#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dak s LEU 8 N 0.00 4.60 0.53 0.00 1.43 -1.26 -5.01 118.68 118.97 3dak s LEU 8 Ca 0.00 1.83 -0.18 0.00 -1.03 0.00 0.00 54.13 54.76 3dak s LEU 8 Cb 0.00 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.64 3dak s LEU 8 CO 0.00 0.13 1.02 -2.16 0.23 0.00 0.00 176.35 175.57 3dak s PRO 9 N -0.93 3.73 0.27 1.29 0.04 -1.26 -5.01 135.00 133.13 3dak s PRO 9 Ca 0.41 1.15 -0.21 0.00 0.04 0.00 0.00 61.00 62.38 3dak s PRO 9 Cb -0.25 -2.10 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 3dak s PRO 9 CO 0.30 -0.47 0.81 -1.58 0.04 0.00 0.00 177.00 176.10 3dak s TRP 10 N -2.37 3.63 0.47 0.56 0.52 -1.26 -5.04 118.94 115.44 3dak s TRP 10 Ca 0.63 1.51 -0.23 0.00 0.02 0.00 0.00 56.10 58.03 3dak s TRP 10 Cb -0.13 -2.72 -0.07 0.00 -1.15 0.00 0.00 33.47 29.39 3dak s TRP 10 CO 0.29 0.26 1.24 0.45 0.02 0.00 0.00 176.95 179.21 3dak s SER 11 N -1.70 6.00 -0.05 2.95 0.15 -1.26 -4.94 113.70 114.84 3dak s SER 11 Ca 0.47 2.50 0.11 0.00 0.70 0.00 0.00 55.95 59.73 3dak s SER 11 Cb -0.16 -2.62 0.31 0.00 -1.71 0.00 0.00 66.02 61.84 3dak s SER 11 CO 0.21 -1.05 1.25 2.30 1.20 0.00 0.00 173.24 177.15 3dak n ILE 12 N -0.45 1.37 -3.44 6.45 -5.35 -1.26 -4.92 119.36 111.76 3dak n ILE 12 Ca 0.07 -1.29 -0.39 0.00 -0.27 0.00 0.00 62.75 60.87 3dak n ILE 12 Cb 0.46 0.27 -0.10 0.00 -1.74 0.00 0.00 39.64 38.54 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 -1.34 6.18 0.32 7.28 3.84 -1.26 -4.93 114.94 125.03 3dak s ASN 13 Ca 0.25 0.10 0.08 0.00 0.21 0.00 0.00 52.86 53.50 3dak s ASN 13 Cb 0.17 -2.19 0.82 0.00 -0.55 0.00 0.00 41.25 39.50 3dak s ASN 13 CO 0.11 -0.19 1.76 -0.09 -2.79 0.00 0.00 177.10 175.90 3dak h ARG 14 N 8.29 0.65 0.00 0.43 1.12 -1.95 -1.31 114.38 121.60 3dak h ARG 14 Ca -0.32 -0.04 0.00 0.00 -1.11 0.00 0.00 59.98 58.51 3dak h ARG 14 Cb 1.16 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.98 3dak h ARG 14 CO 0.63 0.43 0.00 -0.25 -3.11 0.00 0.00 179.97 177.68 3dak n ASP 15 N -4.80 0.49 0.00 -3.80 8.00 -1.26 -2.27 116.55 112.90 3dak n ASP 15 Ca 0.25 0.67 0.15 0.00 0.71 0.00 0.00 54.79 56.57 3dak n ASP 15 Cb 0.66 -0.75 0.87 0.00 -0.02 0.00 0.00 41.12 41.87 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 -2.09 0.00 -3.96 -2.24 8.00 -0.49 -4.72 116.55 111.05 3dak n ASP 16 Ca 0.01 -0.63 -0.30 0.00 0.71 0.00 0.00 54.79 54.58 3dak n ASP 16 Cb 0.13 -0.12 -0.16 0.00 -0.02 0.00 0.00 41.12 40.95 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 -2.24 2.25 -0.31 1.24 2.02 -0.96 -2.16 117.35 117.18 3dak s TYR 17 Ca 0.40 -1.50 -0.16 0.00 -0.37 0.00 0.00 57.07 55.44 3dak s TYR 17 Cb 0.21 -1.55 -0.02 0.00 -0.40 0.00 0.00 41.96 40.20 3dak s TYR 17 CO 0.41 -0.72 0.43 -2.00 -1.57 0.00 0.00 175.55 172.10 3dak s GLU 18 N 1.45 3.79 0.29 -0.62 2.12 0.20 -4.88 118.70 121.05 3dak s GLU 18 Ca -0.01 -0.10 -0.29 0.00 0.36 0.00 0.00 54.97 54.92 3dak s GLU 18 Cb -0.16 -3.74 -0.10 0.00 0.26 0.00 0.00 34.13 30.39 3dak s GLU 18 CO -0.08 -0.46 1.15 -0.51 -0.54 0.00 0.00 175.26 174.83 3dak s LEU 19 N 2.18 4.52 0.00 2.70 1.02 -1.26 -0.11 118.68 127.72 3dak s LEU 19 Ca 0.16 2.37 0.00 0.00 0.02 0.00 0.00 54.13 56.67 3dak s LEU 19 Cb -0.16 -3.63 0.00 0.00 0.02 0.00 0.00 46.19 42.42 3dak s LEU 19 CO 0.11 -0.24 0.00 0.00 0.02 0.00 0.00 176.35 176.24 3dak n GLN 20 N 1.17 0.71 -1.70 1.70 6.02 -0.10 -4.91 117.38 120.26 3dak n GLN 20 Ca -0.01 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.55 3dak n GLN 20 Cb 0.44 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.67 3dak n GLN 20 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 3dak n GLU 21 N 0.00 2.34 -2.39 -1.09 4.71 -1.26 -4.64 120.64 118.32 3dak n GLU 21 Ca 0.00 0.84 -0.43 0.00 -0.01 0.00 0.00 57.16 57.56 3dak n GLU 21 Cb 0.00 -2.57 -0.02 0.00 -1.01 0.00 0.00 31.44 27.83 3dak n GLU 21 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3dak s VAL 22 N 0.28 4.18 -0.19 2.62 1.01 -1.26 -0.19 120.40 126.84 3dak s VAL 22 Ca 0.70 1.46 0.01 0.00 0.00 0.00 0.00 61.98 64.14 3dak s VAL 22 Cb -0.59 -3.94 -0.21 0.00 0.00 0.00 0.00 36.38 31.63 3dak s VAL 22 CO 0.45 -0.08 0.06 -0.38 0.00 0.00 0.00 175.10 175.14 3dak n ILE 23 N 5.11 1.60 -3.68 2.22 5.41 0.55 -4.97 119.36 125.60 3dak n ILE 23 Ca 0.13 -0.63 -0.11 0.00 1.00 0.00 0.00 62.75 63.13 3dak n ILE 23 Cb 0.45 -1.45 -0.09 0.00 -0.71 0.00 0.00 39.64 37.84 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 -6.03 -0.43 -0.03 7.39 0.00 -0.86 -4.98 107.32 102.37 3dak s GLY 24 Ca -0.27 1.72 0.01 0.00 0.00 0.00 0.00 44.72 46.19 3dak s GLY 24 CO 0.69 1.65 -0.05 -0.45 0.00 0.00 0.00 173.10 174.94 3dak s SER 25 N 0.87 0.90 0.17 1.64 0.15 -1.26 0.26 113.70 116.43 3dak s SER 25 Ca -0.05 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.50 3dak s SER 25 Cb -0.05 -0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 63.88 3dak s SER 25 CO -0.07 -0.02 0.08 0.61 1.20 0.00 0.00 173.24 175.04 3dak n GLY 26 N 3.77 3.67 3.70 9.45 0.00 0.50 -4.99 105.19 121.29 3dak n GLY 26 Ca -0.23 -1.93 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 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 -2.52 3.50 0.00 4.61 0.00 -1.26 -4.08 121.76 122.02 3dak s ALA 27 Ca 0.11 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3dak s ALA 27 Cb 0.01 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3dak s ALA 27 CO 0.08 -0.70 0.00 0.25 0.00 0.00 0.00 175.76 175.39 3dak n THR 28 N 4.37 0.00 -3.72 0.00 -2.24 -1.26 -5.00 114.28 106.43 3dak n THR 28 Ca 0.11 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 3dak n THR 28 Cb 0.45 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.58 3dak n THR 28 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dak s ALA 29 N -1.39 -1.00 -0.09 6.98 0.00 -1.26 0.69 121.76 125.69 3dak s ALA 29 Ca 0.00 1.26 0.02 0.00 0.00 0.00 0.00 51.96 53.24 3dak s ALA 29 Cb 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 3dak s ALA 29 CO 0.00 -0.21 -0.15 0.08 0.00 0.00 0.00 175.76 175.47 3dak s VAL 30 N 0.62 2.91 -0.24 0.00 1.01 -0.41 -0.37 120.40 123.92 3dak s VAL 30 Ca -0.03 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 3dak s VAL 30 Cb -0.05 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3dak s VAL 30 CO -0.04 0.55 0.12 -0.69 0.00 0.00 0.00 175.10 175.05 3dak s VAL 31 N -0.09 4.94 -0.03 2.92 1.01 0.14 -0.14 120.40 129.15 3dak s VAL 31 Ca -0.03 0.03 0.03 0.00 0.00 0.00 0.00 61.98 62.02 3dak s VAL 31 Cb -0.14 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3dak s VAL 31 CO 0.04 0.35 -0.11 -1.58 0.00 0.00 0.00 175.10 173.80 3dak s GLN 32 N 1.20 1.14 0.62 2.72 0.74 0.53 -0.33 119.66 126.28 3dak s GLN 32 Ca 0.06 -0.37 -0.18 0.00 0.05 0.00 0.00 55.36 54.93 3dak s GLN 32 Cb -0.14 -1.04 -0.02 0.00 1.10 0.00 0.00 33.01 32.90 3dak s GLN 32 CO 0.05 0.14 1.18 0.00 -0.55 0.00 0.00 175.29 176.10 3dak s ALA 33 N 0.18 2.48 -0.04 1.58 0.00 0.73 0.62 121.76 127.30 3dak s ALA 33 Ca -0.04 0.88 -0.16 0.00 0.00 0.00 0.00 51.96 52.65 3dak s ALA 33 Cb -0.09 -3.42 0.03 0.00 0.00 0.00 0.00 23.12 19.64 3dak s ALA 33 CO 0.01 -1.25 0.36 0.00 0.00 0.00 0.00 175.76 174.88 3dak s ALA 34 N -1.81 -0.90 -0.20 0.00 0.00 -0.09 -0.93 121.76 117.84 3dak s ALA 34 Ca 0.74 0.56 -0.15 0.00 0.00 0.00 0.00 51.96 53.11 3dak s ALA 34 Cb -0.28 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3dak s ALA 34 CO 0.36 -0.25 0.38 -0.47 0.00 0.00 0.00 175.76 175.77 3dak s TYR 35 N -1.01 3.38 -0.51 0.00 5.04 0.84 0.26 117.35 125.35 3dak s TYR 35 Ca -0.11 0.60 -0.14 0.00 -2.44 0.00 0.00 57.07 54.98 3dak s TYR 35 Cb -0.04 -2.50 0.12 0.00 0.35 0.00 0.00 41.96 39.89 3dak s TYR 35 CO 0.04 0.02 0.44 0.00 -1.34 0.00 0.00 175.55 174.72 3dak h ALA 37 N 8.77 -0.54 -0.87 0.00 0.00 -1.72 0.06 119.26 124.95 3dak h ALA 37 Ca -0.28 -0.09 0.19 0.00 0.00 0.00 0.00 54.91 54.73 3dak h ALA 37 Cb 1.10 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 19.15 3dak h ALA 37 CO 0.97 -0.83 0.58 -1.35 0.00 0.00 0.00 179.25 178.62 3dak h PRO 38 N -0.56 0.40 -0.00 0.00 0.11 -1.94 -0.66 132.00 129.35 3dak h PRO 38 Ca -0.02 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.07 3dak h PRO 38 Cb 0.49 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.51 3dak h PRO 38 CO -0.01 0.26 -0.46 1.63 -0.21 0.00 0.00 178.00 179.21 3dak n LYS 39 N -4.50 0.28 -4.01 1.05 4.76 -1.03 -4.95 118.16 109.76 3dak n LYS 39 Ca 0.18 -0.17 -0.28 0.00 -2.87 0.00 0.00 58.31 55.17 3dak n LYS 39 Cb 0.66 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 32.33 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 -1.21 -3.29 -3.85 1.97 5.02 -0.04 -4.97 118.16 111.80 3dak n LYS 40 Ca 0.08 0.40 -0.13 0.00 -2.02 0.00 0.00 58.31 56.63 3dak n LYS 40 Cb 0.34 -4.64 -0.14 0.00 -0.02 0.00 0.00 35.03 30.57 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 -6.65 -0.01 -0.28 1.97 2.12 -0.93 -5.00 118.70 109.92 3dak s GLU 41 Ca 0.16 0.04 -0.26 0.00 0.36 0.00 0.00 54.97 55.28 3dak s GLU 41 Cb -0.09 -0.06 0.00 0.00 0.26 0.00 0.00 34.13 34.25 3dak s GLU 41 CO 0.90 -0.04 0.89 0.21 -0.54 0.00 0.00 175.26 176.68 3dak s LYS 42 N 0.24 4.10 0.44 4.30 2.20 -1.26 -0.66 119.74 129.11 3dak s LYS 42 Ca -0.02 0.91 0.07 0.00 -0.36 0.00 0.00 55.97 56.56 3dak s LYS 42 Cb -0.03 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.57 3dak s LYS 42 CO -0.01 -0.66 0.22 0.14 -0.36 0.00 0.00 175.35 174.68 3dak s VAL 43 N 3.09 2.14 -0.13 4.02 -7.23 0.14 -4.29 120.40 118.14 3dak s VAL 43 Ca 0.37 -1.65 -0.04 0.00 -1.81 0.00 0.00 61.98 58.85 3dak s VAL 43 Cb -0.14 -2.79 -0.03 0.00 0.56 0.00 0.00 36.38 33.97 3dak s VAL 43 CO 0.10 0.00 0.01 0.00 -0.31 0.00 0.00 175.10 174.91 3dak s ALA 44 N -2.64 3.28 -0.18 1.32 0.00 -0.66 -0.91 121.76 121.98 3dak s ALA 44 Ca 0.38 -0.78 -0.01 0.00 0.00 0.00 0.00 51.96 51.54 3dak s ALA 44 Cb 0.02 -1.63 -0.00 0.00 0.00 0.00 0.00 23.12 21.51 3dak s ALA 44 CO 0.21 0.41 -0.12 0.42 0.00 0.00 0.00 175.76 176.69 3dak s ILE 45 N -0.32 2.92 -0.46 0.00 1.01 0.20 -1.55 121.20 123.01 3dak s ILE 45 Ca 0.07 -0.67 -0.20 0.00 0.00 0.00 0.00 60.65 59.85 3dak s ILE 45 Cb -0.12 -2.27 0.03 0.00 0.01 0.00 0.00 42.46 40.11 3dak s ILE 45 CO 0.02 0.49 0.64 -0.75 0.00 0.00 0.00 174.94 175.34 3dak s LYS 46 N 1.00 3.22 -0.32 2.79 2.20 -0.36 -0.34 119.74 127.93 3dak s LYS 46 Ca -0.01 -0.54 -0.16 0.00 -0.36 0.00 0.00 55.97 54.90 3dak s LYS 46 Cb -0.15 -4.00 -0.02 0.00 -1.51 0.00 0.00 37.83 32.16 3dak s LYS 46 CO -0.02 -1.08 0.41 1.03 -0.36 0.00 0.00 175.35 175.33 3dak s ARG 47 N 2.79 3.74 -0.18 4.03 0.52 0.80 -0.40 118.95 130.25 3dak s ARG 47 Ca 0.20 -0.18 -0.02 0.00 -0.52 0.00 0.00 55.73 55.21 3dak s ARG 47 Cb -0.16 -3.75 -0.01 0.00 0.52 0.00 0.00 34.95 31.55 3dak s ARG 47 CO 0.17 -0.47 -0.08 0.42 0.02 0.00 0.00 175.30 175.36 3dak s ILE 48 N 2.14 3.27 -0.56 1.52 1.01 0.39 -1.28 121.20 127.69 3dak s ILE 48 Ca 0.15 -0.55 -0.28 0.00 0.00 0.00 0.00 60.65 59.96 3dak s ILE 48 Cb -0.16 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 39.90 3dak s ILE 48 CO 0.11 0.47 1.20 0.21 0.00 0.00 0.00 174.94 176.94 3dak s ASN 49 N 0.92 6.47 0.24 3.58 3.84 0.22 -0.73 114.94 129.48 3dak s ASN 49 Ca -0.01 0.20 -0.06 0.00 0.21 0.00 0.00 52.86 53.20 3dak s ASN 49 Cb -0.15 -2.55 0.24 0.00 -0.55 0.00 0.00 41.25 38.24 3dak s ASN 49 CO 0.00 -1.45 1.80 -0.07 -2.79 0.00 0.00 177.10 174.60 3dak h LEU 50 N 11.85 1.01 0.39 3.21 3.38 -1.80 -0.14 115.31 133.22 3dak h LEU 50 Ca -0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.55 3dak h LEU 50 Cb 1.06 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3dak h LEU 50 CO 1.17 0.90 -0.19 -0.33 0.09 0.00 0.00 178.44 180.09 3dak h GLU 51 N 1.07 -0.51 -0.42 1.13 5.08 -1.78 -0.85 114.58 118.31 3dak h GLU 51 Ca 0.25 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.73 3dak h GLU 51 Cb 0.21 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3dak h GLU 51 CO -0.02 -0.23 0.29 0.87 -1.00 0.00 0.00 179.01 178.92 3dak h LYS 52 N -0.75 0.18 -0.02 2.33 1.57 -1.90 -0.40 116.57 117.59 3dak h LYS 52 Ca -0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3dak h LYS 52 Cb 0.51 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3dak h LYS 52 CO 0.09 0.12 0.00 0.00 -0.57 0.00 0.00 179.45 179.09 3dak n GLN 54 N -0.39 -5.17 -4.07 0.00 1.13 -0.16 -4.99 117.38 103.73 3dak n GLN 54 Ca 0.20 0.72 -0.13 0.00 -1.94 0.00 0.00 57.00 55.85 3dak n GLN 54 Cb 0.23 -5.45 -0.05 0.00 0.11 0.00 0.00 30.24 25.08 3dak n GLN 54 CO 0.00 0.00 0.00 -0.08 -1.44 0.00 0.00 177.06 175.54 3dak s THR 55 N -3.52 0.00 0.23 5.09 -1.32 -0.37 -5.04 115.64 110.70 3dak s THR 55 Ca 0.06 -1.57 -0.04 0.00 -1.21 0.00 0.00 61.69 58.92 3dak s THR 55 Cb -0.01 -2.55 -0.03 0.00 -1.51 0.00 0.00 72.50 68.40 3dak s THR 55 CO 0.78 0.00 0.26 -0.94 -2.21 0.00 0.00 174.62 172.51 3dak s SER 56 N -3.18 0.17 0.36 8.08 1.04 -1.26 -4.44 113.70 114.46 3dak s SER 56 Ca 0.29 -1.27 0.10 0.00 0.48 0.00 0.00 55.95 55.56 3dak s SER 56 Cb -0.00 0.47 0.67 0.00 0.10 0.00 0.00 66.02 67.25 3dak s SER 56 CO 0.17 -0.96 1.82 0.24 0.98 0.00 0.00 173.24 175.49 3dak h MET 57 N 2.46 0.14 0.05 4.02 2.86 -1.98 -2.85 114.93 119.63 3dak h MET 57 Ca -0.32 -0.05 0.02 0.00 -2.06 0.00 0.00 59.70 57.29 3dak h MET 57 Cb 1.25 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.87 3dak h MET 57 CO 0.46 0.44 -0.20 -0.44 1.06 0.00 0.00 176.91 178.23 3dak h ASP 58 N 0.12 -0.58 0.54 1.22 3.32 -2.01 -0.64 116.42 118.39 3dak h ASP 58 Ca 0.02 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3dak h ASP 58 Cb 0.61 0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3dak h ASP 58 CO 0.04 -0.28 0.00 -0.08 -1.72 0.00 0.00 179.24 177.21 3dak h GLU 59 N -0.36 0.00 0.00 3.56 4.81 -1.97 -3.16 114.58 117.47 3dak h GLU 59 Ca 0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3dak h GLU 59 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3dak h GLU 59 CO -0.15 0.00 -1.40 1.28 -0.73 0.00 0.00 179.01 178.01 3dak n LEU 60 N -2.74 0.40 -0.31 1.64 4.77 -0.90 -4.60 117.00 115.26 3dak n LEU 60 Ca -0.00 -0.23 0.06 0.00 -0.03 0.00 0.00 56.01 55.80 3dak n LEU 60 Cb 0.19 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.42 3dak n LEU 60 CO 0.21 0.10 0.71 0.25 -1.33 0.00 0.00 177.39 177.33 3dak h LEU 61 N 0.00 -0.74 -0.58 2.23 5.85 -1.10 -1.21 115.31 119.77 3dak h LEU 61 Ca 0.00 0.26 -0.15 0.00 0.84 0.00 0.00 57.88 58.83 3dak h LEU 61 Cb 0.66 0.52 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 3dak h LEU 61 CO 0.00 -0.29 -0.50 0.11 -0.34 0.00 0.00 178.44 177.42 3dak h LYS 62 N 0.01 0.55 -0.18 1.25 1.57 -1.83 -0.94 116.57 117.00 3dak h LYS 62 Ca 0.45 -0.32 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3dak h LYS 62 Cb 0.73 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.05 3dak h LYS 62 CO -0.89 0.92 0.02 0.93 -0.57 0.00 0.00 179.45 179.86 3dak h GLU 63 N 0.43 0.08 -0.17 3.15 4.39 -1.59 -1.03 114.58 119.85 3dak h GLU 63 Ca 0.02 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.70 3dak h GLU 63 Cb 1.03 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 3dak h GLU 63 CO 0.09 0.06 0.04 0.82 -1.16 0.00 0.00 179.01 178.86 3dak h ILE 64 N 0.09 1.20 -0.44 3.13 2.04 -0.90 -0.37 117.51 122.26 3dak h ILE 64 Ca 0.08 -0.63 0.09 0.00 1.00 0.00 0.00 64.86 65.41 3dak h ILE 64 Cb 0.09 1.30 -0.09 0.00 -0.74 0.00 0.00 36.82 37.37 3dak h ILE 64 CO -0.12 0.19 -0.26 -0.61 0.00 0.00 0.00 178.15 177.35 3dak h GLN 65 N 0.08 -0.17 -0.30 2.37 4.15 -1.22 -0.84 115.11 119.19 3dak h GLN 65 Ca 0.05 0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.51 3dak h GLN 65 Cb 0.25 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 3dak h GLN 65 CO 0.00 -0.11 0.14 0.00 -1.93 0.00 0.00 178.83 176.93 3dak h ALA 66 N 1.02 0.36 -0.74 3.38 0.00 -0.86 -2.80 119.26 119.62 3dak h ALA 66 Ca 0.20 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.28 3dak h ALA 66 Cb 0.49 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 3dak h ALA 66 CO -0.54 -0.24 0.22 0.52 0.00 0.00 0.00 179.25 179.20 3dak h MET 67 N 0.30 0.31 0.00 0.00 2.86 -0.59 -1.47 114.93 116.34 3dak h MET 67 Ca 0.12 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3dak h MET 67 Cb 0.05 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3dak h MET 67 CO -0.09 0.20 0.00 -1.13 1.06 0.00 0.00 176.91 176.95 3dak n SER 68 N -5.11 0.00 -0.02 1.22 3.41 -0.36 -3.21 113.62 109.55 3dak n SER 68 Ca 0.14 0.49 0.05 0.00 -0.26 0.00 0.00 58.87 59.29 3dak n SER 68 Cb 0.45 -0.50 -0.12 0.00 -0.26 0.00 0.00 64.21 63.78 3dak n SER 68 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dak n GLN 69 N -1.50 0.70 -3.35 4.33 6.02 -0.65 -4.92 117.38 118.02 3dak n GLN 69 Ca 0.05 -0.11 -0.45 0.00 -0.01 0.00 0.00 57.00 56.47 3dak n GLN 69 Cb 0.22 -1.37 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 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 1.34 1.73 -0.09 0.00 3.76 -1.26 -4.89 115.29 115.88 3dak s HIS 71 Ca 0.06 -0.68 -0.30 0.00 -0.15 0.00 0.00 55.06 53.99 3dak s HIS 71 Cb -0.27 -1.24 0.08 0.00 1.11 0.00 0.00 32.58 32.27 3dak s HIS 71 CO 0.01 -0.33 0.74 -1.58 -0.85 0.00 0.00 174.74 172.73 3dak s HIS 72 N 0.64 -0.62 0.50 1.40 5.04 -1.26 -5.04 115.29 115.94 3dak s HIS 72 Ca -0.15 1.13 0.21 0.00 -1.54 0.00 0.00 55.06 54.71 3dak s HIS 72 Cb -0.16 0.40 1.35 0.00 0.04 0.00 0.00 32.58 34.21 3dak s HIS 72 CO 0.04 -0.54 2.11 -1.35 -2.34 0.00 0.00 174.74 172.67 3dak h PRO 73 N 3.15 0.00 -0.68 2.88 0.11 -1.99 -2.07 132.00 133.39 3dak h PRO 73 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3dak h PRO 73 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3dak h PRO 73 CO 0.34 0.08 0.00 0.09 -0.21 0.00 0.00 178.00 178.30 3dak n ASN 74 N -4.16 3.96 -3.95 -2.05 4.13 -1.26 -4.70 115.26 107.23 3dak n ASN 74 Ca -0.03 -2.53 -0.26 0.00 1.68 0.00 0.00 54.58 53.45 3dak n ASN 74 Cb 0.16 -0.58 -0.17 0.00 -1.54 0.00 0.00 39.78 37.65 3dak n ASN 74 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3dak s ILE 75 N -2.05 1.05 -0.08 2.41 1.01 -0.78 -1.20 121.20 121.55 3dak s ILE 75 Ca 0.36 -0.35 -0.40 0.00 0.00 0.00 0.00 60.65 60.26 3dak s ILE 75 Cb 0.26 -1.02 -0.18 0.00 0.01 0.00 0.00 42.46 41.53 3dak s ILE 75 CO 0.13 0.36 1.36 0.52 0.00 0.00 0.00 174.94 177.31 3dak n VAL 76 N 4.50 0.05 -1.90 2.92 0.31 0.21 -4.51 118.33 119.91 3dak n VAL 76 Ca -0.17 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.73 3dak n VAL 76 Cb 0.51 -0.59 -0.03 0.00 -0.91 0.00 0.00 33.84 32.82 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 1.21 6.58 -0.14 4.52 0.01 -1.26 -4.94 113.70 119.67 3dak s SER 77 Ca 0.92 2.54 -0.11 0.00 1.31 0.00 0.00 55.95 60.61 3dak s SER 77 Cb -1.15 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 62.47 3dak s SER 77 CO 0.58 -0.89 0.21 -0.47 0.41 0.00 0.00 173.24 173.09 3dak s TYR 78 N 2.41 3.52 -0.14 2.43 5.04 -1.26 -1.40 117.35 127.95 3dak s TYR 78 Ca 0.74 0.55 -0.13 0.00 -2.44 0.00 0.00 57.07 55.79 3dak s TYR 78 Cb -0.41 -2.16 -0.06 0.00 0.35 0.00 0.00 41.96 39.68 3dak s TYR 78 CO 0.33 0.45 -0.27 0.66 -1.34 0.00 0.00 175.55 175.37 3dak n TYR 79 N 2.87 0.00 -3.84 4.97 4.01 0.16 -4.96 117.16 120.37 3dak n TYR 79 Ca -0.16 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.52 3dak n TYR 79 Cb 0.53 -0.49 0.02 0.00 -0.31 0.00 0.00 39.34 39.09 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 -2.62 0.00 -0.02 -0.72 -1.32 -1.07 -4.73 115.64 105.16 3dak s THR 80 Ca -0.24 -0.84 -0.24 0.00 -1.21 0.00 0.00 61.69 59.16 3dak s THR 80 Cb 0.05 -2.85 0.05 0.00 -1.51 0.00 0.00 72.50 68.24 3dak s THR 80 CO 0.34 0.00 0.53 -0.94 -2.21 0.00 0.00 174.62 172.35 3dak s SER 81 N -3.19 -0.47 0.20 8.08 1.04 -1.26 -1.53 113.70 116.57 3dak s SER 81 Ca 0.18 0.41 -0.22 0.00 0.48 0.00 0.00 55.95 56.79 3dak s SER 81 Cb -0.04 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.59 3dak s SER 81 CO 0.09 -0.58 0.66 0.72 0.98 0.00 0.00 173.24 175.11 3dak s PHE 82 N -1.49 -0.39 -0.16 5.02 -0.71 -1.05 -4.99 117.98 114.21 3dak s PHE 82 Ca -0.11 0.08 -0.12 0.00 -1.04 0.00 0.00 56.93 55.74 3dak s PHE 82 Cb -0.02 0.62 -0.05 0.00 -1.21 0.00 0.00 43.02 42.37 3dak s PHE 82 CO 0.06 -1.00 0.24 0.08 -1.34 0.00 0.00 175.22 173.26 3dak s VAL 83 N -3.80 5.34 -0.26 -2.49 1.01 -1.26 -1.12 120.40 117.81 3dak s VAL 83 Ca 0.05 0.44 0.03 0.00 0.00 0.00 0.00 61.98 62.51 3dak s VAL 83 Cb -0.03 -3.58 0.06 0.00 0.00 0.00 0.00 36.38 32.84 3dak s VAL 83 CO -0.05 0.43 -0.10 -0.69 0.00 0.00 0.00 175.10 174.69 3dak s VAL 84 N 0.27 2.16 0.00 2.92 1.01 0.94 -4.97 120.40 122.73 3dak s VAL 84 Ca 0.14 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.46 3dak s VAL 84 Cb -0.13 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 33.96 3dak s VAL 84 CO 0.03 -0.06 0.00 0.29 0.00 0.00 0.00 175.10 175.36 3dak n LYS 85 N 4.43 0.00 -0.04 2.72 5.02 -1.26 -0.66 118.16 128.37 3dak n LYS 85 Ca -0.13 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.27 3dak n LYS 85 Cb 0.42 0.00 0.49 0.00 -0.02 0.00 0.00 35.03 35.92 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 7.52 1.01 -4.39 4.39 5.68 -1.26 -4.94 116.55 124.56 3dak n ASP 86 Ca 0.00 -1.54 -0.32 0.00 -0.50 0.00 0.00 54.79 52.43 3dak n ASP 86 Cb 0.00 -0.05 -0.14 0.00 -1.14 0.00 0.00 41.12 39.78 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 -1.90 2.43 -0.33 0.11 2.02 0.17 -2.51 118.70 118.68 3dak s GLU 87 Ca 0.33 -0.80 -0.24 0.00 0.02 0.00 0.00 54.97 54.28 3dak s GLU 87 Cb 0.17 -2.26 0.01 0.00 0.10 0.00 0.00 34.13 32.15 3dak s GLU 87 CO 0.27 0.55 0.85 -1.17 0.02 0.00 0.00 175.26 175.78 3dak s LEU 88 N -0.57 4.06 -0.23 1.80 2.96 0.10 -0.04 118.68 126.76 3dak s LEU 88 Ca 0.08 0.62 -0.16 0.00 -0.22 0.00 0.00 54.13 54.45 3dak s LEU 88 Cb -0.11 -3.16 -0.03 0.00 0.50 0.00 0.00 46.19 43.39 3dak s LEU 88 CO 0.01 -0.72 0.44 0.26 -1.32 0.00 0.00 176.35 175.01 3dak s TRP 89 N 3.17 3.31 -0.30 5.38 0.52 -0.28 -0.46 118.94 130.29 3dak s TRP 89 Ca 0.35 0.59 -0.09 0.00 0.02 0.00 0.00 56.10 56.96 3dak s TRP 89 Cb -0.13 -2.61 -0.01 0.00 -1.15 0.00 0.00 33.47 29.57 3dak s TRP 89 CO 0.15 -0.15 0.14 -0.51 0.02 0.00 0.00 176.95 176.61 3dak s LEU 90 N 1.80 4.02 -0.26 2.99 1.43 0.46 -2.51 118.68 126.61 3dak s LEU 90 Ca 0.19 -0.45 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 3dak s LEU 90 Cb -0.15 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.02 3dak s LEU 90 CO 0.09 -0.16 0.23 -0.69 0.23 0.00 0.00 176.35 176.04 3dak s VAL 91 N 1.62 5.30 0.22 -1.59 1.01 -0.58 -1.22 120.40 125.15 3dak s VAL 91 Ca 0.05 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 3dak s VAL 91 Cb -0.17 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3dak s VAL 91 CO 0.06 0.27 0.20 0.00 0.00 0.00 0.00 175.10 175.62 3dak s MET 92 N 1.54 1.30 0.32 2.72 0.23 -0.59 0.39 119.30 125.21 3dak s MET 92 Ca 0.09 -1.61 -0.29 0.00 -1.03 0.00 0.00 55.69 52.85 3dak s MET 92 Cb -0.15 0.31 -0.11 0.00 -1.53 0.00 0.00 34.83 33.34 3dak s MET 92 CO 0.08 -0.45 1.55 0.21 -2.03 0.00 0.00 175.02 174.38 3dak s LYS 93 N -4.06 4.12 -0.21 3.16 2.20 -0.49 -1.65 119.74 122.80 3dak s LYS 93 Ca 0.37 2.57 -0.25 0.00 -0.36 0.00 0.00 55.97 58.30 3dak s LYS 93 Cb 0.05 -3.00 -0.01 0.00 -1.51 0.00 0.00 37.83 33.36 3dak s LYS 93 CO 0.13 -0.59 0.84 -1.17 -0.36 0.00 0.00 175.35 174.19 3dak s LEU 94 N -1.10 4.12 -0.64 5.43 2.96 -1.26 -4.40 118.68 123.78 3dak s LEU 94 Ca 0.59 1.10 0.05 0.00 -0.22 0.00 0.00 54.13 55.65 3dak s LEU 94 Cb -0.47 -3.22 0.16 0.00 0.50 0.00 0.00 46.19 43.16 3dak s LEU 94 CO 0.54 -0.47 0.42 -0.76 -1.32 0.00 0.00 176.35 174.75 3dak s LEU 95 N 2.55 4.57 0.42 -0.68 2.01 -1.26 -4.94 118.68 121.35 3dak s LEU 95 Ca 0.37 -3.57 0.16 0.00 0.01 0.00 0.00 54.13 51.10 3dak s LEU 95 Cb -0.16 -1.60 0.94 0.00 0.01 0.00 0.00 46.19 45.38 3dak s LEU 95 CO 0.09 -0.13 1.92 0.77 1.01 0.00 0.00 176.35 180.01 3dak h SER 96 N 5.76 0.00 0.00 2.29 4.64 -1.94 -1.86 113.55 122.44 3dak h SER 96 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3dak h SER 96 Cb 0.80 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3dak h SER 96 CO 0.70 0.26 0.23 0.61 -0.87 0.00 0.00 176.83 177.76 3dak n GLY 97 N -0.66 -0.41 7.00 -0.77 0.00 -1.26 -4.90 105.19 104.19 3dak n GLY 97 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.29 -0.01 3.61 -0.02 0.00 -0.70 -4.75 105.19 102.03 3dak n GLY 98 Ca -0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 46.02 44.77 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 -4.00 3.90 0.44 1.61 1.04 -1.26 -0.74 113.70 114.70 3dak s SER 99 Ca 0.00 -1.30 0.11 0.00 0.48 0.00 0.00 55.95 55.24 3dak s SER 99 Cb 0.00 -0.40 0.99 0.00 0.10 0.00 0.00 66.02 66.71 3dak s SER 99 CO 0.00 -0.40 2.06 0.58 0.98 0.00 0.00 173.24 176.46 3dak h VAL 100 N 1.80 1.09 -0.44 5.02 2.07 -0.62 -2.97 116.25 122.19 3dak h VAL 100 Ca -0.43 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.78 3dak h VAL 100 Cb 1.24 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3dak h VAL 100 CO 0.77 0.10 0.15 0.25 0.02 0.00 0.00 177.57 178.86 3dak h LEU 101 N 0.26 0.64 -0.88 2.57 6.46 -1.81 -1.11 115.31 121.44 3dak h LEU 101 Ca 0.07 -0.20 0.17 0.00 -0.12 0.00 0.00 57.88 57.80 3dak h LEU 101 Cb 0.07 -0.17 -0.10 0.00 -0.73 0.00 0.00 40.66 39.73 3dak h LEU 101 CO -0.01 0.66 0.45 0.44 -0.62 0.00 0.00 178.44 179.37 3dak h ASP 102 N 0.57 0.52 0.06 1.25 3.32 -1.87 0.97 116.42 121.24 3dak h ASP 102 Ca 0.14 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.30 3dak h ASP 102 Cb 0.25 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3dak h ASP 102 CO -0.01 0.17 -0.03 0.40 -1.72 0.00 0.00 179.24 178.06 3dak h ILE 103 N 0.59 1.12 -0.48 0.35 2.04 -1.43 -2.17 117.51 117.53 3dak h ILE 103 Ca 0.50 -0.64 0.10 0.00 1.00 0.00 0.00 64.86 65.82 3dak h ILE 103 Cb 0.79 1.55 -0.10 0.00 -0.74 0.00 0.00 36.82 38.32 3dak h ILE 103 CO -0.41 0.16 -0.17 0.40 0.00 0.00 0.00 178.15 178.13 3dak h ILE 104 N -0.37 0.43 -0.52 -0.67 2.04 -0.41 -0.98 117.51 117.02 3dak h ILE 104 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 3dak h ILE 104 Cb 0.33 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3dak h ILE 104 CO 0.01 0.00 0.15 0.11 0.00 0.00 0.00 178.15 178.43 3dak h LYS 105 N -0.06 0.78 -0.07 2.37 1.57 -0.84 -0.59 116.57 119.73 3dak h LYS 105 Ca 0.23 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3dak h LYS 105 Cb 0.42 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3dak h LYS 105 CO -0.53 0.68 0.03 1.25 -0.57 0.00 0.00 179.45 180.32 3dak h HIS 106 N 0.76 0.09 -0.37 -1.35 2.76 -0.65 0.90 115.15 117.29 3dak h HIS 106 Ca 0.17 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3dak h HIS 106 Cb 0.24 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 3dak h HIS 106 CO 0.01 0.16 0.23 0.82 -1.30 0.00 0.00 177.93 177.86 3dak h ILE 107 N -0.01 1.12 -0.24 6.26 2.04 -0.73 -0.72 117.51 125.23 3dak h ILE 107 Ca 0.02 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.63 3dak h ILE 107 Cb 0.11 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3dak h ILE 107 CO -0.00 0.12 0.13 0.58 0.00 0.00 0.00 178.15 178.98 3dak h VAL 108 N 0.49 1.02 -0.97 1.67 2.07 -1.11 -0.95 116.25 118.47 3dak h VAL 108 Ca 0.13 -0.09 0.09 0.00 0.82 0.00 0.00 66.70 67.65 3dak h VAL 108 Cb -0.01 0.72 -0.08 0.00 -1.52 0.00 0.00 31.29 30.40 3dak h VAL 108 CO -0.03 0.05 0.61 0.00 0.02 0.00 0.00 177.57 178.22 3dak h ALA 109 N 1.11 1.40 0.00 1.67 0.00 -0.41 0.95 119.26 123.97 3dak h ALA 109 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3dak h ALA 109 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3dak h ALA 109 CO -0.05 0.29 0.00 0.87 0.00 0.00 0.00 179.25 180.37 3dak h LYS 110 N 1.03 0.00 -0.25 0.00 1.57 -0.91 -3.47 116.57 114.54 3dak h LYS 110 Ca 0.45 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.19 3dak h LYS 110 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3dak h LYS 110 CO -0.22 0.00 -0.05 0.41 -0.57 0.00 0.00 179.45 179.02 3dak n GLY 111 N 0.29 0.31 1.26 3.86 0.00 0.33 -4.96 105.19 106.28 3dak n GLY 111 Ca 0.03 -0.83 0.08 0.00 0.00 0.00 0.00 46.02 45.30 3dak n GLY 111 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dak n GLU 112 N -1.33 3.51 -0.19 1.61 2.13 -0.42 -4.52 120.64 121.42 3dak n GLU 112 Ca -0.02 -2.77 0.11 0.00 0.66 0.00 0.00 57.16 55.15 3dak n GLU 112 Cb 0.48 -1.82 0.21 0.00 0.27 0.00 0.00 31.44 30.58 3dak n GLU 112 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 3dak n HIS 113 N 0.47 0.51 0.34 4.31 1.44 -1.25 -4.60 115.22 116.44 3dak n HIS 113 Ca 0.22 -0.27 0.13 0.00 -2.01 0.00 0.00 57.72 55.79 3dak n HIS 113 Cb 0.85 -0.00 0.33 0.00 0.12 0.00 0.00 29.99 31.29 3dak n HIS 113 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 3dak h LYS 114 N 4.30 0.00 -0.25 -1.40 1.57 -1.95 -2.45 116.57 116.39 3dak h LYS 114 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3dak h LYS 114 Cb 0.96 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.27 3dak h LYS 114 CO 0.00 0.00 -0.00 0.43 -0.57 0.00 0.00 179.45 179.31 3dak n SER 115 N -2.83 3.72 0.00 0.86 7.64 -1.26 -4.66 113.62 117.09 3dak n SER 115 Ca 0.04 -3.06 0.00 0.00 1.01 0.00 0.00 58.87 56.86 3dak n SER 115 Cb 0.45 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 3dak n SER 115 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dak n GLY 116 N -0.61 3.13 0.00 0.23 0.00 -0.92 -4.67 105.19 102.35 3dak n GLY 116 Ca 0.22 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.91 0.00 -3.49 1.61 0.31 0.53 -4.27 118.33 112.11 3dak n VAL 117 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 63.96 3dak n VAL 117 Cb 0.00 -0.56 -0.06 0.00 -0.91 0.00 0.00 33.84 32.31 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 -1.70 4.45 0.74 7.52 1.43 -0.65 -4.98 118.68 125.50 3dak s LEU 118 Ca 0.00 0.97 -0.11 0.00 -1.03 0.00 0.00 54.13 53.96 3dak s LEU 118 Cb 0.00 -2.72 0.03 0.00 0.03 0.00 0.00 46.19 43.53 3dak s LEU 118 CO 0.00 0.28 1.07 1.51 0.23 0.00 0.00 176.35 179.45 3dak s ASP 119 N -1.24 4.98 0.29 2.29 1.47 -1.26 -4.63 116.67 118.58 3dak s ASP 119 Ca 0.27 1.57 0.04 0.00 1.18 0.00 0.00 52.55 55.61 3dak s ASP 119 Cb -0.16 -2.39 0.68 0.00 -0.34 0.00 0.00 42.92 40.71 3dak s ASP 119 CO 0.15 -1.69 1.76 -0.33 0.68 0.00 0.00 175.17 175.74 3dak h GLU 120 N -0.89 0.67 -0.47 2.11 5.08 -1.98 -0.97 114.58 118.12 3dak h GLU 120 Ca -0.45 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 57.74 3dak h GLU 120 Cb 1.23 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3dak h GLU 120 CO 0.56 0.44 -0.24 0.66 -1.00 0.00 0.00 179.01 179.44 3dak h SER 121 N 0.69 1.03 0.51 1.42 4.64 -1.93 -1.33 113.55 118.57 3dak h SER 121 Ca 0.54 -0.40 -0.16 0.00 -0.47 0.00 0.00 61.79 61.30 3dak h SER 121 Cb 0.85 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.64 3dak h SER 121 CO -0.39 1.21 -0.71 0.00 -0.87 0.00 0.00 176.83 176.07 3dak h THR 122 N 0.85 1.45 -0.41 2.95 1.03 -1.67 -1.38 112.91 115.72 3dak h THR 122 Ca 0.10 -2.27 -0.02 0.00 -0.01 0.00 0.00 66.41 64.22 3dak h THR 122 Cb 0.82 2.21 -0.02 0.00 -1.07 0.00 0.00 68.15 70.09 3dak h THR 122 CO 0.07 0.66 0.17 0.40 -0.01 0.00 0.00 175.52 176.81 3dak h ILE 123 N 0.11 1.19 -0.81 0.00 2.04 -1.21 -2.29 117.51 116.55 3dak h ILE 123 Ca -0.02 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.22 3dak h ILE 123 Cb 1.25 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 3dak h ILE 123 CO 0.10 0.22 0.37 0.00 0.00 0.00 0.00 178.15 178.84 3dak h ALA 124 N 1.02 1.04 0.06 1.87 0.00 -1.09 -0.41 119.26 121.75 3dak h ALA 124 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3dak h ALA 124 Cb 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3dak h ALA 124 CO -0.01 0.62 -0.03 1.15 0.00 0.00 0.00 179.25 180.98 3dak h THR 125 N 1.15 1.04 0.26 0.00 2.02 -1.23 -2.14 112.91 114.01 3dak h THR 125 Ca 0.28 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 3dak h THR 125 Cb 0.14 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3dak h THR 125 CO -0.03 0.09 -0.13 0.40 0.37 0.00 0.00 175.52 176.22 3dak h ILE 126 N -0.24 0.79 0.00 3.11 2.04 -1.26 -3.17 117.51 118.78 3dak h ILE 126 Ca -0.01 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 3dak h ILE 126 Cb 0.21 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3dak h ILE 126 CO 0.01 0.08 -0.49 -0.07 0.00 0.00 0.00 178.15 177.68 3dak h LEU 127 N -0.54 0.00 -0.52 1.44 3.38 -1.16 -1.91 115.31 116.01 3dak h LEU 127 Ca -0.04 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3dak h LEU 127 Cb 0.40 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.08 3dak h LEU 127 CO 0.06 0.49 0.15 -0.09 0.09 0.00 0.00 178.44 179.14 3dak h ARG 128 N 0.00 0.30 -0.52 1.13 2.43 -1.42 0.10 114.38 116.40 3dak h ARG 128 Ca -0.00 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 3dak h ARG 128 Cb 0.93 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 3dak h ARG 128 CO 0.06 0.20 -0.03 0.93 -1.51 0.00 0.00 179.97 179.62 3dak h GLU 129 N 0.31 0.91 -0.49 0.20 4.39 -1.34 -2.02 114.58 116.54 3dak h GLU 129 Ca 0.26 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 3dak h GLU 129 Cb 0.31 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3dak h GLU 129 CO -0.29 0.93 0.19 0.28 -1.16 0.00 0.00 179.01 178.96 3dak h VAL 130 N 0.84 1.21 -0.90 3.13 2.07 -0.98 -2.37 116.25 119.25 3dak h VAL 130 Ca 0.15 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.04 3dak h VAL 130 Cb 0.54 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 3dak h VAL 130 CO 0.03 0.25 0.59 -0.07 0.02 0.00 0.00 177.57 178.39 3dak h LEU 131 N 0.65 1.01 -0.59 2.57 3.38 -0.62 0.05 115.31 121.76 3dak h LEU 131 Ca 0.16 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3dak h LEU 131 Cb 0.20 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 3dak h LEU 131 CO -0.01 0.72 0.32 -0.33 0.09 0.00 0.00 178.44 179.22 3dak h GLU 132 N 1.18 0.82 -0.43 1.13 4.39 -1.24 0.16 114.58 120.60 3dak h GLU 132 Ca 0.34 -0.10 -0.06 0.00 0.34 0.00 0.00 59.36 59.88 3dak h GLU 132 Cb -0.08 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 3dak h GLU 132 CO -0.09 0.63 0.03 0.78 -1.16 0.00 0.00 179.01 179.21 3dak h GLY 133 N 0.79 0.80 1.07 -3.84 0.00 -0.87 -2.36 103.07 98.67 3dak h GLY 133 Ca 0.21 -0.56 -0.11 0.00 0.00 0.00 0.00 47.33 46.86 3dak h GLY 133 CO -0.03 0.52 -0.10 1.41 0.00 0.00 0.00 176.54 178.34 3dak h LEU 134 N 0.59 0.99 -1.16 3.11 3.38 -0.91 -2.44 115.31 118.87 3dak h LEU 134 Ca 0.13 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 3dak h LEU 134 Cb 0.44 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 3dak h LEU 134 CO 0.02 1.11 0.32 -0.08 0.09 0.00 0.00 178.44 179.90 3dak h GLU 135 N 0.85 0.90 -0.37 1.13 4.81 -0.57 0.84 114.58 122.18 3dak h GLU 135 Ca 0.13 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 3dak h GLU 135 Cb 0.66 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 3dak h GLU 135 CO 0.05 0.69 0.11 -0.92 -0.73 0.00 0.00 179.01 178.20 3dak h TYR 136 N 0.91 0.60 -0.43 0.92 3.20 -1.11 -1.34 116.97 119.71 3dak h TYR 136 Ca 0.23 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3dak h TYR 136 Cb 0.07 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 3dak h TYR 136 CO 0.01 0.58 0.13 -0.07 -1.64 0.00 0.00 178.16 177.16 3dak h LEU 137 N 0.44 0.63 -0.41 2.82 3.38 -0.97 -3.08 115.31 118.13 3dak h LEU 137 Ca 0.12 -0.21 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 3dak h LEU 137 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3dak h LEU 137 CO -0.00 0.68 -0.42 0.45 0.09 0.00 0.00 178.44 179.23 3dak h HIS 138 N 0.56 1.07 -0.24 1.13 3.86 -0.76 -0.18 115.15 120.59 3dak h HIS 138 Ca 0.14 -0.33 0.07 0.00 -1.16 0.00 0.00 60.37 59.09 3dak h HIS 138 Cb 0.28 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 3dak h HIS 138 CO 0.01 1.15 0.21 0.87 0.86 0.00 0.00 177.93 181.03 3dak h LYS 139 N 0.71 0.00 -0.57 2.45 1.57 -1.24 -2.33 116.57 117.16 3dak h LYS 139 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3dak h LYS 139 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 3dak h LYS 139 CO 0.10 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.07 3dak n ASN 140 N -4.12 3.93 -0.31 0.86 3.02 -0.75 -4.94 115.26 112.94 3dak n ASN 140 Ca 0.03 -2.21 -0.04 0.00 -0.03 0.00 0.00 54.58 52.32 3dak n ASN 140 Cb 0.36 -0.45 -0.02 0.00 -0.61 0.00 0.00 39.78 39.06 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 1.02 0.69 3.93 7.41 0.00 -0.88 -5.02 105.19 112.34 3dak n GLY 141 Ca 0.21 -0.62 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.98 3.35 0.01 1.61 -1.52 -0.15 -5.01 119.66 115.97 3dak s GLN 142 Ca 0.00 -0.68 0.05 0.00 -1.95 0.00 0.00 55.36 52.78 3dak s GLN 142 Cb 0.00 -2.89 -0.02 0.00 -0.22 0.00 0.00 33.01 29.88 3dak s GLN 142 CO 0.00 0.49 -0.15 0.42 -0.25 0.00 0.00 175.29 175.81 3dak s ILE 143 N -1.80 1.16 -0.11 1.08 1.01 -1.26 -3.75 121.20 117.52 3dak s ILE 143 Ca 0.34 -0.80 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 3dak s ILE 143 Cb -0.10 -1.00 -0.11 0.00 0.01 0.00 0.00 42.46 41.26 3dak s ILE 143 CO 0.28 0.19 0.35 -0.74 0.00 0.00 0.00 174.94 175.01 3dak h HIS 144 N 5.39 -0.02 0.00 3.97 -0.00 -1.96 -3.45 115.15 119.08 3dak h HIS 144 Ca -0.36 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 3dak h HIS 144 Cb 1.17 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 3dak h HIS 144 CO 0.46 0.39 0.00 0.54 -0.00 0.00 0.00 177.93 179.32 3dak n ARG 145 N -4.73 0.00 -2.75 5.26 1.74 -1.26 -4.67 116.66 110.25 3dak n ARG 145 Ca -0.04 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.93 3dak n ARG 145 Cb 0.20 -0.49 0.03 0.00 -1.02 0.00 0.00 32.46 31.17 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 0.00 1.12 -4.68 0.55 2.03 -1.26 -4.93 116.55 109.38 3dak n ASP 146 Ca 0.00 -2.76 -0.42 0.00 0.52 0.00 0.00 54.79 52.13 3dak n ASP 146 Cb 0.00 -0.44 -0.03 0.00 -0.72 0.00 0.00 41.12 39.94 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 -2.80 4.77 0.10 5.18 1.01 -1.26 -4.84 120.40 122.57 3dak s VAL 147 Ca 0.29 1.98 -0.26 0.00 0.00 0.00 0.00 61.98 63.99 3dak s VAL 147 Cb 0.44 -4.29 0.08 0.00 0.00 0.00 0.00 36.38 32.61 3dak s VAL 147 CO 0.01 -0.04 0.91 -1.59 0.00 0.00 0.00 175.10 174.39 3dak s LYS 148 N 2.35 1.08 0.30 2.72 -2.85 -1.26 -4.60 119.74 117.49 3dak s LYS 148 Ca 0.46 -0.53 0.02 0.00 -1.00 0.00 0.00 55.97 54.92 3dak s LYS 148 Cb -0.17 0.41 0.59 0.00 -2.06 0.00 0.00 37.83 36.60 3dak s LYS 148 CO 0.14 -0.49 1.87 0.00 0.10 0.00 0.00 175.35 176.97 3dak h ALA 149 N 2.00 1.57 0.00 0.59 0.00 -1.94 -2.20 119.26 119.29 3dak h ALA 149 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3dak h ALA 149 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3dak h ALA 149 CO 0.28 0.22 0.00 0.41 0.00 0.00 0.00 179.25 180.16 3dak n GLY 150 N -1.38 -1.04 0.76 0.00 0.00 -1.26 -1.40 105.19 100.86 3dak n GLY 150 Ca 0.17 0.15 0.07 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.25 3.11 -4.34 1.61 3.02 -0.83 -4.84 115.26 110.74 3dak n ASN 151 Ca 0.00 -2.02 -0.40 0.00 -0.03 0.00 0.00 54.58 52.13 3dak n ASN 151 Cb 0.12 -0.28 -0.11 0.00 -0.61 0.00 0.00 39.78 38.90 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 -1.03 4.42 0.09 2.41 1.01 -0.50 -0.43 121.20 127.18 3dak s ILE 152 Ca 0.28 -0.99 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3dak s ILE 152 Cb 0.15 -3.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 3dak s ILE 152 CO 0.18 -0.28 0.22 -0.76 0.00 0.00 0.00 174.94 174.31 3dak s LEU 153 N 1.51 4.31 -0.11 2.97 1.43 0.46 -0.21 118.68 129.05 3dak s LEU 153 Ca 0.02 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.35 3dak s LEU 153 Cb -0.20 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.13 3dak s LEU 153 CO 0.05 0.13 -0.16 -0.76 0.23 0.00 0.00 176.35 175.85 3dak s LEU 154 N -2.73 1.76 0.39 1.79 1.43 0.08 -0.90 118.68 120.50 3dak s LEU 154 Ca 0.34 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.83 3dak s LEU 154 Cb -0.12 -1.10 -0.10 0.00 0.03 0.00 0.00 46.19 44.89 3dak s LEU 154 CO 0.28 0.03 0.86 -0.83 0.23 0.00 0.00 176.35 176.92 3dak s GLY 155 N 0.91 2.34 0.43 -3.19 0.00 -0.16 -4.07 107.32 103.58 3dak s GLY 155 Ca -0.08 0.23 0.26 0.00 0.00 0.00 0.00 44.72 45.13 3dak s GLY 155 CO -0.00 0.48 1.68 -2.09 0.00 0.00 0.00 173.10 173.17 3dak h GLU 156 N 1.99 0.19 0.00 2.90 4.81 -1.97 -1.39 114.58 121.11 3dak h GLU 156 Ca -0.48 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3dak h GLU 156 Cb 1.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3dak h GLU 156 CO 0.63 0.12 0.00 -0.40 -0.73 0.00 0.00 179.01 178.63 3dak n ASP 157 N -4.64 0.00 0.00 1.04 5.75 -1.26 -4.86 116.55 112.58 3dak n ASP 157 Ca 0.32 -1.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 3dak n ASP 157 Cb 1.23 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 41.32 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 0.20 3.75 6.12 0.00 -0.52 -5.06 105.19 110.37 3dak n GLY 158 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.20 5.44 -0.17 1.61 1.04 -1.25 -4.76 113.70 113.42 3dak s SER 159 Ca 0.00 2.67 0.01 0.00 0.48 0.00 0.00 55.95 59.11 3dak s SER 159 Cb 0.00 -2.63 0.01 0.00 0.10 0.00 0.00 66.02 63.50 3dak s SER 159 CO 0.00 -1.44 -0.19 -0.69 0.98 0.00 0.00 173.24 171.89 3dak s VAL 160 N -1.36 2.18 -0.02 5.02 1.01 -1.26 -0.98 120.40 124.99 3dak s VAL 160 Ca 0.70 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.78 3dak s VAL 160 Cb -0.38 -1.91 0.01 0.00 0.00 0.00 0.00 36.38 34.10 3dak s VAL 160 CO 0.45 0.53 -0.03 -1.10 0.00 0.00 0.00 175.10 174.95 3dak s GLN 161 N 1.10 0.45 -0.04 2.72 -0.21 -0.08 -4.39 119.66 119.21 3dak s GLN 161 Ca 0.00 -0.10 -0.23 0.00 0.02 0.00 0.00 55.36 55.05 3dak s GLN 161 Cb -0.14 -0.49 -0.04 0.00 1.00 0.00 0.00 33.01 33.34 3dak s GLN 161 CO -0.08 0.01 0.69 0.42 -2.12 0.00 0.00 175.29 174.21 3dak s ILE 162 N 0.36 4.99 0.35 1.08 1.01 -0.34 -0.40 121.20 128.25 3dak s ILE 162 Ca -0.04 1.44 0.06 0.00 0.00 0.00 0.00 60.65 62.11 3dak s ILE 162 Cb -0.07 -4.03 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 3dak s ILE 162 CO -0.00 0.29 0.50 0.00 0.00 0.00 0.00 174.94 175.72 3dak s ALA 163 N 0.56 4.20 -0.10 9.38 0.00 0.43 -0.62 121.76 135.61 3dak s ALA 163 Ca 0.37 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.90 3dak s ALA 163 Cb -0.18 -1.73 0.00 0.00 0.00 0.00 0.00 23.12 21.21 3dak s ALA 163 CO 0.19 -0.09 0.00 -0.25 0.00 0.00 0.00 175.76 175.61 3dak n ASP 164 N -1.70 -3.37 -4.68 0.00 8.00 -1.26 -4.91 116.55 108.63 3dak n ASP 164 Ca 0.00 0.02 -0.43 0.00 0.71 0.00 0.00 54.79 55.10 3dak n ASP 164 Cb 0.58 -0.95 -0.01 0.00 -0.02 0.00 0.00 41.12 40.72 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 -2.89 2.08 0.00 1.24 7.35 -1.26 -1.39 117.46 122.59 3dak n PHE 165 Ca -0.01 0.58 0.00 0.00 -0.76 0.00 0.00 57.45 57.26 3dak n PHE 165 Cb 0.07 -2.38 0.00 0.00 0.35 0.00 0.00 39.48 37.52 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 0.89 0.66 0.21 7.13 0.00 -1.26 -4.53 105.19 108.28 3dak n GLY 166 Ca 0.06 -1.05 -0.07 0.00 0.00 0.00 0.00 46.02 44.96 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 0.54 -0.37 1.61 2.07 -1.81 -1.70 116.25 116.60 3dak h VAL 167 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3dak h VAL 167 Cb 0.00 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3dak h VAL 167 CO 0.00 0.00 0.07 0.28 0.02 0.00 0.00 177.57 177.94 3dak h SER 168 N -0.11 0.58 -0.45 0.57 0.02 -1.80 -0.79 113.55 111.57 3dak h SER 168 Ca 0.15 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 60.78 3dak h SER 168 Cb 0.35 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 3dak h SER 168 CO -0.36 0.68 0.03 0.00 -1.14 0.00 0.00 176.83 176.04 3dak h ALA 169 N 0.92 1.09 0.02 3.77 0.00 -1.06 0.80 119.26 124.81 3dak h ALA 169 Ca 0.11 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3dak h ALA 169 Cb 0.34 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 3dak h ALA 169 CO 0.00 0.58 -0.25 0.35 0.00 0.00 0.00 179.25 179.93 3dak h PHE 170 N 0.79 -0.68 -0.17 0.00 3.57 -0.98 -2.65 116.94 116.83 3dak h PHE 170 Ca 0.16 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.48 3dak h PHE 170 Cb 0.43 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.47 3dak h PHE 170 CO 0.02 -0.35 -0.70 -0.07 -2.23 0.00 0.00 178.31 174.99 3dak h LEU 171 N -0.40 0.83 -1.85 0.59 3.38 -1.00 -1.72 115.31 115.14 3dak h LEU 171 Ca 0.06 -0.51 0.04 0.00 0.09 0.00 0.00 57.88 57.56 3dak h LEU 171 Cb 0.48 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3dak h LEU 171 CO -0.21 1.29 0.20 0.00 0.09 0.00 0.00 178.44 179.81 3dak h ALA 172 N 0.71 2.03 -0.52 1.53 0.00 -0.80 -2.71 119.26 119.49 3dak h ALA 172 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3dak h ALA 172 Cb 1.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dak h ALA 172 CO 0.14 -0.08 0.00 0.25 0.00 0.00 0.00 179.25 179.56 3dak n THR 173 N -4.49 1.64 0.00 0.00 -2.24 -1.00 -4.96 114.28 103.23 3dak n THR 173 Ca 0.03 -1.25 0.00 0.00 -2.27 0.00 0.00 64.05 60.56 3dak n THR 173 Cb 0.22 0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 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 0.76 3.10 5.00 3.38 0.00 -1.02 -4.83 105.19 111.58 3dak n GLY 174 Ca 0.22 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 1.28 7.00 -0.02 0.00 -0.65 -4.90 105.19 107.90 3dak n GLY 175 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3dak n GLY 175 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dak n ASP 176 N 3.07 0.00 -0.88 1.61 8.00 -1.26 -5.08 116.55 122.01 3dak n ASP 176 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3dak n ASP 176 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3dak n ASP 176 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3dak n THR 185 N 0.00 0.00 -0.80 -3.53 -1.04 -1.26 -5.27 114.28 102.39 3dak n THR 185 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3dak n THR 185 Cb 0.00 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 3dak n THR 185 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3dak n PHE 186 N 0.99 -0.71 -2.89 -1.42 1.16 -1.26 -5.19 117.46 108.14 3dak n PHE 186 Ca 0.00 0.42 -0.34 0.00 -1.87 0.00 0.00 57.45 55.66 3dak n PHE 186 Cb 0.00 -2.25 -0.07 0.00 -1.61 0.00 0.00 39.48 35.56 3dak n PHE 186 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3dak s VAL 187 N -0.07 4.42 0.00 1.97 1.01 -1.26 -5.00 120.40 121.46 3dak s VAL 187 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.43 3dak s VAL 187 Cb 0.00 -3.72 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3dak s VAL 187 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.56 3dak n GLY 188 N -0.21 2.89 3.66 4.51 0.00 -1.26 -5.03 105.19 109.75 3dak n GLY 188 Ca 0.04 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 3dak n GLY 188 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dak s THR 189 N -2.93 4.85 0.00 2.61 -1.32 -1.26 -4.97 115.64 112.62 3dak s THR 189 Ca 0.00 1.63 0.00 0.00 -1.21 0.00 0.00 61.69 62.11 3dak s THR 189 Cb 0.00 -4.14 0.00 0.00 -1.51 0.00 0.00 72.50 66.85 3dak s THR 189 CO 0.00 -0.02 1.75 -0.81 -2.21 0.00 0.00 174.62 173.33 3dak n PRO 190 N 5.58 0.95 0.27 7.08 -0.04 -1.26 -4.54 135.00 143.04 3dak n PRO 190 Ca 0.05 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.63 3dak n PRO 190 Cb 0.48 -1.03 0.74 0.00 -0.04 0.00 0.00 33.50 33.66 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 -3.94 0.00 -2.21 0.00 8.01 -1.26 -5.00 117.44 113.03 3dak n TRP 192 Ca -0.02 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.75 3dak n TRP 192 Cb 0.17 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.44 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 -2.29 4.39 0.55 -0.99 1.75 -0.62 -4.99 119.30 117.09 3dak s MET 193 Ca 0.18 2.06 -0.20 0.00 -1.25 0.00 0.00 55.69 56.48 3dak s MET 193 Cb 0.17 -3.19 -0.05 0.00 2.84 0.00 0.00 34.83 34.60 3dak s MET 193 CO 0.51 -0.25 1.21 0.00 -0.65 0.00 0.00 175.02 175.83 3dak s ALA 194 N 0.08 2.70 0.25 4.11 0.00 -1.26 -4.82 121.76 122.82 3dak s ALA 194 Ca 0.57 1.02 -0.04 0.00 0.00 0.00 0.00 51.96 53.51 3dak s ALA 194 Cb -0.37 -3.44 0.39 0.00 0.00 0.00 0.00 23.12 19.70 3dak s ALA 194 CO 0.39 -1.04 1.82 -1.35 0.00 0.00 0.00 175.76 175.58 3dak h PRO 195 N 1.27 0.83 0.00 0.00 0.11 -1.98 0.72 132.00 132.95 3dak h PRO 195 Ca -0.50 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.52 3dak h PRO 195 Cb 1.28 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3dak h PRO 195 CO 0.57 0.55 -0.19 1.05 -0.21 0.00 0.00 178.00 179.76 3dak h GLU 196 N 0.86 0.00 0.05 1.05 9.09 -1.99 0.28 114.58 123.92 3dak h GLU 196 Ca 0.40 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.65 3dak h GLU 196 Cb 0.32 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.43 3dak h GLU 196 CO -0.23 0.19 -0.63 0.28 0.05 0.00 0.00 179.01 178.68 3dak h VAL 197 N 0.00 1.48 -0.94 -1.06 2.07 -1.31 -3.01 116.25 113.48 3dak h VAL 197 Ca -0.00 -2.23 0.05 0.00 0.82 0.00 0.00 66.70 65.34 3dak h VAL 197 Cb 0.48 2.84 -0.06 0.00 -1.52 0.00 0.00 31.29 33.02 3dak h VAL 197 CO 0.03 0.64 0.60 0.24 0.02 0.00 0.00 177.57 179.10 3dak h MET 198 N -0.25 1.09 -0.79 1.57 2.86 -0.56 -1.06 114.93 117.78 3dak h MET 198 Ca -0.09 -0.07 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3dak h MET 198 Cb 1.39 -0.25 -0.04 0.00 0.06 0.00 0.00 31.60 32.77 3dak h MET 198 CO 0.12 0.72 0.52 1.49 1.06 0.00 0.00 176.91 180.82 3dak h GLU 199 N 1.12 1.02 -0.50 1.72 4.57 -0.53 -0.41 114.58 121.57 3dak h GLU 199 Ca 0.40 -0.06 -0.13 0.00 -1.18 0.00 0.00 59.36 58.38 3dak h GLU 199 Cb 0.11 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 3dak h GLU 199 CO -0.15 0.67 -0.20 0.37 -1.18 0.00 0.00 179.01 178.52 3dak h GLN 200 N 1.05 1.01 -0.31 1.92 4.15 -1.29 -3.20 115.11 118.44 3dak h GLN 200 Ca 0.30 -0.42 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 3dak h GLN 200 Cb -0.09 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3dak h GLN 200 CO -0.08 1.11 0.14 0.28 -1.93 0.00 0.00 178.83 178.35 3dak h VAL 201 N 0.88 1.17 -4.33 2.39 2.07 -0.98 -3.42 116.25 114.02 3dak h VAL 201 Ca 0.12 -0.49 -0.51 0.00 0.82 0.00 0.00 66.70 66.63 3dak h VAL 201 Cb 0.78 0.92 0.09 0.00 -1.52 0.00 0.00 31.29 31.56 3dak h VAL 201 CO 0.06 0.17 0.37 0.00 0.02 0.00 0.00 177.57 178.20 3dak s ARG 202 N -5.64 3.02 0.00 1.57 1.70 -0.18 -4.84 118.95 114.58 3dak s ARG 202 Ca -0.13 0.96 0.00 0.00 -0.47 0.00 0.00 55.73 56.09 3dak s ARG 202 Cb 0.09 -2.00 0.00 0.00 -0.57 0.00 0.00 34.95 32.47 3dak s ARG 202 CO 0.73 -1.03 0.00 0.41 -1.08 0.00 0.00 175.30 174.33 3dak n GLY 203 N -1.97 0.84 3.38 3.88 0.00 -1.26 -4.87 105.19 105.19 3dak n GLY 203 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 0.36 1.05 0.00 1.61 -0.85 -1.26 -4.81 117.35 113.44 3dak s TYR 204 Ca 0.00 -1.25 0.00 0.00 -0.52 0.00 0.00 57.07 55.30 3dak s TYR 204 Cb 0.00 -0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.05 3dak s TYR 204 CO 0.00 -0.89 0.00 -0.40 -1.52 0.00 0.00 175.55 172.74 3dak n ASP 205 N -0.80 0.00 0.27 -0.18 5.68 -1.26 -5.01 116.55 115.25 3dak n ASP 205 Ca 0.02 -0.99 0.16 0.00 -0.50 0.00 0.00 54.79 53.49 3dak n ASP 205 Cb 0.63 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 41.40 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 0.99 0.00 -0.19 2.11 -0.00 -1.97 -0.94 116.94 116.94 3dak h PHE 206 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.02 3dak h PHE 206 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 35.94 3dak h PHE 206 CO 0.00 0.00 0.17 0.87 -0.00 0.00 0.00 178.31 179.35 3dak h LYS 207 N 0.00 0.00 -0.51 6.09 1.79 -1.95 -1.56 116.57 120.43 3dak h LYS 207 Ca 0.05 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 3dak h LYS 207 Cb 0.78 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.41 3dak h LYS 207 CO -0.00 0.00 0.34 0.00 -1.08 0.00 0.00 179.45 178.71 3dak h ALA 208 N 1.85 1.68 -0.23 3.86 0.00 -1.55 -2.01 119.26 122.86 3dak h ALA 208 Ca 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3dak h ALA 208 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3dak h ALA 208 CO -0.00 0.28 -0.08 -0.44 0.00 0.00 0.00 179.25 179.01 3dak h ASP 209 N 0.64 0.35 -0.53 0.00 3.32 -1.50 -2.66 116.42 116.05 3dak h ASP 209 Ca 0.19 -0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.05 3dak h ASP 209 Cb -0.01 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3dak h ASP 209 CO -0.05 0.48 -0.14 0.40 -1.72 0.00 0.00 179.24 178.22 3dak h ILE 210 N 0.35 1.27 0.40 0.35 1.08 -1.45 0.28 117.51 119.79 3dak h ILE 210 Ca 0.07 -1.30 -0.02 0.00 -0.39 0.00 0.00 64.86 63.22 3dak h ILE 210 Cb 0.37 1.00 0.00 0.00 -3.07 0.00 0.00 36.82 35.12 3dak h ILE 210 CO 0.02 0.46 -0.19 -0.25 -0.69 0.00 0.00 178.15 177.49 3dak h TRP 211 N 0.91 -0.50 -0.81 1.37 2.91 -1.40 -1.28 115.95 117.15 3dak h TRP 211 Ca 0.13 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.21 3dak h TRP 211 Cb 0.71 0.16 -0.06 0.00 -0.51 0.00 0.00 29.16 29.46 3dak h TRP 211 CO 0.05 -0.31 0.48 0.77 -1.03 0.00 0.00 178.44 178.41 3dak h SER 212 N -0.54 0.74 -0.53 2.65 0.02 -1.16 -0.05 113.55 114.67 3dak h SER 212 Ca -0.05 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.03 3dak h SER 212 Cb 0.42 -0.12 -0.10 0.00 0.14 0.00 0.00 62.40 62.73 3dak h SER 212 CO 0.09 0.46 -0.13 0.15 -1.14 0.00 0.00 176.83 176.26 3dak h PHE 213 N 0.87 -0.27 -0.53 3.45 3.57 -0.38 0.02 116.94 123.66 3dak h PHE 213 Ca 0.36 0.05 -0.04 0.00 3.53 0.00 0.00 57.97 61.87 3dak h PHE 213 Cb 0.22 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 3dak h PHE 213 CO -0.05 -0.23 0.16 0.78 -2.23 0.00 0.00 178.31 176.75 3dak h GLY 214 N 0.00 0.85 1.10 2.40 0.00 0.20 -0.73 103.07 106.89 3dak h GLY 214 Ca 0.25 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 3dak h GLY 214 CO -0.54 0.43 -0.08 -2.22 0.00 0.00 0.00 176.54 174.14 3dak h ILE 215 N 0.77 1.27 -0.83 2.60 1.08 -1.11 -2.67 117.51 118.62 3dak h ILE 215 Ca 0.18 -1.24 0.00 0.00 -0.39 0.00 0.00 64.86 63.41 3dak h ILE 215 Cb 0.24 0.90 -0.04 0.00 -3.07 0.00 0.00 36.82 34.85 3dak h ILE 215 CO -0.01 0.44 0.53 0.74 -0.69 0.00 0.00 178.15 179.16 3dak h THR 216 N 0.95 1.22 -0.57 -0.27 2.02 -0.44 -1.86 112.91 113.96 3dak h THR 216 Ca 0.15 -0.44 0.07 0.00 0.77 0.00 0.00 66.41 66.97 3dak h THR 216 Cb 0.65 0.03 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 3dak h THR 216 CO 0.04 0.22 0.25 0.00 0.37 0.00 0.00 175.52 176.40 3dak h ALA 217 N 1.29 0.73 -0.37 6.16 0.00 -0.98 -1.80 119.26 124.30 3dak h ALA 217 Ca 0.30 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.30 3dak h ALA 217 Cb -0.09 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3dak h ALA 217 CO -0.06 -0.14 0.16 0.82 0.00 0.00 0.00 179.25 180.03 3dak h ILE 218 N 0.46 0.94 -0.87 0.00 2.04 -1.12 -2.78 117.51 116.18 3dak h ILE 218 Ca 0.27 -0.11 0.07 0.00 1.00 0.00 0.00 64.86 66.09 3dak h ILE 218 Cb 0.26 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 3dak h ILE 218 CO -0.24 0.06 0.56 -0.08 0.00 0.00 0.00 178.15 178.46 3dak h GLU 219 N 0.33 0.91 -0.18 2.37 4.81 -1.16 -0.17 114.58 121.49 3dak h GLU 219 Ca 0.16 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.19 3dak h GLU 219 Cb 0.10 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3dak h GLU 219 CO -0.14 0.60 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.19 3dak h LEU 220 N 0.93 0.52 0.17 1.64 3.38 -1.15 0.28 115.31 121.08 3dak h LEU 220 Ca 0.38 -0.25 -0.32 0.00 0.09 0.00 0.00 57.88 57.78 3dak h LEU 220 Cb 0.27 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.89 3dak h LEU 220 CO -0.15 0.92 -1.53 0.00 0.09 0.00 0.00 178.44 177.77 3dak h ALA 221 N 1.10 0.12 0.00 1.53 0.00 -1.23 -1.73 119.26 119.05 3dak h ALA 221 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.91 3dak h ALA 221 Cb 0.98 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3dak h ALA 221 CO 0.09 0.99 -0.83 0.25 0.00 0.00 0.00 179.25 179.74 3dak n THR 222 N -3.56 0.00 0.00 0.00 -2.24 -0.10 -0.35 114.28 108.04 3dak n THR 222 Ca -0.17 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3dak n THR 222 Cb 1.06 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 70.01 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 1.50 3.21 3.32 3.38 0.00 0.99 -4.79 105.19 112.81 3dak n GLY 223 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.80 -0.63 0.44 4.61 0.00 -1.18 -4.90 121.76 117.31 3dak s ALA 224 Ca 0.00 -0.33 -0.24 0.00 0.00 0.00 0.00 51.96 51.39 3dak s ALA 224 Cb 0.00 0.68 -0.08 0.00 0.00 0.00 0.00 23.12 23.73 3dak s ALA 224 CO 0.00 -0.63 1.21 0.00 0.00 0.00 0.00 175.76 176.34 3dak s ALA 225 N -3.85 3.07 0.31 0.00 0.00 -1.26 -3.20 121.76 116.83 3dak s ALA 225 Ca 0.06 1.04 0.08 0.00 0.00 0.00 0.00 51.96 53.14 3dak s ALA 225 Cb 0.02 -3.42 0.86 0.00 0.00 0.00 0.00 23.12 20.59 3dak s ALA 225 CO -0.09 -0.71 1.69 -1.35 0.00 0.00 0.00 175.76 175.30 3dak h PRO 226 N 2.30 0.38 -0.88 0.00 0.10 -1.90 -1.06 132.00 130.95 3dak h PRO 226 Ca -0.49 -0.02 -0.38 0.00 0.10 0.00 0.00 66.00 65.20 3dak h PRO 226 Cb 1.25 -0.09 -0.23 0.00 0.10 0.00 0.00 31.00 32.03 3dak h PRO 226 CO 0.61 0.25 0.48 0.66 0.10 0.00 0.00 178.00 180.10 3dak n TYR 227 N -5.04 2.77 0.07 0.65 4.01 -1.26 -3.55 117.16 114.82 3dak n TYR 227 Ca 0.26 -1.58 0.18 0.00 -0.16 0.00 0.00 57.90 56.61 3dak n TYR 227 Cb 0.77 -0.83 0.71 0.00 -0.31 0.00 0.00 39.34 39.68 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 1.70 0.00 -0.00 -0.72 2.07 -1.56 -2.47 115.15 114.17 3dak h HIS 228 Ca 0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.99 3dak h HIS 228 Cb 2.63 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.61 3dak h HIS 228 CO 1.46 0.00 -0.01 1.63 -3.07 0.00 0.00 177.93 177.94 3dak n LYS 229 N -4.24 0.59 -3.96 5.12 5.02 -1.26 -4.86 118.16 114.57 3dak n LYS 229 Ca 0.07 -0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.99 3dak n LYS 229 Cb 0.50 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.96 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 -2.43 3.48 0.82 2.13 1.51 -0.93 -5.11 117.35 116.82 3dak s TYR 230 Ca 0.33 0.33 -0.15 0.00 -1.01 0.00 0.00 57.07 56.57 3dak s TYR 230 Cb 0.21 -1.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.24 3dak s TYR 230 CO 0.44 0.63 0.50 -2.30 -1.11 0.00 0.00 175.55 173.71 3dak n PRO 231 N 1.10 0.06 -0.31 -1.71 -0.02 -1.26 -4.73 135.00 128.13 3dak n PRO 231 Ca -0.12 0.07 0.08 0.00 -2.02 0.00 0.00 63.50 61.50 3dak n PRO 231 Cb 0.53 -1.87 0.29 0.00 -0.02 0.00 0.00 33.50 32.43 3dak n PRO 231 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3dak h PRO 232 N -0.88 0.88 0.07 0.52 0.11 -1.99 -2.31 132.00 128.40 3dak h PRO 232 Ca -0.45 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.37 3dak h PRO 232 Cb 1.32 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3dak h PRO 232 CO 0.39 0.58 -1.10 0.52 -0.21 0.00 0.00 178.00 178.18 3dak h MET 233 N 0.90 0.22 -0.07 1.05 2.86 -2.01 -3.16 114.93 114.73 3dak h MET 233 Ca 0.44 -0.33 -0.04 0.00 -2.06 0.00 0.00 59.70 57.72 3dak h MET 233 Cb 0.46 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 3dak h MET 233 CO -0.20 1.12 -0.13 -0.22 1.06 0.00 0.00 176.91 178.54 3dak h LYS 234 N 0.08 0.10 -0.43 1.72 3.64 -1.81 -2.71 116.57 117.17 3dak h LYS 234 Ca -0.09 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.22 3dak h LYS 234 Cb 1.81 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.60 3dak h LYS 234 CO 0.17 0.24 0.07 0.28 -2.27 0.00 0.00 179.45 177.94 3dak h VAL 235 N 0.10 1.24 -0.16 2.00 2.07 -1.40 -0.77 116.25 119.33 3dak h VAL 235 Ca 0.02 -0.88 0.04 0.00 0.82 0.00 0.00 66.70 66.70 3dak h VAL 235 Cb 0.29 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 3dak h VAL 235 CO 0.02 0.31 -0.10 -0.07 0.02 0.00 0.00 177.57 177.74 3dak h LEU 236 N 0.56 -0.33 0.20 2.57 3.38 -1.53 -2.13 115.31 118.04 3dak h LEU 236 Ca 0.13 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3dak h LEU 236 Cb 0.37 0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3dak h LEU 236 CO 0.01 -0.14 -0.10 0.24 0.09 0.00 0.00 178.44 178.54 3dak h MET 237 N -0.10 -0.26 -0.67 1.13 2.86 -1.31 -1.03 114.93 115.55 3dak h MET 237 Ca 0.10 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.86 3dak h MET 237 Cb 0.24 0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.89 3dak h MET 237 CO -0.23 0.00 0.28 -0.07 1.06 0.00 0.00 176.91 177.96 3dak h LEU 238 N -0.52 0.31 -0.36 1.22 3.38 -1.20 0.30 115.31 118.45 3dak h LEU 238 Ca -0.03 0.08 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 3dak h LEU 238 Cb 0.39 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3dak h LEU 238 CO 0.05 0.17 -0.43 0.74 0.09 0.00 0.00 178.44 179.06 3dak h THR 239 N 0.48 1.27 -0.01 0.22 2.02 -1.31 -1.65 112.91 113.93 3dak h THR 239 Ca 0.34 -1.61 -0.16 0.00 0.77 0.00 0.00 66.41 65.75 3dak h THR 239 Cb 0.42 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3dak h THR 239 CO -0.31 0.53 -0.75 -0.07 0.37 0.00 0.00 175.52 175.29 3dak h LEU 240 N 0.74 0.09 0.00 2.58 3.38 -0.91 -3.34 115.31 117.85 3dak h LEU 240 Ca 0.05 -0.06 -0.25 0.00 0.09 0.00 0.00 57.88 57.70 3dak h LEU 240 Cb 1.03 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.71 3dak h LEU 240 CO 0.10 0.80 -1.55 1.56 0.09 0.00 0.00 178.44 179.45 3dak h GLN 241 N 0.04 0.00 -6.20 1.13 4.20 -0.44 -3.48 115.11 110.37 3dak h GLN 241 Ca -0.02 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.18 3dak h GLN 241 Cb 1.32 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 29.05 3dak h GLN 241 CO 0.10 0.49 -0.54 -0.80 -0.67 0.00 0.00 178.83 177.41 3dak s ASN 242 N -6.08 5.40 0.77 1.46 0.01 -0.62 -5.07 114.94 110.81 3dak s ASN 242 Ca -0.04 -0.30 -0.16 0.00 -0.71 0.00 0.00 52.86 51.65 3dak s ASN 242 Cb 0.08 -1.33 -0.08 0.00 0.41 0.00 0.00 41.25 40.33 3dak s ASN 242 CO 0.82 -0.03 0.06 0.47 -1.51 0.00 0.00 177.10 176.90 3dak n ASP 243 N -1.13 -2.99 -4.69 -1.22 8.00 -1.26 -4.81 116.55 108.45 3dak n ASP 243 Ca -0.08 0.47 -0.36 0.00 0.71 0.00 0.00 54.79 55.54 3dak n ASP 243 Cb 0.58 -1.03 0.09 0.00 -0.02 0.00 0.00 41.12 40.74 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 0.38 0.75 -2.22 -0.24 -0.02 -1.26 -4.95 135.00 127.44 3dak n PRO 244 Ca 0.06 0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 61.51 3dak n PRO 244 Cb 0.51 -2.42 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 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 -3.50 3.30 0.46 0.52 0.04 -1.26 -5.05 135.00 129.51 3dak s PRO 245 Ca 0.78 1.63 0.07 0.00 0.04 0.00 0.00 61.00 63.52 3dak s PRO 245 Cb -0.35 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.21 3dak s PRO 245 CO 0.45 -0.90 0.63 -1.54 0.04 0.00 0.00 177.00 175.69 3dak s SER 246 N -1.77 5.52 0.32 6.66 1.04 -1.26 -5.00 113.70 119.21 3dak s SER 246 Ca 0.73 -0.36 0.10 0.00 0.48 0.00 0.00 55.95 56.90 3dak s SER 246 Cb -0.24 -0.64 0.90 0.00 0.10 0.00 0.00 66.02 66.14 3dak s SER 246 CO 0.28 -0.90 1.73 0.25 0.98 0.00 0.00 173.24 175.59 3dak h LEU 247 N 0.47 0.67 -1.46 2.42 6.46 -1.96 -2.86 115.31 119.04 3dak h LEU 247 Ca -0.40 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 57.49 3dak h LEU 247 Cb 1.28 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 3dak h LEU 247 CO 0.46 0.11 0.00 -0.62 -0.62 0.00 0.00 178.44 177.77 3dak n GLU 248 N -4.86 1.99 -0.33 1.25 4.71 -1.26 -4.52 120.64 117.62 3dak n GLU 248 Ca 0.27 -1.45 -0.04 0.00 -0.01 0.00 0.00 57.16 55.93 3dak n GLU 248 Cb 0.75 -1.46 0.09 0.00 -1.01 0.00 0.00 31.44 29.80 3dak n GLU 248 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 177.13 179.01 3dak h THR 249 N 3.31 1.24 -0.24 2.62 1.35 -1.85 -2.87 112.91 116.48 3dak h THR 249 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 3dak h THR 249 Cb 0.71 -0.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 3dak h THR 249 CO 0.00 0.25 0.00 0.61 -0.25 0.00 0.00 175.52 176.13 3dak n GLY 250 N -1.25 2.04 3.00 5.82 0.00 -1.23 -4.85 105.19 108.72 3dak n GLY 250 Ca 0.09 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 3dak n GLY 250 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dak s VAL 251 N -1.71 1.15 -0.07 1.61 1.01 -1.08 -5.01 120.40 116.29 3dak s VAL 251 Ca 0.22 -0.46 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 3dak s VAL 251 Cb 0.17 -1.07 -0.30 0.00 0.00 0.00 0.00 36.38 35.18 3dak s VAL 251 CO 0.07 0.37 0.65 1.56 0.00 0.00 0.00 175.10 177.74 3dak h GLN 252 N 7.25 0.34 -6.04 2.72 4.20 -1.88 -3.41 115.11 118.29 3dak h GLN 252 Ca -0.31 -0.58 -0.52 0.00 0.06 0.00 0.00 58.65 57.30 3dak h GLN 252 Cb 1.17 0.21 -0.08 0.00 0.30 0.00 0.00 27.48 29.09 3dak h GLN 252 CO 0.46 1.28 1.28 0.34 -0.67 0.00 0.00 178.83 181.52 3dak s ASP 253 N -7.19 6.11 0.00 1.46 2.15 -1.26 -4.83 116.67 113.11 3dak s ASP 253 Ca -0.17 -1.12 0.15 0.00 0.43 0.00 0.00 52.55 51.84 3dak s ASP 253 Cb 0.05 -2.57 0.88 0.00 -0.30 0.00 0.00 42.92 40.98 3dak s ASP 253 CO 0.82 -1.85 1.35 0.29 -0.17 0.00 0.00 175.17 175.61 3dak n LYS 254 N 8.93 0.42 0.00 4.34 4.01 -1.26 -1.40 118.16 133.20 3dak n LYS 254 Ca 0.32 0.03 0.10 0.00 -0.51 0.00 0.00 58.31 58.25 3dak n LYS 254 Cb 0.50 -1.50 0.07 0.00 -0.51 0.00 0.00 35.03 33.59 3dak n LYS 254 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3dak n GLU 255 N -1.07 1.66 -0.17 1.97 2.13 -1.26 -4.65 120.64 119.25 3dak n GLU 255 Ca 0.10 -1.53 -0.02 0.00 0.66 0.00 0.00 57.16 56.38 3dak n GLU 255 Cb 0.07 -1.37 0.06 0.00 0.27 0.00 0.00 31.44 30.47 3dak n GLU 255 CO 0.00 0.00 0.00 1.98 -0.41 0.00 0.00 177.13 178.70 3dak h MET 256 N 3.51 0.06 -0.72 5.31 4.05 -1.50 -2.64 114.93 123.01 3dak h MET 256 Ca 0.00 -0.00 -0.30 0.00 -0.28 0.00 0.00 59.70 59.11 3dak h MET 256 Cb 0.78 -0.01 -0.18 0.00 -0.80 0.00 0.00 31.60 31.38 3dak h MET 256 CO 0.00 0.04 0.32 1.28 0.23 0.00 0.00 176.91 178.78 3dak n LEU 257 N -5.31 5.75 0.25 3.39 7.99 -1.26 -4.18 117.00 123.63 3dak n LEU 257 Ca 0.06 -3.47 0.15 0.00 -0.01 0.00 0.00 56.01 52.74 3dak n LEU 257 Cb 0.30 -0.74 0.81 0.00 -0.11 0.00 0.00 43.42 43.67 3dak n LEU 257 CO 0.11 0.98 0.99 0.50 -1.51 0.00 0.00 177.39 178.47 3dak h LYS 258 N 1.64 0.00 0.00 3.23 3.64 -1.77 -1.75 116.57 121.56 3dak h LYS 258 Ca 0.37 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.62 3dak h LYS 258 Cb 2.33 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 34.12 3dak h LYS 258 CO 0.76 0.00 -0.91 -0.22 -2.27 0.00 0.00 179.45 176.81 3dak h LYS 259 N 0.00 0.00 -6.22 1.90 3.64 -1.85 -3.45 116.57 110.59 3dak h LYS 259 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 3dak h LYS 259 Cb 0.19 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 3dak h LYS 259 CO 0.00 0.42 0.79 0.71 -2.27 0.00 0.00 179.45 179.10 3dak s TYR 260 N -2.95 3.08 0.00 1.91 1.51 -0.66 -5.00 117.35 115.24 3dak s TYR 260 Ca 0.01 1.17 0.00 0.00 -1.01 0.00 0.00 57.07 57.24 3dak s TYR 260 Cb 0.08 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.50 3dak s TYR 260 CO 0.78 -1.34 0.00 0.41 -1.11 0.00 0.00 175.55 174.29 3dak n GLY 261 N 3.45 1.15 0.14 0.71 0.00 -1.26 -4.92 105.19 104.45 3dak n GLY 261 Ca 0.12 -1.99 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 3dak n GLY 261 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3dak h LYS 262 N 0.00 0.36 -0.86 1.61 3.64 -1.99 -2.70 116.57 116.63 3dak h LYS 262 Ca 0.00 -0.15 -0.03 0.00 -1.27 0.00 0.00 60.65 59.21 3dak h LYS 262 Cb 0.00 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3dak h LYS 262 CO 0.00 0.65 0.44 0.66 -2.27 0.00 0.00 179.45 178.92 3dak h SER 263 N 0.05 1.10 -0.34 4.20 4.64 -1.98 -0.08 113.55 121.14 3dak h SER 263 Ca 0.04 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.23 3dak h SER 263 Cb 0.53 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.32 3dak h SER 263 CO 0.02 0.91 0.17 0.15 -0.87 0.00 0.00 176.83 177.22 3dak h PHE 264 N 1.22 0.48 -0.45 4.77 3.57 -1.93 -0.23 116.94 124.36 3dak h PHE 264 Ca 0.30 -0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.69 3dak h PHE 264 Cb 0.08 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 3dak h PHE 264 CO 0.01 0.40 -0.06 0.00 -2.23 0.00 0.00 178.31 176.43 3dak h ARG 265 N 0.41 0.84 -0.09 1.11 3.08 -1.18 -1.31 114.38 117.24 3dak h ARG 265 Ca 0.12 -0.30 0.01 0.00 0.07 0.00 0.00 59.98 59.87 3dak h ARG 265 Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 3dak h ARG 265 CO -0.02 0.92 0.04 0.87 -1.07 0.00 0.00 179.97 180.72 3dak h LYS 266 N 0.68 0.10 -0.40 0.04 1.57 -0.96 -1.55 116.57 116.05 3dak h LYS 266 Ca 0.12 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.98 3dak h LYS 266 Cb 0.59 -0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.79 3dak h LYS 266 CO 0.04 0.06 -0.16 1.98 -0.57 0.00 0.00 179.45 180.80 3dak h MET 267 N 0.10 -0.08 -0.59 3.15 4.05 -0.94 -1.67 114.93 118.95 3dak h MET 267 Ca 0.04 0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 3dak h MET 267 Cb 0.01 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 3dak h MET 267 CO -0.03 -0.05 0.21 0.82 0.23 0.00 0.00 176.91 178.09 3dak h ILE 268 N -0.08 1.23 0.00 1.77 2.04 -1.00 -2.84 117.51 118.64 3dak h ILE 268 Ca 0.20 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3dak h ILE 268 Cb 0.38 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 3dak h ILE 268 CO -0.46 0.29 -0.12 0.77 0.00 0.00 0.00 178.15 178.63 3dak h SER 269 N 0.82 0.00 -0.37 1.72 4.64 -1.06 -0.10 113.55 119.20 3dak h SER 269 Ca 0.19 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.44 3dak h SER 269 Cb 0.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3dak h SER 269 CO -0.01 0.12 -0.05 -0.07 -0.87 0.00 0.00 176.83 175.96 3dak h LEU 270 N 0.00 0.69 -0.33 5.97 3.38 -1.06 -3.24 115.31 120.72 3dak h LEU 270 Ca -0.00 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 57.46 3dak h LEU 270 Cb 0.56 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 3dak h LEU 270 CO 0.02 0.86 -0.46 0.00 0.09 0.00 0.00 178.44 178.94 3dak n LEU 272 N -4.05 7.23 -4.26 0.00 4.77 -0.09 -3.96 117.00 116.64 3dak n LEU 272 Ca -0.03 -4.58 -0.32 0.00 -0.03 0.00 0.00 56.01 51.05 3dak n LEU 272 Cb 0.59 -1.49 -0.16 0.00 -2.33 0.00 0.00 43.42 40.02 3dak n LEU 272 CO 0.49 1.55 -0.56 -1.10 -1.33 0.00 0.00 177.39 176.45 3dak s GLN 273 N 0.76 2.66 0.51 3.23 -0.21 -1.26 -4.75 119.66 120.61 3dak s GLN 273 Ca 0.47 -0.89 0.16 0.00 0.02 0.00 0.00 55.36 55.12 3dak s GLN 273 Cb 0.13 -2.20 1.25 0.00 1.00 0.00 0.00 33.01 33.20 3dak s GLN 273 CO -0.04 0.34 2.14 0.87 -2.12 0.00 0.00 175.29 176.48 3dak h LYS 274 N 6.19 0.03 -4.45 2.91 1.79 -1.96 -3.39 116.57 117.68 3dak h LYS 274 Ca -0.29 -0.00 -0.72 0.00 -2.18 0.00 0.00 60.65 57.45 3dak h LYS 274 Cb 1.19 -0.01 -0.22 0.00 -1.58 0.00 0.00 32.23 31.62 3dak h LYS 274 CO 0.47 0.02 -0.41 0.34 -1.08 0.00 0.00 179.45 178.79 3dak s ASP 275 N -7.01 6.10 0.34 0.86 2.15 -1.26 -4.97 116.67 112.89 3dak s ASP 275 Ca -0.05 -1.02 0.05 0.00 0.43 0.00 0.00 52.55 51.96 3dak s ASP 275 Cb 0.17 -2.16 0.69 0.00 -0.30 0.00 0.00 42.92 41.32 3dak s ASP 275 CO 0.68 -0.50 1.93 1.55 -0.17 0.00 0.00 175.17 178.66 3dak h PRO 276 N 8.65 0.80 -0.25 4.34 0.13 -1.96 0.50 132.00 144.23 3dak h PRO 276 Ca -0.27 -0.05 0.07 0.00 -0.87 0.00 0.00 66.00 64.88 3dak h PRO 276 Cb 1.12 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 3dak h PRO 276 CO 0.77 0.53 0.19 0.93 -0.23 0.00 0.00 178.00 180.19 3dak h GLU 277 N 0.83 0.00 0.00 0.86 5.08 -1.95 -0.99 114.58 118.41 3dak h GLU 277 Ca 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3dak h GLU 277 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3dak h GLU 277 CO -0.13 0.00 -0.01 1.63 -1.00 0.00 0.00 179.01 179.50 3dak n LYS 278 N -4.26 0.27 -2.70 2.33 5.02 0.17 -4.85 118.16 114.13 3dak n LYS 278 Ca 0.03 0.22 -0.34 0.00 -2.02 0.00 0.00 58.31 56.20 3dak n LYS 278 Cb 0.34 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.49 3dak n LYS 278 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3dak s ARG 279 N -3.10 4.06 0.65 1.97 0.52 -0.38 -4.99 118.95 117.68 3dak s ARG 279 Ca 0.11 1.23 -0.12 0.00 -0.52 0.00 0.00 55.73 56.43 3dak s ARG 279 Cb 0.12 -2.17 -0.02 0.00 0.52 0.00 0.00 34.95 33.40 3dak s ARG 279 CO 0.60 -0.19 1.05 -1.25 0.02 0.00 0.00 175.30 175.53 3dak s PRO 280 N -3.15 3.21 0.85 3.54 0.04 -1.26 -5.06 135.00 133.17 3dak s PRO 280 Ca 0.64 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.53 3dak s PRO 280 Cb -0.13 -2.03 0.10 0.00 0.04 0.00 0.00 34.50 32.49 3dak s PRO 280 CO 0.16 -0.88 1.12 0.95 0.04 0.00 0.00 177.00 178.39 3dak s THR 281 N -2.91 2.55 0.20 1.26 -4.23 -1.26 -4.87 115.64 106.38 3dak s THR 281 Ca 0.59 0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 61.21 3dak s THR 281 Cb -0.14 -2.92 0.05 0.00 1.34 0.00 0.00 72.50 70.83 3dak s THR 281 CO 0.49 -0.23 1.64 0.00 -0.54 0.00 0.00 174.62 175.97 3dak h ALA 282 N -1.29 0.86 -0.79 3.99 0.00 -1.94 -0.68 119.26 119.41 3dak h ALA 282 Ca -0.49 -0.34 0.08 0.00 0.00 0.00 0.00 54.91 54.16 3dak h ALA 282 Cb 1.30 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.84 3dak h ALA 282 CO 0.60 0.65 0.45 0.00 0.00 0.00 0.00 179.25 180.95 3dak h ALA 283 N 1.03 1.09 -0.45 0.00 0.00 -1.94 -1.28 119.26 117.72 3dak h ALA 283 Ca 0.13 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 3dak h ALA 283 Cb 0.65 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3dak h ALA 283 CO 0.05 0.12 -0.02 0.93 0.00 0.00 0.00 179.25 180.33 3dak h GLU 284 N 0.80 0.80 -0.84 0.00 5.08 -1.83 -3.11 114.58 115.47 3dak h GLU 284 Ca 0.36 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3dak h GLU 284 Cb 0.27 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 3dak h GLU 284 CO -0.21 0.87 0.46 -0.07 -1.00 0.00 0.00 179.01 179.05 3dak h LEU 285 N 0.64 1.04 -1.99 1.33 3.38 -0.88 -2.78 115.31 116.05 3dak h LEU 285 Ca 0.12 -0.10 0.21 0.00 0.09 0.00 0.00 57.88 58.20 3dak h LEU 285 Cb 0.52 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3dak h LEU 285 CO 0.03 0.84 0.54 -0.07 0.09 0.00 0.00 178.44 179.87 3dak h LEU 286 N 1.16 0.00 -0.20 1.67 3.38 -1.17 0.12 115.31 120.27 3dak h LEU 286 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3dak h LEU 286 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dak h LEU 286 CO -0.05 0.00 -0.30 0.54 0.09 0.00 0.00 178.44 178.72 3dak n ARG 287 N -4.22 0.39 -1.77 1.13 1.74 -1.05 -4.79 116.66 108.09 3dak n ARG 287 Ca 0.14 -0.20 -0.41 0.00 -0.77 0.00 0.00 57.85 56.61 3dak n ARG 287 Cb 0.81 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 3dak n ARG 287 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 3dak n HIS 288 N -1.13 2.88 -0.35 -1.55 -0.00 0.40 -4.88 115.22 110.60 3dak n HIS 288 Ca 0.09 0.46 0.23 0.00 0.46 0.00 0.00 57.72 58.96 3dak n HIS 288 Cb 0.33 -2.51 0.49 0.00 -0.12 0.00 0.00 29.99 28.18 3dak n HIS 288 CO 0.00 0.00 0.00 -0.22 0.46 0.00 0.00 176.34 176.58 3dak h LYS 289 N 2.81 0.38 -0.90 1.57 3.64 -1.92 -0.96 116.57 121.19 3dak h LYS 289 Ca -0.50 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.93 3dak h LYS 289 Cb 1.25 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.92 3dak h LYS 289 CO 0.63 0.25 0.56 0.35 -2.27 0.00 0.00 179.45 178.98 3dak h PHE 290 N 0.39 1.04 0.00 1.91 3.57 -1.90 -2.39 116.94 119.56 3dak h PHE 290 Ca 0.66 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.19 3dak h PHE 290 Cb 1.60 -0.34 0.00 0.00 2.79 0.00 0.00 35.95 40.01 3dak h PHE 290 CO -0.01 0.51 0.00 1.19 -2.23 0.00 0.00 178.31 177.78 3dak n PHE 291 N -4.60 0.00 0.79 0.41 3.01 -0.36 -1.63 117.46 115.07 3dak n PHE 291 Ca 0.14 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.73 3dak n PHE 291 Cb 0.20 0.00 0.51 0.00 -0.01 0.00 0.00 39.48 40.18 3dak n PHE 291 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3dak n GLN 292 N -0.81 0.10 0.00 -1.08 6.02 -0.90 -3.47 117.38 117.24 3dak n GLN 292 Ca 0.11 0.12 0.14 0.00 -0.01 0.00 0.00 57.00 57.37 3dak n GLN 292 Cb 0.05 -1.63 0.62 0.00 1.02 0.00 0.00 30.24 30.30 3dak n GLN 292 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3dak n LYS 293 N -1.81 0.08 -2.45 -1.09 5.02 -0.64 -4.88 118.16 112.38 3dak n LYS 293 Ca 0.06 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 56.00 3dak n LYS 293 Cb 0.35 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.84 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 -2.92 2.82 -2.48 7.82 0.00 -1.23 -4.45 121.76 121.32 3dak s ALA 294 Ca 0.16 0.68 0.28 0.00 0.00 0.00 0.00 51.96 53.09 3dak s ALA 294 Cb 0.19 -3.29 1.08 0.00 0.00 0.00 0.00 23.12 21.10 3dak s ALA 294 CO 0.53 -0.46 1.76 1.63 0.00 0.00 0.00 175.76 179.22