#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uwk n LYS 6 N 0.00 1.14 -4.83 1.20 4.01 -1.26 -0.42 118.16 118.00 1uwk n LYS 6 Ca 0.00 -0.02 -0.27 0.00 -0.51 0.00 0.00 58.31 57.51 1uwk n LYS 6 Cb 0.00 -1.45 -0.17 0.00 -0.51 0.00 0.00 35.03 32.91 1uwk n LYS 6 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 1uwk s TYR 7 N -2.46 1.87 -0.05 2.13 5.04 -1.26 -4.16 117.35 118.47 1uwk s TYR 7 Ca -0.09 -0.72 -0.01 0.00 -2.44 0.00 0.00 57.07 53.81 1uwk s TYR 7 Cb 0.05 -1.31 0.03 0.00 0.35 0.00 0.00 41.96 41.09 1uwk s TYR 7 CO 0.71 -0.32 0.03 0.50 -1.34 0.00 0.00 175.55 175.14 1uwk s ARG 8 N 0.51 0.16 -1.35 4.97 3.52 -0.28 -5.01 118.95 121.46 1uwk s ARG 8 Ca -0.16 0.25 -0.14 0.00 -0.13 0.00 0.00 55.73 55.55 1uwk s ARG 8 Cb -0.16 -0.61 0.08 0.00 -1.56 0.00 0.00 34.95 32.70 1uwk s ARG 8 CO 0.06 -0.28 1.94 -3.47 -0.81 0.00 0.00 175.30 172.73 1uwk n ASP 9 N 5.00 4.54 -3.92 -2.12 4.64 -1.26 -4.55 116.55 118.88 1uwk n ASP 9 Ca -0.09 -2.92 -0.10 0.00 -1.38 0.00 0.00 54.79 50.29 1uwk n ASP 9 Cb 0.50 -1.65 -0.12 0.00 -1.04 0.00 0.00 41.12 38.81 1uwk n ASP 9 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1uwk s VAL 10 N 2.88 0.06 -0.22 5.18 0.11 -1.26 -5.13 120.40 122.03 1uwk s VAL 10 Ca 0.47 -0.53 -0.10 0.00 -2.93 0.00 0.00 61.98 58.89 1uwk s VAL 10 Cb 0.08 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.68 1uwk s VAL 10 CO -0.01 -0.29 0.15 -1.61 -3.33 0.00 0.00 175.10 170.01 1uwk s GLU 11 N -0.87 4.12 -0.07 1.54 2.02 -1.26 -4.72 118.70 119.46 1uwk s GLU 11 Ca -0.10 -0.24 0.03 0.00 0.02 0.00 0.00 54.97 54.68 1uwk s GLU 11 Cb -0.06 -3.49 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 1uwk s GLU 11 CO -0.00 0.16 -0.14 0.42 0.02 0.00 0.00 175.26 175.72 1uwk s ILE 12 N 0.76 3.09 0.03 -1.63 1.01 -1.26 -5.06 121.20 118.13 1uwk s ILE 12 Ca 0.08 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1uwk s ILE 12 Cb -0.12 -2.23 -0.02 0.00 0.01 0.00 0.00 42.46 40.09 1uwk s ILE 12 CO 0.02 0.58 -0.03 -0.13 0.00 0.00 0.00 174.94 175.37 1uwk s ARG 13 N -0.49 0.39 0.32 2.79 0.52 -1.26 -3.32 118.95 117.89 1uwk s ARG 13 Ca 0.06 -0.74 -0.29 0.00 -0.52 0.00 0.00 55.73 54.25 1uwk s ARG 13 Cb -0.12 0.09 -0.11 0.00 0.52 0.00 0.00 34.95 35.33 1uwk s ARG 13 CO 0.02 -0.05 1.44 0.00 0.02 0.00 0.00 175.30 176.73 1uwk s ALA 14 N -1.90 3.60 0.44 2.13 0.00 -1.26 -4.82 121.76 119.94 1uwk s ALA 14 Ca -0.11 1.42 -0.22 0.00 0.00 0.00 0.00 51.96 53.05 1uwk s ALA 14 Cb -0.07 -3.57 -0.12 0.00 0.00 0.00 0.00 23.12 19.37 1uwk s ALA 14 CO -0.02 -0.85 0.63 -2.30 0.00 0.00 0.00 175.76 173.22 1uwk n PRO 15 N 1.34 0.70 -4.22 0.00 -0.02 -1.26 -5.00 135.00 126.54 1uwk n PRO 15 Ca 0.03 0.26 -0.27 0.00 -2.02 0.00 0.00 63.50 61.51 1uwk n PRO 15 Cb 0.40 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 1uwk n PRO 15 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1uwk s ARG 16 N -1.73 2.21 2.31 -0.52 1.81 -1.26 -4.87 118.95 116.90 1uwk s ARG 16 Ca 0.64 -1.99 0.00 0.00 -1.72 0.00 0.00 55.73 52.66 1uwk s ARG 16 Cb -0.58 -1.91 0.00 0.00 -0.45 0.00 0.00 34.95 32.02 1uwk s ARG 16 CO 0.57 -0.25 0.00 0.41 -0.68 0.00 0.00 175.30 175.35 1uwk n GLY 17 N -1.33 -0.45 0.58 -3.53 0.00 0.45 -4.42 105.19 96.49 1uwk n GLY 17 Ca -0.04 -1.08 0.11 0.00 0.00 0.00 0.00 46.02 45.01 1uwk n GLY 17 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1uwk n ASN 18 N -1.58 2.20 -4.72 1.61 3.02 -1.26 -4.58 115.26 109.95 1uwk n ASN 18 Ca 0.00 -1.60 -0.42 0.00 -0.03 0.00 0.00 54.58 52.53 1uwk n ASN 18 Cb 0.00 0.38 -0.04 0.00 -0.61 0.00 0.00 39.78 39.51 1uwk n ASN 18 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1uwk s LYS 19 N -2.32 4.58 0.16 3.52 2.20 -1.26 -5.04 119.74 121.58 1uwk s LYS 19 Ca 0.20 1.54 -0.07 0.00 -0.36 0.00 0.00 55.97 57.28 1uwk s LYS 19 Cb 0.18 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 33.05 1uwk s LYS 19 CO 0.50 0.00 0.43 -0.51 -0.36 0.00 0.00 175.35 175.41 1uwk s LEU 20 N 0.53 4.25 -0.08 5.43 1.43 -1.26 -4.95 118.68 124.04 1uwk s LEU 20 Ca 0.51 0.71 0.08 0.00 -1.03 0.00 0.00 54.13 54.40 1uwk s LEU 20 Cb -0.24 -3.36 -0.11 0.00 0.03 0.00 0.00 46.19 42.50 1uwk s LEU 20 CO 0.30 0.04 0.05 0.35 0.23 0.00 0.00 176.35 177.31 1uwk n THR 21 N 0.14 0.55 -2.03 5.49 -2.24 -1.26 -5.02 114.28 109.91 1uwk n THR 21 Ca -0.02 -0.36 -0.28 0.00 -2.27 0.00 0.00 64.05 61.11 1uwk n THR 21 Cb 0.52 -0.65 0.15 0.00 -2.10 0.00 0.00 70.33 68.24 1uwk n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uwk s ALA 22 N -2.26 2.59 -0.82 6.98 0.00 -1.26 -4.90 121.76 122.08 1uwk s ALA 22 Ca -0.04 -1.13 0.27 0.00 0.00 0.00 0.00 51.96 51.05 1uwk s ALA 22 Cb 0.03 -2.70 0.88 0.00 0.00 0.00 0.00 23.12 21.33 1uwk s ALA 22 CO 0.37 -2.06 1.76 1.63 0.00 0.00 0.00 175.76 177.46 1uwk n LYS 23 N -3.48 0.17 -3.84 0.00 5.02 -1.24 -4.85 118.16 109.93 1uwk n LYS 23 Ca 0.13 0.13 -0.08 0.00 -2.02 0.00 0.00 58.31 56.47 1uwk n LYS 23 Cb 0.60 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.90 1uwk n LYS 23 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1uwk s SER 24 N -3.96 -0.26 0.44 4.39 1.04 -1.26 -5.02 113.70 109.07 1uwk s SER 24 Ca 0.11 -0.60 0.23 0.00 0.48 0.00 0.00 55.95 56.17 1uwk s SER 24 Cb 0.15 0.70 1.01 0.00 0.10 0.00 0.00 66.02 67.98 1uwk s SER 24 CO 0.59 -1.30 1.88 -0.50 0.98 0.00 0.00 173.24 174.90 1uwk h TRP 25 N 2.03 0.00 0.00 5.02 4.06 -1.98 0.11 115.95 125.20 1uwk h TRP 25 Ca -0.21 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.73 1uwk h TRP 25 Cb 1.25 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.41 1uwk h TRP 25 CO 0.41 0.24 -0.04 -0.07 -3.56 0.00 0.00 178.44 175.42 1uwk h LEU 26 N 0.00 0.00 0.00 -4.49 3.38 -1.98 -0.95 115.31 111.27 1uwk h LEU 26 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1uwk h LEU 26 Cb 0.64 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1uwk h LEU 26 CO 0.03 0.04 -1.97 0.35 0.09 0.00 0.00 178.44 176.98 1uwk n THR 27 N -3.16 0.75 -0.13 0.22 -2.24 -0.99 -4.26 114.28 104.48 1uwk n THR 27 Ca 0.00 -0.57 -0.01 0.00 -2.27 0.00 0.00 64.05 61.20 1uwk n THR 27 Cb 0.32 -0.39 0.25 0.00 -2.10 0.00 0.00 70.33 68.41 1uwk n THR 27 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1uwk h GLU 28 N 0.00 0.81 0.18 -0.78 4.57 -0.74 -3.06 114.58 115.56 1uwk h GLU 28 Ca -0.30 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 57.76 1uwk h GLU 28 Cb 1.61 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.05 1uwk h GLU 28 CO 0.02 0.65 -0.08 0.00 -1.18 0.00 0.00 179.01 178.41 1uwk h ALA 29 N 1.47 -0.24 -0.16 2.92 0.00 -1.35 0.39 119.26 122.30 1uwk h ALA 29 Ca 0.20 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1uwk h ALA 29 Cb 0.12 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1uwk h ALA 29 CO -0.02 -0.57 -0.10 -1.00 0.00 0.00 0.00 179.25 177.56 1uwk h PRO 30 N -0.37 0.24 -0.22 0.00 0.13 -1.76 -0.40 132.00 129.62 1uwk h PRO 30 Ca -0.02 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 1uwk h PRO 30 Cb 0.29 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 1uwk h PRO 30 CO 0.04 0.35 0.14 1.25 -0.23 0.00 0.00 178.00 179.55 1uwk h LEU 31 N 0.23 0.26 -0.63 1.56 6.46 -1.34 -0.15 115.31 121.70 1uwk h LEU 31 Ca 0.05 -0.02 -0.14 0.00 -0.12 0.00 0.00 57.88 57.65 1uwk h LEU 31 Cb 0.32 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1uwk h LEU 31 CO 0.02 0.20 -0.39 0.03 -0.62 0.00 0.00 178.44 177.68 1uwk h ARG 32 N 0.29 0.63 -0.00 1.25 3.08 -0.52 -2.52 114.38 116.59 1uwk h ARG 32 Ca 0.08 -0.32 -0.17 0.00 0.07 0.00 0.00 59.98 59.64 1uwk h ARG 32 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1uwk h ARG 32 CO -0.02 0.92 -0.79 0.52 -1.07 0.00 0.00 179.97 179.54 1uwk h MET 33 N 0.52 0.06 -0.23 0.04 2.86 -0.89 0.81 114.93 118.09 1uwk h MET 33 Ca 0.05 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 1uwk h MET 33 Cb 0.91 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 32.57 1uwk h MET 33 CO 0.08 0.81 0.14 1.25 1.06 0.00 0.00 176.91 180.25 1uwk h LEU 34 N 0.03 0.22 -0.84 1.22 5.85 -1.00 -1.05 115.31 119.74 1uwk h LEU 34 Ca -0.02 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 1uwk h LEU 34 Cb 1.38 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1uwk h LEU 34 CO 0.11 0.16 0.00 0.24 -0.34 0.00 0.00 178.44 178.61 1uwk h MET 35 N 0.28 0.87 -0.47 1.25 2.86 -1.17 -2.57 114.93 115.99 1uwk h MET 35 Ca 0.09 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 1uwk h MET 35 Cb -0.01 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1uwk h MET 35 CO -0.04 0.87 0.09 -0.97 1.06 0.00 0.00 176.91 177.91 1uwk h ASN 36 N 0.81 0.68 0.07 1.22 -1.24 -0.63 -1.19 115.58 115.30 1uwk h ASN 36 Ca 0.15 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.04 1uwk h ASN 36 Cb 0.48 -0.18 -0.00 0.00 0.73 0.00 0.00 38.32 39.35 1uwk h ASN 36 CO 0.02 0.69 -0.01 0.78 -1.29 0.00 0.00 177.43 177.62 1uwk h ASN 37 N 0.70 0.00 -0.34 1.15 4.21 -0.77 -1.79 115.58 118.75 1uwk h ASN 37 Ca 0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.66 1uwk h ASN 37 Cb 0.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.50 1uwk h ASN 37 CO 0.00 0.01 0.00 0.18 -1.29 0.00 0.00 177.43 176.33 1uwk n LEU 38 N -3.41 3.12 -4.77 1.61 4.77 -0.49 -4.25 117.00 113.58 1uwk n LEU 38 Ca -0.03 -1.56 -0.41 0.00 -0.03 0.00 0.00 56.01 53.98 1uwk n LEU 38 Cb 0.10 -0.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1uwk n LEU 38 CO 0.24 0.70 1.18 -0.62 -1.33 0.00 0.00 177.39 177.55 1uwk s ASP 39 N -1.25 6.34 0.65 -1.43 3.68 -0.67 -4.41 116.67 119.58 1uwk s ASP 39 Ca 0.32 3.03 0.41 0.00 2.13 0.00 0.00 52.55 58.44 1uwk s ASP 39 Cb 0.18 -2.66 2.27 0.00 -1.45 0.00 0.00 42.92 41.27 1uwk s ASP 39 CO 0.25 -0.90 2.34 -0.65 0.13 0.00 0.00 175.17 176.35 1uwk h PRO 40 N 3.60 0.00 -0.00 4.34 0.11 -1.89 0.62 132.00 138.77 1uwk h PRO 40 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1uwk h PRO 40 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uwk h PRO 40 CO 0.69 0.00 -0.33 0.94 -0.21 0.00 0.00 178.00 179.09 1uwk n GLN 41 N -3.28 0.27 -0.08 1.05 7.27 -1.26 -4.41 117.38 116.95 1uwk n GLN 41 Ca -0.03 -0.14 -0.17 0.00 0.07 0.00 0.00 57.00 56.74 1uwk n GLN 41 Cb 0.08 -1.50 -0.06 0.00 2.41 0.00 0.00 30.24 31.17 1uwk n GLN 41 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 1uwk n VAL 42 N -1.25 0.85 -3.43 1.69 0.31 0.05 -4.60 118.33 111.96 1uwk n VAL 42 Ca 0.08 -0.22 -0.32 0.00 -0.01 0.00 0.00 64.34 63.88 1uwk n VAL 42 Cb 0.33 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.50 1uwk n VAL 42 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1uwk s ALA 43 N -2.28 3.58 0.14 3.52 0.00 -0.27 -4.50 121.76 121.94 1uwk s ALA 43 Ca -0.22 -0.28 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 1uwk s ALA 43 Cb 0.08 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.73 1uwk s ALA 43 CO 0.27 0.51 1.45 0.93 0.00 0.00 0.00 175.76 178.92 1uwk h GLU 44 N 2.61 0.90 -0.72 0.00 4.39 -1.11 -3.41 114.58 117.24 1uwk h GLU 44 Ca -0.47 -0.52 -0.33 0.00 0.34 0.00 0.00 59.36 58.38 1uwk h GLU 44 Cb 1.17 0.04 -0.24 0.00 -0.10 0.00 0.00 28.75 29.62 1uwk h GLU 44 CO 0.69 1.17 -0.71 -1.71 -1.16 0.00 0.00 179.01 177.28 1uwk n ASN 45 N -4.03 -1.35 0.16 1.42 5.15 -0.35 -5.01 115.26 111.25 1uwk n ASN 45 Ca -0.03 -3.38 0.13 0.00 -0.60 0.00 0.00 54.58 50.70 1uwk n ASN 45 Cb 0.59 1.01 0.54 0.00 -0.53 0.00 0.00 39.78 41.38 1uwk n ASN 45 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1uwk h PRO 46 N 3.23 0.00 0.00 1.20 0.13 -1.75 -1.95 132.00 132.86 1uwk h PRO 46 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1uwk h PRO 46 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1uwk h PRO 46 CO 0.29 0.00 0.00 0.87 -0.23 0.00 0.00 178.00 178.93 1uwk h LYS 47 N 0.00 0.00 -0.43 0.86 1.57 -1.84 -1.34 116.57 115.39 1uwk h LYS 47 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1uwk h LYS 47 Cb 0.33 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 1uwk h LYS 47 CO 0.00 0.00 0.06 0.39 -0.57 0.00 0.00 179.45 179.33 1uwk n GLU 48 N -2.71 2.93 -0.92 3.15 1.02 -0.80 -1.13 120.64 122.18 1uwk n GLU 48 Ca 0.02 -3.00 0.00 0.00 -0.02 0.00 0.00 57.16 54.15 1uwk n GLU 48 Cb 0.30 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.77 1uwk n GLU 48 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1uwk n LEU 49 N -0.54 0.38 -4.67 -4.62 4.77 -0.51 -4.92 117.00 106.89 1uwk n LEU 49 Ca 0.30 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.88 1uwk n LEU 49 Cb 1.08 -0.97 -0.05 0.00 -2.33 0.00 0.00 43.42 41.15 1uwk n LEU 49 CO 0.25 -0.30 0.47 -0.69 -1.33 0.00 0.00 177.39 175.78 1uwk s VAL 50 N -2.14 4.97 -0.19 4.08 1.01 -0.81 -1.77 120.40 125.56 1uwk s VAL 50 Ca 0.00 1.40 -0.15 0.00 0.00 0.00 0.00 61.98 63.23 1uwk s VAL 50 Cb 0.00 -4.03 -0.08 0.00 0.00 0.00 0.00 36.38 32.27 1uwk s VAL 50 CO 0.00 0.10 -0.20 0.52 0.00 0.00 0.00 175.10 175.52 1uwk n VAL 51 N 4.54 1.48 -3.84 2.92 0.31 0.25 -1.20 118.33 122.79 1uwk n VAL 51 Ca 0.01 0.05 -0.06 0.00 -0.01 0.00 0.00 64.34 64.33 1uwk n VAL 51 Cb 0.50 -2.24 0.02 0.00 -0.91 0.00 0.00 33.84 31.21 1uwk n VAL 51 CO 0.00 0.00 0.00 -0.72 -1.32 0.00 0.00 176.83 174.79 1uwk s TYR 52 N -2.53 0.09 -0.71 3.52 1.13 -1.21 -0.95 117.35 116.70 1uwk s TYR 52 Ca -0.26 -0.64 -0.00 0.00 -1.41 0.00 0.00 57.07 54.76 1uwk s TYR 52 Cb 0.05 0.78 -0.00 0.00 -1.10 0.00 0.00 41.96 41.69 1uwk s TYR 52 CO 0.39 -1.28 0.59 0.41 -2.51 0.00 0.00 175.55 173.16 1uwk n GLY 53 N -0.60 -0.06 7.00 5.49 0.00 -1.26 -2.18 105.19 113.57 1uwk n GLY 53 Ca -0.06 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1uwk n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uwk n GLY 54 N -1.10 2.20 2.23 -0.02 0.00 -1.26 -3.64 105.19 103.60 1uwk n GLY 54 Ca -0.16 -0.45 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 1uwk n GLY 54 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1uwk n ILE 55 N 0.00 3.10 -2.23 -0.61 -5.35 -1.26 -4.91 119.36 108.10 1uwk n ILE 55 Ca 0.00 -3.65 -0.43 0.00 -0.27 0.00 0.00 62.75 58.41 1uwk n ILE 55 Cb 0.00 -1.16 -0.02 0.00 -1.74 0.00 0.00 39.64 36.72 1uwk n ILE 55 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1uwk s GLY 56 N -2.64 1.48 0.24 3.28 0.00 -0.93 -4.37 107.32 104.38 1uwk s GLY 56 Ca 0.58 0.57 0.10 0.00 0.00 0.00 0.00 44.72 45.96 1uwk s GLY 56 CO -0.01 2.79 -0.11 0.50 0.00 0.00 0.00 173.10 176.26 1uwk s ARG 57 N 4.01 1.96 0.09 2.90 0.52 -0.08 -0.58 118.95 127.77 1uwk s ARG 57 Ca 0.64 -1.51 0.16 0.00 -0.52 0.00 0.00 55.73 54.50 1uwk s ARG 57 Cb -0.25 -2.00 -0.11 0.00 0.52 0.00 0.00 34.95 33.11 1uwk s ARG 57 CO 0.23 0.37 0.92 0.00 0.02 0.00 0.00 175.30 176.85 1uwk h ALA 58 N 2.37 0.65 -2.74 2.13 0.00 -1.46 -2.61 119.26 117.61 1uwk h ALA 58 Ca -0.44 -0.82 -0.05 0.00 0.00 0.00 0.00 54.91 53.60 1uwk h ALA 58 Cb 1.24 0.22 -0.13 0.00 0.00 0.00 0.00 17.79 19.12 1uwk h ALA 58 CO 0.58 0.91 -0.08 0.00 0.00 0.00 0.00 179.25 180.66 1uwk s ALA 59 N -2.91 -0.92 0.19 0.00 0.00 -1.26 -4.72 121.76 112.13 1uwk s ALA 59 Ca -0.02 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 1uwk s ALA 59 Cb 0.09 0.67 0.10 0.00 0.00 0.00 0.00 23.12 23.97 1uwk s ALA 59 CO 0.80 -0.63 1.69 -0.09 0.00 0.00 0.00 175.76 177.53 1uwk h ARG 60 N 2.41 1.09 -2.76 0.00 2.43 -1.13 -3.47 114.38 112.94 1uwk h ARG 60 Ca -0.34 -0.28 0.08 0.00 -0.81 0.00 0.00 59.98 58.63 1uwk h ARG 60 Cb 1.25 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1uwk h ARG 60 CO 0.47 0.99 0.39 0.54 -1.51 0.00 0.00 179.97 180.84 1uwk s ASN 61 N -6.44 -0.07 0.32 -3.80 2.20 -1.26 -4.95 114.94 100.94 1uwk s ASN 61 Ca -0.12 -0.81 0.15 0.00 -0.94 0.00 0.00 52.86 51.13 1uwk s ASN 61 Cb 0.14 0.68 0.50 0.00 -2.00 0.00 0.00 41.25 40.56 1uwk s ASN 61 CO 0.84 -1.32 1.66 -0.50 -2.94 0.00 0.00 177.10 174.85 1uwk h TRP 62 N 2.00 0.00 -0.67 1.54 4.06 -1.08 -0.57 115.95 121.23 1uwk h TRP 62 Ca -0.27 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.63 1uwk h TRP 62 Cb 1.24 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.37 1uwk h TRP 62 CO 1.06 0.50 0.24 1.49 -3.56 0.00 0.00 178.44 178.17 1uwk h GLU 63 N 0.00 1.02 -0.52 0.49 4.81 -1.98 -0.87 114.58 117.53 1uwk h GLU 63 Ca -0.01 -0.20 -0.10 0.00 -0.13 0.00 0.00 59.36 58.93 1uwk h GLU 63 Cb 1.02 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 1uwk h GLU 63 CO 0.07 0.87 -0.06 0.00 -0.73 0.00 0.00 179.01 179.16 1uwk h TYR 65 N 0.83 -0.85 -0.89 0.00 5.03 -0.89 0.11 116.97 120.32 1uwk h TYR 65 Ca 0.14 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.52 1uwk h TYR 65 Cb 0.60 0.37 -0.05 0.00 1.55 0.00 0.00 36.73 39.20 1uwk h TYR 65 CO 0.04 -0.41 0.59 -0.44 -1.32 0.00 0.00 178.16 176.62 1uwk h ASP 66 N -0.50 0.94 0.22 -2.11 3.32 -0.97 -1.10 116.42 116.23 1uwk h ASP 66 Ca 0.05 -0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.93 1uwk h ASP 66 Cb 0.55 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1uwk h ASP 66 CO -0.22 0.64 -0.62 0.50 -1.72 0.00 0.00 179.24 177.81 1uwk h LYS 67 N 1.09 0.39 -0.33 3.56 1.63 -0.88 -0.41 116.57 121.62 1uwk h LYS 67 Ca 0.36 -0.27 -0.01 0.00 -0.85 0.00 0.00 60.65 59.89 1uwk h LYS 67 Cb 0.07 0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 1uwk h LYS 67 CO -0.12 0.89 0.18 0.82 -3.45 0.00 0.00 179.45 177.77 1uwk h ILE 68 N 0.29 1.14 -0.31 2.00 2.04 -0.21 0.15 117.51 122.60 1uwk h ILE 68 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1uwk h ILE 68 Cb 1.16 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 1uwk h ILE 68 CO 0.11 0.14 0.20 0.58 0.00 0.00 0.00 178.15 179.17 1uwk h VAL 69 N 0.41 1.09 -0.81 1.67 2.07 -1.01 0.19 116.25 119.87 1uwk h VAL 69 Ca 0.11 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.50 1uwk h VAL 69 Cb 0.06 0.66 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1uwk h VAL 69 CO -0.02 0.09 0.50 -0.08 0.02 0.00 0.00 177.57 178.08 1uwk h GLU 70 N 0.41 0.91 -0.15 1.57 4.81 -0.97 -0.90 114.58 120.26 1uwk h GLU 70 Ca 0.11 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 1uwk h GLU 70 Cb -0.03 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.16 1uwk h GLU 70 CO -0.02 0.60 -0.55 1.15 -0.73 0.00 0.00 179.01 179.46 1uwk h THR 71 N 0.94 1.33 -1.00 0.32 2.02 -0.56 -2.84 112.91 113.12 1uwk h THR 71 Ca 0.34 -1.82 0.06 0.00 0.77 0.00 0.00 66.41 65.77 1uwk h THR 71 Cb 0.11 2.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.49 1uwk h THR 71 CO -0.15 0.56 0.65 -0.07 0.37 0.00 0.00 175.52 176.88 1uwk h LEU 72 N 0.30 1.03 -1.76 2.58 3.38 -0.88 -1.24 115.31 118.72 1uwk h LEU 72 Ca -0.03 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1uwk h LEU 72 Cb 1.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1uwk h LEU 72 CO 0.12 0.66 -0.03 0.74 0.09 0.00 0.00 178.44 180.02 1uwk h THR 73 N 1.17 1.08 -0.01 0.22 2.02 -0.94 -2.93 112.91 113.52 1uwk h THR 73 Ca 0.43 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1uwk h THR 73 Cb 0.16 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 1uwk h THR 73 CO -0.17 0.10 -0.46 -2.11 0.37 0.00 0.00 175.52 173.25 1uwk n ARG 74 N -4.43 1.43 -1.75 6.66 1.85 -0.85 -3.71 116.66 115.85 1uwk n ARG 74 Ca -0.02 -0.77 -0.42 0.00 -1.00 0.00 0.00 57.85 55.65 1uwk n ARG 74 Cb 0.15 -1.36 -0.02 0.00 -1.05 0.00 0.00 32.46 30.18 1uwk n ARG 74 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1uwk s LEU 75 N -2.32 4.36 0.70 2.89 2.96 -0.53 -4.97 118.68 121.77 1uwk s LEU 75 Ca 0.14 2.92 -0.06 0.00 -0.22 0.00 0.00 54.13 56.91 1uwk s LEU 75 Cb 0.15 -3.62 0.06 0.00 0.50 0.00 0.00 46.19 43.28 1uwk s LEU 75 CO 0.51 -0.95 1.01 -1.61 -1.32 0.00 0.00 176.35 173.99 1uwk s GLU 76 N 0.32 2.22 0.18 1.98 0.41 -1.26 -4.60 118.70 117.96 1uwk s GLU 76 Ca 0.69 -0.26 0.25 0.00 -0.41 0.00 0.00 54.97 55.24 1uwk s GLU 76 Cb -0.49 -2.18 0.90 0.00 -1.78 0.00 0.00 34.13 30.58 1uwk s GLU 76 CO 0.40 -1.21 1.76 -0.40 -0.49 0.00 0.00 175.26 175.32 1uwk n ASP 77 N -2.90 0.62 -0.76 -0.19 5.68 -1.26 -1.98 116.55 115.76 1uwk n ASP 77 Ca 0.08 0.59 0.09 0.00 -0.50 0.00 0.00 54.79 55.05 1uwk n ASP 77 Cb 0.60 -0.74 0.24 0.00 -1.14 0.00 0.00 41.12 40.08 1uwk n ASP 77 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1uwk n ASP 78 N -2.11 3.63 -4.62 -1.12 5.75 -1.26 -3.71 116.55 113.11 1uwk n ASP 78 Ca 0.05 -3.04 -0.30 0.00 -0.01 0.00 0.00 54.79 51.49 1uwk n ASP 78 Cb 0.34 -0.53 -0.09 0.00 -1.03 0.00 0.00 41.12 39.81 1uwk n ASP 78 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1uwk s GLU 79 N -2.85 2.32 -0.10 0.11 2.02 -0.84 -0.52 118.70 118.84 1uwk s GLU 79 Ca 0.41 -0.94 0.02 0.00 0.02 0.00 0.00 54.97 54.48 1uwk s GLU 79 Cb 0.33 -2.41 0.02 0.00 0.10 0.00 0.00 34.13 32.17 1uwk s GLU 79 CO 0.08 0.52 -0.13 0.99 0.02 0.00 0.00 175.26 176.74 1uwk s THR 80 N -1.25 1.33 -0.02 3.63 2.01 0.28 -4.64 115.64 116.98 1uwk s THR 80 Ca 0.23 -0.54 -0.24 0.00 0.31 0.00 0.00 61.69 61.45 1uwk s THR 80 Cb -0.11 -1.23 -0.04 0.00 0.01 0.00 0.00 72.50 71.12 1uwk s THR 80 CO 0.15 0.41 0.72 -0.22 -0.69 0.00 0.00 174.62 174.99 1uwk s LEU 81 N 1.02 4.38 -0.21 4.42 2.96 -0.21 -1.10 118.68 129.93 1uwk s LEU 81 Ca -0.07 1.29 -0.14 0.00 -0.22 0.00 0.00 54.13 55.00 1uwk s LEU 81 Cb -0.15 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 1uwk s LEU 81 CO -0.01 -0.05 0.30 -0.76 -1.32 0.00 0.00 176.35 174.50 1uwk s LEU 82 N 0.39 4.16 -0.19 -0.68 1.43 0.25 -0.70 118.68 123.35 1uwk s LEU 82 Ca 0.38 0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 53.83 1uwk s LEU 82 Cb -0.19 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.67 1uwk s LEU 82 CO 0.20 0.01 -0.07 -0.69 0.23 0.00 0.00 176.35 176.03 1uwk s VAL 83 N 1.04 3.31 -0.28 -1.59 1.01 -0.05 -1.21 120.40 122.63 1uwk s VAL 83 Ca 0.15 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1uwk s VAL 83 Cb -0.14 -2.47 0.05 0.00 0.00 0.00 0.00 36.38 33.83 1uwk s VAL 83 CO 0.06 0.46 -0.05 -1.58 0.00 0.00 0.00 175.10 173.98 1uwk s GLN 84 N 1.07 2.34 -1.15 2.72 -0.44 0.15 -0.91 119.66 123.44 1uwk s GLN 84 Ca 0.01 -1.30 -0.22 0.00 -2.50 0.00 0.00 55.36 51.34 1uwk s GLN 84 Cb -0.15 -3.04 0.03 0.00 -1.64 0.00 0.00 33.01 28.21 1uwk s GLN 84 CO -0.01 -0.60 0.42 0.43 0.50 0.00 0.00 175.29 176.04 1uwk n SER 85 N 4.53 -2.30 -0.26 6.67 7.64 0.33 -1.52 113.62 128.71 1uwk n SER 85 Ca -0.14 -1.14 -0.03 0.00 1.01 0.00 0.00 58.87 58.57 1uwk n SER 85 Cb 0.43 -1.38 -0.01 0.00 -1.01 0.00 0.00 64.21 62.23 1uwk n SER 85 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1uwk n GLY 86 N -2.09 0.63 3.23 0.23 0.00 -1.26 -4.24 105.19 101.69 1uwk n GLY 86 Ca -0.15 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 1uwk n GLY 86 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1uwk s LYS 87 N -1.70 2.91 -0.69 1.61 2.20 -0.58 -0.75 119.74 122.75 1uwk s LYS 87 Ca 0.00 -0.88 -0.26 0.00 -0.36 0.00 0.00 55.97 54.46 1uwk s LYS 87 Cb 0.00 -2.26 0.04 0.00 -1.51 0.00 0.00 37.83 34.10 1uwk s LYS 87 CO 0.00 0.23 1.20 -1.25 -0.36 0.00 0.00 175.35 175.17 1uwk s PRO 88 N 0.21 3.24 -0.11 4.03 0.04 -1.26 -0.67 135.00 140.48 1uwk s PRO 88 Ca -0.15 -0.25 0.19 0.00 0.04 0.00 0.00 61.00 60.84 1uwk s PRO 88 Cb -0.17 -4.15 -0.27 0.00 0.04 0.00 0.00 34.50 29.95 1uwk s PRO 88 CO 0.08 -1.98 0.31 1.33 0.04 0.00 0.00 177.00 176.77 1uwk n VAL 89 N 6.35 0.86 -3.51 -0.36 0.24 -0.35 -5.01 118.33 116.56 1uwk n VAL 89 Ca 0.03 -0.71 -0.14 0.00 -2.04 0.00 0.00 64.34 61.48 1uwk n VAL 89 Cb 0.48 -0.32 -0.05 0.00 -1.47 0.00 0.00 33.84 32.48 1uwk n VAL 89 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1uwk s GLY 90 N -5.05 -0.52 -0.12 7.63 0.00 -1.23 -5.01 107.32 103.02 1uwk s GLY 90 Ca -0.08 1.22 0.02 0.00 0.00 0.00 0.00 44.72 45.88 1uwk s GLY 90 CO 0.86 0.72 -0.17 0.14 0.00 0.00 0.00 173.10 174.65 1uwk s VAL 91 N -1.97 1.67 0.09 1.40 1.01 -1.26 -0.58 120.40 120.76 1uwk s VAL 91 Ca -0.05 -0.74 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1uwk s VAL 91 Cb -0.00 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1uwk s VAL 91 CO 0.01 0.47 -0.16 -0.36 0.00 0.00 0.00 175.10 175.07 1uwk s PHE 92 N 0.94 1.40 0.03 5.22 0.40 -0.26 -4.93 117.98 120.78 1uwk s PHE 92 Ca -0.07 -0.46 -0.30 0.00 -0.60 0.00 0.00 56.93 55.50 1uwk s PHE 92 Cb -0.15 -0.77 -0.05 0.00 0.51 0.00 0.00 43.02 42.56 1uwk s PHE 92 CO -0.02 0.11 1.16 0.21 0.70 0.00 0.00 175.22 177.38 1uwk s LYS 93 N -1.92 4.44 0.00 0.44 2.20 -1.26 -0.55 119.74 123.09 1uwk s LYS 93 Ca 0.02 1.68 0.00 0.00 -0.36 0.00 0.00 55.97 57.31 1uwk s LYS 93 Cb -0.09 -3.41 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1uwk s LYS 93 CO 0.03 -0.25 0.00 0.25 -0.36 0.00 0.00 175.35 175.01 1uwk n THR 94 N 4.06 0.00 -3.82 3.43 -2.24 0.32 -4.93 114.28 111.11 1uwk n THR 94 Ca 0.09 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.81 1uwk n THR 94 Cb 0.47 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.69 1uwk n THR 94 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1uwk s HIS 95 N 2.42 -0.14 -0.37 4.78 -3.43 -1.24 -4.87 115.29 112.43 1uwk s HIS 95 Ca 0.00 -0.26 0.26 0.00 -0.80 0.00 0.00 55.06 54.26 1uwk s HIS 95 Cb 0.00 0.69 1.03 0.00 -1.43 0.00 0.00 32.58 32.87 1uwk s HIS 95 CO 0.00 -1.08 1.78 0.66 -2.00 0.00 0.00 174.74 174.10 1uwk h SER 96 N 2.00 0.00 -0.67 7.38 4.64 -1.88 -2.18 113.55 122.84 1uwk h SER 96 Ca -0.22 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 1uwk h SER 96 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1uwk h SER 96 CO 0.25 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.80 1uwk n ASN 97 N -2.48 3.64 -4.97 4.97 3.02 -1.26 -4.90 115.26 113.29 1uwk n ASN 97 Ca 0.02 -2.02 -0.21 0.00 -0.03 0.00 0.00 54.58 52.34 1uwk n ASN 97 Cb 0.28 -0.46 0.02 0.00 -0.61 0.00 0.00 39.78 39.01 1uwk n ASN 97 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uwk s ALA 98 N -1.12 3.93 0.53 5.41 0.00 -0.82 -3.83 121.76 125.85 1uwk s ALA 98 Ca 0.45 -1.24 -0.21 0.00 0.00 0.00 0.00 51.96 50.96 1uwk s ALA 98 Cb 0.24 -2.01 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1uwk s ALA 98 CO 0.30 -0.41 1.25 -2.14 0.00 0.00 0.00 175.76 174.76 1uwk s PRO 99 N -4.53 3.33 0.33 0.00 0.02 -1.16 -4.87 135.00 128.12 1uwk s PRO 99 Ca 0.51 1.95 0.17 0.00 0.02 0.00 0.00 61.00 63.65 1uwk s PRO 99 Cb -0.10 -2.23 0.20 0.00 0.02 0.00 0.00 34.50 32.40 1uwk s PRO 99 CO 0.36 -0.95 1.51 0.00 -0.33 0.00 0.00 177.00 177.60 1uwk h ARG 100 N 1.53 0.00 -4.02 5.54 2.47 -1.01 -3.43 114.38 115.46 1uwk h ARG 100 Ca -0.50 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 57.87 1uwk h ARG 100 Cb 1.28 0.00 -0.32 0.00 -1.65 0.00 0.00 29.97 29.28 1uwk h ARG 100 CO 0.58 0.38 -0.75 0.08 0.56 0.00 0.00 179.97 180.81 1uwk s VAL 101 N -3.08 0.35 -0.14 2.04 1.01 -1.14 -1.05 120.40 118.39 1uwk s VAL 101 Ca 0.04 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1uwk s VAL 101 Cb 0.07 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.10 1uwk s VAL 101 CO 0.72 0.15 -0.20 -0.76 0.00 0.00 0.00 175.10 175.00 1uwk s LEU 102 N 0.50 2.21 -0.08 3.92 1.43 0.12 -2.12 118.68 124.66 1uwk s LEU 102 Ca -0.05 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.52 1uwk s LEU 102 Cb -0.09 -1.47 -0.00 0.00 0.03 0.00 0.00 46.19 44.66 1uwk s LEU 102 CO -0.01 0.09 -0.22 -0.63 0.23 0.00 0.00 176.35 175.82 1uwk s ILE 103 N 0.76 1.83 -0.12 -0.59 1.01 0.14 -0.87 121.20 123.36 1uwk s ILE 103 Ca -0.08 -0.91 -0.02 0.00 0.00 0.00 0.00 60.65 59.64 1uwk s ILE 103 Cb -0.16 -1.58 0.04 0.00 0.01 0.00 0.00 42.46 40.77 1uwk s ILE 103 CO -0.00 0.51 0.02 0.00 0.00 0.00 0.00 174.94 175.47 1uwk s ALA 104 N 0.25 0.77 -0.06 9.38 0.00 -0.09 -0.69 121.76 131.33 1uwk s ALA 104 Ca -0.13 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.53 1uwk s ALA 104 Cb -0.16 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.04 1uwk s ALA 104 CO 0.06 -0.77 -0.19 -0.80 0.00 0.00 0.00 175.76 174.06 1uwk s ASN 105 N 1.95 2.36 -0.11 0.00 0.01 -0.72 -0.51 114.94 117.92 1uwk s ASN 105 Ca 0.03 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.78 1uwk s ASN 105 Cb -0.14 -0.76 0.00 0.00 0.41 0.00 0.00 41.25 40.75 1uwk s ASN 105 CO -0.06 0.15 0.00 -1.20 -1.51 0.00 0.00 177.10 174.48 1uwk n SER 106 N 3.25 -4.08 -4.71 -1.22 7.64 -1.24 -2.26 113.62 111.01 1uwk n SER 106 Ca -0.19 0.03 -0.42 0.00 1.01 0.00 0.00 58.87 59.30 1uwk n SER 106 Cb 0.53 -1.67 -0.03 0.00 -1.01 0.00 0.00 64.21 62.03 1uwk n SER 106 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1uwk s ASN 107 N -2.12 7.01 -0.02 6.43 0.01 -1.26 -4.51 114.94 120.48 1uwk s ASN 107 Ca 0.00 2.04 0.04 0.00 -0.71 0.00 0.00 52.86 54.22 1uwk s ASN 107 Cb 0.00 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 1uwk s ASN 107 CO 0.00 -0.55 -0.13 -0.76 -1.51 0.00 0.00 177.10 174.15 1uwk s LEU 108 N 1.45 1.96 0.22 0.60 1.43 -1.26 -5.07 118.68 118.01 1uwk s LEU 108 Ca 0.60 -0.24 -0.32 0.00 -1.03 0.00 0.00 54.13 53.14 1uwk s LEU 108 Cb -0.30 -0.69 -0.14 0.00 0.03 0.00 0.00 46.19 45.09 1uwk s LEU 108 CO 0.28 0.14 1.38 0.52 0.23 0.00 0.00 176.35 178.89 1uwk n VAL 109 N 2.92 0.85 -0.34 -1.59 0.31 -1.26 -4.61 118.33 114.61 1uwk n VAL 109 Ca -0.15 -0.21 0.08 0.00 -0.01 0.00 0.00 64.34 64.04 1uwk n VAL 109 Cb 0.55 -1.36 0.24 0.00 -0.91 0.00 0.00 33.84 32.36 1uwk n VAL 109 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1uwk h PRO 110 N 4.21 0.82 0.00 5.55 0.11 -1.99 0.27 132.00 140.97 1uwk h PRO 110 Ca -0.45 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1uwk h PRO 110 Cb 1.29 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1uwk h PRO 110 CO 0.76 0.54 -0.01 1.25 -0.21 0.00 0.00 178.00 180.34 1uwk h HIS 111 N 0.85 0.00 -0.50 0.65 2.76 -2.04 -0.94 115.15 115.93 1uwk h HIS 111 Ca 0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 1uwk h HIS 111 Cb 0.58 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1uwk h HIS 111 CO -0.03 0.01 0.00 0.91 -1.30 0.00 0.00 177.93 177.52 1uwk n TRP 112 N -3.15 0.78 -2.85 5.26 8.01 0.06 -4.89 117.44 120.66 1uwk n TRP 112 Ca -0.02 -0.54 -0.44 0.00 -1.31 0.00 0.00 57.50 55.19 1uwk n TRP 112 Cb 0.13 -0.06 -0.00 0.00 -2.01 0.00 0.00 31.31 29.36 1uwk n TRP 112 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1uwk s ALA 113 N -1.22 3.79 0.14 6.99 0.00 -0.36 -4.63 121.76 126.48 1uwk s ALA 113 Ca 0.36 -3.21 -0.15 0.00 0.00 0.00 0.00 51.96 48.96 1uwk s ALA 113 Cb 0.20 -4.25 0.03 0.00 0.00 0.00 0.00 23.12 19.10 1uwk s ALA 113 CO 0.22 -2.92 0.40 0.54 0.00 0.00 0.00 175.76 174.00 1uwk s ASN 114 N 3.23 -0.18 0.37 0.00 2.20 -1.26 -3.15 114.94 116.14 1uwk s ASN 114 Ca 0.45 -0.43 0.09 0.00 -0.94 0.00 0.00 52.86 52.02 1uwk s ASN 114 Cb -0.01 0.48 0.72 0.00 -2.00 0.00 0.00 41.25 40.44 1uwk s ASN 114 CO 0.01 -0.89 1.88 -0.50 -2.94 0.00 0.00 177.10 174.67 1uwk h TRP 115 N 2.38 0.28 -0.52 1.54 4.06 -1.90 -1.38 115.95 120.42 1uwk h TRP 115 Ca -0.33 -0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.58 1uwk h TRP 115 Cb 1.25 -0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 29.31 1uwk h TRP 115 CO 0.35 0.42 0.29 0.93 -3.56 0.00 0.00 178.44 176.86 1uwk h GLU 116 N 0.25 0.72 -0.15 0.49 3.07 -1.97 0.16 114.58 117.15 1uwk h GLU 116 Ca 0.05 -0.08 -0.18 0.00 -0.50 0.00 0.00 59.36 58.65 1uwk h GLU 116 Cb 0.43 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1uwk h GLU 116 CO 0.03 0.55 -0.65 1.25 -1.40 0.00 0.00 179.01 178.78 1uwk h HIS 117 N 0.69 0.74 -0.49 4.33 2.76 -1.77 -1.56 115.15 119.85 1uwk h HIS 117 Ca 0.18 -0.30 0.08 0.00 -2.20 0.00 0.00 60.37 58.13 1uwk h HIS 117 Cb 0.04 -0.13 -0.06 0.00 1.55 0.00 0.00 27.41 28.81 1uwk h HIS 117 CO -0.02 1.06 0.14 0.35 -1.30 0.00 0.00 177.93 178.16 1uwk h PHE 118 N 0.41 0.23 -0.12 5.26 3.04 -0.91 -1.18 116.94 123.68 1uwk h PHE 118 Ca -0.02 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 61.85 1uwk h PHE 118 Cb 1.23 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 1uwk h PHE 118 CO 0.05 0.05 -0.41 -0.91 -2.02 0.00 0.00 178.31 175.07 1uwk h ASN 119 N 0.29 0.27 -0.47 0.41 2.35 -0.42 0.32 115.58 118.33 1uwk h ASN 119 Ca 0.24 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1uwk h ASN 119 Cb 0.29 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1uwk h ASN 119 CO -0.28 0.66 0.29 -0.33 -1.65 0.00 0.00 177.43 176.11 1uwk h GLU 120 N 0.22 0.63 -0.43 0.81 5.08 -0.74 -0.93 114.58 119.21 1uwk h GLU 120 Ca 0.02 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1uwk h GLU 120 Cb 0.82 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1uwk h GLU 120 CO 0.06 0.46 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.37 1uwk h LEU 121 N 0.62 0.75 -0.49 1.33 3.38 -0.66 -2.98 115.31 117.28 1uwk h LEU 121 Ca 0.17 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1uwk h LEU 121 Cb -0.01 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1uwk h LEU 121 CO -0.03 0.88 0.26 -0.78 0.09 0.00 0.00 178.44 178.86 1uwk h ASP 122 N 0.70 0.61 0.07 -0.43 1.82 0.00 0.39 116.42 119.59 1uwk h ASP 122 Ca 0.12 -0.10 -0.00 0.00 -0.39 0.00 0.00 57.03 56.66 1uwk h ASP 122 Cb 0.57 -0.16 -0.00 0.00 0.68 0.00 0.00 39.33 40.42 1uwk h ASP 122 CO 0.04 0.54 -0.02 0.00 -1.61 0.00 0.00 179.24 178.19 1uwk h ALA 123 N 1.10 1.37 -0.14 -0.78 0.00 -1.04 -0.02 119.26 119.75 1uwk h ALA 123 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1uwk h ALA 123 Cb 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1uwk h ALA 123 CO -0.03 0.02 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1uwk n LYS 124 N -3.64 1.76 -1.14 0.00 5.02 -0.64 -4.94 118.16 114.58 1uwk n LYS 124 Ca -0.03 -1.13 -0.02 0.00 -2.02 0.00 0.00 58.31 55.10 1uwk n LYS 124 Cb 0.11 -1.42 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 1uwk n LYS 124 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1uwk n GLY 125 N 1.16 0.53 0.68 0.72 0.00 -0.02 -4.95 105.19 103.32 1uwk n GLY 125 Ca 0.17 -0.97 0.06 0.00 0.00 0.00 0.00 46.02 45.29 1uwk n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uwk n LEU 126 N -0.27 2.81 -4.02 0.99 4.77 0.03 -5.01 117.00 116.30 1uwk n LEU 126 Ca -0.02 -1.73 -0.08 0.00 -0.03 0.00 0.00 56.01 54.15 1uwk n LEU 126 Cb 0.11 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 1uwk n LEU 126 CO 0.03 0.67 -0.35 0.00 -1.33 0.00 0.00 177.39 176.41 1uwk s ALA 127 N -1.02 0.28 -0.24 -1.18 0.00 -1.25 -4.84 121.76 113.52 1uwk s ALA 127 Ca 0.24 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 51.19 1uwk s ALA 127 Cb 0.13 0.21 0.07 0.00 0.00 0.00 0.00 23.12 23.53 1uwk s ALA 127 CO 0.18 -0.26 0.59 1.41 0.00 0.00 0.00 175.76 177.67 1uwk s MET 128 N -2.61 0.61 -0.23 0.00 1.75 -1.26 -4.80 119.30 112.75 1uwk s MET 128 Ca -0.05 1.02 -0.24 0.00 -1.25 0.00 0.00 55.69 55.17 1uwk s MET 128 Cb -0.02 0.12 -0.01 0.00 2.84 0.00 0.00 34.83 37.77 1uwk s MET 128 CO -0.05 -0.14 0.82 -0.47 -0.65 0.00 0.00 175.02 174.52 1uwk s TYR 129 N 1.34 3.32 -1.45 4.11 5.04 -1.26 -3.66 117.35 124.79 1uwk s TYR 129 Ca -0.08 1.13 0.27 0.00 -2.44 0.00 0.00 57.07 55.95 1uwk s TYR 129 Cb -0.06 -3.03 0.87 0.00 0.35 0.00 0.00 41.96 40.10 1uwk s TYR 129 CO -0.14 -0.37 1.65 0.41 -1.34 0.00 0.00 175.55 175.75 1uwk n GLY 130 N 3.74 -0.97 7.00 8.97 0.00 -1.26 -0.91 105.19 121.76 1uwk n GLY 130 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1uwk n GLY 130 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1uwk n GLN 131 N -1.05 0.00 -0.03 1.61 1.13 -1.26 -1.09 117.38 116.69 1uwk n GLN 131 Ca 0.11 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 55.14 1uwk n GLN 131 Cb 0.32 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.66 1uwk n GLN 131 CO 0.00 0.00 0.00 -1.33 -1.44 0.00 0.00 177.06 174.29 1uwk n MET 132 N 14.00 0.17 0.00 -1.09 2.81 -1.26 -4.17 117.12 127.58 1uwk n MET 132 Ca 0.00 0.10 0.12 0.00 -1.81 0.00 0.00 57.70 56.11 1uwk n MET 132 Cb 0.00 -0.84 0.11 0.00 -0.71 0.00 0.00 33.22 31.78 1uwk n MET 132 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1uwk n THR 133 N -3.13 0.00 0.09 2.03 -2.24 -1.26 -4.15 114.28 105.63 1uwk n THR 133 Ca -0.04 -0.42 -0.13 0.00 -2.27 0.00 0.00 64.05 61.19 1uwk n THR 133 Cb 0.16 1.35 -0.08 0.00 -2.10 0.00 0.00 70.33 69.66 1uwk n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1uwk h ALA 134 N 4.46 -0.26 -0.00 6.98 0.00 -1.80 -2.27 119.26 126.37 1uwk h ALA 134 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1uwk h ALA 134 Cb 0.90 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1uwk h ALA 134 CO 0.00 -0.46 -0.10 0.41 0.00 0.00 0.00 179.25 179.11 1uwk n GLY 135 N -0.17 -1.20 0.08 0.00 0.00 -0.25 -3.59 105.19 100.06 1uwk n GLY 135 Ca -0.09 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.76 1uwk n GLY 135 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uwk n SER 136 N -1.23 2.19 -2.89 1.61 3.41 -1.22 -4.93 113.62 110.56 1uwk n SER 136 Ca 0.12 -2.27 -0.13 0.00 -0.26 0.00 0.00 58.87 56.32 1uwk n SER 136 Cb 0.29 -0.13 0.07 0.00 -0.26 0.00 0.00 64.21 64.18 1uwk n SER 136 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1uwk n TRP 137 N -0.64 -1.70 -2.22 7.33 8.01 -0.87 -4.91 117.44 122.43 1uwk n TRP 137 Ca 0.05 0.73 0.00 0.00 -1.31 0.00 0.00 57.50 56.97 1uwk n TRP 137 Cb 0.37 -4.40 -0.01 0.00 -2.01 0.00 0.00 31.31 25.26 1uwk n TRP 137 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.69 178.19 1uwk n ILE 138 N -3.43 0.00 -2.88 -0.99 0.13 -1.12 -4.58 119.36 106.49 1uwk n ILE 138 Ca -0.23 -0.45 -0.40 0.00 -1.10 0.00 0.00 62.75 60.57 1uwk n ILE 138 Cb 0.63 0.67 -0.05 0.00 -0.84 0.00 0.00 39.64 40.05 1uwk n ILE 138 CO 0.00 0.00 0.00 -0.47 2.80 0.00 0.00 176.55 178.88 1uwk s TYR 139 N 0.00 3.84 -0.29 9.51 5.04 -1.23 -4.87 117.35 129.34 1uwk s TYR 139 Ca 0.15 1.67 0.12 0.00 -2.44 0.00 0.00 57.07 56.58 1uwk s TYR 139 Cb 0.18 -2.90 0.47 0.00 0.35 0.00 0.00 41.96 40.06 1uwk s TYR 139 CO -0.08 0.34 1.15 0.44 -1.34 0.00 0.00 175.55 176.06 1uwk n ILE 140 N 2.32 2.05 -4.36 3.14 -5.35 -1.26 -4.61 119.36 111.30 1uwk n ILE 140 Ca -0.02 -3.80 0.00 0.00 -0.27 0.00 0.00 62.75 58.66 1uwk n ILE 140 Cb 0.49 -0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.11 1uwk n ILE 140 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1uwk n GLY 141 N -0.63 -0.51 0.14 3.28 0.00 -1.26 -3.58 105.19 102.62 1uwk n GLY 141 Ca 0.30 -1.11 0.12 0.00 0.00 0.00 0.00 46.02 45.34 1uwk n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1uwk n SER 142 N -0.98 0.72 0.23 1.61 7.64 -1.26 -2.56 113.62 119.02 1uwk n SER 142 Ca 0.00 0.67 0.07 0.00 1.01 0.00 0.00 58.87 60.62 1uwk n SER 142 Cb 0.00 -0.82 0.56 0.00 -1.01 0.00 0.00 64.21 62.93 1uwk n SER 142 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1uwk h GLN 143 N 0.00 0.00 -0.66 1.43 4.15 -1.90 -2.84 115.11 115.29 1uwk h GLN 143 Ca 0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1uwk h GLN 143 Cb 0.39 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.04 1uwk h GLN 143 CO 0.00 0.16 0.44 0.78 -1.93 0.00 0.00 178.83 178.28 1uwk h GLY 144 N 0.54 0.79 0.00 2.39 0.00 -1.66 -2.77 103.07 102.36 1uwk h GLY 144 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1uwk h GLY 144 CO 0.02 0.17 -1.12 4.51 0.00 0.00 0.00 176.54 180.11 1uwk n ILE 145 N -4.48 0.00 -0.08 2.60 3.06 -1.10 -4.65 119.36 114.71 1uwk n ILE 145 Ca 0.10 -0.15 -0.03 0.00 -2.50 0.00 0.00 62.75 60.17 1uwk n ILE 145 Cb 0.29 0.77 0.21 0.00 0.54 0.00 0.00 39.64 41.45 1uwk n ILE 145 CO 0.00 0.00 0.00 1.62 -2.50 0.00 0.00 176.55 175.67 1uwk h VAL 146 N 0.00 1.22 -0.15 9.51 3.04 -1.26 -0.90 116.25 127.72 1uwk h VAL 146 Ca 0.00 -0.88 -0.14 0.00 -1.01 0.00 0.00 66.70 64.67 1uwk h VAL 146 Cb 0.55 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 1uwk h VAL 146 CO 0.00 0.31 -0.51 -0.61 -1.01 0.00 0.00 177.57 175.76 1uwk h GLN 147 N 0.68 0.42 -0.30 4.17 4.15 -1.83 -0.19 115.11 122.20 1uwk h GLN 147 Ca 0.14 -0.24 -0.11 0.00 0.77 0.00 0.00 58.65 59.21 1uwk h GLN 147 Cb 0.37 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.07 1uwk h GLN 147 CO 0.01 0.83 -0.26 0.78 -1.93 0.00 0.00 178.83 178.26 1uwk h GLY 148 N 1.20 0.65 1.05 2.39 0.00 -1.51 0.29 103.07 107.14 1uwk h GLY 148 Ca 0.01 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 1uwk h GLY 148 CO 0.09 0.51 -0.11 -0.84 0.00 0.00 0.00 176.54 176.18 1uwk h THR 149 N 0.52 1.27 -0.26 4.70 2.02 -1.08 -1.02 112.91 119.06 1uwk h THR 149 Ca 0.07 -1.25 -0.00 0.00 0.77 0.00 0.00 66.41 66.00 1uwk h THR 149 Cb 0.73 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.19 1uwk h THR 149 CO 0.06 0.43 0.16 0.22 0.37 0.00 0.00 175.52 176.76 1uwk h TYR 150 N 0.79 0.35 -0.11 3.16 3.20 -0.60 -1.43 116.97 122.33 1uwk h TYR 150 Ca 0.12 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.94 1uwk h TYR 150 Cb 0.67 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.81 1uwk h TYR 150 CO 0.05 0.27 -0.15 0.93 -1.64 0.00 0.00 178.16 177.61 1uwk h GLU 151 N 0.33 0.17 -0.02 1.82 4.39 -0.10 0.16 114.58 121.33 1uwk h GLU 151 Ca 0.09 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.75 1uwk h GLU 151 Cb 0.02 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1uwk h GLU 151 CO -0.02 0.33 -0.00 1.15 -1.16 0.00 0.00 179.01 179.31 1uwk h THR 152 N 0.16 1.25 -0.58 1.13 2.02 -0.82 -0.61 112.91 115.46 1uwk h THR 152 Ca 0.03 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 1uwk h THR 152 Cb 0.37 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1uwk h THR 152 CO 0.02 0.20 0.05 -0.26 0.37 0.00 0.00 175.52 175.90 1uwk h PHE 153 N -0.27 1.03 -0.29 3.16 0.04 -0.64 -0.07 116.94 119.90 1uwk h PHE 153 Ca 0.01 -0.15 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 1uwk h PHE 153 Cb 0.33 -0.28 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1uwk h PHE 153 CO 0.03 0.90 0.16 0.28 -0.60 0.00 0.00 178.31 179.08 1uwk h VAL 154 N 0.90 1.13 -0.39 -0.55 2.07 -0.63 0.40 116.25 119.17 1uwk h VAL 154 Ca 0.17 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 67.22 1uwk h VAL 154 Cb 0.46 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1uwk h VAL 154 CO 0.02 0.13 -0.29 -0.08 0.02 0.00 0.00 177.57 177.37 1uwk h GLU 155 N 0.35 0.85 -0.96 1.57 4.57 -0.86 -0.03 114.58 120.06 1uwk h GLU 155 Ca 0.10 -0.38 0.01 0.00 -1.18 0.00 0.00 59.36 57.91 1uwk h GLU 155 Cb 0.07 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 1uwk h GLU 155 CO -0.02 1.02 0.64 0.00 -1.18 0.00 0.00 179.01 179.48 1uwk h ALA 156 N 0.95 1.32 -0.64 2.92 0.00 -0.84 0.13 119.26 123.11 1uwk h ALA 156 Ca 0.08 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1uwk h ALA 156 Cb 0.84 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1uwk h ALA 156 CO 0.07 0.62 0.25 0.78 0.00 0.00 0.00 179.25 180.97 1uwk h GLY 157 N 1.29 1.03 1.22 0.00 0.00 -0.24 -0.40 103.07 105.97 1uwk h GLY 157 Ca 0.36 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1uwk h GLY 157 CO -0.08 0.54 0.12 3.21 0.00 0.00 0.00 176.54 180.32 1uwk h ARG 158 N 0.90 0.96 0.01 4.80 3.08 -0.36 0.39 114.38 124.16 1uwk h ARG 158 Ca 0.21 -0.23 -0.22 0.00 0.07 0.00 0.00 59.98 59.81 1uwk h ARG 158 Cb 0.22 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1uwk h ARG 158 CO -0.02 0.88 -0.94 1.96 -1.07 0.00 0.00 179.97 180.78 1uwk h GLN 159 N 0.91 0.35 0.00 0.04 4.20 -0.60 -3.36 115.11 116.65 1uwk h GLN 159 Ca 0.19 -0.39 -0.14 0.00 0.06 0.00 0.00 58.65 58.37 1uwk h GLN 159 Cb 0.37 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 1uwk h GLN 159 CO 0.01 1.07 -1.61 0.72 -0.67 0.00 0.00 178.83 178.35 1uwk n HIS 160 N -3.71 0.00 -0.78 2.96 8.25 -0.20 -4.83 115.22 116.92 1uwk n HIS 160 Ca -0.06 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.41 1uwk n HIS 160 Cb 0.84 -0.42 0.01 0.00 1.12 0.00 0.00 29.99 31.54 1uwk n HIS 160 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1uwk n TYR 161 N -2.27 0.00 -0.80 4.41 4.01 0.13 -5.02 117.16 117.62 1uwk n TYR 161 Ca -0.13 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 1uwk n TYR 161 Cb 0.72 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.72 1uwk n TYR 161 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1uwk n GLY 162 N -0.32 0.56 0.00 2.72 0.00 -0.77 -4.75 105.19 102.63 1uwk n GLY 162 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1uwk n GLY 162 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uwk n GLY 163 N -2.80 1.06 0.59 -0.02 0.00 -0.68 -4.87 105.19 98.48 1uwk n GLY 163 Ca 0.00 -0.76 0.43 0.00 0.00 0.00 0.00 46.02 45.69 1uwk n GLY 163 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1uwk h SER 164 N 0.00 0.08 0.00 1.61 0.87 -1.85 -3.35 113.55 110.91 1uwk h SER 164 Ca 0.00 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1uwk h SER 164 Cb 0.00 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1uwk h SER 164 CO 0.00 -0.04 0.00 0.18 -0.53 0.00 0.00 176.83 176.44 1uwk n LEU 165 N -4.22 0.29 -4.61 2.23 4.77 -1.26 -4.05 117.00 110.15 1uwk n LEU 165 Ca 0.37 0.00 -0.52 0.00 -0.03 0.00 0.00 56.01 55.83 1uwk n LEU 165 Cb 1.61 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 42.11 1uwk n LEU 165 CO 0.37 -0.14 0.97 1.17 -1.33 0.00 0.00 177.39 178.43 1uwk n LYS 166 N -2.00 1.23 -0.54 3.23 4.81 -1.15 -0.69 118.16 123.05 1uwk n LYS 166 Ca 0.00 0.44 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1uwk n LYS 166 Cb 0.00 -2.10 0.00 0.00 0.02 0.00 0.00 35.03 32.95 1uwk n LYS 166 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1uwk n GLY 167 N 2.77 1.01 3.70 3.14 0.00 -1.26 -5.00 105.19 109.55 1uwk n GLY 167 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1uwk n GLY 167 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uwk s LYS 168 N -0.36 2.45 0.02 1.61 -0.14 0.13 -4.78 119.74 118.67 1uwk s LYS 168 Ca 0.00 -1.35 0.00 0.00 -1.36 0.00 0.00 55.97 53.26 1uwk s LYS 168 Cb 0.00 -2.25 -0.02 0.00 -1.68 0.00 0.00 37.83 33.88 1uwk s LYS 168 CO 0.00 0.34 -0.04 1.67 -0.76 0.00 0.00 175.35 176.56 1uwk s TRP 169 N -2.30 0.33 -0.12 3.18 1.48 -1.26 -1.28 118.94 118.97 1uwk s TRP 169 Ca 0.33 -0.53 -0.05 0.00 -1.06 0.00 0.00 56.10 54.78 1uwk s TRP 169 Cb -0.06 -0.22 -0.04 0.00 -1.16 0.00 0.00 33.47 31.99 1uwk s TRP 169 CO 0.21 -0.17 0.08 0.08 -4.06 0.00 0.00 176.95 173.09 1uwk s VAL 170 N -1.46 5.00 -0.19 -0.66 1.01 -0.45 -0.98 120.40 122.69 1uwk s VAL 170 Ca -0.15 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1uwk s VAL 170 Cb -0.10 -3.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1uwk s VAL 170 CO -0.01 0.59 -0.04 -0.22 0.00 0.00 0.00 175.10 175.42 1uwk s LEU 171 N -0.76 3.05 0.00 3.92 2.96 -0.40 -0.76 118.68 126.70 1uwk s LEU 171 Ca 0.13 -0.27 -0.05 0.00 -0.22 0.00 0.00 54.13 53.71 1uwk s LEU 171 Cb -0.12 -1.75 0.02 0.00 0.50 0.00 0.00 46.19 44.84 1uwk s LEU 171 CO 0.03 0.07 0.38 1.07 -1.32 0.00 0.00 176.35 176.58 1uwk n THR 172 N 4.16 0.00 -3.86 3.68 5.66 -0.46 -1.56 114.28 121.90 1uwk n THR 172 Ca -0.18 -0.73 -0.09 0.00 -3.05 0.00 0.00 64.05 60.00 1uwk n THR 172 Cb 0.52 0.58 -0.07 0.00 -1.55 0.00 0.00 70.33 69.81 1uwk n THR 172 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1uwk s ALA 173 N -1.86 -0.28 0.00 1.79 0.00 -1.26 -1.17 121.76 118.98 1uwk s ALA 173 Ca 0.12 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1uwk s ALA 173 Cb -0.02 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1uwk s ALA 173 CO 0.09 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.67 1uwk n GLY 174 N -0.15 -0.41 2.57 0.00 0.00 0.41 -0.67 105.19 106.93 1uwk n GLY 174 Ca -0.12 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 1uwk n GLY 174 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uwk n LEU 175 N 0.00 4.87 0.00 0.99 4.77 -1.26 -3.93 117.00 122.44 1uwk n LEU 175 Ca 0.00 -5.26 0.00 0.00 -0.03 0.00 0.00 56.01 50.72 1uwk n LEU 175 Cb 0.00 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1uwk n LEU 175 CO 0.00 2.23 0.00 0.61 -1.33 0.00 0.00 177.39 178.90 1uwk n GLY 176 N -0.45 -0.47 0.18 -0.72 0.00 -1.26 -4.45 105.19 98.02 1uwk n GLY 176 Ca 0.39 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 1uwk n GLY 176 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1uwk h GLY 177 N 0.00 -0.37 1.06 -0.02 0.00 -1.96 0.12 103.07 101.91 1uwk h GLY 177 Ca 0.00 0.15 -0.32 0.00 0.00 0.00 0.00 47.33 47.16 1uwk h GLY 177 CO 0.00 -0.14 -1.66 -0.33 0.00 0.00 0.00 176.54 174.40 1uwk h MET 178 N -0.36 0.23 0.00 4.80 2.86 -1.93 -3.33 114.93 117.20 1uwk h MET 178 Ca -0.03 -0.40 -0.04 0.00 -2.06 0.00 0.00 59.70 57.18 1uwk h MET 178 Cb 0.29 0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1uwk h MET 178 CO 0.03 1.07 -0.19 0.78 1.06 0.00 0.00 176.91 179.67 1uwk h GLY 179 N 1.72 0.00 1.99 8.32 0.00 -1.77 -1.86 103.07 111.48 1uwk h GLY 179 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1uwk h GLY 179 CO 0.14 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.35 1uwk h GLY 180 N 1.01 0.00 2.00 4.60 0.00 -0.86 -1.00 103.07 108.82 1uwk h GLY 180 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1uwk h GLY 180 CO 0.02 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.56 1uwk h ALA 181 N 1.99 1.00 0.00 3.60 0.00 -1.50 -3.35 119.26 121.00 1uwk h ALA 181 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1uwk h ALA 181 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1uwk h ALA 181 CO -0.00 0.00 -0.00 1.96 0.00 0.00 0.00 179.25 181.21 1uwk h GLN 182 N 0.00 -0.01 -0.51 0.00 4.20 -1.34 -0.29 115.11 117.16 1uwk h GLN 182 Ca 0.00 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1uwk h GLN 182 Cb 0.62 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.36 1uwk h GLN 182 CO 0.00 0.04 0.26 -1.00 -0.67 0.00 0.00 178.83 177.46 1uwk h PRO 183 N -0.05 0.48 -0.27 1.46 0.13 -1.77 -0.63 132.00 131.36 1uwk h PRO 183 Ca -0.00 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 64.92 1uwk h PRO 183 Cb 0.05 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 31.07 1uwk h PRO 183 CO 0.00 0.32 -0.56 1.25 -0.23 0.00 0.00 178.00 178.78 1uwk h LEU 184 N 0.50 0.92 -0.79 1.56 5.85 -1.24 -1.30 115.31 120.81 1uwk h LEU 184 Ca 0.23 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.48 1uwk h LEU 184 Cb 0.14 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 1uwk h LEU 184 CO -0.16 1.29 0.50 0.00 -0.34 0.00 0.00 178.44 179.73 1uwk h ALA 185 N 0.73 1.03 -0.38 1.25 0.00 -0.75 0.10 119.26 121.25 1uwk h ALA 185 Ca 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1uwk h ALA 185 Cb 1.16 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1uwk h ALA 185 CO 0.12 0.32 0.16 0.00 0.00 0.00 0.00 179.25 179.85 1uwk h ALA 186 N 1.33 0.49 -0.36 0.00 0.00 -0.87 -1.67 119.26 118.18 1uwk h ALA 186 Ca 0.31 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1uwk h ALA 186 Cb 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 1uwk h ALA 186 CO -0.11 0.08 0.12 1.15 0.00 0.00 0.00 179.25 180.50 1uwk h THR 187 N 0.46 0.89 0.00 0.00 2.02 -0.68 0.14 112.91 115.75 1uwk h THR 187 Ca 0.13 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.16 1uwk h THR 187 Cb 0.17 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1uwk h THR 187 CO -0.01 0.05 -0.27 -0.07 0.37 0.00 0.00 175.52 175.59 1uwk h LEU 188 N 0.27 0.00 0.00 2.58 3.38 -0.56 -0.27 115.31 120.71 1uwk h LEU 188 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1uwk h LEU 188 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1uwk h LEU 188 CO -0.17 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1uwk n ALA 189 N -2.43 2.50 0.00 1.53 0.00 -0.65 -4.92 120.51 116.54 1uwk n ALA 189 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1uwk n ALA 189 Cb 0.34 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1uwk n ALA 189 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uwk n GLY 190 N 1.10 0.44 3.91 0.00 0.00 -0.11 -4.08 105.19 106.44 1uwk n GLY 190 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 1uwk n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwk s ALA 191 N -2.00 3.82 0.78 4.61 0.00 -0.03 -2.94 121.76 125.99 1uwk s ALA 191 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 51.96 51.19 1uwk s ALA 191 Cb 0.00 -2.07 0.06 0.00 0.00 0.00 0.00 23.12 21.11 1uwk s ALA 191 CO 0.00 0.61 1.11 0.00 0.00 0.00 0.00 175.76 177.49 1uwk s SER 193 N -4.19 -0.31 -0.18 0.00 1.04 -0.92 -1.34 113.70 107.80 1uwk s SER 193 Ca 0.60 0.24 0.00 0.00 0.48 0.00 0.00 55.95 57.27 1uwk s SER 193 Cb -0.13 0.37 0.01 0.00 0.10 0.00 0.00 66.02 66.38 1uwk s SER 193 CO 0.52 -0.50 -0.17 -0.22 0.98 0.00 0.00 173.24 173.86 1uwk s LEU 194 N -1.33 2.30 -0.27 2.42 2.96 0.06 -0.67 118.68 124.16 1uwk s LEU 194 Ca -0.13 -0.58 0.01 0.00 -0.22 0.00 0.00 54.13 53.21 1uwk s LEU 194 Cb -0.04 -1.54 0.07 0.00 0.50 0.00 0.00 46.19 45.19 1uwk s LEU 194 CO 0.05 0.01 -0.02 0.20 -1.32 0.00 0.00 176.35 175.27 1uwk s ASN 195 N 1.28 4.10 -0.03 3.68 0.01 0.39 -1.35 114.94 123.01 1uwk s ASN 195 Ca 0.04 -1.43 -0.25 0.00 -0.71 0.00 0.00 52.86 50.51 1uwk s ASN 195 Cb -0.14 -1.26 -0.04 0.00 0.41 0.00 0.00 41.25 40.22 1uwk s ASN 195 CO -0.10 -0.28 0.76 -0.63 -1.51 0.00 0.00 177.10 175.35 1uwk s ILE 196 N 1.30 4.96 -0.08 0.60 -1.09 -0.32 -0.89 121.20 125.68 1uwk s ILE 196 Ca -0.01 1.58 -0.05 0.00 -2.23 0.00 0.00 60.65 59.94 1uwk s ILE 196 Cb -0.19 -4.10 0.04 0.00 -1.58 0.00 0.00 42.46 36.63 1uwk s ILE 196 CO -0.09 0.26 0.20 -0.70 -1.23 0.00 0.00 174.94 173.38 1uwk s GLU 197 N 0.67 0.18 0.39 2.79 2.56 -0.15 -0.45 118.70 124.69 1uwk s GLU 197 Ca 0.40 0.40 0.23 0.00 0.00 0.00 0.00 54.97 56.01 1uwk s GLU 197 Cb -0.19 -0.06 0.37 0.00 2.00 0.00 0.00 34.13 36.25 1uwk s GLU 197 CO 0.21 -0.12 1.58 0.77 -0.56 0.00 0.00 175.26 177.14 1uwk h SER 198 N 6.75 0.00 -3.34 -1.70 0.02 -1.78 -1.48 113.55 112.02 1uwk h SER 198 Ca -0.36 -0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.92 1uwk h SER 198 Cb 1.17 0.00 -0.29 0.00 0.14 0.00 0.00 62.40 63.41 1uwk h SER 198 CO 0.39 0.00 -0.75 -1.10 -1.14 0.00 0.00 176.83 174.23 1uwk s GLN 199 N -3.21 3.27 0.40 3.45 -0.21 -1.26 -4.69 119.66 117.41 1uwk s GLN 199 Ca 0.07 -0.68 0.10 0.00 0.02 0.00 0.00 55.36 54.86 1uwk s GLN 199 Cb 0.06 -2.93 0.88 0.00 1.00 0.00 0.00 33.01 32.03 1uwk s GLN 199 CO 0.67 -0.21 1.98 0.37 -2.12 0.00 0.00 175.29 175.97 1uwk h GLN 200 N 8.08 0.56 0.00 2.91 5.75 -2.01 -1.64 115.11 128.76 1uwk h GLN 200 Ca -0.42 -0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 58.03 1uwk h GLN 200 Cb 1.15 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.57 1uwk h GLN 200 CO 0.61 0.37 -0.10 0.66 -2.65 0.00 0.00 178.83 177.72 1uwk h SER 201 N 0.58 0.00 0.02 -0.69 4.64 -1.99 0.36 113.55 116.47 1uwk h SER 201 Ca 0.28 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.34 1uwk h SER 201 Cb 0.36 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.47 1uwk h SER 201 CO -0.09 0.10 -1.04 0.03 -0.87 0.00 0.00 176.83 174.97 1uwk h ARG 202 N 0.00 0.66 -0.38 4.77 2.47 -1.61 -1.74 114.38 118.55 1uwk h ARG 202 Ca -0.00 -0.74 0.02 0.00 -1.26 0.00 0.00 59.98 58.00 1uwk h ARG 202 Cb 0.20 0.22 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 1uwk h ARG 202 CO 0.01 1.32 0.21 0.82 0.56 0.00 0.00 179.97 182.89 1uwk h ILE 203 N 0.32 1.00 -0.98 2.04 2.04 -1.13 -1.80 117.51 119.01 1uwk h ILE 203 Ca -0.14 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.61 1uwk h ILE 203 Cb 1.70 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 1uwk h ILE 203 CO 0.20 0.08 0.64 0.44 0.00 0.00 0.00 178.15 179.51 1uwk h ASP 204 N 0.42 1.09 -0.69 1.72 3.32 -0.89 0.75 116.42 122.13 1uwk h ASP 204 Ca 0.16 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 1uwk h ASP 204 Cb 0.04 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 1uwk h ASP 204 CO -0.10 0.76 0.30 0.15 -1.72 0.00 0.00 179.24 178.63 1uwk h PHE 205 N 1.27 1.04 -0.20 4.55 3.04 -0.73 0.36 116.94 126.27 1uwk h PHE 205 Ca 0.38 -0.07 -0.12 0.00 3.98 0.00 0.00 57.97 62.13 1uwk h PHE 205 Cb -0.06 -0.31 -0.01 0.00 2.56 0.00 0.00 35.95 38.12 1uwk h PHE 205 CO -0.00 0.80 -0.39 0.00 -2.02 0.00 0.00 178.31 176.69 1uwk h ARG 206 N 0.98 0.46 -0.49 1.11 -0.00 -0.70 -2.07 114.38 113.68 1uwk h ARG 206 Ca 0.23 -0.22 -0.07 0.00 -0.50 0.00 0.00 59.98 59.42 1uwk h ARG 206 Cb 0.18 -0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.13 1uwk h ARG 206 CO -0.02 0.78 0.01 -0.07 0.00 0.00 0.00 179.97 180.67 1uwk h LEU 207 N 0.38 0.83 -1.01 3.04 3.38 -0.40 -0.74 115.31 120.78 1uwk h LEU 207 Ca 0.04 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1uwk h LEU 207 Cb 0.86 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 1uwk h LEU 207 CO 0.07 0.92 -0.37 -0.33 0.09 0.00 0.00 178.44 178.83 1uwk h GLU 208 N 0.71 0.00 -0.36 1.13 5.08 -0.71 -2.51 114.58 117.92 1uwk h GLU 208 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1uwk h GLU 208 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1uwk h GLU 208 CO 0.02 0.37 0.00 0.25 -1.00 0.00 0.00 179.01 178.65 1uwk n THR 209 N -3.59 0.47 -1.31 1.13 -2.24 -0.80 -4.95 114.28 103.00 1uwk n THR 209 Ca -0.00 -0.64 -0.11 0.00 -2.27 0.00 0.00 64.05 61.03 1uwk n THR 209 Cb 0.49 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 69.36 1uwk n THR 209 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1uwk n ARG 210 N 1.10 -0.75 0.10 -0.78 1.74 -0.92 -4.39 116.66 112.76 1uwk n ARG 210 Ca 0.18 0.87 0.03 0.00 -0.77 0.00 0.00 57.85 58.17 1uwk n ARG 210 Cb 0.50 -4.83 -0.01 0.00 -1.02 0.00 0.00 32.46 27.10 1uwk n ARG 210 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1uwk h TYR 211 N 0.00 0.00 -4.03 -1.55 0.05 -1.40 -3.46 116.97 106.58 1uwk h TYR 211 Ca -0.22 0.00 -0.50 0.00 0.05 0.00 0.00 58.73 58.06 1uwk h TYR 211 Cb 0.70 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.20 1uwk h TYR 211 CO 0.30 0.44 -0.81 0.54 -1.05 0.00 0.00 178.16 177.58 1uwk s VAL 212 N -3.01 1.41 -0.15 -2.88 0.11 -1.13 -2.16 120.40 112.59 1uwk s VAL 212 Ca 0.01 -1.23 -0.13 0.00 -2.93 0.00 0.00 61.98 57.70 1uwk s VAL 212 Cb 0.08 -1.27 -0.24 0.00 -1.53 0.00 0.00 36.38 33.42 1uwk s VAL 212 CO 0.77 0.01 0.34 0.44 -3.33 0.00 0.00 175.10 173.33 1uwk h ASP 213 N 4.61 0.27 -5.16 3.54 3.32 -1.82 -3.39 116.42 117.79 1uwk h ASP 213 Ca -0.42 -0.78 -0.09 0.00 0.02 0.00 0.00 57.03 55.76 1uwk h ASP 213 Cb 1.18 -0.09 -0.14 0.00 0.22 0.00 0.00 39.33 40.50 1uwk h ASP 213 CO 0.42 1.70 -0.40 -1.61 -1.72 0.00 0.00 179.24 177.63 1uwk s GLU 214 N -2.48 0.82 -0.17 3.56 2.02 -0.80 -5.02 118.70 116.63 1uwk s GLU 214 Ca -0.24 -0.98 -0.00 0.00 0.02 0.00 0.00 54.97 53.76 1uwk s GLU 214 Cb 0.06 0.33 0.00 0.00 0.10 0.00 0.00 34.13 34.62 1uwk s GLU 214 CO 0.71 -0.25 -0.15 -1.14 0.02 0.00 0.00 175.26 174.45 1uwk s GLN 215 N -3.86 3.17 0.63 1.61 0.74 -1.26 -0.25 119.66 120.44 1uwk s GLN 215 Ca 0.05 -0.75 -0.14 0.00 0.05 0.00 0.00 55.36 54.57 1uwk s GLN 215 Cb 0.05 -2.68 -0.02 0.00 1.10 0.00 0.00 33.01 31.46 1uwk s GLN 215 CO -0.11 -0.09 1.05 0.00 -0.55 0.00 0.00 175.29 175.59 1uwk s ALA 216 N 1.08 2.77 -0.17 1.58 0.00 0.02 -4.92 121.76 122.12 1uwk s ALA 216 Ca -0.00 0.22 0.16 0.00 0.00 0.00 0.00 51.96 52.35 1uwk s ALA 216 Cb -0.14 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1uwk s ALA 216 CO -0.04 -0.91 1.24 1.79 0.00 0.00 0.00 175.76 177.83 1uwk h THR 217 N -0.02 0.65 -2.51 0.00 1.35 -1.91 -3.43 112.91 107.04 1uwk h THR 217 Ca -0.45 -2.00 0.16 0.00 -0.55 0.00 0.00 66.41 63.56 1uwk h THR 217 Cb 1.21 2.22 -0.04 0.00 -1.73 0.00 0.00 68.15 69.81 1uwk h THR 217 CO 0.58 0.37 0.56 1.51 -0.25 0.00 0.00 175.52 178.28 1uwk s ASP 218 N -6.16 -0.03 0.17 5.36 1.47 -1.26 -5.00 116.67 111.22 1uwk s ASP 218 Ca 0.02 -0.64 -0.12 0.00 1.18 0.00 0.00 52.55 52.98 1uwk s ASP 218 Cb 0.08 0.51 0.07 0.00 -0.34 0.00 0.00 42.92 43.24 1uwk s ASP 218 CO 0.76 -1.00 1.72 0.25 0.68 0.00 0.00 175.17 177.58 1uwk h LEU 219 N 2.00 0.80 -0.90 2.11 5.85 -1.94 0.47 115.31 123.70 1uwk h LEU 219 Ca -0.27 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 1uwk h LEU 219 Cb 1.22 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.00 1uwk h LEU 219 CO 0.34 0.75 0.50 0.44 -0.34 0.00 0.00 178.44 180.14 1uwk h ASP 220 N 0.79 1.11 -0.51 1.25 3.32 -1.99 -0.13 116.42 120.27 1uwk h ASP 220 Ca 0.19 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1uwk h ASP 220 Cb 0.21 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1uwk h ASP 220 CO -0.01 0.88 0.20 -0.78 -1.72 0.00 0.00 179.24 177.81 1uwk h ASP 221 N 1.25 0.70 -0.50 6.45 3.58 -1.83 -1.67 116.42 124.40 1uwk h ASP 221 Ca 0.32 -0.17 0.07 0.00 0.42 0.00 0.00 57.03 57.67 1uwk h ASP 221 Cb 0.01 -0.18 -0.06 0.00 1.72 0.00 0.00 39.33 40.82 1uwk h ASP 221 CO -0.05 0.68 0.15 0.00 -2.88 0.00 0.00 179.24 177.14 1uwk h ALA 222 N 1.05 0.60 -0.04 -0.78 0.00 -0.34 -0.91 119.26 118.85 1uwk h ALA 222 Ca 0.17 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1uwk h ALA 222 Cb 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1uwk h ALA 222 CO -0.01 -0.25 -0.51 -0.07 0.00 0.00 0.00 179.25 178.41 1uwk h LEU 223 N 0.32 0.10 -0.51 0.00 3.38 -0.68 -0.58 115.31 117.33 1uwk h LEU 223 Ca 0.25 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 1uwk h LEU 223 Cb 0.29 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1uwk h LEU 223 CO -0.27 0.59 0.17 0.58 0.09 0.00 0.00 178.44 179.60 1uwk h VAL 224 N 0.08 1.23 -0.37 1.22 2.07 -0.82 -0.77 116.25 118.89 1uwk h VAL 224 Ca 0.00 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.72 1uwk h VAL 224 Cb 0.92 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1uwk h VAL 224 CO 0.07 0.28 0.04 0.03 0.02 0.00 0.00 177.57 178.00 1uwk h ARG 225 N 0.70 0.62 -0.66 1.57 3.08 -0.84 -1.64 114.38 117.20 1uwk h ARG 225 Ca 0.17 -0.18 0.02 0.00 0.07 0.00 0.00 59.98 60.06 1uwk h ARG 225 Cb 0.26 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1uwk h ARG 225 CO -0.01 0.71 0.42 0.82 -1.07 0.00 0.00 179.97 180.84 1uwk h ILE 226 N 0.45 1.12 -0.67 2.04 1.08 -1.00 0.12 117.51 120.65 1uwk h ILE 226 Ca 0.11 -0.29 -0.05 0.00 -0.39 0.00 0.00 64.86 64.24 1uwk h ILE 226 Cb 0.40 0.20 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 1uwk h ILE 226 CO 0.01 0.15 0.23 0.00 -0.69 0.00 0.00 178.15 177.86 1uwk h ALA 227 N 1.27 0.87 -0.13 1.87 0.00 -0.91 -1.01 119.26 121.21 1uwk h ALA 227 Ca 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1uwk h ALA 227 Cb -0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1uwk h ALA 227 CO -0.08 0.53 -0.03 -0.22 0.00 0.00 0.00 179.25 179.44 1uwk h LYS 228 N 0.96 0.26 -0.48 0.00 3.64 -0.86 -2.31 116.57 117.78 1uwk h LYS 228 Ca 0.22 -0.10 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 1uwk h LYS 228 Cb 0.27 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1uwk h LYS 228 CO -0.01 0.55 -0.22 1.88 -2.27 0.00 0.00 179.45 179.38 1uwk h TYR 229 N -0.05 1.15 -0.50 1.91 0.05 -0.68 -2.41 116.97 116.43 1uwk h TYR 229 Ca 0.03 -0.28 -0.13 0.00 0.05 0.00 0.00 58.73 58.41 1uwk h TYR 229 Cb 0.45 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1uwk h TYR 229 CO 0.05 1.11 -0.19 1.79 -1.05 0.00 0.00 178.16 179.87 1uwk h THR 230 N 0.86 1.27 -0.49 -2.88 1.35 -1.25 -0.88 112.91 110.90 1uwk h THR 230 Ca 0.11 -1.36 0.05 0.00 -0.55 0.00 0.00 66.41 64.67 1uwk h THR 230 Cb 0.80 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 68.27 1uwk h THR 230 CO 0.07 0.47 0.33 0.00 -0.25 0.00 0.00 175.52 176.14 1uwk h ALA 231 N 0.89 1.89 -0.01 6.62 0.00 -1.25 -1.13 119.26 126.26 1uwk h ALA 231 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1uwk h ALA 231 Cb 0.77 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1uwk h ALA 231 CO 0.06 0.04 -0.10 0.39 0.00 0.00 0.00 179.25 179.64 1uwk n GLU 232 N -4.48 1.24 -1.25 0.00 1.02 -0.92 -4.94 120.64 111.31 1uwk n GLU 232 Ca 0.06 -0.66 -0.08 0.00 -0.02 0.00 0.00 57.16 56.46 1uwk n GLU 232 Cb 0.22 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.12 1uwk n GLU 232 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uwk n GLY 233 N 1.23 1.03 3.87 0.62 0.00 -0.43 -5.01 105.19 106.49 1uwk n GLY 233 Ca 0.17 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.30 1uwk n GLY 233 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1uwk s LYS 234 N -2.64 3.71 -0.57 1.61 -0.14 -0.45 -4.57 119.74 116.69 1uwk s LYS 234 Ca 0.00 0.74 0.04 0.00 -1.36 0.00 0.00 55.97 55.39 1uwk s LYS 234 Cb 0.00 -2.14 0.14 0.00 -1.68 0.00 0.00 37.83 34.15 1uwk s LYS 234 CO 0.00 -0.41 0.34 0.00 -0.76 0.00 0.00 175.35 174.52 1uwk s ALA 235 N -2.92 3.32 -0.03 5.17 0.00 -1.26 -4.30 121.76 121.74 1uwk s ALA 235 Ca 0.55 -3.38 0.06 0.00 0.00 0.00 0.00 51.96 49.20 1uwk s ALA 235 Cb -0.11 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.88 1uwk s ALA 235 CO 0.45 -2.05 -0.22 0.42 0.00 0.00 0.00 175.76 174.36 1uwk s ILE 236 N -0.61 1.78 -0.14 0.00 1.01 -1.26 -4.80 121.20 117.19 1uwk s ILE 236 Ca 0.20 -0.95 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 1uwk s ILE 236 Cb -0.18 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.76 1uwk s ILE 236 CO -0.06 0.50 0.11 -0.94 0.00 0.00 0.00 174.94 174.55 1uwk s SER 237 N -0.37 6.09 -0.13 3.58 1.04 -1.26 -2.17 113.70 120.49 1uwk s SER 237 Ca 0.04 0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.82 1uwk s SER 237 Cb -0.10 -1.98 0.01 0.00 0.10 0.00 0.00 66.02 64.05 1uwk s SER 237 CO 0.01 0.32 -0.22 -0.63 0.98 0.00 0.00 173.24 173.70 1uwk s ILE 238 N -0.52 2.00 0.06 -1.02 1.01 0.15 -1.90 121.20 120.97 1uwk s ILE 238 Ca 0.12 -0.95 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 1uwk s ILE 238 Cb -0.12 -1.76 -0.06 0.00 0.01 0.00 0.00 42.46 40.53 1uwk s ILE 238 CO 0.02 0.54 0.38 0.00 0.00 0.00 0.00 174.94 175.88 1uwk s ALA 239 N 0.73 3.74 -0.09 9.38 0.00 0.66 -0.46 121.76 135.72 1uwk s ALA 239 Ca -0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 51.96 51.48 1uwk s ALA 239 Cb -0.16 -2.26 0.02 0.00 0.00 0.00 0.00 23.12 20.73 1uwk s ALA 239 CO 0.00 0.57 -0.06 -1.17 0.00 0.00 0.00 175.76 175.10 1uwk s LEU 240 N -1.78 1.09 -0.12 0.00 2.96 -0.07 -0.80 118.68 119.96 1uwk s LEU 240 Ca 0.31 -0.23 -0.29 0.00 -0.22 0.00 0.00 54.13 53.70 1uwk s LEU 240 Cb -0.14 -0.69 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 1uwk s LEU 240 CO 0.17 -0.12 1.44 -2.28 -1.32 0.00 0.00 176.35 174.24 1uwk s HIS 241 N 1.59 2.46 -2.11 5.38 5.65 -1.26 -0.98 115.29 126.02 1uwk s HIS 241 Ca 0.01 0.65 0.00 0.00 0.25 0.00 0.00 55.06 55.97 1uwk s HIS 241 Cb -0.13 -3.69 0.00 0.00 -1.18 0.00 0.00 32.58 27.58 1uwk s HIS 241 CO -0.05 -2.65 0.00 0.41 -0.65 0.00 0.00 174.74 171.79 1uwk n GLY 242 N 3.85 -1.38 3.29 1.59 0.00 -0.56 -4.90 105.19 107.08 1uwk n GLY 242 Ca 0.15 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 1uwk n GLY 242 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1uwk s ASN 243 N -3.45 4.17 0.50 1.61 3.84 -1.26 -2.52 114.94 117.83 1uwk s ASN 243 Ca 0.00 -0.41 0.18 0.00 0.21 0.00 0.00 52.86 52.83 1uwk s ASN 243 Cb 0.00 -1.71 1.23 0.00 -0.55 0.00 0.00 41.25 40.22 1uwk s ASN 243 CO 0.00 -0.01 2.09 0.00 -2.79 0.00 0.00 177.10 176.39 1uwk h ALA 244 N 8.04 1.77 0.00 1.71 0.00 -1.92 0.10 119.26 128.95 1uwk h ALA 244 Ca -0.41 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1uwk h ALA 244 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1uwk h ALA 244 CO 0.61 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.96 1uwk n ALA 245 N -2.48 1.80 -0.12 0.00 0.00 -1.26 -1.21 120.51 117.23 1uwk n ALA 245 Ca -0.03 0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.22 1uwk n ALA 245 Cb 0.16 -1.39 -0.11 0.00 0.00 0.00 0.00 19.45 18.11 1uwk n ALA 245 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1uwk n GLU 246 N -2.17 0.62 -0.02 0.00 1.02 -0.39 -4.52 120.64 115.18 1uwk n GLU 246 Ca 0.03 0.25 -0.17 0.00 -0.02 0.00 0.00 57.16 57.26 1uwk n GLU 246 Cb 0.27 -1.55 -0.06 0.00 -0.02 0.00 0.00 31.44 30.08 1uwk n GLU 246 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1uwk h ILE 247 N -0.55 1.28 -0.14 -3.67 2.04 -0.96 -2.58 117.51 112.94 1uwk h ILE 247 Ca -0.60 -1.97 -0.01 0.00 1.00 0.00 0.00 64.86 63.27 1uwk h ILE 247 Cb 1.73 1.97 -0.01 0.00 -0.74 0.00 0.00 36.82 39.77 1uwk h ILE 247 CO -0.24 0.63 0.05 -0.07 0.00 0.00 0.00 178.15 178.52 1uwk h LEU 248 N 0.53 0.19 -1.60 1.44 4.07 -1.40 0.51 115.31 119.05 1uwk h LEU 248 Ca -0.05 -0.17 0.04 0.00 0.08 0.00 0.00 57.88 57.78 1uwk h LEU 248 Cb 1.39 -0.05 -0.03 0.00 1.08 0.00 0.00 40.66 43.05 1uwk h LEU 248 CO 0.16 0.32 0.33 -0.65 -1.08 0.00 0.00 178.44 177.51 1uwk h PRO 249 N 0.06 0.50 -0.55 1.13 0.11 -1.77 -1.58 132.00 129.90 1uwk h PRO 249 Ca 0.05 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 66.02 1uwk h PRO 249 Cb 0.18 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.16 1uwk h PRO 249 CO -0.00 0.33 -0.06 1.49 -0.21 0.00 0.00 178.00 179.54 1uwk h GLU 250 N 0.52 1.01 -0.35 1.05 4.57 -0.97 -1.31 114.58 119.09 1uwk h GLU 250 Ca 0.20 -0.34 -0.12 0.00 -1.18 0.00 0.00 59.36 57.92 1uwk h GLU 250 Cb 0.17 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1uwk h GLU 250 CO -0.05 1.03 -0.27 -0.07 -1.18 0.00 0.00 179.01 178.46 1uwk h LEU 251 N 0.91 0.75 -0.25 1.64 3.38 -0.25 -0.52 115.31 120.97 1uwk h LEU 251 Ca 0.15 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1uwk h LEU 251 Cb 0.62 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1uwk h LEU 251 CO 0.04 0.99 0.15 0.58 0.09 0.00 0.00 178.44 180.28 1uwk h VAL 252 N 0.63 1.03 -0.74 1.22 2.07 -1.10 -1.64 116.25 117.71 1uwk h VAL 252 Ca 0.08 -0.10 0.03 0.00 0.82 0.00 0.00 66.70 67.52 1uwk h VAL 252 Cb 0.79 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1uwk h VAL 252 CO 0.06 0.06 0.49 0.11 0.02 0.00 0.00 177.57 178.31 1uwk h LYS 253 N 0.31 0.90 0.00 1.57 6.56 -0.91 -1.12 116.57 123.87 1uwk h LYS 253 Ca 0.10 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.63 1uwk h LYS 253 Cb -0.01 -0.20 0.00 0.00 -0.57 0.00 0.00 32.23 31.45 1uwk h LYS 253 CO -0.04 0.60 0.00 0.54 -2.06 0.00 0.00 179.45 178.48 1uwk n ARG 254 N -4.45 0.65 -1.35 3.15 1.74 -0.23 -4.89 116.66 111.27 1uwk n ARG 254 Ca 0.09 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.09 1uwk n ARG 254 Cb 0.10 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.00 1uwk n ARG 254 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uwk n GLY 255 N 0.88 1.03 3.75 -0.13 0.00 -0.42 -4.99 105.19 105.31 1uwk n GLY 255 Ca 0.17 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1uwk n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uwk s VAL 256 N -2.37 3.52 -0.36 1.61 1.01 -0.66 -5.01 120.40 118.15 1uwk s VAL 256 Ca 0.00 1.40 0.03 0.00 0.00 0.00 0.00 61.98 63.41 1uwk s VAL 256 Cb 0.00 -3.89 0.10 0.00 0.00 0.00 0.00 36.38 32.59 1uwk s VAL 256 CO 0.00 0.28 0.08 -0.60 0.00 0.00 0.00 175.10 174.86 1uwk s ARG 257 N -0.86 1.43 1.02 2.72 3.52 -1.26 -4.68 118.95 120.84 1uwk s ARG 257 Ca 0.49 -1.86 -0.12 0.00 -0.13 0.00 0.00 55.73 54.10 1uwk s ARG 257 Cb -0.32 -3.04 0.20 0.00 -1.56 0.00 0.00 34.95 30.22 1uwk s ARG 257 CO 0.39 -0.97 1.09 -2.14 -0.81 0.00 0.00 175.30 172.86 1uwk s PRO 258 N 0.85 0.28 0.09 5.12 0.02 -1.26 -4.98 135.00 135.11 1uwk s PRO 258 Ca 0.12 0.52 0.23 0.00 0.02 0.00 0.00 61.00 61.88 1uwk s PRO 258 Cb -0.20 -1.72 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 1uwk s PRO 258 CO -0.09 -2.84 0.95 -0.25 -0.33 0.00 0.00 177.00 174.44 1uwk n ASP 259 N -4.25 0.58 -3.77 2.53 8.00 -0.15 -4.85 116.55 114.65 1uwk n ASP 259 Ca 0.05 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.42 1uwk n ASP 259 Cb 0.57 0.87 -0.09 0.00 -0.02 0.00 0.00 41.12 42.45 1uwk n ASP 259 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1uwk s MET 260 N -3.30 0.57 -0.04 -1.24 -1.94 -1.13 -4.12 119.30 108.09 1uwk s MET 260 Ca 0.01 0.01 0.02 0.00 -1.71 0.00 0.00 55.69 54.02 1uwk s MET 260 Cb 0.13 0.26 0.01 0.00 2.01 0.00 0.00 34.83 37.23 1uwk s MET 260 CO 0.81 -0.13 -0.09 0.08 -0.01 0.00 0.00 175.02 175.68 1uwk s VAL 261 N -0.84 0.85 0.00 -6.03 1.01 -0.42 -1.27 120.40 113.70 1uwk s VAL 261 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1uwk s VAL 261 Cb -0.04 -0.78 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1uwk s VAL 261 CO 0.03 0.28 0.00 1.07 0.00 0.00 0.00 175.10 176.48 1uwk n THR 262 N 3.64 0.00 -3.60 3.92 5.66 -0.60 -1.66 114.28 121.63 1uwk n THR 262 Ca -0.22 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.63 1uwk n THR 262 Cb 0.52 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.24 1uwk n THR 262 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1uwk s ASP 263 N 0.18 -0.67 -0.22 1.09 -1.08 -1.26 -4.23 116.67 110.49 1uwk s ASP 263 Ca 0.00 1.07 0.20 0.00 -0.52 0.00 0.00 52.55 53.30 1uwk s ASP 263 Cb 0.00 1.02 0.45 0.00 -1.46 0.00 0.00 42.92 42.93 1uwk s ASP 263 CO 0.00 -0.38 1.20 1.67 0.52 0.00 0.00 175.17 178.17 1uwk n GLN 264 N 1.97 1.29 -0.93 4.34 7.27 0.15 -4.05 117.38 127.42 1uwk n GLN 264 Ca -0.16 -2.68 -0.29 0.00 0.07 0.00 0.00 57.00 53.93 1uwk n GLN 264 Cb 0.56 -0.84 0.19 0.00 2.41 0.00 0.00 30.24 32.56 1uwk n GLN 264 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 1uwk s THR 265 N -2.22 2.23 -1.12 1.69 -4.23 -1.20 -4.50 115.64 106.29 1uwk s THR 265 Ca 0.23 0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.75 1uwk s THR 265 Cb 0.34 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.81 1uwk s THR 265 CO -0.08 -0.10 2.76 -1.20 -0.54 0.00 0.00 174.62 175.46 1uwk n SER 266 N -4.34 7.70 0.20 3.99 7.64 -0.96 -4.61 113.62 123.24 1uwk n SER 266 Ca 0.06 -2.91 0.14 0.00 1.01 0.00 0.00 58.87 57.16 1uwk n SER 266 Cb 0.55 -1.40 0.67 0.00 -1.01 0.00 0.00 64.21 63.02 1uwk n SER 266 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1uwk h ALA 267 N 4.28 1.00 0.00 -0.43 0.00 -1.73 -2.61 119.26 119.77 1uwk h ALA 267 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1uwk h ALA 267 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1uwk h ALA 267 CO 1.33 0.00 0.00 1.12 0.00 0.00 0.00 179.25 181.70 1uwk h HIS 268 N 0.00 0.00 -2.67 0.00 2.07 -1.47 -3.34 115.15 109.74 1uwk h HIS 268 Ca 0.00 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.92 1uwk h HIS 268 Cb 0.20 0.00 -0.39 0.00 2.57 0.00 0.00 27.41 29.78 1uwk h HIS 268 CO 0.00 0.00 -0.83 0.34 -3.07 0.00 0.00 177.93 174.37 1uwk s ASP 269 N -4.65 2.82 0.47 3.10 3.68 -0.98 -4.36 116.67 116.75 1uwk s ASP 269 Ca 0.01 -2.79 0.18 0.00 2.13 0.00 0.00 52.55 52.08 1uwk s ASP 269 Cb 0.09 -0.72 1.16 0.00 -1.45 0.00 0.00 42.92 42.01 1uwk s ASP 269 CO 0.39 -0.22 1.97 -0.65 0.13 0.00 0.00 175.17 176.79 1uwk h PRO 270 N 6.28 0.26 -0.09 4.34 0.11 -1.78 0.18 132.00 141.29 1uwk h PRO 270 Ca 0.12 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.08 1uwk h PRO 270 Cb 0.91 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.95 1uwk h PRO 270 CO 0.41 0.17 -0.55 1.25 -0.21 0.00 0.00 178.00 179.07 1uwk h LEU 271 N 0.26 0.29 0.00 2.35 5.85 -1.90 -3.39 115.31 118.77 1uwk h LEU 271 Ca 0.28 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1uwk h LEU 271 Cb 0.76 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1uwk h LEU 271 CO -0.06 0.78 -1.20 0.59 -0.34 0.00 0.00 178.44 178.21 1uwk n ASN 272 N -3.92 4.09 -0.18 1.25 3.02 -0.92 -4.85 115.26 113.76 1uwk n ASN 272 Ca -0.02 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.55 1uwk n ASN 272 Cb 0.58 1.05 0.04 0.00 -0.61 0.00 0.00 39.78 40.84 1uwk n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uwk n GLY 273 N 2.38 1.51 2.82 7.41 0.00 0.57 -4.96 105.19 114.93 1uwk n GLY 273 Ca -0.02 -0.11 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 1uwk n GLY 273 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1uwk s TYR 274 N -0.75 -0.27 -0.23 1.61 5.04 -1.25 -2.26 117.35 119.23 1uwk s TYR 274 Ca 0.06 0.45 -0.29 0.00 -2.44 0.00 0.00 57.07 54.86 1uwk s TYR 274 Cb 0.03 -0.28 0.01 0.00 0.35 0.00 0.00 41.96 42.07 1uwk s TYR 274 CO 0.05 -0.47 1.07 -1.17 -1.34 0.00 0.00 175.55 173.68 1uwk s LEU 275 N 2.33 4.09 0.59 6.97 2.96 -1.26 -4.75 118.68 129.62 1uwk s LEU 275 Ca 0.05 1.39 -0.19 0.00 -0.22 0.00 0.00 54.13 55.15 1uwk s LEU 275 Cb -0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1uwk s LEU 275 CO -0.10 -0.70 1.26 -2.84 -1.32 0.00 0.00 176.35 172.65 1uwk s PRO 276 N 3.27 2.95 0.14 0.98 0.02 -1.26 -4.90 135.00 136.20 1uwk s PRO 276 Ca 0.45 1.97 -0.35 0.00 0.02 0.00 0.00 61.00 63.10 1uwk s PRO 276 Cb -0.15 -2.01 -0.15 0.00 0.02 0.00 0.00 34.50 32.21 1uwk s PRO 276 CO 0.08 -1.26 1.51 0.00 -0.33 0.00 0.00 177.00 176.99 1uwk n ALA 277 N -1.48 0.67 0.00 -1.55 0.00 -1.26 -1.96 120.51 114.93 1uwk n ALA 277 Ca 0.13 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1uwk n ALA 277 Cb 0.48 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1uwk n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uwk n GLY 278 N 3.15 1.59 3.91 0.00 0.00 -1.26 -5.04 105.19 107.53 1uwk n GLY 278 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 1uwk n GLY 278 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1uwk s TRP 279 N -2.47 3.47 0.40 1.61 0.52 -0.83 -5.11 118.94 116.53 1uwk s TRP 279 Ca 0.00 0.58 -0.08 0.00 0.02 0.00 0.00 56.10 56.62 1uwk s TRP 279 Cb 0.00 -2.05 -0.06 0.00 -1.15 0.00 0.00 33.47 30.22 1uwk s TRP 279 CO 0.00 0.26 0.73 0.95 0.02 0.00 0.00 176.95 178.91 1uwk s THR 280 N -1.96 4.85 0.22 2.01 -4.23 -1.26 -4.89 115.64 110.38 1uwk s THR 280 Ca 0.43 0.43 -0.08 0.00 -1.18 0.00 0.00 61.69 61.29 1uwk s THR 280 Cb -0.11 -3.76 0.17 0.00 1.34 0.00 0.00 72.50 70.14 1uwk s THR 280 CO 0.28 -0.54 1.82 -0.25 -0.54 0.00 0.00 174.62 175.39 1uwk h TRP 281 N 1.14 0.77 -0.72 3.99 2.91 -1.98 -0.35 115.95 121.71 1uwk h TRP 281 Ca -0.47 0.03 0.02 0.00 1.13 0.00 0.00 58.89 59.60 1uwk h TRP 281 Cb 1.19 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 29.56 1uwk h TRP 281 CO 0.60 0.36 0.46 1.05 -1.03 0.00 0.00 178.44 179.88 1uwk h GLU 282 N 0.76 0.89 -0.59 2.65 4.11 -1.99 -1.03 114.58 119.39 1uwk h GLU 282 Ca 0.33 -0.05 -0.00 0.00 0.07 0.00 0.00 59.36 59.70 1uwk h GLU 282 Cb 0.21 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1uwk h GLU 282 CO -0.19 0.59 0.35 1.96 0.07 0.00 0.00 179.01 181.79 1uwk h GLN 283 N 0.92 0.80 -0.21 1.06 4.20 -1.77 -0.13 115.11 119.99 1uwk h GLN 283 Ca 0.28 -0.08 0.02 0.00 0.06 0.00 0.00 58.65 58.93 1uwk h GLN 283 Cb -0.03 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 1uwk h GLN 283 CO -0.09 0.58 0.09 -0.92 -0.67 0.00 0.00 178.83 177.82 1uwk h TYR 284 N 0.80 0.16 -0.10 2.96 -0.00 -0.48 -0.73 116.97 119.58 1uwk h TYR 284 Ca 0.21 0.01 -0.15 0.00 -0.00 0.00 0.00 58.73 58.80 1uwk h TYR 284 Cb -0.01 -0.04 -0.01 0.00 -0.00 0.00 0.00 36.73 36.67 1uwk h TYR 284 CO -0.02 0.09 -0.58 0.00 -0.00 0.00 0.00 178.16 177.65 1uwk h ARG 285 N 0.20 0.31 0.02 1.82 2.47 -1.06 -0.58 114.38 117.56 1uwk h ARG 285 Ca 0.09 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1uwk h ARG 285 Cb 0.03 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.38 1uwk h ARG 285 CO -0.07 0.81 -0.01 -0.44 0.56 0.00 0.00 179.97 180.81 1uwk h ASP 286 N 0.23 -0.03 0.29 7.04 3.32 -0.89 -3.16 116.42 123.23 1uwk h ASP 286 Ca -0.00 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 1uwk h ASP 286 Cb 1.09 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.64 1uwk h ASP 286 CO 0.09 0.25 -0.31 0.03 -1.72 0.00 0.00 179.24 177.58 1uwk h ARG 287 N -0.31 0.03 -0.68 3.56 3.08 -1.04 -2.23 114.38 116.80 1uwk h ARG 287 Ca -0.00 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.16 1uwk h ARG 287 Cb 0.29 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1uwk h ARG 287 CO 0.01 0.34 0.45 0.00 -1.07 0.00 0.00 179.97 179.70 1uwk h ALA 288 N 1.67 2.05 0.08 0.04 0.00 -1.07 0.38 119.26 122.41 1uwk h ALA 288 Ca 0.00 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.62 1uwk h ALA 288 Cb 0.56 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1uwk h ALA 288 CO 0.04 -0.22 -1.44 1.96 0.00 0.00 0.00 179.25 179.59 1uwk h GLN 289 N 0.42 0.17 0.19 0.00 7.50 -1.42 -3.28 115.11 118.70 1uwk h GLN 289 Ca 0.32 -0.29 -0.32 0.00 0.50 0.00 0.00 58.65 58.86 1uwk h GLN 289 Cb 0.68 0.11 0.02 0.00 0.05 0.00 0.00 27.48 28.33 1uwk h GLN 289 CO -0.10 1.01 -1.51 1.15 -1.50 0.00 0.00 178.83 177.88 1uwk h THR 290 N 0.05 1.22 -1.24 -0.54 2.02 -1.21 -3.42 112.91 109.79 1uwk h THR 290 Ca -0.20 -2.75 -0.40 0.00 0.77 0.00 0.00 66.41 63.83 1uwk h THR 290 Cb 1.97 2.91 -0.30 0.00 -1.74 0.00 0.00 68.15 70.98 1uwk h THR 290 CO 0.15 0.84 -0.90 -1.84 0.37 0.00 0.00 175.52 174.14 1uwk n GLU 291 N -3.60 0.90 -0.36 6.66 0.28 0.13 -5.02 120.64 119.63 1uwk n GLU 291 Ca -0.17 -2.76 0.06 0.00 -0.16 0.00 0.00 57.16 54.13 1uwk n GLU 291 Cb 1.07 -1.40 0.23 0.00 1.43 0.00 0.00 31.44 32.78 1uwk n GLU 291 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 1uwk h PRO 292 N 3.37 1.00 -0.35 3.44 0.13 -1.64 -2.08 132.00 135.87 1uwk h PRO 292 Ca 0.01 -0.06 -0.11 0.00 -0.87 0.00 0.00 66.00 64.97 1uwk h PRO 292 Cb 0.99 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.88 1uwk h PRO 292 CO 0.38 0.66 -0.22 0.00 -0.23 0.00 0.00 178.00 178.59 1uwk h ALA 293 N 1.52 0.97 -0.15 -0.56 0.00 -1.92 -0.92 119.26 118.20 1uwk h ALA 293 Ca 0.47 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.88 1uwk h ALA 293 Cb 0.40 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1uwk h ALA 293 CO -0.23 0.60 -0.54 0.00 0.00 0.00 0.00 179.25 179.08 1uwk h ALA 294 N 1.16 0.80 -0.22 0.00 0.00 -1.82 -1.84 119.26 117.34 1uwk h ALA 294 Ca 0.09 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1uwk h ALA 294 Cb 0.69 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 1uwk h ALA 294 CO 0.05 0.69 0.07 0.28 0.00 0.00 0.00 179.25 180.34 1uwk h VAL 295 N 0.33 1.19 -0.52 0.00 2.07 -0.94 -1.38 116.25 117.00 1uwk h VAL 295 Ca 0.01 -0.58 0.08 0.00 0.82 0.00 0.00 66.70 67.03 1uwk h VAL 295 Cb 1.05 1.15 -0.07 0.00 -1.52 0.00 0.00 31.29 31.90 1uwk h VAL 295 CO 0.09 0.19 0.14 0.58 0.02 0.00 0.00 177.57 178.59 1uwk h VAL 296 N 0.20 0.75 -0.26 2.57 2.07 -1.07 0.58 116.25 121.09 1uwk h VAL 296 Ca 0.07 -0.10 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 1uwk h VAL 296 Cb 0.22 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1uwk h VAL 296 CO -0.00 0.05 0.15 0.50 0.02 0.00 0.00 177.57 178.29 1uwk h LYS 297 N 0.29 0.37 -0.50 1.57 3.11 -1.15 -0.48 116.57 119.78 1uwk h LYS 297 Ca 0.26 -0.04 -0.06 0.00 -2.81 0.00 0.00 60.65 58.00 1uwk h LYS 297 Cb 0.33 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.46 1uwk h LYS 297 CO -0.30 0.32 0.09 0.00 -2.81 0.00 0.00 179.45 176.74 1uwk h ALA 298 N 1.03 1.20 -0.28 5.00 0.00 -0.84 -0.52 119.26 124.85 1uwk h ALA 298 Ca 0.09 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1uwk h ALA 298 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1uwk h ALA 298 CO -0.02 0.54 0.05 0.00 0.00 0.00 0.00 179.25 179.82 1uwk h ALA 299 N 1.34 0.38 -0.29 0.00 0.00 -0.56 -2.11 119.26 118.02 1uwk h ALA 299 Ca 0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1uwk h ALA 299 Cb 0.33 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1uwk h ALA 299 CO 0.00 0.06 -0.07 0.87 0.00 0.00 0.00 179.25 180.12 1uwk h LYS 300 N 0.29 0.46 -0.44 0.00 1.57 -0.82 0.72 116.57 118.34 1uwk h LYS 300 Ca 0.09 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1uwk h LYS 300 Cb 0.33 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1uwk h LYS 300 CO 0.01 0.54 -0.06 1.96 -0.57 0.00 0.00 179.45 181.32 1uwk h GLN 301 N 0.43 0.76 -0.27 3.15 4.20 -0.92 -0.94 115.11 121.52 1uwk h GLN 301 Ca 0.09 -0.22 -0.15 0.00 0.06 0.00 0.00 58.65 58.43 1uwk h GLN 301 Cb 0.39 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1uwk h GLN 301 CO 0.02 0.81 -0.44 0.77 -0.67 0.00 0.00 178.83 179.32 1uwk h SER 302 N 0.70 0.73 -0.47 1.46 0.02 -0.75 -2.80 113.55 112.44 1uwk h SER 302 Ca 0.13 -0.34 -0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1uwk h SER 302 Cb 0.51 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1uwk h SER 302 CO 0.03 1.06 0.26 0.24 -1.14 0.00 0.00 176.83 177.28 1uwk h MET 303 N 0.55 0.68 -0.66 3.45 2.86 -0.28 -0.88 114.93 120.66 1uwk h MET 303 Ca 0.04 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.56 1uwk h MET 303 Cb 0.98 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.47 1uwk h MET 303 CO 0.09 0.51 0.23 0.00 1.06 0.00 0.00 176.91 178.80 1uwk h ALA 304 N 1.60 1.16 -0.36 6.32 0.00 -0.94 0.16 119.26 127.20 1uwk h ALA 304 Ca 0.18 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1uwk h ALA 304 Cb 0.04 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1uwk h ALA 304 CO -0.03 0.59 -0.42 0.28 0.00 0.00 0.00 179.25 179.67 1uwk h VAL 305 N 0.96 1.27 0.13 0.00 2.07 -1.09 -1.34 116.25 118.25 1uwk h VAL 305 Ca 0.22 -1.60 -0.01 0.00 0.82 0.00 0.00 66.70 66.13 1uwk h VAL 305 Cb 0.24 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 1uwk h VAL 305 CO -0.01 0.53 -0.06 -0.74 0.02 0.00 0.00 177.57 177.31 1uwk h HIS 306 N 0.74 -0.16 -0.51 1.57 6.17 -0.83 -1.76 115.15 120.36 1uwk h HIS 306 Ca 0.05 -0.00 -0.06 0.00 0.71 0.00 0.00 60.37 61.07 1uwk h HIS 306 Cb 1.02 0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.98 1uwk h HIS 306 CO 0.06 -0.07 0.08 0.28 0.71 0.00 0.00 177.93 179.00 1uwk h VAL 307 N -0.21 1.23 -0.49 5.26 2.07 -0.65 -1.64 116.25 121.82 1uwk h VAL 307 Ca -0.02 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 1uwk h VAL 307 Cb 0.17 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 1uwk h VAL 307 CO 0.03 0.32 0.25 -0.61 0.02 0.00 0.00 177.57 177.58 1uwk h GLN 308 N 0.77 0.67 -0.75 1.57 5.75 -0.98 0.77 115.11 122.91 1uwk h GLN 308 Ca 0.16 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.55 1uwk h GLN 308 Cb 0.35 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.73 1uwk h GLN 308 CO 0.01 0.51 0.29 0.00 -2.65 0.00 0.00 178.83 176.98 1uwk h ALA 309 N 1.60 0.98 -0.81 3.38 0.00 -0.43 0.17 119.26 124.16 1uwk h ALA 309 Ca 0.17 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1uwk h ALA 309 Cb 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1uwk h ALA 309 CO -0.03 0.62 0.53 0.52 0.00 0.00 0.00 179.25 180.90 1uwk h MET 310 N 1.10 1.05 -0.53 0.00 2.86 -0.54 -0.13 114.93 118.74 1uwk h MET 310 Ca 0.25 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1uwk h MET 310 Cb 0.24 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 1uwk h MET 310 CO -0.02 0.69 0.14 -0.07 1.06 0.00 0.00 176.91 178.71 1uwk h LEU 311 N 1.08 0.74 -0.54 1.22 3.38 -0.46 -1.06 115.31 119.68 1uwk h LEU 311 Ca 0.30 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 58.02 1uwk h LEU 311 Cb -0.10 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1uwk h LEU 311 CO -0.07 0.72 -0.18 0.44 0.09 0.00 0.00 178.44 179.44 1uwk h ASP 312 N 0.77 1.01 -0.37 -0.43 3.32 -0.03 -0.28 116.42 120.42 1uwk h ASP 312 Ca 0.17 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1uwk h ASP 312 Cb 0.27 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1uwk h ASP 312 CO -0.00 1.16 0.23 -0.26 -1.72 0.00 0.00 179.24 178.65 1uwk h PHE 313 N 0.86 0.48 -0.52 4.55 0.04 -0.78 -2.75 116.94 118.82 1uwk h PHE 313 Ca 0.12 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 1uwk h PHE 313 Cb 0.75 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.72 1uwk h PHE 313 CO 0.05 0.33 0.32 0.37 -0.60 0.00 0.00 178.31 178.78 1uwk h GLN 314 N 0.49 0.70 0.00 1.51 4.15 -0.78 -0.42 115.11 120.76 1uwk h GLN 314 Ca 0.13 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.48 1uwk h GLN 314 Cb -0.02 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.51 1uwk h GLN 314 CO -0.03 0.48 -0.11 0.87 -1.93 0.00 0.00 178.83 178.11 1uwk h LYS 315 N 0.71 0.00 -0.11 1.69 1.57 -0.77 0.13 116.57 119.79 1uwk h LYS 315 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1uwk h LYS 315 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1uwk h LYS 315 CO -0.04 0.11 0.00 1.04 -0.57 0.00 0.00 179.45 179.99 1uwk n GLN 316 N -4.02 1.31 -0.47 3.15 1.13 -0.20 -4.89 117.38 113.39 1uwk n GLN 316 Ca -0.02 -0.47 0.00 0.00 -1.94 0.00 0.00 57.00 54.56 1uwk n GLN 316 Cb 0.20 -1.18 0.00 0.00 0.11 0.00 0.00 30.24 29.37 1uwk n GLN 316 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1uwk n GLY 317 N 0.78 0.75 3.69 1.08 0.00 0.46 -5.04 105.19 106.91 1uwk n GLY 317 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1uwk n GLY 317 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uwk s VAL 318 N -2.38 4.79 -0.01 1.61 1.01 -0.98 -4.98 120.40 119.45 1uwk s VAL 318 Ca 0.00 2.01 -0.33 0.00 0.00 0.00 0.00 61.98 63.66 1uwk s VAL 318 Cb 0.00 -4.30 -0.11 0.00 0.00 0.00 0.00 36.38 31.97 1uwk s VAL 318 CO 0.00 0.00 1.86 -2.65 0.00 0.00 0.00 175.10 174.31 1uwk n PRO 319 N 5.07 2.38 -4.44 2.72 -0.02 -1.26 -4.01 135.00 135.45 1uwk n PRO 319 Ca 0.08 0.87 -0.22 0.00 -2.02 0.00 0.00 63.50 62.22 1uwk n PRO 319 Cb 0.49 -2.74 -0.16 0.00 -0.02 0.00 0.00 33.50 31.07 1uwk n PRO 319 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1uwk s THR 320 N 3.68 0.88 0.08 3.45 2.01 -1.26 -1.30 115.64 123.18 1uwk s THR 320 Ca 0.89 -0.37 -0.14 0.00 0.31 0.00 0.00 61.69 62.38 1uwk s THR 320 Cb -0.62 -0.81 0.02 0.00 0.01 0.00 0.00 72.50 71.11 1uwk s THR 320 CO 0.47 0.28 0.33 0.72 -0.69 0.00 0.00 174.62 175.73 1uwk s PHE 321 N 0.45 -0.10 -0.17 4.92 -0.71 -0.67 -4.22 117.98 117.48 1uwk s PHE 321 Ca -0.08 -0.14 -0.17 0.00 -1.04 0.00 0.00 56.93 55.50 1uwk s PHE 321 Cb -0.12 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 1uwk s PHE 321 CO 0.01 -0.59 0.42 0.34 -1.34 0.00 0.00 175.22 174.07 1uwk s ASP 322 N -2.46 6.53 -0.55 1.98 3.68 -0.20 -4.24 116.67 121.40 1uwk s ASP 322 Ca -0.00 0.63 0.01 0.00 2.13 0.00 0.00 52.55 55.31 1uwk s ASP 322 Cb 0.01 -2.25 0.47 0.00 -1.45 0.00 0.00 42.92 39.70 1uwk s ASP 322 CO -0.08 -0.03 1.80 0.00 0.13 0.00 0.00 175.17 177.00 1uwk n TYR 323 N 4.07 3.03 -1.60 -5.34 -0.00 -1.26 -1.11 117.16 114.95 1uwk n TYR 323 Ca -0.08 -2.72 0.00 0.00 -0.00 0.00 0.00 57.90 55.09 1uwk n TYR 323 Cb 0.51 -1.12 0.00 0.00 -0.00 0.00 0.00 39.34 38.73 1uwk n TYR 323 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1uwk n GLY 324 N -0.89 0.40 0.79 2.98 0.00 -1.26 -4.94 105.19 102.27 1uwk n GLY 324 Ca 0.57 -0.95 0.07 0.00 0.00 0.00 0.00 46.02 45.71 1uwk n GLY 324 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1uwk n ASN 325 N 1.96 3.23 -1.23 1.61 6.94 -1.26 -3.86 115.26 122.65 1uwk n ASN 325 Ca 0.00 -2.13 -0.15 0.00 -0.02 0.00 0.00 54.58 52.28 1uwk n ASN 325 Cb 0.31 -0.31 -0.06 0.00 -2.36 0.00 0.00 39.78 37.36 1uwk n ASN 325 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1uwk n ASN 326 N 0.57 -4.80 0.15 0.53 5.15 -1.26 -1.35 115.26 114.25 1uwk n ASN 326 Ca 0.15 0.33 0.01 0.00 -0.60 0.00 0.00 54.58 54.46 1uwk n ASN 326 Cb 0.52 -3.67 0.29 0.00 -0.53 0.00 0.00 39.78 36.39 1uwk n ASN 326 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 1uwk h ILE 327 N 0.00 1.31 -0.75 -1.44 2.10 -1.94 -2.45 117.51 114.34 1uwk h ILE 327 Ca -0.32 -1.47 -0.05 0.00 1.08 0.00 0.00 64.86 64.11 1uwk h ILE 327 Cb 1.02 1.75 -0.03 0.00 -1.09 0.00 0.00 36.82 38.48 1uwk h ILE 327 CO 0.45 0.42 0.27 0.03 -1.08 0.00 0.00 178.15 178.25 1uwk h ARG 328 N 0.05 1.14 -0.64 2.19 3.08 -1.90 -1.31 114.38 116.99 1uwk h ARG 328 Ca 0.00 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 1uwk h ARG 328 Cb 0.76 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.61 1uwk h ARG 328 CO 0.06 0.95 0.29 0.37 -1.07 0.00 0.00 179.97 180.56 1uwk h GLN 329 N 1.10 0.93 -0.56 0.04 5.75 -1.83 0.93 115.11 121.47 1uwk h GLN 329 Ca 0.25 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.57 1uwk h GLN 329 Cb 0.25 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1uwk h GLN 329 CO -0.02 0.76 0.23 0.52 -2.65 0.00 0.00 178.83 177.67 1uwk h MET 330 N 0.88 0.84 -0.63 1.69 2.86 -1.16 -1.42 114.93 118.00 1uwk h MET 330 Ca 0.22 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1uwk h MET 330 Cb 0.15 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 1uwk h MET 330 CO -0.02 0.73 0.05 0.00 1.06 0.00 0.00 176.91 178.73 1uwk h ALA 331 N 1.07 0.84 -0.58 6.32 0.00 -0.91 -2.39 119.26 123.62 1uwk h ALA 331 Ca 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1uwk h ALA 331 Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1uwk h ALA 331 CO -0.02 0.65 0.32 -0.22 0.00 0.00 0.00 179.25 179.98 1uwk h LYS 332 N 0.98 0.79 0.00 0.00 3.64 -0.52 -0.45 116.57 121.02 1uwk h LYS 332 Ca 0.19 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1uwk h LYS 332 Cb 0.50 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1uwk h LYS 332 CO 0.02 0.58 -0.17 0.93 -2.27 0.00 0.00 179.45 178.55 1uwk h GLU 333 N 0.80 0.00 -0.58 1.90 5.08 -0.83 -1.47 114.58 119.48 1uwk h GLU 333 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1uwk h GLU 333 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1uwk h GLU 333 CO -0.03 0.17 0.00 0.39 -1.00 0.00 0.00 179.01 178.53 1uwk n GLU 334 N -3.43 2.71 0.00 2.33 -0.58 -0.54 -4.92 120.64 116.21 1uwk n GLU 334 Ca -0.01 -1.92 0.00 0.00 -0.42 0.00 0.00 57.16 54.81 1uwk n GLU 334 Cb 0.35 -1.62 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 1uwk n GLU 334 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1uwk n GLY 335 N 0.97 0.66 3.52 0.62 0.00 -0.55 -5.00 105.19 105.40 1uwk n GLY 335 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1uwk n GLY 335 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uwk s VAL 336 N -2.00 4.22 0.47 1.61 1.01 -0.29 -4.83 120.40 120.59 1uwk s VAL 336 Ca 0.00 -1.12 0.15 0.00 0.00 0.00 0.00 61.98 61.01 1uwk s VAL 336 Cb 0.00 -4.97 0.21 0.00 0.00 0.00 0.00 36.38 31.62 1uwk s VAL 336 CO 0.00 -1.79 2.03 0.00 0.00 0.00 0.00 175.10 175.34 1uwk h ALA 337 N 9.34 1.76 -0.82 5.51 0.00 -1.86 -2.06 119.26 131.13 1uwk h ALA 337 Ca 0.20 -0.12 -0.33 0.00 0.00 0.00 0.00 54.91 54.65 1uwk h ALA 337 Cb 1.01 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 18.58 1uwk h ALA 337 CO 1.32 0.17 0.40 -0.40 0.00 0.00 0.00 179.25 180.74 1uwk n ASP 338 N -4.36 4.25 0.03 0.00 5.75 -1.26 -4.62 116.55 116.33 1uwk n ASP 338 Ca -0.03 -3.41 0.16 0.00 -0.01 0.00 0.00 54.79 51.50 1uwk n ASP 338 Cb 0.21 -0.78 0.64 0.00 -1.03 0.00 0.00 41.12 40.16 1uwk n ASP 338 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1uwk h ALA 339 N 1.88 2.30 -0.26 2.12 0.00 -1.69 -0.01 119.26 123.61 1uwk h ALA 339 Ca 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1uwk h ALA 339 Cb 2.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.30 1uwk h ALA 339 CO 0.86 -0.43 0.00 1.19 0.00 0.00 0.00 179.25 180.88 1uwk n PHE 340 N -4.43 0.77 0.46 0.00 3.01 -1.26 -4.01 117.46 112.01 1uwk n PHE 340 Ca 0.08 -0.28 0.11 0.00 1.01 0.00 0.00 57.45 58.36 1uwk n PHE 340 Cb 0.46 -0.21 0.44 0.00 -0.01 0.00 0.00 39.48 40.17 1uwk n PHE 340 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1uwk n ASP 341 N 0.30 0.48 -4.50 4.37 10.43 -0.02 -4.57 116.55 123.05 1uwk n ASP 341 Ca 0.11 0.61 -0.31 0.00 2.57 0.00 0.00 54.79 57.78 1uwk n ASP 341 Cb 0.56 -0.72 -0.12 0.00 1.84 0.00 0.00 41.12 42.69 1uwk n ASP 341 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1uwk s PHE 342 N -3.21 2.64 0.61 1.24 -0.71 -1.26 -5.13 117.98 112.16 1uwk s PHE 342 Ca 0.06 -0.20 -0.02 0.00 -1.04 0.00 0.00 56.93 55.72 1uwk s PHE 342 Cb 0.10 -1.48 0.04 0.00 -1.21 0.00 0.00 43.02 40.47 1uwk s PHE 342 CO 0.38 0.31 0.87 -1.25 -1.34 0.00 0.00 175.22 174.18 1uwk s PRO 343 N -1.58 2.46 0.54 1.99 0.04 -1.26 -4.78 135.00 132.41 1uwk s PRO 343 Ca 0.16 -0.52 -0.11 0.00 0.04 0.00 0.00 61.00 60.57 1uwk s PRO 343 Cb -0.11 -2.36 -0.05 0.00 0.04 0.00 0.00 34.50 32.03 1uwk s PRO 343 CO 0.07 -0.89 0.94 0.20 0.04 0.00 0.00 177.00 177.36 1uwk s GLY 344 N -4.44 1.77 0.49 0.56 0.00 -1.26 -1.03 107.32 103.41 1uwk s GLY 344 Ca 0.58 -0.11 0.22 0.00 0.00 0.00 0.00 44.72 45.40 1uwk s GLY 344 CO 0.41 0.13 2.05 0.27 0.00 0.00 0.00 173.10 175.96 1uwk h PHE 345 N 0.31 0.00 0.08 1.90 -5.15 -1.46 -2.51 116.94 110.10 1uwk h PHE 345 Ca -0.46 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.31 1uwk h PHE 345 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.36 1uwk h PHE 345 CO 0.63 0.14 -0.04 0.28 -2.00 0.00 0.00 178.31 177.33 1uwk h VAL 346 N 0.00 1.03 -0.04 0.88 2.07 -1.86 0.13 116.25 118.46 1uwk h VAL 346 Ca -0.00 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 1uwk h VAL 346 Cb 0.32 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 1uwk h VAL 346 CO 0.02 0.31 -0.15 1.55 0.02 0.00 0.00 177.57 179.32 1uwk h PRO 347 N -0.90 0.06 -0.10 1.57 0.13 -1.78 -0.01 132.00 130.97 1uwk h PRO 347 Ca -0.01 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.91 1uwk h PRO 347 Cb 0.58 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.71 1uwk h PRO 347 CO 0.02 0.21 -0.73 0.00 -0.23 0.00 0.00 178.00 177.27 1uwk h ALA 348 N 1.80 0.22 0.00 -0.56 0.00 -1.45 -3.44 119.26 115.83 1uwk h ALA 348 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1uwk h ALA 348 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1uwk h ALA 348 CO 0.02 0.56 -0.50 0.66 0.00 0.00 0.00 179.25 179.99 1uwk n TYR 349 N -4.04 0.00 -0.02 0.00 4.01 0.00 -4.95 117.16 112.16 1uwk n TYR 349 Ca -0.09 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.73 1uwk n TYR 349 Cb 0.72 0.09 -0.16 0.00 -0.31 0.00 0.00 39.34 39.68 1uwk n TYR 349 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1uwk n ILE 350 N -2.28 0.28 -0.32 -0.72 2.08 -0.79 -4.53 119.36 113.09 1uwk n ILE 350 Ca 0.00 -0.57 0.14 0.00 0.56 0.00 0.00 62.75 62.88 1uwk n ILE 350 Cb 0.25 -0.11 0.37 0.00 -0.75 0.00 0.00 39.64 39.40 1uwk n ILE 350 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1uwk h ARG 351 N 0.00 0.67 -0.04 0.38 2.43 -1.30 -0.30 114.38 116.23 1uwk h ARG 351 Ca -0.10 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.04 1uwk h ARG 351 Cb 1.23 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.62 1uwk h ARG 351 CO 0.01 0.45 0.03 -1.35 -1.51 0.00 0.00 179.97 177.59 1uwk h PRO 352 N 0.69 0.00 -0.35 0.20 0.11 -1.86 -0.49 132.00 130.31 1uwk h PRO 352 Ca 0.52 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.57 1uwk h PRO 352 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1uwk h PRO 352 CO -0.29 0.00 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.38 1uwk h LEU 353 N 0.00 0.64 -1.68 2.35 3.38 -1.37 -2.92 115.31 115.72 1uwk h LEU 353 Ca 0.02 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 1uwk h LEU 353 Cb 0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1uwk h LEU 353 CO -0.00 0.83 -0.11 -0.26 0.09 0.00 0.00 178.44 178.99 1uwk h PHE 354 N 0.44 0.07 0.00 1.13 0.04 -1.11 -1.12 116.94 116.38 1uwk h PHE 354 Ca 0.09 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.86 1uwk h PHE 354 Cb 0.53 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.66 1uwk h PHE 354 CO 0.04 0.18 0.00 0.00 -0.60 0.00 0.00 178.31 177.93 1uwk n ARG 356 N -2.53 3.19 -1.00 0.00 1.74 -0.54 -3.94 116.66 113.58 1uwk n ARG 356 Ca -0.00 -2.59 -0.00 0.00 -0.77 0.00 0.00 57.85 54.48 1uwk n ARG 356 Cb 0.14 -1.67 -0.00 0.00 -1.02 0.00 0.00 32.46 29.91 1uwk n ARG 356 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1uwk n GLY 357 N 0.33 0.37 3.74 -0.13 0.00 -0.05 -1.93 105.19 107.51 1uwk n GLY 357 Ca 0.19 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1uwk n GLY 357 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uwk s VAL 358 N -1.72 3.91 0.01 1.61 1.01 -0.54 -3.98 120.40 120.70 1uwk s VAL 358 Ca 0.00 1.68 -0.06 0.00 0.00 0.00 0.00 61.98 63.60 1uwk s VAL 358 Cb 0.00 -4.07 0.02 0.00 0.00 0.00 0.00 36.38 32.33 1uwk s VAL 358 CO 0.00 0.30 0.26 0.61 0.00 0.00 0.00 175.10 176.27 1uwk n GLY 359 N 1.97 0.70 2.24 4.51 0.00 -1.20 -3.79 105.19 109.61 1uwk n GLY 359 Ca 0.02 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 44.87 1uwk n GLY 359 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1uwk n PRO 360 N -0.18 2.85 -1.74 1.61 -0.04 -1.26 -3.56 135.00 132.68 1uwk n PRO 360 Ca 0.01 -1.65 -0.42 0.00 -0.04 0.00 0.00 63.50 61.40 1uwk n PRO 360 Cb 0.12 -2.45 -0.01 0.00 -0.04 0.00 0.00 33.50 31.12 1uwk n PRO 360 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1uwk n PHE 361 N 3.25 2.75 -3.71 0.54 7.35 -1.26 -3.17 117.46 123.20 1uwk n PHE 361 Ca 0.61 0.35 -0.10 0.00 -0.76 0.00 0.00 57.45 57.55 1uwk n PHE 361 Cb 0.46 -2.55 -0.04 0.00 0.35 0.00 0.00 39.48 37.70 1uwk n PHE 361 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 1uwk s ARG 362 N -0.99 1.32 0.13 -4.13 1.70 -0.82 -1.22 118.95 114.94 1uwk s ARG 362 Ca 0.61 -0.82 -0.14 0.00 -0.47 0.00 0.00 55.73 54.91 1uwk s ARG 362 Cb -0.52 0.51 0.02 0.00 -0.57 0.00 0.00 34.95 34.40 1uwk s ARG 362 CO 0.53 -0.55 0.36 1.67 -1.08 0.00 0.00 175.30 176.23 1uwk s TRP 363 N -3.86 -0.05 0.01 5.89 -2.14 -0.57 -0.86 118.94 117.37 1uwk s TRP 363 Ca 0.08 -0.30 0.02 0.00 2.66 0.00 0.00 56.10 58.56 1uwk s TRP 363 Cb -0.00 0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.53 1uwk s TRP 363 CO -0.05 -0.70 -0.07 0.00 -2.66 0.00 0.00 176.95 173.47 1uwk s ALA 364 N -3.84 0.53 -0.53 2.67 0.00 -0.37 -0.82 121.76 119.40 1uwk s ALA 364 Ca 0.06 -0.46 -0.22 0.00 0.00 0.00 0.00 51.96 51.34 1uwk s ALA 364 Cb 0.02 -0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.13 1uwk s ALA 364 CO -0.09 0.07 0.81 0.00 0.00 0.00 0.00 175.76 176.55 1uwk s ALA 365 N -0.62 3.25 0.46 0.00 0.00 0.02 -1.29 121.76 123.58 1uwk s ALA 365 Ca -0.02 -1.41 0.38 0.00 0.00 0.00 0.00 51.96 50.91 1uwk s ALA 365 Cb -0.05 -3.58 1.95 0.00 0.00 0.00 0.00 23.12 21.44 1uwk s ALA 365 CO 0.00 -2.22 2.21 -0.07 0.00 0.00 0.00 175.76 175.68 1uwk h LEU 366 N 10.45 0.00 -1.83 0.00 3.38 -1.77 -2.13 115.31 123.41 1uwk h LEU 366 Ca -0.27 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.69 1uwk h LEU 366 Cb 1.08 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.83 1uwk h LEU 366 CO 1.03 0.02 -0.08 0.77 0.09 0.00 0.00 178.44 180.27 1uwk h SER 367 N 0.00 0.00 0.00 -0.43 4.64 -1.81 -3.35 113.55 112.61 1uwk h SER 367 Ca -0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1uwk h SER 367 Cb 0.20 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1uwk h SER 367 CO 0.00 0.08 0.00 0.61 -0.87 0.00 0.00 176.83 176.66 1uwk n GLY 368 N -1.30 0.76 3.64 -0.77 0.00 -0.80 -0.41 105.19 106.31 1uwk n GLY 368 Ca -0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 1uwk n GLY 368 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uwk s GLU 369 N -0.46 4.10 0.33 1.61 2.02 -1.26 -4.61 118.70 120.43 1uwk s GLU 369 Ca 0.00 0.19 0.05 0.00 0.02 0.00 0.00 54.97 55.23 1uwk s GLU 369 Cb 0.00 -3.60 0.69 0.00 0.10 0.00 0.00 34.13 31.32 1uwk s GLU 369 CO 0.00 -0.18 1.89 0.00 0.02 0.00 0.00 175.26 176.99 1uwk h ALA 370 N 7.75 1.68 0.00 5.21 0.00 -1.96 -1.47 119.26 130.47 1uwk h ALA 370 Ca -0.33 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1uwk h ALA 370 Cb 1.16 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1uwk h ALA 370 CO 0.69 0.13 -0.13 1.49 0.00 0.00 0.00 179.25 181.43 1uwk h GLU 371 N 0.84 0.00 -0.92 0.00 4.81 -1.99 -0.25 114.58 117.06 1uwk h GLU 371 Ca 0.42 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.65 1uwk h GLU 371 Cb 0.47 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 1uwk h GLU 371 CO -0.18 0.13 0.57 -0.44 -0.73 0.00 0.00 179.01 178.36 1uwk h ASP 372 N 0.00 1.10 -0.15 1.04 3.32 -1.65 0.24 116.42 120.32 1uwk h ASP 372 Ca -0.00 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.85 1uwk h ASP 372 Cb 0.27 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1uwk h ASP 372 CO 0.02 0.83 -0.39 0.40 -1.72 0.00 0.00 179.24 178.38 1uwk h ILE 373 N 1.27 1.29 -0.59 0.35 1.08 -1.12 -1.76 117.51 118.03 1uwk h ILE 373 Ca 0.33 -1.56 -0.04 0.00 -0.39 0.00 0.00 64.86 63.21 1uwk h ILE 373 Cb -0.07 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 1uwk h ILE 373 CO -0.06 0.50 0.21 1.88 -0.69 0.00 0.00 178.15 179.99 1uwk h TYR 374 N 0.56 0.87 -0.56 1.37 0.05 -0.78 0.15 116.97 118.62 1uwk h TYR 374 Ca 0.05 -0.06 -0.06 0.00 0.05 0.00 0.00 58.73 58.71 1uwk h TYR 374 Cb 0.92 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 38.37 1uwk h TYR 374 CO 0.04 0.69 0.10 0.87 -1.05 0.00 0.00 178.16 178.81 1uwk h LYS 375 N 0.85 0.92 -0.47 4.88 1.57 -0.74 -1.43 116.57 122.15 1uwk h LYS 375 Ca 0.20 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1uwk h LYS 375 Cb 0.20 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 1uwk h LYS 375 CO -0.01 0.88 0.02 1.79 -0.57 0.00 0.00 179.45 181.56 1uwk h THR 376 N 0.81 1.23 -0.65 -0.16 1.35 -0.61 -1.30 112.91 113.59 1uwk h THR 376 Ca 0.17 -0.94 0.01 0.00 -0.55 0.00 0.00 66.41 65.10 1uwk h THR 376 Cb 0.40 0.85 -0.03 0.00 -1.73 0.00 0.00 68.15 67.64 1uwk h THR 376 CO 0.01 0.33 0.43 0.44 -0.25 0.00 0.00 175.52 176.48 1uwk h ASP 377 N 0.71 0.76 -0.62 5.36 3.32 -0.31 0.32 116.42 125.95 1uwk h ASP 377 Ca 0.14 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 1uwk h ASP 377 Cb 0.40 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1uwk h ASP 377 CO 0.01 0.55 0.20 0.00 -1.72 0.00 0.00 179.24 178.29 1uwk h ALA 378 N 1.24 1.12 -0.45 3.45 0.00 -1.07 -1.90 119.26 121.65 1uwk h ALA 378 Ca 0.24 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1uwk h ALA 378 Cb -0.10 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1uwk h ALA 378 CO -0.05 0.60 -0.21 -0.22 0.00 0.00 0.00 179.25 179.37 1uwk h LYS 379 N 0.96 0.90 -0.50 0.00 1.63 -0.51 -1.89 116.57 117.16 1uwk h LYS 379 Ca 0.21 -0.37 -0.01 0.00 -0.85 0.00 0.00 60.65 59.63 1uwk h LYS 379 Cb 0.28 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 1uwk h LYS 379 CO -0.01 1.02 0.26 0.28 -3.45 0.00 0.00 179.45 177.55 1uwk h VAL 380 N 0.78 1.18 -0.81 2.00 2.07 -0.61 0.76 116.25 121.61 1uwk h VAL 380 Ca 0.11 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.23 1uwk h VAL 380 Cb 0.76 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1uwk h VAL 380 CO 0.06 0.19 0.53 0.11 0.02 0.00 0.00 177.57 178.48 1uwk h LYS 381 N 0.66 0.81 -0.24 1.57 1.57 -1.13 0.13 116.57 119.94 1uwk h LYS 381 Ca 0.17 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.74 1uwk h LYS 381 Cb 0.07 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1uwk h LYS 381 CO -0.03 0.54 -0.51 1.49 -0.57 0.00 0.00 179.45 180.37 1uwk h GLU 382 N 0.83 0.68 0.00 3.15 4.81 -0.62 -2.88 114.58 120.55 1uwk h GLU 382 Ca 0.36 -0.41 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1uwk h GLU 382 Cb 0.31 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.73 1uwk h GLU 382 CO -0.13 1.03 0.00 -0.07 -0.73 0.00 0.00 179.01 179.11 1uwk h LEU 383 N 0.53 0.00 -5.91 1.64 3.38 -0.00 -3.34 115.31 111.62 1uwk h LEU 383 Ca 0.02 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.42 1uwk h LEU 383 Cb 1.07 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.42 1uwk h LEU 383 CO 0.10 0.00 -0.82 -0.38 0.09 0.00 0.00 178.44 177.43 1uwk n ILE 384 N -3.02 1.38 0.45 1.22 5.41 0.37 -4.95 119.36 120.22 1uwk n ILE 384 Ca 0.04 -4.91 0.13 0.00 1.00 0.00 0.00 62.75 59.01 1uwk n ILE 384 Cb 0.50 -1.62 0.47 0.00 -0.71 0.00 0.00 39.64 38.28 1uwk n ILE 384 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 1uwk h PRO 385 N 3.68 0.00 -0.28 0.38 0.13 -1.64 -3.27 132.00 131.00 1uwk h PRO 385 Ca 0.14 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.14 1uwk h PRO 385 Cb 0.73 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.78 1uwk h PRO 385 CO 0.69 0.00 -0.11 -0.25 -0.23 0.00 0.00 178.00 178.10 1uwk n ASP 386 N -2.39 2.59 -4.01 1.44 8.00 -1.26 -4.84 116.55 116.08 1uwk n ASP 386 Ca 0.03 -3.64 -0.32 0.00 0.71 0.00 0.00 54.79 51.57 1uwk n ASP 386 Cb 0.32 -0.60 -0.13 0.00 -0.02 0.00 0.00 41.12 40.69 1uwk n ASP 386 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1uwk s ASP 387 N -2.55 4.70 0.34 -2.24 -1.08 -1.23 -4.97 116.67 109.63 1uwk s ASP 387 Ca 0.43 -2.77 0.14 0.00 -0.52 0.00 0.00 52.55 49.83 1uwk s ASP 387 Cb 0.39 -1.71 0.58 0.00 -1.46 0.00 0.00 42.92 40.72 1uwk s ASP 387 CO 0.00 -0.31 1.72 0.00 0.52 0.00 0.00 175.17 177.10 1uwk h ALA 388 N 6.92 1.09 -0.59 3.66 0.00 -1.91 -1.02 119.26 127.40 1uwk h ALA 388 Ca -0.06 -0.43 0.02 0.00 0.00 0.00 0.00 54.91 54.45 1uwk h ALA 388 Cb 0.94 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1uwk h ALA 388 CO 0.67 0.58 0.37 1.25 0.00 0.00 0.00 179.25 182.12 1uwk h HIS 389 N 0.00 0.69 -0.39 0.00 -0.00 -1.99 0.05 115.15 113.52 1uwk h HIS 389 Ca -0.00 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.30 1uwk h HIS 389 Cb 0.90 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.08 1uwk h HIS 389 CO 0.00 0.40 -0.11 1.25 -0.00 0.00 0.00 177.93 179.48 1uwk h LEU 390 N 0.73 0.77 -0.89 0.26 6.46 -1.89 -0.45 115.31 120.30 1uwk h LEU 390 Ca 0.24 -0.37 -0.02 0.00 -0.12 0.00 0.00 57.88 57.61 1uwk h LEU 390 Cb 0.00 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 39.68 1uwk h LEU 390 CO -0.09 0.96 0.49 0.45 -0.62 0.00 0.00 178.44 179.63 1uwk h HIS 391 N 0.56 1.22 -0.58 1.25 3.86 -0.98 -1.25 115.15 119.22 1uwk h HIS 391 Ca 0.10 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 1uwk h HIS 391 Cb 0.63 -0.39 -0.02 0.00 1.06 0.00 0.00 27.41 28.69 1uwk h HIS 391 CO 0.05 0.84 0.08 -0.09 0.86 0.00 0.00 177.93 179.67 1uwk h ARG 392 N 1.24 0.94 -0.11 2.45 9.65 -0.80 -1.12 114.38 126.62 1uwk h ARG 392 Ca 0.31 -0.23 0.04 0.00 -1.10 0.00 0.00 59.98 59.00 1uwk h ARG 392 Cb 0.02 -0.12 -0.04 0.00 -1.39 0.00 0.00 29.97 28.43 1uwk h ARG 392 CO -0.05 0.88 -0.15 2.35 2.80 0.00 0.00 179.97 185.79 1uwk h TRP 393 N 0.88 -0.39 -0.12 2.20 2.91 -0.28 0.63 115.95 121.79 1uwk h TRP 393 Ca 0.18 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 60.15 1uwk h TRP 393 Cb 0.41 0.19 -0.01 0.00 -0.51 0.00 0.00 29.16 29.24 1uwk h TRP 393 CO 0.03 -0.22 -0.25 -0.07 -1.03 0.00 0.00 178.44 176.89 1uwk h LEU 394 N -0.20 0.20 -0.37 0.65 3.38 -0.92 0.88 115.31 118.93 1uwk h LEU 394 Ca 0.09 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1uwk h LEU 394 Cb 0.33 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1uwk h LEU 394 CO -0.23 0.47 -0.12 0.44 0.09 0.00 0.00 178.44 179.09 1uwk h ASP 395 N 0.19 0.74 -0.67 -0.43 3.32 -0.59 -1.16 116.42 117.82 1uwk h ASP 395 Ca 0.03 -0.38 -0.07 0.00 0.02 0.00 0.00 57.03 56.64 1uwk h ASP 395 Cb 0.56 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1uwk h ASP 395 CO 0.04 0.95 0.17 0.24 -1.72 0.00 0.00 179.24 178.92 1uwk h MET 396 N 0.52 1.08 -0.04 3.56 2.86 -0.42 -1.44 114.93 121.05 1uwk h MET 396 Ca 0.09 -0.25 0.01 0.00 -2.06 0.00 0.00 59.70 57.49 1uwk h MET 396 Cb 0.64 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1uwk h MET 396 CO 0.04 0.95 -0.02 0.00 1.06 0.00 0.00 176.91 178.95 1uwk h ALA 397 N 1.15 0.02 -0.94 6.32 0.00 -0.75 0.29 119.26 125.35 1uwk h ALA 397 Ca 0.22 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1uwk h ALA 397 Cb 0.35 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 1uwk h ALA 397 CO 0.00 -0.50 0.60 -0.09 0.00 0.00 0.00 179.25 179.26 1uwk h ARG 398 N -0.01 1.09 0.12 0.00 9.65 -1.00 0.09 114.38 124.32 1uwk h ARG 398 Ca 0.02 -0.07 -0.28 0.00 -1.10 0.00 0.00 59.98 58.56 1uwk h ARG 398 Cb 0.04 -0.25 0.01 0.00 -1.39 0.00 0.00 29.97 28.39 1uwk h ARG 398 CO -0.05 0.72 -1.22 1.49 2.80 0.00 0.00 179.97 183.72 1uwk h GLU 399 N 1.12 0.41 0.00 0.20 4.81 -0.91 -3.41 114.58 116.81 1uwk h GLU 399 Ca 0.39 -0.60 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 1uwk h GLU 399 Cb 0.10 0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1uwk h GLU 399 CO -0.15 1.26 -0.61 0.54 -0.73 0.00 0.00 179.01 179.32 1uwk n ARG 400 N -3.66 2.43 -3.57 1.92 5.12 0.99 -4.96 116.66 114.94 1uwk n ARG 400 Ca -0.10 0.00 -0.38 0.00 -1.93 0.00 0.00 57.85 55.43 1uwk n ARG 400 Cb 0.99 -0.79 -0.11 0.00 -1.16 0.00 0.00 32.46 31.40 1uwk n ARG 400 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1uwk s ILE 401 N -1.50 5.30 0.23 0.55 1.01 0.01 -4.89 121.20 121.91 1uwk s ILE 401 Ca 0.00 0.13 -0.15 0.00 0.00 0.00 0.00 60.65 60.63 1uwk s ILE 401 Cb 0.00 -3.57 -0.08 0.00 0.01 0.00 0.00 42.46 38.82 1uwk s ILE 401 CO 0.00 0.20 0.65 -0.44 0.00 0.00 0.00 174.94 175.35 1uwk s SER 402 N 1.75 6.85 0.52 3.58 0.01 -1.26 -4.77 113.70 120.38 1uwk s SER 402 Ca 0.07 1.21 -0.20 0.00 1.31 0.00 0.00 55.95 58.34 1uwk s SER 402 Cb -0.16 -2.34 -0.06 0.00 0.21 0.00 0.00 66.02 63.66 1uwk s SER 402 CO 0.11 -0.03 1.12 -0.36 0.41 0.00 0.00 173.24 174.49 1uwk s PHE 403 N -1.69 2.75 -0.13 2.43 0.08 -1.26 -4.96 117.98 115.21 1uwk s PHE 403 Ca 0.46 1.55 -0.00 0.00 0.12 0.00 0.00 56.93 59.05 1uwk s PHE 403 Cb -0.13 -3.27 0.02 0.00 -0.57 0.00 0.00 43.02 39.07 1uwk s PHE 403 CO 0.19 -1.45 -0.11 -0.65 -0.10 0.00 0.00 175.22 173.11 1uwk s GLN 404 N -3.17 1.88 4.92 0.44 -0.21 -1.26 -5.04 119.66 117.21 1uwk s GLN 404 Ca 0.70 -0.39 0.00 0.00 0.02 0.00 0.00 55.36 55.69 1uwk s GLN 404 Cb -0.24 -1.81 0.00 0.00 1.00 0.00 0.00 33.01 31.96 1uwk s GLN 404 CO 0.27 -0.24 0.00 0.41 -2.12 0.00 0.00 175.29 173.61 1uwk n GLY 405 N 4.83 1.78 3.70 3.09 0.00 -1.26 -4.65 105.19 112.68 1uwk n GLY 405 Ca -0.15 -0.59 -0.44 0.00 0.00 0.00 0.00 46.02 44.85 1uwk n GLY 405 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1uwk n LEU 406 N 0.00 3.67 -4.67 0.99 4.77 -1.26 -4.88 117.00 115.61 1uwk n LEU 406 Ca 0.00 1.11 -0.45 0.00 -0.03 0.00 0.00 56.01 56.64 1uwk n LEU 406 Cb 0.00 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 39.55 1uwk n LEU 406 CO 0.00 -0.10 1.06 -2.65 -1.33 0.00 0.00 177.39 174.37 1uwk n PRO 407 N 2.86 2.07 -3.94 3.23 -0.02 -1.26 -4.81 135.00 133.13 1uwk n PRO 407 Ca 0.13 0.74 -0.09 0.00 -2.02 0.00 0.00 63.50 62.26 1uwk n PRO 407 Cb 0.33 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.32 1uwk n PRO 407 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1uwk s ALA 408 N 0.17 -0.06 -0.01 3.55 0.00 -1.26 -0.80 121.76 123.34 1uwk s ALA 408 Ca 0.71 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 1uwk s ALA 408 Cb -0.65 0.84 0.02 0.00 0.00 0.00 0.00 23.12 23.32 1uwk s ALA 408 CO 0.47 -0.64 0.02 0.50 0.00 0.00 0.00 175.76 176.11 1uwk s ARG 409 N -3.96 -0.02 -0.09 0.00 6.06 0.00 -4.99 118.95 115.96 1uwk s ARG 409 Ca 0.16 0.13 -0.14 0.00 -2.50 0.00 0.00 55.73 53.37 1uwk s ARG 409 Cb 0.03 -0.15 -0.05 0.00 0.06 0.00 0.00 34.95 34.84 1uwk s ARG 409 CO -0.01 -0.11 0.35 -1.50 -2.50 0.00 0.00 175.30 171.53 1uwk s ILE 410 N 0.67 5.21 -0.29 4.11 1.10 -1.26 -1.51 121.20 129.22 1uwk s ILE 410 Ca -0.06 0.69 0.05 0.00 -0.51 0.00 0.00 60.65 60.82 1uwk s ILE 410 Cb -0.08 -3.67 0.18 0.00 0.15 0.00 0.00 42.46 39.05 1uwk s ILE 410 CO -0.02 0.47 0.52 0.00 -2.11 0.00 0.00 174.94 173.81 1uwk s TRP 412 N 2.67 1.44 0.06 0.00 0.52 -1.26 -4.29 118.94 118.08 1uwk s TRP 412 Ca 0.10 0.49 -0.05 0.00 0.02 0.00 0.00 56.10 56.67 1uwk s TRP 412 Cb -0.11 -4.02 -0.02 0.00 -1.15 0.00 0.00 33.47 28.17 1uwk s TRP 412 CO -0.27 -3.77 0.07 0.14 0.02 0.00 0.00 176.95 173.15 1uwk s VAL 413 N 7.35 0.18 0.00 4.03 -7.23 -1.23 -4.85 120.40 118.64 1uwk s VAL 413 Ca 0.91 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.63 1uwk s VAL 413 Cb -0.30 -1.35 0.00 0.00 0.56 0.00 0.00 36.38 35.29 1uwk s VAL 413 CO 0.35 -0.80 0.00 0.61 -0.31 0.00 0.00 175.10 174.94 1uwk n GLY 414 N 0.15 5.77 3.70 2.32 0.00 -1.26 -3.23 105.19 112.64 1uwk n GLY 414 Ca -0.15 -1.76 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 1uwk n GLY 414 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1uwk s LEU 415 N 0.00 4.38 0.00 0.99 2.96 -0.81 -2.06 118.68 124.13 1uwk s LEU 415 Ca 0.00 2.69 0.00 0.00 -0.22 0.00 0.00 54.13 56.60 1uwk s LEU 415 Cb 0.00 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.11 1uwk s LEU 415 CO 0.00 -0.94 0.00 0.61 -1.32 0.00 0.00 176.35 174.70 1uwk n GLY 416 N 4.04 2.78 0.12 7.98 0.00 -1.26 -4.82 105.19 114.03 1uwk n GLY 416 Ca 0.16 -0.71 -0.01 0.00 0.00 0.00 0.00 46.02 45.45 1uwk n GLY 416 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1uwk h LEU 417 N 0.00 0.00 -0.42 0.99 3.38 -1.89 -2.97 115.31 114.40 1uwk h LEU 417 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 1uwk h LEU 417 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1uwk h LEU 417 CO 0.00 0.67 0.17 0.03 0.09 0.00 0.00 178.44 179.41 1uwk h ARG 418 N 0.00 0.34 -0.29 1.13 3.08 -1.69 -0.77 114.38 116.18 1uwk h ARG 418 Ca -0.01 -0.02 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 1uwk h ARG 418 Cb 1.29 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.25 1uwk h ARG 418 CO 0.09 0.23 -0.32 0.00 -1.07 0.00 0.00 179.97 178.89 1uwk h ALA 419 N 1.25 0.89 -0.54 0.04 0.00 -1.65 -0.73 119.26 118.52 1uwk h ALA 419 Ca 0.19 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1uwk h ALA 419 Cb 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1uwk h ALA 419 CO -0.17 0.63 0.36 -0.22 0.00 0.00 0.00 179.25 179.84 1uwk h LYS 420 N 0.54 0.71 -0.18 0.00 3.64 -1.27 -0.52 116.57 119.48 1uwk h LYS 420 Ca 0.06 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 1uwk h LYS 420 Cb 0.82 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1uwk h LYS 420 CO 0.07 0.47 0.02 -0.07 -2.27 0.00 0.00 179.45 177.66 1uwk h LEU 421 N 0.73 0.29 -0.85 5.20 3.38 -0.97 -1.80 115.31 121.29 1uwk h LEU 421 Ca 0.20 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1uwk h LEU 421 Cb -0.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1uwk h LEU 421 CO -0.05 0.50 -0.30 1.23 0.09 0.00 0.00 178.44 179.91 1uwk h GLY 422 N 0.08 0.55 1.04 0.83 0.00 -0.87 -0.06 103.07 104.64 1uwk h GLY 422 Ca 0.05 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1uwk h GLY 422 CO 0.01 0.44 0.04 1.41 0.00 0.00 0.00 176.54 178.44 1uwk h LEU 423 N 0.44 0.96 -0.58 3.11 3.38 -1.05 -1.32 115.31 120.25 1uwk h LEU 423 Ca 0.06 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1uwk h LEU 423 Cb 0.74 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1uwk h LEU 423 CO 0.06 1.00 0.34 0.00 0.09 0.00 0.00 178.44 179.93 1uwk h ALA 424 N 0.99 0.74 -0.82 1.53 0.00 -0.81 -1.58 119.26 119.30 1uwk h ALA 424 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1uwk h ALA 424 Cb 0.49 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1uwk h ALA 424 CO 0.02 0.24 0.39 0.74 0.00 0.00 0.00 179.25 180.64 1uwk h PHE 425 N 0.79 1.19 -0.45 0.00 0.04 -0.82 -1.25 116.94 116.44 1uwk h PHE 425 Ca 0.21 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.87 1uwk h PHE 425 Cb 0.01 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 37.77 1uwk h PHE 425 CO -0.02 0.87 0.08 -0.97 -0.60 0.00 0.00 178.31 177.67 1uwk h ASN 426 N 1.18 0.65 0.12 2.17 -1.24 -0.90 -1.10 115.58 116.46 1uwk h ASN 426 Ca 0.28 -0.12 -0.11 0.00 0.71 0.00 0.00 56.30 57.07 1uwk h ASN 426 Cb 0.13 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 1uwk h ASN 426 CO -0.03 0.67 -0.38 -0.33 -1.29 0.00 0.00 177.43 176.06 1uwk h GLU 427 N 0.67 0.35 -0.34 6.67 4.39 -0.70 -1.76 114.58 123.87 1uwk h GLU 427 Ca 0.15 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1uwk h GLU 427 Cb 0.30 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1uwk h GLU 427 CO 0.00 0.69 -0.16 0.52 -1.16 0.00 0.00 179.01 178.90 1uwk h MET 428 N 0.30 0.61 -0.23 2.33 2.86 -0.45 -0.49 114.93 119.86 1uwk h MET 428 Ca 0.03 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.40 1uwk h MET 428 Cb 0.81 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 1uwk h MET 428 CO 0.06 0.74 -0.14 0.28 1.06 0.00 0.00 176.91 178.91 1uwk h VAL 429 N 0.55 1.31 -0.95 -2.22 2.07 -0.96 -1.18 116.25 114.87 1uwk h VAL 429 Ca 0.09 -1.24 -0.00 0.00 0.82 0.00 0.00 66.70 66.37 1uwk h VAL 429 Cb 0.59 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 1uwk h VAL 429 CO 0.04 0.38 0.59 -0.09 0.02 0.00 0.00 177.57 178.51 1uwk h ARG 430 N 0.21 1.27 0.00 1.57 2.43 -1.11 -2.38 114.38 116.37 1uwk h ARG 430 Ca 0.05 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1uwk h ARG 430 Cb 0.66 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1uwk h ARG 430 CO 0.04 0.87 0.00 -1.13 -1.51 0.00 0.00 179.97 178.24 1uwk n SER 431 N -4.36 0.74 0.00 -3.80 3.41 -0.21 -4.91 113.62 104.49 1uwk n SER 431 Ca 0.11 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 1uwk n SER 431 Cb 0.04 -0.78 0.00 0.00 -0.26 0.00 0.00 64.21 63.21 1uwk n SER 431 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uwk n GLY 432 N 1.08 0.79 0.33 5.00 0.00 -0.90 -4.93 105.19 106.56 1uwk n GLY 432 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1uwk n GLY 432 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1uwk h GLU 433 N 3.22 1.14 -6.23 1.61 4.81 -1.51 -3.39 114.58 114.24 1uwk h GLU 433 Ca 0.00 -0.12 -0.57 0.00 -0.13 0.00 0.00 59.36 58.53 1uwk h GLU 433 Cb 0.00 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.11 1uwk h GLU 433 CO 0.00 0.83 -0.04 -0.51 -0.73 0.00 0.00 179.01 178.56 1uwk s LEU 434 N -9.96 4.53 0.11 1.64 1.43 -0.75 -4.99 118.68 110.70 1uwk s LEU 434 Ca -0.13 1.26 0.26 0.00 -1.03 0.00 0.00 54.13 54.48 1uwk s LEU 434 Cb 0.16 -2.89 0.64 0.00 0.03 0.00 0.00 46.19 44.13 1uwk s LEU 434 CO 0.81 0.27 1.56 -1.54 0.23 0.00 0.00 176.35 177.69 1uwk n SER 435 N 1.73 0.61 -3.83 2.29 3.41 -1.26 -4.64 113.62 111.93 1uwk n SER 435 Ca -0.10 0.26 -0.09 0.00 -0.26 0.00 0.00 58.87 58.68 1uwk n SER 435 Cb 0.51 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.20 1uwk n SER 435 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1uwk s ALA 436 N -3.10 -0.68 0.92 7.33 0.00 -1.26 -4.82 121.76 120.15 1uwk s ALA 436 Ca 0.09 -0.46 -0.12 0.00 0.00 0.00 0.00 51.96 51.47 1uwk s ALA 436 Cb 0.14 0.90 0.06 0.00 0.00 0.00 0.00 23.12 24.22 1uwk s ALA 436 CO 0.65 -0.81 0.62 -2.30 0.00 0.00 0.00 175.76 173.92 1uwk n PRO 437 N -0.34 -0.25 -4.32 0.00 -0.02 -1.26 -4.70 135.00 124.11 1uwk n PRO 437 Ca -0.07 -0.02 -0.29 0.00 -2.02 0.00 0.00 63.50 61.10 1uwk n PRO 437 Cb 0.62 -2.00 -0.11 0.00 -0.02 0.00 0.00 33.50 31.99 1uwk n PRO 437 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1uwk s VAL 438 N -2.39 2.76 -0.06 -1.45 -7.23 -1.12 -2.40 120.40 108.51 1uwk s VAL 438 Ca 0.61 -1.59 -0.04 0.00 -1.81 0.00 0.00 61.98 59.15 1uwk s VAL 438 Cb -0.23 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.40 1uwk s VAL 438 CO 0.64 0.06 0.12 0.68 -0.31 0.00 0.00 175.10 176.29 1uwk s VAL 439 N -1.22 5.19 -0.12 1.32 -7.23 -0.41 -1.02 120.40 116.91 1uwk s VAL 439 Ca 0.18 -0.07 0.02 0.00 -1.81 0.00 0.00 61.98 60.31 1uwk s VAL 439 Cb -0.10 -3.32 -0.00 0.00 0.56 0.00 0.00 36.38 33.52 1uwk s VAL 439 CO 0.10 0.49 -0.20 -0.63 -0.31 0.00 0.00 175.10 174.55 1uwk s ILE 440 N -1.12 2.39 0.00 -0.62 1.01 0.06 -1.23 121.20 121.69 1uwk s ILE 440 Ca 0.20 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1uwk s ILE 440 Cb -0.12 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.39 1uwk s ILE 440 CO 0.10 0.54 0.00 0.61 0.00 0.00 0.00 174.94 176.19 1uwk n GLY 441 N 3.65 4.52 3.61 6.18 0.00 -0.04 -0.65 105.19 122.46 1uwk n GLY 441 Ca -0.19 -0.76 -0.00 0.00 0.00 0.00 0.00 46.02 45.07 1uwk n GLY 441 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1uwk s ARG 442 N 2.61 0.12 1.05 1.61 1.70 -1.26 -1.95 118.95 122.84 1uwk s ARG 442 Ca 0.00 -0.06 -0.12 0.00 -0.47 0.00 0.00 55.73 55.08 1uwk s ARG 442 Cb 0.00 0.05 0.22 0.00 -0.57 0.00 0.00 34.95 34.65 1uwk s ARG 442 CO 0.00 -0.05 1.07 0.34 -1.08 0.00 0.00 175.30 175.57 1uwk s ASP 443 N -2.45 2.04 0.42 -2.89 2.15 -1.19 -4.79 116.67 109.96 1uwk s ASP 443 Ca 0.13 1.43 0.26 0.00 0.43 0.00 0.00 52.55 54.80 1uwk s ASP 443 Cb 0.02 -2.13 0.69 0.00 -0.30 0.00 0.00 42.92 41.20 1uwk s ASP 443 CO -0.04 -3.53 1.73 0.45 -0.17 0.00 0.00 175.17 173.61 1uwk h HIS 444 N -2.16 0.00 -2.43 -5.34 3.86 -1.88 -3.40 115.15 103.80 1uwk h HIS 444 Ca -0.56 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.11 1uwk h HIS 444 Cb 1.32 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.76 1uwk h HIS 444 CO 0.31 0.00 1.28 -1.17 0.86 0.00 0.00 177.93 179.21 1uwk s LEU 445 N -5.87 3.41 0.12 2.43 0.20 -1.26 -4.19 118.68 113.52 1uwk s LEU 445 Ca 0.06 0.73 -0.25 0.00 0.69 0.00 0.00 54.13 55.36 1uwk s LEU 445 Cb 0.07 -3.03 0.07 0.00 -0.43 0.00 0.00 46.19 42.87 1uwk s LEU 445 CO 0.61 -1.99 0.87 -0.62 -0.29 0.00 0.00 176.35 174.93 1uwk s ASP 446 N 6.65 -0.29 0.46 3.68 2.15 -1.26 -4.38 116.67 123.68 1uwk s ASP 446 Ca 0.70 -0.27 0.14 0.00 0.43 0.00 0.00 52.55 53.55 1uwk s ASP 446 Cb -0.16 0.50 1.04 0.00 -0.30 0.00 0.00 42.92 44.01 1uwk s ASP 446 CO 0.27 -0.89 2.04 0.77 -0.17 0.00 0.00 175.17 177.19 1uwk h SER 447 N 2.00 0.07 -0.11 -0.34 4.64 -1.86 -3.03 113.55 114.92 1uwk h SER 447 Ca -0.24 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1uwk h SER 447 Cb 1.25 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1uwk h SER 447 CO 0.28 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 1uwk n GLY 448 N -1.19 2.22 0.16 -0.77 0.00 -1.26 -4.43 105.19 99.92 1uwk n GLY 448 Ca -0.02 -0.14 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1uwk n GLY 448 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uwk n SER 449 N -0.04 2.32 -3.72 1.61 3.41 -1.14 -4.09 113.62 111.97 1uwk n SER 449 Ca 0.04 -2.29 -0.13 0.00 -0.26 0.00 0.00 58.87 56.24 1uwk n SER 449 Cb 0.28 -0.16 -0.10 0.00 -0.26 0.00 0.00 64.21 63.98 1uwk n SER 449 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1uwk s VAL 450 N -1.50 -0.00 -0.15 -3.33 0.11 -1.26 -0.59 120.40 113.68 1uwk s VAL 450 Ca 0.13 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.20 1uwk s VAL 450 Cb 0.10 -0.62 0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1uwk s VAL 450 CO 0.04 0.00 -0.21 -0.44 -3.33 0.00 0.00 175.10 171.16 1uwk s SER 451 N 0.36 3.10 -0.42 3.54 0.01 -0.30 -4.75 113.70 115.24 1uwk s SER 451 Ca -0.01 -0.62 0.06 0.00 1.31 0.00 0.00 55.95 56.69 1uwk s SER 451 Cb -0.04 -1.45 0.18 0.00 0.21 0.00 0.00 66.02 64.93 1uwk s SER 451 CO -0.01 0.05 0.70 -0.55 0.41 0.00 0.00 173.24 173.84 1uwk s SER 452 N 0.98 -1.37 0.49 2.44 0.15 -1.26 -1.59 113.70 113.54 1uwk s SER 452 Ca -0.03 -0.86 0.33 0.00 0.70 0.00 0.00 55.95 56.09 1uwk s SER 452 Cb -0.15 1.76 1.69 0.00 -1.71 0.00 0.00 66.02 67.62 1uwk s SER 452 CO -0.06 -0.13 2.01 -0.65 1.20 0.00 0.00 173.24 175.61 1uwk h PRO 453 N 6.44 0.00 -0.73 5.44 0.11 -1.73 0.50 132.00 142.02 1uwk h PRO 453 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1uwk h PRO 453 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1uwk h PRO 453 CO 0.06 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 177.94 1uwk n ASN 454 N -2.71 4.01 0.00 -2.05 3.02 -1.26 -3.49 115.26 112.77 1uwk n ASN 454 Ca -0.01 -2.02 0.00 0.00 -0.03 0.00 0.00 54.58 52.52 1uwk n ASN 454 Cb 0.11 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 1uwk n ASN 454 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1uwk n ALA 455 N 1.63 0.00 0.24 5.41 0.00 0.02 -4.70 120.51 123.11 1uwk n ALA 455 Ca 0.25 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.79 1uwk n ALA 455 Cb 0.64 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.70 1uwk n ALA 455 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1uwk h GLU 456 N 0.00 0.00 -0.28 0.00 3.07 -1.84 -2.11 114.58 113.43 1uwk h GLU 456 Ca 0.00 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.72 1uwk h GLU 456 Cb 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.83 1uwk h GLU 456 CO 0.00 0.18 -0.17 0.25 -1.40 0.00 0.00 179.01 177.87 1uwk n THR 457 N -3.78 2.48 -2.07 1.13 -2.24 -0.37 -4.83 114.28 104.60 1uwk n THR 457 Ca -0.02 -2.84 -0.42 0.00 -2.27 0.00 0.00 64.05 58.51 1uwk n THR 457 Cb 0.28 -0.30 -0.03 0.00 -2.10 0.00 0.00 70.33 68.18 1uwk n THR 457 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1uwk s GLU 458 N -3.24 4.29 -1.29 -0.78 2.12 -0.79 -3.58 118.70 115.42 1uwk s GLU 458 Ca 0.43 2.22 -0.03 0.00 0.36 0.00 0.00 54.97 57.95 1uwk s GLU 458 Cb 0.40 -3.16 0.01 0.00 0.26 0.00 0.00 34.13 31.64 1uwk s GLU 458 CO -0.02 -0.43 0.96 0.00 -0.54 0.00 0.00 175.26 175.23 1uwk n ALA 459 N 3.07 -1.80 -1.75 6.30 0.00 -1.26 -4.46 120.51 120.60 1uwk n ALA 459 Ca 0.09 0.04 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 1uwk n ALA 459 Cb 0.41 -3.15 0.01 0.00 0.00 0.00 0.00 19.45 16.72 1uwk n ALA 459 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1uwk n MET 460 N -4.40 2.29 0.29 0.00 2.81 -1.24 -4.86 117.12 112.02 1uwk n MET 460 Ca -0.20 0.81 0.17 0.00 -1.81 0.00 0.00 57.70 56.67 1uwk n MET 460 Cb 0.64 -2.59 0.89 0.00 -0.71 0.00 0.00 33.22 31.45 1uwk n MET 460 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 1uwk h ARG 461 N 2.41 0.00 -0.30 0.03 0.11 -1.92 -1.12 114.38 113.58 1uwk h ARG 461 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 1uwk h ARG 461 Cb 1.27 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.35 1uwk h ARG 461 CO 0.61 0.05 0.00 -0.40 0.10 0.00 0.00 179.97 180.33 1uwk n ASP 462 N -3.44 3.32 0.00 0.08 5.75 -1.26 -4.96 116.55 116.04 1uwk n ASP 462 Ca -0.02 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.78 1uwk n ASP 462 Cb 0.17 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 1uwk n ASP 462 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uwk n GLY 463 N 1.43 0.62 1.05 6.12 0.00 -0.42 -4.95 105.19 109.03 1uwk n GLY 463 Ca 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1uwk n GLY 463 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1uwk n SER 464 N 0.14 2.90 -0.30 1.61 3.41 -1.26 -4.61 113.62 115.51 1uwk n SER 464 Ca 0.00 -2.36 0.10 0.00 -0.26 0.00 0.00 58.87 56.35 1uwk n SER 464 Cb 0.00 -0.55 0.24 0.00 -0.26 0.00 0.00 64.21 63.64 1uwk n SER 464 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1uwk h ASP 465 N 1.70 -0.31 0.01 4.04 5.19 -1.88 -1.23 116.42 123.93 1uwk h ASP 465 Ca 0.00 0.23 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1uwk h ASP 465 Cb 1.07 0.38 0.00 0.00 0.18 0.00 0.00 39.33 40.96 1uwk h ASP 465 CO 0.19 -0.24 -0.01 0.00 -3.12 0.00 0.00 179.24 176.07 1uwk n ALA 466 N -2.96 2.63 -2.19 3.45 0.00 -1.26 -4.18 120.51 115.99 1uwk n ALA 466 Ca 0.19 -0.35 -0.43 0.00 0.00 0.00 0.00 53.44 52.85 1uwk n ALA 466 Cb 0.63 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.76 1uwk n ALA 466 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1uwk s VAL 467 N -2.02 3.88 -0.46 0.00 1.01 -0.47 -4.86 120.40 117.48 1uwk s VAL 467 Ca 0.41 1.05 0.11 0.00 0.00 0.00 0.00 61.98 63.55 1uwk s VAL 467 Cb 0.21 -3.72 0.30 0.00 0.00 0.00 0.00 36.38 33.17 1uwk s VAL 467 CO 0.35 -0.15 1.24 -1.54 0.00 0.00 0.00 175.10 175.00 1uwk n SER 468 N 7.19 2.93 -0.31 3.32 3.41 -1.26 -4.44 113.62 124.46 1uwk n SER 468 Ca 0.16 -2.38 0.12 0.00 -0.26 0.00 0.00 58.87 56.51 1uwk n SER 468 Cb 0.44 -0.29 0.35 0.00 -0.26 0.00 0.00 64.21 64.45 1uwk n SER 468 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1uwk h ASP 469 N 1.35 0.72 0.38 4.04 3.32 -2.00 -3.28 116.42 120.96 1uwk h ASP 469 Ca 0.00 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1uwk h ASP 469 Cb 0.90 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.37 1uwk h ASP 469 CO 0.06 0.35 -0.18 -0.50 -1.72 0.00 0.00 179.24 177.24 1uwk h TRP 470 N 0.76 -0.48 -0.08 4.55 4.06 -1.92 0.02 115.95 122.85 1uwk h TRP 470 Ca 0.49 -0.01 -0.02 0.00 2.06 0.00 0.00 58.89 61.40 1uwk h TRP 470 Cb 0.73 0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 29.05 1uwk h TRP 470 CO -0.00 -0.25 -0.06 -1.00 -3.56 0.00 0.00 178.44 173.57 1uwk h PRO 471 N -0.59 0.12 -0.39 0.49 0.13 -1.71 0.18 132.00 130.23 1uwk h PRO 471 Ca -0.05 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.95 1uwk h PRO 471 Cb 0.44 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.54 1uwk h PRO 471 CO 0.09 0.18 -0.20 -0.07 -0.23 0.00 0.00 178.00 177.77 1uwk h LEU 472 N 0.11 0.84 -0.92 1.56 3.38 -1.51 -1.35 115.31 117.42 1uwk h LEU 472 Ca 0.03 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 1uwk h LEU 472 Cb 0.18 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1uwk h LEU 472 CO 0.01 1.06 0.26 -0.07 0.09 0.00 0.00 178.44 179.80 1uwk h LEU 473 N 0.62 0.97 -0.51 1.67 3.38 -0.44 -1.32 115.31 119.68 1uwk h LEU 473 Ca 0.09 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1uwk h LEU 473 Cb 0.75 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 1uwk h LEU 473 CO 0.06 0.88 0.27 -1.13 0.09 0.00 0.00 178.44 178.61 1uwk h ASN 474 N 1.03 0.40 -0.39 -0.43 -0.73 -0.65 0.18 115.58 114.98 1uwk h ASN 474 Ca 0.24 0.02 -0.09 0.00 1.87 0.00 0.00 56.30 58.33 1uwk h ASN 474 Cb 0.22 -0.06 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1uwk h ASN 474 CO -0.02 0.28 -0.12 0.00 -0.37 0.00 0.00 177.43 177.20 1uwk h ALA 475 N 1.26 0.54 -0.66 1.57 0.00 -0.93 -0.38 119.26 120.68 1uwk h ALA 475 Ca 0.22 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1uwk h ALA 475 Cb 0.11 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1uwk h ALA 475 CO -0.14 0.44 0.40 -0.07 0.00 0.00 0.00 179.25 179.87 1uwk h LEU 476 N 0.58 0.63 -0.60 0.00 3.38 -0.93 -1.84 115.31 116.55 1uwk h LEU 476 Ca 0.10 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1uwk h LEU 476 Cb 0.66 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1uwk h LEU 476 CO 0.04 0.43 -0.43 0.25 0.09 0.00 0.00 178.44 178.82 1uwk h LEU 477 N 0.76 0.66 -1.36 1.67 5.85 -0.40 -0.51 115.31 121.99 1uwk h LEU 477 Ca 0.27 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1uwk h LEU 477 Cb 0.06 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1uwk h LEU 477 CO -0.12 1.01 -0.04 0.78 -0.34 0.00 0.00 178.44 179.72 1uwk h ASN 478 N 0.50 0.35 -0.18 1.25 2.35 -0.82 -0.02 115.58 119.02 1uwk h ASN 478 Ca 0.04 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1uwk h ASN 478 Cb 0.96 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 39.23 1uwk h ASN 478 CO 0.09 0.44 -0.12 0.74 -1.65 0.00 0.00 177.43 176.93 1uwk h THR 479 N 0.36 1.32 -0.40 2.81 2.02 -0.93 -1.42 112.91 116.67 1uwk h THR 479 Ca 0.08 -1.21 0.01 0.00 0.77 0.00 0.00 66.41 66.06 1uwk h THR 479 Cb 0.31 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.43 1uwk h THR 479 CO 0.01 0.36 0.27 0.00 0.37 0.00 0.00 175.52 176.53 1uwk h ALA 480 N 0.66 1.75 0.00 6.16 0.00 -0.66 -3.10 119.26 124.07 1uwk h ALA 480 Ca 0.04 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1uwk h ALA 480 Cb 0.62 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1uwk h ALA 480 CO 0.03 0.22 -0.88 0.78 0.00 0.00 0.00 179.25 179.41 1uwk h GLY 481 N 0.51 0.00 0.00 0.00 0.00 -0.89 -3.49 103.07 99.21 1uwk h GLY 481 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 1uwk h GLY 481 CO -0.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.12 1uwk n GLY 482 N 1.19 1.38 3.70 4.60 0.00 -0.81 -4.62 105.19 110.63 1uwk n GLY 482 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1uwk n GLY 482 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uwk n ALA 483 N -0.28 0.08 0.08 4.61 0.00 -0.60 -4.78 120.51 119.62 1uwk n ALA 483 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 53.44 52.96 1uwk n ALA 483 Cb 0.00 -2.26 -0.09 0.00 0.00 0.00 0.00 19.45 17.10 1uwk n ALA 483 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1uwk h THR 484 N -0.80 1.35 -3.49 0.00 2.02 -0.91 -3.08 112.91 108.00 1uwk h THR 484 Ca -0.47 -2.49 -0.18 0.00 0.77 0.00 0.00 66.41 64.04 1uwk h THR 484 Cb 1.30 2.56 -0.24 0.00 -1.74 0.00 0.00 68.15 70.03 1uwk h THR 484 CO 0.46 0.75 -0.55 -1.66 0.37 0.00 0.00 175.52 174.89 1uwk s TRP 485 N -3.11 -0.06 0.01 3.16 -2.14 -0.93 -0.47 118.94 115.40 1uwk s TRP 485 Ca -0.07 0.14 0.04 0.00 2.66 0.00 0.00 56.10 58.87 1uwk s TRP 485 Cb 0.07 0.00 -0.01 0.00 -3.10 0.00 0.00 33.47 30.43 1uwk s TRP 485 CO 0.90 -0.14 -0.13 0.08 -2.66 0.00 0.00 176.95 175.00 1uwk s VAL 486 N -0.48 1.04 0.04 -0.66 1.01 -0.90 -1.42 120.40 119.03 1uwk s VAL 486 Ca -0.06 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1uwk s VAL 486 Cb -0.04 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1uwk s VAL 486 CO 0.00 0.16 -0.06 -0.94 0.00 0.00 0.00 175.10 174.26 1uwk s SER 487 N -0.66 0.68 -0.16 3.32 1.04 -0.58 -0.69 113.70 116.65 1uwk s SER 487 Ca 0.03 -0.54 -0.00 0.00 0.48 0.00 0.00 55.95 55.92 1uwk s SER 487 Cb -0.06 0.06 0.04 0.00 0.10 0.00 0.00 66.02 66.15 1uwk s SER 487 CO 0.00 -0.23 -0.08 -0.76 0.98 0.00 0.00 173.24 173.15 1uwk s LEU 488 N -1.56 1.69 0.27 2.42 1.43 0.13 -0.74 118.68 122.33 1uwk s LEU 488 Ca -0.12 -0.62 0.11 0.00 -1.03 0.00 0.00 54.13 52.48 1uwk s LEU 488 Cb -0.10 -1.01 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 1uwk s LEU 488 CO -0.00 -0.14 -0.19 -1.00 0.23 0.00 0.00 176.35 175.25 1uwk s HIS 489 N 1.57 2.20 -0.03 0.29 3.76 0.26 -1.75 115.29 121.58 1uwk s HIS 489 Ca 0.02 -0.37 0.06 0.00 -0.15 0.00 0.00 55.06 54.61 1uwk s HIS 489 Cb -0.15 -0.97 -0.01 0.00 1.11 0.00 0.00 32.58 32.57 1uwk s HIS 489 CO -0.08 0.66 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.69 1uwk s HIS 490 N -2.59 1.80 0.00 1.40 2.46 -0.96 -1.23 115.29 116.17 1uwk s HIS 490 Ca 0.29 -0.41 0.00 0.00 0.47 0.00 0.00 55.06 55.41 1uwk s HIS 490 Cb -0.04 -1.18 0.00 0.00 -0.13 0.00 0.00 32.58 31.23 1uwk s HIS 490 CO 0.14 -0.09 0.00 0.41 -2.47 0.00 0.00 174.74 172.73 1uwk n GLY 491 N 2.79 0.66 3.75 1.59 0.00 -0.12 -4.76 105.19 109.09 1uwk n GLY 491 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 1uwk n GLY 491 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1uwk s GLY 492 N -1.96 2.84 0.00 -0.02 0.00 -1.26 -0.36 107.32 106.56 1uwk s GLY 492 Ca 0.00 1.20 0.00 0.00 0.00 0.00 0.00 44.72 45.92 1uwk s GLY 492 CO 0.00 1.67 0.00 0.61 0.00 0.00 0.00 173.10 175.38 1uwk n GLY 493 N 0.70 2.14 0.37 0.20 0.00 -1.26 -4.13 105.19 103.22 1uwk n GLY 493 Ca 0.12 -0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.14 1uwk n GLY 493 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1uwk n VAL 494 N 0.00 0.00 0.00 1.61 0.24 -1.25 -4.40 118.33 114.54 1uwk n VAL 494 Ca 0.00 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 1uwk n VAL 494 Cb 0.00 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.57 1uwk n VAL 494 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1uwk n GLY 495 N 1.36 0.06 3.63 7.63 0.00 0.51 -4.64 105.19 113.74 1uwk n GLY 495 Ca 0.08 -1.84 -0.49 0.00 0.00 0.00 0.00 46.02 43.77 1uwk n GLY 495 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1uwk n MET 496 N 0.19 1.63 0.00 1.61 0.00 -1.26 -1.85 117.12 117.44 1uwk n MET 496 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 57.70 58.29 1uwk n MET 496 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 33.22 30.94 1uwk n MET 496 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1uwk n GLY 497 N 2.90 3.24 0.10 3.03 0.00 -1.19 -4.63 105.19 108.63 1uwk n GLY 497 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 1uwk n GLY 497 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1uwk n PHE 498 N -1.47 0.00 -3.63 1.61 3.72 -0.77 -5.02 117.46 111.90 1uwk n PHE 498 Ca 0.00 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.27 1uwk n PHE 498 Cb 0.00 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1uwk n PHE 498 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1uwk s SER 499 N -0.82 -0.33 0.01 4.37 1.04 -1.26 -4.18 113.70 112.53 1uwk s SER 499 Ca 0.03 -0.01 0.02 0.00 0.48 0.00 0.00 55.95 56.48 1uwk s SER 499 Cb 0.03 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.60 1uwk s SER 499 CO 0.10 -0.72 -0.06 -1.10 0.98 0.00 0.00 173.24 172.45 1uwk s GLN 500 N -2.72 0.44 0.11 4.02 -0.21 -0.62 -0.95 119.66 119.72 1uwk s GLN 500 Ca -0.04 -0.30 -0.25 0.00 0.02 0.00 0.00 55.36 54.79 1uwk s GLN 500 Cb -0.00 -0.38 0.08 0.00 1.00 0.00 0.00 33.01 33.71 1uwk s GLN 500 CO -0.04 0.10 0.73 -3.38 -2.12 0.00 0.00 175.29 170.58 1uwk s HIS 501 N -0.38 -0.42 0.19 0.91 -3.43 -0.37 -1.15 115.29 110.64 1uwk s HIS 501 Ca -0.01 0.22 0.09 0.00 -0.80 0.00 0.00 55.06 54.56 1uwk s HIS 501 Cb -0.04 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.64 1uwk s HIS 501 CO -0.00 -0.76 -0.18 -1.54 -2.00 0.00 0.00 174.74 170.26 1uwk s SER 502 N -2.67 2.82 0.17 7.38 1.04 0.24 -0.58 113.70 122.11 1uwk s SER 502 Ca 0.04 -0.91 0.06 0.00 0.48 0.00 0.00 55.95 55.62 1uwk s SER 502 Cb -0.01 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 1uwk s SER 502 CO -0.09 -0.04 -0.13 -0.83 0.98 0.00 0.00 173.24 173.13 1uwk s GLY 503 N -2.88 1.25 -0.06 7.32 0.00 0.08 -4.47 107.32 108.55 1uwk s GLY 503 Ca 0.19 -1.54 -0.16 0.00 0.00 0.00 0.00 44.72 43.21 1uwk s GLY 503 CO 0.08 -1.63 0.37 -3.16 0.00 0.00 0.00 173.10 168.76 1uwk s MET 504 N -3.50 0.65 0.00 2.90 0.23 -1.26 -1.53 119.30 116.79 1uwk s MET 504 Ca 0.18 0.08 0.01 0.00 -1.03 0.00 0.00 55.69 54.93 1uwk s MET 504 Cb -0.00 0.30 -0.01 0.00 -1.53 0.00 0.00 34.83 33.59 1uwk s MET 504 CO 0.04 -0.16 -0.04 0.08 -2.03 0.00 0.00 175.02 172.91 1uwk s VAL 505 N -0.85 0.31 -0.02 5.16 1.01 -0.51 -4.07 120.40 121.44 1uwk s VAL 505 Ca -0.09 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1uwk s VAL 505 Cb -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.06 1uwk s VAL 505 CO 0.04 0.02 -0.10 -0.51 0.00 0.00 0.00 175.10 174.55 1uwk s ILE 506 N -0.26 0.82 -0.06 2.22 2.07 0.18 -0.19 121.20 125.96 1uwk s ILE 506 Ca -0.00 -0.39 -0.17 0.00 -1.41 0.00 0.00 60.65 58.67 1uwk s ILE 506 Cb -0.03 -0.72 -0.05 0.00 0.13 0.00 0.00 42.46 41.80 1uwk s ILE 506 CO -0.00 0.25 0.47 -0.69 -1.91 0.00 0.00 174.94 173.06 1uwk s VAL 507 N 0.12 5.09 -0.72 4.00 1.01 -1.26 -0.76 120.40 127.88 1uwk s VAL 507 Ca -0.02 0.96 -0.15 0.00 0.00 0.00 0.00 61.98 62.77 1uwk s VAL 507 Cb -0.08 -3.80 0.18 0.00 0.00 0.00 0.00 36.38 32.68 1uwk s VAL 507 CO 0.00 0.42 0.68 0.00 0.00 0.00 0.00 175.10 176.21 1uwk n ASP 509 N 4.60 4.11 0.00 0.00 5.75 -1.26 -2.77 116.55 126.98 1uwk n ASP 509 Ca 0.03 -2.28 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 1uwk n ASP 509 Cb 0.44 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1uwk n ASP 509 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1uwk n GLY 510 N 1.03 1.78 3.91 6.12 0.00 -1.25 -4.74 105.19 112.03 1uwk n GLY 510 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.97 1uwk n GLY 510 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1uwk s THR 511 N -2.73 4.80 0.30 2.61 -4.23 -1.26 -4.44 115.64 110.70 1uwk s THR 511 Ca 0.00 0.22 0.02 0.00 -1.18 0.00 0.00 61.69 60.75 1uwk s THR 511 Cb 0.00 -3.83 0.13 0.00 1.34 0.00 0.00 72.50 70.14 1uwk s THR 511 CO 0.00 -0.84 1.82 0.44 -0.54 0.00 0.00 174.62 175.50 1uwk h ASP 512 N 0.16 0.58 -0.65 3.99 3.45 -1.99 -1.73 116.42 120.24 1uwk h ASP 512 Ca -0.47 -0.13 -0.07 0.00 0.43 0.00 0.00 57.03 56.80 1uwk h ASP 512 Cb 1.21 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.80 1uwk h ASP 512 CO 0.62 0.67 0.15 -0.33 -1.57 0.00 0.00 179.24 178.78 1uwk h GLU 513 N 0.57 1.04 -0.77 3.56 3.07 -2.00 -2.03 114.58 118.02 1uwk h GLU 513 Ca 0.12 -0.26 -0.04 0.00 -0.50 0.00 0.00 59.36 58.68 1uwk h GLU 513 Cb 0.41 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.15 1uwk h GLU 513 CO 0.02 0.94 0.31 0.00 -1.40 0.00 0.00 179.01 178.88 1uwk h ALA 514 N 1.05 1.00 -0.82 3.43 0.00 -1.85 -2.29 119.26 119.78 1uwk h ALA 514 Ca 0.20 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1uwk h ALA 514 Cb 0.37 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1uwk h ALA 514 CO 0.00 0.62 0.50 0.00 0.00 0.00 0.00 179.25 180.38 1uwk h ALA 515 N 1.16 1.12 -0.59 0.00 0.00 -0.95 0.29 119.26 120.29 1uwk h ALA 515 Ca 0.26 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1uwk h ALA 515 Cb 0.21 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1uwk h ALA 515 CO -0.02 0.25 0.17 1.49 0.00 0.00 0.00 179.25 181.13 1uwk h GLU 516 N 0.93 0.93 -0.28 0.00 4.57 -1.02 -1.37 114.58 118.33 1uwk h GLU 516 Ca 0.36 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1uwk h GLU 516 Cb 0.15 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1uwk h GLU 516 CO -0.17 0.84 0.11 0.00 -1.18 0.00 0.00 179.01 178.62 1uwk h ARG 517 N 0.85 0.43 -0.67 1.92 3.08 -0.85 -3.00 114.38 116.13 1uwk h ARG 517 Ca 0.19 -0.08 0.03 0.00 0.07 0.00 0.00 59.98 60.19 1uwk h ARG 517 Cb 0.32 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 1uwk h ARG 517 CO -0.00 0.46 0.41 0.82 -1.07 0.00 0.00 179.97 180.59 1uwk h ILE 518 N 0.31 1.08 -0.62 2.04 2.04 -0.15 0.14 117.51 122.34 1uwk h ILE 518 Ca 0.09 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 1uwk h ILE 518 Cb 0.19 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1uwk h ILE 518 CO -0.01 0.15 0.19 0.00 0.00 0.00 0.00 178.15 178.48 1uwk h ALA 519 N 1.30 1.17 0.11 1.87 0.00 -1.20 -0.61 119.26 121.89 1uwk h ALA 519 Ca 0.27 -0.20 -0.32 0.00 0.00 0.00 0.00 54.91 54.66 1uwk h ALA 519 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1uwk h ALA 519 CO -0.11 0.58 -1.68 0.07 0.00 0.00 0.00 179.25 178.10 1uwk h ARG 520 N 0.91 0.23 -0.44 0.00 0.11 -1.30 -3.14 114.38 110.74 1uwk h ARG 520 Ca 0.20 -0.39 -0.14 0.00 0.10 0.00 0.00 59.98 59.74 1uwk h ARG 520 Cb 0.27 0.15 -0.01 0.00 1.11 0.00 0.00 29.97 31.49 1uwk h ARG 520 CO -0.01 1.07 -0.29 0.28 0.10 0.00 0.00 179.97 181.12 1uwk h VAL 521 N 0.06 1.27 -0.00 0.08 2.07 -0.53 0.12 116.25 119.32 1uwk h VAL 521 Ca -0.30 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1uwk h VAL 521 Cb 2.03 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1uwk h VAL 521 CO 0.14 0.50 -0.00 0.18 0.02 0.00 0.00 177.57 178.40 1uwk n LEU 522 N -4.09 0.00 -0.08 2.57 4.77 -0.25 -0.98 117.00 118.95 1uwk n LEU 522 Ca -0.01 0.34 -0.18 0.00 -0.03 0.00 0.00 56.01 56.14 1uwk n LEU 522 Cb 0.50 -0.34 -0.12 0.00 -2.33 0.00 0.00 43.42 41.12 1uwk n LEU 522 CO 0.48 0.00 -0.04 0.74 -1.33 0.00 0.00 177.39 177.23 1uwk h THR 523 N 0.00 1.38 -0.24 -5.08 2.02 -1.40 -3.32 112.91 106.27 1uwk h THR 523 Ca 0.00 -2.29 -0.15 0.00 0.77 0.00 0.00 66.41 64.74 1uwk h THR 523 Cb 0.34 2.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.61 1uwk h THR 523 CO 0.00 0.49 -0.48 0.78 0.37 0.00 0.00 175.52 176.68 1uwk h ASN 524 N -0.95 0.69 0.33 4.18 2.35 -0.59 -0.76 115.58 120.84 1uwk h ASN 524 Ca -0.17 -0.34 -0.02 0.00 -0.55 0.00 0.00 56.30 55.22 1uwk h ASN 524 Cb 1.19 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1uwk h ASN 524 CO -0.08 1.06 -0.16 -0.78 -1.65 0.00 0.00 177.43 175.82 1uwk h ASP 525 N 0.51 -0.37 0.50 5.81 -0.00 -1.29 0.01 116.42 121.58 1uwk h ASP 525 Ca 0.03 -0.14 -0.07 0.00 -0.00 0.00 0.00 57.03 56.85 1uwk h ASP 525 Cb 1.02 0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 40.44 1uwk h ASP 525 CO 0.10 -0.05 -0.31 1.55 -0.00 0.00 0.00 179.24 180.53 1uwk h PRO 526 N -0.72 0.00 -0.87 0.28 0.13 -1.78 -3.04 132.00 126.00 1uwk h PRO 526 Ca -0.05 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.16 1uwk h PRO 526 Cb 0.49 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.57 1uwk h PRO 526 CO 0.07 0.31 0.57 0.78 -0.23 0.00 0.00 178.00 179.50 1uwk h GLY 527 N 1.32 1.25 2.00 1.56 0.00 -0.68 -1.22 103.07 107.29 1uwk h GLY 527 Ca -0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1uwk h GLY 527 CO 0.04 0.27 -0.33 -0.91 0.00 0.00 0.00 176.54 175.61 1uwk h THR 528 N 0.95 1.21 -0.13 4.70 1.35 -0.88 0.66 112.91 120.77 1uwk h THR 528 Ca 0.38 -1.14 -0.23 0.00 -0.55 0.00 0.00 66.41 64.87 1uwk h THR 528 Cb 0.25 1.62 0.01 0.00 -1.73 0.00 0.00 68.15 68.30 1uwk h THR 528 CO -0.14 0.32 -0.82 1.23 -0.25 0.00 0.00 175.52 175.86 1uwk h GLY 529 N 1.03 0.85 0.97 5.82 0.00 -1.33 -0.04 103.07 110.37 1uwk h GLY 529 Ca -0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 47.33 46.04 1uwk h GLY 529 CO 0.04 1.11 0.16 -2.08 0.00 0.00 0.00 176.54 175.77 1uwk h VAL 530 N 0.52 1.23 -0.36 4.60 2.07 -1.15 -1.40 116.25 121.75 1uwk h VAL 530 Ca -0.06 -0.75 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1uwk h VAL 530 Cb 1.45 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1uwk h VAL 530 CO 0.17 0.28 0.13 -0.03 0.02 0.00 0.00 177.57 178.14 1uwk h MET 531 N 0.66 0.28 -0.75 1.57 -1.53 -0.81 0.18 114.93 114.54 1uwk h MET 531 Ca 0.16 -0.02 -0.04 0.00 -3.44 0.00 0.00 59.70 56.36 1uwk h MET 531 Cb 0.27 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 31.22 1uwk h MET 531 CO -0.01 0.18 0.29 -0.09 0.14 0.00 0.00 176.91 177.43 1uwk h ARG 532 N 0.29 1.12 -0.00 0.39 1.12 -0.67 0.17 114.38 116.79 1uwk h ARG 532 Ca 0.16 -0.20 -0.19 0.00 -1.11 0.00 0.00 59.98 58.64 1uwk h ARG 532 Cb 0.13 -0.18 -0.01 0.00 -0.01 0.00 0.00 29.97 29.90 1uwk h ARG 532 CO -0.16 0.92 -0.84 0.45 -3.11 0.00 0.00 179.97 177.22 1uwk h HIS 533 N 1.08 0.23 -0.73 2.20 3.86 -0.99 -2.68 115.15 118.11 1uwk h HIS 533 Ca 0.25 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 1uwk h HIS 533 Cb 0.22 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.63 1uwk h HIS 533 CO 0.02 0.92 0.24 0.00 0.86 0.00 0.00 177.93 179.97 1uwk h ALA 534 N 1.04 0.96 -0.60 2.45 0.00 -0.27 -2.23 119.26 120.61 1uwk h ALA 534 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1uwk h ALA 534 Cb 1.46 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1uwk h ALA 534 CO 0.12 0.62 0.34 0.22 0.00 0.00 0.00 179.25 180.56 1uwk h ASP 535 N 1.07 0.72 0.97 0.00 1.82 -0.55 -0.37 116.42 120.08 1uwk h ASP 535 Ca 0.24 -0.04 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1uwk h ASP 535 Cb 0.28 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.11 1uwk h ASP 535 CO -0.01 0.57 0.00 0.00 -1.61 0.00 0.00 179.24 178.19 1uwk n ALA 536 N -2.45 1.84 -0.04 -0.78 0.00 -1.02 -4.90 120.51 113.16 1uwk n ALA 536 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1uwk n ALA 536 Cb 0.08 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.12 1uwk n ALA 536 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uwk n GLY 537 N 0.39 0.98 3.63 0.00 0.00 -0.15 -4.22 105.19 105.81 1uwk n GLY 537 Ca 0.03 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1uwk n GLY 537 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1uwk s TYR 538 N -2.00 2.42 0.40 1.61 2.02 -0.88 -4.91 117.35 116.00 1uwk s TYR 538 Ca 0.00 0.72 0.09 0.00 -0.37 0.00 0.00 57.07 57.51 1uwk s TYR 538 Cb 0.00 -3.98 0.87 0.00 -0.40 0.00 0.00 41.96 38.46 1uwk s TYR 538 CO 0.00 -2.23 1.98 -0.44 -1.57 0.00 0.00 175.55 173.29 1uwk h ASP 539 N 10.04 0.52 -0.69 2.29 3.32 -1.94 -0.69 116.42 129.27 1uwk h ASP 539 Ca -0.29 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 1uwk h ASP 539 Cb 1.12 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.53 1uwk h ASP 539 CO 1.03 0.33 0.39 0.40 -1.72 0.00 0.00 179.24 179.66 1uwk h ILE 540 N 0.59 1.21 -0.30 0.35 2.04 -1.93 0.87 117.51 120.34 1uwk h ILE 540 Ca 0.28 -0.52 -0.19 0.00 1.00 0.00 0.00 64.86 65.43 1uwk h ILE 540 Cb 0.33 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1uwk h ILE 540 CO -0.08 0.23 -0.54 0.00 0.00 0.00 0.00 178.15 177.76 1uwk h ALA 541 N 1.45 0.47 -0.69 1.87 0.00 -1.30 -1.16 119.26 119.90 1uwk h ALA 541 Ca 0.25 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1uwk h ALA 541 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1uwk h ALA 541 CO -0.04 0.68 0.41 0.82 0.00 0.00 0.00 179.25 181.13 1uwk h ILE 542 N 0.68 1.20 -0.40 0.00 2.04 -0.91 0.58 117.51 120.71 1uwk h ILE 542 Ca 0.02 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1uwk h ILE 542 Cb 1.15 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 1uwk h ILE 542 CO 0.12 0.21 0.26 0.44 0.00 0.00 0.00 178.15 179.18 1uwk h ASP 543 N 0.95 0.46 -0.59 1.72 3.32 -0.77 -1.53 116.42 119.96 1uwk h ASP 543 Ca 0.25 -0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.30 1uwk h ASP 543 Cb -0.02 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.38 1uwk h ASP 543 CO -0.05 0.34 0.38 0.00 -1.72 0.00 0.00 179.24 178.19 1uwk h ALA 545 N 1.23 1.18 -0.35 0.00 0.00 -0.56 -0.49 119.26 120.27 1uwk h ALA 545 Ca 0.22 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1uwk h ALA 545 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1uwk h ALA 545 CO -0.06 0.38 -0.23 0.87 0.00 0.00 0.00 179.25 180.21 1uwk h LYS 546 N 1.07 0.76 -0.99 0.00 1.57 -0.75 0.05 116.57 118.28 1uwk h LYS 546 Ca 0.36 -0.36 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1uwk h LYS 546 Cb 0.06 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 1uwk h LYS 546 CO -0.14 0.98 0.64 0.93 -0.57 0.00 0.00 179.45 181.29 1uwk h GLU 547 N 0.54 1.10 -0.02 3.15 5.08 -0.83 -2.61 114.58 120.99 1uwk h GLU 547 Ca 0.07 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1uwk h GLU 547 Cb 0.79 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1uwk h GLU 547 CO 0.06 0.73 -0.15 1.04 -1.00 0.00 0.00 179.01 179.69 1uwk n GLN 548 N -4.53 1.50 -2.24 2.33 1.13 -0.23 -4.95 117.38 110.39 1uwk n GLN 548 Ca 0.16 -1.04 -0.09 0.00 -1.94 0.00 0.00 57.00 54.09 1uwk n GLN 548 Cb 0.21 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 29.08 1uwk n GLN 548 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1uwk n GLY 549 N 1.30 0.05 3.77 1.08 0.00 -0.42 -4.99 105.19 105.98 1uwk n GLY 549 Ca 0.14 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 1uwk n GLY 549 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1uwk s LEU 550 N -2.55 3.74 -0.54 0.99 1.43 -0.13 -4.98 118.68 116.64 1uwk s LEU 550 Ca 0.02 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.18 1uwk s LEU 550 Cb -0.01 -4.58 0.14 0.00 0.03 0.00 0.00 46.19 41.76 1uwk s LEU 550 CO 0.03 -1.23 0.44 -0.62 0.23 0.00 0.00 176.35 175.20 1uwk s ASP 551 N -1.80 5.95 -0.54 2.29 -1.08 -1.26 -4.84 116.67 115.38 1uwk s ASP 551 Ca 0.72 -2.00 0.01 0.00 -0.52 0.00 0.00 52.55 50.76 1uwk s ASP 551 Cb -0.24 -2.09 0.14 0.00 -1.46 0.00 0.00 42.92 39.27 1uwk s ASP 551 CO 0.27 -0.72 0.32 -0.76 0.52 0.00 0.00 175.17 174.80 1uwk s LEU 552 N 1.25 4.80 0.39 -1.34 1.43 -1.26 -5.01 118.68 118.94 1uwk s LEU 552 Ca 0.07 -2.82 0.16 0.00 -1.03 0.00 0.00 54.13 50.50 1uwk s LEU 552 Cb -0.26 -1.74 1.02 0.00 0.03 0.00 0.00 46.19 45.24 1uwk s LEU 552 CO -0.00 -0.32 1.82 -0.65 0.23 0.00 0.00 176.35 177.42 1uwk h PRO 553 N 6.91 0.46 -0.00 1.29 0.11 -1.93 0.29 132.00 139.12 1uwk h PRO 553 Ca -0.05 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.03 1uwk h PRO 553 Cb 0.94 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1uwk h PRO 553 CO 0.69 0.31 -0.19 -1.33 -0.21 0.00 0.00 178.00 177.26 1uwk n MET 554 N -4.59 0.59 -0.03 1.05 2.81 -1.26 -2.05 117.12 113.64 1uwk n MET 554 Ca 0.22 -0.25 -0.05 0.00 -1.81 0.00 0.00 57.70 55.80 1uwk n MET 554 Cb 0.73 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.72 1uwk n MET 554 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1uwk n ILE 555 N -0.99 0.27 1.07 2.02 5.41 0.10 -4.80 119.36 122.45 1uwk n ILE 555 Ca 0.12 -0.07 0.11 0.00 1.00 0.00 0.00 62.75 63.91 1uwk n ILE 555 Cb 0.31 -1.53 0.10 0.00 -0.71 0.00 0.00 39.64 37.80 1uwk n ILE 555 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 1uwk n THR 556 N -3.20 0.00 0.00 1.39 -2.24 0.79 -5.05 114.28 105.96 1uwk n THR 556 Ca -0.10 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1uwk n THR 556 Cb 0.57 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1uwk n THR 556 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11