#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 3.66 -1.71 -0.43 0.00 -1.26 -4.98 120.51 115.79 3dak n ALA 7 Ca 0.00 -0.38 -0.32 0.00 0.00 0.00 0.00 53.44 52.74 3dak n ALA 7 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.37 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 -2.98 3.51 0.75 0.00 1.43 -1.26 -5.04 118.68 115.09 3dak s LEU 8 Ca 0.11 1.75 -0.15 0.00 -1.03 0.00 0.00 54.13 54.81 3dak s LEU 8 Cb 0.17 -4.53 0.05 0.00 0.03 0.00 0.00 46.19 41.92 3dak s LEU 8 CO 0.71 -1.03 1.21 -2.84 0.23 0.00 0.00 176.35 174.63 3dak s PRO 9 N -4.11 1.99 0.45 1.29 0.02 -1.26 -4.98 135.00 128.40 3dak s PRO 9 Ca 0.62 1.78 -0.24 0.00 0.02 0.00 0.00 61.00 63.18 3dak s PRO 9 Cb -0.14 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.49 3dak s PRO 9 CO 0.36 -1.95 1.31 -1.58 -0.33 0.00 0.00 177.00 174.81 3dak s TRP 10 N -2.00 2.67 0.33 6.54 0.52 -1.26 -4.98 118.94 120.76 3dak s TRP 10 Ca 0.75 1.41 -0.29 0.00 0.02 0.00 0.00 56.10 57.99 3dak s TRP 10 Cb -0.30 -3.68 -0.10 0.00 -1.15 0.00 0.00 33.47 28.25 3dak s TRP 10 CO 0.47 -2.26 1.24 0.45 0.02 0.00 0.00 176.95 176.87 3dak s SER 11 N -0.87 6.86 -0.19 2.95 0.15 -1.26 -4.95 113.70 116.40 3dak s SER 11 Ca 0.62 2.55 0.16 0.00 0.70 0.00 0.00 55.95 59.98 3dak s SER 11 Cb -0.38 -2.64 0.60 0.00 -1.71 0.00 0.00 66.02 61.89 3dak s SER 11 CO 0.47 -0.46 1.50 2.30 1.20 0.00 0.00 173.24 178.26 3dak n ILE 12 N 0.82 2.36 -3.66 6.45 -5.35 -1.26 -4.91 119.36 113.81 3dak n ILE 12 Ca 0.00 -1.73 -0.36 0.00 -0.27 0.00 0.00 62.75 60.39 3dak n ILE 12 Cb 0.43 -0.23 -0.08 0.00 -1.74 0.00 0.00 39.64 38.02 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 -1.62 6.31 0.42 7.28 2.47 -1.26 -4.93 114.94 123.61 3dak s ASN 13 Ca 0.45 0.35 0.09 0.00 0.42 0.00 0.00 52.86 54.17 3dak s ASN 13 Cb 0.35 -2.13 0.93 0.00 -1.45 0.00 0.00 41.25 38.96 3dak s ASN 13 CO 0.11 0.16 2.05 -0.09 -3.72 0.00 0.00 177.10 175.61 3dak h ARG 14 N 6.61 0.46 0.00 0.43 1.12 -1.95 -2.86 114.38 118.20 3dak h ARG 14 Ca -0.42 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.43 3dak h ARG 14 Cb 1.16 -0.10 0.00 0.00 -0.01 0.00 0.00 29.97 31.01 3dak h ARG 14 CO 0.75 0.31 0.00 -0.25 -3.11 0.00 0.00 179.97 177.67 3dak n ASP 15 N -4.48 0.31 -0.11 -3.80 8.00 -1.26 -2.04 116.55 113.16 3dak n ASP 15 Ca 0.04 0.57 0.15 0.00 0.71 0.00 0.00 54.79 56.25 3dak n ASP 15 Cb 0.12 -0.64 0.70 0.00 -0.02 0.00 0.00 41.12 41.29 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 -1.83 0.42 -4.22 -2.24 8.00 -1.08 -4.78 116.55 110.81 3dak n ASP 16 Ca 0.04 -0.72 -0.32 0.00 0.71 0.00 0.00 54.79 54.49 3dak n ASP 16 Cb 0.23 -0.08 -0.16 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.32 2.64 -0.36 1.24 2.02 -0.87 -2.31 117.35 117.38 3dak s TYR 17 Ca 0.34 -1.10 -0.05 0.00 -0.37 0.00 0.00 57.07 55.89 3dak s TYR 17 Cb 0.21 -1.77 0.07 0.00 -0.40 0.00 0.00 41.96 40.06 3dak s TYR 17 CO 0.43 -0.47 0.13 -2.00 -1.57 0.00 0.00 175.55 172.08 3dak s GLU 18 N 0.54 2.40 -0.03 -0.62 2.12 -0.22 -4.96 118.70 117.93 3dak s GLU 18 Ca -0.13 -1.42 -0.30 0.00 0.36 0.00 0.00 54.97 53.48 3dak s GLU 18 Cb -0.17 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 3dak s GLU 18 CO 0.04 -0.81 1.24 -0.51 -0.54 0.00 0.00 175.26 174.69 3dak s LEU 19 N 1.30 4.30 0.00 2.70 1.02 -1.26 -2.12 118.68 124.61 3dak s LEU 19 Ca 0.01 1.91 0.00 0.00 0.02 0.00 0.00 54.13 56.07 3dak s LEU 19 Cb -0.21 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.44 3dak s LEU 19 CO -0.00 -0.60 0.00 0.00 0.02 0.00 0.00 176.35 175.77 3dak n GLN 20 N 5.05 3.33 -1.53 1.70 6.02 0.32 -5.00 117.38 127.28 3dak n GLN 20 Ca 0.11 0.00 -0.47 0.00 -0.01 0.00 0.00 57.00 56.63 3dak n GLN 20 Cb 0.46 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.69 3dak n GLN 20 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 3dak n GLU 21 N 0.00 0.88 -2.50 -1.09 0.28 -1.26 -4.63 120.64 112.32 3dak n GLU 21 Ca 0.00 0.31 -0.43 0.00 -0.16 0.00 0.00 57.16 56.88 3dak n GLU 21 Cb 0.00 -1.62 -0.02 0.00 1.43 0.00 0.00 31.44 31.22 3dak n GLU 21 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3dak s VAL 22 N -0.75 4.41 -0.06 3.84 1.01 -1.26 -0.98 120.40 126.60 3dak s VAL 22 Ca 0.66 1.70 -0.22 0.00 0.00 0.00 0.00 61.98 64.11 3dak s VAL 22 Cb -0.83 -4.10 -0.31 0.00 0.00 0.00 0.00 36.38 31.14 3dak s VAL 22 CO 0.57 -0.12 0.87 0.40 0.00 0.00 0.00 175.10 176.82 3dak h ILE 23 N 5.40 1.53 -3.13 2.22 2.04 -1.13 -3.47 117.51 120.97 3dak h ILE 23 Ca -0.26 -2.52 0.01 0.00 1.00 0.00 0.00 64.86 63.09 3dak h ILE 23 Cb 1.10 3.21 -0.09 0.00 -0.74 0.00 0.00 36.82 40.30 3dak h ILE 23 CO 0.95 0.71 0.14 -0.83 0.00 0.00 0.00 178.15 179.12 3dak s GLY 24 N -4.42 -0.23 0.00 5.37 0.00 -0.93 -5.00 107.32 102.10 3dak s GLY 24 Ca -0.14 -0.06 0.00 0.00 0.00 0.00 0.00 44.72 44.52 3dak s GLY 24 CO 0.82 -0.09 0.00 -1.26 0.00 0.00 0.00 173.10 172.56 3dak n SER 25 N -0.39 0.00 0.00 1.64 2.88 -1.26 -0.33 113.62 116.16 3dak n SER 25 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 3dak n SER 25 Cb 0.62 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 3dak n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dak n GLY 26 N 0.00 3.21 0.00 0.46 0.00 -1.24 -4.84 105.19 102.78 3dak n GLY 26 Ca 0.00 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.55 3dak n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dak n ALA 27 N -1.75 1.65 0.00 4.61 0.00 -1.26 -4.20 120.51 119.56 3dak n ALA 27 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3dak n ALA 27 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3dak n ALA 27 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3dak n THR 28 N -1.30 0.00 -4.05 0.00 5.66 -1.26 -5.02 114.28 108.32 3dak n THR 28 Ca 0.05 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.97 3dak n THR 28 Cb 0.09 -1.14 -0.10 0.00 -1.55 0.00 0.00 70.33 67.62 3dak n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3dak s ALA 29 N -1.98 0.36 -0.09 1.79 0.00 -1.26 -2.74 121.76 117.84 3dak s ALA 29 Ca 0.00 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.99 3dak s ALA 29 Cb 0.00 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.37 3dak s ALA 29 CO 0.00 -0.30 -0.13 0.08 0.00 0.00 0.00 175.76 175.41 3dak s VAL 30 N -3.10 1.27 -0.29 0.00 1.01 -0.07 -3.60 120.40 115.62 3dak s VAL 30 Ca -0.01 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 3dak s VAL 30 Cb 0.02 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 35.17 3dak s VAL 30 CO -0.07 0.39 0.19 -0.69 0.00 0.00 0.00 175.10 174.93 3dak s VAL 31 N 1.02 5.27 -0.06 2.92 1.01 0.56 0.01 120.40 131.12 3dak s VAL 31 Ca -0.07 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.08 3dak s VAL 31 Cb -0.15 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 3dak s VAL 31 CO -0.01 0.23 -0.22 -1.10 0.00 0.00 0.00 175.10 174.00 3dak s GLN 32 N 1.75 2.60 0.30 2.72 -0.21 -0.22 -0.49 119.66 126.11 3dak s GLN 32 Ca 0.07 -0.84 -0.30 0.00 0.02 0.00 0.00 55.36 54.31 3dak s GLN 32 Cb -0.16 -2.25 -0.12 0.00 1.00 0.00 0.00 33.01 31.48 3dak s GLN 32 CO 0.11 0.42 1.41 0.00 -2.12 0.00 0.00 175.29 175.11 3dak n ALA 33 N 2.85 1.57 -2.96 6.09 0.00 -0.15 -0.95 120.51 126.95 3dak n ALA 33 Ca -0.17 0.38 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 3dak n ALA 33 Cb 0.52 -2.32 -0.12 0.00 0.00 0.00 0.00 19.45 17.54 3dak n ALA 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dak s ALA 34 N -0.49 0.08 -0.20 0.00 0.00 -0.28 -0.52 121.76 120.34 3dak s ALA 34 Ca 0.62 -0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.01 3dak s ALA 34 Cb -0.58 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.61 3dak s ALA 34 CO 0.55 -0.13 0.17 -0.47 0.00 0.00 0.00 175.76 175.88 3dak s TYR 35 N -1.17 3.39 -0.47 0.00 5.04 -0.90 -0.42 117.35 122.82 3dak s TYR 35 Ca -0.13 0.35 -0.14 0.00 -2.44 0.00 0.00 57.07 54.71 3dak s TYR 35 Cb -0.08 -2.22 0.09 0.00 0.35 0.00 0.00 41.96 40.09 3dak s TYR 35 CO -0.01 0.22 0.38 0.00 -1.34 0.00 0.00 175.55 174.80 3dak h ALA 37 N 8.69 -0.59 -0.48 0.00 0.00 -1.75 -0.34 119.26 124.80 3dak h ALA 37 Ca -0.27 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 54.72 3dak h ALA 37 Cb 1.10 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 3dak h ALA 37 CO 0.88 -0.89 0.38 -1.00 0.00 0.00 0.00 179.25 178.63 3dak h PRO 38 N -0.57 0.00 -0.12 0.00 0.13 -1.95 -1.75 132.00 127.74 3dak h PRO 38 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3dak h PRO 38 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 3dak h PRO 38 CO -0.19 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.21 3dak n LYS 39 N -4.16 1.87 -4.03 0.86 4.76 -0.97 -4.99 118.16 111.50 3dak n LYS 39 Ca 0.09 -1.79 -0.32 0.00 -2.87 0.00 0.00 58.31 53.42 3dak n LYS 39 Cb 0.59 -1.39 -0.04 0.00 -1.84 0.00 0.00 35.03 32.35 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 1.12 -0.70 -3.94 1.97 4.01 -0.17 -4.94 118.16 115.51 3dak n LYS 40 Ca 0.13 0.03 -0.13 0.00 -0.51 0.00 0.00 58.31 57.83 3dak n LYS 40 Cb 0.50 -2.55 -0.14 0.00 -0.51 0.00 0.00 35.03 32.33 3dak n LYS 40 CO 0.00 0.00 0.00 -2.00 -1.11 0.00 0.00 177.40 174.29 3dak s GLU 41 N -6.84 0.11 -0.19 1.97 2.12 -1.14 -5.01 118.70 109.72 3dak s GLU 41 Ca 0.17 -0.09 -0.27 0.00 0.36 0.00 0.00 54.97 55.13 3dak s GLU 41 Cb -0.09 -0.08 -0.00 0.00 0.26 0.00 0.00 34.13 34.22 3dak s GLU 41 CO 0.83 0.02 0.93 0.21 -0.54 0.00 0.00 175.26 176.70 3dak s LYS 42 N -0.16 4.28 0.45 4.30 2.20 -1.26 -0.96 119.74 128.59 3dak s LYS 42 Ca -0.01 1.17 0.04 0.00 -0.36 0.00 0.00 55.97 56.82 3dak s LYS 42 Cb -0.01 -3.60 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 3dak s LYS 42 CO -0.00 -0.46 0.01 0.14 -0.36 0.00 0.00 175.35 174.68 3dak s VAL 43 N 2.60 1.61 -0.13 4.02 -7.23 0.43 -4.34 120.40 117.36 3dak s VAL 43 Ca 0.41 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.56 3dak s VAL 43 Cb -0.16 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 3dak s VAL 43 CO 0.10 0.00 -0.05 0.00 -0.31 0.00 0.00 175.10 174.84 3dak s ALA 44 N -2.80 2.98 -0.22 1.32 0.00 -0.43 -1.13 121.76 121.48 3dak s ALA 44 Ca 0.23 -0.83 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 3dak s ALA 44 Cb 0.06 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.72 3dak s ALA 44 CO 0.12 0.30 -0.08 0.42 0.00 0.00 0.00 175.76 176.52 3dak s ILE 45 N 0.09 2.98 -0.27 0.00 1.01 -0.12 -0.49 121.20 124.40 3dak s ILE 45 Ca -0.01 -0.70 -0.21 0.00 0.00 0.00 0.00 60.65 59.73 3dak s ILE 45 Cb -0.14 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 3dak s ILE 45 CO 0.03 0.40 0.65 -0.75 0.00 0.00 0.00 174.94 175.28 3dak s LYS 46 N 1.41 4.06 -0.39 2.79 2.20 0.29 -1.06 119.74 129.03 3dak s LYS 46 Ca 0.05 0.52 -0.10 0.00 -0.36 0.00 0.00 55.97 56.07 3dak s LYS 46 Cb -0.14 -3.67 0.05 0.00 -1.51 0.00 0.00 37.83 32.55 3dak s LYS 46 CO -0.06 -0.48 0.23 1.03 -0.36 0.00 0.00 175.35 175.72 3dak s ARG 47 N 2.58 2.75 -0.23 4.03 0.52 0.10 -0.47 118.95 128.23 3dak s ARG 47 Ca 0.27 -1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 54.17 3dak s ARG 47 Cb -0.15 -3.76 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 3dak s ARG 47 CO 0.09 -0.80 0.08 0.42 0.02 0.00 0.00 175.30 175.11 3dak s ILE 48 N 1.51 4.57 -0.66 1.52 1.01 -0.29 -0.89 121.20 127.96 3dak s ILE 48 Ca 0.02 -0.09 -0.27 0.00 0.00 0.00 0.00 60.65 60.30 3dak s ILE 48 Cb -0.21 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.17 3dak s ILE 48 CO 0.05 0.37 1.33 0.21 0.00 0.00 0.00 174.94 176.90 3dak s ASN 49 N 1.17 6.16 0.44 3.58 3.84 -1.11 -0.70 114.94 128.32 3dak s ASN 49 Ca 0.05 -0.13 0.14 0.00 0.21 0.00 0.00 52.86 53.14 3dak s ASN 49 Cb -0.14 -2.55 1.06 0.00 -0.55 0.00 0.00 41.25 39.06 3dak s ASN 49 CO 0.04 -1.77 1.99 -0.07 -2.79 0.00 0.00 177.10 174.49 3dak h LEU 50 N 13.04 0.33 -0.03 3.21 3.38 -1.71 -1.79 115.31 131.74 3dak h LEU 50 Ca -0.27 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.71 3dak h LEU 50 Cb 1.07 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.75 3dak h LEU 50 CO 1.24 0.20 0.01 -0.08 0.09 0.00 0.00 178.44 179.89 3dak h GLU 51 N 0.37 0.04 0.00 1.13 4.81 -1.84 -2.04 114.58 117.05 3dak h GLU 51 Ca 0.26 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3dak h GLU 51 Cb 0.53 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.91 3dak h GLU 51 CO -0.07 0.25 0.00 0.87 -0.73 0.00 0.00 179.01 179.33 3dak h LYS 52 N -0.17 0.00 -0.02 1.92 1.57 -1.80 -2.24 116.57 115.82 3dak h LYS 52 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3dak h LYS 52 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3dak h LYS 52 CO -0.00 0.00 -0.09 0.00 -0.57 0.00 0.00 179.45 178.79 3dak n GLN 54 N 0.87 -3.45 -2.41 0.00 6.02 -0.84 -4.97 117.38 112.60 3dak n GLN 54 Ca 0.14 0.47 -0.04 0.00 -0.01 0.00 0.00 57.00 57.56 3dak n GLN 54 Cb 0.53 -4.66 -0.01 0.00 1.02 0.00 0.00 30.24 27.12 3dak n GLN 54 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3dak n THR 55 N -4.33 0.00 -3.95 5.09 5.66 -0.81 -5.06 114.28 110.87 3dak n THR 55 Ca -0.28 -0.42 -0.10 0.00 -3.05 0.00 0.00 64.05 60.21 3dak n THR 55 Cb 0.67 0.17 -0.06 0.00 -1.55 0.00 0.00 70.33 69.56 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 -1.43 -0.05 0.44 1.09 1.04 -1.26 -4.68 113.70 108.86 3dak s SER 56 Ca 0.05 -0.86 0.21 0.00 0.48 0.00 0.00 55.95 55.83 3dak s SER 56 Cb 0.00 0.51 1.01 0.00 0.10 0.00 0.00 66.02 67.64 3dak s SER 56 CO 0.03 -1.00 1.89 0.24 0.98 0.00 0.00 173.24 175.39 3dak h MET 57 N 2.39 0.00 -0.37 4.02 2.86 -1.98 -3.05 114.93 118.80 3dak h MET 57 Ca -0.30 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.21 3dak h MET 57 Cb 1.24 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.89 3dak h MET 57 CO 0.42 0.25 -0.32 -0.44 1.06 0.00 0.00 176.91 177.89 3dak h ASP 58 N 0.00 0.86 0.81 1.22 3.32 -2.01 -1.31 116.42 119.31 3dak h ASP 58 Ca -0.00 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 3dak h ASP 58 Cb 0.61 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 3dak h ASP 58 CO 0.03 1.11 -0.04 -0.08 -1.72 0.00 0.00 179.24 178.54 3dak h GLU 59 N 0.69 0.00 0.00 3.56 4.81 -1.94 -3.36 114.58 118.34 3dak h GLU 59 Ca 0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3dak h GLU 59 Cb 0.87 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.25 3dak h GLU 59 CO 0.08 0.04 -1.16 1.28 -0.73 0.00 0.00 179.01 178.52 3dak n LEU 60 N -3.18 0.22 -0.31 1.64 4.77 -1.00 -4.66 117.00 114.47 3dak n LEU 60 Ca -0.00 -0.20 0.14 0.00 -0.03 0.00 0.00 56.01 55.92 3dak n LEU 60 Cb 0.29 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.75 3dak n LEU 60 CO 0.27 0.06 1.21 -0.07 -1.33 0.00 0.00 177.39 177.53 3dak h LEU 61 N 0.00 0.68 -0.85 2.23 3.38 -1.40 0.04 115.31 119.39 3dak h LEU 61 Ca 0.00 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3dak h LEU 61 Cb 0.45 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3dak h LEU 61 CO 0.00 0.27 -0.19 0.11 0.09 0.00 0.00 178.44 178.73 3dak h LYS 62 N 0.68 0.65 -0.20 1.13 1.57 -1.86 0.15 116.57 118.69 3dak h LYS 62 Ca 0.53 -0.23 -0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3dak h LYS 62 Cb 0.92 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 3dak h LYS 62 CO -0.29 0.79 0.06 0.93 -0.57 0.00 0.00 179.45 180.38 3dak h GLU 63 N 0.58 0.31 -0.67 3.15 4.39 -1.32 -1.51 114.58 119.51 3dak h GLU 63 Ca 0.09 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.65 3dak h GLU 63 Cb 0.64 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.22 3dak h GLU 63 CO 0.05 0.41 0.13 0.82 -1.16 0.00 0.00 179.01 179.25 3dak h ILE 64 N 0.15 1.26 -0.32 3.13 2.04 -1.24 -0.50 117.51 122.03 3dak h ILE 64 Ca 0.06 -1.01 0.07 0.00 1.00 0.00 0.00 64.86 64.99 3dak h ILE 64 Cb 0.23 0.61 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 3dak h ILE 64 CO -0.00 0.38 -0.11 -0.61 0.00 0.00 0.00 178.15 177.81 3dak h GLN 65 N 1.02 -0.04 -0.18 2.37 4.15 -0.80 -0.64 115.11 120.99 3dak h GLN 65 Ca 0.21 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.63 3dak h GLN 65 Cb 0.41 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 3dak h GLN 65 CO 0.01 -0.03 0.11 0.00 -1.93 0.00 0.00 178.83 177.00 3dak h ALA 66 N 1.26 0.23 -0.96 3.38 0.00 -0.81 -2.33 119.26 120.02 3dak h ALA 66 Ca 0.16 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.19 3dak h ALA 66 Cb 0.28 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.92 3dak h ALA 66 CO -0.35 -0.30 0.59 0.52 0.00 0.00 0.00 179.25 179.71 3dak h MET 67 N 0.23 0.87 0.00 0.00 2.86 -0.83 -1.66 114.93 116.40 3dak h MET 67 Ca 0.07 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3dak h MET 67 Cb -0.01 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.45 3dak h MET 67 CO -0.03 0.57 0.00 0.66 1.06 0.00 0.00 176.91 179.18 3dak h SER 68 N 0.89 0.00 0.00 1.22 4.64 -0.59 -3.08 113.55 116.63 3dak h SER 68 Ca 0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.81 3dak h SER 68 Cb 0.56 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3dak h SER 68 CO -0.29 0.00 -1.96 0.00 -0.87 0.00 0.00 176.83 173.71 3dak n GLN 69 N -2.70 0.63 -3.54 4.77 6.02 -0.74 -4.92 117.38 116.91 3dak n GLN 69 Ca 0.02 -0.19 -0.39 0.00 -0.01 0.00 0.00 57.00 56.43 3dak n GLN 69 Cb 0.33 -1.49 -0.11 0.00 1.02 0.00 0.00 30.24 29.99 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 1.77 -0.01 -0.25 0.00 3.76 -1.26 -4.82 115.29 114.48 3dak s HIS 71 Ca 0.07 0.29 -0.26 0.00 -0.15 0.00 0.00 55.06 55.01 3dak s HIS 71 Cb -0.17 -0.33 0.09 0.00 1.11 0.00 0.00 32.58 33.29 3dak s HIS 71 CO 0.11 -0.17 0.84 -1.58 -0.85 0.00 0.00 174.74 173.09 3dak s HIS 72 N 1.72 -0.64 -0.31 1.40 5.04 -1.26 -5.05 115.29 116.19 3dak s HIS 72 Ca -0.01 1.52 0.23 0.00 -1.54 0.00 0.00 55.06 55.26 3dak s HIS 72 Cb -0.12 0.32 1.11 0.00 0.04 0.00 0.00 32.58 33.93 3dak s HIS 72 CO -0.04 -0.34 1.71 -0.35 -2.34 0.00 0.00 174.74 173.38 3dak n PRO 73 N 2.27 0.18 -0.65 2.88 -0.04 -1.26 -1.80 135.00 136.57 3dak n PRO 73 Ca -0.14 0.54 0.09 0.00 -0.04 0.00 0.00 63.50 63.95 3dak n PRO 73 Cb 0.56 -1.94 0.36 0.00 -0.04 0.00 0.00 33.50 32.44 3dak n PRO 73 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dak n ASN 74 N -2.29 4.86 -4.12 3.54 5.03 -1.26 -4.75 115.26 116.27 3dak n ASN 74 Ca 0.00 -2.51 -0.29 0.00 0.87 0.00 0.00 54.58 52.65 3dak n ASN 74 Cb 0.13 -0.60 -0.17 0.00 -1.02 0.00 0.00 39.78 38.13 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 -1.98 1.65 0.11 2.41 1.09 -0.75 -1.15 121.20 122.59 3dak s ILE 75 Ca 0.51 -0.77 -0.35 0.00 -1.10 0.00 0.00 60.65 58.94 3dak s ILE 75 Cb 0.34 -1.47 -0.16 0.00 -1.06 0.00 0.00 42.46 40.11 3dak s ILE 75 CO 0.23 0.47 1.32 0.52 -0.10 0.00 0.00 174.94 177.38 3dak n VAL 76 N 3.80 0.22 -2.01 2.92 0.31 -0.19 -4.63 118.33 118.76 3dak n VAL 76 Ca -0.20 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.65 3dak n VAL 76 Cb 0.52 -0.89 -0.03 0.00 -0.91 0.00 0.00 33.84 32.53 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 0.40 6.66 -0.21 4.52 0.01 -1.26 -4.92 113.70 118.89 3dak s SER 77 Ca 0.81 2.56 -0.10 0.00 1.31 0.00 0.00 55.95 60.54 3dak s SER 77 Cb -0.91 -2.60 -0.05 0.00 0.21 0.00 0.00 66.02 62.68 3dak s SER 77 CO 0.47 -0.75 0.12 -0.47 0.41 0.00 0.00 173.24 173.03 3dak s TYR 78 N 0.81 3.33 -0.21 2.43 5.04 -1.26 -1.28 117.35 126.21 3dak s TYR 78 Ca 0.66 0.21 -0.16 0.00 -2.44 0.00 0.00 57.07 55.34 3dak s TYR 78 Cb -0.42 -2.19 -0.09 0.00 0.35 0.00 0.00 41.96 39.61 3dak s TYR 78 CO 0.34 0.15 -0.24 0.66 -1.34 0.00 0.00 175.55 175.13 3dak n TYR 79 N 3.87 0.33 -3.84 4.97 4.01 0.60 -4.97 117.16 122.12 3dak n TYR 79 Ca -0.16 0.14 -0.05 0.00 -0.16 0.00 0.00 57.90 57.67 3dak n TYR 79 Cb 0.52 -0.80 0.02 0.00 -0.31 0.00 0.00 39.34 38.78 3dak n TYR 79 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 3dak n THR 80 N -4.42 0.00 -3.50 -0.72 5.66 -1.01 -4.72 114.28 105.57 3dak n THR 80 Ca -0.28 -0.71 -0.13 0.00 -3.05 0.00 0.00 64.05 59.88 3dak n THR 80 Cb 0.61 0.83 -0.04 0.00 -1.55 0.00 0.00 70.33 70.19 3dak n THR 80 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3dak s SER 81 N -3.23 -0.51 0.07 1.09 1.04 -1.26 0.25 113.70 111.15 3dak s SER 81 Ca 0.20 0.32 -0.27 0.00 0.48 0.00 0.00 55.95 56.68 3dak s SER 81 Cb -0.04 0.47 0.08 0.00 0.10 0.00 0.00 66.02 66.64 3dak s SER 81 CO 0.08 -0.64 0.88 0.72 0.98 0.00 0.00 173.24 175.26 3dak s PHE 82 N -2.23 -0.29 -0.16 5.02 -0.71 -0.82 -4.97 117.98 113.83 3dak s PHE 82 Ca -0.03 0.08 -0.12 0.00 -1.04 0.00 0.00 56.93 55.82 3dak s PHE 82 Cb -0.01 0.58 -0.05 0.00 -1.21 0.00 0.00 43.02 42.34 3dak s PHE 82 CO -0.02 -0.68 0.23 0.08 -1.34 0.00 0.00 175.22 173.49 3dak s VAL 83 N -3.25 5.35 -0.26 -2.49 1.01 -1.26 -0.58 120.40 118.91 3dak s VAL 83 Ca 0.07 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.50 3dak s VAL 83 Cb -0.01 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.87 3dak s VAL 83 CO -0.05 0.44 -0.10 -0.69 0.00 0.00 0.00 175.10 174.69 3dak s VAL 84 N 0.20 2.16 0.00 2.92 1.01 -0.30 -4.97 120.40 121.42 3dak s VAL 84 Ca 0.14 -1.65 0.00 0.00 0.00 0.00 0.00 61.98 60.47 3dak s VAL 84 Cb -0.12 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.98 3dak s VAL 84 CO 0.02 -0.04 0.00 1.17 0.00 0.00 0.00 175.10 176.25 3dak n LYS 85 N 4.43 0.00 -0.45 2.72 4.81 -1.26 -1.56 118.16 126.85 3dak n LYS 85 Ca -0.14 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.39 3dak n LYS 85 Cb 0.42 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.75 3dak n LYS 85 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3dak n ASP 86 N 10.61 4.03 -4.50 3.14 5.68 -1.26 -4.96 116.55 129.29 3dak n ASP 86 Ca 0.00 -2.46 -0.33 0.00 -0.50 0.00 0.00 54.79 51.50 3dak n ASP 86 Cb 0.00 -0.47 -0.13 0.00 -1.14 0.00 0.00 41.12 39.38 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 -1.85 2.69 -0.21 0.11 2.02 -0.60 -1.87 118.70 118.98 3dak s GLU 87 Ca 0.41 -0.64 -0.20 0.00 0.02 0.00 0.00 54.97 54.56 3dak s GLU 87 Cb 0.27 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 3dak s GLU 87 CO 0.18 0.59 0.58 -1.17 0.02 0.00 0.00 175.26 175.46 3dak s LEU 88 N -0.63 4.12 -0.26 1.80 2.96 0.12 -1.14 118.68 125.65 3dak s LEU 88 Ca 0.09 0.73 -0.11 0.00 -0.22 0.00 0.00 54.13 54.62 3dak s LEU 88 Cb -0.11 -2.80 -0.05 0.00 0.50 0.00 0.00 46.19 43.73 3dak s LEU 88 CO 0.01 -0.26 0.17 0.26 -1.32 0.00 0.00 176.35 175.22 3dak s TRP 89 N 1.94 3.26 -0.31 5.38 0.52 0.25 -1.14 118.94 128.85 3dak s TRP 89 Ca 0.26 0.15 -0.07 0.00 0.02 0.00 0.00 56.10 56.46 3dak s TRP 89 Cb -0.16 -2.32 0.02 0.00 -1.15 0.00 0.00 33.47 29.86 3dak s TRP 89 CO 0.10 -0.06 0.08 -0.51 0.02 0.00 0.00 176.95 176.58 3dak s LEU 90 N 1.41 3.96 -0.23 2.99 1.43 0.38 -1.94 118.68 126.68 3dak s LEU 90 Ca 0.07 -0.84 -0.18 0.00 -1.03 0.00 0.00 54.13 52.16 3dak s LEU 90 Cb -0.15 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 3dak s LEU 90 CO 0.08 -0.23 0.49 -0.69 0.23 0.00 0.00 176.35 176.23 3dak s VAL 91 N 1.47 5.11 0.22 -1.59 1.01 0.14 -0.55 120.40 126.20 3dak s VAL 91 Ca 0.01 0.87 0.01 0.00 0.00 0.00 0.00 61.98 62.87 3dak s VAL 91 Cb -0.18 -3.81 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 3dak s VAL 91 CO 0.02 0.15 0.07 -0.04 0.00 0.00 0.00 175.10 175.31 3dak s MET 92 N 1.89 1.26 0.29 2.72 1.00 0.36 -0.29 119.30 126.53 3dak s MET 92 Ca 0.22 -1.66 -0.29 0.00 0.00 0.00 0.00 55.69 53.95 3dak s MET 92 Cb -0.15 -0.14 -0.10 0.00 0.00 0.00 0.00 34.83 34.43 3dak s MET 92 CO 0.09 -0.27 1.45 0.21 0.00 0.00 0.00 175.02 176.50 3dak s LYS 93 N -4.03 4.24 -0.28 2.03 2.20 -0.40 -1.31 119.74 122.19 3dak s LYS 93 Ca 0.33 2.37 -0.24 0.00 -0.36 0.00 0.00 55.97 58.08 3dak s LYS 93 Cb 0.07 -3.07 -0.00 0.00 -1.51 0.00 0.00 37.83 33.32 3dak s LYS 93 CO 0.10 -0.43 0.79 -1.17 -0.36 0.00 0.00 175.35 174.28 3dak s LEU 94 N -0.92 4.08 -0.21 5.43 2.96 -1.26 -4.43 118.68 124.33 3dak s LEU 94 Ca 0.57 0.81 -0.08 0.00 -0.22 0.00 0.00 54.13 55.22 3dak s LEU 94 Cb -0.43 -3.10 -0.04 0.00 0.50 0.00 0.00 46.19 43.12 3dak s LEU 94 CO 0.49 -0.55 0.07 -0.76 -1.32 0.00 0.00 176.35 174.28 3dak s LEU 95 N 2.87 3.70 0.00 -0.68 2.01 -1.26 -4.97 118.68 120.35 3dak s LEU 95 Ca 0.33 -0.03 0.19 0.00 0.01 0.00 0.00 54.13 54.63 3dak s LEU 95 Cb -0.15 -1.96 0.54 0.00 0.01 0.00 0.00 46.19 44.63 3dak s LEU 95 CO 0.10 0.09 1.45 -1.54 1.01 0.00 0.00 176.35 177.46 3dak n SER 96 N 4.13 3.26 -1.17 2.29 3.41 -1.26 -4.50 113.62 119.77 3dak n SER 96 Ca -0.16 -1.99 0.10 0.00 -0.26 0.00 0.00 58.87 56.56 3dak n SER 96 Cb 0.52 -0.40 0.28 0.00 -0.26 0.00 0.00 64.21 64.35 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 1.47 1.96 6.72 5.00 0.00 -0.70 -4.70 105.19 114.95 3dak n GLY 97 Ca 0.20 -0.69 0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 1.51 -1.33 3.98 -0.02 0.00 -1.26 -4.62 105.19 103.45 3dak n GLY 98 Ca 0.21 -1.14 -0.18 0.00 0.00 0.00 0.00 46.02 44.91 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 5.55 0.34 1.61 1.04 -1.26 -1.82 113.70 115.09 3dak s SER 99 Ca 0.00 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 56.01 3dak s SER 99 Cb 0.00 -0.70 0.62 0.00 0.10 0.00 0.00 66.02 66.04 3dak s SER 99 CO 0.00 -0.70 1.90 0.58 0.98 0.00 0.00 173.24 176.00 3dak h VAL 100 N 0.76 1.19 -0.71 5.02 2.07 -0.92 -2.98 116.25 120.68 3dak h VAL 100 Ca -0.41 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 66.44 3dak h VAL 100 Cb 1.27 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.86 3dak h VAL 100 CO 0.49 0.25 0.44 0.25 0.02 0.00 0.00 177.57 179.02 3dak h LEU 101 N 0.53 0.73 -0.68 2.57 5.85 -1.78 -1.57 115.31 120.96 3dak h LEU 101 Ca 0.12 -0.00 0.14 0.00 0.84 0.00 0.00 57.88 58.98 3dak h LEU 101 Cb 0.27 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.05 3dak h LEU 101 CO 0.00 0.50 0.15 0.44 -0.34 0.00 0.00 178.44 179.19 3dak h ASP 102 N 0.86 -0.01 -0.47 1.25 3.32 -1.86 0.21 116.42 119.73 3dak h ASP 102 Ca 0.28 0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.37 3dak h ASP 102 Cb 0.02 0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 3dak h ASP 102 CO -0.11 -0.02 -0.06 0.40 -1.72 0.00 0.00 179.24 177.73 3dak h ILE 103 N 0.26 1.27 -0.16 0.35 2.04 -1.40 -1.74 117.51 118.13 3dak h ILE 103 Ca 0.37 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3dak h ILE 103 Cb 0.60 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3dak h ILE 103 CO -0.47 0.40 0.11 0.40 0.00 0.00 0.00 178.15 178.59 3dak h ILE 104 N 0.71 1.05 -0.27 -0.67 2.04 -0.68 -1.42 117.51 118.27 3dak h ILE 104 Ca 0.12 -0.10 -0.06 0.00 1.00 0.00 0.00 64.86 65.83 3dak h ILE 104 Cb 0.59 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 3dak h ILE 104 CO 0.04 0.05 -0.07 0.11 0.00 0.00 0.00 178.15 178.27 3dak h LYS 105 N 0.21 0.44 0.11 2.37 1.57 -0.77 0.01 116.57 120.51 3dak h LYS 105 Ca 0.06 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3dak h LYS 105 Cb -0.01 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3dak h LYS 105 CO -0.01 0.52 -0.05 1.25 -0.57 0.00 0.00 179.45 180.59 3dak h HIS 106 N 0.41 -0.13 -0.95 -1.35 2.76 -1.14 0.30 115.15 115.05 3dak h HIS 106 Ca 0.08 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.30 3dak h HIS 106 Cb 0.39 0.04 -0.06 0.00 1.55 0.00 0.00 27.41 29.33 3dak h HIS 106 CO 0.01 0.23 0.62 0.82 -1.30 0.00 0.00 177.93 178.31 3dak h ILE 107 N -0.51 1.13 -0.03 6.26 2.04 -0.97 -2.36 117.51 123.06 3dak h ILE 107 Ca -0.01 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.43 3dak h ILE 107 Cb 0.42 -0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 36.36 3dak h ILE 107 CO 0.02 0.21 -0.02 0.58 0.00 0.00 0.00 178.15 178.94 3dak h VAL 108 N 1.17 1.36 -0.22 1.67 2.07 -0.98 -1.95 116.25 119.37 3dak h VAL 108 Ca 0.39 -1.11 0.06 0.00 0.82 0.00 0.00 66.70 66.87 3dak h VAL 108 Cb 0.07 2.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 3dak h VAL 108 CO -0.14 0.30 0.18 0.00 0.02 0.00 0.00 177.57 177.92 3dak h ALA 109 N 0.56 2.09 -0.00 1.67 0.00 -0.84 -1.00 119.26 121.73 3dak h ALA 109 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3dak h ALA 109 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3dak h ALA 109 CO 0.01 -0.29 -0.28 1.63 0.00 0.00 0.00 179.25 180.31 3dak n LYS 110 N -4.25 0.22 -2.12 0.00 5.02 -0.90 -4.96 118.16 111.17 3dak n LYS 110 Ca 0.02 -0.10 -0.11 0.00 -2.02 0.00 0.00 58.31 56.11 3dak n LYS 110 Cb 0.32 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.82 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 1.44 0.04 0.73 0.72 0.00 -0.38 -4.93 105.19 102.82 3dak n GLY 111 Ca 0.08 -0.44 0.06 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.11 1.93 -1.14 1.61 1.02 -0.76 -4.29 120.64 116.91 3dak n GLU 112 Ca -0.13 -1.40 -0.19 0.00 -0.02 0.00 0.00 57.16 55.42 3dak n GLU 112 Cb 0.58 -1.32 0.17 0.00 -0.02 0.00 0.00 31.44 30.85 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 0.63 2.47 0.21 -0.32 1.44 -1.26 -4.60 115.22 113.79 3dak n HIS 113 Ca 0.13 -1.91 0.07 0.00 -2.01 0.00 0.00 57.72 54.00 3dak n HIS 113 Cb 0.34 -0.84 0.41 0.00 0.12 0.00 0.00 29.99 30.01 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 1.14 0.00 -0.06 -1.40 1.57 -1.92 -2.91 116.57 113.00 3dak h LYS 114 Ca 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 3dak h LYS 114 Cb 2.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.56 3dak h LYS 114 CO 0.93 0.30 0.00 -1.13 -0.57 0.00 0.00 179.45 178.98 3dak n SER 115 N -3.52 2.23 0.00 0.86 3.41 -1.26 -3.79 113.62 111.55 3dak n SER 115 Ca -0.00 -2.17 0.00 0.00 -0.26 0.00 0.00 58.87 56.44 3dak n SER 115 Cb 0.46 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 3dak n SER 115 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dak n GLY 116 N -0.47 4.21 0.00 5.00 0.00 -1.05 -1.45 105.19 111.43 3dak n GLY 116 Ca 0.04 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.63 0.00 -3.63 1.61 0.31 0.60 -4.43 118.33 111.16 3dak n VAL 117 Ca 0.00 0.70 -0.37 0.00 -0.01 0.00 0.00 64.34 64.67 3dak n VAL 117 Cb 0.00 -1.49 -0.06 0.00 -0.91 0.00 0.00 33.84 31.38 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 -2.99 4.42 0.71 7.52 1.43 -0.82 -4.92 118.68 124.04 3dak s LEU 118 Ca 0.00 0.77 -0.16 0.00 -1.03 0.00 0.00 54.13 53.70 3dak s LEU 118 Cb 0.00 -2.58 -0.01 0.00 0.03 0.00 0.00 46.19 43.63 3dak s LEU 118 CO 0.00 0.30 0.83 -0.67 0.23 0.00 0.00 176.35 177.04 3dak n ASP 119 N 1.54 -0.04 -0.31 2.29 2.03 -1.26 -4.80 116.55 116.01 3dak n ASP 119 Ca -0.13 0.65 0.04 0.00 0.52 0.00 0.00 54.79 55.87 3dak n ASP 119 Cb 0.53 -1.34 0.23 0.00 -0.72 0.00 0.00 41.12 39.82 3dak n ASP 119 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3dak h GLU 120 N -0.24 1.01 0.00 -0.67 5.08 -1.98 -1.40 114.58 116.37 3dak h GLU 120 Ca -0.47 -0.06 -0.12 0.00 -1.00 0.00 0.00 59.36 57.71 3dak h GLU 120 Cb 1.34 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 3dak h GLU 120 CO 0.46 0.67 -0.59 0.66 -1.00 0.00 0.00 179.01 179.21 3dak h SER 121 N 1.04 0.00 -0.33 1.42 4.64 -1.92 -0.34 113.55 118.06 3dak h SER 121 Ca 0.39 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.57 3dak h SER 121 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3dak h SER 121 CO -0.15 0.59 -0.35 0.74 -0.87 0.00 0.00 176.83 176.79 3dak h THR 122 N 0.00 1.29 -0.07 2.95 2.02 -1.76 -1.51 112.91 115.84 3dak h THR 122 Ca -0.01 -1.52 -0.01 0.00 0.77 0.00 0.00 66.41 65.64 3dak h THR 122 Cb 1.23 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 69.13 3dak h THR 122 CO 0.08 0.50 0.01 0.40 0.37 0.00 0.00 175.52 176.87 3dak h ILE 123 N 0.61 1.22 -0.64 3.11 2.04 -1.15 -1.86 117.51 120.83 3dak h ILE 123 Ca 0.05 -0.68 0.09 0.00 1.00 0.00 0.00 64.86 65.31 3dak h ILE 123 Cb 0.94 1.56 -0.07 0.00 -0.74 0.00 0.00 36.82 38.50 3dak h ILE 123 CO 0.09 0.19 0.29 0.00 0.00 0.00 0.00 178.15 178.72 3dak h ALA 124 N 0.76 0.86 0.02 1.87 0.00 -1.10 0.72 119.26 122.40 3dak h ALA 124 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dak h ALA 124 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dak h ALA 124 CO 0.00 -0.11 -0.01 1.15 0.00 0.00 0.00 179.25 180.28 3dak h THR 125 N 0.51 1.14 -0.30 0.00 2.02 -1.19 -0.98 112.91 114.11 3dak h THR 125 Ca 0.32 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3dak h THR 125 Cb 0.34 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3dak h THR 125 CO -0.27 0.13 0.06 0.40 0.37 0.00 0.00 175.52 176.21 3dak h ILE 126 N -0.25 1.23 -0.06 3.11 2.04 -1.21 -3.09 117.51 119.28 3dak h ILE 126 Ca -0.00 -0.77 -0.17 0.00 1.00 0.00 0.00 64.86 64.92 3dak h ILE 126 Cb 0.24 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3dak h ILE 126 CO 0.00 0.25 -0.70 -0.07 0.00 0.00 0.00 178.15 177.64 3dak h LEU 127 N 0.32 0.34 -0.56 1.44 3.38 -0.89 -2.14 115.31 117.20 3dak h LEU 127 Ca 0.09 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 57.96 3dak h LEU 127 Cb 0.32 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.88 3dak h LEU 127 CO 0.00 0.93 0.02 -0.09 0.09 0.00 0.00 178.44 179.39 3dak h ARG 128 N 0.20 0.13 -0.78 1.13 2.43 -1.22 0.13 114.38 116.40 3dak h ARG 128 Ca -0.02 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3dak h ARG 128 Cb 1.25 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.73 3dak h ARG 128 CO 0.11 0.09 0.40 0.93 -1.51 0.00 0.00 179.97 179.99 3dak h GLU 129 N 0.14 1.11 -0.61 0.20 4.39 -1.39 -1.98 114.58 116.44 3dak h GLU 129 Ca 0.29 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.83 3dak h GLU 129 Cb 0.45 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 3dak h GLU 129 CO -0.46 0.85 0.33 0.28 -1.16 0.00 0.00 179.01 178.84 3dak h VAL 130 N 1.10 1.20 -0.12 3.13 2.07 -0.87 -2.76 116.25 119.99 3dak h VAL 130 Ca 0.27 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 3dak h VAL 130 Cb 0.09 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3dak h VAL 130 CO -0.04 0.22 -0.30 -0.07 0.02 0.00 0.00 177.57 177.40 3dak h LEU 131 N 0.82 0.23 -0.56 2.57 3.38 -0.49 -0.64 115.31 120.63 3dak h LEU 131 Ca 0.21 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3dak h LEU 131 Cb 0.05 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3dak h LEU 131 CO -0.03 0.53 0.20 -0.33 0.09 0.00 0.00 178.44 178.90 3dak h GLU 132 N 0.21 0.85 -0.39 1.13 4.39 -1.26 -0.41 114.58 119.09 3dak h GLU 132 Ca 0.03 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 3dak h GLU 132 Cb 0.63 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3dak h GLU 132 CO 0.05 0.76 -0.07 0.78 -1.16 0.00 0.00 179.01 179.37 3dak h GLY 133 N 0.78 0.80 0.87 -3.84 0.00 -1.14 -2.27 103.07 98.27 3dak h GLY 133 Ca 0.18 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 3dak h GLY 133 CO -0.01 0.59 0.07 1.41 0.00 0.00 0.00 176.54 178.59 3dak h LEU 134 N 0.55 0.33 -0.36 3.11 3.38 -1.11 -1.88 115.31 119.34 3dak h LEU 134 Ca 0.10 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.92 3dak h LEU 134 Cb 0.57 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.18 3dak h LEU 134 CO 0.03 0.46 0.03 -0.08 0.09 0.00 0.00 178.44 178.97 3dak h GLU 135 N 0.19 0.14 -0.21 1.13 4.57 -1.11 0.24 114.58 119.53 3dak h GLU 135 Ca 0.07 -0.01 0.05 0.00 -1.18 0.00 0.00 59.36 58.30 3dak h GLU 135 Cb 0.25 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.73 3dak h GLU 135 CO -0.00 0.09 -0.37 -0.92 -1.18 0.00 0.00 179.01 176.63 3dak h TYR 136 N 0.14 -1.03 -0.88 0.92 3.20 -1.36 -0.92 116.97 117.05 3dak h TYR 136 Ca 0.17 0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.14 3dak h TYR 136 Cb 0.22 0.48 -0.06 0.00 1.54 0.00 0.00 36.73 38.92 3dak h TYR 136 CO -0.22 -0.43 0.56 -0.07 -1.64 0.00 0.00 178.16 176.36 3dak h LEU 137 N -0.39 0.91 -0.46 2.82 3.38 -0.83 -2.60 115.31 118.13 3dak h LEU 137 Ca 0.11 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3dak h LEU 137 Cb 0.58 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3dak h LEU 137 CO -0.43 0.61 0.09 0.45 0.09 0.00 0.00 178.44 179.26 3dak h HIS 138 N 1.06 0.80 -0.97 1.13 3.86 -0.40 0.76 115.15 121.39 3dak h HIS 138 Ca 0.36 -0.10 0.20 0.00 -1.16 0.00 0.00 60.37 59.67 3dak h HIS 138 Cb 0.06 -0.22 -0.09 0.00 1.06 0.00 0.00 27.41 28.22 3dak h HIS 138 CO -0.02 0.73 0.62 0.87 0.86 0.00 0.00 177.93 180.99 3dak h LYS 139 N 0.63 0.57 -0.44 2.45 1.57 -0.99 -1.57 116.57 118.80 3dak h LYS 139 Ca 0.14 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3dak h LYS 139 Cb 0.35 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3dak h LYS 139 CO 0.01 0.38 0.00 0.09 -0.57 0.00 0.00 179.45 179.35 3dak n ASN 140 N -4.64 1.52 -0.51 0.86 3.02 -1.00 -4.91 115.26 109.61 3dak n ASN 140 Ca 0.22 -2.09 -0.06 0.00 -0.03 0.00 0.00 54.58 52.62 3dak n ASN 140 Cb 0.65 -0.28 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 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 0.61 0.78 3.78 7.41 0.00 -0.59 -5.02 105.19 112.15 3dak n GLY 141 Ca 0.07 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.73 2.71 -0.03 1.61 -1.52 0.24 -5.01 119.66 114.93 3dak s GLN 142 Ca 0.00 -1.21 0.04 0.00 -1.95 0.00 0.00 55.36 52.24 3dak s GLN 142 Cb 0.00 -2.43 -0.00 0.00 -0.22 0.00 0.00 33.01 30.36 3dak s GLN 142 CO 0.00 0.34 -0.14 0.42 -0.25 0.00 0.00 175.29 175.65 3dak s ILE 143 N -2.22 1.20 -0.02 1.08 1.01 -1.26 -3.81 121.20 117.17 3dak s ILE 143 Ca 0.34 -0.60 -0.22 0.00 0.00 0.00 0.00 60.65 60.17 3dak s ILE 143 Cb -0.07 -1.03 -0.24 0.00 0.01 0.00 0.00 42.46 41.14 3dak s ILE 143 CO 0.24 0.35 1.06 -0.74 0.00 0.00 0.00 174.94 175.85 3dak h HIS 144 N 6.16 0.47 0.00 3.97 -0.00 -1.95 -3.45 115.15 120.34 3dak h HIS 144 Ca -0.33 -0.26 0.00 0.00 -0.00 0.00 0.00 60.37 59.78 3dak h HIS 144 Cb 1.17 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 3dak h HIS 144 CO 0.43 1.08 0.00 0.54 -0.00 0.00 0.00 177.93 179.97 3dak n ARG 145 N -4.33 0.00 -2.79 5.26 1.74 -1.26 -4.65 116.66 110.64 3dak n ARG 145 Ca -0.10 0.00 -0.19 0.00 -0.77 0.00 0.00 57.85 56.78 3dak n ARG 145 Cb 0.61 -0.36 -0.01 0.00 -1.02 0.00 0.00 32.46 31.69 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 0.59 2.78 -4.67 0.55 2.03 -1.26 -4.99 116.55 111.57 3dak n ASP 146 Ca 0.00 -3.24 -0.43 0.00 0.52 0.00 0.00 54.79 51.64 3dak n ASP 146 Cb 0.00 -0.54 -0.02 0.00 -0.72 0.00 0.00 41.12 39.84 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 -3.88 4.37 0.01 5.18 1.01 -1.26 -4.81 120.40 121.02 3dak s VAL 147 Ca 0.40 1.67 -0.29 0.00 0.00 0.00 0.00 61.98 63.76 3dak s VAL 147 Cb 0.38 -4.08 0.10 0.00 0.00 0.00 0.00 36.38 32.79 3dak s VAL 147 CO -0.08 -0.07 1.01 -1.59 0.00 0.00 0.00 175.10 174.36 3dak s LYS 148 N 2.75 0.81 0.28 2.72 -2.85 -1.26 -4.66 119.74 117.52 3dak s LYS 148 Ca 0.53 -0.37 -0.01 0.00 -1.00 0.00 0.00 55.97 55.12 3dak s LYS 148 Cb -0.22 0.32 0.46 0.00 -2.06 0.00 0.00 37.83 36.33 3dak s LYS 148 CO 0.17 -0.36 1.88 0.00 0.10 0.00 0.00 175.35 177.14 3dak h ALA 149 N 2.00 1.44 -0.04 0.59 0.00 -1.93 -1.31 119.26 120.00 3dak h ALA 149 Ca -0.22 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.69 3dak h ALA 149 Cb 1.22 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 3dak h ALA 149 CO 0.28 0.40 0.10 0.78 0.00 0.00 0.00 179.25 180.81 3dak h GLY 150 N 1.12 0.00 -1.81 0.00 0.00 -1.95 -2.27 103.07 98.16 3dak h GLY 150 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3dak h GLY 150 CO -0.18 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.06 3dak n ASN 151 N -3.37 3.08 -4.42 0.19 3.02 -0.50 -4.84 115.26 108.43 3dak n ASN 151 Ca -0.02 -1.89 -0.42 0.00 -0.03 0.00 0.00 54.58 52.22 3dak n ASN 151 Cb 0.18 -0.21 -0.11 0.00 -0.61 0.00 0.00 39.78 39.03 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 -1.23 4.90 0.00 2.41 1.01 -0.87 0.94 121.20 128.37 3dak s ILE 152 Ca 0.31 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.20 3dak s ILE 152 Cb 0.18 -3.74 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3dak s ILE 152 CO 0.24 -0.28 0.03 -0.76 0.00 0.00 0.00 174.94 174.18 3dak s LEU 153 N 1.61 3.65 -0.10 2.97 1.43 0.85 -0.65 118.68 128.43 3dak s LEU 153 Ca 0.03 0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.17 3dak s LEU 153 Cb -0.19 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 3dak s LEU 153 CO 0.08 0.27 -0.08 -0.76 0.23 0.00 0.00 176.35 176.09 3dak s LEU 154 N -1.66 3.05 0.30 1.79 1.43 -0.76 -0.68 118.68 122.15 3dak s LEU 154 Ca 0.21 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 3dak s LEU 154 Cb -0.12 -1.69 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 3dak s LEU 154 CO 0.12 0.27 0.56 -0.83 0.23 0.00 0.00 176.35 176.70 3dak s GLY 155 N -0.23 1.83 0.00 -3.19 0.00 -0.40 -1.72 107.32 103.60 3dak s GLY 155 Ca 0.03 -0.56 0.14 0.00 0.00 0.00 0.00 44.72 44.32 3dak s GLY 155 CO 0.03 -0.46 1.37 1.18 0.00 0.00 0.00 173.10 175.22 3dak n GLU 156 N -1.01 0.17 -0.02 2.90 1.02 -1.26 -1.26 120.64 121.17 3dak n GLU 156 Ca -0.02 0.17 0.11 0.00 -0.02 0.00 0.00 57.16 57.41 3dak n GLU 156 Cb 0.54 -1.50 0.57 0.00 -0.02 0.00 0.00 31.44 31.03 3dak n GLU 156 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3dak n ASP 157 N -1.31 0.68 0.00 1.62 5.75 -1.26 -4.92 116.55 117.11 3dak n ASP 157 Ca 0.06 -1.44 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 3dak n ASP 157 Cb 0.11 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 0.98 0.75 3.83 6.12 0.00 -0.39 -5.06 105.19 111.42 3dak n GLY 158 Ca 0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.51 5.99 -0.13 1.61 1.04 -1.25 -4.82 113.70 113.63 3dak s SER 159 Ca 0.00 1.60 0.01 0.00 0.48 0.00 0.00 55.95 58.04 3dak s SER 159 Cb 0.00 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.64 3dak s SER 159 CO 0.00 -1.02 -0.14 -0.69 0.98 0.00 0.00 173.24 172.37 3dak s VAL 160 N -2.83 1.46 -0.03 5.02 1.01 -1.26 -1.28 120.40 122.49 3dak s VAL 160 Ca 0.59 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.99 3dak s VAL 160 Cb -0.13 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.90 3dak s VAL 160 CO 0.44 0.44 -0.01 -1.10 0.00 0.00 0.00 175.10 174.87 3dak s GLN 161 N 1.35 0.38 0.07 2.72 -0.21 0.14 -4.43 119.66 119.68 3dak s GLN 161 Ca 0.01 0.02 -0.30 0.00 0.02 0.00 0.00 55.36 55.11 3dak s GLN 161 Cb -0.13 -0.50 -0.05 0.00 1.00 0.00 0.00 33.01 33.32 3dak s GLN 161 CO -0.07 -0.09 1.05 0.42 -2.12 0.00 0.00 175.29 174.47 3dak s ILE 162 N 0.83 4.41 0.30 1.08 1.01 -0.30 -0.11 121.20 128.43 3dak s ILE 162 Ca -0.09 1.85 0.06 0.00 0.00 0.00 0.00 60.65 62.47 3dak s ILE 162 Cb -0.12 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.15 3dak s ILE 162 CO -0.01 0.21 0.43 0.00 0.00 0.00 0.00 174.94 175.57 3dak s ALA 163 N 0.56 4.13 -0.29 9.38 0.00 0.27 -1.02 121.76 134.79 3dak s ALA 163 Ca 0.52 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 51.10 3dak s ALA 163 Cb -0.25 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.18 3dak s ALA 163 CO 0.30 0.06 0.00 -0.25 0.00 0.00 0.00 175.76 175.87 3dak n ASP 164 N -1.56 -3.51 -4.76 0.00 8.00 -1.26 -4.91 116.55 108.55 3dak n ASP 164 Ca -0.03 0.07 -0.41 0.00 0.71 0.00 0.00 54.79 55.12 3dak n ASP 164 Cb 0.58 -1.25 -0.01 0.00 -0.02 0.00 0.00 41.12 40.42 3dak n ASP 164 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3dak s PHE 165 N -2.04 2.70 0.00 1.24 5.36 -1.26 -1.13 117.98 122.86 3dak s PHE 165 Ca 0.00 0.87 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 3dak s PHE 165 Cb 0.00 -4.06 0.00 0.00 -0.34 0.00 0.00 43.02 38.62 3dak s PHE 165 CO 0.00 -3.46 0.00 0.41 -1.46 0.00 0.00 175.22 170.71 3dak n GLY 166 N 1.74 0.95 0.13 13.12 0.00 -1.26 -4.59 105.19 115.28 3dak n GLY 166 Ca 0.06 -1.22 -0.07 0.00 0.00 0.00 0.00 46.02 44.80 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 0.80 -0.02 1.61 2.07 -1.82 -1.74 116.25 117.16 3dak h VAL 167 Ca 0.00 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 3dak h VAL 167 Cb 0.00 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3dak h VAL 167 CO 0.00 0.01 -0.00 0.28 0.02 0.00 0.00 177.57 177.88 3dak h SER 168 N 0.08 0.03 -0.71 0.57 0.02 -1.81 0.07 113.55 111.80 3dak h SER 168 Ca 0.13 -0.35 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3dak h SER 168 Cb 0.17 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.67 3dak h SER 168 CO -0.22 0.37 0.47 0.00 -1.14 0.00 0.00 176.83 176.30 3dak h ALA 169 N 0.66 0.90 -0.23 3.77 0.00 -1.13 0.11 119.26 123.35 3dak h ALA 169 Ca 0.00 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3dak h ALA 169 Cb 0.35 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3dak h ALA 169 CO 0.00 0.31 -0.08 0.35 0.00 0.00 0.00 179.25 179.83 3dak h PHE 170 N 0.95 -0.18 -0.32 0.00 3.57 -1.21 -2.78 116.94 116.98 3dak h PHE 170 Ca 0.26 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.64 3dak h PHE 170 Cb -0.10 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3dak h PHE 170 CO -0.03 -0.13 -0.37 -0.07 -2.23 0.00 0.00 178.31 175.48 3dak h LEU 171 N -0.03 0.80 -0.77 0.59 3.38 -0.79 -0.12 115.31 118.37 3dak h LEU 171 Ca 0.12 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3dak h LEU 171 Cb 0.21 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3dak h LEU 171 CO -0.26 1.09 0.00 0.00 0.09 0.00 0.00 178.44 179.36 3dak n ALA 172 N -2.52 1.32 -0.24 1.53 0.00 0.01 -3.06 120.51 117.55 3dak n ALA 172 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3dak n ALA 172 Cb 0.52 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3dak n ALA 172 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3dak n THR 173 N -2.03 0.40 0.00 0.00 5.66 -1.06 -5.00 114.28 112.25 3dak n THR 173 Ca 0.01 -0.58 0.00 0.00 -3.05 0.00 0.00 64.05 60.43 3dak n THR 173 Cb 0.11 0.92 0.00 0.00 -1.55 0.00 0.00 70.33 69.80 3dak n THR 173 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dak n GLY 174 N -0.20 1.07 7.00 1.09 0.00 -1.13 -5.05 105.19 107.98 3dak n GLY 174 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.80 3.49 0.00 -0.02 0.00 -0.07 -5.04 105.19 101.74 3dak n GLY 175 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3dak n GLY 175 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3dak n VAL 187 N 0.00 0.00 0.00 1.61 0.24 -1.26 -5.00 118.33 113.92 3dak n VAL 187 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3dak n VAL 187 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3dak n VAL 187 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3dak n GLY 188 N 0.00 -0.54 3.53 7.63 0.00 -1.26 -5.04 105.19 109.50 3dak n GLY 188 Ca 0.00 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3dak n GLY 188 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dak s THR 189 N -2.84 5.04 -0.17 2.61 2.01 -1.26 -5.00 115.64 116.04 3dak s THR 189 Ca 0.00 0.05 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 3dak s THR 189 Cb 0.00 -3.99 0.13 0.00 0.01 0.00 0.00 72.50 68.65 3dak s THR 189 CO 0.00 -0.30 1.88 -0.81 -0.69 0.00 0.00 174.62 174.70 3dak n PRO 190 N 5.70 1.43 0.22 4.92 -0.04 -1.26 -4.70 135.00 141.27 3dak n PRO 190 Ca -0.06 -0.87 0.17 0.00 -0.04 0.00 0.00 63.50 62.71 3dak n PRO 190 Cb 0.48 -1.34 0.85 0.00 -0.04 0.00 0.00 33.50 33.45 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 -3.71 0.00 -2.39 0.00 8.01 -1.26 -4.98 117.44 113.11 3dak n TRP 192 Ca 0.01 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.78 3dak n TRP 192 Cb 0.32 -0.01 -0.03 0.00 -2.01 0.00 0.00 31.31 29.58 3dak n TRP 192 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3dak s MET 193 N -2.47 4.44 0.54 -0.99 -1.94 -0.98 -5.00 119.30 112.90 3dak s MET 193 Ca 0.19 1.82 -0.22 0.00 -1.71 0.00 0.00 55.69 55.77 3dak s MET 193 Cb 0.18 -3.31 -0.06 0.00 2.01 0.00 0.00 34.83 33.65 3dak s MET 193 CO 0.56 -0.23 1.28 0.00 -0.01 0.00 0.00 175.02 176.62 3dak n ALA 194 N 3.63 1.30 -0.02 3.03 0.00 -1.26 -4.78 120.51 122.41 3dak n ALA 194 Ca 0.08 0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.72 3dak n ALA 194 Cb 0.46 -2.30 0.46 0.00 0.00 0.00 0.00 19.45 18.06 3dak n ALA 194 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3dak h PRO 195 N 1.37 0.47 -0.01 0.00 0.13 -1.98 -0.27 132.00 131.70 3dak h PRO 195 Ca -0.50 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 64.51 3dak h PRO 195 Cb 1.31 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3dak h PRO 195 CO 0.56 0.31 -0.45 1.05 -0.23 0.00 0.00 178.00 179.24 3dak h GLU 196 N 0.48 0.03 0.01 0.86 9.09 -1.99 0.20 114.58 123.25 3dak h GLU 196 Ca 0.19 -0.01 -0.00 0.00 0.05 0.00 0.00 59.36 59.59 3dak h GLU 196 Cb 0.16 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.26 3dak h GLU 196 CO -0.05 0.47 -0.00 0.28 0.05 0.00 0.00 179.01 179.76 3dak h VAL 197 N 0.02 1.49 -0.93 -1.06 2.07 -1.65 -3.04 116.25 113.15 3dak h VAL 197 Ca -0.00 -1.50 0.14 0.00 0.82 0.00 0.00 66.70 66.15 3dak h VAL 197 Cb 0.81 2.50 -0.09 0.00 -1.52 0.00 0.00 31.29 32.99 3dak h VAL 197 CO 0.06 0.39 0.55 0.24 0.02 0.00 0.00 177.57 178.83 3dak h MET 198 N -0.66 0.80 -0.47 1.57 2.86 -0.93 -1.17 114.93 116.93 3dak h MET 198 Ca -0.00 -0.05 0.07 0.00 -2.06 0.00 0.00 59.70 57.66 3dak h MET 198 Cb 0.64 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 32.06 3dak h MET 198 CO 0.00 0.53 0.11 1.49 1.06 0.00 0.00 176.91 180.10 3dak h GLU 199 N 0.82 0.25 0.00 1.72 4.57 -0.65 -0.68 114.58 120.61 3dak h GLU 199 Ca 0.49 -0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.53 3dak h GLU 199 Cb 0.59 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.11 3dak h GLU 199 CO -0.31 0.17 -0.58 -0.56 -1.18 0.00 0.00 179.01 176.54 3dak h GLN 200 N 0.26 0.00 -0.24 1.92 3.07 -1.30 -2.56 115.11 116.26 3dak h GLN 200 Ca 0.23 0.00 0.03 0.00 0.09 0.00 0.00 58.65 59.00 3dak h GLN 200 Cb 0.28 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.82 3dak h GLN 200 CO -0.28 0.58 0.08 0.28 0.09 0.00 0.00 178.83 179.58 3dak h VAL 201 N 0.00 0.93 0.00 1.86 2.07 -0.87 -3.04 116.25 117.20 3dak h VAL 201 Ca -0.01 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 3dak h VAL 201 Cb 1.09 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 3dak h VAL 201 CO 0.08 0.03 -0.18 -0.09 0.02 0.00 0.00 177.57 177.43 3dak h ARG 202 N 0.18 0.00 0.00 1.57 2.43 -1.07 -3.49 114.38 114.00 3dak h ARG 202 Ca 0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3dak h ARG 202 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3dak h ARG 202 CO -0.11 0.18 0.00 0.41 -1.51 0.00 0.00 179.97 178.94 3dak n GLY 203 N -0.03 0.43 3.51 2.80 0.00 -0.97 -4.92 105.19 106.01 3dak n GLY 203 Ca -0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 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 0.57 0.00 1.61 -0.85 -1.26 -4.74 117.35 112.68 3dak s TYR 204 Ca 0.00 -0.90 0.00 0.00 -0.52 0.00 0.00 57.07 55.65 3dak s TYR 204 Cb 0.00 0.03 0.00 0.00 0.38 0.00 0.00 41.96 42.37 3dak s TYR 204 CO 0.00 -0.95 0.00 -0.40 -1.52 0.00 0.00 175.55 172.68 3dak n ASP 205 N -0.46 0.76 0.25 -0.18 5.68 -1.26 -5.04 116.55 116.30 3dak n ASP 205 Ca -0.01 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.42 3dak n ASP 205 Cb 0.63 0.00 0.61 0.00 -1.14 0.00 0.00 41.12 41.22 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 0.00 0.00 -0.07 2.11 -0.00 -1.98 -1.49 116.94 115.51 3dak h PHE 206 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.97 57.99 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 0.11 0.07 0.87 -0.00 0.00 0.00 178.31 179.36 3dak h LYS 207 N 0.00 0.00 -0.74 6.09 1.79 -1.94 -0.66 116.57 121.11 3dak h LYS 207 Ca -0.00 0.00 0.15 0.00 -2.18 0.00 0.00 60.65 58.62 3dak h LYS 207 Cb 0.58 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.12 3dak h LYS 207 CO 0.01 0.00 0.21 0.00 -1.08 0.00 0.00 179.45 178.60 3dak h ALA 208 N 1.92 0.98 -0.10 3.86 0.00 -1.66 -1.82 119.26 122.45 3dak h ALA 208 Ca 0.04 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3dak h ALA 208 Cb 0.18 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3dak h ALA 208 CO -0.00 -0.30 0.08 -0.44 0.00 0.00 0.00 179.25 178.59 3dak h ASP 209 N 0.32 0.00 0.13 0.00 3.32 -1.31 -2.46 116.42 116.42 3dak h ASP 209 Ca 0.41 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.19 3dak h ASP 209 Cb 0.68 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.25 3dak h ASP 209 CO -0.47 0.00 -1.09 0.40 -1.72 0.00 0.00 179.24 176.36 3dak h ILE 210 N 0.00 1.31 0.44 0.35 1.08 -1.39 0.48 117.51 119.78 3dak h ILE 210 Ca 0.05 -2.38 -0.01 0.00 -0.39 0.00 0.00 64.86 62.13 3dak h ILE 210 Cb 0.21 2.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.44 3dak h ILE 210 CO -0.00 0.73 -0.34 -0.25 -0.69 0.00 0.00 178.15 177.60 3dak h TRP 211 N 0.32 -0.90 -0.83 1.37 2.91 -1.15 -1.28 115.95 116.39 3dak h TRP 211 Ca -0.14 -0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.02 3dak h TRP 211 Cb 1.75 0.34 -0.09 0.00 -0.51 0.00 0.00 29.16 30.64 3dak h TRP 211 CO 0.10 -0.49 0.42 0.77 -1.03 0.00 0.00 178.44 178.20 3dak h SER 212 N -0.77 0.50 -0.46 2.65 0.02 -1.37 -0.16 113.55 113.97 3dak h SER 212 Ca -0.04 0.09 0.08 0.00 -0.84 0.00 0.00 61.79 61.08 3dak h SER 212 Cb 0.66 0.01 -0.07 0.00 0.14 0.00 0.00 62.40 63.14 3dak h SER 212 CO -0.00 0.21 0.07 0.15 -1.14 0.00 0.00 176.83 176.12 3dak h PHE 213 N 0.60 0.10 -0.95 3.45 3.57 -0.83 0.11 116.94 123.00 3dak h PHE 213 Ca 0.45 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.98 3dak h PHE 213 Cb 0.63 0.03 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 3dak h PHE 213 CO -0.10 -0.03 0.59 0.78 -2.23 0.00 0.00 178.31 177.32 3dak h GLY 214 N 0.19 1.36 1.43 2.40 0.00 0.17 -1.44 103.07 107.19 3dak h GLY 214 Ca 0.23 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 3dak h GLY 214 CO -0.33 0.54 -0.24 -2.22 0.00 0.00 0.00 176.54 174.29 3dak h ILE 215 N 1.30 1.27 -0.89 2.60 1.08 -0.99 -2.99 117.51 118.88 3dak h ILE 215 Ca 0.34 -1.33 -0.02 0.00 -0.39 0.00 0.00 64.86 63.47 3dak h ILE 215 Cb -0.08 1.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.91 3dak h ILE 215 CO -0.07 0.43 0.49 0.74 -0.69 0.00 0.00 178.15 179.05 3dak h THR 216 N 0.57 1.26 -0.45 -0.27 2.02 -0.43 -0.87 112.91 114.74 3dak h THR 216 Ca 0.08 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.56 3dak h THR 216 Cb 0.72 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3dak h THR 216 CO 0.06 0.29 0.01 0.00 0.37 0.00 0.00 175.52 176.25 3dak h ALA 217 N 1.29 1.18 -0.36 6.16 0.00 -1.15 -1.60 119.26 124.77 3dak h ALA 217 Ca 0.31 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3dak h ALA 217 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3dak h ALA 217 CO -0.05 0.54 0.14 0.82 0.00 0.00 0.00 179.25 180.70 3dak h ILE 218 N 0.69 1.20 -0.64 0.00 2.04 -1.35 -2.15 117.51 117.30 3dak h ILE 218 Ca 0.14 -0.61 0.07 0.00 1.00 0.00 0.00 64.86 65.46 3dak h ILE 218 Cb 0.41 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.35 3dak h ILE 218 CO 0.02 0.22 0.33 -0.08 0.00 0.00 0.00 178.15 178.63 3dak h GLU 219 N 0.44 0.59 -0.11 2.37 4.81 -0.89 0.16 114.58 121.95 3dak h GLU 219 Ca 0.12 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 3dak h GLU 219 Cb 0.20 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3dak h GLU 219 CO -0.01 0.39 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.41 3dak h LEU 220 N 0.60 0.17 0.20 1.64 4.07 -1.10 0.14 115.31 121.03 3dak h LEU 220 Ca 0.30 -0.04 -0.33 0.00 0.08 0.00 0.00 57.88 57.89 3dak h LEU 220 Cb 0.23 -0.04 0.02 0.00 1.08 0.00 0.00 40.66 41.95 3dak h LEU 220 CO -0.21 0.37 -1.57 0.00 -1.08 0.00 0.00 178.44 175.95 3dak h ALA 221 N 1.65 0.04 0.00 1.53 0.00 -0.80 -2.17 119.26 119.51 3dak h ALA 221 Ca 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.92 3dak h ALA 221 Cb 0.42 0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3dak h ALA 221 CO 0.03 0.85 -1.01 0.25 0.00 0.00 0.00 179.25 179.37 3dak n THR 222 N -3.71 0.00 0.00 0.00 -2.24 0.50 -0.29 114.28 108.54 3dak n THR 222 Ca -0.22 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3dak n THR 222 Cb 1.05 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.86 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 1.66 0.53 3.39 3.38 0.00 0.48 -4.84 105.19 109.78 3dak n GLY 223 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.13 -1.36 0.61 4.61 0.00 -1.21 -4.95 121.76 117.32 3dak s ALA 224 Ca 0.00 0.40 -0.19 0.00 0.00 0.00 0.00 51.96 52.17 3dak s ALA 224 Cb 0.00 0.69 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 3dak s ALA 224 CO 0.00 -0.66 1.26 0.00 0.00 0.00 0.00 175.76 176.36 3dak s ALA 225 N -3.37 2.52 0.28 0.00 0.00 -1.26 -3.48 121.76 116.45 3dak s ALA 225 Ca -0.00 1.13 0.01 0.00 0.00 0.00 0.00 51.96 53.10 3dak s ALA 225 Cb -0.00 -3.50 0.56 0.00 0.00 0.00 0.00 23.12 20.18 3dak s ALA 225 CO -0.09 -1.35 1.83 -1.35 0.00 0.00 0.00 175.76 174.79 3dak h PRO 226 N 0.84 0.94 -0.78 0.00 0.11 -1.91 -2.60 132.00 128.60 3dak h PRO 226 Ca -0.51 -0.06 -0.37 0.00 0.11 0.00 0.00 66.00 65.18 3dak h PRO 226 Cb 1.31 -0.21 -0.22 0.00 0.11 0.00 0.00 31.00 31.99 3dak h PRO 226 CO 0.55 0.62 0.39 0.66 -0.21 0.00 0.00 178.00 180.01 3dak n TYR 227 N -4.64 2.44 0.29 0.65 4.01 -1.26 -3.49 117.16 115.16 3dak n TYR 227 Ca 0.19 -1.64 0.18 0.00 -0.16 0.00 0.00 57.90 56.48 3dak n TYR 227 Cb 0.37 -0.78 0.98 0.00 -0.31 0.00 0.00 39.34 39.61 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 1.35 0.00 0.00 -0.72 2.07 -1.84 -2.21 115.15 113.80 3dak h HIS 228 Ca 0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 3dak h HIS 228 Cb 2.45 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.43 3dak h HIS 228 CO 1.38 0.00 0.00 0.87 -3.07 0.00 0.00 177.93 177.11 3dak h LYS 229 N 0.00 0.00 -6.22 5.12 1.79 -1.86 -3.46 116.57 111.94 3dak h LYS 229 Ca 0.03 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.96 3dak h LYS 229 Cb 0.24 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 3dak h LYS 229 CO -0.00 0.00 -0.33 0.71 -1.08 0.00 0.00 179.45 178.75 3dak s TYR 230 N -3.42 3.48 0.84 -1.35 1.51 -0.83 -5.10 117.35 112.48 3dak s TYR 230 Ca 0.04 0.35 -0.12 0.00 -1.01 0.00 0.00 57.07 56.33 3dak s TYR 230 Cb 0.07 -1.86 0.10 0.00 -0.11 0.00 0.00 41.96 40.17 3dak s TYR 230 CO 0.59 0.38 1.16 -1.25 -1.11 0.00 0.00 175.55 175.32 3dak s PRO 231 N -3.30 1.55 0.44 -1.71 0.04 -1.26 -4.73 135.00 126.02 3dak s PRO 231 Ca 0.38 1.56 0.10 0.00 0.04 0.00 0.00 61.00 63.08 3dak s PRO 231 Cb -0.11 -1.79 0.96 0.00 0.04 0.00 0.00 34.50 33.60 3dak s PRO 231 CO 0.29 -2.24 2.07 -1.35 0.04 0.00 0.00 177.00 175.81 3dak h PRO 232 N -1.26 0.37 -0.04 0.56 0.11 -1.98 -1.28 132.00 128.47 3dak h PRO 232 Ca -0.45 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.44 3dak h PRO 232 Cb 1.27 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3dak h PRO 232 CO 0.45 0.27 -0.80 0.52 -0.21 0.00 0.00 178.00 178.23 3dak h MET 233 N 0.38 0.37 0.00 1.05 2.86 -2.02 -3.13 114.93 114.43 3dak h MET 233 Ca 0.10 -0.34 -0.04 0.00 -2.06 0.00 0.00 59.70 57.36 3dak h MET 233 Cb -0.00 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 3dak h MET 233 CO -0.02 1.00 -0.18 0.87 1.06 0.00 0.00 176.91 179.63 3dak h LYS 234 N 0.23 0.00 -0.53 1.72 1.57 -1.74 -3.14 116.57 114.69 3dak h LYS 234 Ca -0.04 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3dak h LYS 234 Cb 1.40 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.68 3dak h LYS 234 CO 0.14 0.18 0.34 0.28 -0.57 0.00 0.00 179.45 179.82 3dak h VAL 235 N 0.00 1.12 -0.32 0.50 2.07 -1.20 0.61 116.25 119.02 3dak h VAL 235 Ca -0.00 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.35 3dak h VAL 235 Cb 0.60 0.36 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 3dak h VAL 235 CO 0.02 0.13 -0.19 -0.07 0.02 0.00 0.00 177.57 177.48 3dak h LEU 236 N 0.70 -0.64 0.02 2.57 4.07 -1.59 -1.10 115.31 119.34 3dak h LEU 236 Ca 0.20 0.14 -0.20 0.00 0.08 0.00 0.00 57.88 58.09 3dak h LEU 236 Cb -0.07 0.33 0.02 0.00 1.08 0.00 0.00 40.66 42.03 3dak h LEU 236 CO -0.05 -0.23 -0.81 0.24 -1.08 0.00 0.00 178.44 176.51 3dak h MET 237 N -0.15 0.51 -0.78 1.13 2.86 -1.55 -2.06 114.93 114.89 3dak h MET 237 Ca 0.17 -0.58 0.14 0.00 -2.06 0.00 0.00 59.70 57.37 3dak h MET 237 Cb 0.41 0.17 -0.09 0.00 0.06 0.00 0.00 31.60 32.14 3dak h MET 237 CO -0.42 1.21 0.34 -0.07 1.06 0.00 0.00 176.91 179.03 3dak h LEU 238 N 0.07 0.35 0.04 1.22 4.07 0.33 0.22 115.31 121.61 3dak h LEU 238 Ca -0.11 0.10 -0.00 0.00 0.08 0.00 0.00 57.88 57.95 3dak h LEU 238 Cb 1.51 0.07 0.00 0.00 1.08 0.00 0.00 40.66 43.32 3dak h LEU 238 CO 0.16 0.13 -0.02 0.74 -1.08 0.00 0.00 178.44 178.37 3dak h THR 239 N 0.49 1.29 -0.34 0.22 2.02 -1.17 -2.92 112.91 112.50 3dak h THR 239 Ca 0.43 -1.16 -0.02 0.00 0.77 0.00 0.00 66.41 66.43 3dak h THR 239 Cb 0.64 2.05 -0.02 0.00 -1.74 0.00 0.00 68.15 69.08 3dak h THR 239 CO -0.39 0.29 0.13 -0.07 0.37 0.00 0.00 175.52 175.85 3dak h LEU 240 N -0.58 0.43 0.00 2.58 4.07 -1.20 -3.16 115.31 117.45 3dak h LEU 240 Ca -0.01 -0.04 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 3dak h LEU 240 Cb 0.52 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 42.14 3dak h LEU 240 CO 0.01 0.40 -0.35 1.56 -1.08 0.00 0.00 178.44 178.97 3dak h GLN 241 N 0.48 0.00 -6.08 1.13 4.20 -0.95 -3.47 115.11 110.42 3dak h GLN 241 Ca 0.12 0.00 -0.56 0.00 0.06 0.00 0.00 58.65 58.27 3dak h GLN 241 Cb 0.11 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.80 3dak h GLN 241 CO -0.01 0.12 -0.56 -0.80 -0.67 0.00 0.00 178.83 176.90 3dak s ASN 242 N -6.09 4.55 0.77 1.46 -0.87 -1.11 -5.09 114.94 108.56 3dak s ASN 242 Ca 0.05 -0.82 -0.15 0.00 -1.57 0.00 0.00 52.86 50.37 3dak s ASN 242 Cb 0.06 -0.69 0.03 0.00 -0.02 0.00 0.00 41.25 40.64 3dak s ASN 242 CO 0.71 -0.27 0.95 0.47 -2.57 0.00 0.00 177.10 176.40 3dak n ASP 243 N -1.08 0.28 -4.58 -1.22 8.00 -1.26 -4.91 116.55 111.77 3dak n ASP 243 Ca -0.04 0.61 -0.39 0.00 0.71 0.00 0.00 54.79 55.68 3dak n ASP 243 Cb 0.61 -1.40 0.03 0.00 -0.02 0.00 0.00 41.12 40.34 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 -2.18 1.00 -1.31 -0.24 -0.02 -1.26 -4.96 135.00 126.03 3dak n PRO 244 Ca 0.12 0.37 -0.29 0.00 -2.02 0.00 0.00 63.50 61.69 3dak n PRO 244 Cb 0.50 -2.03 0.15 0.00 -0.02 0.00 0.00 33.50 32.10 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 -2.33 1.01 0.33 0.52 0.04 -1.26 -5.09 135.00 128.22 3dak s PRO 245 Ca 0.69 0.56 0.04 0.00 0.04 0.00 0.00 61.00 62.34 3dak s PRO 245 Cb -0.48 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 3dak s PRO 245 CO 0.52 -2.34 0.17 -1.54 0.04 0.00 0.00 177.00 173.85 3dak s SER 246 N -3.63 1.86 0.35 6.66 1.04 -1.26 -4.95 113.70 113.77 3dak s SER 246 Ca 0.64 -1.61 0.17 0.00 0.48 0.00 0.00 55.95 55.63 3dak s SER 246 Cb -0.17 0.43 1.21 0.00 0.10 0.00 0.00 66.02 67.59 3dak s SER 246 CO 0.56 -0.92 1.62 -0.07 0.98 0.00 0.00 173.24 175.41 3dak h LEU 247 N 2.10 0.41 -0.25 2.42 3.38 -1.96 -1.58 115.31 119.83 3dak h LEU 247 Ca -0.33 0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3dak h LEU 247 Cb 1.25 0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.21 3dak h LEU 247 CO 0.51 -0.29 0.00 -0.62 0.09 0.00 0.00 178.44 178.13 3dak n GLU 248 N -5.16 0.14 -0.06 1.13 4.71 -1.26 -4.26 120.64 115.87 3dak n GLU 248 Ca 0.35 0.26 -0.10 0.00 -0.01 0.00 0.00 57.16 57.66 3dak n GLU 248 Cb 1.13 -1.71 -0.03 0.00 -1.01 0.00 0.00 31.44 29.82 3dak n GLU 248 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 3dak h THR 249 N 0.00 1.11 -0.48 2.62 2.02 -1.63 -3.22 112.91 113.34 3dak h THR 249 Ca 0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3dak h THR 249 Cb 0.46 0.88 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3dak h THR 249 CO 0.00 0.11 0.00 0.61 0.37 0.00 0.00 175.52 176.61 3dak n GLY 250 N -0.96 3.18 3.31 2.16 0.00 -1.23 -4.93 105.19 106.72 3dak n GLY 250 Ca -0.03 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.81 3dak n GLY 250 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3dak s VAL 251 N -2.19 2.62 0.00 1.61 -7.23 -1.22 -5.01 120.40 108.98 3dak s VAL 251 Ca 0.45 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 3dak s VAL 251 Cb 0.32 -2.06 0.00 0.00 0.56 0.00 0.00 36.38 35.20 3dak s VAL 251 CO 0.17 0.54 0.15 0.00 -0.31 0.00 0.00 175.10 175.65 3dak n GLN 252 N 3.48 0.00 -4.10 4.82 3.00 -1.26 -4.84 117.38 118.48 3dak n GLN 252 Ca -0.18 0.15 -0.16 0.00 -0.01 0.00 0.00 57.00 56.80 3dak n GLN 252 Cb 0.53 -0.26 -0.15 0.00 0.00 0.00 0.00 30.24 30.36 3dak n GLN 252 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3dak s ASP 253 N -1.63 0.56 0.18 1.08 2.15 -1.26 -5.06 116.67 112.69 3dak s ASP 253 Ca 0.00 -0.08 0.22 0.00 0.43 0.00 0.00 52.55 53.12 3dak s ASP 253 Cb 0.00 -0.13 0.89 0.00 -0.30 0.00 0.00 42.92 43.38 3dak s ASP 253 CO 0.00 0.02 1.68 0.29 -0.17 0.00 0.00 175.17 176.99 3dak n LYS 254 N 3.28 0.15 0.06 4.34 5.02 -1.26 -1.61 118.16 128.14 3dak n LYS 254 Ca -0.17 0.33 0.10 0.00 -2.02 0.00 0.00 58.31 56.56 3dak n LYS 254 Cb 0.56 -1.76 0.43 0.00 -0.02 0.00 0.00 35.03 34.24 3dak n LYS 254 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3dak n GLU 255 N -2.04 0.10 0.00 1.97 0.00 -1.26 -2.19 120.64 117.23 3dak n GLU 255 Ca 0.03 0.28 0.08 0.00 0.00 0.00 0.00 57.16 57.55 3dak n GLU 255 Cb 0.25 -1.67 0.47 0.00 0.00 0.00 0.00 31.44 30.49 3dak n GLU 255 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 3dak n MET 256 N -1.86 0.92 -0.63 5.31 2.81 -0.63 -3.14 117.12 119.90 3dak n MET 256 Ca 0.04 0.00 0.05 0.00 -1.81 0.00 0.00 57.70 55.98 3dak n MET 256 Cb 0.24 -1.27 0.11 0.00 -0.71 0.00 0.00 33.22 31.59 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 -0.77 1.67 0.21 4.03 4.32 -0.93 -2.52 117.00 123.01 3dak n LEU 257 Ca 0.12 -2.66 0.05 0.00 -0.02 0.00 0.00 56.01 53.50 3dak n LEU 257 Cb 0.05 -0.28 0.45 0.00 -1.62 0.00 0.00 43.42 42.03 3dak n LEU 257 CO 0.09 0.78 0.79 0.50 -1.22 0.00 0.00 177.39 178.33 3dak h LYS 258 N 0.52 0.00 0.00 3.23 3.64 -1.46 -2.89 116.57 119.60 3dak h LYS 258 Ca -0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3dak h LYS 258 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3dak h LYS 258 CO 0.02 0.30 0.00 0.87 -2.27 0.00 0.00 179.45 178.37 3dak h LYS 259 N 0.00 0.00 -5.03 1.90 1.57 -1.56 -3.45 116.57 109.99 3dak h LYS 259 Ca -0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 3dak h LYS 259 Cb 0.57 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.59 3dak h LYS 259 CO 0.04 0.00 -0.75 0.71 -0.57 0.00 0.00 179.45 178.88 3dak s TYR 260 N -3.39 2.91 0.00 -1.35 1.51 -1.09 -4.58 117.35 111.35 3dak s TYR 260 Ca 0.03 -1.04 0.00 0.00 -1.01 0.00 0.00 57.07 55.05 3dak s TYR 260 Cb 0.09 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 39.89 3dak s TYR 260 CO 0.39 -0.57 0.00 0.41 -1.11 0.00 0.00 175.55 174.67 3dak n GLY 261 N 4.66 1.18 0.15 0.71 0.00 -1.26 -4.96 105.19 105.67 3dak n GLY 261 Ca -0.19 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 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 0.41 -0.23 1.61 1.57 -1.99 -3.04 116.57 114.90 3dak h LYS 262 Ca 0.00 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.48 3dak h LYS 262 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3dak h LYS 262 CO 0.00 0.77 -0.23 0.66 -0.57 0.00 0.00 179.45 180.08 3dak h SER 263 N 0.06 0.42 -0.09 0.86 4.64 -1.98 -0.22 113.55 117.24 3dak h SER 263 Ca 0.03 -0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3dak h SER 263 Cb 0.68 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3dak h SER 263 CO 0.04 0.65 0.05 0.15 -0.87 0.00 0.00 176.83 176.85 3dak h PHE 264 N 0.38 0.12 -0.88 4.77 3.57 -1.95 -0.29 116.94 122.65 3dak h PHE 264 Ca 0.06 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 3dak h PHE 264 Cb 0.61 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.27 3dak h PHE 264 CO 0.02 0.14 0.52 0.00 -2.23 0.00 0.00 178.31 176.76 3dak h ARG 265 N 0.06 1.21 -0.33 1.11 3.08 -1.39 -1.46 114.38 116.66 3dak h ARG 265 Ca 0.03 -0.11 -0.09 0.00 0.07 0.00 0.00 59.98 59.87 3dak h ARG 265 Cb 0.06 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 3dak h ARG 265 CO -0.01 0.85 -0.16 -0.22 -1.07 0.00 0.00 179.97 179.37 3dak h LYS 266 N 1.22 0.69 -0.01 0.04 1.63 -0.85 -1.43 116.57 117.86 3dak h LYS 266 Ca 0.32 -0.30 0.03 0.00 -0.85 0.00 0.00 60.65 59.85 3dak h LYS 266 Cb -0.04 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.53 3dak h LYS 266 CO -0.06 0.90 -0.28 1.98 -3.45 0.00 0.00 179.45 178.54 3dak h MET 267 N 0.46 -0.40 -0.71 1.90 4.05 -0.75 -1.79 114.93 117.69 3dak h MET 267 Ca 0.07 0.03 0.05 0.00 -0.28 0.00 0.00 59.70 59.57 3dak h MET 267 Cb 0.69 0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.53 3dak h MET 267 CO 0.05 -0.27 0.42 0.82 0.23 0.00 0.00 176.91 178.16 3dak h ILE 268 N -0.42 1.02 0.00 1.77 2.04 -1.22 -2.40 117.51 118.30 3dak h ILE 268 Ca 0.06 -0.27 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3dak h ILE 268 Cb 0.51 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 3dak h ILE 268 CO -0.24 0.14 -0.29 0.77 0.00 0.00 0.00 178.15 178.53 3dak h SER 269 N 0.78 0.00 -0.46 1.72 4.64 -0.94 -1.44 113.55 117.85 3dak h SER 269 Ca 0.31 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.57 3dak h SER 269 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3dak h SER 269 CO -0.16 0.29 0.07 -0.07 -0.87 0.00 0.00 176.83 176.09 3dak h LEU 270 N 0.00 0.74 -0.44 5.97 4.07 -0.82 -3.13 115.31 121.70 3dak h LEU 270 Ca -0.00 -0.27 -0.08 0.00 0.08 0.00 0.00 57.88 57.61 3dak h LEU 270 Cb 0.54 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 3dak h LEU 270 CO 0.04 0.82 -0.06 0.00 -1.08 0.00 0.00 178.44 178.16 3dak n LEU 272 N -4.33 8.15 -4.58 0.00 4.77 -0.57 -3.90 117.00 116.53 3dak n LEU 272 Ca -0.00 -4.81 -0.34 0.00 -0.03 0.00 0.00 56.01 50.83 3dak n LEU 272 Cb 0.34 -1.39 -0.11 0.00 -2.33 0.00 0.00 43.42 39.93 3dak n LEU 272 CO 0.42 2.06 -0.32 -1.10 -1.33 0.00 0.00 177.39 177.13 3dak s GLN 273 N -0.63 3.53 0.33 3.23 -1.52 -1.26 -4.70 119.66 118.65 3dak s GLN 273 Ca 0.56 -0.45 0.01 0.00 -1.95 0.00 0.00 55.36 53.54 3dak s GLN 273 Cb 0.18 -2.94 0.58 0.00 -0.22 0.00 0.00 33.01 30.61 3dak s GLN 273 CO -0.09 0.39 1.99 0.87 -0.25 0.00 0.00 175.29 178.20 3dak h LYS 274 N 6.23 0.89 -6.05 2.91 1.79 -1.95 -3.39 116.57 116.99 3dak h LYS 274 Ca -0.38 -0.06 -0.59 0.00 -2.18 0.00 0.00 60.65 57.43 3dak h LYS 274 Cb 1.18 -0.20 -0.09 0.00 -1.58 0.00 0.00 32.23 31.55 3dak h LYS 274 CO 0.62 0.60 0.60 0.34 -1.08 0.00 0.00 179.45 180.53 3dak s ASP 275 N -6.44 6.72 0.38 0.86 -1.08 -1.26 -4.95 116.67 110.90 3dak s ASP 275 Ca -0.10 0.68 0.09 0.00 -0.52 0.00 0.00 52.55 52.70 3dak s ASP 275 Cb 0.18 -2.47 0.85 0.00 -1.46 0.00 0.00 42.92 40.02 3dak s ASP 275 CO 0.77 -0.81 1.94 1.55 0.52 0.00 0.00 175.17 179.14 3dak h PRO 276 N 8.33 0.62 -0.14 4.34 0.13 -1.95 -1.93 132.00 141.39 3dak h PRO 276 Ca -0.23 -0.04 0.04 0.00 -0.87 0.00 0.00 66.00 64.90 3dak h PRO 276 Cb 1.08 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 3dak h PRO 276 CO 0.97 0.41 0.20 0.93 -0.23 0.00 0.00 178.00 180.28 3dak h GLU 277 N 0.63 0.00 0.00 0.86 4.39 -1.95 -0.93 114.58 117.58 3dak h GLU 277 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 3dak h GLU 277 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3dak h GLU 277 CO -0.12 0.00 -0.64 1.63 -1.16 0.00 0.00 179.01 178.71 3dak n LYS 278 N -3.59 0.15 -2.33 2.33 5.02 -0.73 -4.85 118.16 114.17 3dak n LYS 278 Ca 0.01 0.03 -0.39 0.00 -2.02 0.00 0.00 58.31 55.94 3dak n LYS 278 Cb 0.31 -1.58 -0.03 0.00 -0.02 0.00 0.00 35.03 33.71 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 -3.09 4.25 0.82 1.97 0.52 -0.36 -4.97 118.95 118.09 3dak s ARG 279 Ca 0.08 1.85 -0.11 0.00 -0.52 0.00 0.00 55.73 57.03 3dak s ARG 279 Cb 0.15 -2.85 0.08 0.00 0.52 0.00 0.00 34.95 32.86 3dak s ARG 279 CO 0.73 -0.15 1.09 -1.25 0.02 0.00 0.00 175.30 175.73 3dak s PRO 280 N -2.03 1.89 0.79 3.54 0.04 -1.26 -5.05 135.00 132.92 3dak s PRO 280 Ca 0.53 0.97 -0.12 0.00 0.04 0.00 0.00 61.00 62.42 3dak s PRO 280 Cb -0.31 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.42 3dak s PRO 280 CO 0.40 -1.84 1.12 0.95 0.04 0.00 0.00 177.00 177.67 3dak s THR 281 N -2.95 2.88 0.34 1.26 -4.23 -1.26 -4.89 115.64 106.78 3dak s THR 281 Ca 0.62 0.28 0.02 0.00 -1.18 0.00 0.00 61.69 61.44 3dak s THR 281 Cb -0.17 -3.14 0.23 0.00 1.34 0.00 0.00 72.50 70.75 3dak s THR 281 CO 0.56 -0.37 1.96 0.00 -0.54 0.00 0.00 174.62 176.23 3dak h ALA 282 N -1.02 1.48 -0.43 3.99 0.00 -1.94 -2.06 119.26 119.28 3dak h ALA 282 Ca -0.47 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.36 3dak h ALA 282 Cb 1.28 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3dak h ALA 282 CO 0.62 0.43 0.28 0.00 0.00 0.00 0.00 179.25 180.58 3dak h ALA 283 N 1.55 0.55 -0.33 0.00 0.00 -1.94 -0.65 119.26 118.45 3dak h ALA 283 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3dak h ALA 283 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3dak h ALA 283 CO -0.03 -0.02 0.17 0.93 0.00 0.00 0.00 179.25 180.30 3dak h GLU 284 N 0.56 0.47 -0.77 0.00 5.08 -1.90 -2.93 114.58 115.08 3dak h GLU 284 Ca 0.16 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.53 3dak h GLU 284 Cb -0.04 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 3dak h GLU 284 CO -0.05 0.41 0.50 -0.07 -1.00 0.00 0.00 179.01 178.81 3dak h LEU 285 N 0.40 0.71 -2.44 1.33 3.38 -0.99 -1.91 115.31 115.79 3dak h LEU 285 Ca 0.11 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3dak h LEU 285 Cb 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3dak h LEU 285 CO -0.02 0.45 -0.03 -0.07 0.09 0.00 0.00 178.44 178.87 3dak h LEU 286 N 0.81 0.00 -0.87 1.67 3.38 -0.93 0.11 115.31 119.47 3dak h LEU 286 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3dak h LEU 286 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3dak h LEU 286 CO -0.12 0.03 -0.04 0.54 0.09 0.00 0.00 178.44 178.94 3dak n ARG 287 N -3.60 1.51 -2.22 1.13 1.74 -0.73 -4.84 116.66 109.66 3dak n ARG 287 Ca -0.03 -0.87 -0.41 0.00 -0.77 0.00 0.00 57.85 55.78 3dak n ARG 287 Cb 0.12 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.09 3.20 0.33 -1.55 2.46 0.37 -4.92 115.29 113.10 3dak s HIS 288 Ca 0.36 1.49 0.09 0.00 0.47 0.00 0.00 55.06 57.47 3dak s HIS 288 Cb 0.21 -3.57 0.97 0.00 -0.13 0.00 0.00 32.58 30.06 3dak s HIS 288 CO 0.37 -1.50 1.60 -0.22 -2.47 0.00 0.00 174.74 172.52 3dak h LYS 289 N 3.58 0.07 -0.85 2.88 3.64 -1.91 -0.63 116.57 123.35 3dak h LYS 289 Ca -0.48 -0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.05 3dak h LYS 289 Cb 1.22 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.93 3dak h LYS 289 CO 0.66 0.05 0.43 0.35 -2.27 0.00 0.00 179.45 178.67 3dak h PHE 290 N 0.08 0.75 0.00 1.91 3.57 -1.91 -1.59 116.94 119.74 3dak h PHE 290 Ca 0.69 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.22 3dak h PHE 290 Cb 1.58 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 40.12 3dak h PHE 290 CO -0.25 0.16 0.00 1.19 -2.23 0.00 0.00 178.31 177.18 3dak n PHE 291 N -4.89 0.00 0.73 0.41 3.01 -0.24 -1.85 117.46 114.63 3dak n PHE 291 Ca 0.17 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.74 3dak n PHE 291 Cb 0.45 -0.15 0.45 0.00 -0.01 0.00 0.00 39.48 40.23 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 -1.15 0.01 0.03 -1.08 6.02 -0.60 -2.45 117.38 118.16 3dak n GLN 292 Ca 0.14 0.14 0.14 0.00 -0.01 0.00 0.00 57.00 57.40 3dak n GLN 292 Cb 0.13 -1.50 0.52 0.00 1.02 0.00 0.00 30.24 30.41 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 -1.50 0.07 -1.80 -1.09 5.02 -0.77 -4.87 118.16 113.22 3dak n LYS 293 Ca 0.05 0.05 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 3dak n LYS 293 Cb 0.24 -1.57 -0.03 0.00 -0.02 0.00 0.00 35.03 33.65 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 -3.03 3.66 -2.00 7.82 0.00 -1.03 -4.51 121.76 122.68 3dak s ALA 294 Ca 0.13 1.27 0.14 0.00 0.00 0.00 0.00 51.96 53.49 3dak s ALA 294 Cb 0.17 -3.77 0.84 0.00 0.00 0.00 0.00 23.12 20.36 3dak s ALA 294 CO 0.57 -1.35 1.26 1.63 0.00 0.00 0.00 175.76 177.87