0.01 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 1uro h LEU 140 CO -0.03 0.11 0.11 0.74 -0.34 0.00 0.00 178.44 179.03 1uro h THR 141 N 0.05 1.25 -0.88 1.05 2.02 -0.78 -0.48 112.91 115.13 1uro h THR 141 Ca 0.02 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 1uro h THR 141 Cb 0.04 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 1uro h THR 141 CO -0.00 0.35 0.45 -0.09 0.37 0.00 0.00 175.52 176.59 1uro h ARG 142 N 0.90 1.24 0.03 6.66 9.65 -0.84 0.97 114.38 132.98 1uro h ARG 142 Ca 0.19 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1uro h ARG 142 Cb 0.37 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.72 1uro h ARG 142 CO 0.01 0.93 -0.01 1.96 2.80 0.00 0.00 179.97 185.65 1uro h GLN 143 N 1.24 -0.03 -0.12 0.20 4.20 -0.81 -3.08 115.11 116.71 1uro h GLN 143 Ca 0.30 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.96 1uro h GLN 143 Cb 0.07 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1uro h GLN 143 CO -0.04 0.29 -0.18 0.00 -0.67 0.00 0.00 178.83 178.23 1uro h ARG 144 N -0.36 0.19 0.00 1.46 2.47 -0.87 -1.47 114.38 115.81 1uro h ARG 144 Ca -0.00 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.64 1uro h ARG 144 Cb 0.34 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.63 1uro h ARG 144 CO 0.01 0.37 -0.11 -0.07 0.56 0.00 0.00 179.97 180.73 1uro h LEU 145 N 0.18 0.00 -0.90 3.04 3.38 -0.77 -3.46 115.31 116.77 1uro h LEU 145 Ca 0.03 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.53 1uro h LEU 145 Cb 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 1uro h LEU 145 CO 0.03 0.11 -0.75 0.00 0.09 0.00 0.00 178.44 177.92 1uro n ALA 146 N -2.27 -1.27 -1.00 1.53 0.00 -0.56 -1.53 120.51 115.42 1uro n ALA 146 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1uro n ALA 146 Cb 0.23 -4.47 0.00 0.00 0.00 0.00 0.00 19.45 15.21 1uro n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uro n GLY 147 N -1.68 0.37 0.10 0.00 0.00 -1.26 -4.83 105.19 97.88 1uro n GLY 147 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 1uro n GLY 147 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1uro h ARG 148 N 0.73 0.01 -3.54 1.61 2.43 -1.58 0.52 114.38 114.55 1uro h ARG 148 Ca 0.00 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 1uro h ARG 148 Cb 0.27 -0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.71 1uro h ARG 148 CO 0.00 0.01 -0.10 0.14 -1.51 0.00 0.00 179.97 178.50 1uro s VAL 149 N -6.20 0.03 0.61 0.20 -7.23 -1.26 -2.70 120.40 103.86 1uro s VAL 149 Ca -0.13 -1.09 -0.17 0.00 -1.81 0.00 0.00 61.98 58.77 1uro s VAL 149 Cb 0.10 -1.78 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1uro s VAL 149 CO 0.68 -0.15 1.14 -2.84 -0.31 0.00 0.00 175.10 173.62 1uro s PRO 150 N -3.93 2.98 -0.23 4.82 0.02 -1.26 -4.77 135.00 132.63 1uro s PRO 150 Ca 0.14 1.58 -0.06 0.00 0.02 0.00 0.00 61.00 62.68 1uro s PRO 150 Cb 0.00 -1.96 -0.02 0.00 0.02 0.00 0.00 34.50 32.54 1uro s PRO 150 CO 0.00 -1.14 0.03 -1.17 -0.33 0.00 0.00 177.00 174.39 1uro s LEU 151 N -4.36 3.26 -0.15 -5.54 2.96 -1.26 -0.90 118.68 112.70 1uro s LEU 151 Ca 0.71 -0.25 -0.15 0.00 -0.22 0.00 0.00 54.13 54.22 1uro s LEU 151 Cb -0.24 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 1uro s LEU 151 CO 0.35 -0.01 0.36 -0.63 -1.32 0.00 0.00 176.35 175.10 1uro s ILE 152 N 1.45 5.26 0.44 6.68 1.01 0.92 -0.28 121.20 136.68 1uro s ILE 152 Ca 0.05 0.70 0.06 0.00 0.00 0.00 0.00 60.65 61.46 1uro s ILE 152 Cb -0.15 -3.70 0.01 0.00 0.01 0.00 0.00 42.46 38.64 1uro s ILE 152 CO 0.01 0.37 0.61 -0.83 0.00 0.00 0.00 174.94 175.10 1uro s GLY 153 N 0.53 1.87 0.09 6.18 0.00 -0.30 -1.34 107.32 114.35 1uro s GLY 153 Ca 0.20 -1.55 -0.26 0.00 0.00 0.00 0.00 44.72 43.11 1uro s GLY 153 CO 0.06 -1.36 0.92 -0.11 0.00 0.00 0.00 173.10 172.62 1uro s PHE 154 N -2.43 -0.23 0.21 1.90 -0.71 -1.26 -1.25 117.98 114.21 1uro s PHE 154 Ca 0.54 -0.01 -0.21 0.00 -1.04 0.00 0.00 56.93 56.21 1uro s PHE 154 Cb -0.10 0.60 0.05 0.00 -1.21 0.00 0.00 43.02 42.35 1uro s PHE 154 CO 0.34 -0.71 0.63 0.00 -1.34 0.00 0.00 175.22 174.13 1uro s ALA 155 N -3.23 -1.36 0.44 1.99 0.00 -0.87 -4.95 121.76 113.78 1uro s ALA 155 Ca 0.09 0.10 -0.16 0.00 0.00 0.00 0.00 51.96 51.99 1uro s ALA 155 Cb -0.01 0.87 -0.08 0.00 0.00 0.00 0.00 23.12 23.89 1uro s ALA 155 CO -0.03 -0.87 0.89 0.20 0.00 0.00 0.00 175.76 175.96 1uro s GLY 156 N -2.83 2.16 0.62 0.00 0.00 -1.26 -0.75 107.32 105.26 1uro s GLY 156 Ca 0.06 0.13 -0.13 0.00 0.00 0.00 0.00 44.72 44.77 1uro s GLY 156 CO -0.05 0.37 1.04 0.00 0.00 0.00 0.00 173.10 174.46 1uro s ALA 157 N -2.36 2.88 0.18 3.20 0.00 0.45 -4.73 121.76 121.38 1uro s ALA 157 Ca 0.57 0.13 -0.19 0.00 0.00 0.00 0.00 51.96 52.47 1uro s ALA 157 Cb -0.10 -3.15 0.11 0.00 0.00 0.00 0.00 23.12 19.98 1uro s ALA 157 CO 0.25 -0.79 1.62 -1.35 0.00 0.00 0.00 175.76 175.49 1uro h PRO 158 N -0.03 -0.13 -0.15 0.00 0.11 -1.91 -0.93 132.00 128.96 1uro h PRO 158 Ca -0.45 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 1uro h PRO 158 Cb 1.20 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1uro h PRO 158 CO 0.59 -0.09 0.09 2.35 -0.21 0.00 0.00 178.00 180.74 1uro h TRP 159 N -0.13 0.20 -0.94 0.65 2.91 -1.89 0.26 115.95 117.01 1uro h TRP 159 Ca 0.21 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.25 1uro h TRP 159 Cb 0.46 -0.07 -0.05 0.00 -0.51 0.00 0.00 29.16 29.00 1uro h TRP 159 CO -0.48 0.15 0.62 1.15 -1.03 0.00 0.00 178.44 178.85 1uro h THR 160 N 0.18 1.21 -0.57 2.65 2.02 -1.79 0.73 112.91 117.34 1uro h THR 160 Ca 0.05 -0.42 -0.10 0.00 0.77 0.00 0.00 66.41 66.71 1uro h THR 160 Cb 0.01 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.27 1uro h THR 160 CO -0.01 0.23 -0.04 -0.07 0.37 0.00 0.00 175.52 176.00 1uro h LEU 161 N 1.23 1.01 -0.73 2.58 3.38 -0.89 -2.25 115.31 119.65 1uro h LEU 161 Ca 0.35 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1uro h LEU 161 Cb -0.09 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.33 1uro h LEU 161 CO -0.09 1.09 0.44 -0.03 0.09 0.00 0.00 178.44 179.94 1uro h MET 162 N 0.91 0.80 -0.68 1.13 4.05 -0.02 -1.78 114.93 119.34 1uro h MET 162 Ca 0.16 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.58 1uro h MET 162 Cb 0.59 -0.18 -0.05 0.00 -0.80 0.00 0.00 31.60 31.16 1uro h MET 162 CO 0.04 0.53 0.39 1.79 0.23 0.00 0.00 176.91 179.88 1uro h THR 163 N 0.82 0.99 -0.53 -0.77 1.35 -0.30 -0.96 112.91 113.52 1uro h THR 163 Ca 0.31 -0.25 -0.09 0.00 -0.55 0.00 0.00 66.41 65.83 1uro h THR 163 Cb 0.12 0.21 -0.02 0.00 -1.73 0.00 0.00 68.15 66.73 1uro h THR 163 CO -0.15 0.13 -0.03 1.88 -0.25 0.00 0.00 175.52 177.10 1uro h TYR 164 N 0.72 1.01 -0.35 4.73 0.05 -1.12 0.49 116.97 122.51 1uro h TYR 164 Ca 0.30 -0.17 -0.09 0.00 0.05 0.00 0.00 58.73 58.82 1uro h TYR 164 Cb 0.15 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.61 1uro h TYR 164 CO -0.07 0.92 -0.15 0.52 -1.05 0.00 0.00 178.16 178.34 1uro h MET 165 N 0.85 0.63 0.12 4.88 2.86 -0.74 0.83 114.93 124.36 1uro h MET 165 Ca 0.15 -0.21 -0.33 0.00 -2.06 0.00 0.00 59.70 57.25 1uro h MET 165 Cb 0.55 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 1uro h MET 165 CO 0.03 0.76 -1.76 0.28 1.06 0.00 0.00 176.91 177.28 1uro h VAL 166 N 0.57 0.79 0.00 -2.22 2.07 -1.16 0.13 116.25 116.43 1uro h VAL 166 Ca 0.10 -2.36 -0.13 0.00 0.82 0.00 0.00 66.70 65.12 1uro h VAL 166 Cb 0.58 2.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1uro h VAL 166 CO 0.04 0.79 -0.63 -0.33 0.02 0.00 0.00 177.57 177.46 1uro h GLU 167 N -0.12 0.00 0.00 1.57 4.39 -0.95 -3.40 114.58 116.07 1uro h GLU 167 Ca -0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1uro h GLU 167 Cb 1.91 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.56 1uro h GLU 167 CO 0.06 0.63 0.00 0.41 -1.16 0.00 0.00 179.01 178.95 1uro n GLY 168 N 0.56 0.75 0.00 -3.84 0.00 0.28 -4.89 105.19 98.05 1uro n GLY 168 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1uro n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uro n GLY 169 N -2.34 -0.51 3.76 -0.02 0.00 -1.20 -0.98 105.19 103.90 1uro n GLY 169 Ca 0.00 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 1uro n GLY 169 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uro s GLY 170 N 0.00 1.60 -0.19 -0.02 0.00 -1.26 -4.55 107.32 102.90 1uro s GLY 170 Ca 0.00 -0.66 -0.28 0.00 0.00 0.00 0.00 44.72 43.77 1uro s GLY 170 CO 0.00 -0.02 0.94 -0.45 0.00 0.00 0.00 173.10 173.57 1uro s SER 171 N -4.05 -0.47 0.12 1.64 0.15 -1.26 -5.03 113.70 104.80 1uro s SER 171 Ca 0.66 0.68 0.26 0.00 0.70 0.00 0.00 55.95 58.26 1uro s SER 171 Cb -0.13 0.61 0.74 0.00 -1.71 0.00 0.00 66.02 65.53 1uro s SER 171 CO 0.54 -0.31 1.64 -1.54 1.20 0.00 0.00 173.24 174.77 1uro n SER 172 N 1.39 0.57 0.00 5.45 3.41 -1.26 -4.33 113.62 118.85 1uro n SER 172 Ca -0.13 0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1uro n SER 172 Cb 0.57 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1uro n SER 172 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1uro n THR 173 N -1.97 0.00 -3.65 6.66 -2.24 -1.26 -5.02 114.28 106.80 1uro n THR 173 Ca 0.05 -0.13 -0.28 0.00 -2.27 0.00 0.00 64.05 61.43 1uro n THR 173 Cb 0.40 0.60 0.01 0.00 -2.10 0.00 0.00 70.33 69.24 1uro n THR 173 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1uro n MET 174 N -0.83 -4.35 0.01 -0.78 0.00 -1.26 -4.86 117.12 105.05 1uro n MET 174 Ca 0.00 0.55 -0.00 0.00 0.00 0.00 0.00 57.70 58.25 1uro n MET 174 Cb 0.00 -5.35 0.29 0.00 0.00 0.00 0.00 33.22 28.16 1uro n MET 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1uro h ALA 175 N 0.97 1.34 -0.10 3.04 0.00 -1.96 0.14 119.26 122.69 1uro h ALA 175 Ca -0.52 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.01 1uro h ALA 175 Cb 1.34 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1uro h ALA 175 CO 0.62 0.45 -0.57 1.96 0.00 0.00 0.00 179.25 181.71 1uro h GLN 176 N 0.46 0.56 -0.32 0.00 1.08 -1.95 -1.01 115.11 113.93 1uro h GLN 176 Ca 0.10 -0.47 -0.11 0.00 -1.45 0.00 0.00 58.65 56.71 1uro h GLN 176 Cb 0.39 0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1uro h GLN 176 CO 0.02 1.10 -0.25 0.00 -0.95 0.00 0.00 178.83 178.74 1uro h ALA 177 N 0.47 0.46 -0.09 3.87 0.00 -1.82 -2.14 119.26 120.00 1uro h ALA 177 Ca -0.04 -0.39 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 1uro h ALA 177 Cb 1.22 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1uro h ALA 177 CO 0.12 0.44 -0.34 0.87 0.00 0.00 0.00 179.25 180.34 1uro h LYS 178 N 0.49 0.17 -0.68 0.00 1.57 -0.80 -1.59 116.57 115.73 1uro h LYS 178 Ca 0.06 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1uro h LYS 178 Cb 0.81 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 33.08 1uro h LYS 178 CO 0.07 0.49 0.28 -0.09 -0.57 0.00 0.00 179.45 179.63 1uro h ARG 179 N 0.15 0.99 -0.49 3.15 2.43 -0.99 -1.34 114.38 118.28 1uro h ARG 179 Ca 0.02 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1uro h ARG 179 Cb 0.67 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 1uro h ARG 179 CO 0.05 0.80 0.27 -1.49 -1.51 0.00 0.00 179.97 178.09 1uro h TRP 180 N 0.98 0.67 -0.82 2.20 4.06 -0.63 0.16 115.95 122.56 1uro h TRP 180 Ca 0.23 -0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.22 1uro h TRP 180 Cb 0.17 -0.21 -0.06 0.00 -1.00 0.00 0.00 29.16 28.06 1uro h TRP 180 CO 0.01 0.49 0.51 -0.07 -3.56 0.00 0.00 178.44 175.82 1uro h LEU 181 N 0.65 0.81 0.23 -4.49 3.38 -0.75 0.29 115.31 115.41 1uro h LEU 181 Ca 0.17 0.01 -0.33 0.00 0.09 0.00 0.00 57.88 57.82 1uro h LEU 181 Cb 0.04 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 40.67 1uro h LEU 181 CO -0.03 0.53 -1.48 1.88 0.09 0.00 0.00 178.44 179.43 1uro h TYR 182 N 0.94 0.87 0.00 1.13 0.05 -1.12 -3.29 116.97 115.55 1uro h TYR 182 Ca 0.35 -0.63 -0.21 0.00 0.05 0.00 0.00 58.73 58.29 1uro h TYR 182 Cb 0.12 -0.03 -0.04 0.00 1.01 0.00 0.00 36.73 37.79 1uro h TYR 182 CO -0.04 1.53 -2.07 1.04 -1.05 0.00 0.00 178.16 177.58 1uro n GLN 183 N -3.67 0.67 -3.01 4.88 6.02 0.54 -4.55 117.38 118.26 1uro n GLN 183 Ca -0.17 -0.02 -0.24 0.00 -0.01 0.00 0.00 57.00 56.56 1uro n GLN 183 Cb 1.09 -1.58 -0.03 0.00 1.02 0.00 0.00 30.24 30.74 1uro n GLN 183 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1uro n ARG 184 N -2.62 2.43 -0.35 -1.09 1.74 1.00 -4.94 116.66 112.82 1uro n ARG 184 Ca -0.19 -4.31 0.00 0.00 -0.77 0.00 0.00 57.85 52.58 1uro n ARG 184 Cb 0.90 -2.04 0.16 0.00 -1.02 0.00 0.00 32.46 30.46 1uro n ARG 184 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1uro h PRO 185 N 2.97 1.20 -0.16 5.56 0.13 -1.61 -0.36 132.00 139.73 1uro h PRO 185 Ca 0.12 -0.07 -0.02 0.00 -0.87 0.00 0.00 66.00 65.16 1uro h PRO 185 Cb 0.69 -0.27 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1uro h PRO 185 CO 0.70 0.79 0.04 1.96 -0.23 0.00 0.00 178.00 181.26 1uro h GLN 186 N 1.24 0.26 -0.55 0.86 4.20 -1.91 -0.53 115.11 118.67 1uro h GLN 186 Ca 0.38 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1uro h GLN 186 Cb -0.02 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.71 1uro h GLN 186 CO -0.11 0.41 0.28 0.00 -0.67 0.00 0.00 178.83 178.74 1uro h ALA 187 N 0.83 1.47 0.17 3.87 0.00 -1.88 -0.46 119.26 123.26 1uro h ALA 187 Ca 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1uro h ALA 187 Cb 0.27 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1uro h ALA 187 CO 0.00 0.43 -0.08 0.77 0.00 0.00 0.00 179.25 180.37 1uro h SER 188 N 0.76 -0.20 -0.95 0.00 0.02 -0.73 -0.32 113.55 112.15 1uro h SER 188 Ca 0.19 -0.09 0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1uro h SER 188 Cb 0.05 0.05 -0.05 0.00 0.14 0.00 0.00 62.40 62.59 1uro h SER 188 CO -0.03 -0.03 0.62 0.45 -1.14 0.00 0.00 176.83 176.70 1uro h HIS 189 N -0.35 1.17 -0.16 3.45 -0.00 -0.60 0.36 115.15 119.02 1uro h HIS 189 Ca -0.02 0.03 0.02 0.00 -0.00 0.00 0.00 60.37 60.40 1uro h HIS 189 Cb 0.27 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.26 1uro h HIS 189 CO -0.03 0.71 0.01 0.37 -0.00 0.00 0.00 177.93 178.99 1uro h GLN 190 N 1.24 0.06 -0.58 2.45 4.15 -0.84 0.23 115.11 121.83 1uro h GLN 190 Ca 0.36 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.75 1uro h GLN 190 Cb -0.08 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.57 1uro h GLN 190 CO -0.09 0.04 0.25 1.25 -1.93 0.00 0.00 178.83 178.34 1uro h LEU 191 N 0.06 0.79 -1.11 -2.39 5.85 -0.58 -0.87 115.31 117.07 1uro h LEU 191 Ca 0.07 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1uro h LEU 191 Cb 0.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1uro h LEU 191 CO -0.12 0.73 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.62 1uro h LEU 192 N 0.79 0.57 -0.34 2.25 3.38 -0.57 -0.94 115.31 120.46 1uro h LEU 192 Ca 0.19 -0.12 -0.15 0.00 0.09 0.00 0.00 57.88 57.89 1uro h LEU 192 Cb 0.17 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1uro h LEU 192 CO -0.02 0.66 -0.37 -0.09 0.09 0.00 0.00 178.44 178.71 1uro h ARG 193 N 0.57 0.84 -0.59 1.13 9.65 -0.72 -0.97 114.38 124.29 1uro h ARG 193 Ca 0.12 -0.46 0.02 0.00 -1.10 0.00 0.00 59.98 58.56 1uro h ARG 193 Cb 0.39 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.96 1uro h ARG 193 CO 0.02 1.10 0.37 0.82 2.80 0.00 0.00 179.97 185.07 1uro h ILE 194 N 0.63 1.10 -0.49 1.20 2.04 -0.62 -0.05 117.51 121.32 1uro h ILE 194 Ca 0.05 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 1uro h ILE 194 Cb 0.96 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1uro h ILE 194 CO 0.09 0.14 0.22 -0.07 0.00 0.00 0.00 178.15 178.52 1uro h LEU 195 N 0.74 0.65 -0.20 1.44 3.38 -1.10 -1.74 115.31 118.48 1uro h LEU 195 Ca 0.23 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1uro h LEU 195 Cb -0.02 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1uro h LEU 195 CO -0.08 0.62 0.12 0.74 0.09 0.00 0.00 178.44 179.93 1uro h THR 196 N 0.64 1.09 0.00 0.22 2.02 -0.62 0.12 112.91 116.38 1uro h THR 196 Ca 0.16 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 67.12 1uro h THR 196 Cb 0.15 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1uro h THR 196 CO -0.02 0.08 -0.05 0.44 0.37 0.00 0.00 175.52 176.34 1uro h ASP 197 N 0.24 0.00 0.18 4.18 3.32 -0.84 -1.40 116.42 122.10 1uro h ASP 197 Ca 0.07 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.77 1uro h ASP 197 Cb 0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 1uro h ASP 197 CO -0.01 0.05 -1.83 0.00 -1.72 0.00 0.00 179.24 175.73 1uro h ALA 198 N 1.95 0.26 -0.64 3.45 0.00 -1.04 -3.39 119.26 119.85 1uro h ALA 198 Ca -0.00 -1.23 -0.09 0.00 0.00 0.00 0.00 54.91 53.59 1uro h ALA 198 Cb 0.15 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1uro h ALA 198 CO 0.01 1.13 0.07 -0.07 0.00 0.00 0.00 179.25 180.39 1uro h LEU 199 N 0.09 1.05 0.53 0.00 3.38 -0.46 -2.76 115.31 117.15 1uro h LEU 199 Ca -0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.31 1uro h LEU 199 Cb 2.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1uro h LEU 199 CO 0.15 1.07 -0.41 0.58 0.09 0.00 0.00 178.44 179.91 1uro h VAL 200 N 1.00 0.17 0.00 1.22 2.07 -1.47 0.16 116.25 119.40 1uro h VAL 200 Ca 0.19 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.67 1uro h VAL 200 Cb 0.49 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1uro h VAL 200 CO 0.02 0.00 -0.19 1.55 0.02 0.00 0.00 177.57 178.97 1uro h PRO 201 N -0.92 0.00 0.01 1.57 0.13 -1.75 -0.45 132.00 130.58 1uro h PRO 201 Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1uro h PRO 201 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1uro h PRO 201 CO 0.00 0.19 -0.00 -0.92 -0.23 0.00 0.00 178.00 177.04 1uro h TYR 202 N 0.00 -0.01 -0.74 1.56 3.20 -1.19 0.31 116.97 120.10 1uro h TYR 202 Ca -0.00 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.84 1uro h TYR 202 Cb 0.38 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 1uro h TYR 202 CO 0.00 0.39 0.37 -0.07 -1.64 0.00 0.00 178.16 177.21 1uro h LEU 203 N -0.42 0.96 -0.41 2.82 3.38 -0.29 -1.24 115.31 120.11 1uro h LEU 203 Ca -0.00 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1uro h LEU 203 Cb 0.41 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1uro h LEU 203 CO 0.00 0.81 0.26 0.58 0.09 0.00 0.00 178.44 180.19 1uro h VAL 204 N 1.04 1.09 -0.37 1.22 2.07 -1.07 -2.07 116.25 118.16 1uro h VAL 204 Ca 0.26 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.59 1uro h VAL 204 Cb 0.10 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1uro h VAL 204 CO -0.03 0.10 0.23 1.23 0.02 0.00 0.00 177.57 179.11 1uro h GLY 205 N 0.54 0.53 1.24 2.17 0.00 -0.60 -0.72 103.07 106.24 1uro h GLY 205 Ca 0.15 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 1uro h GLY 205 CO -0.04 0.20 0.06 1.46 0.00 0.00 0.00 176.54 178.23 1uro h GLN 206 N 0.51 0.93 -0.10 4.80 4.20 -0.56 -0.13 115.11 124.76 1uro h GLN 206 Ca 0.14 -0.24 -0.15 0.00 0.06 0.00 0.00 58.65 58.46 1uro h GLN 206 Cb -0.02 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 27.65 1uro h GLN 206 CO -0.03 0.88 -0.50 0.28 -0.67 0.00 0.00 178.83 178.79 1uro h VAL 207 N 0.87 1.37 -1.00 -0.54 2.07 -0.77 0.66 116.25 118.90 1uro h VAL 207 Ca 0.17 -1.83 0.14 0.00 0.82 0.00 0.00 66.70 66.01 1uro h VAL 207 Cb 0.42 2.20 -0.09 0.00 -1.52 0.00 0.00 31.29 32.30 1uro h VAL 207 CO 0.01 0.55 0.63 0.58 0.02 0.00 0.00 177.57 179.36 1uro h VAL 208 N 0.12 0.85 0.00 2.57 2.07 -1.04 0.92 116.25 121.74 1uro h VAL 208 Ca -0.03 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1uro h VAL 208 Cb 1.15 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1uro h VAL 208 CO 0.10 0.17 0.00 0.00 0.02 0.00 0.00 177.57 177.86 1uro n ALA 209 N -2.34 2.02 0.00 1.67 0.00 -0.07 -4.88 120.51 116.90 1uro n ALA 209 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1uro n ALA 209 Cb 0.43 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1uro n ALA 209 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uro n GLY 210 N 0.80 0.95 3.77 0.00 0.00 0.32 -2.86 105.19 108.17 1uro n GLY 210 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1uro n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uro s ALA 211 N -0.88 3.59 -1.67 4.61 0.00 0.19 -4.83 121.76 122.78 1uro s ALA 211 Ca 0.00 1.51 0.15 0.00 0.00 0.00 0.00 51.96 53.62 1uro s ALA 211 Cb 0.00 -3.59 0.07 0.00 0.00 0.00 0.00 23.12 19.60 1uro s ALA 211 CO 0.00 -0.96 0.91 1.04 0.00 0.00 0.00 175.76 176.74 1uro n GLN 212 N 0.86 1.39 -3.46 0.00 6.02 0.62 -4.49 117.38 118.31 1uro n GLN 212 Ca 0.02 -1.14 -0.11 0.00 -0.01 0.00 0.00 57.00 55.76 1uro n GLN 212 Cb 0.39 -1.26 -0.02 0.00 1.02 0.00 0.00 30.24 30.37 1uro n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uro s ALA 213 N -1.46 -1.70 -0.00 -1.58 0.00 -1.21 -4.27 121.76 111.53 1uro s ALA 213 Ca 0.15 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.90 1uro s ALA 213 Cb 0.12 0.62 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 1uro s ALA 213 CO 0.26 -0.70 -0.08 -0.51 0.00 0.00 0.00 175.76 174.73 1uro s LEU 214 N -2.51 2.02 -0.08 0.00 1.43 -0.62 -1.15 118.68 117.78 1uro s LEU 214 Ca 0.02 -0.16 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1uro s LEU 214 Cb -0.01 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.80 1uro s LEU 214 CO -0.10 0.09 -0.20 -1.58 0.23 0.00 0.00 176.35 174.79 1uro s GLN 215 N -0.24 2.47 -0.25 1.70 0.74 -0.38 -0.37 119.66 123.33 1uro s GLN 215 Ca 0.03 -0.73 -0.08 0.00 0.05 0.00 0.00 55.36 54.63 1uro s GLN 215 Cb -0.03 -1.96 -0.03 0.00 1.10 0.00 0.00 33.01 32.09 1uro s GLN 215 CO -0.00 0.18 0.09 -1.17 -0.55 0.00 0.00 175.29 173.84 1uro s LEU 216 N 0.30 3.57 -0.55 3.68 2.96 0.06 -2.05 118.68 126.63 1uro s LEU 216 Ca -0.13 -0.15 -0.18 0.00 -0.22 0.00 0.00 54.13 53.44 1uro s LEU 216 Cb -0.16 -1.96 0.09 0.00 0.50 0.00 0.00 46.19 44.66 1uro s LEU 216 CO 0.06 -0.02 0.63 -0.36 -1.32 0.00 0.00 176.35 175.34 1uro s PHE 217 N 1.53 3.06 -1.10 5.38 0.40 0.07 -1.24 117.98 126.09 1uro s PHE 217 Ca 0.06 -0.89 -0.03 0.00 -0.60 0.00 0.00 56.93 55.47 1uro s PHE 217 Cb -0.15 -3.79 0.29 0.00 0.51 0.00 0.00 43.02 39.87 1uro s PHE 217 CO 0.05 -1.15 1.75 -1.91 0.70 0.00 0.00 175.22 174.65 1uro n GLU 218 N 6.06 4.84 0.29 0.44 4.07 0.88 -0.41 120.64 136.82 1uro n GLU 218 Ca -0.10 -4.42 0.16 0.00 -0.06 0.00 0.00 57.16 52.74 1uro n GLU 218 Cb 0.43 -2.54 0.90 0.00 -0.06 0.00 0.00 31.44 30.17 1uro n GLU 218 CO 0.00 0.00 0.00 0.77 -0.06 0.00 0.00 177.13 177.84 1uro h SER 219 N 4.86 0.00 -0.58 4.31 0.02 -1.89 -1.88 113.55 118.39 1uro h SER 219 Ca 0.40 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 61.14 1uro h SER 219 Cb 0.46 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.88 1uro h SER 219 CO 1.31 0.05 0.18 1.41 -1.14 0.00 0.00 176.83 178.64 1uro n HIS 220 N -3.51 1.87 -0.22 3.45 8.25 -1.26 -4.46 115.22 119.34 1uro n HIS 220 Ca -0.02 -1.35 -0.03 0.00 -0.26 0.00 0.00 57.72 56.05 1uro n HIS 220 Cb 0.16 -0.60 0.15 0.00 1.12 0.00 0.00 29.99 30.82 1uro n HIS 220 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1uro h ALA 221 N 1.77 1.18 -0.05 -1.41 0.00 -1.57 -3.23 119.26 115.95 1uro h ALA 221 Ca 0.26 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1uro h ALA 221 Cb 2.06 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.57 1uro h ALA 221 CO 0.60 0.59 0.09 0.78 0.00 0.00 0.00 179.25 181.31 1uro h GLY 222 N 1.07 0.00 2.00 0.00 0.00 -1.54 -1.90 103.07 102.70 1uro h GLY 222 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 1uro h GLY 222 CO -0.02 0.00 -0.26 0.45 0.00 0.00 0.00 176.54 176.71 1uro h HIS 223 N 0.00 0.00 -3.38 5.60 3.86 -1.88 -3.43 115.15 115.92 1uro h HIS 223 Ca 0.03 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.69 1uro h HIS 223 Cb 0.21 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.64 1uro h HIS 223 CO 0.00 0.26 -0.08 -0.51 0.86 0.00 0.00 177.93 178.46 1uro s LEU 224 N -7.01 4.28 0.00 2.43 1.43 -0.71 -5.05 118.68 114.05 1uro s LEU 224 Ca -0.00 1.05 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1uro s LEU 224 Cb 0.11 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1uro s LEU 224 CO 0.65 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.88 1uro n GLY 225 N 0.50 1.05 0.22 -3.19 0.00 -1.26 -4.85 105.19 97.66 1uro n GLY 225 Ca -0.03 -1.99 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 1uro n GLY 225 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1uro h PRO 226 N 0.00 -0.21 -0.26 1.61 0.11 -1.97 -1.11 132.00 130.18 1uro h PRO 226 Ca 0.00 0.01 0.02 0.00 0.11 0.00 0.00 66.00 66.15 1uro h PRO 226 Cb 0.00 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 31.13 1uro h PRO 226 CO 0.00 -0.14 0.10 1.96 -0.21 0.00 0.00 178.00 179.71 1uro h GLN 227 N -0.22 0.21 -0.19 1.05 4.20 -1.99 0.15 115.11 118.33 1uro h GLN 227 Ca 0.10 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.64 1uro h GLN 227 Cb 0.37 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 1uro h GLN 227 CO -0.27 0.14 -0.55 -0.07 -0.67 0.00 0.00 178.83 177.41 1uro h LEU 228 N 0.22 0.63 -0.48 1.46 3.38 -1.91 -2.30 115.31 116.31 1uro h LEU 228 Ca 0.11 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1uro h LEU 228 Cb 0.07 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1uro h LEU 228 CO -0.11 1.05 0.26 0.15 0.09 0.00 0.00 178.44 179.89 1uro h PHE 229 N 0.44 0.66 0.00 1.13 3.04 -0.94 0.84 116.94 122.10 1uro h PHE 229 Ca 0.01 -0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1uro h PHE 229 Cb 1.10 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 39.38 1uro h PHE 229 CO 0.05 0.49 -0.41 -0.91 -2.02 0.00 0.00 178.31 175.51 1uro h ASN 230 N 0.63 0.00 0.14 0.41 2.35 -0.92 0.17 115.58 118.36 1uro h ASN 230 Ca 0.17 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.73 1uro h ASN 230 Cb 0.05 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.44 1uro h ASN 230 CO -0.03 0.41 -0.81 0.11 -1.65 0.00 0.00 177.43 175.46 1uro h LYS 231 N 0.00 0.31 0.00 0.81 1.57 -0.97 -3.39 116.57 114.90 1uro h LYS 231 Ca -0.00 -0.51 -0.08 0.00 -1.87 0.00 0.00 60.65 58.18 1uro h LYS 231 Cb 0.76 0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1uro h LYS 231 CO 0.05 1.24 -1.56 1.19 -0.57 0.00 0.00 179.45 179.80 1uro n PHE 232 N -4.12 0.00 -0.11 -1.35 3.72 0.25 -4.71 117.46 111.13 1uro n PHE 232 Ca -0.14 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.08 1uro n PHE 232 Cb 0.82 -0.35 -0.06 0.00 -0.94 0.00 0.00 39.48 38.95 1uro n PHE 232 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1uro n ALA 233 N -2.09 1.07 -0.30 4.37 0.00 -0.16 -4.69 120.51 118.71 1uro n ALA 233 Ca -0.08 -0.93 0.06 0.00 0.00 0.00 0.00 53.44 52.49 1uro n ALA 233 Cb 0.52 0.09 0.22 0.00 0.00 0.00 0.00 19.45 20.28 1uro n ALA 233 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1uro h LEU 234 N -0.98 0.60 -0.80 0.00 5.85 -0.97 -1.74 115.31 117.27 1uro h LEU 234 Ca -0.32 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1uro h LEU 234 Cb 1.27 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1uro h LEU 234 CO -0.19 0.28 0.48 -0.65 -0.34 0.00 0.00 178.44 178.01 1uro h PRO 235 N 0.69 1.10 -0.06 5.25 0.11 -1.82 -0.54 132.00 136.72 1uro h PRO 235 Ca 0.45 -0.10 -0.18 0.00 0.11 0.00 0.00 66.00 66.28 1uro h PRO 235 Cb 0.58 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1uro h PRO 235 CO -0.33 0.78 -0.72 1.88 -0.21 0.00 0.00 178.00 179.40 1uro h TYR 236 N 1.10 0.45 -0.75 0.65 0.05 -1.77 -0.70 116.97 116.01 1uro h TYR 236 Ca 0.29 -0.20 -0.04 0.00 0.05 0.00 0.00 58.73 58.83 1uro h TYR 236 Cb -0.03 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 1uro h TYR 236 CO -0.00 0.94 0.32 0.82 -1.05 0.00 0.00 178.16 179.19 1uro h ILE 237 N 0.23 1.25 -0.42 -2.88 2.04 -0.89 -1.31 117.51 115.52 1uro h ILE 237 Ca -0.03 -0.76 -0.10 0.00 1.00 0.00 0.00 64.86 64.97 1uro h ILE 237 Cb 1.29 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 1uro h ILE 237 CO 0.12 0.31 -0.14 0.03 0.00 0.00 0.00 178.15 178.47 1uro h ARG 238 N 1.07 0.84 -0.52 2.37 3.08 -0.89 -3.09 114.38 117.23 1uro h ARG 238 Ca 0.25 -0.34 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1uro h ARG 238 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1uro h ARG 238 CO -0.02 0.97 0.16 -0.44 -1.07 0.00 0.00 179.97 179.57 1uro h ASP 239 N 0.66 0.71 -0.01 7.04 3.32 -0.84 -1.81 116.42 125.49 1uro h ASP 239 Ca 0.10 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1uro h ASP 239 Cb 0.69 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1uro h ASP 239 CO 0.05 0.68 0.00 0.58 -1.72 0.00 0.00 179.24 178.83 1uro h VAL 240 N 0.76 1.09 -0.60 -1.35 2.07 -1.17 -0.52 116.25 116.53 1uro h VAL 240 Ca 0.17 -0.27 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1uro h VAL 240 Cb 0.23 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 1uro h VAL 240 CO -0.01 0.07 0.18 0.00 0.02 0.00 0.00 177.57 177.83 1uro h ALA 241 N 0.89 0.79 -0.24 1.67 0.00 -1.44 -0.47 119.26 120.46 1uro h ALA 241 Ca 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1uro h ALA 241 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1uro h ALA 241 CO -0.00 0.46 0.09 -0.22 0.00 0.00 0.00 179.25 179.58 1uro h LYS 242 N 0.86 0.36 -0.05 0.00 3.64 -1.21 -2.41 116.57 117.75 1uro h LYS 242 Ca 0.19 -0.07 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 1uro h LYS 242 Cb 0.30 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1uro h LYS 242 CO -0.00 0.42 -0.65 1.96 -2.27 0.00 0.00 179.45 178.90 1uro h GLN 243 N 0.22 0.22 -0.16 1.90 4.20 -0.96 -1.85 115.11 118.69 1uro h GLN 243 Ca 0.08 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.60 1uro h GLN 243 Cb 0.20 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1uro h GLN 243 CO -0.00 0.80 0.01 0.28 -0.67 0.00 0.00 178.83 179.24 1uro h VAL 244 N 0.16 1.24 -0.75 -0.54 2.07 -0.97 -1.22 116.25 116.23 1uro h VAL 244 Ca -0.01 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1uro h VAL 244 Cb 1.18 1.45 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 1uro h VAL 244 CO 0.10 0.23 0.43 0.11 0.02 0.00 0.00 177.57 178.46 1uro h LYS 245 N 0.03 1.04 -0.41 1.57 1.57 -1.40 -1.19 116.57 117.78 1uro h LYS 245 Ca 0.05 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1uro h LYS 245 Cb 0.34 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1uro h LYS 245 CO 0.01 0.76 0.23 0.00 -0.57 0.00 0.00 179.45 179.87 1uro h ALA 246 N 1.22 0.52 -0.45 3.86 0.00 -1.17 -1.34 119.26 121.90 1uro h ALA 246 Ca 0.27 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.96 1uro h ALA 246 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1uro h ALA 246 CO -0.05 0.04 -0.27 0.00 0.00 0.00 0.00 179.25 178.97 1uro h ARG 247 N 0.53 0.98 -0.59 0.00 3.08 -1.00 -1.42 114.38 115.96 1uro h ARG 247 Ca 0.14 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 1uro h ARG 247 Cb 0.04 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.05 1uro h ARG 247 CO -0.02 1.12 0.33 -0.07 -1.07 0.00 0.00 179.97 180.26 1uro h LEU 248 N 0.83 0.74 -0.20 3.04 3.38 -1.05 -1.68 115.31 120.38 1uro h LEU 248 Ca 0.09 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1uro h LEU 248 Cb 0.86 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1uro h LEU 248 CO 0.08 0.62 0.11 0.03 0.09 0.00 0.00 178.44 179.37 1uro h ARG 249 N 0.81 0.22 0.00 1.13 3.08 -1.03 -1.54 114.38 117.04 1uro h ARG 249 Ca 0.21 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1uro h ARG 249 Cb 0.04 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1uro h ARG 249 CO -0.03 0.15 -0.07 0.93 -1.07 0.00 0.00 179.97 179.88 1uro h GLU 250 N 0.23 0.00 -0.01 0.04 5.08 -1.08 -0.11 114.58 118.73 1uro h GLU 250 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1uro h GLU 250 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1uro h GLU 250 CO -0.04 0.07 -0.09 0.00 -1.00 0.00 0.00 179.01 177.94 1uro n ALA 251 N -2.26 2.77 -0.76 3.43 0.00 -0.65 -4.92 120.51 118.12 1uro n ALA 251 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1uro n ALA 251 Cb 0.18 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.37 1uro n ALA 251 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uro n GLY 252 N 1.22 0.71 3.97 0.00 0.00 -0.05 -5.06 105.19 105.98 1uro n GLY 252 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1uro n GLY 252 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uro s LEU 253 N 0.00 4.02 -0.13 0.99 1.43 -0.63 -5.02 118.68 119.35 1uro s LEU 253 Ca 0.00 0.09 -0.24 0.00 -1.03 0.00 0.00 54.13 52.95 1uro s LEU 253 Cb 0.00 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.24 1uro s LEU 253 CO 0.00 -0.35 0.78 0.00 0.23 0.00 0.00 176.35 177.01 1uro s ALA 254 N -2.21 3.44 1.00 4.21 0.00 -1.26 -4.19 121.76 122.75 1uro s ALA 254 Ca 0.41 0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.32 1uro s ALA 254 Cb -0.09 -3.13 0.18 0.00 0.00 0.00 0.00 23.12 20.08 1uro s ALA 254 CO 0.33 -0.45 1.05 -2.30 0.00 0.00 0.00 175.76 174.39 1uro n PRO 255 N 4.70 -1.06 -4.34 0.00 -0.02 -1.26 -4.98 135.00 128.03 1uro n PRO 255 Ca 0.02 -0.25 -0.24 0.00 -2.02 0.00 0.00 63.50 61.01 1uro n PRO 255 Cb 0.50 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 1uro n PRO 255 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1uro s VAL 256 N -2.55 3.15 0.37 -1.45 -7.23 -1.26 -5.09 120.40 106.34 1uro s VAL 256 Ca 0.67 -2.03 -0.27 0.00 -1.81 0.00 0.00 61.98 58.53 1uro s VAL 256 Cb -0.23 -2.67 -0.10 0.00 0.56 0.00 0.00 36.38 33.94 1uro s VAL 256 CO 0.61 -0.36 1.33 -2.16 -0.31 0.00 0.00 175.10 174.20 1uro s PRO 257 N -3.55 4.16 -0.07 4.82 0.04 -1.26 -4.84 135.00 134.30 1uro s PRO 257 Ca 0.30 2.24 0.04 0.00 0.04 0.00 0.00 61.00 63.62 1uro s PRO 257 Cb -0.06 -2.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.54 1uro s PRO 257 CO 0.18 -0.36 -0.21 -1.64 0.04 0.00 0.00 177.00 175.01 1uro s MET 258 N -2.02 2.75 -0.13 4.56 -1.94 -1.26 -1.59 119.30 119.66 1uro s MET 258 Ca 0.53 -0.83 -0.01 0.00 -1.71 0.00 0.00 55.69 53.67 1uro s MET 258 Cb -0.40 -2.29 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 1uro s MET 258 CO 0.53 0.37 -0.11 0.42 -0.01 0.00 0.00 175.02 176.22 1uro s ILE 259 N -0.11 3.28 -0.23 2.53 1.01 0.50 -1.76 121.20 126.44 1uro s ILE 259 Ca -0.04 -0.58 -0.05 0.00 0.00 0.00 0.00 60.65 59.97 1uro s ILE 259 Cb -0.14 -2.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.92 1uro s ILE 259 CO 0.04 0.52 0.01 -0.51 0.00 0.00 0.00 174.94 175.00 1uro s ILE 260 N 0.28 3.88 -0.32 2.92 1.10 -0.57 -0.76 121.20 127.72 1uro s ILE 260 Ca -0.08 -0.32 -0.01 0.00 -0.51 0.00 0.00 60.65 59.73 1uro s ILE 260 Cb -0.15 -2.78 0.07 0.00 0.15 0.00 0.00 42.46 39.75 1uro s ILE 260 CO 0.05 0.39 0.03 0.12 -2.11 0.00 0.00 174.94 173.42 1uro s PHE 261 N 1.40 3.40 -0.56 3.50 5.36 -0.37 -0.34 117.98 130.36 1uro s PHE 261 Ca 0.05 -2.19 -0.10 0.00 -0.96 0.00 0.00 56.93 53.72 1uro s PHE 261 Cb -0.15 -2.42 0.14 0.00 -0.34 0.00 0.00 43.02 40.26 1uro s PHE 261 CO 0.01 -0.87 0.46 0.00 -1.46 0.00 0.00 175.22 173.35 1uro s ALA 262 N 1.16 3.58 0.22 11.12 0.00 -1.26 -0.08 121.76 136.50 1uro s ALA 262 Ca -0.01 -2.77 -0.30 0.00 0.00 0.00 0.00 51.96 48.88 1uro s ALA 262 Cb -0.20 -3.00 -0.10 0.00 0.00 0.00 0.00 23.12 19.82 1uro s ALA 262 CO -0.03 -2.01 1.41 0.21 0.00 0.00 0.00 175.76 175.34 1uro s LYS 263 N 1.01 4.30 -1.93 0.00 2.20 -0.72 -1.46 119.74 123.13 1uro s LYS 263 Ca 0.09 2.23 0.00 0.00 -0.36 0.00 0.00 55.97 57.92 1uro s LYS 263 Cb -0.23 -3.14 0.00 0.00 -1.51 0.00 0.00 37.83 32.94 1uro s LYS 263 CO -0.02 -0.39 0.00 -0.25 -0.36 0.00 0.00 175.35 174.33 1uro n ASP 264 N 2.63 -5.54 -1.96 1.43 8.00 -1.26 -2.21 116.55 117.64 1uro n ASP 264 Ca 0.07 0.27 -0.19 0.00 0.71 0.00 0.00 54.79 55.65 1uro n ASP 264 Cb 0.41 -4.69 0.13 0.00 -0.02 0.00 0.00 41.12 36.95 1uro n ASP 264 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1uro n GLY 265 N -0.74 4.03 0.37 0.44 0.00 -0.54 -3.82 105.19 104.92 1uro n GLY 265 Ca -0.22 -0.93 0.25 0.00 0.00 0.00 0.00 46.02 45.13 1uro n GLY 265 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1uro h HIS 266 N 0.87 0.84 0.00 1.61 2.07 -1.91 0.16 115.15 118.79 1uro h HIS 266 Ca 0.49 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 58.04 1uro h HIS 266 Cb 2.27 -0.22 0.00 0.00 2.57 0.00 0.00 27.41 32.03 1uro h HIS 266 CO 1.21 -0.13 0.00 1.97 -3.07 0.00 0.00 177.93 177.91 1uro n PHE 267 N -4.93 0.01 0.09 6.12 1.16 -1.26 -3.16 117.46 115.49 1uro n PHE 267 Ca 0.31 0.00 0.04 0.00 -1.87 0.00 0.00 57.45 55.93 1uro n PHE 267 Cb 1.02 -0.50 0.06 0.00 -1.61 0.00 0.00 39.48 38.45 1uro n PHE 267 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1uro n ALA 268 N -1.50 2.30 -0.31 1.98 0.00 0.56 -4.74 120.51 118.80 1uro n ALA 268 Ca 0.05 -0.82 0.10 0.00 0.00 0.00 0.00 53.44 52.77 1uro n ALA 268 Cb 0.25 -0.26 0.32 0.00 0.00 0.00 0.00 19.45 19.77 1uro n ALA 268 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1uro h LEU 269 N 1.33 0.77 -0.37 0.00 3.38 -1.50 -0.24 115.31 118.68 1uro h LEU 269 Ca 0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1uro h LEU 269 Cb 0.47 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1uro h LEU 269 CO 0.00 0.40 0.12 -0.08 0.09 0.00 0.00 178.44 178.96 1uro h GLU 270 N 0.82 0.58 -0.30 1.13 4.81 -1.85 -1.29 114.58 118.47 1uro h GLU 270 Ca 0.47 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.43 1uro h GLU 270 Cb 0.62 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 1uro h GLU 270 CO -0.23 0.59 -0.38 0.93 -0.73 0.00 0.00 179.01 179.19 1uro h GLU 271 N 0.45 0.69 -0.76 1.92 4.39 -1.68 -3.11 114.58 116.48 1uro h GLU 271 Ca 0.12 -0.35 -0.02 0.00 0.34 0.00 0.00 59.36 59.45 1uro h GLU 271 Cb 0.25 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.87 1uro h GLU 271 CO -0.00 0.96 0.40 -0.07 -1.16 0.00 0.00 179.01 179.13 1uro h LEU 272 N 0.57 0.95 -0.44 1.33 3.38 -0.91 -1.59 115.31 118.61 1uro h LEU 272 Ca 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1uro h LEU 272 Cb 0.91 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1uro h LEU 272 CO 0.08 0.78 0.00 0.00 0.09 0.00 0.00 178.44 179.39 1uro n ALA 273 N -2.43 1.32 -0.48 1.53 0.00 -0.50 -1.66 120.51 118.30 1uro n ALA 273 Ca 0.08 0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.62 1uro n ALA 273 Cb 0.11 -1.21 0.13 0.00 0.00 0.00 0.00 19.45 18.48 1uro n ALA 273 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1uro n GLN 274 N -1.80 2.59 -0.01 0.00 6.02 -0.63 -4.70 117.38 118.84 1uro n GLN 274 Ca 0.01 -2.15 0.14 0.00 -0.01 0.00 0.00 57.00 54.98 1uro n GLN 274 Cb 0.10 -1.35 0.55 0.00 1.02 0.00 0.00 30.24 30.56 1uro n GLN 274 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1uro n ALA 275 N -0.41 2.58 0.00 -1.58 0.00 -0.66 -4.91 120.51 115.52 1uro n ALA 275 Ca 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.13 1uro n ALA 275 Cb 0.51 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1uro n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uro n GLY 276 N 1.14 1.02 3.69 0.00 0.00 -1.26 -4.49 105.19 105.30 1uro n GLY 276 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.87 1uro n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uro s TYR 277 N -2.00 3.17 0.22 1.61 1.51 -1.26 -4.87 117.35 115.73 1uro s TYR 277 Ca 0.00 0.19 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 1uro s TYR 277 Cb 0.00 -1.77 0.20 0.00 -0.11 0.00 0.00 41.96 40.27 1uro s TYR 277 CO 0.00 0.48 1.54 0.93 -1.11 0.00 0.00 175.55 177.39 1uro h GLU 278 N 4.99 0.39 -5.58 -0.62 3.07 -1.67 -3.45 114.58 111.71 1uro h GLU 278 Ca -0.51 -0.25 -0.56 0.00 -0.50 0.00 0.00 59.36 57.54 1uro h GLU 278 Cb 1.19 0.03 -0.30 0.00 -0.84 0.00 0.00 28.75 28.83 1uro h GLU 278 CO 0.55 0.85 -0.84 0.08 -1.40 0.00 0.00 179.01 178.25 1uro s VAL 279 N -3.89 1.45 -0.23 3.13 1.01 -0.91 -1.38 120.40 119.57 1uro s VAL 279 Ca -0.06 -0.76 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 1uro s VAL 279 Cb 0.12 -1.22 0.01 0.00 0.00 0.00 0.00 36.38 35.29 1uro s VAL 279 CO 0.82 0.41 -0.08 -0.69 0.00 0.00 0.00 175.10 175.56 1uro s VAL 280 N -0.24 2.91 0.25 2.92 1.01 -0.07 -1.51 120.40 125.68 1uro s VAL 280 Ca 0.03 -0.84 -0.15 0.00 0.00 0.00 0.00 61.98 61.02 1uro s VAL 280 Cb -0.09 -2.40 -0.08 0.00 0.00 0.00 0.00 36.38 33.81 1uro s VAL 280 CO 0.01 0.32 0.66 -0.83 0.00 0.00 0.00 175.10 175.26 1uro s GLY 281 N 1.37 2.41 0.11 4.51 0.00 0.54 -1.13 107.32 115.13 1uro s GLY 281 Ca 0.03 -0.02 0.08 0.00 0.00 0.00 0.00 44.72 44.81 1uro s GLY 281 CO -0.05 0.22 -0.20 1.08 0.00 0.00 0.00 173.10 174.14 1uro s LEU 282 N -2.55 2.32 0.66 0.66 1.43 -0.02 -4.10 118.68 117.08 1uro s LEU 282 Ca 0.48 -0.70 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 1uro s LEU 282 Cb -0.13 -0.86 0.05 0.00 0.03 0.00 0.00 46.19 45.28 1uro s LEU 282 CO 0.19 0.04 0.96 1.51 0.23 0.00 0.00 176.35 179.29 1uro s ASP 283 N -1.99 5.01 0.00 2.29 1.47 -1.26 -4.44 116.67 117.75 1uro s ASP 283 Ca 0.07 0.44 0.21 0.00 1.18 0.00 0.00 52.55 54.45 1uro s ASP 283 Cb -0.09 -1.18 1.06 0.00 -0.34 0.00 0.00 42.92 42.36 1uro s ASP 283 CO 0.04 -1.44 1.66 -2.67 0.68 0.00 0.00 175.17 173.44 1uro n TRP 284 N -2.79 0.00 0.50 2.11 2.14 -1.22 -3.29 117.44 114.90 1uro n TRP 284 Ca 0.07 0.00 0.12 0.00 2.07 0.00 0.00 57.50 59.77 1uro n TRP 284 Cb 0.60 -0.27 0.24 0.00 -0.81 0.00 0.00 31.31 31.06 1uro n TRP 284 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1uro h THR 285 N 0.00 0.00 -3.57 -1.67 1.35 -1.93 -3.44 112.91 103.64 1uro h THR 285 Ca 0.00 -0.60 -0.62 0.00 -0.55 0.00 0.00 66.41 64.65 1uro h THR 285 Cb 0.19 1.37 -0.13 0.00 -1.73 0.00 0.00 68.15 67.85 1uro h THR 285 CO 0.00 0.00 0.01 -0.69 -0.25 0.00 0.00 175.52 174.59 1uro s VAL 286 N -3.17 5.05 0.26 6.82 1.01 -1.21 -5.04 120.40 124.13 1uro s VAL 286 Ca 0.07 0.88 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1uro s VAL 286 Cb 0.12 -3.86 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 1uro s VAL 286 CO 0.68 0.05 1.56 0.00 0.00 0.00 0.00 175.10 177.38 1uro s ALA 287 N 2.36 3.73 0.26 5.51 0.00 -1.26 -4.85 121.76 127.51 1uro s ALA 287 Ca 0.22 1.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.65 1uro s ALA 287 Cb -0.16 -3.62 0.55 0.00 0.00 0.00 0.00 23.12 19.89 1uro s ALA 287 CO 0.09 -0.89 1.73 -1.35 0.00 0.00 0.00 175.76 175.35 1uro h PRO 288 N 5.25 0.46 -0.38 0.00 0.11 -1.94 -1.01 132.00 134.49 1uro h PRO 288 Ca -0.46 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.55 1uro h PRO 288 Cb 1.22 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1uro h PRO 288 CO 0.81 0.31 -0.06 0.87 -0.21 0.00 0.00 178.00 179.72 1uro h LYS 289 N 0.48 0.64 -0.28 1.05 1.57 -1.91 -0.17 116.57 117.95 1uro h LYS 289 Ca 0.47 -0.18 -0.16 0.00 -1.87 0.00 0.00 60.65 58.91 1uro h LYS 289 Cb 0.75 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1uro h LYS 289 CO -0.43 0.71 -0.47 0.87 -0.57 0.00 0.00 179.45 179.56 1uro h LYS 290 N 0.60 0.73 -0.71 3.15 1.57 -1.70 -2.26 116.57 117.95 1uro h LYS 290 Ca 0.11 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1uro h LYS 290 Cb 0.47 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1uro h LYS 290 CO 0.02 1.04 0.47 0.00 -0.57 0.00 0.00 179.45 180.41 1uro h ALA 291 N 0.89 0.90 -0.67 3.86 0.00 -0.47 -0.61 119.26 123.15 1uro h ALA 291 Ca 0.03 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1uro h ALA 291 Cb 1.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1uro h ALA 291 CO 0.10 0.32 0.45 -0.09 0.00 0.00 0.00 179.25 180.02 1uro h ARG 292 N 0.96 0.89 -0.39 0.00 9.65 -0.74 -0.21 114.38 124.53 1uro h ARG 292 Ca 0.26 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 1uro h ARG 292 Cb -0.11 -0.20 -0.02 0.00 -1.39 0.00 0.00 29.97 28.25 1uro h ARG 292 CO -0.06 0.59 0.26 0.93 2.80 0.00 0.00 179.97 184.49 1uro h GLU 293 N 0.92 0.52 -0.72 0.20 5.08 -0.92 0.34 114.58 119.99 1uro h GLU 293 Ca 0.25 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1uro h GLU 293 Cb -0.10 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.00 1uro h GLU 293 CO -0.05 0.35 0.29 0.00 -1.00 0.00 0.00 179.01 178.60 1uro h VAL 295 N 1.03 0.76 0.00 0.00 -1.51 -0.82 -3.36 116.25 112.36 1uro h VAL 295 Ca 0.24 -2.36 0.00 0.00 -1.23 0.00 0.00 66.70 63.35 1uro h VAL 295 Cb 0.21 2.27 0.00 0.00 -2.13 0.00 0.00 31.29 31.64 1uro h VAL 295 CO -0.02 0.43 0.00 0.61 -1.23 0.00 0.00 177.57 177.36 1uro n GLY 296 N 1.41 -1.32 0.75 5.19 0.00 0.09 -4.67 105.19 106.64 1uro n GLY 296 Ca -0.09 -2.10 0.08 0.00 0.00 0.00 0.00 46.02 43.91 1uro n GLY 296 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1uro n LYS 297 N 0.00 1.84 -0.08 1.61 2.85 -1.26 -4.65 118.16 118.47 1uro n LYS 297 Ca 0.00 -1.78 -0.08 0.00 -1.05 0.00 0.00 58.31 55.40 1uro n LYS 297 Cb 0.00 -1.34 -0.03 0.00 -0.65 0.00 0.00 35.03 33.00 1uro n LYS 297 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1uro h THR 298 N 3.09 0.19 -4.25 0.58 2.02 -1.97 -3.49 112.91 109.09 1uro h THR 298 Ca 0.00 -1.24 -0.51 0.00 0.77 0.00 0.00 66.41 65.42 1uro h THR 298 Cb 0.74 0.46 0.13 0.00 -1.74 0.00 0.00 68.15 67.74 1uro h THR 298 CO 0.00 0.07 0.34 0.68 0.37 0.00 0.00 175.52 176.98 1uro s VAL 299 N -2.22 3.07 0.04 3.16 -7.23 -1.26 -4.91 120.40 111.04 1uro s VAL 299 Ca -0.17 0.43 -0.13 0.00 -1.81 0.00 0.00 61.98 60.31 1uro s VAL 299 Cb 0.03 -2.90 -0.06 0.00 0.56 0.00 0.00 36.38 34.01 1uro s VAL 299 CO 0.28 -0.37 0.41 -0.89 -0.31 0.00 0.00 175.10 174.22 1uro s THR 300 N -2.54 5.05 0.03 5.32 2.01 -0.48 -4.91 115.64 120.12 1uro s THR 300 Ca 0.66 0.67 -0.00 0.00 0.31 0.00 0.00 61.69 63.32 1uro s THR 300 Cb -0.20 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 1uro s THR 300 CO 0.49 0.43 0.15 -0.76 -0.69 0.00 0.00 174.62 174.24 1uro s LEU 301 N -1.49 4.17 0.00 4.42 1.43 -0.57 -0.89 118.68 125.75 1uro s LEU 301 Ca 0.29 0.22 0.06 0.00 -1.03 0.00 0.00 54.13 53.66 1uro s LEU 301 Cb -0.15 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.42 1uro s LEU 301 CO 0.16 0.22 -0.18 -1.58 0.23 0.00 0.00 176.35 175.20 1uro s GLN 302 N -2.15 1.35 0.00 1.70 0.74 -0.29 -1.13 119.66 119.89 1uro s GLN 302 Ca 0.29 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 55.00 1uro s GLN 302 Cb -0.13 -1.35 0.00 0.00 1.10 0.00 0.00 33.01 32.64 1uro s GLN 302 CO 0.21 0.36 0.00 0.41 -0.55 0.00 0.00 175.29 175.72 1uro n GLY 303 N 2.41 0.87 2.04 2.59 0.00 -0.63 -0.84 105.19 111.64 1uro n GLY 303 Ca -0.16 -1.98 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 1uro n GLY 303 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uro n ASN 304 N 0.05 0.21 -4.76 1.61 6.94 -0.84 -2.08 115.26 116.40 1uro n ASN 304 Ca 0.00 -2.05 -0.41 0.00 -0.02 0.00 0.00 54.58 52.09 1uro n ASN 304 Cb 0.00 -0.01 -0.01 0.00 -2.36 0.00 0.00 39.78 37.40 1uro n ASN 304 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 1uro n LEU 305 N -0.37 4.53 -4.67 -4.53 7.94 -0.98 -3.29 117.00 115.62 1uro n LEU 305 Ca -0.06 1.17 -0.50 0.00 -1.11 0.00 0.00 56.01 55.51 1uro n LEU 305 Cb 0.89 -1.61 -0.05 0.00 0.53 0.00 0.00 43.42 43.18 1uro n LEU 305 CO -0.06 0.19 1.31 -0.67 -1.11 0.00 0.00 177.39 177.06 1uro n ASP 306 N 1.78 2.95 -0.00 1.96 2.03 -1.26 0.10 116.55 124.11 1uro n ASP 306 Ca 0.07 1.04 0.09 0.00 0.52 0.00 0.00 54.79 56.51 1uro n ASP 306 Cb 0.37 -1.32 0.50 0.00 -0.72 0.00 0.00 41.12 39.96 1uro n ASP 306 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1uro h PRO 307 N 7.43 0.37 0.00 -0.67 0.13 -1.89 -0.29 132.00 137.08 1uro h PRO 307 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1uro h PRO 307 Cb 1.28 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1uro h PRO 307 CO 0.91 0.25 0.00 0.00 -0.23 0.00 0.00 178.00 178.93 1uro h ALA 309 N 2.11 1.52 0.00 0.00 0.00 -1.40 -1.02 119.26 120.46 1uro h ALA 309 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uro h ALA 309 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1uro h ALA 309 CO 0.00 -0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.46 1uro n LEU 310 N -3.72 0.00 0.08 0.00 4.77 -0.01 -1.29 117.00 116.84 1uro n LEU 310 Ca -0.02 0.33 0.13 0.00 -0.03 0.00 0.00 56.01 56.42 1uro n LEU 310 Cb 0.14 -0.33 0.33 0.00 -2.33 0.00 0.00 43.42 41.23 1uro n LEU 310 CO 0.26 -0.20 0.70 -1.22 -1.33 0.00 0.00 177.39 175.60 1uro n TYR 311 N -1.33 0.76 -1.53 -1.77 4.01 -0.39 -4.77 117.16 112.14 1uro n TYR 311 Ca 0.05 0.22 -0.29 0.00 -0.16 0.00 0.00 57.90 57.72 1uro n TYR 311 Cb 0.11 -0.82 0.12 0.00 -0.31 0.00 0.00 39.34 38.44 1uro n TYR 311 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1uro s ALA 312 N -3.12 1.94 0.96 -0.72 0.00 -0.41 -5.02 121.76 115.40 1uro s ALA 312 Ca 0.09 -0.38 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 1uro s ALA 312 Cb 0.13 -3.07 0.17 0.00 0.00 0.00 0.00 23.12 20.35 1uro s ALA 312 CO 0.64 -2.07 1.10 -1.54 0.00 0.00 0.00 175.76 173.89 1uro s SER 313 N -3.95 2.65 0.24 0.00 1.04 -1.26 -4.72 113.70 107.69 1uro s SER 313 Ca 0.63 1.85 -0.06 0.00 0.48 0.00 0.00 55.95 58.84 1uro s SER 313 Cb -0.15 -2.42 0.24 0.00 0.10 0.00 0.00 66.02 63.79 1uro s SER 313 CO 0.54 -3.22 1.86 -0.33 0.98 0.00 0.00 173.24 173.08 1uro h GLU 314 N -1.95 1.23 -0.62 4.02 5.08 -1.95 0.91 114.58 121.30 1uro h GLU 314 Ca -0.49 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 57.70 1uro h GLU 314 Cb 1.28 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1uro h GLU 314 CO 0.47 0.90 0.30 1.49 -1.00 0.00 0.00 179.01 181.17 1uro h GLU 315 N 1.24 0.90 -0.43 2.33 4.81 -2.00 -1.05 114.58 120.37 1uro h GLU 315 Ca 0.31 -0.13 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 1uro h GLU 315 Cb 0.03 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1uro h GLU 315 CO -0.05 0.72 -0.20 0.93 -0.73 0.00 0.00 179.01 179.68 1uro h GLU 316 N 0.86 0.85 -0.60 1.92 5.08 -1.66 -2.49 114.58 118.53 1uro h GLU 316 Ca 0.21 -0.34 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1uro h GLU 316 Cb 0.11 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 1uro h GLU 316 CO -0.03 0.98 0.29 0.82 -1.00 0.00 0.00 179.01 180.07 1uro h ILE 317 N 0.75 0.90 -0.70 3.13 2.04 -0.42 -0.07 117.51 123.13 1uro h ILE 317 Ca 0.11 -0.18 0.07 0.00 1.00 0.00 0.00 64.86 65.85 1uro h ILE 317 Cb 0.73 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.06 1uro h ILE 317 CO 0.06 0.10 0.39 1.23 0.00 0.00 0.00 178.15 179.93 1uro h GLY 318 N 0.54 1.04 0.94 5.37 0.00 -0.77 0.11 103.07 110.30 1uro h GLY 318 Ca 0.28 -0.27 -0.09 0.00 0.00 0.00 0.00 47.33 47.25 1uro h GLY 318 CO -0.22 0.15 -0.17 1.46 0.00 0.00 0.00 176.54 177.77 1uro h GLN 319 N 0.71 0.68 -0.84 4.80 4.20 -1.09 -0.11 115.11 123.47 1uro h GLN 319 Ca 0.32 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1uro h GLN 319 Cb 0.22 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.94 1uro h GLN 319 CO -0.20 0.90 0.44 -0.07 -0.67 0.00 0.00 178.83 179.24 1uro h LEU 320 N 0.45 1.06 -0.40 1.46 3.38 -0.66 -0.72 115.31 119.86 1uro h LEU 320 Ca 0.07 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1uro h LEU 320 Cb 0.70 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1uro h LEU 320 CO 0.05 0.86 -0.00 0.58 0.09 0.00 0.00 178.44 180.02 1uro h VAL 321 N 1.18 1.26 -0.64 1.22 2.07 -0.57 -1.08 116.25 119.69 1uro h VAL 321 Ca 0.29 -1.02 0.06 0.00 0.82 0.00 0.00 66.70 66.85 1uro h VAL 321 Cb 0.06 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 1uro h VAL 321 CO -0.04 0.35 0.34 0.50 0.02 0.00 0.00 177.57 178.73 1uro h LYS 322 N 0.55 0.61 -0.61 1.57 3.64 -0.49 -0.34 116.57 121.50 1uro h LYS 322 Ca 0.11 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1uro h LYS 322 Cb 0.49 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1uro h LYS 322 CO 0.02 0.40 0.03 0.37 -2.27 0.00 0.00 179.45 178.00 1uro h GLN 323 N 0.63 1.06 -0.25 1.90 5.75 -1.00 -1.61 115.11 121.59 1uro h GLN 323 Ca 0.29 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1uro h GLN 323 Cb 0.20 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.64 1uro h GLN 323 CO -0.19 1.02 0.13 1.98 -2.65 0.00 0.00 178.83 179.13 1uro h MET 324 N 0.96 0.35 -0.48 1.69 4.05 -0.38 -2.20 114.93 118.91 1uro h MET 324 Ca 0.18 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.53 1uro h MET 324 Cb 0.53 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.24 1uro h MET 324 CO 0.03 0.31 0.18 -0.07 0.23 0.00 0.00 176.91 177.59 1uro h LEU 325 N 0.29 0.63 -1.13 3.39 4.07 -0.92 -1.36 115.31 120.28 1uro h LEU 325 Ca 0.09 -0.08 -0.03 0.00 0.08 0.00 0.00 57.88 57.94 1uro h LEU 325 Cb 0.07 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 1uro h LEU 325 CO -0.01 0.58 0.22 0.44 -1.08 0.00 0.00 178.44 178.59 1uro h ASP 326 N 0.68 0.76 0.15 -0.43 3.32 -1.02 0.21 116.42 120.10 1uro h ASP 326 Ca 0.16 -0.10 -0.23 0.00 0.02 0.00 0.00 57.03 56.88 1uro h ASP 326 Cb 0.16 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.52 1uro h ASP 326 CO -0.01 0.69 -0.93 0.44 -1.72 0.00 0.00 179.24 177.71 1uro h ASP 327 N 0.82 0.71 0.52 6.45 5.19 -0.81 -3.27 116.42 126.04 1uro h ASP 327 Ca 0.19 -0.54 -0.20 0.00 -0.62 0.00 0.00 57.03 55.86 1uro h ASP 327 Cb 0.17 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 1uro h ASP 327 CO -0.02 1.33 -0.89 -0.26 -3.12 0.00 0.00 179.24 176.28 1uro h PHE 328 N 0.33 0.37 0.00 4.55 0.04 -0.95 -3.38 116.94 117.90 1uro h PHE 328 Ca -0.09 -0.20 0.00 0.00 2.80 0.00 0.00 57.97 60.48 1uro h PHE 328 Cb 1.56 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 39.67 1uro h PHE 328 CO 0.08 1.02 0.00 0.41 -0.60 0.00 0.00 178.31 179.22 1uro n GLY 329 N 0.89 -1.33 0.21 -1.45 0.00 0.72 -4.61 105.19 99.62 1uro n GLY 329 Ca -0.04 -1.58 0.01 0.00 0.00 0.00 0.00 46.02 44.40 1uro n GLY 329 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uro n PRO 330 N -1.22 1.13 -4.36 1.61 -0.04 -1.26 -4.80 135.00 126.07 1uro n PRO 330 Ca 0.00 -0.16 -0.24 0.00 -0.04 0.00 0.00 63.50 63.06 1uro n PRO 330 Cb 0.00 -1.17 -0.12 0.00 -0.04 0.00 0.00 33.50 32.17 1uro n PRO 330 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1uro s HIS 331 N -1.72 2.00 -1.34 0.54 3.76 -1.26 -4.83 115.29 112.43 1uro s HIS 331 Ca 0.03 -0.42 -0.16 0.00 -0.15 0.00 0.00 55.06 54.35 1uro s HIS 331 Cb 0.02 -1.01 0.02 0.00 1.11 0.00 0.00 32.58 32.71 1uro s HIS 331 CO 0.02 0.37 0.44 0.54 -0.85 0.00 0.00 174.74 175.25 1uro n ARG 332 N 0.44 -1.07 -3.74 1.40 1.74 -1.26 -4.92 116.66 109.25 1uro n ARG 332 Ca -0.14 0.18 -0.12 0.00 -0.77 0.00 0.00 57.85 56.99 1uro n ARG 332 Cb 0.56 -3.38 -0.12 0.00 -1.02 0.00 0.00 32.46 28.49 1uro n ARG 332 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1uro s TYR 333 N -3.87 -0.34 -0.14 -1.55 5.04 -1.26 -1.51 117.35 113.72 1uro s TYR 333 Ca 0.26 0.80 0.02 0.00 -2.44 0.00 0.00 57.07 55.70 1uro s TYR 333 Cb -0.13 0.08 0.02 0.00 0.35 0.00 0.00 41.96 42.27 1uro s TYR 333 CO 0.95 -0.22 -0.18 0.42 -1.34 0.00 0.00 175.55 175.18 1uro s ILE 334 N 0.98 1.84 0.44 3.14 1.01 -0.28 -4.53 121.20 123.79 1uro s ILE 334 Ca -0.07 -0.83 -0.22 0.00 0.00 0.00 0.00 60.65 59.54 1uro s ILE 334 Cb -0.08 -1.66 -0.09 0.00 0.01 0.00 0.00 42.46 40.64 1uro s ILE 334 CO -0.07 0.51 1.01 0.00 0.00 0.00 0.00 174.94 176.39 1uro s ALA 335 N 1.09 2.99 0.03 9.38 0.00 -0.45 -1.60 121.76 133.20 1uro s ALA 335 Ca -0.02 0.57 -0.28 0.00 0.00 0.00 0.00 51.96 52.23 1uro s ALA 335 Cb -0.14 -3.22 0.10 0.00 0.00 0.00 0.00 23.12 19.85 1uro s ALA 335 CO -0.06 -0.13 1.22 1.21 0.00 0.00 0.00 175.76 178.00 1uro s ASN 336 N -1.91 -0.04 0.80 0.00 3.84 -0.88 -2.79 114.94 113.95 1uro s ASN 336 Ca 0.62 -0.26 -0.10 0.00 0.21 0.00 0.00 52.86 53.33 1uro s ASN 336 Cb -0.16 0.24 0.10 0.00 -0.55 0.00 0.00 41.25 40.88 1uro s ASN 336 CO 0.20 -0.45 1.14 -0.76 -2.79 0.00 0.00 177.10 174.44 1uro s LEU 337 N -3.30 2.70 0.00 3.21 1.43 -1.26 -1.99 118.68 119.46 1uro s LEU 337 Ca 0.20 0.46 0.29 0.00 -1.03 0.00 0.00 54.13 54.05 1uro s LEU 337 Cb 0.02 -2.90 1.33 0.00 0.03 0.00 0.00 46.19 44.67 1uro s LEU 337 CO -0.01 -1.98 1.93 0.61 0.23 0.00 0.00 176.35 177.12 1uro n GLY 338 N -3.24 -1.02 3.86 -3.19 0.00 0.28 -4.40 105.19 97.48 1uro n GLY 338 Ca 0.10 -0.23 -0.05 0.00 0.00 0.00 0.00 46.02 45.84 1uro n GLY 338 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1uro s HIS 339 N -2.47 0.09 0.72 1.61 5.65 -1.26 -4.16 115.29 115.46 1uro s HIS 339 Ca 0.30 -0.57 -0.13 0.00 0.25 0.00 0.00 55.06 54.91 1uro s HIS 339 Cb 0.20 0.74 0.03 0.00 -1.18 0.00 0.00 32.58 32.38 1uro s HIS 339 CO 0.47 -1.11 1.12 0.20 -0.65 0.00 0.00 174.74 174.77 1uro s GLY 340 N -3.32 2.00 0.50 1.59 0.00 -1.26 -4.59 107.32 102.24 1uro s GLY 340 Ca 0.20 0.51 -0.23 0.00 0.00 0.00 0.00 44.72 45.20 1uro s GLY 340 CO 0.07 0.87 1.40 1.08 0.00 0.00 0.00 173.10 176.52 1uro s LEU 341 N -5.35 3.97 0.19 0.66 1.43 -0.75 -4.92 118.68 113.91 1uro s LEU 341 Ca 0.66 2.85 -0.06 0.00 -1.03 0.00 0.00 54.13 56.55 1uro s LEU 341 Cb -0.21 -4.12 -0.06 0.00 0.03 0.00 0.00 46.19 41.83 1uro s LEU 341 CO 0.48 -1.41 0.45 -0.31 0.23 0.00 0.00 176.35 175.78 1uro s TYR 342 N -1.25 3.46 0.59 0.29 2.02 -1.26 -4.91 117.35 116.28 1uro s TYR 342 Ca 0.67 0.67 0.28 0.00 -0.37 0.00 0.00 57.07 58.32 1uro s TYR 342 Cb -0.42 -2.10 1.55 0.00 -0.40 0.00 0.00 41.96 40.59 1uro s TYR 342 CO 0.52 0.35 1.99 -1.35 -1.57 0.00 0.00 175.55 175.50 1uro h PRO 343 N 2.62 0.00 -0.71 -1.71 0.11 -1.95 -1.99 132.00 128.37 1uro h PRO 343 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1uro h PRO 343 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1uro h PRO 343 CO 0.71 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.10 1uro n ASP 344 N -3.78 3.83 -4.81 -2.05 5.75 -1.26 -3.62 116.55 110.60 1uro n ASP 344 Ca 0.05 -2.00 -0.33 0.00 -0.01 0.00 0.00 54.79 52.51 1uro n ASP 344 Cb 0.51 -0.47 -0.01 0.00 -1.03 0.00 0.00 41.12 40.12 1uro n ASP 344 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 1uro s MET 345 N -1.06 3.62 -0.22 0.11 -1.94 -0.75 -5.03 119.30 114.03 1uro s MET 345 Ca 0.48 1.16 -0.19 0.00 -1.71 0.00 0.00 55.69 55.43 1uro s MET 345 Cb 0.25 -2.08 -0.03 0.00 2.01 0.00 0.00 34.83 34.98 1uro s MET 345 CO 0.33 -0.56 0.57 0.34 -0.01 0.00 0.00 175.02 175.68 1uro s ASP 346 N -2.69 6.57 0.39 3.03 -1.08 -1.26 -4.78 116.67 116.85 1uro s ASP 346 Ca 0.63 0.69 0.17 0.00 -0.52 0.00 0.00 52.55 53.52 1uro s ASP 346 Cb -0.14 -2.31 1.05 0.00 -1.46 0.00 0.00 42.92 40.06 1uro s ASP 346 CO 0.31 -0.26 1.80 -0.65 0.52 0.00 0.00 175.17 176.89 1uro h PRO 347 N 7.65 0.43 -0.25 4.34 0.11 -1.96 0.23 132.00 142.56 1uro h PRO 347 Ca -0.31 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.73 1uro h PRO 347 Cb 1.14 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1uro h PRO 347 CO 0.75 0.28 -0.06 0.93 -0.21 0.00 0.00 178.00 179.70 1uro h GLU 348 N 0.44 0.39 -0.03 1.05 4.39 -1.97 -1.17 114.58 117.67 1uro h GLU 348 Ca 0.55 -0.08 -0.14 0.00 0.34 0.00 0.00 59.36 60.02 1uro h GLU 348 Cb 1.32 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1uro h GLU 348 CO -0.26 0.46 -0.63 0.45 -1.16 0.00 0.00 179.01 177.87 1uro h HIS 349 N 0.37 0.17 -0.50 4.33 3.86 -0.87 -1.46 115.15 121.05 1uro h HIS 349 Ca 0.08 -0.07 -0.10 0.00 -1.16 0.00 0.00 60.37 59.12 1uro h HIS 349 Cb 0.34 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 1uro h HIS 349 CO 0.01 0.73 -0.07 0.28 0.86 0.00 0.00 177.93 179.73 1uro h VAL 350 N 0.09 1.27 -0.68 2.45 2.07 -1.00 -1.53 116.25 118.92 1uro h VAL 350 Ca -0.01 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1uro h VAL 350 Cb 1.14 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 1uro h VAL 350 CO 0.09 0.42 0.34 1.23 0.02 0.00 0.00 177.57 179.67 1uro h GLY 351 N 0.79 1.04 1.01 2.17 0.00 -1.10 -1.41 103.07 105.56 1uro h GLY 351 Ca 0.13 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1uro h GLY 351 CO 0.04 0.48 0.66 0.00 0.00 0.00 0.00 176.54 177.72 1uro h ALA 352 N 1.16 1.29 0.10 3.60 0.00 -1.06 -0.75 119.26 123.60 1uro h ALA 352 Ca 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1uro h ALA 352 Cb 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1uro h ALA 352 CO -0.03 0.65 -0.05 0.35 0.00 0.00 0.00 179.25 180.17 1uro h PHE 353 N 1.35 -0.12 -0.23 0.00 3.57 -0.65 -1.35 116.94 119.49 1uro h PHE 353 Ca 0.37 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.89 1uro h PHE 353 Cb -0.14 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.61 1uro h PHE 353 CO -0.00 0.01 0.09 0.28 -2.23 0.00 0.00 178.31 176.46 1uro h VAL 354 N -0.23 0.95 -0.72 1.41 2.07 -0.98 -1.75 116.25 117.00 1uro h VAL 354 Ca -0.01 -0.07 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1uro h VAL 354 Cb 0.19 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1uro h VAL 354 CO 0.02 0.04 0.24 0.44 0.02 0.00 0.00 177.57 178.32 1uro h ASP 355 N 0.20 1.02 -0.63 0.57 3.32 -1.09 -2.66 116.42 117.15 1uro h ASP 355 Ca 0.10 -0.18 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 1uro h ASP 355 Cb 0.06 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 1uro h ASP 355 CO -0.10 0.94 0.10 0.00 -1.72 0.00 0.00 179.24 178.46 1uro h ALA 356 N 1.19 0.96 -0.46 3.45 0.00 -0.90 0.23 119.26 123.73 1uro h ALA 356 Ca 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1uro h ALA 356 Cb 0.28 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1uro h ALA 356 CO -0.01 0.65 0.20 0.28 0.00 0.00 0.00 179.25 180.37 1uro h VAL 357 N 0.99 1.20 -0.01 0.00 2.07 -1.06 -0.12 116.25 119.32 1uro h VAL 357 Ca 0.20 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1uro h VAL 357 Cb 0.43 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1uro h VAL 357 CO 0.01 0.22 0.00 0.45 0.02 0.00 0.00 177.57 178.28 1uro h HIS 358 N 0.61 0.01 0.58 1.57 -0.00 -1.25 -0.90 115.15 115.78 1uro h HIS 358 Ca 0.16 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.50 1uro h HIS 358 Cb 0.16 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.57 1uro h HIS 358 CO -0.00 0.23 -0.31 -0.22 -0.00 0.00 0.00 177.93 177.63 1uro h LYS 359 N -0.21 -0.79 -0.09 2.45 3.64 -0.89 -2.76 116.57 117.92 1uro h LYS 359 Ca 0.00 0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 1uro h LYS 359 Cb 0.22 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1uro h LYS 359 CO 0.00 -0.53 -0.34 0.45 -2.27 0.00 0.00 179.45 176.76 1uro h HIS 360 N -0.82 0.20 -0.11 1.91 3.86 -1.05 -2.47 115.15 116.66 1uro h HIS 360 Ca -0.08 -0.04 -0.09 0.00 -1.16 0.00 0.00 60.37 59.00 1uro h HIS 360 Cb 0.64 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 1uro h HIS 360 CO -0.06 0.50 -0.35 0.66 0.86 0.00 0.00 177.93 179.54 1uro h SER 361 N 0.16 0.23 -0.15 2.45 4.64 -1.12 -1.30 113.55 118.46 1uro h SER 361 Ca 0.02 -0.08 -0.12 0.00 -0.47 0.00 0.00 61.79 61.13 1uro h SER 361 Cb 0.68 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1uro h SER 361 CO 0.05 0.57 -0.39 0.03 -0.87 0.00 0.00 176.83 176.22 1uro h ARG 362 N 0.19 0.53 -0.76 4.77 3.08 -1.27 -3.11 114.38 117.82 1uro h ARG 362 Ca 0.02 -0.37 0.01 0.00 0.07 0.00 0.00 59.98 59.71 1uro h ARG 362 Cb 0.72 0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.79 1uro h ARG 362 CO 0.05 0.99 0.49 -0.07 -1.07 0.00 0.00 179.97 180.36 1uro h LEU 363 N 0.16 0.87 0.00 3.04 3.38 -1.30 -1.45 115.31 120.02 1uro h LEU 363 Ca -0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1uro h LEU 363 Cb 1.00 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1uro h LEU 363 CO 0.08 0.64 0.00 -0.11 0.09 0.00 0.00 178.44 179.14 1uro n LEU 364 N -4.41 0.00 -0.02 1.67 7.94 -0.50 -3.09 117.00 118.59 1uro n LEU 364 Ca 0.08 0.24 -0.00 0.00 -1.11 0.00 0.00 56.01 55.22 1uro n LEU 364 Cb 0.04 -0.24 -0.04 0.00 0.53 0.00 0.00 43.42 43.71 1uro n LEU 364 CO 0.36 -0.11 -0.62 0.54 -1.11 0.00 0.00 177.39 176.45 1uro n ARG 365 N -1.24 1.97 0.00 1.96 1.74 -0.62 -4.91 116.66 115.56 1uro n ARG 365 Ca 0.09 -0.02 0.05 0.00 -0.77 0.00 0.00 57.85 57.20 1uro n ARG 365 Cb 0.12 -1.13 0.04 0.00 -1.02 0.00 0.00 32.46 30.48 1uro n ARG 365 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05