#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cwu s PRO 13 N 0.00 4.09 -0.75 1.96 0.04 -1.26 -5.00 135.00 134.08 1cwu s PRO 13 Ca 0.00 0.86 -0.19 0.00 0.04 0.00 0.00 61.00 61.71 1cwu s PRO 13 Cb 0.00 -2.32 0.12 0.00 0.04 0.00 0.00 34.50 32.35 1cwu s PRO 13 CO 0.00 0.07 0.90 0.42 0.04 0.00 0.00 177.00 178.43 1cwu s ILE 14 N -2.09 4.83 -0.52 0.56 1.01 -1.26 -4.99 121.20 118.74 1cwu s ILE 14 Ca 0.57 -1.32 -0.21 0.00 0.00 0.00 0.00 60.65 59.69 1cwu s ILE 14 Cb -0.10 -4.62 0.05 0.00 0.01 0.00 0.00 42.46 37.80 1cwu s ILE 14 CO 0.16 -1.30 0.77 -0.62 0.00 0.00 0.00 174.94 173.95 1cwu s ASP 15 N 3.42 6.28 -0.01 3.58 2.15 -1.26 -4.57 116.67 126.27 1cwu s ASP 15 Ca 0.21 -0.62 0.12 0.00 0.43 0.00 0.00 52.55 52.70 1cwu s ASP 15 Cb -0.14 -2.36 0.35 0.00 -0.30 0.00 0.00 42.92 40.47 1cwu s ASP 15 CO -0.01 -1.04 1.30 0.18 -0.17 0.00 0.00 175.17 175.43 1cwu n LEU 16 N 6.76 3.09 -4.65 -1.34 4.77 0.37 -4.76 117.00 121.23 1cwu n LEU 16 Ca -0.02 -2.05 -0.45 0.00 -0.03 0.00 0.00 56.01 53.46 1cwu n LEU 16 Cb 0.46 -0.27 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 1cwu n LEU 16 CO 0.58 0.76 0.95 0.54 -1.33 0.00 0.00 177.39 178.89 1cwu n ARG 17 N 0.60 1.88 -0.98 3.23 1.74 -1.17 -0.13 116.66 121.82 1cwu n ARG 17 Ca 0.13 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.88 1cwu n ARG 17 Cb 0.47 -2.29 0.00 0.00 -1.02 0.00 0.00 32.46 29.62 1cwu n ARG 17 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cwu n GLY 18 N 2.04 0.59 3.71 -0.13 0.00 -1.25 -4.98 105.19 105.16 1cwu n GLY 18 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1cwu n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cwu s LYS 19 N -0.22 3.04 -0.07 1.61 -0.14 0.81 -5.01 119.74 119.76 1cwu s LYS 19 Ca 0.00 -0.37 0.00 0.00 -1.36 0.00 0.00 55.97 54.24 1cwu s LYS 19 Cb 0.00 -2.84 -0.03 0.00 -1.68 0.00 0.00 37.83 33.28 1cwu s LYS 19 CO 0.00 0.71 -0.06 0.50 -0.76 0.00 0.00 175.35 175.74 1cwu s ARG 20 N -0.91 2.79 -0.02 1.68 3.52 -1.26 -0.11 118.95 124.64 1cwu s ARG 20 Ca 0.14 -0.53 0.05 0.00 -0.13 0.00 0.00 55.73 55.25 1cwu s ARG 20 Cb -0.11 -2.62 -0.01 0.00 -1.56 0.00 0.00 34.95 30.65 1cwu s ARG 20 CO 0.03 0.66 -0.15 0.00 -0.81 0.00 0.00 175.30 175.03 1cwu s ALA 21 N -0.79 1.27 -0.28 6.12 0.00 -0.53 -0.19 121.76 127.36 1cwu s ALA 21 Ca 0.12 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.42 1cwu s ALA 21 Cb -0.11 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.70 1cwu s ALA 21 CO 0.02 0.30 -0.03 0.12 0.00 0.00 0.00 175.76 176.16 1cwu s PHE 22 N -0.28 3.17 -0.52 0.00 2.19 0.72 -0.74 117.98 122.52 1cwu s PHE 22 Ca 0.04 -1.71 -0.11 0.00 0.33 0.00 0.00 56.93 55.48 1cwu s PHE 22 Cb -0.07 -2.09 0.13 0.00 -1.31 0.00 0.00 43.02 39.69 1cwu s PHE 22 CO -0.00 -0.77 0.42 0.42 1.83 0.00 0.00 175.22 177.12 1cwu s ILE 23 N 1.29 4.50 -0.34 3.12 1.01 -0.16 -1.19 121.20 129.43 1cwu s ILE 23 Ca -0.03 -1.85 -0.28 0.00 0.00 0.00 0.00 60.65 58.49 1cwu s ILE 23 Cb -0.18 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 38.37 1cwu s ILE 23 CO -0.03 -0.82 1.02 0.00 0.00 0.00 0.00 174.94 175.11 1cwu s ALA 24 N 1.23 3.47 0.00 9.38 0.00 0.21 -1.85 121.76 134.20 1cwu s ALA 24 Ca 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.83 1cwu s ALA 24 Cb -0.25 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.25 1cwu s ALA 24 CO -0.01 -1.52 0.00 0.41 0.00 0.00 0.00 175.76 174.64 1cwu n GLY 25 N 4.06 -0.96 3.78 0.00 0.00 -0.83 -1.55 105.19 109.69 1cwu n GLY 25 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1cwu n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cwu s ILE 26 N 0.00 4.72 0.00 -0.61 1.09 -1.26 -4.59 121.20 120.55 1cwu s ILE 26 Ca 0.00 -0.46 0.00 0.00 -1.10 0.00 0.00 60.65 59.09 1cwu s ILE 26 Cb 0.00 -3.18 0.00 0.00 -1.06 0.00 0.00 42.46 38.22 1cwu s ILE 26 CO 0.00 0.31 0.00 0.00 -0.10 0.00 0.00 174.94 175.15 1cwu n ALA 27 N 1.06 0.00 -4.02 9.38 0.00 -1.26 -4.28 120.51 121.39 1cwu n ALA 27 Ca -0.12 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.36 1cwu n ALA 27 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.99 1cwu n ALA 27 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1cwu s ASP 28 N 0.00 0.00 -0.12 0.00 1.47 -1.26 -4.62 116.67 112.14 1cwu s ASP 28 Ca 0.00 -0.10 0.17 0.00 1.18 0.00 0.00 52.55 53.79 1cwu s ASP 28 Cb 0.00 0.07 0.68 0.00 -0.34 0.00 0.00 42.92 43.34 1cwu s ASP 28 CO 0.00 -0.15 1.58 -0.90 0.68 0.00 0.00 175.17 176.38 1cwu n ASP 29 N -1.03 4.56 0.00 2.11 5.75 -1.26 -4.42 116.55 122.26 1cwu n ASP 29 Ca 0.05 -2.46 0.11 0.00 -0.01 0.00 0.00 54.79 52.48 1cwu n ASP 29 Cb 0.58 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1cwu n ASP 29 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1cwu n ASN 30 N 1.00 0.76 -4.28 -1.12 3.02 -1.26 -4.93 115.26 108.45 1cwu n ASN 30 Ca 0.24 -0.63 -0.23 0.00 -0.03 0.00 0.00 54.58 53.93 1cwu n ASN 30 Cb 0.87 0.81 -0.02 0.00 -0.61 0.00 0.00 39.78 40.83 1cwu n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cwu n GLY 31 N 1.47 3.11 0.35 7.41 0.00 -1.26 -4.31 105.19 111.95 1cwu n GLY 31 Ca 0.04 -2.30 -0.01 0.00 0.00 0.00 0.00 46.02 43.75 1cwu n GLY 31 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1cwu h TYR 32 N 0.84 1.01 -0.85 1.61 0.05 -1.94 -3.04 116.97 114.65 1cwu h TYR 32 Ca -0.31 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.53 1cwu h TYR 32 Cb 1.04 -0.33 -0.05 0.00 1.01 0.00 0.00 36.73 38.40 1cwu h TYR 32 CO 0.00 0.68 0.56 0.78 -1.05 0.00 0.00 178.16 179.13 1cwu h GLY 33 N 1.09 1.22 0.87 3.88 0.00 -1.86 -0.64 103.07 107.62 1cwu h GLY 33 Ca 0.28 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1cwu h GLY 33 CO -0.05 0.29 -0.03 -0.25 0.00 0.00 0.00 176.54 176.50 1cwu h TRP 34 N 0.97 -0.07 -0.52 5.60 2.91 -1.76 -1.40 115.95 121.68 1cwu h TRP 34 Ca 0.36 -0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.48 1cwu h TRP 34 Cb 0.19 0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 28.79 1cwu h TRP 34 CO -0.00 0.08 0.08 0.00 -1.03 0.00 0.00 178.44 177.57 1cwu h ALA 35 N 0.73 0.57 -0.74 2.65 0.00 -1.34 0.15 119.26 121.27 1cwu h ALA 35 Ca -0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1cwu h ALA 35 Cb 0.18 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1cwu h ALA 35 CO 0.01 -0.33 0.42 0.28 0.00 0.00 0.00 179.25 179.64 1cwu h VAL 36 N 0.21 1.22 -0.07 0.00 2.07 -0.98 -0.16 116.25 118.54 1cwu h VAL 36 Ca 0.26 -0.53 0.03 0.00 0.82 0.00 0.00 66.70 67.28 1cwu h VAL 36 Cb 0.37 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1cwu h VAL 36 CO -0.36 0.24 -0.08 0.00 0.02 0.00 0.00 177.57 177.38 1cwu h ALA 37 N 1.22 -0.03 0.02 1.67 0.00 0.27 0.32 119.26 122.73 1cwu h ALA 37 Ca 0.26 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1cwu h ALA 37 Cb 0.01 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 1cwu h ALA 37 CO -0.04 -0.55 -0.53 0.87 0.00 0.00 0.00 179.25 178.99 1cwu h LYS 38 N -0.11 -0.66 -0.96 0.00 1.57 -0.19 1.15 116.57 117.38 1cwu h LYS 38 Ca 0.06 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 59.02 1cwu h LYS 38 Cb 0.19 0.15 -0.09 0.00 0.08 0.00 0.00 32.23 32.56 1cwu h LYS 38 CO -0.14 -0.44 0.58 0.77 -0.57 0.00 0.00 179.45 179.65 1cwu h SER 39 N -0.68 0.82 0.18 0.86 0.02 -0.87 1.19 113.55 115.06 1cwu h SER 39 Ca 0.01 0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 1cwu h SER 39 Cb 0.72 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.15 1cwu h SER 39 CO -0.34 0.41 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.19 1cwu h LEU 40 N 0.88 0.40 0.20 5.07 3.38 0.58 0.87 115.31 126.69 1cwu h LEU 40 Ca 0.49 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1cwu h LEU 40 Cb 0.56 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1cwu h LEU 40 CO -0.30 0.83 -0.10 0.00 0.09 0.00 0.00 178.44 178.97 1cwu h ALA 41 N 1.18 -0.27 -0.37 1.53 0.00 0.36 0.13 119.26 121.82 1cwu h ALA 41 Ca 0.01 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.85 1cwu h ALA 41 Cb 0.98 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1cwu h ALA 41 CO 0.08 -0.55 0.02 0.00 0.00 0.00 0.00 179.25 178.81 1cwu h ALA 42 N 0.26 0.36 0.00 0.00 0.00 0.17 0.64 119.26 120.69 1cwu h ALA 42 Ca -0.03 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cwu h ALA 42 Cb 0.37 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1cwu h ALA 42 CO 0.05 -0.38 0.04 0.00 0.00 0.00 0.00 179.25 178.96 1cwu n ALA 43 N -2.50 1.04 -0.66 0.00 0.00 0.30 -4.77 120.51 113.93 1cwu n ALA 43 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1cwu n ALA 43 Cb 0.19 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1cwu n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1cwu n GLY 44 N -1.25 0.61 3.87 0.00 0.00 0.22 0.14 105.19 108.78 1cwu n GLY 44 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 1cwu n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cwu s ALA 45 N -2.00 3.43 -0.08 4.61 0.00 0.42 -3.23 121.76 124.91 1cwu s ALA 45 Ca 0.00 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.53 1cwu s ALA 45 Cb 0.00 -2.61 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1cwu s ALA 45 CO 0.00 0.34 0.95 -2.00 0.00 0.00 0.00 175.76 175.05 1cwu s GLU 46 N -3.10 4.44 -0.58 0.00 2.12 0.84 -4.34 118.70 118.08 1cwu s GLU 46 Ca 0.51 1.31 -0.21 0.00 0.36 0.00 0.00 54.97 56.93 1cwu s GLU 46 Cb -0.11 -3.52 0.07 0.00 0.26 0.00 0.00 34.13 30.84 1cwu s GLU 46 CO 0.22 -0.22 0.81 0.42 -0.54 0.00 0.00 175.26 175.95 1cwu s ILE 47 N 1.67 4.59 0.00 -3.70 -1.09 -1.26 -1.45 121.20 119.96 1cwu s ILE 47 Ca 0.47 -0.41 -0.09 0.00 -2.23 0.00 0.00 60.65 58.39 1cwu s ILE 47 Cb -0.19 -4.51 -0.05 0.00 -1.58 0.00 0.00 42.46 36.13 1cwu s ILE 47 CO 0.20 -1.14 0.31 -0.76 -1.23 0.00 0.00 174.94 172.32 1cwu s LEU 48 N 3.35 4.39 0.09 2.97 1.43 0.08 -1.17 118.68 129.82 1cwu s LEU 48 Ca 0.19 0.70 0.06 0.00 -1.03 0.00 0.00 54.13 54.05 1cwu s LEU 48 Cb -0.18 -2.63 -0.03 0.00 0.03 0.00 0.00 46.19 43.38 1cwu s LEU 48 CO 0.12 0.28 -0.15 -0.69 0.23 0.00 0.00 176.35 176.13 1cwu s VAL 49 N -1.23 1.26 -0.35 -1.59 1.01 -0.47 -0.99 120.40 118.05 1cwu s VAL 49 Ca 0.26 -1.45 0.01 0.00 0.00 0.00 0.00 61.98 60.80 1cwu s VAL 49 Cb -0.14 -1.27 0.11 0.00 0.00 0.00 0.00 36.38 35.08 1cwu s VAL 49 CO 0.14 -0.25 0.11 -0.83 0.00 0.00 0.00 175.10 174.27 1cwu s GLY 50 N -1.95 1.53 0.22 4.51 0.00 -0.77 0.95 107.32 111.81 1cwu s GLY 50 Ca 0.02 -2.19 -0.15 0.00 0.00 0.00 0.00 44.72 42.41 1cwu s GLY 50 CO 0.03 1.35 0.63 -1.59 0.00 0.00 0.00 173.10 173.52 1cwu s THR 51 N 1.09 4.77 -0.04 0.90 2.01 0.44 -1.96 115.64 122.84 1cwu s THR 51 Ca 0.12 0.88 -0.30 0.00 0.31 0.00 0.00 61.69 62.70 1cwu s THR 51 Cb -0.19 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.56 1cwu s THR 51 CO -0.14 0.07 1.46 0.86 -0.69 0.00 0.00 174.62 176.18 1cwu s TRP 52 N -1.68 2.57 0.18 4.92 -0.00 -1.23 0.12 118.94 123.83 1cwu s TRP 52 Ca 0.45 0.64 0.02 0.00 -0.00 0.00 0.00 56.10 57.21 1cwu s TRP 52 Cb -0.13 -3.72 0.47 0.00 -0.00 0.00 0.00 33.47 30.08 1cwu s TRP 52 CO 0.20 -2.80 0.92 1.55 -0.00 0.00 0.00 176.95 176.82 1cwu n VAL 53 N 5.03 -0.25 0.00 5.86 3.14 -0.94 -0.77 118.33 130.42 1cwu n VAL 53 Ca 0.15 1.29 -0.10 0.00 -2.96 0.00 0.00 64.34 62.72 1cwu n VAL 53 Cb 0.43 -1.89 -0.04 0.00 -1.06 0.00 0.00 33.84 31.28 1cwu n VAL 53 CO 0.00 0.00 0.00 -0.65 -6.46 0.00 0.00 176.83 169.72 1cwu h PRO 54 N 0.00 -0.12 0.00 1.45 0.11 -1.89 -2.37 132.00 129.18 1cwu h PRO 54 Ca 0.37 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1cwu h PRO 54 Cb 0.77 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1cwu h PRO 54 CO -0.55 -0.08 0.00 0.00 -0.21 0.00 0.00 178.00 177.16 1cwu h ALA 55 N 0.95 1.00 -0.23 -0.75 0.00 -1.33 -3.38 119.26 115.53 1cwu h ALA 55 Ca 0.07 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1cwu h ALA 55 Cb 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1cwu h ALA 55 CO -0.18 0.00 -0.49 1.25 0.00 0.00 0.00 179.25 179.84 1cwu h LEU 56 N 0.00 -1.56 -0.07 0.00 5.85 -0.64 0.34 115.31 119.23 1cwu h LEU 56 Ca 0.00 0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.96 1cwu h LEU 56 Cb 0.81 0.64 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 1cwu h LEU 56 CO 0.00 -0.43 -0.16 0.78 -0.34 0.00 0.00 178.44 178.29 1cwu h ASN 57 N -0.48 -0.47 -0.59 1.25 -0.26 -1.74 -0.87 115.58 112.42 1cwu h ASN 57 Ca 0.08 0.08 0.01 0.00 -0.56 0.00 0.00 56.30 55.90 1cwu h ASN 57 Cb 0.64 0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 38.08 1cwu h ASN 57 CO -0.48 -0.21 0.39 0.40 -1.06 0.00 0.00 177.43 176.47 1cwu h ILE 58 N -0.22 1.15 0.25 2.81 5.03 -1.78 0.88 117.51 125.63 1cwu h ILE 58 Ca 0.07 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1cwu h ILE 58 Cb 0.33 0.28 -0.02 0.00 -3.03 0.00 0.00 36.82 34.38 1cwu h ILE 58 CO -0.20 0.15 -0.25 0.15 -0.68 0.00 0.00 178.15 177.32 1cwu h PHE 59 N 0.80 -0.65 -0.14 1.37 3.57 -0.49 0.87 116.94 122.26 1cwu h PHE 59 Ca 0.22 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1cwu h PHE 59 Cb -0.09 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1cwu h PHE 59 CO -0.03 -0.36 -0.11 0.93 -2.23 0.00 0.00 178.31 176.51 1cwu h GLU 60 N -0.53 -0.12 -0.36 1.11 5.08 -0.93 0.86 114.58 119.70 1cwu h GLU 60 Ca -0.00 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1cwu h GLU 60 Cb 0.49 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1cwu h GLU 60 CO -0.06 -0.08 -0.00 1.15 -1.00 0.00 0.00 179.01 179.02 1cwu h THR 61 N -0.12 0.73 -0.53 1.13 2.02 -0.45 -0.82 112.91 114.86 1cwu h THR 61 Ca 0.09 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.22 1cwu h THR 61 Cb 0.25 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1cwu h THR 61 CO -0.21 0.02 0.26 0.28 0.37 0.00 0.00 175.52 176.24 1cwu h SER 62 N 0.10 0.66 -0.48 4.18 0.02 0.14 -1.69 113.55 116.47 1cwu h SER 62 Ca 0.17 -0.06 -0.22 0.00 -0.84 0.00 0.00 61.79 60.85 1cwu h SER 62 Cb 0.24 -0.17 -0.13 0.00 0.14 0.00 0.00 62.40 62.48 1cwu h SER 62 CO -0.30 0.56 0.28 -0.11 -1.14 0.00 0.00 176.83 176.12 1cwu n LEU 63 N -4.38 4.69 0.00 5.07 7.94 0.24 -0.73 117.00 129.83 1cwu n LEU 63 Ca 0.05 -2.45 0.00 0.00 -1.11 0.00 0.00 56.01 52.50 1cwu n LEU 63 Cb 0.12 -0.66 0.00 0.00 0.53 0.00 0.00 43.42 43.41 1cwu n LEU 63 CO 0.37 0.72 -0.33 0.54 -1.11 0.00 0.00 177.39 177.58 1cwu n ARG 64 N -0.23 0.00 0.00 1.96 3.00 -0.66 -4.67 116.66 116.06 1cwu n ARG 64 Ca 0.28 0.00 0.06 0.00 -0.01 0.00 0.00 57.85 58.18 1cwu n ARG 64 Cb 1.05 -0.35 0.37 0.00 0.00 0.00 0.00 32.46 33.52 1cwu n ARG 64 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 1cwu n ARG 65 N -2.89 0.44 -2.98 5.56 -4.01 -0.93 -4.82 116.66 107.03 1cwu n ARG 65 Ca 0.00 0.00 -0.12 0.00 -1.04 0.00 0.00 57.85 56.69 1cwu n ARG 65 Cb 0.33 -1.44 0.04 0.00 -3.04 0.00 0.00 32.46 28.35 1cwu n ARG 65 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1cwu n GLY 66 N -0.12 0.17 0.27 2.89 0.00 -1.21 -4.93 105.19 102.26 1cwu n GLY 66 Ca 0.09 -0.22 0.16 0.00 0.00 0.00 0.00 46.02 46.05 1cwu n GLY 66 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1cwu h LYS 67 N -1.26 0.00 -0.74 1.61 5.09 -1.25 -3.08 116.57 116.95 1cwu h LYS 67 Ca -0.29 0.00 -0.45 0.00 0.09 0.00 0.00 60.65 60.00 1cwu h LYS 67 Cb 1.19 0.00 -0.42 0.00 0.10 0.00 0.00 32.23 33.10 1cwu h LYS 67 CO 0.29 0.05 -0.92 1.19 -2.09 0.00 0.00 179.45 177.96 1cwu n PHE 68 N -3.17 2.28 0.01 0.07 3.72 -1.26 -4.81 117.46 114.29 1cwu n PHE 68 Ca 0.00 -2.31 -0.18 0.00 -0.05 0.00 0.00 57.45 54.92 1cwu n PHE 68 Cb 0.33 -0.28 -0.11 0.00 -0.94 0.00 0.00 39.48 38.48 1cwu n PHE 68 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1cwu h ASP 69 N 2.39 0.62 -0.13 4.37 3.32 -1.91 -2.37 116.42 122.71 1cwu h ASP 69 Ca 0.18 -0.74 -0.05 0.00 0.02 0.00 0.00 57.03 56.44 1cwu h ASP 69 Cb 1.38 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 1cwu h ASP 69 CO 0.58 1.28 -0.06 1.56 -1.72 0.00 0.00 179.24 180.88 1cwu h GLN 70 N 0.03 0.41 0.00 3.56 7.50 -1.87 -2.11 115.11 122.62 1cwu h GLN 70 Ca -0.08 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 58.98 1cwu h GLN 70 Cb 1.37 -0.06 0.00 0.00 0.05 0.00 0.00 27.48 28.84 1cwu h GLN 70 CO 0.13 0.48 0.00 0.43 -1.50 0.00 0.00 178.83 178.38 1cwu n SER 71 N -4.28 0.00 -0.58 1.46 7.64 -1.12 -2.96 113.62 113.78 1cwu n SER 71 Ca 0.01 -0.04 0.11 0.00 1.01 0.00 0.00 58.87 59.95 1cwu n SER 71 Cb 0.26 -0.29 0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1cwu n SER 71 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1cwu n ARG 72 N -1.29 1.42 -2.15 1.43 1.74 -0.80 -4.96 116.66 112.05 1cwu n ARG 72 Ca 0.12 -1.17 -0.42 0.00 -0.77 0.00 0.00 57.85 55.60 1cwu n ARG 72 Cb 0.20 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1cwu n ARG 72 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1cwu s VAL 73 N -2.39 3.37 0.67 1.55 1.01 -1.15 0.36 120.40 123.82 1cwu s VAL 73 Ca 0.20 0.92 -0.01 0.00 0.00 0.00 0.00 61.98 63.10 1cwu s VAL 73 Cb 0.18 -3.59 0.09 0.00 0.00 0.00 0.00 36.38 33.07 1cwu s VAL 73 CO 0.52 0.04 0.93 -0.76 0.00 0.00 0.00 175.10 175.84 1cwu s LEU 74 N 1.60 3.05 0.30 3.92 1.43 1.83 -4.85 118.68 125.97 1cwu s LEU 74 Ca 0.65 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 1cwu s LEU 74 Cb -0.36 -2.34 0.70 0.00 0.03 0.00 0.00 46.19 44.22 1cwu s LEU 74 CO 0.29 -1.63 1.80 -0.65 0.23 0.00 0.00 176.35 176.39 1cwu h PRO 75 N -0.36 0.80 -1.60 1.29 0.11 -1.95 0.82 132.00 131.11 1cwu h PRO 75 Ca -0.39 -0.05 -0.28 0.00 0.11 0.00 0.00 66.00 65.40 1cwu h PRO 75 Cb 1.28 -0.18 -0.12 0.00 0.11 0.00 0.00 31.00 32.09 1cwu h PRO 75 CO 0.45 0.53 0.36 -0.40 -0.21 0.00 0.00 178.00 178.73 1cwu n ASP 76 N -4.71 6.31 0.00 -2.05 5.75 -1.26 -4.78 116.55 115.82 1cwu n ASP 76 Ca 0.22 -2.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.03 1cwu n ASP 76 Cb 0.51 -1.07 0.00 0.00 -1.03 0.00 0.00 41.12 39.53 1cwu n ASP 76 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1cwu n GLY 77 N 0.52 0.00 3.79 6.12 0.00 0.28 -4.84 105.19 111.06 1cwu n GLY 77 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 1cwu n GLY 77 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cwu s SER 78 N -0.91 4.81 -0.01 1.61 0.15 -1.24 -4.60 113.70 113.51 1cwu s SER 78 Ca 0.00 1.63 0.01 0.00 0.70 0.00 0.00 55.95 58.29 1cwu s SER 78 Cb 0.00 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.86 1cwu s SER 78 CO 0.00 -1.81 -0.00 -0.76 1.20 0.00 0.00 173.24 171.87 1cwu s LEU 79 N -5.76 3.51 0.84 3.45 1.43 -1.26 0.49 118.68 121.38 1cwu s LEU 79 Ca 0.60 -0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.59 1cwu s LEU 79 Cb -0.15 -2.00 0.09 0.00 0.03 0.00 0.00 46.19 44.16 1cwu s LEU 79 CO 0.55 0.29 1.10 -0.32 0.23 0.00 0.00 176.35 178.20 1cwu s MET 80 N -1.51 1.72 -0.31 1.70 -2.45 1.14 -4.83 119.30 114.76 1cwu s MET 80 Ca 0.19 1.18 0.02 0.00 -1.25 0.00 0.00 55.69 55.82 1cwu s MET 80 Cb -0.11 -1.84 0.15 0.00 1.25 0.00 0.00 34.83 34.28 1cwu s MET 80 CO 0.10 -2.02 0.37 -1.83 1.05 0.00 0.00 175.02 172.69 1cwu s GLU 81 N -4.84 0.45 -0.63 4.11 1.03 -1.26 -4.96 118.70 112.60 1cwu s GLU 81 Ca 0.63 -0.21 -0.27 0.00 0.03 0.00 0.00 54.97 55.15 1cwu s GLU 81 Cb -0.19 -0.51 0.00 0.00 -0.80 0.00 0.00 34.13 32.64 1cwu s GLU 81 CO 0.57 -1.08 1.59 0.42 -1.33 0.00 0.00 175.26 175.43 1cwu s ILE 82 N 2.19 3.56 0.14 1.83 1.01 -1.26 -4.33 121.20 124.35 1cwu s ILE 82 Ca 0.11 0.38 -0.29 0.00 0.00 0.00 0.00 60.65 60.85 1cwu s ILE 82 Cb -0.13 -4.33 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1cwu s ILE 82 CO -0.24 -1.23 1.57 0.50 0.00 0.00 0.00 174.94 175.53 1cwu h LYS 83 N 12.55 -0.38 -2.33 2.79 1.63 -1.52 -3.44 116.57 125.86 1cwu h LYS 83 Ca -0.27 0.03 -0.07 0.00 -0.85 0.00 0.00 60.65 59.49 1cwu h LYS 83 Cb 1.11 0.09 -0.23 0.00 -0.60 0.00 0.00 32.23 32.60 1cwu h LYS 83 CO 1.22 -0.25 -0.06 0.21 -3.45 0.00 0.00 179.45 177.12 1cwu s LYS 84 N -5.79 0.64 -0.15 1.90 2.20 -1.22 -5.05 119.74 112.28 1cwu s LYS 84 Ca -0.15 0.86 -0.08 0.00 -0.36 0.00 0.00 55.97 56.24 1cwu s LYS 84 Cb 0.10 0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 36.64 1cwu s LYS 84 CO 0.64 -0.10 0.12 0.08 -0.36 0.00 0.00 175.35 175.72 1cwu s VAL 85 N 0.61 5.29 -0.06 4.02 1.01 -1.26 -1.36 120.40 128.65 1cwu s VAL 85 Ca -0.02 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1cwu s VAL 85 Cb -0.05 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.96 1cwu s VAL 85 CO -0.04 0.54 -0.11 -0.31 0.00 0.00 0.00 175.10 175.18 1cwu s TYR 86 N -0.37 2.81 0.25 5.22 1.51 0.27 -4.95 117.35 122.09 1cwu s TYR 86 Ca 0.11 -0.08 -0.30 0.00 -1.01 0.00 0.00 57.07 55.79 1cwu s TYR 86 Cb -0.12 -1.67 -0.09 0.00 -0.11 0.00 0.00 41.96 39.97 1cwu s TYR 86 CO 0.01 0.25 1.05 -1.25 -1.11 0.00 0.00 175.55 174.50 1cwu s PRO 87 N -0.74 4.70 -0.21 -1.71 0.05 -1.26 -0.42 135.00 135.41 1cwu s PRO 87 Ca 0.11 1.68 -0.19 0.00 0.05 0.00 0.00 61.00 62.66 1cwu s PRO 87 Cb -0.11 -3.24 0.06 0.00 0.05 0.00 0.00 34.50 31.26 1cwu s PRO 87 CO 0.01 0.29 0.56 -1.17 0.05 0.00 0.00 177.00 176.74 1cwu s LEU 88 N -1.15 -0.17 -0.23 -3.56 2.96 0.32 -4.36 118.68 112.49 1cwu s LEU 88 Ca 0.44 1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 55.48 1cwu s LEU 88 Cb -0.29 1.93 0.07 0.00 0.50 0.00 0.00 46.19 48.40 1cwu s LEU 88 CO 0.37 -0.20 0.03 -0.62 -1.32 0.00 0.00 176.35 174.61 1cwu s ASP 89 N 0.35 3.45 0.04 3.68 -1.08 -0.50 -2.20 116.67 120.41 1cwu s ASP 89 Ca -0.00 -1.13 0.19 0.00 -0.52 0.00 0.00 52.55 51.09 1cwu s ASP 89 Cb -0.04 -0.83 0.79 0.00 -1.46 0.00 0.00 42.92 41.38 1cwu s ASP 89 CO 0.00 -0.31 1.59 0.00 0.52 0.00 0.00 175.17 176.97 1cwu n ALA 90 N 4.89 1.81 0.20 3.66 0.00 -1.26 -2.26 120.51 127.54 1cwu n ALA 90 Ca -0.08 -0.04 0.08 0.00 0.00 0.00 0.00 53.44 53.40 1cwu n ALA 90 Cb 0.45 -1.31 0.33 0.00 0.00 0.00 0.00 19.45 18.93 1cwu n ALA 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1cwu h VAL 91 N 0.00 0.67 -3.48 0.00 2.07 -1.90 -3.41 116.25 110.20 1cwu h VAL 91 Ca 0.00 -1.43 -0.65 0.00 0.82 0.00 0.00 66.70 65.45 1cwu h VAL 91 Cb 0.33 1.94 -0.23 0.00 -1.52 0.00 0.00 31.29 31.81 1cwu h VAL 91 CO 0.00 0.30 -0.65 -0.36 0.02 0.00 0.00 177.57 176.88 1cwu s PHE 92 N -3.49 3.06 -0.15 1.57 0.08 -0.96 -5.00 117.98 113.09 1cwu s PHE 92 Ca 0.01 -0.46 0.20 0.00 0.12 0.00 0.00 56.93 56.80 1cwu s PHE 92 Cb 0.10 -2.13 -0.13 0.00 -0.57 0.00 0.00 43.02 40.28 1cwu s PHE 92 CO 0.67 -0.28 0.79 -0.25 -0.10 0.00 0.00 175.22 176.04 1cwu n ASP 93 N 4.45 0.63 -3.57 1.36 8.00 -1.26 -0.86 116.55 125.30 1cwu n ASP 93 Ca -0.17 0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.48 1cwu n ASP 93 Cb 0.52 0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 42.26 1cwu n ASP 93 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1cwu s ASN 94 N -5.36 -0.39 0.10 -2.24 6.03 -1.26 0.53 114.94 112.35 1cwu s ASN 94 Ca -0.03 -0.23 -0.22 0.00 -1.03 0.00 0.00 52.86 51.35 1cwu s ASN 94 Cb 0.10 0.57 -0.11 0.00 -3.03 0.00 0.00 41.25 38.77 1cwu s ASN 94 CO 0.82 -0.97 1.75 1.55 -2.03 0.00 0.00 177.10 178.22 1cwu h PRO 95 N 2.15 0.11 0.00 3.55 0.14 -1.94 -2.36 132.00 133.65 1cwu h PRO 95 Ca -0.32 -0.01 0.00 0.00 0.14 0.00 0.00 66.00 65.81 1cwu h PRO 95 Cb 1.28 -0.02 0.00 0.00 0.14 0.00 0.00 31.00 32.40 1cwu h PRO 95 CO 0.40 0.07 0.58 0.39 0.14 0.00 0.00 178.00 179.57 1cwu n GLU 96 N -5.03 0.04 0.00 0.86 4.71 -1.26 0.00 120.64 119.96 1cwu n GLU 96 Ca -0.05 0.50 0.10 0.00 -0.01 0.00 0.00 57.16 57.70 1cwu n GLU 96 Cb 0.03 -2.21 -0.10 0.00 -1.01 0.00 0.00 31.44 28.16 1cwu n GLU 96 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1cwu n ASP 97 N -1.85 1.08 -4.77 1.62 8.00 -0.89 -5.00 116.55 114.74 1cwu n ASP 97 Ca -0.00 -1.02 -0.38 0.00 0.71 0.00 0.00 54.79 54.09 1cwu n ASP 97 Cb 0.58 0.92 -0.02 0.00 -0.02 0.00 0.00 41.12 42.59 1cwu n ASP 97 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1cwu s VAL 98 N -2.95 3.04 -0.17 2.53 1.01 0.10 -5.00 120.40 118.96 1cwu s VAL 98 Ca 0.09 0.88 -0.26 0.00 0.00 0.00 0.00 61.98 62.70 1cwu s VAL 98 Cb 0.16 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1cwu s VAL 98 CO 0.84 0.08 0.85 -2.16 0.00 0.00 0.00 175.10 174.71 1cwu s PRO 99 N -2.31 4.29 0.64 2.72 0.04 -1.26 -4.87 135.00 134.25 1cwu s PRO 99 Ca 0.58 1.04 0.24 0.00 0.04 0.00 0.00 61.00 62.90 1cwu s PRO 99 Cb -0.32 -3.58 1.22 0.00 0.04 0.00 0.00 34.50 31.86 1cwu s PRO 99 CO 0.40 -0.35 1.68 1.05 0.04 0.00 0.00 177.00 179.82 1cwu h GLU 100 N 7.35 0.00 0.12 4.56 9.09 -1.98 0.91 114.58 134.63 1cwu h GLU 100 Ca -0.28 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.12 1cwu h GLU 100 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1cwu h GLU 100 CO 0.85 0.00 -0.06 0.38 0.05 0.00 0.00 179.01 180.23 1cwu h ASP 101 N 0.00 -0.13 -0.26 3.06 -0.00 -1.99 -0.00 116.42 117.09 1cwu h ASP 101 Ca 0.12 -0.12 -0.03 0.00 -0.00 0.00 0.00 57.03 57.00 1cwu h ASP 101 Cb 1.31 0.03 -0.01 0.00 -0.00 0.00 0.00 39.33 40.67 1cwu h ASP 101 CO -0.00 0.04 0.05 0.58 -0.00 0.00 0.00 179.24 179.91 1cwu h VAL 102 N -0.31 1.23 -0.76 4.15 2.07 0.41 -2.88 116.25 120.16 1cwu h VAL 102 Ca -0.02 -0.77 0.14 0.00 0.82 0.00 0.00 66.70 66.88 1cwu h VAL 102 Cb 0.25 1.23 -0.09 0.00 -1.52 0.00 0.00 31.29 31.15 1cwu h VAL 102 CO 0.03 0.25 0.31 0.11 0.02 0.00 0.00 177.57 178.29 1cwu h LYS 103 N 0.25 0.45 0.00 1.57 6.56 -1.10 1.06 116.57 125.37 1cwu h LYS 103 Ca 0.08 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.64 1cwu h LYS 103 Cb 0.32 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.88 1cwu h LYS 103 CO 0.00 0.30 -0.03 0.00 -2.06 0.00 0.00 179.45 177.67 1cwu h ALA 104 N 1.54 1.58 -2.43 3.86 0.00 -0.78 -3.33 119.26 119.69 1cwu h ALA 104 Ca 0.41 -0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.75 1cwu h ALA 104 Cb 0.62 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.45 1cwu h ALA 104 CO -0.39 0.03 1.01 -1.71 0.00 0.00 0.00 179.25 178.20 1cwu n ASN 105 N -3.97 3.76 -0.29 0.00 2.85 0.37 -4.75 115.26 113.23 1cwu n ASN 105 Ca -0.03 1.03 -0.11 0.00 -0.11 0.00 0.00 54.58 55.36 1cwu n ASN 105 Cb 0.11 -1.51 -0.08 0.00 1.24 0.00 0.00 39.78 39.54 1cwu n ASN 105 CO 0.00 0.00 0.00 0.07 -2.11 0.00 0.00 177.26 175.22 1cwu h LYS 106 N 7.58 -0.16 0.00 1.20 5.09 -1.84 1.30 116.57 129.74 1cwu h LYS 106 Ca -0.45 0.01 0.03 0.00 0.09 0.00 0.00 60.65 60.33 1cwu h LYS 106 Cb 1.23 0.04 -0.06 0.00 0.10 0.00 0.00 32.23 33.54 1cwu h LYS 106 CO 0.94 -0.11 -0.44 0.07 -2.09 0.00 0.00 179.45 177.82 1cwu h ARG 107 N -0.17 -0.57 -0.22 0.07 -0.00 -1.94 1.41 114.38 112.97 1cwu h ARG 107 Ca 0.14 0.04 0.06 0.00 -0.00 0.00 0.00 59.98 60.22 1cwu h ARG 107 Cb 0.51 0.13 -0.01 0.00 -0.00 0.00 0.00 29.97 30.60 1cwu h ARG 107 CO -0.79 -0.38 0.18 1.88 -0.00 0.00 0.00 179.97 180.86 1cwu h TYR 108 N -0.59 0.00 0.01 4.08 -1.99 -1.69 -0.13 116.97 116.65 1cwu h TYR 108 Ca 0.04 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.70 1cwu h TYR 108 Cb 0.67 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.40 1cwu h TYR 108 CO -0.44 0.00 -0.28 0.00 -0.00 0.00 0.00 178.16 177.44 1cwu h ALA 109 N 1.84 0.03 0.00 3.88 0.00 0.48 -3.28 119.26 122.21 1cwu h ALA 109 Ca 0.10 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1cwu h ALA 109 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1cwu h ALA 109 CO -0.00 0.11 0.10 0.41 0.00 0.00 0.00 179.25 179.87 1cwu n GLY 110 N 1.11 -0.62 3.36 0.00 0.00 0.45 -4.60 105.19 104.88 1cwu n GLY 110 Ca -0.10 0.10 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1cwu n GLY 110 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cwu s SER 111 N -3.39 1.68 0.26 1.61 0.01 -0.44 -5.05 113.70 108.38 1cwu s SER 111 Ca -0.01 -1.34 -0.15 0.00 1.31 0.00 0.00 55.95 55.76 1cwu s SER 111 Cb 0.03 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.32 1cwu s SER 111 CO 0.10 -0.64 0.55 -0.94 0.41 0.00 0.00 173.24 172.72 1cwu s SER 112 N -3.36 -0.12 -1.69 2.44 1.04 -1.26 -4.81 113.70 105.94 1cwu s SER 112 Ca 0.35 -0.85 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1cwu s SER 112 Cb 0.08 0.63 0.00 0.00 0.10 0.00 0.00 66.02 66.83 1cwu s SER 112 CO 0.13 -1.22 0.00 0.59 0.98 0.00 0.00 173.24 173.72 1cwu n ASN 113 N -0.45 -4.93 -0.03 7.02 3.02 -1.26 -4.83 115.26 113.80 1cwu n ASN 113 Ca -0.02 0.37 0.14 0.00 -0.03 0.00 0.00 54.58 55.04 1cwu n ASN 113 Cb 0.61 -3.86 0.61 0.00 -0.61 0.00 0.00 39.78 36.53 1cwu n ASN 113 CO 0.00 0.00 0.00 -2.67 -2.62 0.00 0.00 177.26 171.97 1cwu n TRP 114 N -2.64 0.00 -1.91 3.10 4.27 -1.26 -2.58 117.44 116.42 1cwu n TRP 114 Ca -0.16 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.11 1cwu n TRP 114 Cb 0.54 -0.33 0.03 0.00 -1.36 0.00 0.00 31.31 30.19 1cwu n TRP 114 CO 0.00 0.00 0.00 0.95 -2.29 0.00 0.00 177.69 176.35 1cwu s THR 115 N -2.74 3.21 0.35 -1.67 -4.23 -1.26 -1.41 115.64 107.88 1cwu s THR 115 Ca 0.22 0.62 0.03 0.00 -1.18 0.00 0.00 61.69 61.37 1cwu s THR 115 Cb 0.19 -3.16 0.23 0.00 1.34 0.00 0.00 72.50 71.11 1cwu s THR 115 CO 0.52 -0.29 1.97 0.58 -0.54 0.00 0.00 174.62 176.86 1cwu h VAL 116 N 0.39 1.17 -0.46 2.29 2.07 -1.07 1.35 116.25 121.99 1cwu h VAL 116 Ca -0.48 -0.42 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 1cwu h VAL 116 Cb 1.25 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1cwu h VAL 116 CO 0.55 0.19 -0.18 -0.61 0.02 0.00 0.00 177.57 177.53 1cwu h GLN 117 N 0.76 0.94 -0.27 1.57 -0.00 -0.17 -1.79 115.11 116.15 1cwu h GLN 117 Ca 0.20 -0.39 -0.05 0.00 -0.00 0.00 0.00 58.65 58.41 1cwu h GLN 117 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.45 1cwu h GLN 117 CO -0.03 1.05 -0.01 0.93 0.00 0.00 0.00 178.83 180.77 1cwu h GLU 118 N 0.78 0.49 -0.52 1.69 5.08 -1.23 -2.77 114.58 118.10 1cwu h GLU 118 Ca 0.11 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1cwu h GLU 118 Cb 0.75 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 1cwu h GLU 118 CO 0.06 0.65 0.26 0.00 -1.00 0.00 0.00 179.01 178.99 1cwu h ALA 119 N 0.81 0.66 -0.20 3.43 0.00 0.20 -2.62 119.26 121.55 1cwu h ALA 119 Ca 0.08 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1cwu h ALA 119 Cb 0.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1cwu h ALA 119 CO 0.02 -0.08 -0.24 0.00 0.00 0.00 0.00 179.25 178.94 1cwu h ALA 120 N 1.28 1.22 -0.45 0.00 0.00 -1.30 -2.82 119.26 117.18 1cwu h ALA 120 Ca 0.23 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1cwu h ALA 120 Cb 0.14 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1cwu h ALA 120 CO -0.16 0.51 -0.07 1.49 0.00 0.00 0.00 179.25 181.02 1cwu h GLU 121 N 0.34 0.79 0.01 0.00 4.57 -1.18 -1.25 114.58 117.86 1cwu h GLU 121 Ca 0.05 -0.25 -0.00 0.00 -1.18 0.00 0.00 59.36 57.99 1cwu h GLU 121 Cb 0.61 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1cwu h GLU 121 CO 0.04 0.85 -0.00 0.00 -1.18 0.00 0.00 179.01 178.72 1cwu h VAL 123 N -0.18 0.70 0.08 0.00 2.07 -1.39 0.89 116.25 118.42 1cwu h VAL 123 Ca -0.00 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.43 1cwu h VAL 123 Cb 0.18 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1cwu h VAL 123 CO 0.00 0.06 -0.33 -0.09 0.02 0.00 0.00 177.57 177.23 1cwu h ARG 124 N 0.34 -0.51 0.50 1.57 2.43 -0.81 1.81 114.38 119.71 1cwu h ARG 124 Ca 0.32 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 1cwu h ARG 124 Cb 0.44 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1cwu h ARG 124 CO -0.36 -0.34 -0.24 1.96 -1.51 0.00 0.00 179.97 179.48 1cwu h GLN 125 N -0.53 -0.65 -0.82 0.20 4.20 0.18 5.22 115.11 122.92 1cwu h GLN 125 Ca 0.04 0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.86 1cwu h GLN 125 Cb 0.58 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 28.44 1cwu h GLN 125 CO -0.22 -0.38 0.49 -0.44 -0.67 0.00 0.00 178.83 177.61 1cwu h ASP 126 N -0.78 0.75 0.00 1.46 3.32 0.95 -3.34 116.42 118.78 1cwu h ASP 126 Ca -0.07 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1cwu h ASP 126 Cb 0.56 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1cwu h ASP 126 CO 0.11 0.47 0.00 0.49 -1.72 0.00 0.00 179.24 178.59 1cwu n PHE 127 N -4.68 0.00 0.00 4.55 3.72 0.61 -5.01 117.46 116.66 1cwu n PHE 127 Ca 0.12 -0.14 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 1cwu n PHE 127 Cb 0.20 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.72 1cwu n PHE 127 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cwu n GLY 128 N -0.14 0.00 3.76 1.37 0.00 1.70 -4.73 105.19 107.15 1cwu n GLY 128 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1cwu n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1cwu s SER 129 N -0.71 -0.06 0.25 1.61 1.04 -1.26 -4.86 113.70 109.71 1cwu s SER 129 Ca 0.00 -0.32 -0.09 0.00 0.48 0.00 0.00 55.95 56.02 1cwu s SER 129 Cb 0.00 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 1cwu s SER 129 CO 0.00 -0.58 0.40 0.27 0.98 0.00 0.00 173.24 174.31 1cwu s ILE 130 N -2.52 0.00 0.00 -1.02 -4.36 -0.15 -4.87 121.20 108.28 1cwu s ILE 130 Ca 0.18 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 1cwu s ILE 130 Cb 0.01 -2.34 0.00 0.00 1.25 0.00 0.00 42.46 41.38 1cwu s ILE 130 CO -0.00 0.00 0.00 0.47 0.24 0.00 0.00 174.94 175.65 1cwu n ASP 131 N -0.53 2.31 -3.87 4.36 8.00 0.73 -0.89 116.55 126.65 1cwu n ASP 131 Ca -0.00 0.00 -0.18 0.00 0.71 0.00 0.00 54.79 55.32 1cwu n ASP 131 Cb 0.63 0.38 -0.16 0.00 -0.02 0.00 0.00 41.12 41.95 1cwu n ASP 131 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1cwu s ILE 132 N -1.11 0.36 -0.16 0.53 1.01 -0.49 -1.17 121.20 120.17 1cwu s ILE 132 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 60.61 1cwu s ILE 132 Cb 0.00 -0.40 0.01 0.00 0.01 0.00 0.00 42.46 42.08 1cwu s ILE 132 CO 0.00 0.17 -0.19 -0.22 0.00 0.00 0.00 174.94 174.70 1cwu s LEU 133 N 0.76 2.25 -0.14 2.97 2.96 -0.87 -0.20 118.68 126.41 1cwu s LEU 133 Ca -0.09 -0.57 -0.00 0.00 -0.22 0.00 0.00 54.13 53.25 1cwu s LEU 133 Cb -0.12 -1.50 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 1cwu s LEU 133 CO -0.01 0.05 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.25 1cwu s VAL 134 N 1.01 2.92 -0.19 1.68 1.01 -0.33 -1.17 120.40 125.32 1cwu s VAL 134 Ca -0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 61.98 61.23 1cwu s VAL 134 Cb -0.15 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1cwu s VAL 134 CO -0.05 0.52 -0.05 -2.28 0.00 0.00 0.00 175.10 173.24 1cwu s HIS 135 N 0.58 2.95 -0.33 5.22 2.46 -0.58 -0.62 115.29 124.97 1cwu s HIS 135 Ca -0.08 -0.73 0.16 0.00 0.47 0.00 0.00 55.06 54.88 1cwu s HIS 135 Cb -0.16 -2.04 0.44 0.00 -0.13 0.00 0.00 32.58 30.70 1cwu s HIS 135 CO 0.03 -0.38 1.14 0.45 -2.47 0.00 0.00 174.74 173.52 1cwu n SER 136 N 4.34 0.27 -2.74 9.88 2.88 -0.60 -3.40 113.62 124.25 1cwu n SER 136 Ca -0.18 -2.49 -0.15 0.00 -1.33 0.00 0.00 58.87 54.73 1cwu n SER 136 Cb 0.51 0.02 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 1cwu n SER 136 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1cwu n LEU 137 N -0.43 0.00 0.00 2.46 -0.00 -1.26 -4.64 117.00 113.13 1cwu n LEU 137 Ca 0.03 -2.48 0.00 0.00 -0.00 0.00 0.00 56.01 53.56 1cwu n LEU 137 Cb 0.83 1.57 0.00 0.00 -0.00 0.00 0.00 43.42 45.82 1cwu n LEU 137 CO 0.10 -0.46 0.00 0.61 -0.00 0.00 0.00 177.39 177.65 1cwu n GLY 138 N -0.50 3.21 3.40 1.47 0.00 -1.26 -4.82 105.19 106.70 1cwu n GLY 138 Ca 0.05 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 1cwu n GLY 138 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1cwu s ASN 139 N 0.00 -0.47 -0.25 1.61 2.47 -1.26 -4.87 114.94 112.17 1cwu s ASN 139 Ca 0.00 0.63 -0.03 0.00 0.42 0.00 0.00 52.86 53.88 1cwu s ASN 139 Cb 0.00 0.64 0.10 0.00 -1.45 0.00 0.00 41.25 40.55 1cwu s ASN 139 CO 0.00 -0.42 0.20 -0.83 -3.72 0.00 0.00 177.10 172.34 1cwu s GLY 140 N -0.75 0.13 0.55 1.21 0.00 -1.26 -4.06 107.32 103.13 1cwu s GLY 140 Ca -0.08 -0.34 0.24 0.00 0.00 0.00 0.00 44.72 44.53 1cwu s GLY 140 CO 0.05 2.23 2.18 -2.55 0.00 0.00 0.00 173.10 175.01 1cwu h PRO 141 N 8.34 0.00 -0.23 2.90 0.11 -1.91 -3.04 132.00 138.17 1cwu h PRO 141 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1cwu h PRO 141 Cb 1.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1cwu h PRO 141 CO 0.34 0.03 0.00 0.39 -0.21 0.00 0.00 178.00 178.55 1cwu n GLU 142 N -4.08 2.69 -0.60 1.05 1.02 -1.26 -4.80 120.64 114.67 1cwu n GLU 142 Ca -0.03 -2.46 0.47 0.00 -0.02 0.00 0.00 57.16 55.13 1cwu n GLU 142 Cb 0.12 -1.56 0.78 0.00 -0.02 0.00 0.00 31.44 30.76 1cwu n GLU 142 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1cwu h VAL 143 N 1.46 0.09 0.00 2.62 3.04 -1.64 0.76 116.25 122.58 1cwu h VAL 143 Ca 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 1cwu h VAL 143 Cb 1.09 0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 1cwu h VAL 143 CO 0.11 0.00 0.00 0.28 -1.01 0.00 0.00 177.57 176.95 1cwu h SER 144 N 0.01 0.00 -2.99 3.17 0.02 -1.84 0.76 113.55 112.68 1cwu h SER 144 Ca 0.86 0.00 -0.61 0.00 -0.84 0.00 0.00 61.79 61.20 1cwu h SER 144 Cb 3.31 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 65.80 1cwu h SER 144 CO -0.09 0.00 -0.25 -0.54 -1.14 0.00 0.00 176.83 174.81 1cwu s LYS 145 N -3.19 3.81 0.68 3.45 1.02 0.26 -4.89 119.74 120.88 1cwu s LYS 145 Ca 0.08 0.27 -0.15 0.00 0.02 0.00 0.00 55.97 56.19 1cwu s LYS 145 Cb 0.10 -3.15 0.01 0.00 -0.52 0.00 0.00 37.83 34.28 1cwu s LYS 145 CO 0.57 0.66 1.13 -2.14 -0.92 0.00 0.00 175.35 174.65 1cwu s PRO 146 N -1.34 2.64 0.37 -1.68 0.02 -1.26 -0.54 135.00 133.22 1cwu s PRO 146 Ca 0.26 1.45 0.14 0.00 0.02 0.00 0.00 61.00 62.86 1cwu s PRO 146 Cb -0.15 -1.93 0.97 0.00 0.02 0.00 0.00 34.50 33.42 1cwu s PRO 146 CO 0.14 -1.38 1.79 -0.07 -0.33 0.00 0.00 177.00 177.15 1cwu h LEU 147 N -0.09 0.55 -1.44 -5.54 3.38 -1.95 0.33 115.31 110.55 1cwu h LEU 147 Ca -0.47 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1cwu h LEU 147 Cb 1.25 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1cwu h LEU 147 CO 0.53 0.17 0.01 -0.07 0.09 0.00 0.00 178.44 179.17 1cwu h LEU 148 N 0.52 0.34 -2.07 1.67 3.38 -2.04 -2.04 115.31 115.07 1cwu h LEU 148 Ca 0.56 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.48 1cwu h LEU 148 Cb 1.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1cwu h LEU 148 CO -0.30 0.40 0.00 -0.62 0.09 0.00 0.00 178.44 178.01 1cwu n GLU 149 N -4.34 2.37 -3.04 1.13 1.02 0.94 -4.96 120.64 113.75 1cwu n GLU 149 Ca 0.01 -2.05 -0.40 0.00 -0.02 0.00 0.00 57.16 54.69 1cwu n GLU 149 Cb 0.20 -1.49 -0.05 0.00 -0.02 0.00 0.00 31.44 30.08 1cwu n GLU 149 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1cwu s THR 150 N -1.66 5.00 0.71 2.62 2.01 0.06 -4.83 115.64 119.55 1cwu s THR 150 Ca 0.36 1.38 -0.14 0.00 0.31 0.00 0.00 61.69 63.60 1cwu s THR 150 Cb 0.22 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1cwu s THR 150 CO 0.31 0.14 1.11 -0.94 -0.69 0.00 0.00 174.62 174.55 1cwu s SER 151 N 1.05 4.79 0.37 3.53 1.04 -1.26 -4.86 113.70 118.36 1cwu s SER 151 Ca 0.34 1.99 0.18 0.00 0.48 0.00 0.00 55.95 58.93 1cwu s SER 151 Cb -0.17 -2.55 0.69 0.00 0.10 0.00 0.00 66.02 64.10 1cwu s SER 151 CO 0.13 -1.85 1.75 -0.09 0.98 0.00 0.00 173.24 174.16 1cwu h ARG 152 N -0.39 0.00 -0.06 4.02 2.43 -1.98 -0.16 114.38 118.24 1cwu h ARG 152 Ca -0.46 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 58.67 1cwu h ARG 152 Cb 1.25 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 1cwu h ARG 152 CO 0.52 0.38 -0.13 0.87 -1.51 0.00 0.00 179.97 180.11 1cwu h LYS 153 N 0.00 0.20 -0.13 0.20 1.57 -1.99 -2.54 116.57 113.88 1cwu h LYS 153 Ca -0.00 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1cwu h LYS 153 Cb 0.87 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 1cwu h LYS 153 CO 0.05 0.72 0.06 0.78 -0.57 0.00 0.00 179.45 180.49 1cwu h GLY 154 N -0.29 0.21 0.16 3.86 0.00 -1.87 -0.17 103.07 104.97 1cwu h GLY 154 Ca 0.00 -0.11 0.06 0.00 0.00 0.00 0.00 47.33 47.29 1cwu h GLY 154 CO 0.03 0.10 -0.25 -1.82 0.00 0.00 0.00 176.54 174.60 1cwu h TYR 155 N 0.08 -0.67 -0.61 5.60 5.03 -1.11 0.29 116.97 125.58 1cwu h TYR 155 Ca 0.05 0.04 -0.05 0.00 2.58 0.00 0.00 58.73 61.34 1cwu h TYR 155 Cb 0.13 0.33 -0.03 0.00 1.55 0.00 0.00 36.73 38.71 1cwu h TYR 155 CO -0.03 -0.33 0.16 -0.07 -1.32 0.00 0.00 178.16 176.58 1cwu h LEU 156 N -0.27 0.87 -0.11 2.82 3.38 -1.34 -0.61 115.31 120.05 1cwu h LEU 156 Ca 0.13 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1cwu h LEU 156 Cb 0.47 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1cwu h LEU 156 CO -0.38 0.84 0.06 0.00 0.09 0.00 0.00 178.44 179.06 1cwu h ALA 157 N 1.27 0.14 -0.83 1.53 0.00 -0.15 0.32 119.26 121.55 1cwu h ALA 157 Ca 0.20 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1cwu h ALA 157 Cb 0.30 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.97 1cwu h ALA 157 CO -0.00 -0.33 0.48 0.00 0.00 0.00 0.00 179.25 179.39 1cwu h ALA 158 N 0.98 1.18 0.00 0.00 0.00 -0.09 0.11 119.26 121.45 1cwu h ALA 158 Ca 0.04 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1cwu h ALA 158 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1cwu h ALA 158 CO -0.01 0.12 -0.71 0.82 0.00 0.00 0.00 179.25 179.47 1cwu h ILE 159 N 0.81 1.39 -0.05 0.00 1.08 -0.68 -1.77 117.51 118.28 1cwu h ILE 159 Ca 0.40 -2.52 -0.10 0.00 -0.39 0.00 0.00 64.86 62.24 1cwu h ILE 159 Cb 0.34 2.40 0.01 0.00 -3.07 0.00 0.00 36.82 36.50 1cwu h ILE 159 CO -0.24 0.69 -0.36 -1.28 -0.69 0.00 0.00 178.15 176.28 1cwu h SER 160 N 0.00 0.41 0.36 1.72 0.87 0.61 0.64 113.55 118.16 1cwu h SER 160 Ca -0.01 -0.68 -0.28 0.00 -1.23 0.00 0.00 61.79 59.59 1cwu h SER 160 Cb 1.35 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 63.20 1cwu h SER 160 CO 0.09 1.02 -1.23 0.00 -0.53 0.00 0.00 176.83 176.18 1cwu h ALA 161 N 0.40 0.07 0.15 6.23 0.00 -1.10 -2.38 119.26 122.62 1cwu h ALA 161 Ca -0.03 -0.81 -0.36 0.00 0.00 0.00 0.00 54.91 53.71 1cwu h ALA 161 Cb 1.03 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1cwu h ALA 161 CO 0.07 0.81 -1.90 0.77 0.00 0.00 0.00 179.25 179.00 1cwu h SER 162 N 0.18 0.49 0.00 0.00 0.02 -1.43 -3.37 113.55 109.44 1cwu h SER 162 Ca -0.16 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 59.85 1cwu h SER 162 Cb 1.92 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 64.30 1cwu h SER 162 CO 0.22 1.83 -0.63 -1.20 -1.14 0.00 0.00 176.83 175.91 1cwu n SER 163 N -3.52 1.25 -0.21 3.07 7.64 0.08 -4.60 113.62 117.34 1cwu n SER 163 Ca -0.29 0.21 0.12 0.00 1.01 0.00 0.00 58.87 59.92 1cwu n SER 163 Cb 1.06 -0.64 0.42 0.00 -1.01 0.00 0.00 64.21 64.04 1cwu n SER 163 CO 0.00 0.00 0.00 0.22 -3.01 0.00 0.00 175.04 172.25 1cwu h TYR 164 N -0.63 0.68 -0.97 1.43 3.20 -1.28 -0.32 116.97 119.08 1cwu h TYR 164 Ca 0.00 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.09 1cwu h TYR 164 Cb 0.63 -0.22 -0.09 0.00 1.54 0.00 0.00 36.73 38.59 1cwu h TYR 164 CO -0.27 0.28 0.62 0.66 -1.64 0.00 0.00 178.16 177.81 1cwu h SER 165 N 0.60 0.59 -0.40 -2.11 4.64 -1.63 0.25 113.55 115.50 1cwu h SER 165 Ca 0.39 0.07 -0.05 0.00 -0.47 0.00 0.00 61.79 61.73 1cwu h SER 165 Cb 0.65 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1cwu h SER 165 CO -0.15 0.21 0.06 0.15 -0.87 0.00 0.00 176.83 176.23 1cwu h PHE 166 N 0.57 0.70 -0.46 4.77 3.57 -1.30 0.14 116.94 124.94 1cwu h PHE 166 Ca 0.54 -0.10 0.06 0.00 3.53 0.00 0.00 57.97 61.99 1cwu h PHE 166 Cb 1.09 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.58 1cwu h PHE 166 CO -0.00 0.70 0.16 0.28 -2.23 0.00 0.00 178.31 177.22 1cwu h VAL 167 N 0.51 0.86 0.08 1.41 2.07 -0.62 -0.64 116.25 119.92 1cwu h VAL 167 Ca 0.12 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1cwu h VAL 167 Cb 0.38 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1cwu h VAL 167 CO 0.01 0.06 -0.04 -1.28 0.02 0.00 0.00 177.57 176.34 1cwu h SER 168 N 0.34 -0.10 0.37 0.57 0.87 -0.36 0.98 113.55 116.22 1cwu h SER 168 Ca 0.21 -0.12 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 1cwu h SER 168 Cb 0.21 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1cwu h SER 168 CO -0.22 0.07 -0.43 -0.07 -0.53 0.00 0.00 176.83 175.64 1cwu h LEU 169 N -0.25 -1.21 -0.24 2.23 3.38 -0.46 0.20 115.31 118.97 1cwu h LEU 169 Ca -0.01 0.11 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1cwu h LEU 169 Cb 0.21 0.41 -0.06 0.00 0.09 0.00 0.00 40.66 41.32 1cwu h LEU 169 CO 0.02 -0.57 -0.16 0.25 0.09 0.00 0.00 178.44 178.07 1cwu h LEU 170 N -0.84 -0.51 -1.16 1.67 5.85 -1.08 0.16 115.31 119.40 1cwu h LEU 170 Ca -0.03 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.87 1cwu h LEU 170 Cb 0.76 0.26 -0.06 0.00 0.37 0.00 0.00 40.66 42.00 1cwu h LEU 170 CO -0.10 -0.20 0.58 -1.28 -0.34 0.00 0.00 178.44 177.10 1cwu h SER 171 N -0.15 0.89 0.13 1.25 0.87 -0.48 0.43 113.55 116.49 1cwu h SER 171 Ca 0.13 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 1cwu h SER 171 Cb 0.35 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1cwu h SER 171 CO -0.33 0.56 -0.06 0.45 -0.53 0.00 0.00 176.83 176.93 1cwu h HIS 172 N 1.00 -0.16 -0.17 2.24 3.86 0.72 -3.34 115.15 119.31 1cwu h HIS 172 Ca 0.39 -0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 59.52 1cwu h HIS 172 Cb 0.23 0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.73 1cwu h HIS 172 CO -0.00 0.30 -0.24 0.74 0.86 0.00 0.00 177.93 179.60 1cwu h PHE 173 N -0.89 0.33 -1.56 2.45 0.04 -0.62 -3.24 116.94 113.46 1cwu h PHE 173 Ca -0.02 -0.06 0.46 0.00 2.80 0.00 0.00 57.97 61.15 1cwu h PHE 173 Cb 0.53 -0.09 -0.08 0.00 2.20 0.00 0.00 35.95 38.52 1cwu h PHE 173 CO 0.10 0.52 1.10 1.25 -0.60 0.00 0.00 178.31 180.68 1cwu h LEU 174 N 0.28 0.07 -0.96 1.54 5.85 -0.25 0.46 115.31 122.30 1cwu h LEU 174 Ca 0.04 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1cwu h LEU 174 Cb 0.57 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 1cwu h LEU 174 CO 0.04 -0.03 -0.21 -0.65 -0.34 0.00 0.00 178.44 177.25 1cwu h PRO 175 N 0.03 0.52 -0.67 5.25 0.11 -1.76 -2.92 132.00 132.57 1cwu h PRO 175 Ca 0.78 -0.18 -0.14 0.00 0.11 0.00 0.00 66.00 66.57 1cwu h PRO 175 Cb 2.96 -0.04 -0.08 0.00 0.11 0.00 0.00 31.00 33.95 1cwu h PRO 175 CO -0.10 0.70 0.17 0.44 -0.21 0.00 0.00 178.00 179.00 1cwu n ILE 176 N -4.14 2.87 -3.57 4.15 -5.35 0.16 -4.92 119.36 108.55 1cwu n ILE 176 Ca 0.00 -1.60 -0.37 0.00 -0.27 0.00 0.00 62.75 60.50 1cwu n ILE 176 Cb 0.38 -0.33 -0.06 0.00 -1.74 0.00 0.00 39.64 37.89 1cwu n ILE 176 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 1cwu s MET 177 N -2.93 3.93 -0.21 6.28 -1.94 -1.05 -0.98 119.30 122.39 1cwu s MET 177 Ca 0.55 0.23 -0.29 0.00 -1.71 0.00 0.00 55.69 54.47 1cwu s MET 177 Cb 0.43 -3.27 0.01 0.00 2.01 0.00 0.00 34.83 34.00 1cwu s MET 177 CO 0.14 0.57 1.04 -0.80 -0.01 0.00 0.00 175.02 175.96 1cwu s ASN 178 N -0.61 7.11 0.08 3.03 0.01 -0.07 -4.94 114.94 119.55 1cwu s ASN 178 Ca 0.20 1.41 -0.36 0.00 -0.71 0.00 0.00 52.86 53.40 1cwu s ASN 178 Cb -0.15 -2.54 -0.18 0.00 0.41 0.00 0.00 41.25 38.79 1cwu s ASN 178 CO 0.09 -0.65 1.13 -2.65 -1.51 0.00 0.00 177.10 173.51 1cwu n PRO 179 N 6.18 0.63 0.00 -0.60 -0.02 -1.26 -0.25 135.00 139.69 1cwu n PRO 179 Ca 0.12 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1cwu n PRO 179 Cb 0.46 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1cwu n PRO 179 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cwu n GLY 180 N 1.99 0.77 2.42 -1.23 0.00 -1.08 -5.04 105.19 103.02 1cwu n GLY 180 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1cwu n GLY 180 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwu n GLY 181 N -1.42 -1.06 3.58 -0.02 0.00 0.66 -4.90 105.19 102.03 1cwu n GLY 181 Ca 0.00 -1.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.19 1cwu n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cwu s ALA 182 N -3.84 -1.61 0.14 4.61 0.00 -0.32 -1.79 121.76 118.96 1cwu s ALA 182 Ca 0.46 0.45 0.06 0.00 0.00 0.00 0.00 51.96 52.93 1cwu s ALA 182 Cb -0.01 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 1cwu s ALA 182 CO 0.32 -0.84 -0.14 -1.54 0.00 0.00 0.00 175.76 173.56 1cwu s SER 183 N -2.73 2.18 0.01 0.00 1.04 0.11 -2.05 113.70 112.25 1cwu s SER 183 Ca 0.06 -0.87 -0.04 0.00 0.48 0.00 0.00 55.95 55.57 1cwu s SER 183 Cb -0.02 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.01 1cwu s SER 183 CO -0.06 -0.15 0.07 -0.51 0.98 0.00 0.00 173.24 173.57 1cwu s ILE 184 N -2.38 0.09 0.20 -1.02 1.10 -0.31 -2.21 121.20 116.67 1cwu s ILE 184 Ca 0.13 -0.72 -0.06 0.00 -0.51 0.00 0.00 60.65 59.48 1cwu s ILE 184 Cb -0.04 -0.35 -0.02 0.00 0.15 0.00 0.00 42.46 42.21 1cwu s ILE 184 CO 0.04 -0.40 0.26 -0.94 -2.11 0.00 0.00 174.94 171.79 1cwu s SER 185 N -1.31 0.07 -0.18 4.50 1.04 -1.10 -1.52 113.70 115.20 1cwu s SER 185 Ca -0.14 -1.11 0.01 0.00 0.48 0.00 0.00 55.95 55.18 1cwu s SER 185 Cb -0.08 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.51 1cwu s SER 185 CO 0.01 -0.93 -0.19 -0.76 0.98 0.00 0.00 173.24 172.34 1cwu s LEU 186 N -3.06 2.14 0.00 2.42 1.43 -1.22 -0.56 118.68 119.83 1cwu s LEU 186 Ca 0.28 -0.66 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 1cwu s LEU 186 Cb 0.04 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1cwu s LEU 186 CO 0.07 -0.01 0.00 1.07 0.23 0.00 0.00 176.35 177.72 1cwu n THR 187 N 4.62 0.00 -3.66 5.49 5.66 0.74 -4.93 114.28 122.20 1cwu n THR 187 Ca -0.21 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.64 1cwu n THR 187 Cb 0.50 -0.42 -0.08 0.00 -1.55 0.00 0.00 70.33 68.78 1cwu n THR 187 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1cwu s TYR 188 N -0.08 -0.43 0.58 1.09 5.04 -1.26 -2.79 117.35 119.50 1cwu s TYR 188 Ca 0.00 0.82 0.29 0.00 -2.44 0.00 0.00 57.07 55.74 1cwu s TYR 188 Cb 0.00 0.23 1.46 0.00 0.35 0.00 0.00 41.96 44.00 1cwu s TYR 188 CO 0.00 -0.44 1.89 0.97 -1.34 0.00 0.00 175.55 176.63 1cwu h ILE 189 N 3.67 0.42 0.00 3.14 6.09 -1.91 -1.31 117.51 127.61 1cwu h ILE 189 Ca -0.28 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.21 1cwu h ILE 189 Cb 1.16 0.60 0.00 0.00 0.47 0.00 0.00 36.82 39.05 1cwu h ILE 189 CO 0.35 0.00 0.10 0.00 -3.07 0.00 0.00 178.15 175.53 1cwu h ALA 190 N 1.48 1.08 -0.21 0.18 0.00 -1.94 0.70 119.26 120.55 1cwu h ALA 190 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1cwu h ALA 190 Cb 1.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1cwu h ALA 190 CO -0.00 -0.08 -0.34 0.66 0.00 0.00 0.00 179.25 179.48 1cwu h SER 191 N 0.00 0.46 0.00 0.00 4.64 -1.41 -3.31 113.55 113.92 1cwu h SER 191 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1cwu h SER 191 Cb 0.20 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1cwu h SER 191 CO 0.00 0.77 -0.84 -0.62 -0.87 0.00 0.00 176.83 175.28 1cwu n GLU 192 N -4.06 2.38 -4.05 4.77 1.02 0.09 -4.62 120.64 116.17 1cwu n GLU 192 Ca -0.01 -0.03 -0.09 0.00 -0.02 0.00 0.00 57.16 57.01 1cwu n GLU 192 Cb 0.46 -1.11 -0.11 0.00 -0.02 0.00 0.00 31.44 30.67 1cwu n GLU 192 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1cwu s ARG 193 N -2.29 0.51 -0.23 3.49 1.81 -0.33 -5.11 118.95 116.79 1cwu s ARG 193 Ca 0.02 -0.95 -0.29 0.00 -1.72 0.00 0.00 55.73 52.79 1cwu s ARG 193 Cb 0.08 0.08 -0.01 0.00 -0.45 0.00 0.00 34.95 34.65 1cwu s ARG 193 CO 0.47 -0.06 1.38 0.42 -0.68 0.00 0.00 175.30 176.83 1cwu s ILE 194 N -2.67 4.05 -0.40 1.52 1.01 -1.26 -4.09 121.20 119.35 1cwu s ILE 194 Ca -0.03 1.21 0.02 0.00 0.00 0.00 0.00 60.65 61.85 1cwu s ILE 194 Cb -0.01 -3.98 0.12 0.00 0.01 0.00 0.00 42.46 38.60 1cwu s ILE 194 CO -0.05 -0.33 0.17 -0.63 0.00 0.00 0.00 174.94 174.11 1cwu s ILE 195 N 4.32 1.71 0.29 2.92 -1.09 -1.26 -5.03 121.20 123.06 1cwu s ILE 195 Ca 0.60 -2.40 -0.27 0.00 -2.23 0.00 0.00 60.65 56.35 1cwu s ILE 195 Cb -0.21 -2.23 -0.14 0.00 -1.58 0.00 0.00 42.46 38.31 1cwu s ILE 195 CO 0.23 -0.76 0.91 -2.65 -1.23 0.00 0.00 174.94 171.44 1cwu n PRO 196 N 3.91 1.11 0.00 2.79 -0.02 -1.26 -2.22 135.00 139.31 1cwu n PRO 196 Ca 0.04 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 1cwu n PRO 196 Cb 0.37 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.14 1cwu n PRO 196 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cwu n GLY 197 N 1.36 3.32 3.27 -1.23 0.00 -1.26 -4.98 105.19 105.67 1cwu n GLY 197 Ca 0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.69 1cwu n GLY 197 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1cwu n TYR 198 N -1.81 4.52 -1.69 1.61 9.36 -0.94 -4.70 117.16 123.51 1cwu n TYR 198 Ca 0.00 -3.48 0.00 0.00 3.32 0.00 0.00 57.90 57.74 1cwu n TYR 198 Cb 0.00 -1.74 0.00 0.00 -0.63 0.00 0.00 39.34 36.97 1cwu n TYR 198 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1cwu n GLY 199 N 2.73 2.77 2.41 2.98 0.00 0.26 -4.11 105.19 112.23 1cwu n GLY 199 Ca 0.28 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 44.30 1cwu n GLY 199 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwu n GLY 200 N 5.00 0.64 1.81 -0.02 0.00 0.30 -1.49 105.19 111.44 1cwu n GLY 200 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1cwu n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cwu n GLY 201 N -1.31 0.54 0.26 -0.02 0.00 -1.26 -3.92 105.19 99.47 1cwu n GLY 201 Ca -0.04 -0.08 -0.06 0.00 0.00 0.00 0.00 46.02 45.83 1cwu n GLY 201 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1cwu h MET 202 N 1.17 0.86 -0.75 1.61 2.07 -1.51 0.29 114.93 118.68 1cwu h MET 202 Ca 0.00 -0.10 0.07 0.00 -2.07 0.00 0.00 59.70 57.60 1cwu h MET 202 Cb 0.00 -0.17 -0.06 0.00 -1.87 0.00 0.00 31.60 29.50 1cwu h MET 202 CO 0.00 0.65 0.43 0.66 1.07 0.00 0.00 176.91 179.72 1cwu h SER 203 N 0.84 0.64 -0.41 1.22 4.64 -1.78 0.20 113.55 118.90 1cwu h SER 203 Ca 0.22 0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.52 1cwu h SER 203 Cb 0.04 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.01 1cwu h SER 203 CO -0.04 0.40 0.09 0.28 -0.87 0.00 0.00 176.83 176.69 1cwu h SER 204 N 0.77 0.70 -0.40 4.97 0.02 -1.54 -1.38 113.55 116.69 1cwu h SER 204 Ca 0.34 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1cwu h SER 204 Cb 0.23 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1cwu h SER 204 CO -0.20 0.71 0.12 0.00 -1.14 0.00 0.00 176.83 176.32 1cwu h ALA 205 N 1.38 0.53 -0.23 3.77 0.00 0.24 -1.43 119.26 123.52 1cwu h ALA 205 Ca 0.16 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1cwu h ALA 205 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1cwu h ALA 205 CO 0.00 0.19 0.09 0.87 0.00 0.00 0.00 179.25 180.40 1cwu h LYS 206 N 0.51 0.34 -0.69 0.00 1.79 -0.43 0.70 116.57 118.80 1cwu h LYS 206 Ca 0.13 -0.06 0.12 0.00 -2.18 0.00 0.00 60.65 58.66 1cwu h LYS 206 Cb 0.28 -0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 30.79 1cwu h LYS 206 CO -0.00 0.40 0.25 0.00 -1.08 0.00 0.00 179.45 179.02 1cwu h ALA 207 N 0.93 0.92 -0.49 3.86 0.00 -1.12 0.65 119.26 124.00 1cwu h ALA 207 Ca 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1cwu h ALA 207 Cb 0.19 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1cwu h ALA 207 CO -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.04 1cwu h ALA 208 N 1.50 0.66 -0.83 0.00 0.00 -0.83 0.15 119.26 119.91 1cwu h ALA 208 Ca 0.37 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1cwu h ALA 208 Cb 0.52 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1cwu h ALA 208 CO -0.37 0.47 0.40 1.25 0.00 0.00 0.00 179.25 181.01 1cwu h LEU 209 N 0.73 1.09 -0.13 0.00 5.85 0.10 0.53 115.31 123.48 1cwu h LEU 209 Ca 0.14 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1cwu h LEU 209 Cb 0.51 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 1cwu h LEU 209 CO 0.03 0.91 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.54 1cwu h GLU 210 N 1.19 0.34 -0.73 1.25 5.08 0.57 -2.53 114.58 119.75 1cwu h GLU 210 Ca 0.29 -0.20 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1cwu h GLU 210 Cb 0.11 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1cwu h GLU 210 CO -0.04 0.76 0.40 1.03 -1.00 0.00 0.00 179.01 180.16 1cwu h SER 211 N -0.05 0.56 0.62 1.42 0.87 -0.31 -0.68 113.55 115.98 1cwu h SER 211 Ca 0.02 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1cwu h SER 211 Cb 0.72 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1cwu h SER 211 CO 0.04 0.33 -0.12 0.44 -0.53 0.00 0.00 176.83 177.00 1cwu h ASP 212 N 0.69 0.00 -0.19 6.23 3.32 -0.85 -2.57 116.42 123.05 1cwu h ASP 212 Ca 0.35 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1cwu h ASP 212 Cb 0.30 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1cwu h ASP 212 CO -0.23 0.12 0.11 0.74 -1.72 0.00 0.00 179.24 178.25 1cwu h THR 213 N 0.00 1.10 0.32 0.35 2.02 -0.66 0.35 112.91 116.38 1cwu h THR 213 Ca -0.00 -0.25 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 1cwu h THR 213 Cb 0.45 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1cwu h THR 213 CO 0.02 0.09 -0.15 0.03 0.37 0.00 0.00 175.52 175.87 1cwu h ARG 214 N 0.21 -0.41 -0.67 6.66 3.08 -1.43 0.61 114.38 122.42 1cwu h ARG 214 Ca 0.07 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1cwu h ARG 214 Cb 0.05 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1cwu h ARG 214 CO -0.01 -0.27 0.29 0.28 -1.07 0.00 0.00 179.97 179.19 1cwu h VAL 215 N -0.43 1.23 -0.02 2.04 2.07 -1.23 -2.19 116.25 117.71 1cwu h VAL 215 Ca -0.04 -0.68 -0.12 0.00 0.82 0.00 0.00 66.70 66.68 1cwu h VAL 215 Cb 0.33 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 1cwu h VAL 215 CO 0.07 0.28 -0.55 -0.07 0.02 0.00 0.00 177.57 177.32 1cwu h LEU 216 N 0.96 0.06 -1.04 2.57 3.38 -0.14 0.69 115.31 121.78 1cwu h LEU 216 Ca 0.23 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1cwu h LEU 216 Cb 0.15 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1cwu h LEU 216 CO -0.02 0.59 0.42 0.00 0.09 0.00 0.00 178.44 179.53 1cwu h ALA 217 N 1.41 1.27 0.40 1.53 0.00 -0.38 1.25 119.26 124.73 1cwu h ALA 217 Ca -0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1cwu h ALA 217 Cb 0.98 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1cwu h ALA 217 CO 0.07 0.59 -0.19 0.35 0.00 0.00 0.00 179.25 180.07 1cwu h PHE 218 N 1.10 -0.50 0.48 0.00 3.57 -0.96 0.65 116.94 121.28 1cwu h PHE 218 Ca 0.28 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1cwu h PHE 218 Cb 0.03 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1cwu h PHE 218 CO 0.01 -0.18 -0.48 0.93 -2.23 0.00 0.00 178.31 176.36 1cwu h GLU 219 N -0.98 -0.92 -0.07 1.11 5.08 -0.16 0.11 114.58 118.75 1cwu h GLU 219 Ca -0.05 0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 1cwu h GLU 219 Cb 0.54 0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1cwu h GLU 219 CO 0.09 -0.61 -0.42 0.00 -1.00 0.00 0.00 179.01 177.07 1cwu h ALA 220 N -0.97 1.17 -0.44 3.43 0.00 0.14 -1.30 119.26 121.29 1cwu h ALA 220 Ca -0.06 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.45 1cwu h ALA 220 Cb 0.83 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1cwu h ALA 220 CO -0.06 0.58 0.28 0.78 0.00 0.00 0.00 179.25 180.83 1cwu h GLY 221 N 1.25 0.62 1.67 0.00 0.00 -0.50 0.22 103.07 106.33 1cwu h GLY 221 Ca 0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1cwu h GLY 221 CO 0.06 0.20 -0.59 3.21 0.00 0.00 0.00 176.54 179.43 1cwu h ARG 222 N 0.56 0.00 0.08 4.80 2.47 -0.62 -2.55 114.38 119.12 1cwu h ARG 222 Ca 0.17 0.00 -0.32 0.00 -1.26 0.00 0.00 59.98 58.57 1cwu h ARG 222 Cb -0.03 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 1cwu h ARG 222 CO -0.06 0.24 -1.76 -0.22 0.56 0.00 0.00 179.97 178.73 1cwu h LYS 223 N 0.00 0.16 0.00 0.04 3.64 -0.92 -3.42 116.57 116.07 1cwu h LYS 223 Ca -0.03 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1cwu h LYS 223 Cb 1.24 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 1cwu h LYS 223 CO 0.03 0.92 -0.15 0.94 -2.27 0.00 0.00 179.45 178.93 1cwu n GLN 224 N -3.31 0.00 -3.80 1.90 -0.06 0.02 -5.01 117.38 107.12 1cwu n GLN 224 Ca -0.22 -0.59 -0.29 0.00 -2.00 0.00 0.00 57.00 53.89 1cwu n GLN 224 Cb 1.05 -0.45 0.01 0.00 -4.06 0.00 0.00 30.24 26.79 1cwu n GLN 224 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1cwu n ASN 225 N 0.00 -4.49 -4.90 1.69 3.02 -0.94 -3.94 115.26 105.71 1cwu n ASN 225 Ca 0.00 -0.70 -0.33 0.00 -0.03 0.00 0.00 54.58 53.51 1cwu n ASN 225 Cb 0.56 -3.62 -0.05 0.00 -0.61 0.00 0.00 39.78 36.06 1cwu n ASN 225 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1cwu s ILE 226 N -3.21 5.33 0.14 2.41 -1.09 -1.13 -2.62 121.20 121.03 1cwu s ILE 226 Ca 0.61 0.00 0.03 0.00 -2.23 0.00 0.00 60.65 59.06 1cwu s ILE 226 Cb -0.31 -3.57 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1cwu s ILE 226 CO 0.75 0.29 0.24 -0.13 -1.23 0.00 0.00 174.94 174.85 1cwu s ARG 227 N -2.01 3.29 -0.05 2.79 0.52 -0.74 -3.17 118.95 119.58 1cwu s ARG 227 Ca 0.30 -0.65 -0.02 0.00 -0.52 0.00 0.00 55.73 54.84 1cwu s ARG 227 Cb -0.13 -2.89 0.03 0.00 0.52 0.00 0.00 34.95 32.49 1cwu s ARG 227 CO 0.19 0.52 0.08 0.08 0.02 0.00 0.00 175.30 176.20 1cwu s VAL 228 N -1.71 -0.12 0.20 3.52 1.01 -1.26 0.08 120.40 122.12 1cwu s VAL 228 Ca 0.34 0.34 -0.02 0.00 0.00 0.00 0.00 61.98 62.63 1cwu s VAL 228 Cb -0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 1cwu s VAL 228 CO 0.27 0.14 0.17 0.20 0.00 0.00 0.00 175.10 175.88 1cwu s ASN 229 N 1.83 0.13 0.02 3.32 0.01 -0.94 0.12 114.94 119.42 1cwu s ASN 229 Ca -0.00 -1.33 0.00 0.00 -0.71 0.00 0.00 52.86 50.82 1cwu s ASN 229 Cb -0.12 0.40 -0.02 0.00 0.41 0.00 0.00 41.25 41.92 1cwu s ASN 229 CO -0.04 -0.87 -0.03 0.28 -1.51 0.00 0.00 177.10 174.93 1cwu s THR 230 N -4.14 0.11 -0.17 1.60 -1.32 -0.05 -2.71 115.64 108.95 1cwu s THR 230 Ca 0.36 -0.87 -0.02 0.00 -1.21 0.00 0.00 61.69 59.95 1cwu s THR 230 Cb 0.06 -0.25 -0.01 0.00 -1.51 0.00 0.00 72.50 70.78 1cwu s THR 230 CO 0.11 -0.48 -0.08 -0.63 -2.21 0.00 0.00 174.62 171.34 1cwu s ILE 231 N -1.39 3.32 -0.71 5.08 1.01 0.28 -1.71 121.20 127.07 1cwu s ILE 231 Ca -0.15 -0.54 -0.21 0.00 0.00 0.00 0.00 60.65 59.75 1cwu s ILE 231 Cb -0.10 -2.46 0.10 0.00 0.01 0.00 0.00 42.46 40.01 1cwu s ILE 231 CO -0.01 0.48 0.93 -0.55 0.00 0.00 0.00 174.94 175.79 1cwu s SER 232 N 0.82 6.29 0.42 3.58 0.15 -0.33 -0.19 113.70 124.45 1cwu s SER 232 Ca -0.03 -1.38 -0.09 0.00 0.70 0.00 0.00 55.95 55.16 1cwu s SER 232 Cb -0.15 -2.38 -0.05 0.00 -1.71 0.00 0.00 66.02 61.73 1cwu s SER 232 CO 0.01 -1.26 0.77 0.00 1.20 0.00 0.00 173.24 173.96 1cwu s ALA 233 N 3.33 3.37 0.94 5.45 0.00 -1.12 -1.85 121.76 131.88 1cwu s ALA 233 Ca 0.22 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.76 1cwu s ALA 233 Cb -0.16 -2.65 0.17 0.00 0.00 0.00 0.00 23.12 20.48 1cwu s ALA 233 CO 0.04 -0.11 1.05 0.41 0.00 0.00 0.00 175.76 177.16 1cwu n GLY 234 N -1.58 -1.03 3.74 0.00 0.00 -1.13 -4.65 105.19 100.54 1cwu n GLY 234 Ca 0.02 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1cwu n GLY 234 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1cwu s PRO 235 N -5.26 4.51 -0.06 1.61 0.04 -1.26 -5.03 135.00 129.55 1cwu s PRO 235 Ca 0.61 1.87 -0.03 0.00 0.04 0.00 0.00 61.00 63.49 1cwu s PRO 235 Cb -0.02 -3.23 0.04 0.00 0.04 0.00 0.00 34.50 31.33 1cwu s PRO 235 CO 0.42 -0.05 0.11 -1.17 0.04 0.00 0.00 177.00 176.35 1cwu s LEU 236 N -0.42 0.05 0.00 -3.56 2.96 -1.26 -4.79 118.68 111.66 1cwu s LEU 236 Ca 0.52 0.21 -0.00 0.00 -0.22 0.00 0.00 54.13 54.63 1cwu s LEU 236 Cb -0.33 0.07 -0.01 0.00 0.50 0.00 0.00 46.19 46.43 1cwu s LEU 236 CO 0.37 -0.24 0.43 0.61 -1.32 0.00 0.00 176.35 176.20 1cwu n GLY 237 N 5.29 0.90 1.94 7.98 0.00 -1.26 -4.69 105.19 115.35 1cwu n GLY 237 Ca -0.04 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.77 1cwu n GLY 237 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cwu n SER 238 N 2.09 -3.23 -0.09 1.61 3.41 -1.26 -4.57 113.62 111.59 1cwu n SER 238 Ca 0.01 -0.51 -0.12 0.00 -0.26 0.00 0.00 58.87 58.00 1cwu n SER 238 Cb 0.09 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.40 1cwu n SER 238 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1cwu h ARG 239 N 0.00 0.56 -0.27 4.33 2.43 -1.90 0.14 114.38 119.67 1cwu h ARG 239 Ca -0.23 -0.23 -0.16 0.00 -0.81 0.00 0.00 59.98 58.55 1cwu h ARG 239 Cb 0.77 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.29 1cwu h ARG 239 CO 0.14 0.79 -0.47 0.00 -1.51 0.00 0.00 179.97 178.91 1cwu h ALA 240 N 0.75 0.65 -0.12 2.80 0.00 -1.95 -2.43 119.26 118.96 1cwu h ALA 240 Ca 0.06 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 1cwu h ALA 240 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1cwu h ALA 240 CO 0.04 0.67 -0.28 0.00 0.00 0.00 0.00 179.25 179.68 1cwu h ALA 241 N 0.89 1.30 -0.21 0.00 0.00 -1.82 -2.15 119.26 117.27 1cwu h ALA 241 Ca 0.03 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.66 1cwu h ALA 241 Cb 1.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1cwu h ALA 241 CO 0.10 0.48 -0.00 0.87 0.00 0.00 0.00 179.25 180.70 1cwu h LYS 242 N 0.20 0.06 -0.33 0.00 1.79 -0.26 -2.64 116.57 115.40 1cwu h LYS 242 Ca 0.03 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1cwu h LYS 242 Cb 0.61 -0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.21 1cwu h LYS 242 CO 0.04 0.04 0.15 0.00 -1.08 0.00 0.00 179.45 178.61 1cwu h ALA 243 N 1.18 0.40 -0.90 3.86 0.00 -1.00 -2.56 119.26 120.24 1cwu h ALA 243 Ca 0.10 0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.27 1cwu h ALA 243 Cb 0.12 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.74 1cwu h ALA 243 CO -0.17 -0.23 0.33 0.82 0.00 0.00 0.00 179.25 180.01 1cwu h ILE 244 N 0.32 0.36 -0.80 0.00 2.04 -1.06 -3.46 117.51 114.92 1cwu h ILE 244 Ca 0.14 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1cwu h ILE 244 Cb 0.07 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1cwu h ILE 244 CO -0.11 0.05 -0.02 0.61 0.00 0.00 0.00 178.15 178.68 1cwu n GLY 245 N -1.35 0.74 0.00 5.37 0.00 -0.96 -4.91 105.19 104.07 1cwu n GLY 245 Ca 0.23 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.53 1cwu n GLY 245 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1cwu n PHE 246 N -3.02 0.00 -0.15 1.61 -0.00 -1.26 -4.97 117.46 109.67 1cwu n PHE 246 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.35 1cwu n PHE 246 Cb 0.50 0.02 -0.01 0.00 -0.00 0.00 0.00 39.48 40.00 1cwu n PHE 246 CO 0.00 0.00 0.00 -0.84 -0.00 0.00 0.00 176.76 175.92 1cwu h ILE 247 N 0.80 1.23 -0.62 1.97 3.07 -1.93 -2.39 117.51 119.64 1cwu h ILE 247 Ca 0.00 -0.79 0.10 0.00 1.55 0.00 0.00 64.86 65.73 1cwu h ILE 247 Cb 0.40 0.94 -0.08 0.00 -0.27 0.00 0.00 36.82 37.81 1cwu h ILE 247 CO 0.00 0.28 0.21 0.44 -1.05 0.00 0.00 178.15 178.03 1cwu h ASP 248 N 0.54 0.18 -0.42 2.16 3.32 -1.93 3.64 116.42 123.92 1cwu h ASP 248 Ca 0.13 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 1cwu h ASP 248 Cb 0.31 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1cwu h ASP 248 CO 0.00 0.10 0.17 0.74 -1.72 0.00 0.00 179.24 178.53 1cwu h THR 249 N 0.38 1.20 -0.51 0.35 2.02 -1.94 0.53 112.91 114.94 1cwu h THR 249 Ca 0.32 -0.60 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 1cwu h THR 249 Cb 0.43 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 1cwu h THR 249 CO -0.34 0.22 0.03 0.24 0.37 0.00 0.00 175.52 176.05 1cwu h MET 250 N 0.53 0.88 0.15 6.66 2.86 -0.28 0.86 114.93 126.58 1cwu h MET 250 Ca 0.14 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1cwu h MET 250 Cb 0.18 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1cwu h MET 250 CO -0.01 0.89 -0.07 0.82 1.06 0.00 0.00 176.91 179.60 1cwu h ILE 251 N 0.75 0.90 -0.73 -1.22 2.04 0.73 0.48 117.51 120.45 1cwu h ILE 251 Ca 0.15 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 1cwu h ILE 251 Cb 0.47 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.55 1cwu h ILE 251 CO 0.02 0.05 0.35 -0.08 0.00 0.00 0.00 178.15 178.49 1cwu h GLU 252 N -0.29 1.04 -0.51 2.37 4.57 0.24 -1.22 114.58 120.78 1cwu h GLU 252 Ca -0.02 -0.14 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1cwu h GLU 252 Cb 0.23 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 1cwu h GLU 252 CO 0.03 0.80 0.30 -0.92 -1.18 0.00 0.00 179.01 178.04 1cwu h TYR 253 N 1.04 0.68 -0.34 0.92 5.03 0.13 -1.54 116.97 122.89 1cwu h TYR 253 Ca 0.25 -0.01 -0.08 0.00 2.58 0.00 0.00 58.73 61.48 1cwu h TYR 253 Cb 0.10 -0.22 -0.02 0.00 1.55 0.00 0.00 36.73 38.14 1cwu h TYR 253 CO 0.01 0.48 -0.13 1.03 -1.32 0.00 0.00 178.16 178.24 1cwu h SER 254 N 0.68 0.57 0.37 -2.11 0.87 0.35 -1.30 113.55 112.97 1cwu h SER 254 Ca 0.18 -0.16 -0.02 0.00 -1.23 0.00 0.00 61.79 60.57 1cwu h SER 254 Cb 0.01 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 61.82 1cwu h SER 254 CO -0.03 0.73 -0.18 0.22 -0.53 0.00 0.00 176.83 177.03 1cwu h TYR 255 N 0.54 -0.48 -0.84 2.24 3.20 -0.45 -2.50 116.97 118.68 1cwu h TYR 255 Ca 0.10 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.00 1cwu h TYR 255 Cb 0.54 0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.91 1cwu h TYR 255 CO 0.02 -0.30 0.54 -0.91 -1.64 0.00 0.00 178.16 175.87 1cwu h ASN 256 N -0.51 0.88 -0.21 -2.11 -0.26 -1.13 -3.36 115.58 108.89 1cwu h ASN 256 Ca -0.05 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.69 1cwu h ASN 256 Cb 0.39 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.46 1cwu h ASN 256 CO 0.08 0.59 0.00 0.59 -1.06 0.00 0.00 177.43 177.63 1cwu n ASN 257 N -4.58 2.53 -4.91 5.81 3.02 -0.51 -4.65 115.26 111.98 1cwu n ASN 257 Ca 0.11 -1.77 -0.28 0.00 -0.03 0.00 0.00 54.58 52.61 1cwu n ASN 257 Cb 0.11 -0.14 0.05 0.00 -0.61 0.00 0.00 39.78 39.20 1cwu n ASN 257 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1cwu s ALA 258 N -0.99 3.02 0.07 5.41 0.00 -0.95 -4.70 121.76 123.62 1cwu s ALA 258 Ca 0.20 -0.63 -0.25 0.00 0.00 0.00 0.00 51.96 51.27 1cwu s ALA 258 Cb 0.11 -2.80 -0.17 0.00 0.00 0.00 0.00 23.12 20.27 1cwu s ALA 258 CO 0.16 -1.18 1.62 -1.35 0.00 0.00 0.00 175.76 175.01 1cwu h PRO 259 N -0.58 -0.21 -5.48 0.00 0.11 -1.79 -3.38 132.00 120.67 1cwu h PRO 259 Ca -0.45 0.01 -0.59 0.00 0.11 0.00 0.00 66.00 65.08 1cwu h PRO 259 Cb 1.28 0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.34 1cwu h PRO 259 CO 0.63 -0.07 -0.32 0.96 -0.21 0.00 0.00 178.00 178.99 1cwu s ILE 260 N -5.81 5.30 -0.75 4.15 -4.36 -1.25 -5.03 121.20 113.45 1cwu s ILE 260 Ca -0.14 0.56 -0.20 0.00 -0.26 0.00 0.00 60.65 60.61 1cwu s ILE 260 Cb 0.05 -3.64 0.11 0.00 1.25 0.00 0.00 42.46 40.23 1cwu s ILE 260 CO 0.64 0.38 0.93 -1.58 0.24 0.00 0.00 174.94 175.55 1cwu s GLN 261 N 0.55 3.30 0.28 0.37 0.74 -1.26 -4.93 119.66 118.71 1cwu s GLN 261 Ca 0.17 -1.41 -0.05 0.00 0.05 0.00 0.00 55.36 54.11 1cwu s GLN 261 Cb -0.13 -4.49 0.02 0.00 1.10 0.00 0.00 33.01 29.51 1cwu s GLN 261 CO 0.04 -1.69 0.47 0.36 -0.55 0.00 0.00 175.29 173.92 1cwu n LYS 262 N 6.64 0.67 -2.10 1.67 2.85 -1.26 -5.08 118.16 121.56 1cwu n LYS 262 Ca 0.06 -1.99 -0.27 0.00 -1.05 0.00 0.00 58.31 55.05 1cwu n LYS 262 Cb 0.46 2.11 0.12 0.00 -0.65 0.00 0.00 35.03 37.06 1cwu n LYS 262 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 1cwu s THR 263 N -2.57 2.11 -0.05 0.58 -4.23 -1.26 -4.57 115.64 105.65 1cwu s THR 263 Ca 0.19 -0.17 0.02 0.00 -1.18 0.00 0.00 61.69 60.55 1cwu s THR 263 Cb -0.02 -2.94 0.01 0.00 1.34 0.00 0.00 72.50 70.89 1cwu s THR 263 CO 0.13 0.00 -0.09 -0.22 -0.54 0.00 0.00 174.62 173.90 1cwu s LEU 264 N -5.51 1.60 -0.02 4.79 2.96 -1.26 -5.01 118.68 116.23 1cwu s LEU 264 Ca 0.66 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 54.38 1cwu s LEU 264 Cb -0.08 -0.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.95 1cwu s LEU 264 CO 0.48 0.02 -0.14 0.42 -1.32 0.00 0.00 176.35 175.81 1cwu s THR 265 N 0.59 1.12 0.40 3.68 -4.23 -1.26 -4.91 115.64 111.04 1cwu s THR 265 Ca -0.11 -0.59 0.29 0.00 -1.18 0.00 0.00 61.69 60.10 1cwu s THR 265 Cb -0.14 -0.95 0.45 0.00 1.34 0.00 0.00 72.50 73.20 1cwu s THR 265 CO 0.02 0.32 1.47 0.00 -0.54 0.00 0.00 174.62 175.89 1cwu n ALA 266 N 2.89 1.23 -0.25 3.99 0.00 -1.26 0.16 120.51 127.27 1cwu n ALA 266 Ca -0.15 0.84 0.03 0.00 0.00 0.00 0.00 53.44 54.16 1cwu n ALA 266 Cb 0.55 -0.99 0.12 0.00 0.00 0.00 0.00 19.45 19.12 1cwu n ALA 266 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1cwu h ASP 267 N 0.00 -0.50 -0.45 0.00 -0.00 -1.93 1.14 116.42 114.67 1cwu h ASP 267 Ca 0.82 0.20 -0.10 0.00 -0.00 0.00 0.00 57.03 57.95 1cwu h ASP 267 Cb 2.58 0.39 -0.02 0.00 -0.00 0.00 0.00 39.33 42.28 1cwu h ASP 267 CO -0.49 -0.21 -0.11 -0.33 -0.00 0.00 0.00 179.24 178.11 1cwu h GLU 268 N 0.05 0.92 -0.32 0.28 5.08 0.11 0.48 114.58 121.19 1cwu h GLU 268 Ca 0.38 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.34 1cwu h GLU 268 Cb 0.62 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1cwu h GLU 268 CO -0.70 0.98 -0.06 0.28 -1.00 0.00 0.00 179.01 178.51 1cwu h VAL 269 N 0.83 1.28 -0.95 3.13 2.07 -0.85 -2.97 116.25 118.78 1cwu h VAL 269 Ca 0.13 -1.09 0.10 0.00 0.82 0.00 0.00 66.70 66.67 1cwu h VAL 269 Cb 0.64 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.66 1cwu h VAL 269 CO 0.04 0.35 0.59 1.23 0.02 0.00 0.00 177.57 179.80 1cwu h GLY 270 N 0.38 1.52 0.99 2.17 0.00 0.18 -1.96 103.07 106.36 1cwu h GLY 270 Ca 0.08 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 1cwu h GLY 270 CO 0.03 0.18 -0.23 3.43 0.00 0.00 0.00 176.54 179.95 1cwu h ASN 271 N 0.96 0.79 -0.43 0.19 -0.26 -0.87 -2.82 115.58 113.14 1cwu h ASN 271 Ca 0.46 -0.43 0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1cwu h ASN 271 Cb 0.40 -0.22 -0.02 0.00 -1.06 0.00 0.00 38.32 37.42 1cwu h ASN 271 CO -0.25 1.05 0.29 0.00 -1.06 0.00 0.00 177.43 177.46 1cwu h ALA 272 N 0.76 1.74 -0.02 -0.83 0.00 -1.21 -1.28 119.26 118.42 1cwu h ALA 272 Ca 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1cwu h ALA 272 Cb 0.78 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 1cwu h ALA 272 CO 0.06 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1cwu h ALA 273 N 1.74 0.02 -0.71 0.00 0.00 -1.35 0.14 119.26 119.10 1cwu h ALA 273 Ca 0.17 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.00 1cwu h ALA 273 Cb 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 1cwu h ALA 273 CO -0.04 -0.32 0.38 0.00 0.00 0.00 0.00 179.25 179.27 1cwu h ALA 274 N 0.70 0.98 0.59 0.00 0.00 -1.17 0.43 119.26 120.79 1cwu h ALA 274 Ca 0.00 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1cwu h ALA 274 Cb 0.31 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1cwu h ALA 274 CO 0.00 0.01 -0.28 0.35 0.00 0.00 0.00 179.25 179.32 1cwu h PHE 275 N 0.66 -0.73 -0.36 0.00 3.57 -1.18 -1.90 116.94 116.99 1cwu h PHE 275 Ca 0.34 -0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.93 1cwu h PHE 275 Cb 0.31 0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1cwu h PHE 275 CO -0.09 -0.41 0.29 -0.07 -2.23 0.00 0.00 178.31 175.79 1cwu h LEU 276 N -0.91 0.00 -0.50 0.59 3.38 0.28 0.52 115.31 118.67 1cwu h LEU 276 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1cwu h LEU 276 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1cwu h LEU 276 CO 0.13 0.00 -0.36 1.33 0.09 0.00 0.00 178.44 179.63 1cwu n VAL 277 N -4.23 0.00 -3.01 1.22 0.24 0.14 -4.72 118.33 107.97 1cwu n VAL 277 Ca 0.06 -0.13 -0.25 0.00 -2.04 0.00 0.00 64.34 61.98 1cwu n VAL 277 Cb 0.47 0.56 -0.00 0.00 -1.47 0.00 0.00 33.84 33.40 1cwu n VAL 277 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1cwu s SER 278 N -2.58 6.16 0.57 -1.34 1.04 0.18 -4.70 113.70 113.02 1cwu s SER 278 Ca 0.21 0.58 0.27 0.00 0.48 0.00 0.00 55.95 57.49 1cwu s SER 278 Cb 0.19 -1.99 1.56 0.00 0.10 0.00 0.00 66.02 65.88 1cwu s SER 278 CO 0.57 -0.51 2.05 -0.65 0.98 0.00 0.00 173.24 175.69 1cwu h PRO 279 N 0.46 0.00 -0.89 4.02 0.11 -1.86 -0.94 132.00 132.91 1cwu h PRO 279 Ca -0.48 0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.80 1cwu h PRO 279 Cb 1.22 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 1cwu h PRO 279 CO 0.61 0.00 0.58 -0.07 -0.21 0.00 0.00 178.00 178.90 1cwu h LEU 280 N 0.00 0.55 -2.23 2.35 3.38 -1.93 -0.43 115.31 117.00 1cwu h LEU 280 Ca 0.13 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1cwu h LEU 280 Cb 0.66 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1cwu h LEU 280 CO -0.00 0.26 0.00 0.00 0.09 0.00 0.00 178.44 178.78 1cwu n ALA 281 N -2.46 3.14 0.23 1.53 0.00 -0.36 -4.67 120.51 117.93 1cwu n ALA 281 Ca 0.18 -0.96 0.09 0.00 0.00 0.00 0.00 53.44 52.76 1cwu n ALA 281 Cb 0.56 -1.06 0.51 0.00 0.00 0.00 0.00 19.45 19.46 1cwu n ALA 281 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1cwu h SER 282 N 2.08 0.00 -0.23 0.00 4.64 -1.20 0.20 113.55 119.04 1cwu h SER 282 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1cwu h SER 282 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1cwu h SER 282 CO 0.23 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.19 1cwu n ALA 283 N -1.68 2.41 -3.12 5.18 0.00 -1.26 -4.89 120.51 117.15 1cwu n ALA 283 Ca -0.01 -1.64 -0.38 0.00 0.00 0.00 0.00 53.44 51.41 1cwu n ALA 283 Cb 0.36 -0.45 -0.12 0.00 0.00 0.00 0.00 19.45 19.24 1cwu n ALA 283 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1cwu s ILE 284 N -1.77 4.04 -0.02 0.00 1.01 0.69 -5.09 121.20 120.06 1cwu s ILE 284 Ca 0.26 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.93 1cwu s ILE 284 Cb 0.19 -3.17 0.03 0.00 0.01 0.00 0.00 42.46 39.52 1cwu s ILE 284 CO 0.10 -0.04 0.33 0.28 0.00 0.00 0.00 174.94 175.60 1cwu s THR 285 N 1.49 0.05 -1.00 2.92 -1.32 -1.26 -4.74 115.64 111.77 1cwu s THR 285 Ca 0.01 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.06 1cwu s THR 285 Cb -0.18 -0.62 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1cwu s THR 285 CO 0.03 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.82 1cwu n GLY 286 N 1.34 1.04 3.95 6.08 0.00 0.32 -4.95 105.19 112.97 1cwu n GLY 286 Ca -0.21 -0.59 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 1cwu n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cwu s ALA 287 N -2.36 3.79 -0.48 4.61 0.00 -1.25 -4.48 121.76 121.59 1cwu s ALA 287 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1cwu s ALA 287 Cb 0.00 -2.06 0.15 0.00 0.00 0.00 0.00 23.12 21.20 1cwu s ALA 287 CO 0.00 -0.17 0.29 0.99 0.00 0.00 0.00 175.76 176.87 1cwu s THR 288 N -2.40 1.48 -0.32 0.00 2.01 -1.25 -0.87 115.64 114.29 1cwu s THR 288 Ca 0.44 -2.83 -0.25 0.00 0.31 0.00 0.00 61.69 59.36 1cwu s THR 288 Cb -0.10 -2.02 0.01 0.00 0.01 0.00 0.00 72.50 70.40 1cwu s THR 288 CO 0.36 -0.96 0.88 -0.63 -0.69 0.00 0.00 174.62 173.58 1cwu s ILE 289 N 0.04 4.70 -0.40 1.82 -1.09 -0.70 -4.78 121.20 120.79 1cwu s ILE 289 Ca 0.21 1.32 -0.29 0.00 -2.23 0.00 0.00 60.65 59.66 1cwu s ILE 289 Cb -0.17 -4.24 0.02 0.00 -1.58 0.00 0.00 42.46 36.49 1cwu s ILE 289 CO -0.05 -0.34 1.10 -0.31 -1.23 0.00 0.00 174.94 174.10 1cwu s TYR 290 N 3.19 2.98 -0.84 3.97 2.02 -1.26 -1.19 117.35 126.22 1cwu s TYR 290 Ca 0.36 0.94 0.01 0.00 -0.37 0.00 0.00 57.07 58.01 1cwu s TYR 290 Cb -0.13 -4.05 0.26 0.00 -0.40 0.00 0.00 41.96 37.63 1cwu s TYR 290 CO 0.14 -1.02 0.98 0.28 -1.57 0.00 0.00 175.55 174.37 1cwu n VAL 291 N 6.35 3.45 -1.90 0.71 0.31 -0.77 -4.75 118.33 121.73 1cwu n VAL 291 Ca 0.12 -5.42 0.03 0.00 -0.01 0.00 0.00 64.34 59.06 1cwu n VAL 291 Cb 0.48 -2.16 0.05 0.00 -0.91 0.00 0.00 33.84 31.30 1cwu n VAL 291 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1cwu n ASP 292 N 1.37 0.83 -1.39 4.52 5.75 -1.26 -2.86 116.55 123.51 1cwu n ASP 292 Ca 0.26 -2.38 -0.14 0.00 -0.01 0.00 0.00 54.79 52.53 1cwu n ASP 292 Cb 0.37 -0.30 -0.03 0.00 -1.03 0.00 0.00 41.12 40.14 1cwu n ASP 292 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1cwu n ASN 293 N -0.26 -4.43 -0.16 -1.12 3.02 -1.26 -2.91 115.26 108.14 1cwu n ASN 293 Ca 0.06 0.12 -0.02 0.00 -0.03 0.00 0.00 54.58 54.71 1cwu n ASN 293 Cb 0.79 -3.43 -0.01 0.00 -0.61 0.00 0.00 39.78 36.52 1cwu n ASN 293 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1cwu n GLY 294 N -1.11 0.39 0.31 7.41 0.00 -1.26 -3.60 105.19 107.32 1cwu n GLY 294 Ca -0.16 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.87 1cwu n GLY 294 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1cwu h LEU 295 N 0.00 0.52 -1.05 0.99 5.85 -1.88 -2.20 115.31 117.54 1cwu h LEU 295 Ca -0.04 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1cwu h LEU 295 Cb 0.63 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1cwu h LEU 295 CO 0.06 0.21 0.11 -0.46 -0.34 0.00 0.00 178.44 178.03 1cwu n ASN 296 N -4.88 0.41 0.02 1.25 0.23 -1.26 -1.48 115.26 109.56 1cwu n ASN 296 Ca 0.17 0.65 0.11 0.00 -0.53 0.00 0.00 54.58 54.98 1cwu n ASN 296 Cb 0.44 -0.67 0.04 0.00 -2.08 0.00 0.00 39.78 37.52 1cwu n ASN 296 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1cwu n SER 297 N -2.07 0.63 -4.77 0.53 7.64 -0.83 -4.93 113.62 109.81 1cwu n SER 297 Ca -0.01 -0.24 -0.40 0.00 1.01 0.00 0.00 58.87 59.23 1cwu n SER 297 Cb 0.14 0.74 -0.01 0.00 -1.01 0.00 0.00 64.21 64.07 1cwu n SER 297 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1cwu s MET 298 N -3.17 4.11 0.00 1.43 -1.94 -0.55 -4.94 119.30 114.23 1cwu s MET 298 Ca 0.05 2.29 0.20 0.00 -1.71 0.00 0.00 55.69 56.51 1cwu s MET 298 Cb 0.15 -2.90 -0.21 0.00 2.01 0.00 0.00 34.83 33.88 1cwu s MET 298 CO 0.79 -0.42 0.88 0.41 -0.01 0.00 0.00 175.02 176.67 1cwu n GLY 299 N 0.66 -0.86 3.51 -0.03 0.00 -1.26 -4.97 105.19 102.25 1cwu n GLY 299 Ca 0.02 -0.58 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 1cwu n GLY 299 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cwu s VAL 300 N -2.89 0.00 0.14 1.61 -7.23 -1.26 -5.13 120.40 105.64 1cwu s VAL 300 Ca 0.08 0.00 -0.30 0.00 -1.81 0.00 0.00 61.98 59.95 1cwu s VAL 300 Cb 0.16 -1.00 -0.07 0.00 0.56 0.00 0.00 36.38 36.03 1cwu s VAL 300 CO 0.82 0.00 1.06 0.00 -0.31 0.00 0.00 175.10 176.66 1cwu s ALA 301 N -1.54 3.32 0.24 1.32 0.00 -1.26 -4.91 121.76 118.93 1cwu s ALA 301 Ca -0.09 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.61 1cwu s ALA 301 Cb -0.00 -3.33 0.27 0.00 0.00 0.00 0.00 23.12 20.06 1cwu s ALA 301 CO 0.06 -0.17 1.61 -0.07 0.00 0.00 0.00 175.76 177.19 1cwu h LEU 302 N 5.50 0.45 0.00 0.00 3.38 -1.84 -3.17 115.31 119.64 1cwu h LEU 302 Ca -0.43 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.32 1cwu h LEU 302 Cb 1.21 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1cwu h LEU 302 CO 0.73 0.85 0.00 -0.90 0.09 0.00 0.00 178.44 179.21 1cwu n ASP 303 N -4.00 0.00 -4.77 -0.43 5.68 -1.26 -4.86 116.55 106.92 1cwu n ASP 303 Ca -0.02 -1.34 -0.41 0.00 -0.50 0.00 0.00 54.79 52.52 1cwu n ASP 303 Cb 0.53 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.49 1cwu n ASP 303 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1cwu s SER 304 N -1.40 6.80 0.52 -1.12 0.15 -1.20 -4.92 113.70 112.53 1cwu s SER 304 Ca 0.07 2.66 0.30 0.00 0.70 0.00 0.00 55.95 59.68 1cwu s SER 304 Cb 0.03 -2.65 1.40 0.00 -1.71 0.00 0.00 66.02 63.10 1cwu s SER 304 CO 0.05 -0.52 2.02 -0.65 1.20 0.00 0.00 173.24 175.34 1cwu h PRO 305 N 3.57 0.00 -0.12 5.44 0.11 -1.94 -2.35 132.00 136.71 1cwu h PRO 305 Ca -0.48 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.66 1cwu h PRO 305 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1cwu h PRO 305 CO 0.67 0.11 0.15 -0.39 -0.21 0.00 0.00 178.00 178.32 1cwu h VAL 306 N 0.00 0.42 -0.03 3.15 -1.51 -1.96 -3.56 116.25 112.77 1cwu h VAL 306 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1cwu h VAL 306 Cb 0.45 0.88 0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1cwu h VAL 306 CO 0.01 0.00 0.00 0.49 -1.23 0.00 0.00 177.57 176.84