#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dak n ALA 7 N 0.00 0.00 -1.28 -0.43 0.00 -1.26 -4.84 120.51 112.70 3dak n ALA 7 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3dak n ALA 7 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 3dak n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dak s LEU 8 N 0.00 2.01 0.72 0.00 1.43 -1.26 -5.04 118.68 116.54 3dak s LEU 8 Ca 0.00 1.28 -0.13 0.00 -1.03 0.00 0.00 54.13 54.24 3dak s LEU 8 Cb 0.00 -3.62 0.03 0.00 0.03 0.00 0.00 46.19 42.64 3dak s LEU 8 CO 0.00 -2.74 1.12 -2.16 0.23 0.00 0.00 176.35 172.80 3dak s PRO 9 N -5.02 2.41 0.27 1.29 0.04 -1.26 -5.00 135.00 127.73 3dak s PRO 9 Ca 0.64 1.38 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 3dak s PRO 9 Cb -0.17 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 3dak s PRO 9 CO 0.56 -1.55 1.30 -1.58 0.04 0.00 0.00 177.00 175.77 3dak s TRP 10 N -2.49 3.18 0.26 0.56 0.52 -1.26 -4.98 118.94 114.73 3dak s TRP 10 Ca 0.66 1.34 -0.31 0.00 0.02 0.00 0.00 56.10 57.82 3dak s TRP 10 Cb -0.21 -3.62 -0.11 0.00 -1.15 0.00 0.00 33.47 28.38 3dak s TRP 10 CO 0.48 -1.80 1.61 0.45 0.02 0.00 0.00 176.95 177.70 3dak s SER 11 N -0.16 6.42 0.00 2.95 0.15 -1.26 -4.92 113.70 116.88 3dak s SER 11 Ca 0.52 2.87 0.22 0.00 0.70 0.00 0.00 55.95 60.26 3dak s SER 11 Cb -0.38 -2.62 0.63 0.00 -1.71 0.00 0.00 66.02 61.94 3dak s SER 11 CO 0.45 -0.90 1.52 2.30 1.20 0.00 0.00 173.24 177.82 3dak n ILE 12 N 2.78 0.99 -2.98 6.45 -5.35 -1.26 -4.89 119.36 115.09 3dak n ILE 12 Ca 0.10 -0.99 -0.41 0.00 -0.27 0.00 0.00 62.75 61.17 3dak n ILE 12 Cb 0.37 0.51 -0.05 0.00 -1.74 0.00 0.00 39.64 38.73 3dak n ILE 12 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3dak s ASN 13 N -1.01 6.67 0.37 7.28 3.84 -1.26 -4.93 114.94 125.89 3dak s ASN 13 Ca 0.48 0.74 0.11 0.00 0.21 0.00 0.00 52.86 54.40 3dak s ASN 13 Cb 0.25 -2.39 0.89 0.00 -0.55 0.00 0.00 41.25 39.45 3dak s ASN 13 CO 0.33 -0.52 1.86 -0.09 -2.79 0.00 0.00 177.10 175.88 3dak h ARG 14 N 7.97 0.59 0.00 0.43 1.12 -1.96 -1.88 114.38 120.65 3dak h ARG 14 Ca -0.25 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.59 3dak h ARG 14 Cb 1.10 -0.13 0.00 0.00 -0.01 0.00 0.00 29.97 30.93 3dak h ARG 14 CO 0.85 0.39 0.00 -0.25 -3.11 0.00 0.00 179.97 177.85 3dak n ASP 15 N -4.56 0.00 -0.12 -3.80 8.00 -1.26 -1.78 116.55 113.03 3dak n ASP 15 Ca 0.18 0.00 0.14 0.00 0.71 0.00 0.00 54.79 55.83 3dak n ASP 15 Cb 0.54 -0.29 0.67 0.00 -0.02 0.00 0.00 41.12 42.02 3dak n ASP 15 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3dak n ASP 16 N -1.29 0.44 -4.04 -2.24 8.00 -0.71 -4.79 116.55 111.93 3dak n ASP 16 Ca 0.10 -0.68 -0.31 0.00 0.71 0.00 0.00 54.79 54.60 3dak n ASP 16 Cb 0.16 -0.08 -0.16 0.00 -0.02 0.00 0.00 41.12 41.03 3dak n ASP 16 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3dak s TYR 17 N -2.36 2.53 -0.42 1.24 2.02 -0.73 -3.17 117.35 116.45 3dak s TYR 17 Ca 0.33 -1.60 -0.21 0.00 -0.37 0.00 0.00 57.07 55.22 3dak s TYR 17 Cb 0.20 -1.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.06 3dak s TYR 17 CO 0.44 -0.76 0.65 -2.00 -1.57 0.00 0.00 175.55 172.32 3dak s GLU 18 N 1.36 3.39 0.21 -0.62 2.12 0.38 -4.90 118.70 120.64 3dak s GLU 18 Ca 0.01 -0.25 -0.31 0.00 0.36 0.00 0.00 54.97 54.78 3dak s GLU 18 Cb -0.15 -3.91 -0.10 0.00 0.26 0.00 0.00 34.13 30.22 3dak s GLU 18 CO -0.09 -0.95 1.54 -0.51 -0.54 0.00 0.00 175.26 174.71 3dak s LEU 19 N 2.82 4.37 0.00 2.70 1.43 -1.26 -1.05 118.68 127.69 3dak s LEU 19 Ca 0.23 2.68 0.00 0.00 -1.03 0.00 0.00 54.13 56.02 3dak s LEU 19 Cb -0.14 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3dak s LEU 19 CO 0.18 -0.81 0.00 0.00 0.23 0.00 0.00 176.35 175.96 3dak n GLN 20 N 3.27 1.58 -2.18 1.70 6.02 0.43 -4.94 117.38 123.27 3dak n GLN 20 Ca 0.11 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 3dak n GLN 20 Cb 0.39 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.62 3dak n GLN 20 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3dak s GLU 21 N 4.64 4.36 0.23 -1.09 2.02 -1.26 -4.60 118.70 123.00 3dak s GLU 21 Ca 0.00 2.09 -0.30 0.00 0.02 0.00 0.00 54.97 56.77 3dak s GLU 21 Cb 0.00 -3.20 -0.10 0.00 0.10 0.00 0.00 34.13 30.93 3dak s GLU 21 CO 0.00 -0.32 1.46 0.08 0.02 0.00 0.00 175.26 176.50 3dak s VAL 22 N 0.39 2.67 -0.24 2.63 1.01 -1.26 -0.44 120.40 125.15 3dak s VAL 22 Ca 0.59 0.54 0.02 0.00 0.00 0.00 0.00 61.98 63.13 3dak s VAL 22 Cb -0.37 -3.35 -0.19 0.00 0.00 0.00 0.00 36.38 32.48 3dak s VAL 22 CO 0.36 0.08 -0.13 -0.38 0.00 0.00 0.00 175.10 175.03 3dak n ILE 23 N 2.67 1.53 -3.47 2.22 5.41 0.17 -4.88 119.36 123.01 3dak n ILE 23 Ca 0.08 -0.60 -0.15 0.00 1.00 0.00 0.00 62.75 63.09 3dak n ILE 23 Cb 0.40 -1.42 -0.04 0.00 -0.71 0.00 0.00 39.64 37.87 3dak n ILE 23 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 3dak s GLY 24 N -6.34 -0.60 -0.29 7.39 0.00 -0.84 -5.02 107.32 101.64 3dak s GLY 24 Ca -0.32 0.85 0.02 0.00 0.00 0.00 0.00 44.72 45.27 3dak s GLY 24 CO 0.63 0.50 0.47 -0.45 0.00 0.00 0.00 173.10 174.25 3dak s SER 25 N -2.06 -0.27 0.00 1.64 0.15 -1.26 -1.06 113.70 110.85 3dak s SER 25 Ca -0.04 -0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.51 3dak s SER 25 Cb -0.01 1.42 0.00 0.00 -1.71 0.00 0.00 66.02 65.72 3dak s SER 25 CO -0.03 -0.33 0.00 0.61 1.20 0.00 0.00 173.24 174.69 3dak n GLY 26 N 5.38 2.18 3.05 9.45 0.00 0.08 -4.99 105.19 120.34 3dak n GLY 26 Ca 0.01 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.67 3dak n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dak s ALA 27 N -2.00 2.86 -0.43 4.61 0.00 -1.26 -3.83 121.76 121.71 3dak s ALA 27 Ca 0.00 -2.33 0.02 0.00 0.00 0.00 0.00 51.96 49.65 3dak s ALA 27 Cb 0.00 -1.95 0.14 0.00 0.00 0.00 0.00 23.12 21.31 3dak s ALA 27 CO 0.00 -1.58 0.26 0.95 0.00 0.00 0.00 175.76 175.40 3dak s THR 28 N 1.00 1.01 -0.02 0.00 -4.23 -1.26 -5.02 115.64 107.11 3dak s THR 28 Ca 0.05 -2.46 0.01 0.00 -1.18 0.00 0.00 61.69 58.11 3dak s THR 28 Cb -0.20 -1.71 0.02 0.00 1.34 0.00 0.00 72.50 71.95 3dak s THR 28 CO -0.06 -0.98 -0.02 0.00 -0.54 0.00 0.00 174.62 173.02 3dak s ALA 29 N 0.38 0.36 -0.18 3.99 0.00 -1.25 -3.09 121.76 121.97 3dak s ALA 29 Ca 0.20 0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.21 3dak s ALA 29 Cb -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.68 3dak s ALA 29 CO -0.04 -0.02 -0.15 0.08 0.00 0.00 0.00 175.76 175.64 3dak s VAL 30 N 0.69 2.59 -0.45 0.00 1.01 -0.83 -0.74 120.40 122.68 3dak s VAL 30 Ca -0.07 -0.77 -0.22 0.00 0.00 0.00 0.00 61.98 60.91 3dak s VAL 30 Cb -0.10 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.19 3dak s VAL 30 CO -0.01 0.50 0.72 -0.69 0.00 0.00 0.00 175.10 175.62 3dak s VAL 31 N 1.13 4.74 -0.05 2.92 1.01 -0.22 -0.38 120.40 129.53 3dak s VAL 31 Ca 0.01 0.25 0.05 0.00 0.00 0.00 0.00 61.98 62.29 3dak s VAL 31 Cb -0.14 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 31.96 3dak s VAL 31 CO -0.05 -0.67 -0.22 -1.58 0.00 0.00 0.00 175.10 172.58 3dak s GLN 32 N 3.06 2.26 0.59 2.72 0.74 -0.23 0.44 119.66 129.24 3dak s GLN 32 Ca 0.26 -0.78 -0.19 0.00 0.05 0.00 0.00 55.36 54.70 3dak s GLN 32 Cb -0.13 -1.92 -0.03 0.00 1.10 0.00 0.00 33.01 32.03 3dak s GLN 32 CO 0.21 0.31 1.26 0.00 -0.55 0.00 0.00 175.29 176.52 3dak s ALA 33 N -0.05 2.58 -0.02 1.58 0.00 0.41 -0.01 121.76 126.25 3dak s ALA 33 Ca -0.05 1.12 -0.15 0.00 0.00 0.00 0.00 51.96 52.89 3dak s ALA 33 Cb -0.13 -3.50 0.02 0.00 0.00 0.00 0.00 23.12 19.52 3dak s ALA 33 CO 0.03 -1.29 0.31 0.00 0.00 0.00 0.00 175.76 174.82 3dak s ALA 34 N -1.48 -0.80 -0.22 0.00 0.00 0.43 -0.43 121.76 119.27 3dak s ALA 34 Ca 0.77 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 3dak s ALA 34 Cb -0.34 0.05 -0.05 0.00 0.00 0.00 0.00 23.12 22.78 3dak s ALA 34 CO 0.38 -0.26 0.20 -0.47 0.00 0.00 0.00 175.76 175.61 3dak s TYR 35 N -1.26 3.36 -0.48 0.00 5.04 -0.22 0.26 117.35 124.05 3dak s TYR 35 Ca -0.13 0.34 -0.10 0.00 -2.44 0.00 0.00 57.07 54.74 3dak s TYR 35 Cb -0.05 -2.29 0.12 0.00 0.35 0.00 0.00 41.96 40.09 3dak s TYR 35 CO 0.04 0.12 0.36 0.00 -1.34 0.00 0.00 175.55 174.74 3dak h ALA 37 N 8.52 0.03 -0.99 0.00 0.00 -1.83 -0.01 119.26 124.98 3dak h ALA 37 Ca -0.23 0.08 0.20 0.00 0.00 0.00 0.00 54.91 54.96 3dak h ALA 37 Cb 1.08 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 3dak h ALA 37 CO 0.88 -0.56 0.62 -1.35 0.00 0.00 0.00 179.25 178.84 3dak h PRO 38 N -0.12 0.62 -0.01 0.00 0.11 -1.95 -1.49 132.00 129.16 3dak h PRO 38 Ca 0.12 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3dak h PRO 38 Cb 0.30 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.27 3dak h PRO 38 CO -0.28 0.41 -0.41 1.63 -0.21 0.00 0.00 178.00 179.14 3dak n LYS 39 N -4.69 0.62 -4.02 1.05 4.76 -1.04 -4.99 118.16 109.86 3dak n LYS 39 Ca 0.23 -0.41 -0.31 0.00 -2.87 0.00 0.00 58.31 54.95 3dak n LYS 39 Cb 0.64 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 32.31 3dak n LYS 39 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3dak n LYS 40 N -0.83 -1.91 -3.86 1.97 5.02 -0.05 -4.98 118.16 113.53 3dak n LYS 40 Ca 0.09 0.28 -0.12 0.00 -2.02 0.00 0.00 58.31 56.55 3dak n LYS 40 Cb 0.36 -3.92 -0.14 0.00 -0.02 0.00 0.00 35.03 31.32 3dak n LYS 40 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3dak s GLU 41 N -6.81 0.05 -0.22 1.97 2.12 -1.09 -5.01 118.70 109.71 3dak s GLU 41 Ca 0.15 0.06 -0.18 0.00 0.36 0.00 0.00 54.97 55.36 3dak s GLU 41 Cb -0.07 0.02 -0.03 0.00 0.26 0.00 0.00 34.13 34.31 3dak s GLU 41 CO 0.93 -0.01 0.51 0.21 -0.54 0.00 0.00 175.26 176.36 3dak s LYS 42 N 0.03 4.16 0.37 4.30 2.20 -1.26 -0.99 119.74 128.55 3dak s LYS 42 Ca -0.00 0.37 0.08 0.00 -0.36 0.00 0.00 55.97 56.06 3dak s LYS 42 Cb -0.00 -3.58 -0.07 0.00 -1.51 0.00 0.00 37.83 32.66 3dak s LYS 42 CO 0.00 -0.19 -0.04 0.14 -0.36 0.00 0.00 175.35 174.90 3dak s VAL 43 N 1.78 2.08 -0.18 4.02 -7.23 0.14 -4.31 120.40 116.69 3dak s VAL 43 Ca 0.23 -2.10 -0.08 0.00 -1.81 0.00 0.00 61.98 58.23 3dak s VAL 43 Cb -0.15 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.92 3dak s VAL 43 CO 0.09 -0.10 0.07 0.00 -0.31 0.00 0.00 175.10 174.85 3dak s ALA 44 N -2.69 3.45 -0.19 1.32 0.00 -0.68 -0.43 121.76 122.54 3dak s ALA 44 Ca 0.34 -0.73 -0.03 0.00 0.00 0.00 0.00 51.96 51.53 3dak s ALA 44 Cb 0.06 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3dak s ALA 44 CO 0.17 0.21 -0.05 0.42 0.00 0.00 0.00 175.76 176.51 3dak s ILE 45 N 0.27 3.52 -0.27 0.00 1.01 0.99 -1.37 121.20 125.35 3dak s ILE 45 Ca 0.04 -0.46 -0.18 0.00 0.00 0.00 0.00 60.65 60.04 3dak s ILE 45 Cb -0.12 -2.57 -0.02 0.00 0.01 0.00 0.00 42.46 39.76 3dak s ILE 45 CO 0.00 0.45 0.54 -0.75 0.00 0.00 0.00 174.94 175.18 3dak s LYS 46 N 1.00 4.02 -0.38 2.79 2.20 -0.11 -1.06 119.74 128.20 3dak s LYS 46 Ca 0.00 0.31 -0.08 0.00 -0.36 0.00 0.00 55.97 55.85 3dak s LYS 46 Cb -0.15 -3.67 0.06 0.00 -1.51 0.00 0.00 37.83 32.56 3dak s LYS 46 CO 0.00 -0.40 0.18 1.03 -0.36 0.00 0.00 175.35 175.80 3dak s ARG 47 N 2.37 2.59 -0.28 4.03 0.52 0.48 -0.33 118.95 128.33 3dak s ARG 47 Ca 0.22 -1.33 -0.02 0.00 -0.52 0.00 0.00 55.73 54.08 3dak s ARG 47 Cb -0.15 -3.62 0.04 0.00 0.52 0.00 0.00 34.95 31.73 3dak s ARG 47 CO 0.10 -0.81 -0.01 0.42 0.02 0.00 0.00 175.30 175.01 3dak s ILE 48 N 1.41 3.06 -0.39 1.52 1.01 0.06 -1.97 121.20 125.90 3dak s ILE 48 Ca 0.01 -1.17 -0.29 0.00 0.00 0.00 0.00 60.65 59.21 3dak s ILE 48 Cb -0.21 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.61 3dak s ILE 48 CO 0.02 0.03 1.33 0.21 0.00 0.00 0.00 174.94 176.54 3dak s ASN 49 N 1.31 6.48 0.12 3.58 3.84 -1.18 -0.60 114.94 128.49 3dak s ASN 49 Ca -0.02 0.88 -0.21 0.00 0.21 0.00 0.00 52.86 53.72 3dak s ASN 49 Cb -0.18 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 37.92 3dak s ASN 49 CO -0.02 -1.30 1.72 -0.07 -2.79 0.00 0.00 177.10 174.64 3dak h LEU 50 N 11.65 -0.09 -0.56 3.21 3.38 -1.85 -2.62 115.31 128.42 3dak h LEU 50 Ca -0.26 0.04 0.09 0.00 0.09 0.00 0.00 57.88 57.83 3dak h LEU 50 Cb 1.10 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.81 3dak h LEU 50 CO 1.08 -0.03 -0.42 -0.33 0.09 0.00 0.00 178.44 178.83 3dak h GLU 51 N 0.03 -0.22 0.00 1.13 5.08 -1.80 -2.11 114.58 116.69 3dak h GLU 51 Ca 0.07 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 3dak h GLU 51 Cb 0.10 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3dak h GLU 51 CO -0.14 -0.15 -0.16 0.87 -1.00 0.00 0.00 179.01 178.43 3dak h LYS 52 N -0.23 0.00 -0.12 2.33 1.57 -1.88 -2.68 116.57 115.56 3dak h LYS 52 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3dak h LYS 52 Cb 0.56 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.87 3dak h LYS 52 CO -0.68 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 178.37 3dak n GLN 54 N 0.71 -7.24 -3.61 0.00 3.00 -1.01 -5.00 117.38 104.23 3dak n GLN 54 Ca 0.17 0.81 -0.15 0.00 -0.01 0.00 0.00 57.00 57.82 3dak n GLN 54 Cb 0.45 -5.77 -0.05 0.00 0.00 0.00 0.00 30.24 24.87 3dak n GLN 54 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 3dak n THR 55 N -4.60 0.00 -3.95 5.09 5.66 -0.82 -5.07 114.28 110.60 3dak n THR 55 Ca -0.10 -1.69 -0.09 0.00 -3.05 0.00 0.00 64.05 59.12 3dak n THR 55 Cb 0.60 0.76 -0.04 0.00 -1.55 0.00 0.00 70.33 70.10 3dak n THR 55 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3dak s SER 56 N -2.68 -0.05 0.34 1.09 1.04 -1.26 -4.40 113.70 107.79 3dak s SER 56 Ca 0.23 -0.91 0.14 0.00 0.48 0.00 0.00 55.95 55.89 3dak s SER 56 Cb 0.01 0.66 0.60 0.00 0.10 0.00 0.00 66.02 67.39 3dak s SER 56 CO 0.16 -1.26 1.73 0.24 0.98 0.00 0.00 173.24 175.09 3dak h MET 57 N 2.15 0.00 0.00 4.02 2.86 -1.98 -2.57 114.93 119.41 3dak h MET 57 Ca -0.25 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.29 3dak h MET 57 Cb 1.25 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 3dak h MET 57 CO 0.33 0.46 -0.48 -0.44 1.06 0.00 0.00 176.91 177.84 3dak h ASP 58 N 0.00 0.00 0.76 1.22 3.32 -2.01 -2.66 116.42 117.05 3dak h ASP 58 Ca -0.00 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 3dak h ASP 58 Cb 0.87 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3dak h ASP 58 CO 0.06 0.48 -0.92 -0.08 -1.72 0.00 0.00 179.24 177.06 3dak h GLU 59 N 0.00 0.09 -0.00 3.56 4.57 -1.94 -3.36 114.58 117.50 3dak h GLU 59 Ca -0.00 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 3dak h GLU 59 Cb 0.88 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 3dak h GLU 59 CO 0.06 0.94 -0.74 1.28 -1.18 0.00 0.00 179.01 179.37 3dak n LEU 60 N -3.55 0.83 -0.17 1.64 4.77 -0.98 -4.49 117.00 115.05 3dak n LEU 60 Ca -0.02 -0.29 -0.04 0.00 -0.03 0.00 0.00 56.01 55.63 3dak n LEU 60 Cb 0.85 -0.11 0.06 0.00 -2.33 0.00 0.00 43.42 41.88 3dak n LEU 60 CO 0.47 0.20 1.02 -0.07 -1.33 0.00 0.00 177.39 177.68 3dak h LEU 61 N 0.15 0.35 -0.94 2.23 3.38 -1.62 0.48 115.31 119.34 3dak h LEU 61 Ca 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3dak h LEU 61 Cb 0.51 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3dak h LEU 61 CO 0.00 0.24 0.25 0.11 0.09 0.00 0.00 178.44 179.14 3dak h LYS 62 N 0.49 1.02 -0.47 1.13 1.57 -1.85 0.13 116.57 118.59 3dak h LYS 62 Ca 0.23 -0.18 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 3dak h LYS 62 Cb 0.16 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3dak h LYS 62 CO -0.17 0.85 0.10 0.93 -0.57 0.00 0.00 179.45 180.59 3dak h GLU 63 N 1.00 0.77 -0.35 3.15 4.39 -1.60 0.03 114.58 121.97 3dak h GLU 63 Ca 0.23 -0.19 -0.13 0.00 0.34 0.00 0.00 59.36 59.61 3dak h GLU 63 Cb 0.22 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3dak h GLU 63 CO -0.02 0.76 -0.30 0.82 -1.16 0.00 0.00 179.01 179.12 3dak h ILE 64 N 0.65 1.29 -0.33 3.13 2.04 -0.62 -1.70 117.51 121.97 3dak h ILE 64 Ca 0.15 -1.46 0.04 0.00 1.00 0.00 0.00 64.86 64.59 3dak h ILE 64 Cb 0.35 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3dak h ILE 64 CO 0.00 0.48 0.10 -0.61 0.00 0.00 0.00 178.15 178.12 3dak h GLN 65 N 0.61 0.22 -0.77 2.37 4.15 -0.63 -0.18 115.11 120.88 3dak h GLN 65 Ca 0.06 -0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.55 3dak h GLN 65 Cb 0.87 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 28.45 3dak h GLN 65 CO 0.08 0.15 0.43 0.00 -1.93 0.00 0.00 178.83 177.55 3dak h ALA 66 N 1.22 1.07 -0.23 3.38 0.00 -0.88 -2.72 119.26 121.09 3dak h ALA 66 Ca 0.15 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3dak h ALA 66 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3dak h ALA 66 CO -0.17 0.08 -0.26 0.52 0.00 0.00 0.00 179.25 179.42 3dak h MET 67 N 0.75 0.45 0.00 0.00 2.86 -0.51 -2.13 114.93 116.35 3dak h MET 67 Ca 0.36 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3dak h MET 67 Cb 0.30 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3dak h MET 67 CO -0.23 0.67 -0.11 0.66 1.06 0.00 0.00 176.91 178.96 3dak h SER 68 N 0.40 0.00 0.00 1.22 4.64 -0.76 -3.09 113.55 115.95 3dak h SER 68 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3dak h SER 68 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3dak h SER 68 CO 0.05 0.11 -1.31 0.00 -0.87 0.00 0.00 176.83 174.81 3dak n GLN 69 N -3.46 0.34 -3.59 4.77 6.02 -0.87 -4.90 117.38 115.69 3dak n GLN 69 Ca -0.01 -0.06 -0.40 0.00 -0.01 0.00 0.00 57.00 56.51 3dak n GLN 69 Cb 0.27 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 29.93 3dak n GLN 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3dak s HIS 71 N 1.60 0.05 -0.16 0.00 3.76 -1.26 -4.82 115.29 114.47 3dak s HIS 71 Ca 0.04 0.19 -0.29 0.00 -0.15 0.00 0.00 55.06 54.85 3dak s HIS 71 Cb -0.18 -0.49 0.10 0.00 1.11 0.00 0.00 32.58 33.11 3dak s HIS 71 CO 0.07 -0.26 0.84 -1.58 -0.85 0.00 0.00 174.74 172.96 3dak s HIS 72 N 2.18 -0.56 -0.22 1.40 5.04 -1.26 -5.06 115.29 116.80 3dak s HIS 72 Ca 0.04 1.13 0.25 0.00 -1.54 0.00 0.00 55.06 54.95 3dak s HIS 72 Cb -0.13 0.39 1.21 0.00 0.04 0.00 0.00 32.58 34.09 3dak s HIS 72 CO -0.04 -0.42 1.77 -1.00 -2.34 0.00 0.00 174.74 172.70 3dak h PRO 73 N 3.43 0.00 -0.53 2.88 0.13 -1.99 -2.56 132.00 133.36 3dak h PRO 73 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3dak h PRO 73 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3dak h PRO 73 CO 0.26 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.12 3dak n ASN 74 N -2.40 4.94 -3.98 1.44 5.03 -1.26 -4.70 115.26 114.33 3dak n ASN 74 Ca 0.00 -2.75 -0.25 0.00 0.87 0.00 0.00 54.58 52.45 3dak n ASN 74 Cb 0.15 -0.60 -0.17 0.00 -1.02 0.00 0.00 39.78 38.14 3dak n ASN 74 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3dak s ILE 75 N -2.40 1.08 -0.02 2.41 1.01 -0.96 -0.91 121.20 121.40 3dak s ILE 75 Ca 0.50 -0.40 -0.36 0.00 0.00 0.00 0.00 60.65 60.39 3dak s ILE 75 Cb 0.36 -1.02 -0.14 0.00 0.01 0.00 0.00 42.46 41.67 3dak s ILE 75 CO 0.17 0.35 1.67 0.52 0.00 0.00 0.00 174.94 177.66 3dak n VAL 76 N 4.20 0.26 -1.73 2.92 0.31 -0.64 -4.61 118.33 119.03 3dak n VAL 76 Ca -0.20 -0.05 -0.42 0.00 -0.01 0.00 0.00 64.34 63.67 3dak n VAL 76 Cb 0.51 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 31.93 3dak n VAL 76 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3dak s SER 77 N 2.43 6.46 -0.12 4.52 0.01 -1.26 -4.87 113.70 120.88 3dak s SER 77 Ca 0.88 2.67 -0.25 0.00 1.31 0.00 0.00 55.95 60.57 3dak s SER 77 Cb -0.80 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 62.85 3dak s SER 77 CO 0.49 -1.01 0.78 -0.47 0.41 0.00 0.00 173.24 173.45 3dak s TYR 78 N 3.46 3.50 -0.24 2.43 5.04 -1.26 -1.35 117.35 128.94 3dak s TYR 78 Ca 0.83 1.27 -0.16 0.00 -2.44 0.00 0.00 57.07 56.57 3dak s TYR 78 Cb -0.43 -2.93 -0.12 0.00 0.35 0.00 0.00 41.96 38.82 3dak s TYR 78 CO 0.38 -0.09 -0.20 0.66 -1.34 0.00 0.00 175.55 174.96 3dak n TYR 79 N 4.54 0.33 -3.79 4.97 4.01 0.14 -4.98 117.16 122.38 3dak n TYR 79 Ca 0.02 0.14 -0.01 0.00 -0.16 0.00 0.00 57.90 57.89 3dak n TYR 79 Cb 0.50 -0.94 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 3dak n TYR 79 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3dak s THR 80 N -2.51 0.00 -0.02 -0.72 -1.32 -1.09 -4.72 115.64 105.25 3dak s THR 80 Ca -0.33 -0.44 -0.16 0.00 -1.21 0.00 0.00 61.69 59.54 3dak s THR 80 Cb 0.10 -2.39 0.03 0.00 -1.51 0.00 0.00 72.50 68.73 3dak s THR 80 CO 0.49 0.00 0.34 -0.94 -2.21 0.00 0.00 174.62 172.30 3dak s SER 81 N -3.21 -0.24 0.10 8.08 1.04 -1.26 -0.16 113.70 118.05 3dak s SER 81 Ca 0.18 0.15 -0.24 0.00 0.48 0.00 0.00 55.95 56.52 3dak s SER 81 Cb 0.00 0.34 0.06 0.00 0.10 0.00 0.00 66.02 66.53 3dak s SER 81 CO 0.01 -0.46 0.59 0.72 0.98 0.00 0.00 173.24 175.08 3dak s PHE 82 N -1.29 -0.52 -0.07 5.02 -0.71 -0.71 -4.99 117.98 114.72 3dak s PHE 82 Ca -0.13 0.48 -0.23 0.00 -1.04 0.00 0.00 56.93 56.01 3dak s PHE 82 Cb -0.05 0.47 -0.04 0.00 -1.21 0.00 0.00 43.02 42.20 3dak s PHE 82 CO 0.05 -0.76 0.70 0.08 -1.34 0.00 0.00 175.22 173.95 3dak s VAL 83 N -3.01 5.05 -0.34 -2.49 1.01 -1.26 -0.44 120.40 118.91 3dak s VAL 83 Ca -0.02 1.43 0.02 0.00 0.00 0.00 0.00 61.98 63.41 3dak s VAL 83 Cb -0.01 -4.04 0.09 0.00 0.00 0.00 0.00 36.38 32.43 3dak s VAL 83 CO -0.06 0.25 0.06 -0.69 0.00 0.00 0.00 175.10 174.65 3dak s VAL 84 N 0.84 2.53 0.00 2.92 1.01 0.10 -4.95 120.40 122.84 3dak s VAL 84 Ca 0.37 -2.14 0.00 0.00 0.00 0.00 0.00 61.98 60.21 3dak s VAL 84 Cb -0.18 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3dak s VAL 84 CO 0.18 -0.52 0.00 0.29 0.00 0.00 0.00 175.10 175.05 3dak n LYS 85 N 4.37 0.00 -0.91 2.72 5.02 -1.26 -1.24 118.16 126.86 3dak n LYS 85 Ca -0.01 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.35 3dak n LYS 85 Cb 0.42 0.00 0.40 0.00 -0.02 0.00 0.00 35.03 35.83 3dak n LYS 85 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3dak n ASP 86 N 9.89 5.70 -4.25 4.39 5.68 -1.26 -4.91 116.55 131.78 3dak n ASP 86 Ca 0.00 -2.96 -0.29 0.00 -0.50 0.00 0.00 54.79 51.04 3dak n ASP 86 Cb 0.00 -0.69 -0.16 0.00 -1.14 0.00 0.00 41.12 39.13 3dak n ASP 86 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 3dak s GLU 87 N -2.79 1.95 -0.10 0.11 2.02 -0.38 -2.88 118.70 116.63 3dak s GLU 87 Ca 0.55 -0.82 -0.22 0.00 0.02 0.00 0.00 54.97 54.50 3dak s GLU 87 Cb 0.42 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.78 3dak s GLU 87 CO 0.16 0.47 0.64 -1.17 0.02 0.00 0.00 175.26 175.38 3dak s LEU 88 N -0.46 4.28 -0.19 1.80 2.96 0.23 0.00 118.68 127.30 3dak s LEU 88 Ca 0.07 1.05 -0.05 0.00 -0.22 0.00 0.00 54.13 54.98 3dak s LEU 88 Cb -0.10 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.59 3dak s LEU 88 CO -0.00 -0.12 -0.00 0.26 -1.32 0.00 0.00 176.35 175.17 3dak s TRP 89 N 0.95 3.06 -0.27 5.38 0.52 0.41 -0.76 118.94 128.22 3dak s TRP 89 Ca 0.34 -0.34 -0.05 0.00 0.02 0.00 0.00 56.10 56.07 3dak s TRP 89 Cb -0.17 -2.05 0.01 0.00 -1.15 0.00 0.00 33.47 30.12 3dak s TRP 89 CO 0.15 -0.13 0.03 -0.51 0.02 0.00 0.00 176.95 176.51 3dak s LEU 90 N 0.74 3.58 -0.32 2.99 1.43 0.55 -1.73 118.68 125.91 3dak s LEU 90 Ca 0.00 -0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 52.22 3dak s LEU 90 Cb -0.14 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3dak s LEU 90 CO 0.02 -0.16 0.42 -0.69 0.23 0.00 0.00 176.35 176.17 3dak s VAL 91 N 1.45 5.12 0.28 -1.59 1.01 0.77 -0.94 120.40 126.51 3dak s VAL 91 Ca 0.02 0.33 0.02 0.00 0.00 0.00 0.00 61.98 62.35 3dak s VAL 91 Cb -0.17 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3dak s VAL 91 CO 0.00 -0.05 0.10 0.00 0.00 0.00 0.00 175.10 175.15 3dak s MET 92 N 2.16 1.50 0.31 2.72 0.23 -0.47 0.25 119.30 125.99 3dak s MET 92 Ca 0.15 -1.83 -0.29 0.00 -1.03 0.00 0.00 55.69 52.69 3dak s MET 92 Cb -0.16 -0.37 -0.10 0.00 -1.53 0.00 0.00 34.83 32.67 3dak s MET 92 CO 0.11 -0.30 1.35 0.21 -2.03 0.00 0.00 175.02 174.36 3dak s LYS 93 N -3.97 4.32 -0.27 3.16 2.20 -0.45 -1.69 119.74 123.05 3dak s LYS 93 Ca 0.37 2.25 -0.24 0.00 -0.36 0.00 0.00 55.97 57.99 3dak s LYS 93 Cb 0.07 -3.08 -0.00 0.00 -1.51 0.00 0.00 37.83 33.31 3dak s LYS 93 CO 0.15 -0.26 0.80 -1.17 -0.36 0.00 0.00 175.35 174.51 3dak s LEU 94 N -1.44 4.08 -0.28 5.43 2.96 -1.26 -4.48 118.68 123.69 3dak s LEU 94 Ca 0.52 0.88 -0.12 0.00 -0.22 0.00 0.00 54.13 55.19 3dak s LEU 94 Cb -0.40 -3.13 -0.05 0.00 0.50 0.00 0.00 46.19 43.11 3dak s LEU 94 CO 0.51 -0.54 0.23 -0.76 -1.32 0.00 0.00 176.35 174.47 3dak s LEU 95 N 2.86 4.04 0.00 -0.68 2.01 -1.26 -4.96 118.68 120.69 3dak s LEU 95 Ca 0.33 0.05 0.25 0.00 0.01 0.00 0.00 54.13 54.77 3dak s LEU 95 Cb -0.15 -2.19 0.53 0.00 0.01 0.00 0.00 46.19 44.39 3dak s LEU 95 CO 0.09 -0.09 1.42 -1.54 1.01 0.00 0.00 176.35 177.25 3dak n SER 96 N 5.13 0.85 -0.08 2.29 3.41 -1.25 -4.35 113.62 119.62 3dak n SER 96 Ca -0.13 -0.66 0.08 0.00 -0.26 0.00 0.00 58.87 57.90 3dak n SER 96 Cb 0.52 0.27 0.43 0.00 -0.26 0.00 0.00 64.21 65.16 3dak n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dak n GLY 97 N 1.43 -0.82 6.14 5.00 0.00 0.84 -4.91 105.19 112.86 3dak n GLY 97 Ca 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.98 3dak n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dak n GLY 98 N 0.78 -1.61 3.95 -0.02 0.00 -1.26 -4.57 105.19 102.46 3dak n GLY 98 Ca 0.12 -1.23 -0.19 0.00 0.00 0.00 0.00 46.02 44.71 3dak n GLY 98 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dak s SER 99 N -4.07 5.58 0.36 1.61 1.04 -1.26 -1.11 113.70 115.84 3dak s SER 99 Ca 0.00 -0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.05 3dak s SER 99 Cb 0.00 -0.89 0.68 0.00 0.10 0.00 0.00 66.02 65.91 3dak s SER 99 CO 0.00 -0.55 2.00 0.58 0.98 0.00 0.00 173.24 176.24 3dak h VAL 100 N 0.91 1.11 -0.15 5.02 2.07 -0.65 -3.10 116.25 121.46 3dak h VAL 100 Ca -0.43 -0.28 0.03 0.00 0.82 0.00 0.00 66.70 66.84 3dak h VAL 100 Cb 1.26 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3dak h VAL 100 CO 0.52 0.15 -0.05 0.25 0.02 0.00 0.00 177.57 178.46 3dak h LEU 101 N 0.81 -0.17 -0.88 2.57 6.46 -1.81 -1.05 115.31 121.23 3dak h LEU 101 Ca 0.25 0.05 0.22 0.00 -0.12 0.00 0.00 57.88 58.29 3dak h LEU 101 Cb 0.02 0.11 -0.13 0.00 -0.73 0.00 0.00 40.66 39.93 3dak h LEU 101 CO -0.07 -0.07 0.33 0.44 -0.62 0.00 0.00 178.44 178.46 3dak h ASP 102 N -0.02 0.20 -0.26 1.25 3.32 -1.89 0.11 116.42 119.13 3dak h ASP 102 Ca 0.08 0.17 -0.10 0.00 0.02 0.00 0.00 57.03 57.19 3dak h ASP 102 Cb 0.13 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3dak h ASP 102 CO -0.17 -0.06 -0.19 0.40 -1.72 0.00 0.00 179.24 177.50 3dak h ILE 103 N 0.32 1.26 -0.03 0.35 2.04 -1.28 -1.94 117.51 118.24 3dak h ILE 103 Ca 0.55 -1.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.15 3dak h ILE 103 Cb 1.07 1.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3dak h ILE 103 CO -0.57 0.42 0.01 0.40 0.00 0.00 0.00 178.15 178.41 3dak h ILE 104 N 0.63 1.12 -0.85 -0.67 2.04 -0.54 -1.65 117.51 117.61 3dak h ILE 104 Ca 0.10 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3dak h ILE 104 Cb 0.67 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 3dak h ILE 104 CO 0.05 0.10 0.52 0.11 0.00 0.00 0.00 178.15 178.93 3dak h LYS 105 N -0.10 1.14 -0.09 2.37 1.57 -0.66 -1.86 116.57 118.94 3dak h LYS 105 Ca 0.01 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 3dak h LYS 105 Cb 0.15 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.21 3dak h LYS 105 CO -0.00 0.78 0.02 1.25 -0.57 0.00 0.00 179.45 180.93 3dak h HIS 106 N 1.16 0.15 -0.45 -1.35 2.76 -1.27 -0.73 115.15 115.42 3dak h HIS 106 Ca 0.31 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 3dak h HIS 106 Cb -0.07 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.82 3dak h HIS 106 CO 0.00 0.33 0.29 0.82 -1.30 0.00 0.00 177.93 178.07 3dak h ILE 107 N -0.08 1.13 -0.56 6.26 2.04 -0.81 -2.14 117.51 123.35 3dak h ILE 107 Ca 0.03 -0.27 0.01 0.00 1.00 0.00 0.00 64.86 65.64 3dak h ILE 107 Cb 0.26 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3dak h ILE 107 CO 0.00 0.13 0.36 0.58 0.00 0.00 0.00 178.15 179.21 3dak h VAL 108 N 0.60 1.11 0.00 1.67 2.07 -1.38 -0.97 116.25 119.35 3dak h VAL 108 Ca 0.16 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 3dak h VAL 108 Cb -0.04 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3dak h VAL 108 CO -0.03 0.13 -0.29 0.00 0.02 0.00 0.00 177.57 177.40 3dak h ALA 109 N 1.22 1.12 -0.03 1.67 0.00 -0.85 -1.62 119.26 120.78 3dak h ALA 109 Ca 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3dak h ALA 109 Cb -0.04 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3dak h ALA 109 CO -0.07 0.36 0.00 1.63 0.00 0.00 0.00 179.25 181.17 3dak n LYS 110 N -3.61 1.32 -1.65 0.00 5.02 -0.83 -4.93 118.16 113.48 3dak n LYS 110 Ca -0.01 -0.48 -0.18 0.00 -2.02 0.00 0.00 58.31 55.62 3dak n LYS 110 Cb 0.42 -1.44 -0.07 0.00 -0.02 0.00 0.00 35.03 33.92 3dak n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dak n GLY 111 N 1.04 1.48 0.51 0.72 0.00 -0.61 -4.89 105.19 103.44 3dak n GLY 111 Ca 0.19 -0.13 0.02 0.00 0.00 0.00 0.00 46.02 46.10 3dak n GLY 111 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dak n GLU 112 N -2.51 1.55 -0.23 1.61 1.02 -0.38 -4.19 120.64 117.51 3dak n GLU 112 Ca -0.19 -0.58 0.10 0.00 -0.02 0.00 0.00 57.16 56.47 3dak n GLU 112 Cb 0.61 -1.37 0.22 0.00 -0.02 0.00 0.00 31.44 30.88 3dak n GLU 112 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 3dak n HIS 113 N 0.02 0.60 -1.76 -0.32 1.44 -1.26 -4.78 115.22 109.16 3dak n HIS 113 Ca 0.05 -0.37 -0.38 0.00 -2.01 0.00 0.00 57.72 55.01 3dak n HIS 113 Cb 0.27 -0.01 0.05 0.00 0.12 0.00 0.00 29.99 30.43 3dak n HIS 113 CO 0.00 0.00 0.00 0.15 -2.81 0.00 0.00 176.34 173.68 3dak s LYS 114 N -1.16 2.84 0.00 -1.40 1.02 -1.26 -1.44 119.74 118.34 3dak s LYS 114 Ca 0.36 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.50 3dak s LYS 114 Cb 0.20 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.47 3dak s LYS 114 CO 0.27 -1.40 0.00 0.45 -0.92 0.00 0.00 175.35 173.75 3dak n SER 115 N -1.48 -2.53 0.00 2.83 2.88 -1.23 -4.82 113.62 109.27 3dak n SER 115 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 3dak n SER 115 Cb 0.47 -2.81 0.00 0.00 -0.75 0.00 0.00 64.21 61.11 3dak n SER 115 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dak n GLY 116 N -0.78 3.32 0.00 0.46 0.00 -0.52 -3.27 105.19 104.40 3dak n GLY 116 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3dak n GLY 116 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3dak n VAL 117 N -1.03 0.00 -4.02 1.61 0.31 0.20 -4.33 118.33 111.08 3dak n VAL 117 Ca 0.00 0.30 -0.34 0.00 -0.01 0.00 0.00 64.34 64.29 3dak n VAL 117 Cb 0.00 -1.04 -0.06 0.00 -0.91 0.00 0.00 33.84 31.83 3dak n VAL 117 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3dak s LEU 118 N -3.28 4.11 0.73 7.52 1.43 -0.94 -4.92 118.68 123.33 3dak s LEU 118 Ca 0.00 0.26 -0.11 0.00 -1.03 0.00 0.00 54.13 53.25 3dak s LEU 118 Cb 0.00 -2.35 0.03 0.00 0.03 0.00 0.00 46.19 43.90 3dak s LEU 118 CO 0.00 0.29 1.07 1.51 0.23 0.00 0.00 176.35 179.45 3dak s ASP 119 N -1.68 5.10 0.52 2.29 -4.77 -1.26 -4.74 116.67 112.12 3dak s ASP 119 Ca 0.23 1.46 0.27 0.00 -3.30 0.00 0.00 52.55 51.21 3dak s ASP 119 Cb -0.12 -2.28 1.39 0.00 -1.09 0.00 0.00 42.92 40.81 3dak s ASP 119 CO 0.14 -1.60 1.93 -0.33 0.70 0.00 0.00 175.17 176.01 3dak h GLU 120 N -0.83 0.06 0.00 2.11 5.08 -1.99 -2.53 114.58 116.48 3dak h GLU 120 Ca -0.45 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.71 3dak h GLU 120 Cb 1.23 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 3dak h GLU 120 CO 0.58 0.04 -1.14 0.66 -1.00 0.00 0.00 179.01 178.16 3dak h SER 121 N 0.06 0.00 0.58 1.42 4.64 -1.91 -2.13 113.55 116.22 3dak h SER 121 Ca 0.36 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.53 3dak h SER 121 Cb 1.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.42 3dak h SER 121 CO -0.03 0.81 -0.67 0.00 -0.87 0.00 0.00 176.83 176.06 3dak h THR 122 N 0.00 1.46 -0.03 2.95 1.03 -1.79 -2.00 112.91 114.53 3dak h THR 122 Ca -0.10 -2.25 -0.06 0.00 -0.01 0.00 0.00 66.41 63.98 3dak h THR 122 Cb 1.71 2.20 0.00 0.00 -1.07 0.00 0.00 68.15 70.99 3dak h THR 122 CO 0.09 0.65 -0.22 0.40 -0.01 0.00 0.00 175.52 176.42 3dak h ILE 123 N 0.05 1.48 -0.55 0.00 2.04 -1.46 -0.73 117.51 118.35 3dak h ILE 123 Ca -0.01 -1.74 0.11 0.00 1.00 0.00 0.00 64.86 64.22 3dak h ILE 123 Cb 1.20 2.51 -0.09 0.00 -0.74 0.00 0.00 36.82 39.70 3dak h ILE 123 CO 0.09 0.48 -0.02 0.00 0.00 0.00 0.00 178.15 178.70 3dak h ALA 124 N 0.36 0.50 0.28 1.87 0.00 -1.43 -0.59 119.26 120.24 3dak h ALA 124 Ca -0.02 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3dak h ALA 124 Cb 0.90 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3dak h ALA 124 CO 0.05 -0.40 -0.13 1.15 0.00 0.00 0.00 179.25 179.91 3dak h THR 125 N 0.09 0.75 -0.39 0.00 2.02 -1.25 -0.02 112.91 114.10 3dak h THR 125 Ca 0.28 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 3dak h THR 125 Cb 0.43 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3dak h THR 125 CO -0.48 0.03 0.11 0.40 0.37 0.00 0.00 175.52 175.95 3dak h ILE 126 N -0.46 1.22 0.00 3.11 2.04 -1.04 -3.15 117.51 119.24 3dak h ILE 126 Ca -0.04 -0.75 -0.14 0.00 1.00 0.00 0.00 64.86 64.93 3dak h ILE 126 Cb 0.35 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3dak h ILE 126 CO 0.06 0.26 -0.67 -0.07 0.00 0.00 0.00 178.15 177.73 3dak h LEU 127 N 0.49 0.00 -0.51 1.44 3.38 -1.13 -2.31 115.31 116.67 3dak h LEU 127 Ca 0.12 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.18 3dak h LEU 127 Cb 0.29 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3dak h LEU 127 CO -0.00 0.67 0.13 -0.09 0.09 0.00 0.00 178.44 179.24 3dak h ARG 128 N 0.00 0.27 -0.50 1.13 2.43 -1.04 0.28 114.38 116.96 3dak h ARG 128 Ca -0.01 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 3dak h ARG 128 Cb 1.42 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.89 3dak h ARG 128 CO 0.09 0.18 0.01 0.93 -1.51 0.00 0.00 179.97 179.66 3dak h GLU 129 N 0.28 0.82 -0.69 0.20 4.39 -1.47 -1.98 114.58 116.14 3dak h GLU 129 Ca 0.25 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.68 3dak h GLU 129 Cb 0.32 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.84 3dak h GLU 129 CO -0.30 0.82 0.24 0.28 -1.16 0.00 0.00 179.01 178.89 3dak h VAL 130 N 0.77 1.25 -0.23 3.13 2.07 -1.08 -2.52 116.25 119.65 3dak h VAL 130 Ca 0.15 -0.84 -0.07 0.00 0.82 0.00 0.00 66.70 66.76 3dak h VAL 130 Cb 0.46 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 3dak h VAL 130 CO 0.02 0.33 -0.18 -0.07 0.02 0.00 0.00 177.57 177.69 3dak h LEU 131 N 1.00 0.38 -0.30 2.57 3.38 -0.71 -0.88 115.31 120.75 3dak h LEU 131 Ca 0.23 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3dak h LEU 131 Cb 0.26 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dak h LEU 131 CO -0.01 0.59 -0.04 -0.33 0.09 0.00 0.00 178.44 178.73 3dak h GLU 132 N 0.36 0.55 -0.52 1.13 4.39 -1.26 -0.22 114.58 119.01 3dak h GLU 132 Ca 0.06 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 3dak h GLU 132 Cb 0.53 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 3dak h GLU 132 CO 0.03 0.73 0.30 0.78 -1.16 0.00 0.00 179.01 179.69 3dak h GLY 133 N 0.33 0.77 1.01 -3.84 0.00 -1.22 -2.54 103.07 97.58 3dak h GLY 133 Ca 0.08 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 3dak h GLY 133 CO 0.02 0.33 -0.02 1.41 0.00 0.00 0.00 176.54 178.28 3dak h LEU 134 N 0.70 0.87 -0.89 3.11 3.38 -1.13 -2.00 115.31 119.35 3dak h LEU 134 Ca 0.19 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.87 3dak h LEU 134 Cb 0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 3dak h LEU 134 CO -0.03 0.98 0.58 -0.08 0.09 0.00 0.00 178.44 179.97 3dak h GLU 135 N 0.73 1.10 0.00 1.13 4.57 -1.00 0.28 114.58 121.39 3dak h GLU 135 Ca 0.14 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.25 3dak h GLU 135 Cb 0.55 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 3dak h GLU 135 CO 0.03 0.73 -0.00 -0.92 -1.18 0.00 0.00 179.01 177.67 3dak h TYR 136 N 1.13 -0.00 -0.98 0.92 3.20 -1.32 -1.20 116.97 118.72 3dak h TYR 136 Ca 0.35 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.28 3dak h TYR 136 Cb -0.02 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 3dak h TYR 136 CO -0.02 0.10 0.64 -0.07 -1.64 0.00 0.00 178.16 177.18 3dak h LEU 137 N -0.11 1.03 -0.17 2.82 3.38 -0.91 -2.37 115.31 118.97 3dak h LEU 137 Ca -0.00 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3dak h LEU 137 Cb 0.11 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3dak h LEU 137 CO 0.00 0.67 -0.19 0.45 0.09 0.00 0.00 178.44 179.46 3dak h HIS 138 N 1.17 0.52 -0.91 1.13 3.86 -0.83 0.12 115.15 120.21 3dak h HIS 138 Ca 0.42 -0.16 0.19 0.00 -1.16 0.00 0.00 60.37 59.66 3dak h HIS 138 Cb 0.13 -0.11 -0.11 0.00 1.06 0.00 0.00 27.41 28.38 3dak h HIS 138 CO -0.01 0.81 0.47 0.87 0.86 0.00 0.00 177.93 180.93 3dak h LYS 139 N 0.08 0.55 -0.01 2.45 1.57 -1.19 0.04 116.57 120.06 3dak h LYS 139 Ca 0.03 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dak h LYS 139 Cb 0.73 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3dak h LYS 139 CO 0.05 0.36 0.00 0.09 -0.57 0.00 0.00 179.45 179.38 3dak n ASN 140 N -4.91 0.01 -1.02 0.86 3.02 -0.90 -4.87 115.26 107.45 3dak n ASN 140 Ca 0.21 -1.51 -0.10 0.00 -0.03 0.00 0.00 54.58 53.14 3dak n ASN 140 Cb 0.56 -0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.71 3dak n ASN 140 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dak n GLY 141 N 0.26 0.49 3.69 7.41 0.00 0.00 -5.02 105.19 112.03 3dak n GLY 141 Ca 0.00 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 3dak n GLY 141 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dak s GLN 142 N -3.79 2.28 -0.02 1.61 -1.52 0.39 -5.01 119.66 113.60 3dak s GLN 142 Ca 0.00 -1.60 0.03 0.00 -1.95 0.00 0.00 55.36 51.84 3dak s GLN 142 Cb 0.00 -2.10 0.00 0.00 -0.22 0.00 0.00 33.01 30.69 3dak s GLN 142 CO 0.00 0.14 -0.09 0.42 -0.25 0.00 0.00 175.29 175.51 3dak s ILE 143 N -2.45 0.79 -0.07 1.08 1.01 -1.26 -3.80 121.20 116.50 3dak s ILE 143 Ca 0.36 -0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.39 3dak s ILE 143 Cb -0.02 -0.70 -0.26 0.00 0.01 0.00 0.00 42.46 41.49 3dak s ILE 143 CO 0.21 0.24 0.93 -0.74 0.00 0.00 0.00 174.94 175.59 3dak h HIS 144 N 6.30 0.31 0.00 3.97 -0.00 -1.95 -3.45 115.15 120.32 3dak h HIS 144 Ca -0.33 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 59.85 3dak h HIS 144 Cb 1.17 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.56 3dak h HIS 144 CO 0.43 1.08 0.00 0.54 -0.00 0.00 0.00 177.93 179.99 3dak n ARG 145 N -4.40 0.00 -2.62 5.26 1.74 -1.26 -4.68 116.66 110.70 3dak n ARG 145 Ca -0.11 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.86 3dak n ARG 145 Cb 0.61 -0.47 0.03 0.00 -1.02 0.00 0.00 32.46 31.60 3dak n ARG 145 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dak n ASP 146 N 0.33 2.27 -4.67 0.55 2.03 -1.26 -4.94 116.55 110.86 3dak n ASP 146 Ca 0.00 -2.80 -0.42 0.00 0.52 0.00 0.00 54.79 52.09 3dak n ASP 146 Cb 0.00 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.88 3dak n ASP 146 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3dak s VAL 147 N -3.79 3.88 -0.02 5.18 1.01 -1.26 -4.80 120.40 120.60 3dak s VAL 147 Ca 0.32 1.14 -0.29 0.00 0.00 0.00 0.00 61.98 63.15 3dak s VAL 147 Cb 0.41 -3.73 0.10 0.00 0.00 0.00 0.00 36.38 33.16 3dak s VAL 147 CO -0.02 -0.07 0.88 -1.59 0.00 0.00 0.00 175.10 174.31 3dak s LYS 148 N 3.27 0.82 0.31 2.72 -2.85 -1.26 -4.63 119.74 118.12 3dak s LYS 148 Ca 0.64 -0.23 0.07 0.00 -1.00 0.00 0.00 55.97 55.44 3dak s LYS 148 Cb -0.29 0.38 0.78 0.00 -2.06 0.00 0.00 37.83 36.65 3dak s LYS 148 CO 0.23 -0.35 1.76 0.00 0.10 0.00 0.00 175.35 177.10 3dak h ALA 149 N 2.10 1.71 0.00 0.59 0.00 -1.94 -1.68 119.26 120.05 3dak h ALA 149 Ca -0.22 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3dak h ALA 149 Cb 1.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3dak h ALA 149 CO 0.31 -0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.87 3dak n GLY 150 N -1.33 -0.90 0.86 0.00 0.00 -1.26 -1.91 105.19 100.66 3dak n GLY 150 Ca 0.24 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.39 3dak n GLY 150 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dak n ASN 151 N -1.81 3.76 -4.16 1.61 3.02 -0.63 -4.87 115.26 112.18 3dak n ASN 151 Ca 0.01 -2.87 -0.35 0.00 -0.03 0.00 0.00 54.58 51.34 3dak n ASN 151 Cb 0.11 -0.50 -0.13 0.00 -0.61 0.00 0.00 39.78 38.65 3dak n ASN 151 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3dak s ILE 152 N -2.56 3.10 0.06 2.41 1.01 -0.80 -0.31 121.20 124.11 3dak s ILE 152 Ca 0.40 -1.60 0.01 0.00 0.00 0.00 0.00 60.65 59.46 3dak s ILE 152 Cb 0.31 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 3dak s ILE 152 CO 0.10 -0.30 0.15 -0.76 0.00 0.00 0.00 174.94 174.12 3dak s LEU 153 N 1.22 4.11 -0.14 2.97 1.43 0.21 -0.30 118.68 128.17 3dak s LEU 153 Ca -0.00 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3dak s LEU 153 Cb -0.21 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.30 3dak s LEU 153 CO -0.02 0.18 -0.11 -0.76 0.23 0.00 0.00 176.35 175.87 3dak s LEU 154 N -2.37 2.79 0.58 1.79 1.43 -0.27 -1.52 118.68 121.10 3dak s LEU 154 Ca 0.31 -0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.02 3dak s LEU 154 Cb -0.13 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3dak s LEU 154 CO 0.24 0.15 0.94 -0.83 0.23 0.00 0.00 176.35 177.08 3dak s GLY 155 N 0.42 1.59 0.55 -3.19 0.00 0.18 -0.12 107.32 106.77 3dak s GLY 155 Ca -0.09 -0.34 0.30 0.00 0.00 0.00 0.00 44.72 44.59 3dak s GLY 155 CO 0.05 -0.09 2.14 -2.09 0.00 0.00 0.00 173.10 173.10 3dak h GLU 156 N -0.16 0.00 -0.00 2.90 4.81 -1.91 -2.24 114.58 117.99 3dak h GLU 156 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3dak h GLU 156 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3dak h GLU 156 CO 0.62 0.07 0.00 -0.40 -0.73 0.00 0.00 179.01 178.57 3dak n ASP 157 N -3.57 0.01 0.00 1.04 5.75 -1.26 -4.88 116.55 113.65 3dak n ASP 157 Ca -0.02 -1.65 0.00 0.00 -0.01 0.00 0.00 54.79 53.11 3dak n ASP 157 Cb 0.19 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 3dak n ASP 157 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dak n GLY 158 N 0.68 0.60 3.80 6.12 0.00 -0.84 -5.04 105.19 110.51 3dak n GLY 158 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 3dak n GLY 158 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dak s SER 159 N -2.28 6.40 -0.17 1.61 1.04 -1.26 -4.83 113.70 114.21 3dak s SER 159 Ca 0.00 1.90 -0.01 0.00 0.48 0.00 0.00 55.95 58.33 3dak s SER 159 Cb 0.00 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.56 3dak s SER 159 CO 0.00 -0.74 -0.13 -0.69 0.98 0.00 0.00 173.24 172.66 3dak s VAL 160 N -2.01 2.76 -0.03 5.02 1.01 -1.26 -0.64 120.40 125.24 3dak s VAL 160 Ca 0.67 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3dak s VAL 160 Cb -0.15 -2.19 0.02 0.00 0.00 0.00 0.00 36.38 34.05 3dak s VAL 160 CO 0.19 0.50 -0.05 -1.10 0.00 0.00 0.00 175.10 174.64 3dak s GLN 161 N 0.99 0.79 0.03 2.72 -0.21 -0.58 -4.42 119.66 118.99 3dak s GLN 161 Ca -0.02 -0.15 -0.28 0.00 0.02 0.00 0.00 55.36 54.94 3dak s GLN 161 Cb -0.15 -0.78 -0.04 0.00 1.00 0.00 0.00 33.01 33.04 3dak s GLN 161 CO -0.02 -0.02 0.88 0.42 -2.12 0.00 0.00 175.29 174.43 3dak s ILE 162 N 0.63 4.76 0.24 1.08 1.01 -0.09 -0.62 121.20 128.22 3dak s ILE 162 Ca -0.08 1.86 0.06 0.00 0.00 0.00 0.00 60.65 62.49 3dak s ILE 162 Cb -0.12 -4.23 -0.03 0.00 0.01 0.00 0.00 42.46 38.09 3dak s ILE 162 CO 0.00 0.27 0.24 0.00 0.00 0.00 0.00 174.94 175.45 3dak s ALA 163 N 0.43 3.68 -0.01 9.38 0.00 0.57 -1.62 121.76 134.20 3dak s ALA 163 Ca 0.45 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3dak s ALA 163 Cb -0.21 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.49 3dak s ALA 163 CO 0.26 0.27 0.00 -0.25 0.00 0.00 0.00 175.76 176.04 3dak n ASP 164 N -1.17 -3.14 -4.63 0.00 8.00 -1.26 -4.90 116.55 109.44 3dak n ASP 164 Ca -0.08 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 54.97 3dak n ASP 164 Cb 0.57 -0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 41.00 3dak n ASP 164 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3dak n PHE 165 N -2.95 1.70 -0.11 1.24 7.35 -1.26 -1.08 117.46 122.34 3dak n PHE 165 Ca -0.00 0.59 0.00 0.00 -0.76 0.00 0.00 57.45 57.28 3dak n PHE 165 Cb 0.02 -2.35 0.00 0.00 0.35 0.00 0.00 39.48 37.51 3dak n PHE 165 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dak n GLY 166 N 1.72 0.88 0.16 7.13 0.00 -1.26 -4.56 105.19 109.27 3dak n GLY 166 Ca 0.11 -1.30 -0.08 0.00 0.00 0.00 0.00 46.02 44.75 3dak n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3dak h VAL 167 N 0.00 0.66 -0.02 1.61 2.07 -1.80 -1.14 116.25 117.64 3dak h VAL 167 Ca 0.00 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.54 3dak h VAL 167 Cb 0.00 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 3dak h VAL 167 CO 0.00 0.00 -0.08 0.28 0.02 0.00 0.00 177.57 177.79 3dak h SER 168 N -0.08 -0.22 -0.49 0.57 0.02 -1.80 0.02 113.55 111.57 3dak h SER 168 Ca 0.12 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 3dak h SER 168 Cb 0.26 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 3dak h SER 168 CO -0.27 -0.11 0.28 0.00 -1.14 0.00 0.00 176.83 175.58 3dak h ALA 169 N 0.88 0.62 -0.00 3.77 0.00 -1.03 -0.28 119.26 123.22 3dak h ALA 169 Ca 0.04 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3dak h ALA 169 Cb 0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3dak h ALA 169 CO -0.09 0.13 -0.27 0.35 0.00 0.00 0.00 179.25 179.37 3dak h PHE 170 N 0.64 -0.72 -0.40 0.00 3.57 -0.98 -1.62 116.94 117.44 3dak h PHE 170 Ca 0.17 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 3dak h PHE 170 Cb 0.03 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3dak h PHE 170 CO -0.02 -0.36 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.52 3dak h LEU 171 N -0.41 0.68 -1.89 0.59 3.38 -0.84 -0.31 115.31 116.51 3dak h LEU 171 Ca 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3dak h LEU 171 Cb 0.49 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 3dak h LEU 171 CO -0.23 0.82 -0.11 0.00 0.09 0.00 0.00 178.44 179.00 3dak h ALA 172 N 1.25 1.61 -0.26 1.53 0.00 -0.68 -3.10 119.26 119.61 3dak h ALA 172 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3dak h ALA 172 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3dak h ALA 172 CO 0.03 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.68 3dak n THR 173 N -4.11 2.15 0.00 0.00 -2.24 -0.64 -4.93 114.28 104.51 3dak n THR 173 Ca -0.02 -1.81 0.00 0.00 -2.27 0.00 0.00 64.05 59.95 3dak n THR 173 Cb 0.20 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.25 3dak n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dak n GLY 174 N -0.44 0.68 7.00 3.38 0.00 -1.14 -4.94 105.19 109.72 3dak n GLY 174 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3dak n GLY 174 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dak n GLY 175 N -1.35 0.75 3.30 -0.02 0.00 -0.15 -5.01 105.19 102.70 3dak n GLY 175 Ca 0.00 -0.79 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 3dak n GLY 175 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3dak n ASP 176 N 4.32 0.19 -4.72 1.61 2.03 -1.26 -4.93 116.55 113.78 3dak n ASP 176 Ca 0.00 -1.46 -0.42 0.00 0.52 0.00 0.00 54.79 53.43 3dak n ASP 176 Cb 0.00 -0.84 -0.03 0.00 -0.72 0.00 0.00 41.12 39.53 3dak n ASP 176 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3dak s THR 189 N -3.40 3.20 -0.16 5.18 2.01 -1.26 -5.25 115.64 115.95 3dak s THR 189 Ca 0.64 0.88 0.00 0.00 0.31 0.00 0.00 61.69 63.52 3dak s THR 189 Cb -0.02 -3.57 0.17 0.00 0.01 0.00 0.00 72.50 69.09 3dak s THR 189 CO 0.44 0.08 1.59 -0.81 -0.69 0.00 0.00 174.62 175.24 3dak n PRO 190 N 3.65 1.42 -0.10 4.92 -0.04 -1.26 -4.65 135.00 138.93 3dak n PRO 190 Ca 0.11 -0.91 0.22 0.00 -0.04 0.00 0.00 63.50 62.88 3dak n PRO 190 Cb 0.42 -1.36 0.66 0.00 -0.04 0.00 0.00 33.50 33.18 3dak n PRO 190 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dak n TRP 192 N -4.37 0.00 -2.91 0.00 8.01 -1.26 -5.00 117.44 111.91 3dak n TRP 192 Ca 0.14 0.00 -0.40 0.00 -1.31 0.00 0.00 57.50 55.93 3dak n TRP 192 Cb 0.71 -0.00 -0.04 0.00 -2.01 0.00 0.00 31.31 29.97 3dak n TRP 192 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.69 178.09 3dak s MET 193 N -2.47 4.52 0.66 -0.99 1.75 -0.86 -5.01 119.30 116.90 3dak s MET 193 Ca 0.19 1.14 -0.17 0.00 -1.25 0.00 0.00 55.69 55.60 3dak s MET 193 Cb 0.18 -3.40 -0.00 0.00 2.84 0.00 0.00 34.83 34.45 3dak s MET 193 CO 0.56 0.15 1.23 0.00 -0.65 0.00 0.00 175.02 176.32 3dak s ALA 194 N 0.37 2.35 0.24 4.11 0.00 -1.26 -4.77 121.76 122.80 3dak s ALA 194 Ca 0.42 1.01 -0.04 0.00 0.00 0.00 0.00 51.96 53.35 3dak s ALA 194 Cb -0.20 -3.48 0.43 0.00 0.00 0.00 0.00 23.12 19.86 3dak s ALA 194 CO 0.24 -1.54 1.77 -1.00 0.00 0.00 0.00 175.76 175.23 3dak h PRO 195 N 0.35 0.59 0.00 0.00 0.13 -1.98 -0.07 132.00 131.02 3dak h PRO 195 Ca -0.50 -0.04 -0.07 0.00 -0.87 0.00 0.00 66.00 64.53 3dak h PRO 195 Cb 1.31 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3dak h PRO 195 CO 0.53 0.39 -0.33 1.05 -0.23 0.00 0.00 178.00 179.40 3dak h GLU 196 N 0.61 0.00 -0.14 0.86 9.09 -1.99 0.24 114.58 123.25 3dak h GLU 196 Ca 0.40 0.00 -0.11 0.00 0.05 0.00 0.00 59.36 59.70 3dak h GLU 196 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 3dak h GLU 196 CO -0.32 0.33 -0.35 0.28 0.05 0.00 0.00 179.01 179.00 3dak h VAL 197 N 0.00 1.36 -0.64 -1.06 2.07 -1.76 -3.01 116.25 113.21 3dak h VAL 197 Ca -0.00 -1.63 0.11 0.00 0.82 0.00 0.00 66.70 66.00 3dak h VAL 197 Cb 0.59 2.05 -0.08 0.00 -1.52 0.00 0.00 31.29 32.32 3dak h VAL 197 CO 0.04 0.49 0.19 0.24 0.02 0.00 0.00 177.57 178.55 3dak h MET 198 N 0.09 0.32 -0.47 1.57 2.86 -0.34 0.22 114.93 119.19 3dak h MET 198 Ca -0.00 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3dak h MET 198 Cb 0.96 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.51 3dak h MET 198 CO 0.08 0.21 0.25 1.49 1.06 0.00 0.00 176.91 180.00 3dak h GLU 199 N 0.33 0.48 0.00 1.72 4.57 -0.61 -0.89 114.58 120.18 3dak h GLU 199 Ca 0.33 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.37 3dak h GLU 199 Cb 0.48 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.95 3dak h GLU 199 CO -0.38 0.32 -0.54 -0.56 -1.18 0.00 0.00 179.01 176.67 3dak h GLN 200 N 0.49 0.00 -0.49 1.92 3.07 -1.32 -2.63 115.11 116.15 3dak h GLN 200 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.88 3dak h GLN 200 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.62 3dak h GLN 200 CO -0.12 0.54 0.09 0.28 0.09 0.00 0.00 178.83 179.70 3dak h VAL 201 N 0.00 1.25 0.00 1.86 2.07 -0.56 -2.91 116.25 117.96 3dak h VAL 201 Ca -0.01 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3dak h VAL 201 Cb 1.29 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3dak h VAL 201 CO 0.07 0.32 -0.01 -2.11 0.02 0.00 0.00 177.57 175.86 3dak n ARG 202 N -4.43 0.07 0.00 1.57 1.85 -0.38 -5.03 116.66 110.32 3dak n ARG 202 Ca 0.01 0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.92 3dak n ARG 202 Cb 0.25 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 30.08 3dak n ARG 202 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3dak n GLY 203 N 1.45 0.39 3.32 2.89 0.00 -1.00 -4.94 105.19 107.31 3dak n GLY 203 Ca 0.07 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 3dak n GLY 203 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dak s TYR 204 N 0.00 1.24 0.00 1.61 -0.85 -1.26 -4.75 117.35 113.34 3dak s TYR 204 Ca 0.00 -1.38 0.00 0.00 -0.52 0.00 0.00 57.07 55.17 3dak s TYR 204 Cb 0.00 -0.44 0.00 0.00 0.38 0.00 0.00 41.96 41.90 3dak s TYR 204 CO 0.00 -0.84 0.00 -0.40 -1.52 0.00 0.00 175.55 172.79 3dak n ASP 205 N -0.89 0.25 0.25 -0.18 5.68 -1.26 -5.03 116.55 115.38 3dak n ASP 205 Ca 0.03 -0.74 0.17 0.00 -0.50 0.00 0.00 54.79 53.75 3dak n ASP 205 Cb 0.64 0.00 0.90 0.00 -1.14 0.00 0.00 41.12 41.51 3dak n ASP 205 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 3dak h PHE 206 N 0.74 0.00 0.00 2.11 -0.00 -1.98 -0.55 116.94 117.26 3dak h PHE 206 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.97 57.96 3dak h PHE 206 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.95 35.95 3dak h PHE 206 CO 0.00 0.00 -0.03 0.87 -0.00 0.00 0.00 178.31 179.15 3dak h LYS 207 N 0.00 0.00 -0.88 6.09 1.79 -1.95 -0.94 116.57 120.68 3dak h LYS 207 Ca 0.05 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.61 3dak h LYS 207 Cb 0.32 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.91 3dak h LYS 207 CO -0.00 0.03 0.57 0.00 -1.08 0.00 0.00 179.45 178.97 3dak h ALA 208 N 1.97 1.61 -0.05 3.86 0.00 -1.47 -1.17 119.26 124.01 3dak h ALA 208 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3dak h ALA 208 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3dak h ALA 208 CO 0.00 0.22 -0.12 -0.44 0.00 0.00 0.00 179.25 178.91 3dak h ASP 209 N 0.91 0.07 -0.17 0.00 3.32 -1.35 -2.57 116.42 116.63 3dak h ASP 209 Ca 0.40 -0.01 -0.19 0.00 0.02 0.00 0.00 57.03 57.25 3dak h ASP 209 Cb 0.35 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3dak h ASP 209 CO -0.16 0.20 -0.59 0.40 -1.72 0.00 0.00 179.24 177.36 3dak h ILE 210 N 0.07 1.29 0.21 0.35 1.08 -1.25 0.50 117.51 119.76 3dak h ILE 210 Ca 0.02 -1.80 -0.01 0.00 -0.39 0.00 0.00 64.86 62.68 3dak h ILE 210 Cb 0.27 1.73 -0.00 0.00 -3.07 0.00 0.00 36.82 35.75 3dak h ILE 210 CO 0.02 0.58 -0.11 -0.25 -0.69 0.00 0.00 178.15 177.69 3dak h TRP 211 N 0.58 -0.29 -0.50 1.37 2.91 -1.32 -2.00 115.95 116.71 3dak h TRP 211 Ca 0.00 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.05 3dak h TRP 211 Cb 1.19 0.10 -0.03 0.00 -0.51 0.00 0.00 29.16 29.91 3dak h TRP 211 CO 0.07 -0.18 0.33 0.77 -1.03 0.00 0.00 178.44 178.40 3dak h SER 212 N -0.30 0.46 -0.45 2.65 0.02 -1.34 -1.20 113.55 113.40 3dak h SER 212 Ca -0.02 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3dak h SER 212 Cb 0.24 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 3dak h SER 212 CO 0.04 0.32 0.18 0.15 -1.14 0.00 0.00 176.83 176.37 3dak h PHE 213 N 0.53 0.69 -0.31 3.45 3.57 -0.80 -1.36 116.94 122.71 3dak h PHE 213 Ca 0.20 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3dak h PHE 213 Cb 0.14 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 3dak h PHE 213 CO -0.00 0.59 -0.01 0.78 -2.23 0.00 0.00 178.31 177.44 3dak h GLY 214 N 0.59 0.52 1.05 2.40 0.00 -0.48 -1.13 103.07 106.02 3dak h GLY 214 Ca 0.15 -0.30 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 3dak h GLY 214 CO -0.01 0.28 0.08 -2.22 0.00 0.00 0.00 176.54 174.67 3dak h ILE 215 N 0.47 1.26 -0.65 2.60 1.08 -1.08 -2.81 117.51 118.38 3dak h ILE 215 Ca 0.10 -1.04 -0.07 0.00 -0.39 0.00 0.00 64.86 63.46 3dak h ILE 215 Cb 0.32 0.74 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 3dak h ILE 215 CO 0.01 0.38 0.12 0.74 -0.69 0.00 0.00 178.15 178.72 3dak h THR 216 N 0.94 1.26 -0.77 -0.27 2.02 -0.93 0.03 112.91 115.18 3dak h THR 216 Ca 0.18 -0.99 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 3dak h THR 216 Cb 0.46 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.46 3dak h THR 216 CO 0.02 0.37 0.48 0.00 0.37 0.00 0.00 175.52 176.76 3dak h ALA 217 N 1.13 0.98 -0.33 6.16 0.00 -1.13 -1.22 119.26 124.85 3dak h ALA 217 Ca 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3dak h ALA 217 Cb 0.40 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3dak h ALA 217 CO 0.01 0.44 0.20 0.82 0.00 0.00 0.00 179.25 180.72 3dak h ILE 218 N 1.06 1.12 -0.76 0.00 2.04 -1.15 -2.79 117.51 117.02 3dak h ILE 218 Ca 0.28 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.88 3dak h ILE 218 Cb -0.05 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 36.68 3dak h ILE 218 CO -0.05 0.12 0.50 -0.08 0.00 0.00 0.00 178.15 178.63 3dak h GLU 219 N 0.43 0.97 0.00 2.37 4.81 -0.66 0.88 114.58 123.38 3dak h GLU 219 Ca 0.12 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3dak h GLU 219 Cb 0.01 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3dak h GLU 219 CO -0.02 0.64 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.55 3dak h LEU 220 N 1.00 0.00 0.11 1.64 3.38 -1.13 0.47 115.31 120.79 3dak h LEU 220 Ca 0.28 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.96 3dak h LEU 220 Cb -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3dak h LEU 220 CO -0.07 0.28 -1.53 0.00 0.09 0.00 0.00 178.44 177.21 3dak h ALA 221 N 1.72 0.23 0.00 1.53 0.00 -1.13 -2.50 119.26 119.10 3dak h ALA 221 Ca -0.00 -1.16 0.00 0.00 0.00 0.00 0.00 54.91 53.75 3dak h ALA 221 Cb 0.94 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3dak h ALA 221 CO 0.04 0.92 -1.28 0.25 0.00 0.00 0.00 179.25 179.18 3dak n THR 222 N -3.86 0.00 -0.09 0.00 -2.24 0.25 -0.63 114.28 107.71 3dak n THR 222 Ca -0.27 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3dak n THR 222 Cb 0.92 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.78 3dak n THR 222 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dak n GLY 223 N 1.43 0.84 3.34 3.38 0.00 0.17 -4.87 105.19 109.46 3dak n GLY 223 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3dak n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dak s ALA 224 N -2.39 -1.07 0.62 4.61 0.00 -1.17 -4.94 121.76 117.41 3dak s ALA 224 Ca 0.00 0.34 -0.17 0.00 0.00 0.00 0.00 51.96 52.13 3dak s ALA 224 Cb 0.00 0.39 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 3dak s ALA 224 CO 0.00 -0.48 1.13 0.00 0.00 0.00 0.00 175.76 176.41 3dak s ALA 225 N -2.59 2.53 0.25 0.00 0.00 -1.26 -3.53 121.76 117.15 3dak s ALA 225 Ca -0.05 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 52.58 3dak s ALA 225 Cb -0.01 -3.36 0.47 0.00 0.00 0.00 0.00 23.12 20.23 3dak s ALA 225 CO -0.03 -1.14 1.67 -1.35 0.00 0.00 0.00 175.76 174.91 3dak h PRO 226 N 0.49 0.21 -0.75 0.00 0.11 -1.91 -2.72 132.00 127.44 3dak h PRO 226 Ca -0.48 -0.01 -0.28 0.00 0.11 0.00 0.00 66.00 65.33 3dak h PRO 226 Cb 1.26 -0.05 -0.17 0.00 0.11 0.00 0.00 31.00 32.15 3dak h PRO 226 CO 0.55 0.14 0.33 0.66 -0.21 0.00 0.00 178.00 179.46 3dak n TYR 227 N -5.21 2.41 0.33 0.65 4.01 -1.26 -3.50 117.16 114.59 3dak n TYR 227 Ca 0.14 -1.41 0.22 0.00 -0.16 0.00 0.00 57.90 56.69 3dak n TYR 227 Cb 0.48 -0.72 1.14 0.00 -0.31 0.00 0.00 39.34 39.92 3dak n TYR 227 CO 0.00 0.00 0.00 1.12 -0.46 0.00 0.00 176.86 177.52 3dak h HIS 228 N 1.99 0.00 0.00 -0.72 2.07 -1.86 -1.37 115.15 115.26 3dak h HIS 228 Ca 0.35 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.87 3dak h HIS 228 Cb 2.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.35 3dak h HIS 228 CO 1.31 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 177.80 3dak n LYS 229 N -3.13 0.74 -4.23 5.12 5.02 -1.26 -4.88 118.16 115.54 3dak n LYS 229 Ca -0.03 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 55.99 3dak n LYS 229 Cb 0.10 -1.50 -0.09 0.00 -0.02 0.00 0.00 35.03 33.52 3dak n LYS 229 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3dak s TYR 230 N -2.18 2.76 0.84 2.13 1.51 -0.52 -5.11 117.35 116.79 3dak s TYR 230 Ca 0.38 -0.16 -0.12 0.00 -1.01 0.00 0.00 57.07 56.16 3dak s TYR 230 Cb 0.19 -1.39 0.10 0.00 -0.11 0.00 0.00 41.96 40.76 3dak s TYR 230 CO 0.36 0.48 1.17 -1.25 -1.11 0.00 0.00 175.55 175.20 3dak s PRO 231 N -2.60 1.48 0.27 -1.71 0.04 -1.26 -4.73 135.00 126.50 3dak s PRO 231 Ca 0.24 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.89 3dak s PRO 231 Cb -0.10 -1.77 0.59 0.00 0.04 0.00 0.00 34.50 33.26 3dak s PRO 231 CO 0.16 -2.30 1.70 -1.35 0.04 0.00 0.00 177.00 175.24 3dak h PRO 232 N -1.27 0.35 0.00 0.56 0.11 -1.98 -2.09 132.00 127.68 3dak h PRO 232 Ca -0.45 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 3dak h PRO 232 Cb 1.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3dak h PRO 232 CO 0.45 0.23 -0.84 0.52 -0.21 0.00 0.00 178.00 178.15 3dak h MET 233 N 0.36 0.04 0.00 1.05 2.86 -2.01 -3.07 114.93 114.16 3dak h MET 233 Ca 0.49 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 58.02 3dak h MET 233 Cb 0.87 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 3dak h MET 233 CO -0.51 0.85 -0.31 0.87 1.06 0.00 0.00 176.91 178.88 3dak h LYS 234 N 0.02 0.00 -0.62 1.72 1.57 -1.78 -3.08 116.57 114.40 3dak h LYS 234 Ca -0.02 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3dak h LYS 234 Cb 1.48 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.76 3dak h LYS 234 CO 0.11 0.31 0.23 0.28 -0.57 0.00 0.00 179.45 179.81 3dak h VAL 235 N 0.00 1.22 -0.19 0.50 2.07 -1.29 0.35 116.25 118.91 3dak h VAL 235 Ca -0.00 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.79 3dak h VAL 235 Cb 0.57 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3dak h VAL 235 CO 0.04 0.29 0.12 -0.07 0.02 0.00 0.00 177.57 177.97 3dak h LEU 236 N 0.90 0.23 -0.07 2.57 3.38 -1.57 -1.35 115.31 119.40 3dak h LEU 236 Ca 0.21 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 3dak h LEU 236 Cb 0.20 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.90 3dak h LEU 236 CO -0.02 0.19 -0.54 0.24 0.09 0.00 0.00 178.44 178.41 3dak h MET 237 N 0.25 0.49 -0.57 1.13 2.86 -1.39 -2.60 114.93 115.09 3dak h MET 237 Ca 0.07 -0.43 0.07 0.00 -2.06 0.00 0.00 59.70 57.35 3dak h MET 237 Cb 0.00 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.70 3dak h MET 237 CO -0.01 1.07 0.25 -0.07 1.06 0.00 0.00 176.91 179.21 3dak h LEU 238 N 0.05 0.31 -0.11 1.22 3.38 -0.28 0.18 115.31 120.06 3dak h LEU 238 Ca -0.05 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dak h LEU 238 Cb 1.20 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.96 3dak h LEU 238 CO 0.11 0.20 0.07 0.74 0.09 0.00 0.00 178.44 179.65 3dak h THR 239 N 0.47 1.06 0.00 0.22 2.02 -1.26 -2.35 112.91 113.07 3dak h THR 239 Ca 0.27 -0.15 -0.10 0.00 0.77 0.00 0.00 66.41 67.20 3dak h THR 239 Cb 0.27 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 3dak h THR 239 CO -0.24 0.05 -0.49 -0.07 0.37 0.00 0.00 175.52 175.15 3dak h LEU 240 N 0.12 0.00 -2.37 2.58 3.38 -0.94 -3.26 115.31 114.82 3dak h LEU 240 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dak h LEU 240 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dak h LEU 240 CO -0.01 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.01 3dak n GLN 241 N -3.45 2.54 -4.47 1.13 10.64 0.57 -4.93 117.38 119.42 3dak n GLN 241 Ca 0.00 -2.34 -0.24 0.00 -1.83 0.00 0.00 57.00 52.60 3dak n GLN 241 Cb 0.62 -1.52 -0.10 0.00 -0.86 0.00 0.00 30.24 28.38 3dak n GLN 241 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 3dak s ASN 242 N -1.46 3.60 0.80 2.61 0.01 -0.89 -5.04 114.94 114.57 3dak s ASN 242 Ca 0.40 -1.02 -0.15 0.00 -0.71 0.00 0.00 52.86 51.37 3dak s ASN 242 Cb 0.23 -0.30 -0.01 0.00 0.41 0.00 0.00 41.25 41.57 3dak s ASN 242 CO 0.32 0.04 0.49 0.47 -1.51 0.00 0.00 177.10 176.92 3dak n ASP 243 N -0.61 -1.46 -4.62 -1.22 8.00 -1.26 -4.89 116.55 110.48 3dak n ASP 243 Ca -0.05 0.50 -0.39 0.00 0.71 0.00 0.00 54.79 55.57 3dak n ASP 243 Cb 0.60 -1.22 0.04 0.00 -0.02 0.00 0.00 41.12 40.52 3dak n ASP 243 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3dak n PRO 244 N -1.06 1.09 -1.39 -0.24 -0.02 -1.26 -4.94 135.00 127.18 3dak n PRO 244 Ca 0.09 0.41 -0.31 0.00 -2.02 0.00 0.00 63.50 61.67 3dak n PRO 244 Cb 0.51 -2.17 0.09 0.00 -0.02 0.00 0.00 33.50 31.91 3dak n PRO 244 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dak s PRO 245 N -2.56 2.26 0.10 0.52 0.04 -1.26 -5.08 135.00 129.02 3dak s PRO 245 Ca 0.72 0.96 0.01 0.00 0.04 0.00 0.00 61.00 62.72 3dak s PRO 245 Cb -0.45 -1.91 -0.00 0.00 0.04 0.00 0.00 34.50 32.17 3dak s PRO 245 CO 0.50 -1.58 0.02 -1.13 0.04 0.00 0.00 177.00 174.85 3dak n SER 246 N -3.45 1.40 -0.14 6.66 3.41 -1.26 -4.96 113.62 115.27 3dak n SER 246 Ca 0.08 -1.49 0.04 0.00 -0.26 0.00 0.00 58.87 57.24 3dak n SER 246 Cb 0.54 0.19 0.35 0.00 -0.26 0.00 0.00 64.21 65.02 3dak n SER 246 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3dak h LEU 247 N 0.00 0.66 -1.42 1.04 3.38 -1.97 -2.58 115.31 114.42 3dak h LEU 247 Ca -0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3dak h LEU 247 Cb 0.28 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3dak h LEU 247 CO 0.13 0.45 0.00 -0.33 0.09 0.00 0.00 178.44 178.78 3dak h GLU 248 N 0.76 0.00 -0.14 1.13 3.07 -1.96 -3.31 114.58 114.12 3dak h GLU 248 Ca 0.26 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.12 3dak h GLU 248 Cb 0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 3dak h GLU 248 CO -0.07 0.00 0.09 1.15 -1.40 0.00 0.00 179.01 178.78 3dak h THR 249 N 0.00 1.06 0.00 1.13 2.02 -1.81 -3.33 112.91 111.98 3dak h THR 249 Ca 0.00 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3dak h THR 249 Cb 0.43 0.89 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3dak h THR 249 CO 0.00 0.06 -0.46 0.61 0.37 0.00 0.00 175.52 176.09 3dak n GLY 250 N -1.05 0.18 3.73 2.16 0.00 -1.23 -4.95 105.19 104.03 3dak n GLY 250 Ca -0.04 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3dak n GLY 250 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3dak n VAL 251 N -1.24 2.88 -0.09 1.61 3.14 -1.25 -4.90 118.33 118.49 3dak n VAL 251 Ca 0.01 -0.50 -0.07 0.00 -2.96 0.00 0.00 64.34 60.82 3dak n VAL 251 Cb 0.13 -1.70 0.00 0.00 -1.06 0.00 0.00 33.84 31.22 3dak n VAL 251 CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 3dak h GLN 252 N 2.04 0.20 -3.52 1.45 4.20 -1.94 -3.45 115.11 114.09 3dak h GLN 252 Ca -0.50 -0.01 -0.17 0.00 0.06 0.00 0.00 58.65 58.03 3dak h GLN 252 Cb 1.29 -0.05 -0.23 0.00 0.30 0.00 0.00 27.48 28.79 3dak h GLN 252 CO 0.60 0.13 -0.54 -0.51 -0.67 0.00 0.00 178.83 177.84 3dak s ASP 253 N -5.32 -0.02 0.09 1.46 1.01 -1.26 -5.05 116.67 107.59 3dak s ASP 253 Ca -0.13 -0.04 0.22 0.00 0.71 0.00 0.00 52.55 53.31 3dak s ASP 253 Cb 0.11 0.22 0.89 0.00 1.01 0.00 0.00 42.92 45.15 3dak s ASP 253 CO 0.70 -0.23 1.68 0.29 0.21 0.00 0.00 175.17 177.83 3dak n LYS 254 N 2.11 0.09 0.07 8.23 4.76 -1.26 -2.58 118.16 129.58 3dak n LYS 254 Ca -0.19 0.23 0.01 0.00 -2.87 0.00 0.00 58.31 55.49 3dak n LYS 254 Cb 0.57 -1.64 0.33 0.00 -1.84 0.00 0.00 35.03 32.45 3dak n LYS 254 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 3dak h GLU 255 N 0.00 0.35 0.00 1.97 4.81 -2.00 -2.53 114.58 117.18 3dak h GLU 255 Ca 0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3dak h GLU 255 Cb 0.41 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3dak h GLU 255 CO 0.00 0.48 0.00 -1.33 -0.73 0.00 0.00 179.01 177.43 3dak n MET 256 N -4.24 0.00 -0.59 1.92 2.81 -1.06 -2.91 117.12 113.05 3dak n MET 256 Ca -0.00 0.44 0.09 0.00 -1.81 0.00 0.00 57.70 56.42 3dak n MET 256 Cb 0.29 -1.50 0.33 0.00 -0.71 0.00 0.00 33.22 31.63 3dak n MET 256 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3dak n LEU 257 N -1.48 4.61 0.11 4.03 4.77 -0.95 -2.05 117.00 126.03 3dak n LEU 257 Ca 0.01 -2.58 0.12 0.00 -0.03 0.00 0.00 56.01 53.53 3dak n LEU 257 Cb 0.03 -0.56 0.28 0.00 -2.33 0.00 0.00 43.42 40.84 3dak n LEU 257 CO 0.02 0.75 0.66 0.07 -1.33 0.00 0.00 177.39 177.57 3dak h LYS 258 N 3.49 0.00 0.00 3.23 2.10 -1.71 -3.27 116.57 120.40 3dak h LYS 258 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dak h LYS 258 Cb 1.47 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.80 3dak h LYS 258 CO 0.25 0.00 0.00 1.63 -2.00 0.00 0.00 179.45 179.33 3dak n LYS 259 N -2.34 0.37 -4.85 0.07 5.02 -1.20 -4.84 118.16 110.39 3dak n LYS 259 Ca 0.04 0.07 -0.28 0.00 -2.02 0.00 0.00 58.31 56.13 3dak n LYS 259 Cb 0.45 -1.50 -0.17 0.00 -0.02 0.00 0.00 35.03 33.80 3dak n LYS 259 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3dak s TYR 260 N -2.46 1.90 0.00 2.13 1.51 -1.24 -4.38 117.35 114.82 3dak s TYR 260 Ca 0.23 -0.73 0.00 0.00 -1.01 0.00 0.00 57.07 55.56 3dak s TYR 260 Cb 0.14 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.67 3dak s TYR 260 CO 0.31 -0.32 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 3dak n GLY 261 N 3.64 3.33 0.21 0.71 0.00 -1.26 -4.99 105.19 106.83 3dak n GLY 261 Ca -0.21 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.59 3dak n GLY 261 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dak h LYS 262 N 0.00 0.58 -0.26 1.61 1.57 -2.00 -2.81 116.57 115.26 3dak h LYS 262 Ca 0.00 -0.37 -0.15 0.00 -1.87 0.00 0.00 60.65 58.26 3dak h LYS 262 Cb 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3dak h LYS 262 CO 0.00 0.98 -0.46 0.66 -0.57 0.00 0.00 179.45 180.07 3dak h SER 263 N 0.44 0.73 -0.40 0.86 4.64 -1.98 0.23 113.55 118.07 3dak h SER 263 Ca 0.01 -0.35 -0.00 0.00 -0.47 0.00 0.00 61.79 60.97 3dak h SER 263 Cb 1.11 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.97 3dak h SER 263 CO 0.11 1.08 0.23 0.15 -0.87 0.00 0.00 176.83 177.53 3dak h PHE 264 N 0.54 0.54 -0.58 4.77 3.57 -1.95 -0.75 116.94 123.08 3dak h PHE 264 Ca 0.03 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 3dak h PHE 264 Cb 1.00 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 3dak h PHE 264 CO 0.05 0.40 -0.06 0.00 -2.23 0.00 0.00 178.31 176.46 3dak h ARG 265 N 0.53 1.06 -0.16 1.11 3.08 -1.30 -0.93 114.38 117.76 3dak h ARG 265 Ca 0.14 -0.37 -0.10 0.00 0.07 0.00 0.00 59.98 59.72 3dak h ARG 265 Cb 0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3dak h ARG 265 CO -0.03 1.07 -0.36 -0.22 -1.07 0.00 0.00 179.97 179.37 3dak h LYS 266 N 0.95 0.33 -0.05 0.04 3.64 -0.90 -0.20 116.57 120.38 3dak h LYS 266 Ca 0.16 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3dak h LYS 266 Cb 0.63 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 3dak h LYS 266 CO 0.04 0.65 0.01 1.98 -2.27 0.00 0.00 179.45 179.87 3dak h MET 267 N 0.28 0.08 -0.23 1.90 4.05 -0.74 -0.97 114.93 119.30 3dak h MET 267 Ca 0.03 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.45 3dak h MET 267 Cb 0.77 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.54 3dak h MET 267 CO 0.06 0.27 0.12 0.82 0.23 0.00 0.00 176.91 178.41 3dak h ILE 268 N -0.13 1.00 0.00 1.77 2.04 -1.04 -2.73 117.51 118.43 3dak h ILE 268 Ca 0.02 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.74 3dak h ILE 268 Cb 0.22 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.02 3dak h ILE 268 CO -0.00 0.05 -0.23 0.77 0.00 0.00 0.00 178.15 178.74 3dak h SER 269 N 0.25 0.00 -0.31 1.72 4.64 -0.88 -0.95 113.55 118.01 3dak h SER 269 Ca 0.09 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.31 3dak h SER 269 Cb 0.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 3dak h SER 269 CO -0.06 0.23 -0.19 -0.07 -0.87 0.00 0.00 176.83 175.86 3dak h LEU 270 N 0.00 0.79 -0.20 5.97 3.38 -0.88 -3.23 115.31 121.13 3dak h LEU 270 Ca -0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.66 3dak h LEU 270 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3dak h LEU 270 CO 0.03 0.96 -0.04 0.00 0.09 0.00 0.00 178.44 179.48 3dak n LEU 272 N -4.63 7.84 -4.50 0.00 4.77 -0.44 -4.00 117.00 116.04 3dak n LEU 272 Ca -0.05 -4.73 -0.33 0.00 -0.03 0.00 0.00 56.01 50.88 3dak n LEU 272 Cb 0.27 -1.43 -0.13 0.00 -2.33 0.00 0.00 43.42 39.81 3dak n LEU 272 CO 0.38 1.89 -0.44 -1.10 -1.33 0.00 0.00 177.39 176.79 3dak s GLN 273 N -0.16 2.49 0.41 3.23 -0.21 -1.26 -4.73 119.66 119.43 3dak s GLN 273 Ca 0.53 -0.71 0.12 0.00 0.02 0.00 0.00 55.36 55.33 3dak s GLN 273 Cb 0.16 -2.39 0.86 0.00 1.00 0.00 0.00 33.01 32.64 3dak s GLN 273 CO -0.07 0.62 1.92 0.87 -2.12 0.00 0.00 175.29 176.51 3dak h LYS 274 N 5.16 0.07 -6.00 2.91 1.79 -1.96 -3.40 116.57 115.15 3dak h LYS 274 Ca -0.47 -0.02 -0.61 0.00 -2.18 0.00 0.00 60.65 57.37 3dak h LYS 274 Cb 1.16 -0.01 -0.11 0.00 -1.58 0.00 0.00 32.23 31.68 3dak h LYS 274 CO 0.51 0.29 0.49 0.34 -1.08 0.00 0.00 179.45 180.00 3dak s ASP 275 N -6.95 6.49 0.52 0.86 2.15 -1.26 -4.94 116.67 113.54 3dak s ASP 275 Ca -0.04 0.10 0.18 0.00 0.43 0.00 0.00 52.55 53.22 3dak s ASP 275 Cb 0.15 -2.43 1.30 0.00 -0.30 0.00 0.00 42.92 41.65 3dak s ASP 275 CO 0.72 -0.97 2.12 1.55 -0.17 0.00 0.00 175.17 178.42 3dak h PRO 276 N 8.95 0.00 0.00 4.34 0.13 -1.95 -2.57 132.00 140.90 3dak h PRO 276 Ca -0.24 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.86 3dak h PRO 276 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 3dak h PRO 276 CO 0.99 0.00 -0.15 0.93 -0.23 0.00 0.00 178.00 179.54 3dak h GLU 277 N 0.00 0.00 0.00 0.86 4.39 -1.94 -2.47 114.58 115.41 3dak h GLU 277 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 3dak h GLU 277 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3dak h GLU 277 CO -0.00 0.15 -0.11 0.87 -1.16 0.00 0.00 179.01 178.76 3dak h LYS 278 N 0.00 0.00 -6.97 2.33 1.57 -1.85 -3.46 116.57 108.19 3dak h LYS 278 Ca -0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3dak h LYS 278 Cb 0.35 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.72 3dak h LYS 278 CO 0.02 0.00 0.49 1.03 -0.57 0.00 0.00 179.45 180.42 3dak s ARG 279 N -3.14 3.91 0.71 3.15 0.52 -0.93 -4.98 118.95 118.19 3dak s ARG 279 Ca 0.09 1.79 -0.11 0.00 -0.52 0.00 0.00 55.73 56.97 3dak s ARG 279 Cb 0.11 -2.53 0.02 0.00 0.52 0.00 0.00 34.95 33.07 3dak s ARG 279 CO 0.64 -0.43 1.08 -1.25 0.02 0.00 0.00 175.30 175.36 3dak s PRO 280 N -2.52 2.78 0.82 3.54 0.04 -1.26 -5.05 135.00 133.35 3dak s PRO 280 Ca 0.60 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 3dak s PRO 280 Cb -0.29 -2.00 0.08 0.00 0.04 0.00 0.00 34.50 32.34 3dak s PRO 280 CO 0.36 -1.13 1.11 0.95 0.04 0.00 0.00 177.00 178.33 3dak s THR 281 N -3.22 2.81 0.33 1.26 -4.23 -1.26 -4.89 115.64 106.43 3dak s THR 281 Ca 0.58 0.26 0.01 0.00 -1.18 0.00 0.00 61.69 61.36 3dak s THR 281 Cb -0.12 -3.03 0.26 0.00 1.34 0.00 0.00 72.50 70.95 3dak s THR 281 CO 0.53 -0.34 2.00 0.00 -0.54 0.00 0.00 174.62 176.27 3dak h ALA 282 N -1.16 1.51 -0.55 3.99 0.00 -1.94 -1.70 119.26 119.41 3dak h ALA 282 Ca -0.48 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.33 3dak h ALA 282 Cb 1.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3dak h ALA 282 CO 0.60 0.46 0.14 0.00 0.00 0.00 0.00 179.25 180.45 3dak h ALA 283 N 1.57 0.72 -0.73 0.00 0.00 -1.93 0.42 119.26 119.30 3dak h ALA 283 Ca 0.26 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3dak h ALA 283 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3dak h ALA 283 CO -0.06 0.41 0.28 0.93 0.00 0.00 0.00 179.25 180.82 3dak h GLU 284 N 0.77 1.08 -0.49 0.00 5.08 -1.88 -2.90 114.58 116.25 3dak h GLU 284 Ca 0.17 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3dak h GLU 284 Cb 0.33 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3dak h GLU 284 CO 0.00 0.88 0.02 -0.07 -1.00 0.00 0.00 179.01 178.84 3dak h LEU 285 N 1.06 0.76 -2.12 1.33 3.38 -0.77 -1.94 115.31 117.02 3dak h LEU 285 Ca 0.24 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3dak h LEU 285 Cb 0.21 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3dak h LEU 285 CO -0.02 0.81 0.16 -0.07 0.09 0.00 0.00 178.44 179.42 3dak h LEU 286 N 0.75 0.00 -0.46 1.67 3.38 -0.71 -1.14 115.31 118.79 3dak h LEU 286 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3dak h LEU 286 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3dak h LEU 286 CO 0.02 0.00 -0.62 0.54 0.09 0.00 0.00 178.44 178.46 3dak n ARG 287 N -2.75 0.60 -1.93 1.13 1.74 -0.73 -4.84 116.66 109.86 3dak n ARG 287 Ca -0.02 -0.46 -0.38 0.00 -0.77 0.00 0.00 57.85 56.22 3dak n ARG 287 Cb 0.21 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.19 3dak n ARG 287 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3dak s HIS 288 N -2.72 2.44 0.30 -1.55 2.46 -0.43 -4.89 115.29 110.90 3dak s HIS 288 Ca 0.15 1.44 0.03 0.00 0.47 0.00 0.00 55.06 57.15 3dak s HIS 288 Cb 0.17 -3.65 0.77 0.00 -0.13 0.00 0.00 32.58 29.74 3dak s HIS 288 CO 0.68 -2.45 1.63 -0.22 -2.47 0.00 0.00 174.74 171.91 3dak h LYS 289 N 1.50 0.15 -1.00 2.88 3.64 -1.93 -1.99 116.57 119.81 3dak h LYS 289 Ca -0.50 -0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.02 3dak h LYS 289 Cb 1.29 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 3dak h LYS 289 CO 0.58 0.10 0.62 0.35 -2.27 0.00 0.00 179.45 178.82 3dak h PHE 290 N 0.15 1.12 0.00 1.91 3.57 -1.90 -2.12 116.94 119.66 3dak h PHE 290 Ca 0.58 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.12 3dak h PHE 290 Cb 1.22 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.61 3dak h PHE 290 CO -0.29 0.36 0.00 1.19 -2.23 0.00 0.00 178.31 177.34 3dak n PHE 291 N -4.68 0.00 0.34 0.41 3.01 -0.75 -1.83 117.46 113.96 3dak n PHE 291 Ca 0.21 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.81 3dak n PHE 291 Cb 0.45 -0.05 0.59 0.00 -0.01 0.00 0.00 39.48 40.46 3dak n PHE 291 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3dak h GLN 292 N 0.00 0.00 -0.00 -1.08 4.20 -1.48 -3.11 115.11 113.64 3dak h GLN 292 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dak h GLN 292 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3dak h GLN 292 CO 0.00 0.00 -0.06 1.63 -0.67 0.00 0.00 178.83 179.73 3dak n LYS 293 N -2.51 0.65 -1.91 1.46 5.02 -0.76 -4.83 118.16 115.28 3dak n LYS 293 Ca 0.01 -0.14 -0.43 0.00 -2.02 0.00 0.00 58.31 55.74 3dak n LYS 293 Cb 0.23 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 3dak n LYS 293 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dak s ALA 294 N -2.44 2.95 -2.83 7.82 0.00 -1.18 -4.58 121.76 121.50 3dak s ALA 294 Ca 0.31 0.48 0.23 0.00 0.00 0.00 0.00 51.96 52.98 3dak s ALA 294 Cb 0.20 -3.99 0.18 0.00 0.00 0.00 0.00 23.12 19.51 3dak s ALA 294 CO 0.45 -2.49 1.22 1.63 0.00 0.00 0.00 175.76 176.57