#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n05 s LEU 1 N 0.00 3.23 0.01 1.04 1.43 0.12 -4.65 118.68 119.86 3n05 s LEU 1 Ca 0.00 0.44 0.07 0.00 -1.03 0.00 0.00 54.13 53.61 3n05 s LEU 1 Cb 0.00 -3.25 -0.02 0.00 0.03 0.00 0.00 46.19 42.95 3n05 s LEU 1 CO 0.00 -1.12 -0.21 0.00 0.23 0.00 0.00 176.35 175.24 3n05 s GLN 2 N -4.92 1.60 0.02 1.70 -2.07 -1.26 -0.86 119.66 113.86 3n05 s GLN 2 Ca 0.55 -0.83 -0.12 0.00 -1.82 0.00 0.00 55.36 53.14 3n05 s GLN 2 Cb -0.10 -1.61 0.01 0.00 -1.09 0.00 0.00 33.01 30.22 3n05 s GLN 2 CO 0.42 0.43 0.24 -0.48 -1.32 0.00 0.00 175.29 174.59 3n05 s LEU 3 N -0.77 1.15 -0.20 2.60 2.34 -1.26 -4.75 118.68 117.80 3n05 s LEU 3 Ca 0.08 -0.16 -0.18 0.00 0.06 0.00 0.00 54.13 53.93 3n05 s LEU 3 Cb -0.08 1.08 -0.03 0.00 -0.56 0.00 0.00 46.19 46.59 3n05 s LEU 3 CO 0.00 -0.50 0.50 -0.60 -1.06 0.00 0.00 176.35 174.70 3n05 s ARG 4 N -1.93 4.19 -0.20 1.48 3.52 -1.26 -3.43 118.95 121.32 3n05 s ARG 4 Ca -0.10 0.39 -0.03 0.00 -0.13 0.00 0.00 55.73 55.86 3n05 s ARG 4 Cb -0.04 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.79 3n05 s ARG 4 CO -0.00 -0.12 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.12 3n05 s LEU 5 N 1.56 2.78 -0.40 -0.88 2.96 -0.49 -0.48 118.68 123.73 3n05 s LEU 5 Ca 0.23 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.63 3n05 s LEU 5 Cb -0.15 -1.69 0.05 0.00 0.50 0.00 0.00 46.19 44.90 3n05 s LEU 5 CO 0.09 0.01 0.24 0.00 -1.32 0.00 0.00 176.35 175.38 3n05 s ALA 6 N 1.26 3.30 -0.23 5.97 0.00 0.39 -2.41 121.76 130.05 3n05 s ALA 6 Ca 0.03 -1.89 -0.14 0.00 0.00 0.00 0.00 51.96 49.96 3n05 s ALA 6 Cb -0.14 -2.65 -0.04 0.00 0.00 0.00 0.00 23.12 20.29 3n05 s ALA 6 CO -0.03 -1.51 0.31 -0.51 0.00 0.00 0.00 175.76 174.02 3n05 s LEU 7 N 1.52 4.11 -0.49 0.00 1.43 0.66 -1.07 118.68 124.84 3n05 s LEU 7 Ca 0.02 0.31 -0.08 0.00 -1.03 0.00 0.00 54.13 53.36 3n05 s LEU 7 Cb -0.21 -2.35 0.13 0.00 0.03 0.00 0.00 46.19 43.79 3n05 s LEU 7 CO 0.05 -0.06 0.35 0.20 0.23 0.00 0.00 176.35 177.13 3n05 s ASN 8 N 1.23 5.64 -1.20 2.29 0.01 -0.73 -0.92 114.94 121.26 3n05 s ASN 8 Ca 0.14 -2.06 -0.19 0.00 -0.71 0.00 0.00 52.86 50.04 3n05 s ASN 8 Cb -0.15 -1.98 0.08 0.00 0.41 0.00 0.00 41.25 39.62 3n05 s ASN 8 CO 0.08 -0.63 1.60 -1.58 -1.51 0.00 0.00 177.10 175.05 3n05 s GLN 9 N 1.13 3.88 0.46 -0.60 0.74 -0.46 -4.22 119.66 120.60 3n05 s GLN 9 Ca 0.08 -1.84 0.07 0.00 0.05 0.00 0.00 55.36 53.72 3n05 s GLN 9 Cb -0.24 -5.41 0.00 0.00 1.10 0.00 0.00 33.01 28.46 3n05 s GLN 9 CO -0.02 -2.16 0.41 0.96 -0.55 0.00 0.00 175.29 173.92 3n05 s ILE 10 N 4.03 2.31 -0.24 -2.34 -4.36 -1.26 -1.81 121.20 117.53 3n05 s ILE 10 Ca 0.50 -1.38 -0.00 0.00 -0.26 0.00 0.00 60.65 59.50 3n05 s ILE 10 Cb 0.02 -2.69 0.03 0.00 1.25 0.00 0.00 42.46 41.07 3n05 s ILE 10 CO 0.02 0.00 -0.10 -0.62 0.24 0.00 0.00 174.94 174.48 3n05 s ASP 11 N -4.20 4.15 0.38 4.36 3.68 -1.25 -2.37 116.67 121.43 3n05 s ASP 11 Ca 0.45 -0.98 -0.01 0.00 2.13 0.00 0.00 52.55 54.14 3n05 s ASP 11 Cb -0.03 -1.60 -0.03 0.00 -1.45 0.00 0.00 42.92 39.81 3n05 s ASP 11 CO 0.27 -0.12 0.62 -0.44 0.13 0.00 0.00 175.17 175.62 3n05 s SER 12 N 1.26 6.29 -0.11 -0.34 0.01 -1.26 -5.06 113.70 114.49 3n05 s SER 12 Ca -0.01 0.60 0.01 0.00 1.31 0.00 0.00 55.95 57.86 3n05 s SER 12 Cb -0.17 -2.10 -0.01 0.00 0.21 0.00 0.00 66.02 63.95 3n05 s SER 12 CO -0.06 -0.37 -0.15 -0.89 0.41 0.00 0.00 173.24 172.17 3n05 s THR 13 N -2.43 2.87 -0.05 1.44 2.01 -1.26 -4.85 115.64 113.37 3n05 s THR 13 Ca 0.42 -0.74 -0.30 0.00 0.31 0.00 0.00 61.69 61.39 3n05 s THR 13 Cb -0.10 -2.17 -0.06 0.00 0.01 0.00 0.00 72.50 70.18 3n05 s THR 13 CO 0.38 0.54 1.81 -0.69 -0.69 0.00 0.00 174.62 175.97 3n05 s VAL 14 N 0.14 3.35 0.00 3.82 1.01 -1.26 -2.20 120.40 125.26 3n05 s VAL 14 Ca -0.08 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.31 3n05 s VAL 14 Cb -0.15 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.94 3n05 s VAL 14 CO 0.05 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.70 3n05 n GLY 15 N 4.47 3.32 2.54 4.51 0.00 -0.70 -4.94 105.19 114.38 3n05 n GLY 15 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3n05 n GLY 15 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3n05 n ASP 16 N 0.01 6.71 -0.08 1.61 2.03 -0.93 -4.76 116.55 121.15 3n05 n ASP 16 Ca 0.00 -2.83 -0.10 0.00 0.52 0.00 0.00 54.79 52.38 3n05 n ASP 16 Cb 0.00 -1.54 -0.03 0.00 -0.72 0.00 0.00 41.12 38.83 3n05 n ASP 16 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 3n05 h ILE 17 N 3.32 1.15 -0.36 5.18 2.04 -1.82 0.16 117.51 127.18 3n05 h ILE 17 Ca 0.69 -0.43 0.03 0.00 1.00 0.00 0.00 64.86 66.15 3n05 h ILE 17 Cb 0.44 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.44 3n05 h ILE 17 CO 1.74 0.15 0.17 0.00 0.00 0.00 0.00 178.15 180.21 3n05 h ALA 18 N 0.98 0.44 -0.41 1.87 0.00 -1.87 -0.83 119.26 119.43 3n05 h ALA 18 Ca 0.09 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3n05 h ALA 18 Cb 0.13 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3n05 h ALA 18 CO -0.01 -0.21 -0.07 0.78 0.00 0.00 0.00 179.25 179.74 3n05 h GLY 19 N 0.35 0.75 1.00 0.00 0.00 -1.89 0.56 103.07 103.84 3n05 h GLY 19 Ca 0.16 -0.53 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 3n05 h GLY 19 CO -0.12 0.49 -0.02 3.43 0.00 0.00 0.00 176.54 180.32 3n05 h ASN 20 N 0.64 0.83 -0.00 0.19 2.35 -0.45 -1.36 115.58 117.78 3n05 h ASN 20 Ca 0.12 -0.32 -0.08 0.00 -0.55 0.00 0.00 56.30 55.48 3n05 h ASN 20 Cb 0.50 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.63 3n05 h ASN 20 CO 0.03 0.94 -0.21 0.00 -1.65 0.00 0.00 177.43 176.54 3n05 h ALA 21 N 0.91 1.25 -0.53 -0.83 0.00 -0.87 -0.40 119.26 118.80 3n05 h ALA 21 Ca 0.13 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3n05 h ALA 21 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3n05 h ALA 21 CO 0.03 0.49 0.13 1.49 0.00 0.00 0.00 179.25 181.39 3n05 h GLU 22 N 0.34 0.84 -0.02 0.00 4.57 -0.72 -2.30 114.58 117.30 3n05 h GLU 22 Ca 0.06 -0.20 -0.16 0.00 -1.18 0.00 0.00 59.36 57.87 3n05 h GLU 22 Cb 0.56 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 3n05 h GLU 22 CO 0.04 0.80 -0.74 0.00 -1.18 0.00 0.00 179.01 177.93 3n05 h ALA 23 N 1.01 0.73 -0.17 2.92 0.00 -0.88 -2.57 119.26 120.31 3n05 h ALA 23 Ca 0.17 -0.65 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 3n05 h ALA 23 Cb 0.34 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3n05 h ALA 23 CO 0.00 0.86 -0.51 0.82 0.00 0.00 0.00 179.25 180.43 3n05 h ILE 24 N 0.08 1.33 -0.05 0.00 2.04 -1.03 -1.98 117.51 117.89 3n05 h ILE 24 Ca -0.02 -1.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.09 3n05 h ILE 24 Cb 1.30 1.75 -0.00 0.00 -0.74 0.00 0.00 36.82 39.13 3n05 h ILE 24 CO 0.11 0.53 0.01 0.25 0.00 0.00 0.00 178.15 179.05 3n05 h LEU 25 N 0.36 0.08 -0.99 1.44 5.85 -1.35 -1.37 115.31 119.32 3n05 h LEU 25 Ca 0.01 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 3n05 h LEU 25 Cb 1.01 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3n05 h LEU 25 CO 0.09 0.32 0.50 -0.09 -0.34 0.00 0.00 178.44 178.92 3n05 h ARG 26 N -0.17 1.20 0.00 1.25 2.43 -1.43 -1.64 114.38 116.03 3n05 h ARG 26 Ca 0.01 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 3n05 h ARG 26 Cb 0.28 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3n05 h ARG 26 CO 0.00 0.86 -0.45 -1.49 -1.51 0.00 0.00 179.97 177.38 3n05 h TRP 27 N 1.21 0.00 -0.21 2.20 4.06 -1.33 -2.71 115.95 119.18 3n05 h TRP 27 Ca 0.31 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 61.05 3n05 h TRP 27 Cb -0.01 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.16 3n05 h TRP 27 CO 0.01 0.45 -0.69 1.15 -3.56 0.00 0.00 178.44 175.80 3n05 h THR 28 N 0.00 1.27 -0.19 1.49 2.02 -0.78 -1.53 112.91 115.20 3n05 h THR 28 Ca -0.00 -1.88 0.05 0.00 0.77 0.00 0.00 66.41 65.35 3n05 h THR 28 Cb 0.98 1.84 -0.06 0.00 -1.74 0.00 0.00 68.15 69.18 3n05 h THR 28 CO 0.06 0.60 -0.17 0.03 0.37 0.00 0.00 175.52 176.41 3n05 h ARG 29 N 0.60 -0.18 0.00 6.66 2.47 -1.24 0.11 114.38 122.79 3n05 h ARG 29 Ca -0.03 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.69 3n05 h ARG 29 Cb 1.32 0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 29.67 3n05 h ARG 29 CO 0.15 -0.12 -0.09 1.25 0.56 0.00 0.00 179.97 181.72 3n05 h HIS 30 N -0.19 0.00 0.19 3.04 2.76 -1.46 -1.10 115.15 118.40 3n05 h HIS 30 Ca 0.12 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 58.03 3n05 h HIS 30 Cb 0.36 0.00 0.03 0.00 1.55 0.00 0.00 27.41 29.34 3n05 h HIS 30 CO -0.31 0.09 -1.16 0.77 -1.30 0.00 0.00 177.93 176.02 3n05 h SER 31 N 0.00 0.63 0.24 3.26 0.02 -0.52 -3.26 113.55 113.91 3n05 h SER 31 Ca -0.00 -0.93 -0.16 0.00 -0.84 0.00 0.00 61.79 59.85 3n05 h SER 31 Cb 0.45 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3n05 h SER 31 CO 0.01 1.56 -0.62 0.00 -1.14 0.00 0.00 176.83 176.63 3n05 h ALA 32 N 0.10 0.74 0.00 3.77 0.00 -0.56 -2.43 119.26 120.88 3n05 h ALA 32 Ca -0.21 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.13 3n05 h ALA 32 Cb 1.89 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.60 3n05 h ALA 32 CO 0.20 0.73 -0.09 0.93 0.00 0.00 0.00 179.25 181.01 3n05 h GLU 33 N 0.27 0.00 -0.70 0.00 5.08 -1.36 -1.16 114.58 116.71 3n05 h GLU 33 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3n05 h GLU 33 Cb 1.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3n05 h GLU 33 CO 0.11 0.09 0.00 1.04 -1.00 0.00 0.00 179.01 179.25 3n05 n GLN 34 N -3.46 3.76 -3.27 2.33 6.02 -0.92 -4.96 117.38 116.87 3n05 n GLN 34 Ca -0.01 -2.25 -0.16 0.00 -0.01 0.00 0.00 57.00 54.57 3n05 n GLN 34 Cb 0.24 -2.04 0.08 0.00 1.02 0.00 0.00 30.24 29.54 3n05 n GLN 34 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3n05 n GLY 35 N 0.47 -0.27 3.87 1.08 0.00 -0.44 -5.01 105.19 104.90 3n05 n GLY 35 Ca 0.20 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 3n05 n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n05 s ALA 36 N -3.30 3.37 -0.04 4.61 0.00 -1.16 -4.81 121.76 120.43 3n05 s ALA 36 Ca 0.09 -0.21 0.13 0.00 0.00 0.00 0.00 51.96 51.98 3n05 s ALA 36 Cb -0.04 -2.67 -0.20 0.00 0.00 0.00 0.00 23.12 20.20 3n05 s ALA 36 CO 0.63 0.05 0.25 0.72 0.00 0.00 0.00 175.76 177.41 3n05 n HIS 37 N -1.17 0.00 -3.75 0.00 8.25 0.37 -4.90 115.22 114.02 3n05 n HIS 37 Ca 0.02 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 3n05 n HIS 37 Cb 0.54 -0.37 -0.14 0.00 1.12 0.00 0.00 29.99 31.13 3n05 n HIS 37 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3n05 s LEU 38 N -4.14 0.78 -0.19 2.41 2.96 -0.95 -4.31 118.68 115.25 3n05 s LEU 38 Ca -0.05 0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 54.15 3n05 s LEU 38 Cb 0.08 0.36 0.01 0.00 0.50 0.00 0.00 46.19 47.14 3n05 s LEU 38 CO 0.56 -0.14 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.61 3n05 s VAL 39 N 1.09 2.47 0.09 1.68 1.01 -0.93 -0.46 120.40 125.37 3n05 s VAL 39 Ca -0.08 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.17 3n05 s VAL 39 Cb -0.11 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3n05 s VAL 39 CO -0.05 0.50 -0.12 0.00 0.00 0.00 0.00 175.10 175.43 3n05 s ALA 40 N 1.31 2.88 0.32 5.51 0.00 -0.23 0.40 121.76 131.95 3n05 s ALA 40 Ca 0.04 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.82 3n05 s ALA 40 Cb -0.14 -0.85 -0.06 0.00 0.00 0.00 0.00 23.12 22.07 3n05 s ALA 40 CO -0.09 0.63 -0.00 -0.06 0.00 0.00 0.00 175.76 176.23 3n05 s PHE 41 N -1.16 2.08 1.02 0.00 0.40 0.21 -1.78 117.98 118.76 3n05 s PHE 41 Ca 0.20 -0.79 -0.16 0.00 -0.60 0.00 0.00 56.93 55.59 3n05 s PHE 41 Cb -0.11 -1.32 0.21 0.00 0.51 0.00 0.00 43.02 42.31 3n05 s PHE 41 CO 0.12 0.22 1.19 -2.14 0.70 0.00 0.00 175.22 175.31 3n05 s PRO 42 N -3.78 0.19 0.19 0.24 0.02 -1.26 -4.53 135.00 126.07 3n05 s PRO 42 Ca 0.33 -0.08 -0.32 0.00 0.02 0.00 0.00 61.00 60.96 3n05 s PRO 42 Cb 0.07 -1.76 -0.12 0.00 0.02 0.00 0.00 34.50 32.71 3n05 s PRO 42 CO 0.15 -2.77 1.74 -1.91 -0.33 0.00 0.00 177.00 173.87 3n05 n GLU 43 N -4.09 2.75 -2.91 5.54 2.13 -1.10 -2.90 120.64 120.07 3n05 n GLU 43 Ca 0.12 0.99 -0.21 0.00 0.66 0.00 0.00 57.16 58.72 3n05 n GLU 43 Cb 0.59 -2.85 0.03 0.00 0.27 0.00 0.00 31.44 29.49 3n05 n GLU 43 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 3n05 n MET 44 N 4.19 -4.31 -0.12 5.31 0.00 -1.26 -4.69 117.12 116.25 3n05 n MET 44 Ca 0.16 0.89 -0.09 0.00 0.00 0.00 0.00 57.70 58.66 3n05 n MET 44 Cb 0.35 -5.65 0.06 0.00 0.00 0.00 0.00 33.22 27.98 3n05 n MET 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3n05 h ALA 45 N 0.96 0.81 0.00 -5.12 0.00 -1.23 0.99 119.26 115.66 3n05 h ALA 45 Ca -0.51 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.02 3n05 h ALA 45 Cb 1.35 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3n05 h ALA 45 CO 0.55 0.65 -0.04 1.25 0.00 0.00 0.00 179.25 181.66 3n05 h LEU 46 N 0.76 0.00 0.00 0.00 5.85 -1.54 -3.29 115.31 117.09 3n05 h LEU 46 Ca 0.10 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3n05 h LEU 46 Cb 0.74 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 3n05 h LEU 46 CO 0.06 0.04 -1.26 0.41 -0.34 0.00 0.00 178.44 177.34 3n05 n THR 47 N -3.27 0.22 0.00 1.05 -1.04 -1.00 -4.30 114.28 105.94 3n05 n THR 47 Ca -0.01 -0.16 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 3n05 n THR 47 Cb 0.20 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.09 3n05 n THR 47 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3n05 n GLY 48 N 2.64 0.01 3.60 3.41 0.00 0.31 -1.72 105.19 113.44 3n05 n GLY 48 Ca -0.05 -1.81 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 3n05 n GLY 48 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3n05 s TYR 49 N -1.92 -0.82 0.01 1.61 5.04 -1.26 -4.49 117.35 115.53 3n05 s TYR 49 Ca 0.00 1.89 -0.19 0.00 -2.44 0.00 0.00 57.07 56.33 3n05 s TYR 49 Cb 0.00 0.34 -0.06 0.00 0.35 0.00 0.00 41.96 42.59 3n05 s TYR 49 CO 0.00 -0.40 0.56 -1.25 -1.34 0.00 0.00 175.55 173.12 3n05 s PRO 50 N 0.65 4.25 0.00 4.97 0.05 -1.26 -4.80 135.00 138.86 3n05 s PRO 50 Ca -0.02 0.69 0.28 0.00 0.05 0.00 0.00 61.00 61.99 3n05 s PRO 50 Cb -0.05 -3.31 1.03 0.00 0.05 0.00 0.00 34.50 32.22 3n05 s PRO 50 CO -0.04 0.47 1.77 1.33 0.05 0.00 0.00 177.00 180.58 3n05 n VAL 51 N 2.39 0.00 0.00 -0.36 0.24 -1.26 -4.98 118.33 114.36 3n05 n VAL 51 Ca -0.09 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 3n05 n VAL 51 Cb 0.51 -0.24 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 3n05 n VAL 51 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3n05 n GLU 52 N -1.44 0.00 0.00 7.34 1.02 -1.26 -1.97 120.64 124.33 3n05 n GLU 52 Ca 0.08 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.29 3n05 n GLU 52 Cb 0.33 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 32.12 3n05 n GLU 52 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3n05 n ASP 53 N 5.08 0.00 0.26 1.62 8.00 -1.26 -1.61 116.55 128.64 3n05 n ASP 53 Ca 0.00 0.39 0.10 0.00 0.71 0.00 0.00 54.79 55.99 3n05 n ASP 53 Cb 0.00 -0.45 0.68 0.00 -0.02 0.00 0.00 41.12 41.34 3n05 n ASP 53 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3n05 h LEU 54 N 0.00 0.00 -2.40 0.64 3.38 -1.81 -2.12 115.31 113.00 3n05 h LEU 54 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3n05 h LEU 54 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3n05 h LEU 54 CO 0.00 0.11 0.02 0.00 0.09 0.00 0.00 178.44 178.66 3n05 h ALA 55 N 1.89 1.60 -0.03 1.53 0.00 -1.47 -2.51 119.26 120.28 3n05 h ALA 55 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n05 h ALA 55 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3n05 h ALA 55 CO 0.01 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.51 3n05 n LEU 56 N -3.92 1.28 -4.55 0.00 4.77 -0.79 -4.73 117.00 109.05 3n05 n LEU 56 Ca -0.03 -0.44 -0.37 0.00 -0.03 0.00 0.00 56.01 55.15 3n05 n LEU 56 Cb 0.11 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.07 3n05 n LEU 56 CO 0.28 0.22 -0.23 -0.13 -1.33 0.00 0.00 177.39 176.20 3n05 s ARG 57 N -1.97 3.86 0.27 3.23 0.52 -0.94 -4.99 118.95 118.92 3n05 s ARG 57 Ca 0.38 -0.38 0.00 0.00 -0.52 0.00 0.00 55.73 55.22 3n05 s ARG 57 Cb 0.20 -3.43 0.58 0.00 0.52 0.00 0.00 34.95 32.83 3n05 s ARG 57 CO 0.33 -0.07 1.75 0.77 0.02 0.00 0.00 175.30 178.10 3n05 h SER 58 N 7.90 0.52 -0.08 0.23 0.02 -1.89 -0.51 113.55 119.75 3n05 h SER 58 Ca -0.37 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.70 3n05 h SER 58 Cb 1.18 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 3n05 h SER 58 CO 0.60 0.19 -0.03 0.77 -1.14 0.00 0.00 176.83 177.22 3n05 h SER 59 N 0.60 -0.11 -0.24 3.07 4.64 -1.94 0.84 113.55 120.40 3n05 h SER 59 Ca 0.49 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.82 3n05 h SER 59 Cb 0.74 0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 3n05 h SER 59 CO -0.39 -0.05 0.09 0.15 -0.87 0.00 0.00 176.83 175.76 3n05 h PHE 60 N -0.02 0.38 -0.80 4.77 3.04 -1.71 -1.01 116.94 121.59 3n05 h PHE 60 Ca 0.04 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 3n05 h PHE 60 Cb 0.09 -0.11 -0.04 0.00 2.56 0.00 0.00 35.95 38.45 3n05 h PHE 60 CO -0.14 0.42 0.42 0.28 -2.02 0.00 0.00 178.31 177.27 3n05 h VAL 61 N 0.24 1.24 -0.10 1.41 2.07 -1.00 -1.06 116.25 119.04 3n05 h VAL 61 Ca 0.08 -0.63 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 3n05 h VAL 61 Cb 0.21 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3n05 h VAL 61 CO -0.00 0.28 -0.41 -0.33 0.02 0.00 0.00 177.57 177.13 3n05 h GLU 62 N 1.12 0.23 -0.05 1.57 4.39 -0.78 -2.57 114.58 118.49 3n05 h GLU 62 Ca 0.28 -0.11 -0.10 0.00 0.34 0.00 0.00 59.36 59.77 3n05 h GLU 62 Cb 0.06 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 3n05 h GLU 62 CO -0.04 0.61 -0.42 0.00 -1.16 0.00 0.00 179.01 177.99 3n05 h ALA 63 N 1.39 1.20 0.02 3.43 0.00 -0.58 -1.97 119.26 122.74 3n05 h ALA 63 Ca 0.02 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3n05 h ALA 63 Cb 0.81 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3n05 h ALA 63 CO 0.06 0.57 -0.01 1.03 0.00 0.00 0.00 179.25 180.90 3n05 h SER 64 N 0.10 -0.02 -0.72 0.00 0.87 -1.02 -2.54 113.55 110.21 3n05 h SER 64 Ca 0.01 -0.40 -0.04 0.00 -1.23 0.00 0.00 61.79 60.12 3n05 h SER 64 Cb 0.79 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 3n05 h SER 64 CO 0.06 0.40 0.31 0.03 -0.53 0.00 0.00 176.83 177.09 3n05 h ARG 65 N -0.44 1.09 -0.31 2.24 3.08 -1.42 -2.00 114.38 116.62 3n05 h ARG 65 Ca -0.00 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 3n05 h ARG 65 Cb 0.42 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.28 3n05 h ARG 65 CO 0.00 0.87 -0.30 1.15 -1.07 0.00 0.00 179.97 180.63 3n05 h THR 66 N 1.07 1.30 -0.32 2.04 2.02 -1.43 -2.56 112.91 115.03 3n05 h THR 66 Ca 0.25 -1.46 -0.06 0.00 0.77 0.00 0.00 66.41 65.91 3n05 h THR 66 Cb 0.18 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 3n05 h THR 66 CO -0.02 0.47 -0.04 0.00 0.37 0.00 0.00 175.52 176.30 3n05 h ALA 67 N 0.72 1.32 -0.38 6.16 0.00 -1.30 0.84 119.26 126.63 3n05 h ALA 67 Ca 0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3n05 h ALA 67 Cb 0.87 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3n05 h ALA 67 CO 0.07 0.46 0.08 1.25 0.00 0.00 0.00 179.25 181.11 3n05 h LEU 68 N 0.49 0.58 -0.72 0.00 5.85 -1.28 0.21 115.31 120.45 3n05 h LEU 68 Ca 0.10 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 3n05 h LEU 68 Cb 0.39 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 3n05 h LEU 68 CO 0.02 0.67 -0.00 0.03 -0.34 0.00 0.00 178.44 178.82 3n05 h ARG 69 N 0.46 0.99 0.00 1.25 3.08 -1.14 -1.56 114.38 117.45 3n05 h ARG 69 Ca 0.12 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.80 3n05 h ARG 69 Cb 0.33 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 3n05 h ARG 69 CO 0.00 0.97 -0.33 0.93 -1.07 0.00 0.00 179.97 180.47 3n05 h GLU 70 N 0.90 0.00 0.00 0.04 5.08 -0.67 -2.19 114.58 117.75 3n05 h GLU 70 Ca 0.16 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3n05 h GLU 70 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3n05 h GLU 70 CO 0.03 0.33 -0.00 1.25 -1.00 0.00 0.00 179.01 179.61 3n05 h LEU 71 N 0.00 -0.01 -0.40 1.33 5.85 -0.32 -2.50 115.31 119.27 3n05 h LEU 71 Ca -0.00 -0.72 0.07 0.00 0.84 0.00 0.00 57.88 58.07 3n05 h LEU 71 Cb 0.74 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.71 3n05 h LEU 71 CO 0.04 0.72 0.00 0.00 -0.34 0.00 0.00 178.44 178.87 3n05 h ALA 72 N 0.24 0.36 0.00 1.25 0.00 -1.27 0.45 119.26 120.29 3n05 h ALA 72 Ca -0.00 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3n05 h ALA 72 Cb 0.73 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3n05 h ALA 72 CO 0.00 -0.39 -0.30 0.00 0.00 0.00 0.00 179.25 178.56 3n05 h ALA 73 N 1.35 1.35 -0.01 0.00 0.00 -1.47 -2.64 119.26 117.83 3n05 h ALA 73 Ca 0.19 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.63 3n05 h ALA 73 Cb 0.27 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3n05 h ALA 73 CO -0.32 0.37 -0.88 -0.09 0.00 0.00 0.00 179.25 178.33 3n05 h ARG 74 N 0.00 0.33 -0.32 0.00 9.65 -0.85 -3.00 114.38 120.19 3n05 h ARG 74 Ca -0.00 -0.34 0.07 0.00 -1.10 0.00 0.00 59.98 58.60 3n05 h ARG 74 Cb 0.58 0.09 -0.07 0.00 -1.39 0.00 0.00 29.97 29.18 3n05 h ARG 74 CO 0.04 1.03 -0.17 -0.07 2.80 0.00 0.00 179.97 183.60 3n05 h LEU 75 N 0.20 -0.56 -0.67 3.80 4.07 -0.56 -0.33 115.31 121.26 3n05 h LEU 75 Ca -0.06 0.13 -0.14 0.00 0.08 0.00 0.00 57.88 57.89 3n05 h LEU 75 Cb 1.50 0.30 -0.02 0.00 1.08 0.00 0.00 40.66 43.52 3n05 h LEU 75 CO 0.15 -0.20 -0.64 0.00 -1.08 0.00 0.00 178.44 176.67 3n05 h ALA 76 N 1.11 0.88 0.00 1.53 0.00 -1.63 0.13 119.26 121.28 3n05 h ALA 76 Ca 0.17 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3n05 h ALA 76 Cb 0.37 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3n05 h ALA 76 CO -0.40 0.77 -0.07 1.49 0.00 0.00 0.00 179.25 181.05 3n05 h GLU 77 N 0.08 0.00 -0.02 0.00 4.81 -1.32 -0.77 114.58 117.37 3n05 h GLU 77 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3n05 h GLU 77 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3n05 h GLU 77 CO 0.09 0.07 -0.17 -1.91 -0.73 0.00 0.00 179.01 176.36 3n05 n GLU 78 N -3.19 1.56 -1.86 1.92 4.07 -0.17 -4.98 120.64 117.99 3n05 n GLU 78 Ca 0.01 -1.14 0.00 0.00 -0.06 0.00 0.00 57.16 55.97 3n05 n GLU 78 Cb 0.35 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.25 3n05 n GLU 78 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3n05 n GLY 79 N 1.32 0.63 0.13 8.31 0.00 -0.29 -4.99 105.19 110.29 3n05 n GLY 79 Ca 0.14 -0.47 0.03 0.00 0.00 0.00 0.00 46.02 45.71 3n05 n GLY 79 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3n05 n PHE 80 N -1.31 0.00 0.20 1.61 3.01 0.35 -4.85 117.46 116.48 3n05 n PHE 80 Ca 0.00 -0.40 0.17 0.00 1.01 0.00 0.00 57.45 58.23 3n05 n PHE 80 Cb 0.43 -0.06 0.82 0.00 -0.01 0.00 0.00 39.48 40.66 3n05 n PHE 80 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 3n05 h GLY 81 N 0.00 0.00 2.00 1.37 0.00 -1.80 0.15 103.07 104.79 3n05 h GLY 81 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 3n05 h GLY 81 CO 0.00 0.00 -0.14 0.83 0.00 0.00 0.00 176.54 177.23 3n05 h GLU 82 N 0.00 0.00 -5.30 4.80 4.39 -1.95 0.18 114.58 116.70 3n05 h GLU 82 Ca 0.09 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.16 3n05 h GLU 82 Cb 0.50 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.02 3n05 h GLU 82 CO -0.00 0.14 -0.04 -1.17 -1.16 0.00 0.00 179.01 176.78 3n05 s LEU 83 N -6.37 4.16 -0.06 1.33 2.96 0.04 -4.95 118.68 115.78 3n05 s LEU 83 Ca 0.04 0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.95 3n05 s LEU 83 Cb 0.07 -2.62 -0.05 0.00 0.50 0.00 0.00 46.19 44.10 3n05 s LEU 83 CO 0.65 -0.36 1.49 -2.16 -1.32 0.00 0.00 176.35 174.65 3n05 s PRO 84 N 2.34 4.22 -0.18 0.98 0.04 -1.26 -4.63 135.00 136.51 3n05 s PRO 84 Ca 0.20 2.00 -0.00 0.00 0.04 0.00 0.00 61.00 63.24 3n05 s PRO 84 Cb -0.15 -3.79 0.01 0.00 0.04 0.00 0.00 34.50 30.60 3n05 s PRO 84 CO 0.11 -0.73 -0.15 0.08 0.04 0.00 0.00 177.00 176.35 3n05 s VAL 85 N 3.35 2.50 -0.25 -0.36 1.01 -0.56 -2.18 120.40 123.91 3n05 s VAL 85 Ca 0.66 -0.80 -0.15 0.00 0.00 0.00 0.00 61.98 61.69 3n05 s VAL 85 Cb -0.30 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3n05 s VAL 85 CO 0.25 0.51 0.38 -0.22 0.00 0.00 0.00 175.10 176.02 3n05 s LEU 86 N 1.23 4.07 -0.03 3.92 2.96 0.16 -0.47 118.68 130.52 3n05 s LEU 86 Ca 0.03 0.36 0.04 0.00 -0.22 0.00 0.00 54.13 54.34 3n05 s LEU 86 Cb -0.14 -2.46 -0.01 0.00 0.50 0.00 0.00 46.19 44.09 3n05 s LEU 86 CO -0.08 -0.16 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.94 3n05 s VAL 87 N 1.89 1.34 0.18 1.68 1.01 -0.49 -0.62 120.40 125.40 3n05 s VAL 87 Ca 0.16 -0.69 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 3n05 s VAL 87 Cb -0.15 -1.14 -0.08 0.00 0.00 0.00 0.00 36.38 35.01 3n05 s VAL 87 CO 0.09 0.39 0.71 -0.83 0.00 0.00 0.00 175.10 175.46 3n05 s GLY 88 N -0.11 2.70 0.25 4.51 0.00 -1.14 -1.04 107.32 112.49 3n05 s GLY 88 Ca 0.00 0.19 -0.22 0.00 0.00 0.00 0.00 44.72 44.69 3n05 s GLY 88 CO 0.01 0.59 0.82 -2.52 0.00 0.00 0.00 173.10 172.01 3n05 s TYR 89 N -1.36 -0.12 -0.17 1.90 -0.85 -0.43 -1.36 117.35 114.96 3n05 s TYR 89 Ca 0.39 -0.32 -0.11 0.00 -0.52 0.00 0.00 57.07 56.51 3n05 s TYR 89 Cb -0.19 0.71 -0.05 0.00 0.38 0.00 0.00 41.96 42.81 3n05 s TYR 89 CO 0.22 -1.14 0.20 -1.17 -1.52 0.00 0.00 175.55 172.14 3n05 s LEU 90 N -2.98 4.26 0.40 -3.49 2.96 -1.26 -1.96 118.68 116.61 3n05 s LEU 90 Ca 0.13 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.46 3n05 s LEU 90 Cb -0.04 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 3n05 s LEU 90 CO 0.06 0.20 0.08 -0.62 -1.32 0.00 0.00 176.35 174.74 3n05 s ASP 91 N 0.11 2.94 0.12 3.68 -1.08 -0.16 -4.21 116.67 118.07 3n05 s ASP 91 Ca 0.12 -1.55 0.05 0.00 -0.52 0.00 0.00 52.55 50.65 3n05 s ASP 91 Cb -0.12 0.26 -0.04 0.00 -1.46 0.00 0.00 42.92 41.56 3n05 s ASP 91 CO 0.01 -0.78 -0.11 0.00 0.52 0.00 0.00 175.17 174.81 3n05 s ARG 92 N -3.80 0.96 0.07 4.34 3.03 -1.26 0.00 118.95 122.29 3n05 s ARG 92 Ca 0.26 -1.25 -0.31 0.00 2.03 0.00 0.00 55.73 56.46 3n05 s ARG 92 Cb 0.05 -0.68 -0.06 0.00 -1.03 0.00 0.00 34.95 33.23 3n05 s ARG 92 CO 0.13 0.11 1.26 -1.54 -1.13 0.00 0.00 175.30 174.14 3n05 s SER 93 N -2.61 6.99 0.16 -2.89 1.04 -0.25 -4.83 113.70 111.32 3n05 s SER 93 Ca 0.09 2.11 -0.09 0.00 0.48 0.00 0.00 55.95 58.54 3n05 s SER 93 Cb -0.02 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.54 3n05 s SER 93 CO 0.01 -0.54 1.52 -0.33 0.98 0.00 0.00 173.24 174.89 3n05 h GLU 94 N 6.84 0.90 -6.08 4.02 4.39 -1.94 0.61 114.58 123.32 3n05 h GLU 94 Ca -0.41 -0.44 -0.61 0.00 0.34 0.00 0.00 59.36 58.23 3n05 h GLU 94 Cb 1.21 -0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.72 3n05 h GLU 94 CO 0.83 1.09 -0.72 -1.12 -1.16 0.00 0.00 179.01 177.93 3n05 s SER 95 N -6.81 3.65 0.05 1.42 0.01 -1.26 -4.70 113.70 106.06 3n05 s SER 95 Ca -0.11 -1.11 -0.31 0.00 1.31 0.00 0.00 55.95 55.74 3n05 s SER 95 Cb 0.12 -0.32 -0.06 0.00 0.21 0.00 0.00 66.02 65.97 3n05 s SER 95 CO 0.87 -0.07 1.23 0.00 0.41 0.00 0.00 173.24 175.67 3n05 s ALA 96 N -2.56 3.43 -0.41 1.44 0.00 -1.26 -3.94 121.76 118.47 3n05 s ALA 96 Ca 0.31 0.85 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 3n05 s ALA 96 Cb -0.02 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.74 3n05 s ALA 96 CO 0.16 -0.52 0.20 -0.65 0.00 0.00 0.00 175.76 174.95 3n05 s GLN 97 N 1.27 2.01 0.52 0.00 -0.21 -0.08 -4.91 119.66 118.27 3n05 s GLN 97 Ca 0.59 -1.81 0.31 0.00 0.02 0.00 0.00 55.36 54.48 3n05 s GLN 97 Cb -0.30 -3.57 1.24 0.00 1.00 0.00 0.00 33.01 31.38 3n05 s GLN 97 CO 0.28 -1.06 1.94 -1.35 -2.12 0.00 0.00 175.29 172.98 3n05 h PRO 98 N 8.05 0.00 -0.36 2.91 0.11 -1.92 0.20 132.00 140.98 3n05 h PRO 98 Ca -0.13 0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.04 3n05 h PRO 98 Cb 1.05 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.10 3n05 h PRO 98 CO 0.69 0.05 -0.00 -0.22 -0.21 0.00 0.00 178.00 178.31 3n05 h LYS 99 N 0.00 0.09 -0.02 1.05 3.64 -1.95 -2.41 116.57 116.98 3n05 h LYS 99 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3n05 h LYS 99 Cb 0.57 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3n05 h LYS 99 CO 0.01 0.06 -0.24 0.66 -2.27 0.00 0.00 179.45 177.67 3n05 n TYR 100 N -5.19 0.00 -2.86 1.91 4.01 -1.09 -4.97 117.16 108.97 3n05 n TYR 100 Ca 0.02 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.60 3n05 n TYR 100 Cb 0.19 -0.02 0.03 0.00 -0.31 0.00 0.00 39.34 39.23 3n05 n TYR 100 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3n05 n GLY 101 N 1.36 -0.13 3.71 2.72 0.00 -0.12 -5.01 105.19 107.73 3n05 n GLY 101 Ca 0.12 -0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 3n05 n GLY 101 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n05 s GLN 102 N -5.43 3.12 0.61 1.61 -1.52 -0.19 -4.94 119.66 112.93 3n05 s GLN 102 Ca 0.24 -0.36 -0.12 0.00 -1.95 0.00 0.00 55.36 53.18 3n05 s GLN 102 Cb -0.11 -2.89 -0.04 0.00 -0.22 0.00 0.00 33.01 29.76 3n05 s GLN 102 CO 0.30 0.69 1.03 -1.25 -0.25 0.00 0.00 175.29 175.81 3n05 s PRO 103 N -0.84 3.54 0.13 2.91 0.04 -1.26 -0.90 135.00 138.62 3n05 s PRO 103 Ca 0.13 0.83 -0.31 0.00 0.04 0.00 0.00 61.00 61.69 3n05 s PRO 103 Cb -0.12 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.25 3n05 s PRO 103 CO 0.03 -0.62 1.85 0.00 0.04 0.00 0.00 177.00 178.30 3n05 s ALA 104 N -3.05 3.77 0.00 8.56 0.00 -1.25 -2.60 121.76 127.19 3n05 s ALA 104 Ca 0.56 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.99 3n05 s ALA 104 Cb -0.11 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.23 3n05 s ALA 104 CO 0.50 -1.24 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3n05 n GLY 105 N 4.26 0.88 3.75 0.00 0.00 0.21 -4.95 105.19 109.34 3n05 n GLY 105 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3n05 n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n05 s ALA 106 N -2.00 3.48 0.50 4.61 0.00 -1.07 -4.56 121.76 122.72 3n05 s ALA 106 Ca 0.00 1.07 -0.22 0.00 0.00 0.00 0.00 51.96 52.81 3n05 s ALA 106 Cb 0.00 -3.44 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 3n05 s ALA 106 CO 0.00 -0.46 1.26 -1.25 0.00 0.00 0.00 175.76 175.31 3n05 s PRO 107 N -0.71 3.45 -0.01 0.00 0.04 -1.26 -1.09 135.00 135.42 3n05 s PRO 107 Ca 0.52 2.01 0.01 0.00 0.04 0.00 0.00 61.00 63.57 3n05 s PRO 107 Cb -0.36 -2.33 0.01 0.00 0.04 0.00 0.00 34.50 31.86 3n05 s PRO 107 CO 0.41 -0.87 -0.02 -0.98 0.04 0.00 0.00 177.00 175.59 3n05 s ARG 108 N -2.80 0.23 -0.68 4.56 1.70 0.10 -1.01 118.95 121.06 3n05 s ARG 108 Ca 0.67 -0.05 -0.27 0.00 -0.47 0.00 0.00 55.73 55.62 3n05 s ARG 108 Cb -0.34 -0.28 0.03 0.00 -0.57 0.00 0.00 34.95 33.79 3n05 s ARG 108 CO 0.41 0.00 1.21 1.21 -1.08 0.00 0.00 175.30 177.06 3n05 s ASN 109 N 0.23 6.25 0.34 -2.89 3.84 -1.26 -0.98 114.94 120.46 3n05 s ASN 109 Ca -0.02 -0.34 0.09 0.00 0.21 0.00 0.00 52.86 52.81 3n05 s ASN 109 Cb -0.04 -2.54 -0.06 0.00 -0.55 0.00 0.00 41.25 38.06 3n05 s ASN 109 CO -0.01 -1.68 -0.06 0.00 -2.79 0.00 0.00 177.10 172.57 3n05 s ALA 110 N 5.29 3.05 0.02 1.71 0.00 -0.83 -0.34 121.76 130.67 3n05 s ALA 110 Ca 0.36 -2.01 -0.00 0.00 0.00 0.00 0.00 51.96 50.30 3n05 s ALA 110 Cb -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 3n05 s ALA 110 CO 0.18 0.09 -0.02 0.00 0.00 0.00 0.00 175.76 176.01 3n05 s ALA 111 N -2.56 0.09 0.03 0.00 0.00 -0.34 -1.32 121.76 117.66 3n05 s ALA 111 Ca 0.33 -0.53 0.01 0.00 0.00 0.00 0.00 51.96 51.77 3n05 s ALA 111 Cb 0.01 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 3n05 s ALA 111 CO 0.18 -0.15 -0.05 0.00 0.00 0.00 0.00 175.76 175.73 3n05 s ALA 112 N -1.37 0.36 -0.27 0.00 0.00 -0.20 -2.11 121.76 118.16 3n05 s ALA 112 Ca -0.15 -0.60 -0.14 0.00 0.00 0.00 0.00 51.96 51.07 3n05 s ALA 112 Cb -0.09 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3n05 s ALA 112 CO -0.01 -0.06 0.32 0.08 0.00 0.00 0.00 175.76 176.09 3n05 s VAL 113 N -1.21 5.22 -0.21 0.00 1.01 -0.53 -1.40 120.40 123.29 3n05 s VAL 113 Ca -0.11 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.23 3n05 s VAL 113 Cb -0.09 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3n05 s VAL 113 CO -0.00 0.19 0.12 -0.76 0.00 0.00 0.00 175.10 174.66 3n05 s LEU 114 N 1.91 4.10 -0.25 3.92 1.43 0.38 -0.53 118.68 129.63 3n05 s LEU 114 Ca 0.13 0.16 -0.20 0.00 -1.03 0.00 0.00 54.13 53.19 3n05 s LEU 114 Cb -0.16 -2.07 0.07 0.00 0.03 0.00 0.00 46.19 44.07 3n05 s LEU 114 CO 0.10 0.15 0.65 -2.28 0.23 0.00 0.00 176.35 175.20 3n05 s HIS 115 N 0.55 -0.81 -1.72 0.29 2.46 -0.73 -1.50 115.29 113.83 3n05 s HIS 115 Ca 0.07 1.84 0.00 0.00 0.47 0.00 0.00 55.06 57.43 3n05 s HIS 115 Cb -0.12 0.35 0.00 0.00 -0.13 0.00 0.00 32.58 32.68 3n05 s HIS 115 CO 0.00 -0.40 0.00 0.54 -2.47 0.00 0.00 174.74 172.41 3n05 n ARG 116 N 3.26 -1.47 -1.64 2.88 5.12 0.64 -1.98 116.66 123.47 3n05 n ARG 116 Ca -0.16 0.98 -0.05 0.00 -1.93 0.00 0.00 57.85 56.69 3n05 n ARG 116 Cb 0.56 -5.48 -0.01 0.00 -1.16 0.00 0.00 32.46 26.37 3n05 n ARG 116 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3n05 n GLY 117 N -0.92 0.46 3.17 -0.13 0.00 -1.25 -4.98 105.19 101.54 3n05 n GLY 117 Ca -0.22 -0.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 3n05 n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n05 s ARG 118 N -3.38 1.01 -0.59 1.61 0.52 -0.84 -3.69 118.95 113.60 3n05 s ARG 118 Ca 0.00 -1.50 -0.19 0.00 -0.52 0.00 0.00 55.73 53.52 3n05 s ARG 118 Cb 0.00 0.20 0.10 0.00 0.52 0.00 0.00 34.95 35.77 3n05 s ARG 118 CO 0.00 -0.28 0.74 0.08 0.02 0.00 0.00 175.30 175.86 3n05 s VAL 119 N -4.04 4.75 -0.06 3.52 1.01 -1.26 -1.77 120.40 122.55 3n05 s VAL 119 Ca 0.28 -0.86 0.12 0.00 0.00 0.00 0.00 61.98 61.52 3n05 s VAL 119 Cb 0.07 -4.50 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 3n05 s VAL 119 CO 0.05 -1.15 1.29 0.00 0.00 0.00 0.00 175.10 175.28 3n05 h ALA 120 N 9.23 0.57 -2.46 5.51 0.00 -1.07 -3.46 119.26 127.58 3n05 h ALA 120 Ca -0.29 -0.69 -0.10 0.00 0.00 0.00 0.00 54.91 53.83 3n05 h ALA 120 Cb 1.09 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.62 3n05 h ALA 120 CO 1.10 0.90 -0.13 -1.17 0.00 0.00 0.00 179.25 179.95 3n05 s LEU 121 N -6.45 0.24 0.08 0.00 2.96 -1.18 -4.98 118.68 109.34 3n05 s LEU 121 Ca 0.02 0.65 0.03 0.00 -0.22 0.00 0.00 54.13 54.61 3n05 s LEU 121 Cb 0.08 1.68 -0.03 0.00 0.50 0.00 0.00 46.19 48.43 3n05 s LEU 121 CO 0.78 -0.33 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.49 3n05 s THR 122 N -0.49 0.85 0.23 3.68 2.01 -1.26 -1.45 115.64 119.21 3n05 s THR 122 Ca -0.06 -1.42 -0.20 0.00 0.31 0.00 0.00 61.69 60.32 3n05 s THR 122 Cb -0.03 -1.09 0.03 0.00 0.01 0.00 0.00 72.50 71.42 3n05 s THR 122 CO 0.03 -0.45 0.64 0.72 -0.69 0.00 0.00 174.62 174.87 3n05 s PHE 123 N -1.93 -0.24 0.10 4.92 -0.71 -0.90 -5.01 117.98 114.21 3n05 s PHE 123 Ca -0.00 -0.12 0.03 0.00 -1.04 0.00 0.00 56.93 55.80 3n05 s PHE 123 Cb -0.06 0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 42.29 3n05 s PHE 123 CO 0.00 -1.06 -0.09 0.00 -1.34 0.00 0.00 175.22 172.74 3n05 s ALA 124 N -3.87 1.07 0.21 1.99 0.00 -1.26 -1.20 121.76 118.71 3n05 s ALA 124 Ca 0.08 -1.26 -0.30 0.00 0.00 0.00 0.00 51.96 50.48 3n05 s ALA 124 Cb -0.03 0.08 -0.16 0.00 0.00 0.00 0.00 23.12 23.01 3n05 s ALA 124 CO -0.00 -0.12 0.97 1.17 0.00 0.00 0.00 175.76 177.78 3n05 n LYS 125 N 0.28 0.94 -0.14 0.00 4.81 0.54 -3.26 118.16 121.33 3n05 n LYS 125 Ca -0.14 0.33 -0.29 0.00 -0.87 0.00 0.00 58.31 57.34 3n05 n LYS 125 Cb 0.59 -1.68 -0.10 0.00 0.02 0.00 0.00 35.03 33.86 3n05 n LYS 125 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 3n05 n HIS 126 N 0.71 0.10 -3.07 5.64 -0.00 -1.26 -0.94 115.22 116.40 3n05 n HIS 126 Ca 0.14 0.04 -0.42 0.00 -0.00 0.00 0.00 57.72 57.48 3n05 n HIS 126 Cb 0.27 -1.01 -0.06 0.00 -0.00 0.00 0.00 29.99 29.18 3n05 n HIS 126 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 3n05 s HIS 127 N -2.50 3.16 -0.42 1.57 5.65 -1.26 -4.72 115.29 116.76 3n05 s HIS 127 Ca -0.38 0.46 0.04 0.00 0.25 0.00 0.00 55.06 55.42 3n05 s HIS 127 Cb 0.14 -3.16 0.11 0.00 -1.18 0.00 0.00 32.58 28.49 3n05 s HIS 127 CO 0.50 -0.61 0.15 -0.51 -0.65 0.00 0.00 174.74 173.62 3n05 s LEU 128 N 2.77 4.38 0.56 8.88 1.43 -1.26 -4.15 118.68 131.29 3n05 s LEU 128 Ca 0.26 -2.54 -0.19 0.00 -1.03 0.00 0.00 54.13 50.63 3n05 s LEU 128 Cb -0.14 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.44 3n05 s LEU 128 CO 0.14 -0.31 1.13 -2.84 0.23 0.00 0.00 176.35 174.71 3n05 s PRO 129 N 0.37 3.28 0.20 1.29 0.02 -1.26 -4.57 135.00 134.33 3n05 s PRO 129 Ca 0.14 1.61 -0.10 0.00 0.02 0.00 0.00 61.00 62.67 3n05 s PRO 129 Cb -0.22 -1.99 0.12 0.00 0.02 0.00 0.00 34.50 32.42 3n05 s PRO 129 CO -0.05 -0.91 1.77 -0.97 -0.33 0.00 0.00 177.00 176.51 3n05 h ASN 130 N 1.08 0.96 -2.57 2.53 -1.24 -1.99 -3.43 115.58 110.93 3n05 h ASN 130 Ca -0.50 -0.16 -0.46 0.00 0.71 0.00 0.00 56.30 55.89 3n05 h ASN 130 Cb 1.26 -0.25 0.08 0.00 0.73 0.00 0.00 38.32 40.15 3n05 h ASN 130 CO 0.57 0.86 0.13 -0.72 -1.29 0.00 0.00 177.43 176.97 3n05 s TYR 131 N -5.60 1.94 0.00 0.67 -0.85 -1.26 -5.04 117.35 107.21 3n05 s TYR 131 Ca -0.13 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.33 3n05 s TYR 131 Cb 0.14 -3.09 0.00 0.00 0.38 0.00 0.00 41.96 39.40 3n05 s TYR 131 CO 0.81 -1.64 0.00 0.41 -1.52 0.00 0.00 175.55 173.62 3n05 n GLY 132 N -2.86 1.24 0.13 5.49 0.00 -1.26 -4.84 105.19 103.09 3n05 n GLY 132 Ca 0.13 -1.88 -0.03 0.00 0.00 0.00 0.00 46.02 44.24 3n05 n GLY 132 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3n05 h VAL 133 N 0.00 1.47 -2.81 1.61 -1.51 -1.96 -3.45 116.25 109.60 3n05 h VAL 133 Ca 0.00 -2.26 -0.48 0.00 -1.23 0.00 0.00 66.70 62.73 3n05 h VAL 133 Cb 0.00 2.21 0.01 0.00 -2.13 0.00 0.00 31.29 31.38 3n05 h VAL 133 CO 0.00 0.65 -0.20 -0.36 -1.23 0.00 0.00 177.57 176.43 3n05 s PHE 134 N -3.52 3.50 -0.50 5.19 0.08 -1.26 -5.04 117.98 116.43 3n05 s PHE 134 Ca -0.02 0.35 0.07 0.00 0.12 0.00 0.00 56.93 57.46 3n05 s PHE 134 Cb 0.12 -1.89 0.27 0.00 -0.57 0.00 0.00 43.02 40.95 3n05 s PHE 134 CO 0.78 0.15 0.67 -0.40 -0.10 0.00 0.00 175.22 176.32 3n05 n ASP 135 N -1.65 2.00 0.04 1.36 5.68 -1.26 -4.76 116.55 117.95 3n05 n ASP 135 Ca -0.05 -3.11 0.13 0.00 -0.50 0.00 0.00 54.79 51.26 3n05 n ASP 135 Cb 0.56 -0.64 0.37 0.00 -1.14 0.00 0.00 41.12 40.27 3n05 n ASP 135 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3n05 n GLU 136 N 0.89 0.13 -0.19 0.11 1.02 -1.26 -3.66 120.64 117.68 3n05 n GLU 136 Ca 0.26 0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 57.40 3n05 n GLU 136 Cb 0.49 -1.61 0.03 0.00 -0.02 0.00 0.00 31.44 30.32 3n05 n GLU 136 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 3n05 h PHE 137 N 0.00 0.73 0.46 -0.32 3.04 -1.82 0.31 116.94 119.34 3n05 h PHE 137 Ca 0.00 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 3n05 h PHE 137 Cb 0.61 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.88 3n05 h PHE 137 CO 0.00 0.51 -0.31 0.00 -2.02 0.00 0.00 178.31 176.49 3n05 h ARG 138 N 0.74 -0.72 0.00 1.11 3.08 -1.94 -3.37 114.38 113.28 3n05 h ARG 138 Ca 0.20 0.05 -0.15 0.00 0.07 0.00 0.00 59.98 60.14 3n05 h ARG 138 Cb 0.00 0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 3n05 h ARG 138 CO -0.04 -0.48 -2.06 0.66 -1.07 0.00 0.00 179.97 176.99 3n05 n TYR 139 N -5.44 0.00 -3.16 3.04 4.02 -1.09 -4.99 117.16 109.54 3n05 n TYR 139 Ca -0.11 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.42 3n05 n TYR 139 Cb 0.34 -0.65 -0.06 0.00 -0.02 0.00 0.00 39.34 38.94 3n05 n TYR 139 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3n05 s PHE 140 N -2.94 3.61 -0.30 -0.72 0.40 0.11 -4.01 117.98 114.13 3n05 s PHE 140 Ca -0.08 1.30 -0.10 0.00 -0.60 0.00 0.00 56.93 57.46 3n05 s PHE 140 Cb 0.09 -2.56 -0.02 0.00 0.51 0.00 0.00 43.02 41.05 3n05 s PHE 140 CO 0.79 0.33 0.15 0.54 0.70 0.00 0.00 175.22 177.72 3n05 s VAL 141 N -1.56 4.71 0.30 -0.44 0.11 -0.18 -4.82 120.40 118.53 3n05 s VAL 141 Ca 0.43 -0.26 -0.29 0.00 -2.93 0.00 0.00 61.98 58.92 3n05 s VAL 141 Cb -0.16 -3.34 -0.12 0.00 -1.53 0.00 0.00 36.38 31.23 3n05 s VAL 141 CO 0.20 0.14 1.39 -2.65 -3.33 0.00 0.00 175.10 170.86 3n05 n PRO 142 N 4.99 2.23 -2.69 1.54 -0.02 -1.26 -4.65 135.00 135.14 3n05 n PRO 142 Ca -0.14 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 3n05 n PRO 142 Cb 0.50 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3n05 n PRO 142 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3n05 s GLY 143 N 0.04 2.90 -0.14 -1.23 0.00 -0.11 -4.95 107.32 103.82 3n05 s GLY 143 Ca 0.61 0.58 0.16 0.00 0.00 0.00 0.00 44.72 46.06 3n05 s GLY 143 CO 0.56 1.66 1.51 1.22 0.00 0.00 0.00 173.10 178.04 3n05 n ASP 144 N 3.61 4.27 -4.94 1.64 9.92 -1.26 -4.11 116.55 125.67 3n05 n ASP 144 Ca 0.05 -2.65 -0.25 0.00 -0.53 0.00 0.00 54.79 51.42 3n05 n ASP 144 Cb 0.50 -0.52 0.04 0.00 -0.64 0.00 0.00 41.12 40.51 3n05 n ASP 144 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3n05 s THR 145 N -2.19 3.01 -0.44 -3.53 -4.23 -1.26 -2.43 115.64 104.57 3n05 s THR 145 Ca 0.43 -0.28 0.04 0.00 -1.18 0.00 0.00 61.69 60.70 3n05 s THR 145 Cb 0.31 -3.21 0.12 0.00 1.34 0.00 0.00 72.50 71.06 3n05 s THR 145 CO 0.16 -0.20 0.18 -0.32 -0.54 0.00 0.00 174.62 173.91 3n05 s MET 146 N -4.99 1.68 0.18 3.99 1.75 -0.05 -4.65 119.30 117.21 3n05 s MET 146 Ca 0.56 -2.25 -0.30 0.00 -1.25 0.00 0.00 55.69 52.46 3n05 s MET 146 Cb -0.10 -3.10 -0.08 0.00 2.84 0.00 0.00 34.83 34.39 3n05 s MET 146 CO 0.43 -1.06 1.12 -1.25 -0.65 0.00 0.00 175.02 173.61 3n05 s PRO 147 N 0.24 4.57 -0.01 4.11 0.04 -1.26 -2.01 135.00 140.69 3n05 s PRO 147 Ca 0.15 1.75 0.04 0.00 0.04 0.00 0.00 61.00 62.98 3n05 s PRO 147 Cb -0.23 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.03 3n05 s PRO 147 CO -0.04 0.04 -0.12 0.42 0.04 0.00 0.00 177.00 177.34 3n05 s ILE 148 N -0.21 0.98 -0.16 0.56 1.09 -0.17 -2.36 121.20 120.94 3n05 s ILE 148 Ca 0.50 -0.53 -0.01 0.00 -1.10 0.00 0.00 60.65 59.51 3n05 s ILE 148 Cb -0.30 -0.82 -0.01 0.00 -1.06 0.00 0.00 42.46 40.27 3n05 s ILE 148 CO 0.35 0.28 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.67 3n05 s VAL 149 N -0.29 2.99 -0.67 2.92 1.01 0.11 -0.96 120.40 125.50 3n05 s VAL 149 Ca 0.05 -0.66 -0.24 0.00 0.00 0.00 0.00 61.98 61.14 3n05 s VAL 149 Cb -0.05 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 34.11 3n05 s VAL 149 CO -0.00 0.50 1.03 -0.13 0.00 0.00 0.00 175.10 176.49 3n05 s ARG 150 N 0.84 3.13 -0.18 2.72 1.81 0.25 0.34 118.95 127.86 3n05 s ARG 150 Ca -0.04 -0.70 0.00 0.00 -1.72 0.00 0.00 55.73 53.28 3n05 s ARG 150 Cb -0.15 -4.21 0.04 0.00 -0.45 0.00 0.00 34.95 30.17 3n05 s ARG 150 CO 0.00 -1.88 -0.10 -1.17 -0.68 0.00 0.00 175.30 171.47 3n05 s LEU 151 N 4.42 1.97 -1.23 2.53 2.96 -0.66 -0.93 118.68 127.74 3n05 s LEU 151 Ca 0.25 -0.72 -0.13 0.00 -0.22 0.00 0.00 54.13 53.31 3n05 s LEU 151 Cb -0.15 -1.15 -0.01 0.00 0.50 0.00 0.00 46.19 45.39 3n05 s LEU 151 CO 0.11 -0.13 0.68 1.41 -1.32 0.00 0.00 176.35 177.11 3n05 n HIS 152 N 4.75 -1.84 -0.63 5.38 8.25 -1.17 -2.54 115.22 127.43 3n05 n HIS 152 Ca -0.15 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 57.89 3n05 n HIS 152 Cb 0.48 -3.64 0.00 0.00 1.12 0.00 0.00 29.99 27.95 3n05 n HIS 152 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3n05 n GLY 153 N -1.75 1.00 3.53 -1.41 0.00 -1.09 -4.14 105.19 101.33 3n05 n GLY 153 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 3n05 n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n05 s VAL 154 N -2.84 3.75 -0.44 1.61 1.01 -1.05 -3.26 120.40 119.19 3n05 s VAL 154 Ca 0.00 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.30 3n05 s VAL 154 Cb 0.00 -2.59 0.02 0.00 0.00 0.00 0.00 36.38 33.81 3n05 s VAL 154 CO 0.00 0.54 0.88 -1.81 0.00 0.00 0.00 175.10 174.72 3n05 s ASP 155 N -0.15 6.51 -0.31 3.32 -0.00 -1.26 -1.65 116.67 123.12 3n05 s ASP 155 Ca 0.02 0.14 -0.08 0.00 -0.00 0.00 0.00 52.55 52.63 3n05 s ASP 155 Cb -0.13 -2.43 0.01 0.00 -0.00 0.00 0.00 42.92 40.36 3n05 s ASP 155 CO 0.03 -0.97 0.12 -0.63 -0.00 0.00 0.00 175.17 173.71 3n05 s ILE 156 N 3.57 4.25 0.13 0.77 1.01 0.15 0.13 121.20 131.21 3n05 s ILE 156 Ca 0.35 -0.64 -0.11 0.00 0.00 0.00 0.00 60.65 60.26 3n05 s ILE 156 Cb -0.11 -3.21 -0.06 0.00 0.01 0.00 0.00 42.46 39.09 3n05 s ILE 156 CO 0.24 0.03 0.47 0.00 0.00 0.00 0.00 174.94 175.68 3n05 s ALA 157 N 1.54 3.65 -0.00 9.38 0.00 0.91 0.04 121.76 137.28 3n05 s ALA 157 Ca 0.03 -0.29 0.08 0.00 0.00 0.00 0.00 51.96 51.78 3n05 s ALA 157 Cb -0.17 -2.37 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 3n05 s ALA 157 CO 0.04 0.53 -0.25 -0.51 0.00 0.00 0.00 175.76 175.57 3n05 s LEU 158 N -2.13 2.08 0.09 0.00 1.43 -0.99 -0.53 118.68 118.63 3n05 s LEU 158 Ca 0.38 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.91 3n05 s LEU 158 Cb -0.14 -1.26 0.00 0.00 0.03 0.00 0.00 46.19 44.82 3n05 s LEU 158 CO 0.19 0.29 0.21 0.00 0.23 0.00 0.00 176.35 177.27 3n05 s ALA 159 N -0.63 -0.27 -0.15 4.21 0.00 -0.83 -4.57 121.76 119.51 3n05 s ALA 159 Ca 0.10 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.48 3n05 s ALA 159 Cb -0.10 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.56 3n05 s ALA 159 CO -0.00 -0.53 -0.15 0.42 0.00 0.00 0.00 175.76 175.51 3n05 s ILE 160 N -3.86 1.60 0.00 0.00 1.01 -1.26 -1.69 121.20 117.00 3n05 s ILE 160 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 60.65 60.05 3n05 s ILE 160 Cb 0.05 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3n05 s ILE 160 CO -0.11 0.46 0.00 0.00 0.00 0.00 0.00 174.94 175.30 3n05 n GLU 162 N 0.00 0.02 -0.33 0.00 4.71 -1.26 -2.15 120.64 121.63 3n05 n GLU 162 Ca 0.00 0.25 0.09 0.00 -0.01 0.00 0.00 57.16 57.50 3n05 n GLU 162 Cb 0.00 -1.54 0.27 0.00 -1.01 0.00 0.00 31.44 29.15 3n05 n GLU 162 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3n05 h ASP 163 N 0.00 0.71 0.94 1.62 3.32 -1.50 -1.44 116.42 120.07 3n05 h ASP 163 Ca 0.00 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3n05 h ASP 163 Cb 0.28 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3n05 h ASP 163 CO 0.00 0.29 0.00 -0.07 -1.72 0.00 0.00 179.24 177.74 3n05 h LEU 164 N 0.75 0.00 -0.25 1.55 4.07 -1.67 -2.84 115.31 116.91 3n05 h LEU 164 Ca 0.52 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.41 3n05 h LEU 164 Cb 0.72 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.45 3n05 h LEU 164 CO -0.35 0.00 -0.32 -0.50 -1.08 0.00 0.00 178.44 176.18 3n05 h TRP 165 N 0.00 0.00 -3.07 1.13 4.06 -1.42 -3.45 115.95 113.19 3n05 h TRP 165 Ca 0.00 0.00 -0.56 0.00 2.06 0.00 0.00 58.89 60.39 3n05 h TRP 165 Cb 0.47 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.60 3n05 h TRP 165 CO 0.00 0.32 0.74 -1.14 -3.56 0.00 0.00 178.44 174.80 3n05 s GLN 166 N -3.17 4.32 -0.35 0.49 0.74 -1.07 -5.00 119.66 115.63 3n05 s GLN 166 Ca 0.04 1.58 -0.29 0.00 0.05 0.00 0.00 55.36 56.74 3n05 s GLN 166 Cb 0.08 -3.62 0.00 0.00 1.10 0.00 0.00 33.01 30.57 3n05 s GLN 166 CO 0.70 -0.51 1.40 -0.51 -0.55 0.00 0.00 175.29 175.82 3n05 s ASP 167 N 1.49 6.45 0.00 6.67 -0.00 -1.26 -2.30 116.67 127.73 3n05 s ASP 167 Ca 0.53 1.06 0.00 0.00 -0.00 0.00 0.00 52.55 54.14 3n05 s ASP 167 Cb -0.22 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 40.17 3n05 s ASP 167 CO 0.17 -1.29 0.00 0.61 -0.00 0.00 0.00 175.17 174.66 3n05 n GLY 168 N 4.76 0.96 0.00 0.21 0.00 -1.26 -5.09 105.19 104.77 3n05 n GLY 168 Ca 0.16 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.66 3n05 n GLY 168 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n05 n GLY 169 N -0.72 1.10 0.02 -0.02 0.00 -0.97 -4.28 105.19 100.33 3n05 n GLY 169 Ca 0.00 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 44.92 3n05 n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n05 n ARG 170 N 0.00 0.05 0.25 1.61 1.74 -1.26 -3.68 116.66 115.37 3n05 n ARG 170 Ca 0.00 0.04 -0.10 0.00 -0.77 0.00 0.00 57.85 57.02 3n05 n ARG 170 Cb 0.00 -1.56 -0.05 0.00 -1.02 0.00 0.00 32.46 29.83 3n05 n ARG 170 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3n05 h VAL 171 N 0.00 0.00 0.00 1.55 2.07 -1.89 -1.51 116.25 116.47 3n05 h VAL 171 Ca 0.00 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 3n05 h VAL 171 Cb 0.55 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3n05 h VAL 171 CO 0.00 0.00 -0.13 -0.65 0.02 0.00 0.00 177.57 176.81 3n05 h PRO 172 N -0.75 0.00 0.00 1.57 0.11 -1.84 -0.74 132.00 130.35 3n05 h PRO 172 Ca -0.07 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 3n05 h PRO 172 Cb 0.50 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 3n05 h PRO 172 CO 0.11 0.13 -0.15 0.00 -0.21 0.00 0.00 178.00 177.88 3n05 h ALA 173 N 1.87 1.45 0.01 -0.75 0.00 -1.63 -0.28 119.26 119.93 3n05 h ALA 173 Ca -0.00 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.54 3n05 h ALA 173 Cb 0.30 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3n05 h ALA 173 CO 0.02 0.19 -1.14 0.00 0.00 0.00 0.00 179.25 178.32 3n05 h ALA 174 N 1.85 0.39 -0.25 0.00 0.00 -0.04 -2.65 119.26 118.56 3n05 h ALA 174 Ca -0.00 -1.00 -0.07 0.00 0.00 0.00 0.00 54.91 53.85 3n05 h ALA 174 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3n05 h ALA 174 CO 0.02 1.28 -0.10 -0.09 0.00 0.00 0.00 179.25 180.36 3n05 h ARG 175 N 0.01 0.51 0.00 0.00 2.43 -1.10 -2.02 114.38 114.21 3n05 h ARG 175 Ca -0.07 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3n05 h ARG 175 Cb 1.83 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 3n05 h ARG 175 CO 0.13 0.76 0.00 0.43 -1.51 0.00 0.00 179.97 179.78 3n05 n SER 176 N -4.50 0.00 -0.01 -3.80 7.64 -0.17 -2.50 113.62 110.27 3n05 n SER 176 Ca -0.04 -0.22 0.10 0.00 1.01 0.00 0.00 58.87 59.72 3n05 n SER 176 Cb 0.33 -0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 63.16 3n05 n SER 176 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3n05 n ALA 177 N -1.24 3.62 -1.82 -0.43 0.00 -1.00 -4.87 120.51 114.76 3n05 n ALA 177 Ca 0.14 -0.53 -0.00 0.00 0.00 0.00 0.00 53.44 53.05 3n05 n ALA 177 Cb 0.19 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3n05 n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n05 n GLY 178 N 1.39 -0.52 3.69 0.00 0.00 -0.79 -4.47 105.19 104.49 3n05 n GLY 178 Ca -0.00 -0.04 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 3n05 n GLY 178 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n05 s ALA 179 N -2.86 3.32 -0.12 4.61 0.00 -1.04 -4.75 121.76 120.91 3n05 s ALA 179 Ca 0.00 -0.81 -0.23 0.00 0.00 0.00 0.00 51.96 50.92 3n05 s ALA 179 Cb -0.00 -1.49 -0.20 0.00 0.00 0.00 0.00 23.12 21.42 3n05 s ALA 179 CO 0.16 0.60 0.69 0.78 0.00 0.00 0.00 175.76 177.98 3n05 h GLY 180 N 5.06 -0.02 -5.09 0.00 0.00 0.90 -3.46 103.07 100.45 3n05 h GLY 180 Ca -0.51 0.01 -0.68 0.00 0.00 0.00 0.00 47.33 46.15 3n05 h GLY 180 CO 0.55 -0.01 -0.88 -2.27 0.00 0.00 0.00 176.54 173.93 3n05 s LEU 181 N -8.41 2.06 -0.47 3.11 2.96 -0.91 -3.58 118.68 113.44 3n05 s LEU 181 Ca -0.15 -0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 53.13 3n05 s LEU 181 Cb -0.02 -1.36 0.10 0.00 0.50 0.00 0.00 46.19 45.41 3n05 s LEU 181 CO 0.56 0.21 0.36 -0.22 -1.32 0.00 0.00 176.35 175.93 3n05 s LEU 182 N 0.01 5.62 -0.41 -0.68 2.96 0.50 -0.06 118.68 126.61 3n05 s LEU 182 Ca -0.08 -1.70 -0.18 0.00 -0.22 0.00 0.00 54.13 51.95 3n05 s LEU 182 Cb -0.15 -2.06 0.02 0.00 0.50 0.00 0.00 46.19 44.49 3n05 s LEU 182 CO 0.05 -0.67 0.47 -0.22 -1.32 0.00 0.00 176.35 174.66 3n05 s LEU 183 N 1.46 4.75 -0.22 -0.68 0.20 0.31 -0.55 118.68 123.95 3n05 s LEU 183 Ca 0.04 -0.55 -0.04 0.00 0.69 0.00 0.00 54.13 54.26 3n05 s LEU 183 Cb -0.26 -2.45 -0.01 0.00 -0.43 0.00 0.00 46.19 43.04 3n05 s LEU 183 CO 0.02 -0.59 -0.02 -0.55 -0.29 0.00 0.00 176.35 174.92 3n05 s SER 184 N 1.83 4.45 -0.13 3.68 0.15 0.37 -1.96 113.70 122.09 3n05 s SER 184 Ca 0.14 -0.35 -0.06 0.00 0.70 0.00 0.00 55.95 56.37 3n05 s SER 184 Cb -0.16 -1.77 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 3n05 s SER 184 CO 0.14 -0.01 0.10 0.68 1.20 0.00 0.00 173.24 175.35 3n05 s VAL 185 N 1.45 5.17 0.08 4.45 -7.23 -0.68 -0.76 120.40 122.88 3n05 s VAL 185 Ca 0.05 0.09 -0.03 0.00 -1.81 0.00 0.00 61.98 60.28 3n05 s VAL 185 Cb -0.14 -3.26 -0.03 0.00 0.56 0.00 0.00 36.38 33.50 3n05 s VAL 185 CO -0.02 0.57 0.04 0.20 -0.31 0.00 0.00 175.10 175.59 3n05 s ASN 186 N -0.65 0.37 -0.44 4.85 0.01 0.93 -1.69 114.94 118.31 3n05 s ASN 186 Ca 0.12 -0.98 0.06 0.00 -0.71 0.00 0.00 52.86 51.35 3n05 s ASN 186 Cb -0.12 0.26 0.19 0.00 0.41 0.00 0.00 41.25 41.99 3n05 s ASN 186 CO 0.02 -0.66 0.51 0.00 -1.51 0.00 0.00 177.10 175.46 3n05 n ALA 187 N 0.02 1.18 -2.59 0.60 0.00 -1.26 -1.91 120.51 116.55 3n05 n ALA 187 Ca -0.12 -2.45 -0.38 0.00 0.00 0.00 0.00 53.44 50.49 3n05 n ALA 187 Cb 0.62 -1.01 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 3n05 n ALA 187 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3n05 s SER 188 N -0.03 6.03 0.69 0.00 0.15 -1.26 -4.96 113.70 114.32 3n05 s SER 188 Ca 0.32 -0.02 -0.15 0.00 0.70 0.00 0.00 55.95 56.80 3n05 s SER 188 Cb 0.06 -2.12 0.02 0.00 -1.71 0.00 0.00 66.02 62.27 3n05 s SER 188 CO -0.15 -0.06 1.16 -2.16 1.20 0.00 0.00 173.24 173.23 3n05 s PRO 189 N 1.77 2.48 0.05 5.44 0.04 -1.26 -3.91 135.00 139.60 3n05 s PRO 189 Ca 0.07 1.59 -0.30 0.00 0.04 0.00 0.00 61.00 62.40 3n05 s PRO 189 Cb -0.16 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 3n05 s PRO 189 CO 0.11 -1.54 0.98 -0.47 0.04 0.00 0.00 177.00 176.13 3n05 s TYR 190 N -2.14 3.71 -0.09 0.56 5.04 0.11 -4.85 117.35 119.70 3n05 s TYR 190 Ca 0.71 1.73 0.01 0.00 -2.44 0.00 0.00 57.07 57.07 3n05 s TYR 190 Cb -0.25 -3.11 0.02 0.00 0.35 0.00 0.00 41.96 38.97 3n05 s TYR 190 CO 0.43 0.02 -0.10 -2.00 -1.34 0.00 0.00 175.55 172.56 3n05 s GLU 191 N 0.59 1.64 -0.15 4.97 2.12 -1.26 -4.50 118.70 122.10 3n05 s GLU 191 Ca 0.50 -0.35 -0.29 0.00 0.36 0.00 0.00 54.97 55.20 3n05 s GLU 191 Cb -0.22 -1.50 -0.05 0.00 0.26 0.00 0.00 34.13 32.62 3n05 s GLU 191 CO 0.29 -0.11 1.83 0.50 -0.54 0.00 0.00 175.26 177.22 3n05 s ARG 192 N 1.15 3.76 -0.11 4.30 6.06 0.26 -4.97 118.95 129.41 3n05 s ARG 192 Ca -0.05 1.99 -0.07 0.00 -2.50 0.00 0.00 55.73 55.09 3n05 s ARG 192 Cb -0.14 -4.13 0.04 0.00 0.06 0.00 0.00 34.95 30.77 3n05 s ARG 192 CO -0.02 -1.36 0.26 0.34 -2.50 0.00 0.00 175.30 172.02 3n05 s ASP 193 N 5.08 -0.28 0.39 -2.12 3.68 -1.26 -4.89 116.67 117.27 3n05 s ASP 193 Ca 0.82 0.55 0.12 0.00 2.13 0.00 0.00 52.55 56.16 3n05 s ASP 193 Cb -0.31 0.49 0.80 0.00 -1.45 0.00 0.00 42.92 42.44 3n05 s ASP 193 CO 0.33 -0.13 1.89 0.07 0.13 0.00 0.00 175.17 177.46 3n05 h LYS 194 N 6.52 0.09 -7.03 4.34 2.10 -2.03 -3.43 116.57 117.13 3n05 h LYS 194 Ca -0.34 -0.03 -0.48 0.00 -2.00 0.00 0.00 60.65 57.81 3n05 h LYS 194 Cb 1.17 -0.01 0.02 0.00 -0.90 0.00 0.00 32.23 32.52 3n05 h LYS 194 CO 0.36 0.34 0.40 -0.51 -2.00 0.00 0.00 179.45 178.03 3n05 s ASP 195 N -6.93 6.52 -1.24 7.07 1.01 -1.26 -4.98 116.67 116.86 3n05 s ASP 195 Ca -0.04 1.98 -0.12 0.00 0.71 0.00 0.00 52.55 55.08 3n05 s ASP 195 Cb 0.15 -2.57 0.17 0.00 1.01 0.00 0.00 42.92 41.68 3n05 s ASP 195 CO 0.72 -0.66 1.60 -0.67 0.21 0.00 0.00 175.17 176.38 3n05 n ASP 196 N -0.58 5.17 0.24 0.27 2.03 -1.26 -4.81 116.55 117.61 3n05 n ASP 196 Ca 0.07 -3.03 0.08 0.00 0.52 0.00 0.00 54.79 52.44 3n05 n ASP 196 Cb 0.51 -1.54 0.60 0.00 -0.72 0.00 0.00 41.12 39.97 3n05 n ASP 196 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 3n05 h THR 197 N 4.32 0.91 -0.09 5.18 1.35 -1.93 -1.34 112.91 121.31 3n05 h THR 197 Ca 0.35 -0.57 -0.01 0.00 -0.55 0.00 0.00 66.41 65.63 3n05 h THR 197 Cb 0.78 1.33 -0.00 0.00 -1.73 0.00 0.00 68.15 68.53 3n05 h THR 197 CO 1.39 0.15 0.03 -0.09 -0.25 0.00 0.00 175.52 176.75 3n05 h ARG 198 N 0.00 0.14 -0.44 4.72 9.65 -2.00 -0.30 114.38 126.15 3n05 h ARG 198 Ca -0.00 -0.03 -0.10 0.00 -1.10 0.00 0.00 59.98 58.75 3n05 h ARG 198 Cb 0.31 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.86 3n05 h ARG 198 CO 0.02 0.30 -0.11 1.25 2.80 0.00 0.00 179.97 184.23 3n05 h LEU 199 N -0.05 0.86 -0.63 3.80 5.85 -1.84 -2.00 115.31 121.29 3n05 h LEU 199 Ca 0.03 -0.36 0.07 0.00 0.84 0.00 0.00 57.88 58.46 3n05 h LEU 199 Cb 0.22 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.96 3n05 h LEU 199 CO -0.00 1.02 0.30 -0.33 -0.34 0.00 0.00 178.44 179.10 3n05 h GLU 200 N 0.68 0.53 0.20 1.25 5.08 -1.19 0.17 114.58 121.29 3n05 h GLU 200 Ca 0.11 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3n05 h GLU 200 Cb 0.65 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3n05 h GLU 200 CO 0.04 0.35 -0.10 1.25 -1.00 0.00 0.00 179.01 179.56 3n05 h LEU 201 N 0.55 -0.23 -0.77 1.33 5.85 -0.91 -2.76 115.31 118.38 3n05 h LEU 201 Ca 0.30 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.71 3n05 h LEU 201 Cb 0.28 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3n05 h LEU 201 CO -0.23 0.05 -0.59 0.58 -0.34 0.00 0.00 178.44 177.91 3n05 h VAL 202 N -0.52 1.41 0.40 1.05 2.07 -1.16 -1.90 116.25 117.60 3n05 h VAL 202 Ca -0.03 -1.99 -0.02 0.00 0.82 0.00 0.00 66.70 65.48 3n05 h VAL 202 Cb 0.39 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.21 3n05 h VAL 202 CO 0.04 0.58 -0.19 -0.09 0.02 0.00 0.00 177.57 177.93 3n05 h ARG 203 N 0.07 -0.51 -0.81 1.57 2.43 -0.75 -0.91 114.38 115.46 3n05 h ARG 203 Ca -0.01 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.29 3n05 h ARG 203 Cb 1.06 0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 30.67 3n05 h ARG 203 CO 0.08 -0.23 0.53 -0.22 -1.51 0.00 0.00 179.97 178.62 3n05 h LYS 204 N -0.77 0.75 0.12 0.20 3.64 -1.42 -2.35 116.57 116.75 3n05 h LYS 204 Ca -0.05 -0.05 -0.29 0.00 -1.27 0.00 0.00 60.65 58.99 3n05 h LYS 204 Cb 0.52 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.17 3n05 h LYS 204 CO 0.09 0.50 -1.35 0.00 -2.27 0.00 0.00 179.45 176.41 3n05 h ARG 205 N 0.77 0.26 -0.02 1.90 -0.00 -1.31 -1.91 114.38 114.07 3n05 h ARG 205 Ca 0.37 -0.45 -0.10 0.00 -0.50 0.00 0.00 59.98 59.30 3n05 h ARG 205 Cb 0.40 0.17 -0.01 0.00 0.00 0.00 0.00 29.97 30.53 3n05 h ARG 205 CO -0.14 1.17 -0.47 0.00 0.00 0.00 0.00 179.97 180.53 3n05 h ALA 206 N 0.55 1.18 -0.06 0.04 0.00 -0.94 0.88 119.26 120.91 3n05 h ALA 206 Ca -0.17 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 3n05 h ALA 206 Cb 1.99 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 3n05 h ALA 206 CO 0.19 0.60 -0.09 1.96 0.00 0.00 0.00 179.25 181.90 3n05 h GLN 207 N 0.04 0.17 -0.86 0.00 4.20 -1.48 0.34 115.11 117.52 3n05 h GLN 207 Ca -0.00 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3n05 h GLN 207 Cb 0.85 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.60 3n05 h GLN 207 CO 0.06 0.67 0.55 1.49 -0.67 0.00 0.00 178.83 180.93 3n05 h GLU 208 N -0.32 1.15 -0.01 1.46 4.81 -1.15 -1.72 114.58 118.81 3n05 h GLU 208 Ca 0.00 -0.09 -0.16 0.00 -0.13 0.00 0.00 59.36 58.99 3n05 h GLU 208 Cb 0.65 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 3n05 h GLU 208 CO 0.02 0.78 -0.74 0.00 -0.73 0.00 0.00 179.01 178.34 3n05 h ALA 209 N 1.43 0.73 -2.42 2.92 0.00 -0.88 -3.44 119.26 117.60 3n05 h ALA 209 Ca 0.31 -0.65 -0.18 0.00 0.00 0.00 0.00 54.91 54.39 3n05 h ALA 209 Cb -0.09 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 17.63 3n05 h ALA 209 CO -0.06 0.87 -0.27 0.41 0.00 0.00 0.00 179.25 180.20 3n05 n GLY 210 N 0.59 0.18 3.71 0.00 0.00 0.05 -4.29 105.19 105.42 3n05 n GLY 210 Ca -0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 3n05 n GLY 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n05 s THR 212 N -3.19 3.26 -0.12 0.00 2.01 -1.23 -3.73 115.64 112.64 3n05 s THR 212 Ca 0.19 0.90 0.00 0.00 0.31 0.00 0.00 61.69 63.09 3n05 s THR 212 Cb -0.03 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.92 3n05 s THR 212 CO 0.12 0.07 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.12 3n05 s THR 213 N 1.14 1.24 -0.31 -0.82 2.01 0.10 -0.37 115.64 118.63 3n05 s THR 213 Ca 0.65 -0.43 -0.10 0.00 0.31 0.00 0.00 61.69 62.12 3n05 s THR 213 Cb -0.37 -1.21 -0.01 0.00 0.01 0.00 0.00 72.50 70.92 3n05 s THR 213 CO 0.30 0.40 0.15 0.00 -0.69 0.00 0.00 174.62 174.79 3n05 s ALA 214 N 1.57 3.27 -0.64 7.40 0.00 0.29 -1.71 121.76 131.95 3n05 s ALA 214 Ca 0.04 -1.39 -0.16 0.00 0.00 0.00 0.00 51.96 50.45 3n05 s ALA 214 Cb -0.13 -2.37 0.15 0.00 0.00 0.00 0.00 23.12 20.77 3n05 s ALA 214 CO -0.08 -0.90 0.61 -0.47 0.00 0.00 0.00 175.76 174.91 3n05 s TYR 215 N 1.61 3.38 -0.14 0.00 5.04 -0.12 -0.47 117.35 126.64 3n05 s TYR 215 Ca 0.04 -1.47 -0.19 0.00 -2.44 0.00 0.00 57.07 53.02 3n05 s TYR 215 Cb -0.17 -3.84 -0.04 0.00 0.35 0.00 0.00 41.96 38.27 3n05 s TYR 215 CO 0.06 -1.05 0.51 -1.17 -1.34 0.00 0.00 175.55 172.56 3n05 s LEU 216 N 1.29 4.23 0.14 6.97 2.96 0.06 -2.50 118.68 131.83 3n05 s LEU 216 Ca 0.09 0.79 0.11 0.00 -0.22 0.00 0.00 54.13 54.90 3n05 s LEU 216 Cb -0.23 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 3n05 s LEU 216 CO -0.00 -0.07 -0.25 0.00 -1.32 0.00 0.00 176.35 174.70 3n05 s ALA 217 N 1.00 2.46 0.58 5.97 0.00 -1.26 -0.05 121.76 130.46 3n05 s ALA 217 Ca 0.26 -1.48 -0.17 0.00 0.00 0.00 0.00 51.96 50.56 3n05 s ALA 217 Cb -0.15 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.51 3n05 s ALA 217 CO 0.10 0.53 1.09 1.41 0.00 0.00 0.00 175.76 178.89 3n05 s MET 218 N -2.19 3.27 0.05 0.00 1.75 -0.80 -4.53 119.30 116.85 3n05 s MET 218 Ca 0.16 1.41 0.05 0.00 -1.25 0.00 0.00 55.69 56.06 3n05 s MET 218 Cb -0.10 -2.01 -0.02 0.00 2.84 0.00 0.00 34.83 35.54 3n05 s MET 218 CO 0.07 -0.88 -0.15 -1.50 -0.65 0.00 0.00 175.02 171.92 3n05 s ILE 219 N -2.12 1.17 0.00 10.11 -1.16 -1.00 -1.90 121.20 126.30 3n05 s ILE 219 Ca 0.68 -1.11 0.00 0.00 -0.51 0.00 0.00 60.65 59.71 3n05 s ILE 219 Cb -0.20 -1.07 0.00 0.00 0.61 0.00 0.00 42.46 41.80 3n05 s ILE 219 CO 0.32 -0.04 0.00 0.61 -2.81 0.00 0.00 174.94 173.02 3n05 n GLY 220 N 1.71 1.66 3.52 1.50 0.00 -0.65 -3.83 105.19 109.10 3n05 n GLY 220 Ca -0.19 -2.10 -0.32 0.00 0.00 0.00 0.00 46.02 43.42 3n05 n GLY 220 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3n05 s GLY 221 N 0.00 1.65 -0.23 -0.02 0.00 -1.26 0.53 107.32 107.99 3n05 s GLY 221 Ca 0.00 -1.10 -0.03 0.00 0.00 0.00 0.00 44.72 43.59 3n05 s GLY 221 CO 0.00 -0.97 0.22 1.62 0.00 0.00 0.00 173.10 173.98 3n05 s GLN 222 N -1.36 0.21 7.23 2.90 2.00 0.33 -4.86 119.66 126.10 3n05 s GLN 222 Ca 0.15 0.07 0.00 0.00 -2.00 0.00 0.00 55.36 53.58 3n05 s GLN 222 Cb -0.11 -1.13 0.00 0.00 0.80 0.00 0.00 33.01 32.57 3n05 s GLN 222 CO 0.06 -0.76 0.00 -0.25 -0.50 0.00 0.00 175.29 173.84 3n05 n ASP 223 N 5.31 0.00 -0.04 6.67 10.43 -1.26 -2.01 116.55 135.64 3n05 n ASP 223 Ca -0.05 0.00 0.14 0.00 2.57 0.00 0.00 54.79 57.45 3n05 n ASP 223 Cb 0.48 0.00 0.59 0.00 1.84 0.00 0.00 41.12 44.03 3n05 n ASP 223 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3n05 n GLU 224 N 14.00 0.34 -3.72 -1.24 1.02 -1.26 -4.71 120.64 125.07 3n05 n GLU 224 Ca 0.00 -0.09 -0.34 0.00 -0.02 0.00 0.00 57.16 56.71 3n05 n GLU 224 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.87 3n05 n GLU 224 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3n05 s LEU 225 N -2.72 4.36 -0.08 -4.62 1.43 -0.85 -0.47 118.68 115.73 3n05 s LEU 225 Ca 0.22 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.95 3n05 s LEU 225 Cb 0.19 -2.78 0.01 0.00 0.03 0.00 0.00 46.19 43.64 3n05 s LEU 225 CO 0.52 0.22 -0.19 -0.69 0.23 0.00 0.00 176.35 176.45 3n05 s VAL 226 N -1.34 1.65 -0.19 -1.59 1.01 -1.26 -0.51 120.40 118.17 3n05 s VAL 226 Ca 0.29 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.36 3n05 s VAL 226 Cb -0.13 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.75 3n05 s VAL 226 CO 0.17 0.47 0.27 -0.36 0.00 0.00 0.00 175.10 175.65 3n05 s PHE 227 N 0.45 3.40 -1.39 5.22 0.40 0.19 0.10 117.98 126.36 3n05 s PHE 227 Ca -0.16 0.49 0.20 0.00 -0.60 0.00 0.00 56.93 56.86 3n05 s PHE 227 Cb -0.17 -2.35 0.72 0.00 0.51 0.00 0.00 43.02 41.73 3n05 s PHE 227 CO 0.06 0.15 1.62 -0.40 0.70 0.00 0.00 175.22 177.36 3n05 n ASP 228 N 3.93 4.61 0.00 1.36 5.75 -1.25 -1.63 116.55 129.31 3n05 n ASP 228 Ca -0.12 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.33 3n05 n ASP 228 Cb 0.52 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 3n05 n ASP 228 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3n05 n GLY 229 N 1.32 3.49 3.25 6.12 0.00 -0.80 -2.23 105.19 116.34 3n05 n GLY 229 Ca 0.26 0.24 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 3n05 n GLY 229 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3n05 n ASP 230 N 8.40 -2.57 -4.77 1.61 4.64 -0.98 -4.64 116.55 118.23 3n05 n ASP 230 Ca 0.00 -0.56 -0.41 0.00 -1.38 0.00 0.00 54.79 52.45 3n05 n ASP 230 Cb 0.00 -4.72 -0.01 0.00 -1.04 0.00 0.00 41.12 35.35 3n05 n ASP 230 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 3n05 s SER 231 N -4.12 6.55 0.08 1.67 0.01 -1.26 -4.73 113.70 111.90 3n05 s SER 231 Ca 0.07 2.81 0.07 0.00 1.31 0.00 0.00 55.95 60.22 3n05 s SER 231 Cb -0.03 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.51 3n05 s SER 231 CO 0.67 -0.70 -0.19 -0.63 0.41 0.00 0.00 173.24 172.79 3n05 s ILE 232 N -1.15 1.57 -0.09 1.44 1.01 -1.04 0.12 121.20 123.06 3n05 s ILE 232 Ca 0.51 -1.42 0.03 0.00 0.00 0.00 0.00 60.65 59.78 3n05 s ILE 232 Cb -0.42 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.61 3n05 s ILE 232 CO 0.56 -0.04 -0.17 -0.69 0.00 0.00 0.00 174.94 174.60 3n05 s VAL 233 N -1.10 2.73 -0.02 2.92 1.01 -0.67 -0.94 120.40 124.32 3n05 s VAL 233 Ca 0.05 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.24 3n05 s VAL 233 Cb -0.10 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.20 3n05 s VAL 233 CO 0.03 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 174.93 3n05 s VAL 234 N -0.05 0.60 1.11 2.92 1.01 -0.69 -0.56 120.40 124.74 3n05 s VAL 234 Ca -0.04 -0.25 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 3n05 s VAL 234 Cb -0.14 -0.56 0.27 0.00 0.00 0.00 0.00 36.38 35.94 3n05 s VAL 234 CO 0.04 0.20 1.25 1.51 0.00 0.00 0.00 175.10 178.11 3n05 s ASP 235 N 0.32 1.78 0.40 3.32 3.84 -0.66 -0.72 116.67 124.94 3n05 s ASP 235 Ca -0.04 0.29 0.14 0.00 -0.00 0.00 0.00 52.55 52.94 3n05 s ASP 235 Cb -0.09 -0.31 0.99 0.00 -1.38 0.00 0.00 42.92 42.14 3n05 s ASP 235 CO 0.00 -3.56 1.87 -0.09 -0.00 0.00 0.00 175.17 173.39 3n05 h ARG 236 N -2.21 0.49 0.00 2.11 9.65 -1.84 -2.84 114.38 119.73 3n05 h ARG 236 Ca -0.43 -0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.33 3n05 h ARG 236 Cb 1.24 -0.11 -0.02 0.00 -1.39 0.00 0.00 29.97 29.70 3n05 h ARG 236 CO 0.29 0.32 -1.37 -0.25 2.80 0.00 0.00 179.97 181.77 3n05 n ASP 237 N -4.53 0.70 0.00 -3.80 9.92 -1.26 -4.13 116.55 113.45 3n05 n ASP 237 Ca 0.18 0.29 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 3n05 n ASP 237 Cb 0.59 0.56 0.00 0.00 -0.64 0.00 0.00 41.12 41.63 3n05 n ASP 237 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3n05 n GLY 238 N 1.30 1.98 3.50 0.44 0.00 -1.07 -4.90 105.19 106.44 3n05 n GLY 238 Ca -0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.63 3n05 n GLY 238 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3n05 s GLU 239 N -0.16 2.60 -0.32 1.61 8.01 -1.26 -4.87 118.70 124.30 3n05 s GLU 239 Ca 0.00 -0.66 -0.29 0.00 0.01 0.00 0.00 54.97 54.04 3n05 s GLU 239 Cb 0.00 -2.44 -0.02 0.00 -4.31 0.00 0.00 34.13 27.36 3n05 s GLU 239 CO 0.00 0.62 1.72 0.08 0.01 0.00 0.00 175.26 177.69 3n05 s VAL 240 N -0.71 3.57 0.04 2.63 1.01 -1.26 -1.65 120.40 124.02 3n05 s VAL 240 Ca 0.11 0.59 -0.15 0.00 0.00 0.00 0.00 61.98 62.53 3n05 s VAL 240 Cb -0.11 -3.73 -0.33 0.00 0.00 0.00 0.00 36.38 32.21 3n05 s VAL 240 CO 0.01 -0.44 1.05 0.58 0.00 0.00 0.00 175.10 176.30 3n05 h VAL 241 N 6.65 1.30 -3.23 2.92 2.07 -1.18 -3.48 116.25 121.29 3n05 h VAL 241 Ca -0.33 -2.64 -0.05 0.00 0.82 0.00 0.00 66.70 64.50 3n05 h VAL 241 Cb 1.16 2.92 -0.13 0.00 -1.52 0.00 0.00 31.29 33.72 3n05 h VAL 241 CO 1.03 0.80 -0.01 0.00 0.02 0.00 0.00 177.57 179.41 3n05 s ALA 242 N -2.73 -1.10 -0.20 1.67 0.00 -1.18 -4.43 121.76 113.78 3n05 s ALA 242 Ca -0.09 0.14 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 3n05 s ALA 242 Cb 0.05 0.68 0.10 0.00 0.00 0.00 0.00 23.12 23.94 3n05 s ALA 242 CO 0.94 -0.64 0.41 0.50 0.00 0.00 0.00 175.76 176.97 3n05 s ARG 243 N -3.57 0.32 0.65 0.00 6.06 -1.13 -1.66 118.95 119.61 3n05 s ARG 243 Ca 0.01 0.97 -0.11 0.00 -2.50 0.00 0.00 55.73 54.10 3n05 s ARG 243 Cb 0.01 0.24 -0.02 0.00 0.06 0.00 0.00 34.95 35.24 3n05 s ARG 243 CO -0.11 -0.30 1.04 0.00 -2.50 0.00 0.00 175.30 173.44 3n05 s ALA 244 N 2.60 2.90 0.73 6.12 0.00 0.12 -0.89 121.76 133.34 3n05 s ALA 244 Ca 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 3n05 s ALA 244 Cb -0.12 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 19.90 3n05 s ALA 244 CO -0.13 -0.91 1.12 -1.25 0.00 0.00 0.00 175.76 174.59 3n05 s PRO 245 N -5.01 2.36 0.06 0.00 0.04 -1.26 -4.39 135.00 126.79 3n05 s PRO 245 Ca 0.57 1.36 -0.19 0.00 0.04 0.00 0.00 61.00 62.79 3n05 s PRO 245 Cb -0.13 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.45 3n05 s PRO 245 CO 0.52 -1.59 0.54 -0.65 0.04 0.00 0.00 177.00 175.86 3n05 s GLN 246 N -4.43 4.15 -1.67 4.56 -0.21 -1.26 -2.32 119.66 118.48 3n05 s GLN 246 Ca 0.66 0.68 0.00 0.00 0.02 0.00 0.00 55.36 56.72 3n05 s GLN 246 Cb -0.20 -3.23 0.00 0.00 1.00 0.00 0.00 33.01 30.57 3n05 s GLN 246 CO 0.49 0.65 0.00 1.19 -2.12 0.00 0.00 175.29 175.50 3n05 n PHE 247 N 1.72 -0.67 -4.13 0.91 3.72 -0.95 -4.96 117.46 113.11 3n05 n PHE 247 Ca -0.11 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.14 3n05 n PHE 247 Cb 0.51 -3.52 -0.14 0.00 -0.94 0.00 0.00 39.48 35.40 3n05 n PHE 247 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 3n05 s SER 248 N -2.31 0.67 0.36 4.37 0.01 -1.26 -5.01 113.70 110.53 3n05 s SER 248 Ca 0.00 -0.22 -0.27 0.00 1.31 0.00 0.00 55.95 56.77 3n05 s SER 248 Cb 0.00 -0.04 -0.09 0.00 0.21 0.00 0.00 66.02 66.10 3n05 s SER 248 CO 0.00 -0.01 1.22 -0.70 0.41 0.00 0.00 173.24 174.16 3n05 s GLU 249 N -0.54 4.21 -0.08 12.44 2.12 -1.26 -4.86 118.70 130.74 3n05 s GLU 249 Ca -0.02 2.00 -0.30 0.00 0.36 0.00 0.00 54.97 57.01 3n05 s GLU 249 Cb -0.04 -2.88 0.10 0.00 0.26 0.00 0.00 34.13 31.56 3n05 s GLU 249 CO -0.00 -0.23 1.36 0.20 -0.54 0.00 0.00 175.26 176.04 3n05 s GLY 250 N -0.83 -0.21 0.09 -1.50 0.00 -0.75 -5.05 107.32 99.06 3n05 s GLY 250 Ca 0.53 0.18 0.05 0.00 0.00 0.00 0.00 44.72 45.48 3n05 s GLY 250 CO 0.45 6.20 -0.13 0.00 0.00 0.00 0.00 173.10 179.62 3n05 s VAL 252 N -1.65 2.31 -0.16 0.00 1.01 -0.09 -4.99 120.40 116.83 3n05 s VAL 252 Ca 0.02 -1.27 0.01 0.00 0.00 0.00 0.00 61.98 60.73 3n05 s VAL 252 Cb -0.08 -2.20 0.02 0.00 0.00 0.00 0.00 36.38 34.12 3n05 s VAL 252 CO 0.02 0.20 -0.18 -0.69 0.00 0.00 0.00 175.10 174.45 3n05 s VAL 253 N 1.21 1.88 0.25 2.92 1.01 -1.26 -0.24 120.40 126.17 3n05 s VAL 253 Ca -0.02 -0.83 -0.16 0.00 0.00 0.00 0.00 61.98 60.97 3n05 s VAL 253 Cb -0.17 -1.71 0.01 0.00 0.00 0.00 0.00 36.38 34.51 3n05 s VAL 253 CO -0.07 0.51 0.55 -1.48 0.00 0.00 0.00 175.10 174.61 3n05 s LEU 254 N 1.29 0.14 0.01 3.92 2.34 -1.01 -4.30 118.68 121.06 3n05 s LEU 254 Ca 0.03 -0.78 0.06 0.00 0.06 0.00 0.00 54.13 53.50 3n05 s LEU 254 Cb -0.13 2.07 -0.03 0.00 -0.56 0.00 0.00 46.19 47.54 3n05 s LEU 254 CO -0.11 -1.19 -0.18 -1.81 -1.06 0.00 0.00 176.35 172.01 3n05 s ASP 255 N -2.97 3.76 0.19 1.48 1.01 -0.87 -1.40 116.67 117.86 3n05 s ASP 255 Ca 0.18 -0.38 0.07 0.00 0.71 0.00 0.00 52.55 53.13 3n05 s ASP 255 Cb -0.02 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.23 3n05 s ASP 255 CO 0.07 0.28 -0.14 -0.76 0.21 0.00 0.00 175.17 174.83 3n05 s LEU 256 N -1.18 2.53 -0.26 1.23 1.43 -1.22 -4.90 118.68 116.30 3n05 s LEU 256 Ca 0.13 -0.98 -0.08 0.00 -1.03 0.00 0.00 54.13 52.17 3n05 s LEU 256 Cb -0.10 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 3n05 s LEU 256 CO 0.03 -0.17 0.09 -1.81 0.23 0.00 0.00 176.35 174.73 3n05 s ASP 257 N -3.14 5.27 -0.01 2.29 -0.00 -1.26 -4.02 116.67 115.80 3n05 s ASP 257 Ca 0.20 -0.24 0.03 0.00 -0.00 0.00 0.00 52.55 52.53 3n05 s ASP 257 Cb -0.01 -1.95 -0.01 0.00 -0.00 0.00 0.00 42.92 40.95 3n05 s ASP 257 CO 0.06 -0.06 -0.10 -0.76 -0.00 0.00 0.00 175.17 174.31 3n05 s LEU 258 N 1.63 2.02 0.15 1.23 1.43 -0.04 -4.90 118.68 120.19 3n05 s LEU 258 Ca 0.06 -0.18 -0.31 0.00 -1.03 0.00 0.00 54.13 52.68 3n05 s LEU 258 Cb -0.15 -0.50 -0.08 0.00 0.03 0.00 0.00 46.19 45.49 3n05 s LEU 258 CO 0.05 0.12 1.31 -2.16 0.23 0.00 0.00 176.35 175.89 3n05 s PRO 259 N -0.25 4.38 0.64 1.29 0.04 -1.26 0.15 135.00 139.99 3n05 s PRO 259 Ca 0.04 2.00 -0.14 0.00 0.04 0.00 0.00 61.00 62.94 3n05 s PRO 259 Cb -0.04 -3.24 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 3n05 s PRO 259 CO -0.00 -0.30 1.06 0.00 0.04 0.00 0.00 177.00 177.80 3n05 s ALA 260 N 0.60 2.67 0.42 8.56 0.00 -1.26 -4.38 121.76 128.37 3n05 s ALA 260 Ca 0.59 0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.93 3n05 s ALA 260 Cb -0.35 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3n05 s ALA 260 CO 0.34 -1.03 0.53 0.00 0.00 0.00 0.00 175.76 175.60 3n05 s ALA 261 N -2.66 4.43 0.69 0.00 0.00 -1.20 -4.98 121.76 118.04 3n05 s ALA 261 Ca 0.62 -1.73 -0.15 0.00 0.00 0.00 0.00 51.96 50.71 3n05 s ALA 261 Cb -0.16 -1.49 0.02 0.00 0.00 0.00 0.00 23.12 21.49 3n05 s ALA 261 CO 0.44 -0.28 1.14 -1.21 0.00 0.00 0.00 175.76 175.85 3n05 s GLU 262 N -4.31 2.52 0.30 0.00 8.01 -1.26 -4.95 118.70 119.01 3n05 s GLU 262 Ca 0.54 1.51 0.03 0.00 0.01 0.00 0.00 54.97 57.06 3n05 s GLU 262 Cb -0.08 -1.90 0.48 0.00 -4.31 0.00 0.00 34.13 28.32 3n05 s GLU 262 CO 0.32 -1.49 1.78 0.00 0.01 0.00 0.00 175.26 175.88 3n05 h ALA 263 N -0.15 1.21 -3.02 5.21 0.00 -2.01 -3.30 119.26 117.21 3n05 h ALA 263 Ca -0.47 -0.29 -0.71 0.00 0.00 0.00 0.00 54.91 53.44 3n05 h ALA 263 Cb 1.26 -0.13 -0.33 0.00 0.00 0.00 0.00 17.79 18.59 3n05 h ALA 263 CO 0.52 0.51 -0.37 -1.83 0.00 0.00 0.00 179.25 178.09 3n05 s GLU 264 N -4.69 2.52 0.78 0.00 1.03 -1.26 -5.11 118.70 111.97 3n05 s GLU 264 Ca -0.07 -2.20 -0.08 0.00 0.03 0.00 0.00 54.97 52.65 3n05 s GLU 264 Cb 0.14 -3.81 0.11 0.00 -0.80 0.00 0.00 34.13 29.78 3n05 s GLU 264 CO 0.78 -1.17 1.10 -1.25 -1.33 0.00 0.00 175.26 173.39 3n05 s PRO 265 N 0.53 1.65 0.63 -4.83 0.04 -1.24 -5.07 135.00 126.71 3n05 s PRO 265 Ca 0.13 -0.49 -0.15 0.00 0.04 0.00 0.00 61.00 60.53 3n05 s PRO 265 Cb -0.21 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.20 3n05 s PRO 265 CO -0.04 -1.61 1.07 -2.14 0.04 0.00 0.00 177.00 174.32 3n05 s PRO 266 N -5.40 3.10 0.10 0.56 0.02 -1.26 -5.08 135.00 127.04 3n05 s PRO 266 Ca 0.65 1.20 -0.05 0.00 0.02 0.00 0.00 61.00 62.82 3n05 s PRO 266 Cb -0.08 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.42 3n05 s PRO 266 CO 0.47 -0.98 0.13 0.99 -0.33 0.00 0.00 177.00 177.27 3n05 s THR 267 N -2.55 0.14 0.00 0.99 2.01 -1.26 -5.02 115.64 109.96 3n05 s THR 267 Ca 0.63 -1.51 0.00 0.00 0.31 0.00 0.00 61.69 61.13 3n05 s THR 267 Cb -0.17 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 70.74 3n05 s THR 267 CO 0.42 -0.64 0.00 0.61 -0.69 0.00 0.00 174.62 174.31 3n05 n GLY 268 N -0.05 -1.75 3.74 4.40 0.00 -1.26 -4.98 105.19 105.28 3n05 n GLY 268 Ca -0.12 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 3n05 n GLY 268 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3n05 s VAL 269 N 0.00 2.36 0.00 1.61 1.01 -1.26 -3.41 120.40 120.71 3n05 s VAL 269 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.27 3n05 s VAL 269 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3n05 s VAL 269 CO 0.00 0.04 0.00 0.52 0.00 0.00 0.00 175.10 175.66 3n05 n VAL 270 N 2.67 0.00 -0.06 2.92 0.31 -0.71 -4.89 118.33 118.56 3n05 n VAL 270 Ca 0.09 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.37 3n05 n VAL 270 Cb 0.38 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.27 3n05 n VAL 270 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 3n05 h ASP 271 N 0.00 0.00 -0.52 4.52 3.32 -1.89 -3.30 116.42 118.55 3n05 h ASP 271 Ca 0.00 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3n05 h ASP 271 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3n05 h ASP 271 CO 0.00 0.72 0.00 -0.67 -1.72 0.00 0.00 179.24 177.57 3n05 n ASP 272 N -4.70 4.07 -0.08 6.45 2.03 -1.26 -4.84 116.55 118.22 3n05 n ASP 272 Ca -0.05 -2.41 0.00 0.00 0.52 0.00 0.00 54.79 52.85 3n05 n ASP 272 Cb 0.20 -0.54 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 3n05 n ASP 272 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3n05 n GLY 273 N 0.93 1.11 3.67 0.27 0.00 -1.24 -5.06 105.19 104.86 3n05 n GLY 273 Ca 0.21 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 3n05 n GLY 273 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n05 s LEU 274 N -0.16 4.17 -0.17 0.99 1.43 -1.26 -4.71 118.68 118.97 3n05 s LEU 274 Ca 0.00 0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 53.64 3n05 s LEU 274 Cb 0.00 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 43.40 3n05 s LEU 274 CO 0.00 -0.20 0.77 -0.60 0.23 0.00 0.00 176.35 176.55 3n05 s ARG 275 N 1.60 4.29 -0.18 1.70 3.52 -1.02 -1.75 118.95 127.12 3n05 s ARG 275 Ca 0.27 0.90 -0.29 0.00 -0.13 0.00 0.00 55.73 56.48 3n05 s ARG 275 Cb -0.16 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.63 3n05 s ARG 275 CO 0.10 -0.26 1.78 0.42 -0.81 0.00 0.00 175.30 176.53 3n05 s ILE 276 N 1.95 3.47 -0.44 4.11 1.01 -1.22 -0.87 121.20 129.20 3n05 s ILE 276 Ca 0.36 0.52 -0.10 0.00 0.00 0.00 0.00 60.65 61.43 3n05 s ILE 276 Cb -0.16 -3.47 0.09 0.00 0.01 0.00 0.00 42.46 38.92 3n05 s ILE 276 CO 0.12 -0.20 0.30 -0.62 0.00 0.00 0.00 174.94 174.55 3n05 s ASP 277 N 4.98 5.71 0.13 3.58 2.15 -0.85 -4.79 116.67 127.58 3n05 s ASP 277 Ca 0.79 -1.60 -0.17 0.00 0.43 0.00 0.00 52.55 52.00 3n05 s ASP 277 Cb -0.29 -2.02 -0.07 0.00 -0.30 0.00 0.00 42.92 40.24 3n05 s ASP 277 CO 0.32 -0.60 0.58 -0.13 -0.17 0.00 0.00 175.17 175.18 3n05 s ARG 278 N 1.43 4.10 -0.08 4.34 0.52 -1.26 -0.99 118.95 127.00 3n05 s ARG 278 Ca 0.04 0.64 0.01 0.00 -0.52 0.00 0.00 55.73 55.89 3n05 s ARG 278 Cb -0.24 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.21 3n05 s ARG 278 CO 0.02 0.53 -0.09 -1.17 0.02 0.00 0.00 175.30 174.61 3n05 s LEU 279 N -1.64 1.39 -0.31 2.53 2.96 -0.14 -4.95 118.68 118.53 3n05 s LEU 279 Ca 0.35 -0.27 -0.07 0.00 -0.22 0.00 0.00 54.13 53.92 3n05 s LEU 279 Cb -0.17 -0.77 0.01 0.00 0.50 0.00 0.00 46.19 45.76 3n05 s LEU 279 CO 0.19 -0.05 0.09 -0.69 -1.32 0.00 0.00 176.35 174.58 3n05 s VAL 280 N 1.15 3.96 -0.21 1.68 1.01 -1.26 -0.59 120.40 126.15 3n05 s VAL 280 Ca -0.06 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.00 3n05 s VAL 280 Cb -0.14 -3.08 -0.19 0.00 0.00 0.00 0.00 36.38 32.97 3n05 s VAL 280 CO -0.02 0.03 0.09 -0.38 0.00 0.00 0.00 175.10 174.82 3n05 n ILE 281 N 4.86 1.58 -3.70 2.22 -0.00 -0.11 -4.95 119.36 119.27 3n05 n ILE 281 Ca -0.14 -0.27 -0.17 0.00 -0.00 0.00 0.00 62.75 62.17 3n05 n ILE 281 Cb 0.47 -1.90 -0.16 0.00 -0.00 0.00 0.00 39.64 38.05 3n05 n ILE 281 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.55 176.11 3n05 s SER 282 N -7.01 0.67 0.04 4.38 0.01 -0.74 -4.95 113.70 106.10 3n05 s SER 282 Ca -0.30 0.18 0.06 0.00 1.31 0.00 0.00 55.95 57.19 3n05 s SER 282 Cb 0.08 0.04 -0.24 0.00 0.21 0.00 0.00 66.02 66.11 3n05 s SER 282 CO 0.61 -0.21 0.97 -0.33 0.41 0.00 0.00 173.24 174.69 3n05 h GLU 283 N 8.06 0.07 -5.84 12.44 5.08 -1.93 -2.85 114.58 129.61 3n05 h GLU 283 Ca -0.23 -0.13 -0.60 0.00 -1.00 0.00 0.00 59.36 57.41 3n05 h GLU 283 Cb 1.12 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 30.35 3n05 h GLU 283 CO 0.24 0.88 -0.22 -1.21 -1.00 0.00 0.00 179.01 177.71 3n05 s GLU 284 N -2.65 4.06 0.64 2.33 2.02 -1.26 -3.59 118.70 120.25 3n05 s GLU 284 Ca -0.04 0.35 -0.17 0.00 0.02 0.00 0.00 54.97 55.13 3n05 s GLU 284 Cb 0.08 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 31.00 3n05 s GLU 284 CO 0.83 0.49 1.19 -2.14 0.02 0.00 0.00 175.26 175.65 3n05 s PRO 285 N -0.39 2.70 0.49 0.39 0.01 -1.26 -3.85 135.00 133.08 3n05 s PRO 285 Ca 0.23 1.75 -0.22 0.00 0.01 0.00 0.00 61.00 62.76 3n05 s PRO 285 Cb -0.15 -1.90 -0.07 0.00 0.01 0.00 0.00 34.50 32.38 3n05 s PRO 285 CO 0.11 -1.40 1.17 -1.17 0.01 0.00 0.00 177.00 175.72 3n05 s LEU 286 N -4.50 3.93 -0.43 -5.54 2.96 -1.26 -4.92 118.68 108.93 3n05 s LEU 286 Ca 0.75 2.30 -0.27 0.00 -0.22 0.00 0.00 54.13 56.70 3n05 s LEU 286 Cb -0.29 -4.33 -0.06 0.00 0.50 0.00 0.00 46.19 42.01 3n05 s LEU 286 CO 0.38 -1.04 2.35 -2.16 -1.32 0.00 0.00 176.35 174.56 3n05 s PRO 287 N -2.86 2.36 0.10 0.98 0.04 -1.26 -4.89 135.00 129.46 3n05 s PRO 287 Ca 0.66 1.55 -0.34 0.00 0.04 0.00 0.00 61.00 62.91 3n05 s PRO 287 Cb -0.28 -4.53 -0.14 0.00 0.04 0.00 0.00 34.50 29.59 3n05 s PRO 287 CO 0.33 -2.99 1.64 0.00 0.04 0.00 0.00 177.00 176.03 3n05 n ALA 288 N 14.83 1.14 -3.00 8.56 0.00 -1.26 -4.95 120.51 135.83 3n05 n ALA 288 Ca 0.35 0.41 0.00 0.00 0.00 0.00 0.00 53.44 54.20 3n05 n ALA 288 Cb 0.52 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3n05 n ALA 288 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 3n05 n TYR 289 N 4.12 -0.09 -2.07 0.00 -0.00 -1.26 -5.09 117.16 112.77 3n05 n TYR 289 Ca 0.18 0.00 -0.35 0.00 -0.00 0.00 0.00 57.90 57.73 3n05 n TYR 289 Cb 0.28 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.59 3n05 n TYR 289 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 3n05 s GLU 290 N -0.87 2.64 -0.34 -3.48 2.12 -1.26 -4.94 118.70 112.57 3n05 s GLU 290 Ca 0.00 0.26 -0.29 0.00 0.36 0.00 0.00 54.97 55.30 3n05 s GLU 290 Cb 0.00 -4.61 -0.01 0.00 0.26 0.00 0.00 34.13 29.77 3n05 s GLU 290 CO 0.00 -2.91 1.67 0.00 -0.54 0.00 0.00 175.26 173.48 3n05 s ALA 291 N 9.20 2.96 0.00 6.30 0.00 -1.26 -4.83 121.76 134.13 3n05 s ALA 291 Ca 0.66 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.79 3n05 s ALA 291 Cb -0.10 -3.98 0.00 0.00 0.00 0.00 0.00 23.12 19.04 3n05 s ALA 291 CO 0.13 -2.49 0.00 -0.85 0.00 0.00 0.00 175.76 172.55 3n05 n GLU 292 N 8.26 1.27 -2.90 0.00 0.28 -1.26 -5.04 120.64 121.25 3n05 n GLU 292 Ca 0.21 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.79 3n05 n GLU 292 Cb 0.47 -0.86 -0.04 0.00 1.43 0.00 0.00 31.44 32.44 3n05 n GLU 292 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3n05 s LEU 293 N -3.85 4.08 -0.03 -1.84 1.43 -1.26 -4.93 118.68 112.27 3n05 s LEU 293 Ca 0.00 0.96 0.15 0.00 -1.03 0.00 0.00 54.13 54.22 3n05 s LEU 293 Cb 0.00 -3.16 -0.20 0.00 0.03 0.00 0.00 46.19 42.85 3n05 s LEU 293 CO 0.00 -0.53 0.62 0.00 0.23 0.00 0.00 176.35 176.66 3n05 n ALA 294 N 6.04 1.70 0.00 4.21 0.00 -1.26 -2.06 120.51 129.14 3n05 n ALA 294 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3n05 n ALA 294 Cb 0.48 -0.78 0.00 0.00 0.00 0.00 0.00 19.45 19.15 3n05 n ALA 294 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n05 n GLY 295 N 1.52 2.89 0.00 0.00 0.00 -1.26 -4.66 105.19 103.67 3n05 n GLY 295 Ca -0.16 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3n05 n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n05 n GLY 296 N 0.00 -2.67 3.47 -0.02 0.00 -1.26 -4.81 105.19 99.90 3n05 n GLY 296 Ca 0.00 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 3n05 n GLY 296 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3n05 s TYR 297 N -1.08 3.09 0.65 1.61 6.14 -1.26 -2.84 117.35 123.66 3n05 s TYR 297 Ca 0.00 -0.38 -0.15 0.00 0.64 0.00 0.00 57.07 57.18 3n05 s TYR 297 Cb 0.00 -3.29 -0.00 0.00 0.42 0.00 0.00 41.96 39.09 3n05 s TYR 297 CO 0.00 -0.89 1.11 0.00 0.64 0.00 0.00 175.55 176.41 3n05 s ALA 298 N 2.50 2.49 0.21 3.97 0.00 -0.07 -4.94 121.76 125.91 3n05 s ALA 298 Ca 0.16 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.37 3n05 s ALA 298 Cb -0.17 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 3n05 s ALA 298 CO 0.14 -1.24 1.39 -0.51 0.00 0.00 0.00 175.76 175.54 3n05 s ASP 299 N -2.56 6.76 0.05 0.00 1.11 -1.26 -4.90 116.67 115.87 3n05 s ASP 299 Ca 0.67 2.52 -0.30 0.00 0.18 0.00 0.00 52.55 55.62 3n05 s ASP 299 Cb -0.20 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.13 3n05 s ASP 299 CO 0.41 -0.64 1.02 -0.13 1.18 0.00 0.00 175.17 177.01 3n05 s ARG 300 N 0.05 4.58 0.43 8.23 1.81 -1.26 -4.77 118.95 128.01 3n05 s ARG 300 Ca 0.60 1.51 -0.23 0.00 -1.72 0.00 0.00 55.73 55.89 3n05 s ARG 300 Cb -0.39 -3.40 -0.09 0.00 -0.45 0.00 0.00 34.95 30.62 3n05 s ARG 300 CO 0.39 -0.01 1.06 -0.51 -0.68 0.00 0.00 175.30 175.55 3n05 s LEU 301 N 0.64 4.04 0.72 2.53 1.43 -1.26 -5.06 118.68 121.71 3n05 s LEU 301 Ca 0.52 2.04 -0.09 0.00 -1.03 0.00 0.00 54.13 55.56 3n05 s LEU 301 Cb -0.24 -4.30 0.05 0.00 0.03 0.00 0.00 46.19 41.73 3n05 s LEU 301 CO 0.29 -0.63 1.07 1.51 0.23 0.00 0.00 176.35 178.82 3n05 s ASP 302 N -1.66 5.03 0.25 2.29 1.47 -1.26 -4.75 116.67 118.04 3n05 s ASP 302 Ca 0.61 0.78 -0.03 0.00 1.18 0.00 0.00 52.55 55.10 3n05 s ASP 302 Cb -0.21 -1.48 0.47 0.00 -0.34 0.00 0.00 42.92 41.36 3n05 s ASP 302 CO 0.26 -1.53 1.77 0.00 0.68 0.00 0.00 175.17 176.36 3n05 h ALA 303 N -0.68 1.21 -0.26 2.11 0.00 -1.99 0.12 119.26 119.77 3n05 h ALA 303 Ca -0.45 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.40 3n05 h ALA 303 Cb 1.29 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3n05 h ALA 303 CO 0.63 -0.04 -0.35 -0.44 0.00 0.00 0.00 179.25 179.04 3n05 h ASP 304 N 0.66 0.75 -0.69 0.00 3.45 -1.97 -2.87 116.42 115.75 3n05 h ASP 304 Ca 0.43 -0.51 -0.06 0.00 0.43 0.00 0.00 57.03 57.32 3n05 h ASP 304 Cb 0.55 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.07 3n05 h ASP 304 CO -0.32 1.11 0.19 -0.08 -1.57 0.00 0.00 179.24 178.57 3n05 h GLU 305 N 0.42 1.09 -0.00 3.56 4.81 -1.61 -1.47 114.58 121.38 3n05 h GLU 305 Ca 0.03 -0.25 0.02 0.00 -0.13 0.00 0.00 59.36 59.02 3n05 h GLU 305 Cb 0.94 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 3n05 h GLU 305 CO 0.08 0.95 -0.09 1.49 -0.73 0.00 0.00 179.01 180.72 3n05 h GLU 306 N 1.02 -0.15 -0.48 1.92 4.81 -0.84 -0.01 114.58 120.86 3n05 h GLU 306 Ca 0.22 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.44 3n05 h GLU 306 Cb 0.34 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 3n05 h GLU 306 CO -0.00 -0.10 0.22 0.28 -0.73 0.00 0.00 179.01 178.68 3n05 h VAL 307 N -0.15 1.19 -0.81 0.32 2.07 -1.39 -2.53 116.25 114.96 3n05 h VAL 307 Ca 0.04 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3n05 h VAL 307 Cb 0.20 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 3n05 h VAL 307 CO -0.09 0.22 0.40 0.22 0.02 0.00 0.00 177.57 178.33 3n05 h TYR 308 N 0.63 1.15 -0.51 1.57 3.20 -1.04 -2.16 116.97 119.81 3n05 h TYR 308 Ca 0.16 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3n05 h TYR 308 Cb 0.14 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 3n05 h TYR 308 CO -0.00 0.83 0.23 0.77 -1.64 0.00 0.00 178.16 178.34 3n05 h SER 309 N 1.15 0.68 -0.34 -2.11 0.02 -0.82 -1.89 113.55 110.24 3n05 h SER 309 Ca 0.28 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.12 3n05 h SER 309 Cb 0.10 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 3n05 h SER 309 CO -0.04 0.63 0.13 0.00 -1.14 0.00 0.00 176.83 176.42 3n05 h ALA 310 N 1.07 0.40 -0.94 3.77 0.00 -1.13 0.12 119.26 122.55 3n05 h ALA 310 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3n05 h ALA 310 Cb 0.15 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3n05 h ALA 310 CO -0.02 -0.26 0.56 -0.07 0.00 0.00 0.00 179.25 179.46 3n05 h LEU 311 N 0.29 1.13 0.20 0.00 3.38 -1.25 -0.66 115.31 118.40 3n05 h LEU 311 Ca 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3n05 h LEU 311 Cb 0.11 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3n05 h LEU 311 CO -0.14 0.87 -0.10 0.58 0.09 0.00 0.00 178.44 179.74 3n05 h VAL 312 N 1.30 0.89 -0.92 1.22 2.07 -0.73 -2.32 116.25 117.76 3n05 h VAL 312 Ca 0.34 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.31 3n05 h VAL 312 Cb -0.05 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 30.89 3n05 h VAL 312 CO -0.06 0.13 0.61 0.58 0.02 0.00 0.00 177.57 178.84 3n05 h VAL 313 N -0.56 1.19 0.16 2.57 2.07 -0.62 0.25 116.25 121.31 3n05 h VAL 313 Ca -0.03 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3n05 h VAL 313 Cb 0.42 -0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 30.06 3n05 h VAL 313 CO 0.05 0.22 -0.14 1.23 0.02 0.00 0.00 177.57 178.94 3n05 h GLY 314 N 1.20 -0.31 0.94 2.17 0.00 -1.11 -1.75 103.07 104.21 3n05 h GLY 314 Ca 0.36 0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.85 3n05 h GLY 314 CO -0.10 -0.14 0.01 -2.00 0.00 0.00 0.00 176.54 174.30 3n05 h LEU 315 N -0.32 0.02 -0.79 3.11 5.85 -1.07 -2.31 115.31 119.80 3n05 h LEU 315 Ca -0.00 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.76 3n05 h LEU 315 Cb 0.30 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 3n05 h LEU 315 CO -0.03 0.07 0.43 -0.09 -0.34 0.00 0.00 178.44 178.49 3n05 h ARG 316 N -0.04 0.68 -0.29 1.25 2.43 -0.91 -1.82 114.38 115.69 3n05 h ARG 316 Ca 0.01 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3n05 h ARG 316 Cb 0.06 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3n05 h ARG 316 CO -0.00 0.45 -0.04 0.00 -1.51 0.00 0.00 179.97 178.87 3n05 h ALA 317 N 1.47 0.39 0.00 2.80 0.00 -1.22 -0.74 119.26 121.97 3n05 h ALA 317 Ca 0.40 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3n05 h ALA 317 Cb 0.42 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3n05 h ALA 317 CO -0.28 0.18 -0.23 -0.92 0.00 0.00 0.00 179.25 178.01 3n05 h TYR 318 N 0.31 0.00 0.10 0.00 5.03 -0.85 -1.17 116.97 120.38 3n05 h TYR 318 Ca 0.08 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.38 3n05 h TYR 318 Cb 0.50 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.78 3n05 h TYR 318 CO 0.04 0.23 -0.05 0.28 -1.32 0.00 0.00 178.16 177.35 3n05 h VAL 319 N 0.00 0.79 0.24 1.81 2.07 -1.25 -3.34 116.25 116.57 3n05 h VAL 319 Ca -0.00 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 3n05 h VAL 319 Cb 0.41 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3n05 h VAL 319 CO 0.03 0.24 -0.12 0.00 0.02 0.00 0.00 177.57 177.74 3n05 h ALA 320 N -0.48 -0.32 0.00 1.67 0.00 -0.98 -1.45 119.26 117.70 3n05 h ALA 320 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3n05 h ALA 320 Cb 0.49 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3n05 h ALA 320 CO 0.02 -0.49 0.00 0.87 0.00 0.00 0.00 179.25 179.65 3n05 h LYS 321 N -0.70 0.00 -0.54 0.00 1.57 -1.43 0.51 116.57 115.97 3n05 h LYS 321 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3n05 h LYS 321 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3n05 h LYS 321 CO 0.05 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 179.02 3n05 n ASN 322 N -3.07 2.90 -0.34 0.86 3.02 -1.17 -4.94 115.26 112.52 3n05 n ASN 322 Ca -0.01 -2.01 -0.04 0.00 -0.03 0.00 0.00 54.58 52.48 3n05 n ASN 322 Cb 0.17 -0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 38.96 3n05 n ASN 322 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3n05 n GLY 323 N 1.34 0.63 3.91 7.41 0.00 0.17 -5.03 105.19 113.62 3n05 n GLY 323 Ca 0.18 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 3n05 n GLY 323 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n05 s PHE 324 N -2.16 3.19 0.00 1.61 0.08 -0.55 -5.04 117.98 115.10 3n05 s PHE 324 Ca 0.00 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.92 3n05 s PHE 324 Cb 0.00 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.82 3n05 s PHE 324 CO 0.00 0.34 0.00 -2.13 -0.10 0.00 0.00 175.22 173.33 3n05 n ARG 325 N -1.37 2.86 -4.19 0.44 0.63 -1.26 -4.14 116.66 109.63 3n05 n ARG 325 Ca -0.06 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.75 3n05 n ARG 325 Cb 0.58 -0.96 -0.10 0.00 0.45 0.00 0.00 32.46 32.43 3n05 n ARG 325 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 3n05 s SER 326 N -3.08 1.31 0.15 6.15 1.04 -1.26 -4.85 113.70 113.15 3n05 s SER 326 Ca 0.00 -0.98 0.07 0.00 0.48 0.00 0.00 55.95 55.52 3n05 s SER 326 Cb 0.00 0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 3n05 s SER 326 CO 0.00 -0.41 -0.16 0.68 0.98 0.00 0.00 173.24 174.33 3n05 s VAL 327 N -3.41 1.59 -0.18 5.02 -7.23 -0.82 -2.02 120.40 113.35 3n05 s VAL 327 Ca 0.12 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 3n05 s VAL 327 Cb 0.04 -1.72 0.01 0.00 0.56 0.00 0.00 36.38 35.27 3n05 s VAL 327 CO -0.03 -0.38 -0.18 -0.22 -0.31 0.00 0.00 175.10 173.98 3n05 s LEU 328 N -2.62 2.27 -0.13 1.32 2.96 0.04 -1.48 118.68 121.05 3n05 s LEU 328 Ca 0.13 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.48 3n05 s LEU 328 Cb -0.05 -1.52 0.01 0.00 0.50 0.00 0.00 46.19 45.13 3n05 s LEU 328 CO 0.05 0.02 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.27 3n05 s ILE 329 N 1.18 1.88 0.23 6.68 1.01 -0.40 -1.57 121.20 130.20 3n05 s ILE 329 Ca 0.02 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.50 3n05 s ILE 329 Cb -0.14 -1.67 -0.09 0.00 0.01 0.00 0.00 42.46 40.57 3n05 s ILE 329 CO -0.08 0.52 1.11 -0.83 0.00 0.00 0.00 174.94 175.65 3n05 s GLY 330 N 0.83 2.94 -0.20 6.18 0.00 -1.26 -2.00 107.32 113.81 3n05 s GLY 330 Ca -0.08 0.87 0.01 0.00 0.00 0.00 0.00 44.72 45.52 3n05 s GLY 330 CO -0.01 1.59 -0.14 1.08 0.00 0.00 0.00 173.10 175.62 3n05 s LEU 331 N -0.91 2.40 0.00 0.66 1.43 0.36 -4.85 118.68 117.77 3n05 s LEU 331 Ca 0.47 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3n05 s LEU 331 Cb -0.31 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3n05 s LEU 331 CO 0.38 -0.09 0.90 -1.54 0.23 0.00 0.00 176.35 176.22 3n05 n SER 332 N 4.62 1.78 0.00 2.29 3.41 -1.26 -4.09 113.62 120.37 3n05 n SER 332 Ca -0.17 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 3n05 n SER 332 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3n05 n SER 332 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n05 n GLY 333 N -0.40 2.97 3.44 5.00 0.00 -1.23 -4.51 105.19 110.47 3n05 n GLY 333 Ca 0.00 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 3n05 n GLY 333 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n05 n GLY 334 N 0.00 -1.81 0.28 -0.02 0.00 -1.26 -4.62 105.19 97.76 3n05 n GLY 334 Ca 0.00 -0.70 -0.06 0.00 0.00 0.00 0.00 46.02 45.26 3n05 n GLY 334 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3n05 h ILE 335 N -1.44 1.26 -0.15 -0.61 6.09 -1.97 -2.99 117.51 117.70 3n05 h ILE 335 Ca -0.44 -1.15 -0.01 0.00 -1.37 0.00 0.00 64.86 61.90 3n05 h ILE 335 Cb 1.29 1.01 -0.01 0.00 0.47 0.00 0.00 36.82 39.58 3n05 h ILE 335 CO 0.36 0.39 0.07 0.44 -3.07 0.00 0.00 178.15 176.34 3n05 h ASP 336 N 0.72 0.20 -0.16 2.19 3.32 -1.92 -1.24 116.42 119.53 3n05 h ASP 336 Ca 0.12 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 3n05 h ASP 336 Cb 0.57 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3n05 h ASP 336 CO 0.04 0.28 0.01 0.77 -1.72 0.00 0.00 179.24 178.61 3n05 h SER 337 N 0.11 0.36 -0.17 6.45 4.64 -1.83 -1.40 113.55 121.71 3n05 h SER 337 Ca 0.05 -0.05 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3n05 h SER 337 Cb 0.13 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 62.13 3n05 h SER 337 CO -0.01 0.42 -0.59 0.00 -0.87 0.00 0.00 176.83 175.78 3n05 h ALA 338 N 1.63 0.30 -0.34 5.18 0.00 -1.34 -2.24 119.26 122.45 3n05 h ALA 338 Ca 0.09 -0.53 -0.14 0.00 0.00 0.00 0.00 54.91 54.33 3n05 h ALA 338 Cb 0.24 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3n05 h ALA 338 CO 0.00 0.54 -0.35 1.25 0.00 0.00 0.00 179.25 180.70 3n05 h LEU 339 N 0.39 0.82 -0.22 0.00 5.85 -0.99 -0.41 115.31 120.75 3n05 h LEU 339 Ca -0.03 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.34 3n05 h LEU 339 Cb 1.21 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 3n05 h LEU 339 CO 0.12 1.09 0.14 0.58 -0.34 0.00 0.00 178.44 180.03 3n05 h VAL 340 N 0.65 1.09 -0.51 1.05 2.07 -1.30 -0.00 116.25 119.29 3n05 h VAL 340 Ca 0.06 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.43 3n05 h VAL 340 Cb 0.90 0.82 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3n05 h VAL 340 CO 0.08 0.08 0.23 0.00 0.02 0.00 0.00 177.57 177.98 3n05 h ALA 341 N 1.04 0.64 -0.52 1.67 0.00 -1.23 0.47 119.26 121.34 3n05 h ALA 341 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3n05 h ALA 341 Cb 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3n05 h ALA 341 CO -0.02 -0.14 0.31 0.00 0.00 0.00 0.00 179.25 179.40 3n05 h ALA 342 N 1.30 0.67 -0.35 0.00 0.00 -0.76 -1.24 119.26 118.88 3n05 h ALA 342 Ca 0.23 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3n05 h ALA 342 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3n05 h ALA 342 CO -0.19 0.01 -0.00 0.82 0.00 0.00 0.00 179.25 179.88 3n05 h ILE 343 N 0.61 1.26 -0.97 0.00 2.04 -0.49 -2.52 117.51 117.44 3n05 h ILE 343 Ca 0.21 -0.98 0.03 0.00 1.00 0.00 0.00 64.86 65.13 3n05 h ILE 343 Cb 0.03 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.27 3n05 h ILE 343 CO -0.10 0.32 0.64 0.00 0.00 0.00 0.00 178.15 179.01 3n05 h ALA 344 N 0.86 1.28 -0.31 1.87 0.00 -0.74 -0.42 119.26 121.80 3n05 h ALA 344 Ca 0.10 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3n05 h ALA 344 Cb 0.46 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3n05 h ALA 344 CO 0.02 0.54 -0.25 0.00 0.00 0.00 0.00 179.25 179.55 3n05 h ASP 346 N 0.54 0.32 0.12 0.00 3.32 -1.06 -1.78 116.42 117.89 3n05 h ASP 346 Ca 0.07 -0.18 -0.23 0.00 0.02 0.00 0.00 57.03 56.71 3n05 h ASP 346 Cb 0.72 -0.09 0.02 0.00 0.22 0.00 0.00 39.33 40.21 3n05 h ASP 346 CO 0.06 0.84 -0.98 0.00 -1.72 0.00 0.00 179.24 177.44 3n05 h ALA 347 N 1.16 -0.05 -0.00 3.45 0.00 -0.67 -3.40 119.26 119.76 3n05 h ALA 347 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.19 3n05 h ALA 347 Cb 1.11 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3n05 h ALA 347 CO 0.10 0.50 -0.21 1.28 0.00 0.00 0.00 179.25 180.91 3n05 n LEU 348 N -4.00 0.45 0.00 0.00 4.77 0.19 -4.86 117.00 113.55 3n05 n LEU 348 Ca -0.13 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3n05 n LEU 348 Cb 0.87 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.96 3n05 n LEU 348 CO 0.53 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3n05 n GLY 349 N 1.00 -1.32 0.28 -0.72 0.00 -0.67 -4.48 105.19 99.28 3n05 n GLY 349 Ca 0.01 -1.33 0.14 0.00 0.00 0.00 0.00 46.02 44.85 3n05 n GLY 349 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n05 h ALA 350 N 0.00 1.30 -0.66 4.61 0.00 -1.86 -2.34 119.26 120.31 3n05 h ALA 350 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3n05 h ALA 350 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3n05 h ALA 350 CO 0.00 0.09 0.33 1.96 0.00 0.00 0.00 179.25 181.63 3n05 h GLN 351 N 0.00 0.92 -0.57 0.00 7.50 -1.87 -2.74 115.11 118.35 3n05 h GLN 351 Ca -0.00 -0.11 0.00 0.00 0.50 0.00 0.00 58.65 59.04 3n05 h GLN 351 Cb 0.23 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 27.58 3n05 h GLN 351 CO 0.01 0.70 0.00 0.09 -1.50 0.00 0.00 178.83 178.12 3n05 n ASN 352 N -4.36 2.34 -4.28 1.46 3.02 -0.88 -4.75 115.26 107.81 3n05 n ASN 352 Ca 0.06 -2.20 -0.33 0.00 -0.03 0.00 0.00 54.58 52.09 3n05 n ASN 352 Cb 0.12 -0.39 -0.15 0.00 -0.61 0.00 0.00 39.78 38.74 3n05 n ASN 352 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3n05 s VAL 353 N -1.66 2.69 -0.21 2.41 1.01 -1.03 -1.94 120.40 121.65 3n05 s VAL 353 Ca 0.22 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3n05 s VAL 353 Cb 0.14 -2.12 0.04 0.00 0.00 0.00 0.00 36.38 34.44 3n05 s VAL 353 CO 0.11 0.52 -0.11 -0.31 0.00 0.00 0.00 175.10 175.30 3n05 s TYR 354 N 0.69 2.67 -0.02 5.22 2.02 -0.55 -1.62 117.35 125.76 3n05 s TYR 354 Ca -0.07 -1.79 -0.01 0.00 -0.37 0.00 0.00 57.07 54.83 3n05 s TYR 354 Cb -0.16 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 3n05 s TYR 354 CO 0.02 -0.79 0.08 0.20 -1.57 0.00 0.00 175.55 173.49 3n05 s GLY 355 N 1.31 2.01 -0.10 0.71 0.00 0.50 -1.28 107.32 110.48 3n05 s GLY 355 Ca -0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 44.72 43.83 3n05 s GLY 355 CO -0.08 -0.71 0.02 0.14 0.00 0.00 0.00 173.10 172.48 3n05 s VAL 356 N -1.16 0.29 -0.11 1.40 1.01 -0.85 -2.32 120.40 118.66 3n05 s VAL 356 Ca 0.22 0.01 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 3n05 s VAL 356 Cb -0.12 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 3n05 s VAL 356 CO 0.12 0.11 0.73 -0.55 0.00 0.00 0.00 175.10 175.51 3n05 s SER 357 N 1.99 6.94 -0.64 3.32 0.15 -0.63 -0.49 113.70 124.34 3n05 s SER 357 Ca 0.04 1.14 0.05 0.00 0.70 0.00 0.00 55.95 57.88 3n05 s SER 357 Cb -0.13 -2.42 0.19 0.00 -1.71 0.00 0.00 66.02 61.95 3n05 s SER 357 CO -0.06 -0.21 0.54 0.23 1.20 0.00 0.00 173.24 174.95 3n05 n MET 358 N 4.32 1.78 -2.78 5.44 2.81 -1.26 -1.99 117.12 125.44 3n05 n MET 358 Ca 0.00 -4.34 -0.33 0.00 -1.81 0.00 0.00 57.70 51.23 3n05 n MET 358 Cb 0.50 -2.16 -0.06 0.00 -0.71 0.00 0.00 33.22 30.79 3n05 n MET 358 CO 0.00 0.00 0.00 -2.14 1.51 0.00 0.00 175.97 175.34 3n05 s PRO 359 N -1.55 4.12 0.00 0.03 0.02 -1.25 -4.66 135.00 131.71 3n05 s PRO 359 Ca 0.30 0.99 0.00 0.00 0.02 0.00 0.00 61.00 62.31 3n05 s PRO 359 Cb 0.03 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.33 3n05 s PRO 359 CO -0.13 -0.05 0.00 -1.13 -0.33 0.00 0.00 177.00 175.36 3n05 n SER 360 N -0.82 0.74 -0.27 2.53 3.41 -1.26 -1.48 113.62 116.46 3n05 n SER 360 Ca 0.06 -0.34 -0.07 0.00 -0.26 0.00 0.00 58.87 58.26 3n05 n SER 360 Cb 0.54 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.54 3n05 n SER 360 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 3n05 h LYS 361 N 0.00 1.16 -2.14 4.33 2.10 -1.96 -3.24 116.57 116.82 3n05 h LYS 361 Ca 0.00 -0.26 -0.59 0.00 -2.00 0.00 0.00 60.65 57.80 3n05 h LYS 361 Cb 0.00 -0.16 -0.41 0.00 -0.90 0.00 0.00 32.23 30.75 3n05 h LYS 361 CO 0.00 0.99 -0.73 0.66 -2.00 0.00 0.00 179.45 178.38 3n05 n TYR 362 N -4.24 2.59 -3.90 0.07 4.02 -1.26 -5.05 117.16 109.38 3n05 n TYR 362 Ca 0.06 -4.00 -0.36 0.00 -0.01 0.00 0.00 57.90 53.59 3n05 n TYR 362 Cb 0.24 -0.50 -0.11 0.00 -0.02 0.00 0.00 39.34 38.94 3n05 n TYR 362 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3n05 s SER 363 N -2.14 5.35 1.04 7.72 0.15 -1.23 -5.10 113.70 119.50 3n05 s SER 363 Ca 0.39 -0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.83 3n05 s SER 363 Cb 0.15 -1.94 0.21 0.00 -1.71 0.00 0.00 66.02 62.74 3n05 s SER 363 CO -0.04 0.06 1.08 -0.94 1.20 0.00 0.00 173.24 174.60 3n05 s SER 364 N 1.04 2.25 0.15 5.45 1.04 -1.26 -4.89 113.70 117.48 3n05 s SER 364 Ca 0.04 1.25 0.08 0.00 0.48 0.00 0.00 55.95 57.80 3n05 s SER 364 Cb -0.14 -1.94 -0.11 0.00 0.10 0.00 0.00 66.02 63.92 3n05 s SER 364 CO 0.03 -3.37 1.34 0.44 0.98 0.00 0.00 173.24 172.65 3n05 h ASP 365 N -2.06 0.00 0.52 7.02 3.32 -2.00 -3.14 116.42 120.09 3n05 h ASP 365 Ca -0.56 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.37 3n05 h ASP 365 Cb 1.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 3n05 h ASP 365 CO 0.56 0.93 -0.55 1.12 -1.72 0.00 0.00 179.24 179.58 3n05 h HIS 366 N 0.00 0.04 0.25 4.55 2.07 -1.97 0.14 115.15 120.23 3n05 h HIS 366 Ca -0.01 -0.01 0.01 0.00 -2.85 0.00 0.00 60.37 57.50 3n05 h HIS 366 Cb 1.66 -0.01 -0.03 0.00 2.57 0.00 0.00 27.41 31.60 3n05 h HIS 366 CO 0.00 0.58 -0.37 0.77 -3.07 0.00 0.00 177.93 175.84 3n05 h SER 367 N 0.02 -1.04 -0.28 3.10 0.02 -1.77 0.34 113.55 113.93 3n05 h SER 367 Ca -0.00 0.10 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 3n05 h SER 367 Cb 0.99 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 3n05 h SER 367 CO 0.07 -0.49 -0.05 0.11 -1.14 0.00 0.00 176.83 175.34 3n05 h LYS 368 N -0.69 0.53 -0.32 3.45 1.57 -1.57 -2.78 116.57 116.76 3n05 h LYS 368 Ca -0.00 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 3n05 h LYS 368 Cb 0.66 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 3n05 h LYS 368 CO -0.14 0.73 0.17 0.78 -0.57 0.00 0.00 179.45 180.42 3n05 h GLY 369 N 0.30 0.49 2.00 3.86 0.00 -0.62 -0.62 103.07 108.48 3n05 h GLY 369 Ca 0.07 -0.23 -0.13 0.00 0.00 0.00 0.00 47.33 47.04 3n05 h GLY 369 CO 0.02 0.22 -0.63 -0.55 0.00 0.00 0.00 176.54 175.60 3n05 h ASP 370 N 0.39 0.00 -0.42 0.19 3.32 -1.02 -0.22 116.42 118.67 3n05 h ASP 370 Ca 0.11 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3n05 h ASP 370 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3n05 h ASP 370 CO -0.02 0.63 0.08 0.00 -1.72 0.00 0.00 179.24 178.22 3n05 h ALA 371 N 1.37 0.55 -0.41 3.45 0.00 -1.28 -2.19 119.26 120.75 3n05 h ALA 371 Ca -0.01 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3n05 h ALA 371 Cb 1.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3n05 h ALA 371 CO 0.08 0.25 -0.13 0.00 0.00 0.00 0.00 179.25 179.46 3n05 h ALA 372 N 0.94 0.57 -0.01 0.00 0.00 -0.96 -3.05 119.26 116.75 3n05 h ALA 372 Ca 0.13 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3n05 h ALA 372 Cb 0.35 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 3n05 h ALA 372 CO 0.01 0.47 -0.37 0.93 0.00 0.00 0.00 179.25 180.28 3n05 h GLU 373 N 0.63 -0.50 -0.77 0.00 4.39 -1.01 -2.76 114.58 114.55 3n05 h GLU 373 Ca 0.10 0.03 0.18 0.00 0.34 0.00 0.00 59.36 60.01 3n05 h GLU 373 Cb 0.67 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 29.30 3n05 h GLU 373 CO 0.05 -0.33 0.12 1.25 -1.16 0.00 0.00 179.01 178.93 3n05 h LEU 374 N -0.52 -0.14 -1.08 1.33 5.85 -1.37 -2.16 115.31 117.22 3n05 h LEU 374 Ca 0.06 0.18 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3n05 h LEU 374 Cb 0.61 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 3n05 h LEU 374 CO -0.30 -0.12 0.25 0.00 -0.34 0.00 0.00 178.44 177.93 3n05 h ALA 375 N 1.69 1.27 -0.04 1.25 0.00 -1.38 -3.01 119.26 119.05 3n05 h ALA 375 Ca 0.44 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 3n05 h ALA 375 Cb 0.80 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.36 3n05 h ALA 375 CO -0.60 0.54 -0.76 0.00 0.00 0.00 0.00 179.25 178.42 3n05 h ARG 376 N 0.89 0.58 -0.88 0.00 3.08 -1.31 -0.46 114.38 116.29 3n05 h ARG 376 Ca 0.21 -0.58 -0.03 0.00 0.07 0.00 0.00 59.98 59.66 3n05 h ARG 376 Cb 0.17 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 3n05 h ARG 376 CO -0.02 1.19 0.03 2.89 -1.07 0.00 0.00 179.97 183.00 3n05 n ARG 377 N -4.06 2.17 0.03 0.04 1.85 -1.03 -3.94 116.66 111.72 3n05 n ARG 377 Ca -0.10 -1.04 0.00 0.00 -1.00 0.00 0.00 57.85 55.71 3n05 n ARG 377 Cb 0.74 -1.70 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 3n05 n ARG 377 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3n05 n THR 378 N 0.17 0.08 0.00 8.89 -1.04 -1.14 -4.44 114.28 116.80 3n05 n THR 378 Ca 0.11 0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3n05 n THR 378 Cb 0.61 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 68.34 3n05 n THR 378 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3n05 n GLY 379 N 1.96 1.07 3.86 3.41 0.00 -0.19 -4.82 105.19 110.49 3n05 n GLY 379 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3n05 n GLY 379 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3n05 s LEU 380 N 0.00 3.32 -0.45 0.99 0.05 -1.14 -4.29 118.68 117.15 3n05 s LEU 380 Ca 0.00 1.46 -0.29 0.00 0.05 0.00 0.00 54.13 55.35 3n05 s LEU 380 Cb 0.00 -4.48 0.03 0.00 -2.05 0.00 0.00 46.19 39.69 3n05 s LEU 380 CO 0.00 -0.82 1.14 0.20 -0.55 0.00 0.00 176.35 176.33 3n05 s ASN 381 N -3.91 6.66 0.13 1.48 0.01 -0.64 -4.83 114.94 113.83 3n05 s ASN 381 Ca 0.56 0.56 -0.03 0.00 -0.71 0.00 0.00 52.86 53.24 3n05 s ASN 381 Cb -0.11 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.95 3n05 s ASN 381 CO 0.49 -1.21 0.33 0.12 -1.51 0.00 0.00 177.10 175.31 3n05 s PHE 382 N 4.40 3.49 0.14 2.20 5.36 -1.26 -0.37 117.98 131.93 3n05 s PHE 382 Ca 0.48 0.43 -0.23 0.00 -0.96 0.00 0.00 56.93 56.65 3n05 s PHE 382 Cb -0.08 -1.91 0.07 0.00 -0.34 0.00 0.00 43.02 40.76 3n05 s PHE 382 CO 0.30 0.47 0.58 -0.98 -1.46 0.00 0.00 175.22 174.13 3n05 s ARG 383 N -2.72 1.23 -0.13 10.12 1.70 -0.98 -4.96 118.95 123.20 3n05 s ARG 383 Ca 0.39 -0.43 -0.02 0.00 -0.47 0.00 0.00 55.73 55.20 3n05 s ARG 383 Cb -0.12 0.57 0.04 0.00 -0.57 0.00 0.00 34.95 34.87 3n05 s ARG 383 CO 0.26 -0.52 0.01 0.99 -1.08 0.00 0.00 175.30 174.96 3n05 s THR 384 N -3.50 0.52 -0.15 4.99 2.01 -1.26 -1.60 115.64 116.66 3n05 s THR 384 Ca -0.00 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.78 3n05 s THR 384 Cb -0.01 -0.82 0.00 0.00 0.01 0.00 0.00 72.50 71.69 3n05 s THR 384 CO -0.11 0.07 -0.18 0.68 -0.69 0.00 0.00 174.62 174.39 3n05 s VAL 385 N 1.89 2.40 0.39 3.82 -7.23 -0.84 -4.99 120.40 115.84 3n05 s VAL 385 Ca 0.02 -0.86 -0.25 0.00 -1.81 0.00 0.00 61.98 59.08 3n05 s VAL 385 Cb -0.14 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.72 3n05 s VAL 385 CO -0.07 0.53 1.16 -0.55 -0.31 0.00 0.00 175.10 175.86 3n05 s SER 386 N 0.82 6.59 0.00 4.85 0.15 -1.26 -3.83 113.70 121.02 3n05 s SER 386 Ca -0.06 2.33 0.23 0.00 0.70 0.00 0.00 55.95 59.15 3n05 s SER 386 Cb -0.15 -2.61 0.17 0.00 -1.71 0.00 0.00 66.02 61.72 3n05 s SER 386 CO -0.01 -0.63 1.19 2.30 1.20 0.00 0.00 173.24 177.30 3n05 n ILE 387 N 0.15 0.00 -0.18 6.45 -5.35 -0.55 -4.46 119.36 115.41 3n05 n ILE 387 Ca 0.04 -0.16 -0.04 0.00 -0.27 0.00 0.00 62.75 62.32 3n05 n ILE 387 Cb 0.46 0.92 0.13 0.00 -1.74 0.00 0.00 39.64 39.42 3n05 n ILE 387 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3n05 h GLU 388 N 1.48 0.96 -0.87 6.28 4.81 -1.90 0.25 114.58 125.59 3n05 h GLU 388 Ca 0.00 -0.21 0.11 0.00 -0.13 0.00 0.00 59.36 59.14 3n05 h GLU 388 Cb 0.63 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 3n05 h GLU 388 CO 0.00 0.85 0.56 -1.00 -0.73 0.00 0.00 179.01 178.69 3n05 h PRO 389 N 0.92 0.77 0.00 0.92 0.13 -1.95 -2.26 132.00 130.52 3n05 h PRO 389 Ca 0.20 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3n05 h PRO 389 Cb 0.31 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.27 3n05 h PRO 389 CO -0.00 0.51 -1.03 0.00 -0.23 0.00 0.00 178.00 177.25 3n05 n MET 390 N -4.54 0.42 -0.12 0.86 0.00 -0.93 -3.61 117.12 109.21 3n05 n MET 390 Ca 0.16 0.04 -0.12 0.00 0.00 0.00 0.00 57.70 57.77 3n05 n MET 390 Cb 0.36 -1.68 -0.00 0.00 0.00 0.00 0.00 33.22 31.90 3n05 n MET 390 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 175.97 176.32 3n05 h PHE 391 N 0.00 1.09 -0.06 3.17 3.57 -0.31 -3.10 116.94 121.30 3n05 h PHE 391 Ca 0.00 -0.31 -0.13 0.00 3.53 0.00 0.00 57.97 61.05 3n05 h PHE 391 Cb 0.84 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3n05 h PHE 391 CO 0.00 1.13 -0.57 -0.44 -2.23 0.00 0.00 178.31 176.20 3n05 h ASP 392 N 0.76 0.21 -0.08 0.41 5.19 -1.54 -2.51 116.42 118.86 3n05 h ASP 392 Ca 0.07 -0.11 -0.10 0.00 -0.62 0.00 0.00 57.03 56.26 3n05 h ASP 392 Cb 0.94 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 3n05 h ASP 392 CO 0.09 0.73 -0.26 0.00 -3.12 0.00 0.00 179.24 176.68 3n05 h ALA 393 N 1.27 1.05 0.12 3.45 0.00 -1.62 -1.94 119.26 121.59 3n05 h ALA 393 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3n05 h ALA 393 Cb 1.04 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3n05 h ALA 393 CO 0.08 0.58 -0.06 1.88 0.00 0.00 0.00 179.25 181.73 3n05 h TYR 394 N 0.46 -0.15 0.00 0.00 -1.99 -1.46 -3.27 116.97 110.56 3n05 h TYR 394 Ca 0.06 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.79 3n05 h TYR 394 Cb 0.70 0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.48 3n05 h TYR 394 CO 0.02 0.31 0.00 0.52 -0.00 0.00 0.00 178.16 179.01 3n05 h MET 395 N -0.69 0.00 -0.55 4.88 2.86 -1.48 0.08 114.93 120.03 3n05 h MET 395 Ca -0.02 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 3n05 h MET 395 Cb 0.52 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 3n05 h MET 395 CO 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 176.91 177.98 3n05 h ALA 396 N 2.04 0.94 -0.01 6.32 0.00 -1.40 -2.84 119.26 124.31 3n05 h ALA 396 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3n05 h ALA 396 Cb 0.26 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3n05 h ALA 396 CO 0.00 0.64 -0.12 -1.13 0.00 0.00 0.00 179.25 178.64 3n05 n SER 397 N -4.19 1.22 -0.03 0.00 3.41 -0.80 -4.76 113.62 108.48 3n05 n SER 397 Ca 0.03 -1.11 -0.06 0.00 -0.26 0.00 0.00 58.87 57.47 3n05 n SER 397 Cb 0.34 0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.61 3n05 n SER 397 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3n05 n LEU 398 N -0.11 0.74 -2.86 1.04 4.32 -0.05 -5.09 117.00 115.00 3n05 n LEU 398 Ca 0.04 0.06 -0.04 0.00 -0.02 0.00 0.00 56.01 56.04 3n05 n LEU 398 Cb 0.17 -0.17 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 3n05 n LEU 398 CO 0.08 0.18 0.21 0.61 -1.22 0.00 0.00 177.39 177.25 3n05 n GLY 399 N 2.72 -1.00 3.80 -0.72 0.00 -1.07 -4.99 105.19 103.93 3n05 n GLY 399 Ca -0.11 0.39 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 3n05 n GLY 399 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n05 s LEU 400 N -4.10 4.49 0.00 0.99 1.43 -1.26 -5.08 118.68 115.15 3n05 s LEU 400 Ca 0.12 1.18 -0.04 0.00 -1.03 0.00 0.00 54.13 54.36 3n05 s LEU 400 Cb -0.02 -2.84 0.14 0.00 0.03 0.00 0.00 46.19 43.50 3n05 s LEU 400 CO 0.62 0.24 0.89 0.35 0.23 0.00 0.00 176.35 178.68 3n05 n THR 401 N 2.00 0.00 -0.22 5.49 -2.24 -1.26 -4.52 114.28 113.52 3n05 n THR 401 Ca -0.10 -1.15 0.02 0.00 -2.27 0.00 0.00 64.05 60.55 3n05 n THR 401 Cb 0.51 -1.16 0.06 0.00 -2.10 0.00 0.00 70.33 67.64 3n05 n THR 401 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n05 n GLY 402 N -1.47 -1.12 0.40 3.38 0.00 -1.26 -1.63 105.19 103.49 3n05 n GLY 402 Ca 0.13 0.66 -0.15 0.00 0.00 0.00 0.00 46.02 46.67 3n05 n GLY 402 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3n05 h LEU 403 N 0.00 -1.10 -0.08 0.99 4.07 -2.01 -3.03 115.31 114.13 3n05 h LEU 403 Ca 0.26 0.09 -0.25 0.00 0.08 0.00 0.00 57.88 58.06 3n05 h LEU 403 Cb 0.41 0.36 0.01 0.00 1.08 0.00 0.00 40.66 42.52 3n05 h LEU 403 CO -0.61 -0.55 -1.01 0.00 -1.08 0.00 0.00 178.44 175.19 3n05 h ALA 404 N -1.11 0.25 0.00 1.53 0.00 -1.78 -3.28 119.26 114.87 3n05 h ALA 404 Ca -0.06 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.10 3n05 h ALA 404 Cb 0.71 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3n05 h ALA 404 CO -0.03 0.77 -0.17 1.05 0.00 0.00 0.00 179.25 180.87 3n05 h GLU 405 N 0.28 0.00 -0.09 0.00 4.11 -1.38 0.66 114.58 118.15 3n05 h GLU 405 Ca -0.11 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.16 3n05 h GLU 405 Cb 1.66 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.92 3n05 h GLU 405 CO 0.18 0.17 -0.59 0.93 0.07 0.00 0.00 179.01 179.77 3n05 h GLU 406 N 0.00 0.56 -0.22 1.06 5.08 -1.63 -3.32 114.58 116.11 3n05 h GLU 406 Ca -0.00 -0.48 -0.10 0.00 -1.00 0.00 0.00 59.36 57.78 3n05 h GLU 406 Cb 0.71 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 3n05 h GLU 406 CO 0.02 1.11 -0.27 -0.91 -1.00 0.00 0.00 179.01 177.96 3n05 h ASN 407 N 0.17 0.43 -0.76 1.42 2.35 -1.49 -3.08 115.58 114.63 3n05 h ASN 407 Ca -0.05 -0.15 0.14 0.00 -0.55 0.00 0.00 56.30 55.70 3n05 h ASN 407 Cb 1.25 -0.12 -0.09 0.00 0.05 0.00 0.00 38.32 39.40 3n05 h ASN 407 CO 0.12 0.70 0.31 0.25 -1.65 0.00 0.00 177.43 177.15 3n05 h LEU 408 N 0.38 0.29 -1.05 1.61 5.85 -0.98 -1.50 115.31 119.92 3n05 h LEU 408 Ca 0.05 0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.95 3n05 h LEU 408 Cb 0.68 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.72 3n05 h LEU 408 CO 0.05 0.11 0.63 1.56 -0.34 0.00 0.00 178.44 180.45 3n05 h GLN 409 N 0.45 1.08 -0.39 1.25 4.20 -1.63 -0.08 115.11 119.99 3n05 h GLN 409 Ca 0.42 -0.07 -0.15 0.00 0.06 0.00 0.00 58.65 58.91 3n05 h GLN 409 Cb 0.63 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3n05 h GLN 409 CO -0.40 0.72 -0.34 1.03 -0.67 0.00 0.00 178.83 179.17 3n05 h SER 410 N 1.11 0.97 -0.03 1.46 0.87 -1.40 -2.80 113.55 113.72 3n05 h SER 410 Ca 0.43 -0.45 -0.12 0.00 -1.23 0.00 0.00 61.79 60.42 3n05 h SER 410 Cb 0.22 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3n05 h SER 410 CO -0.18 1.22 -0.36 0.03 -0.53 0.00 0.00 176.83 177.01 3n05 h ARG 411 N 0.73 0.53 -0.55 2.24 3.08 -1.01 -2.48 114.38 116.91 3n05 h ARG 411 Ca 0.07 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 3n05 h ARG 411 Cb 0.93 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.94 3n05 h ARG 411 CO 0.09 0.81 0.33 -0.07 -1.07 0.00 0.00 179.97 180.06 3n05 h LEU 412 N 0.44 0.67 -1.05 3.04 3.38 -0.99 -1.33 115.31 119.47 3n05 h LEU 412 Ca 0.05 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 3n05 h LEU 412 Cb 0.83 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 3n05 h LEU 412 CO 0.07 0.53 0.09 0.03 0.09 0.00 0.00 178.44 179.25 3n05 h ARG 413 N 0.74 0.77 -0.20 1.13 3.08 -1.43 -2.41 114.38 116.05 3n05 h ARG 413 Ca 0.20 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 3n05 h ARG 413 Cb -0.01 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 3n05 h ARG 413 CO -0.04 0.72 0.01 0.78 -1.07 0.00 0.00 179.97 180.38 3n05 h GLY 414 N 0.94 0.38 0.65 0.04 0.00 -1.02 -1.78 103.07 102.29 3n05 h GLY 414 Ca 0.16 -0.27 0.06 0.00 0.00 0.00 0.00 47.33 47.28 3n05 h GLY 414 CO 0.00 0.25 0.32 -0.84 0.00 0.00 0.00 176.54 176.27 3n05 h THR 415 N 0.13 0.94 0.23 4.70 2.02 -1.20 -0.79 112.91 118.93 3n05 h THR 415 Ca 0.06 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.04 3n05 h THR 415 Cb 0.37 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3n05 h THR 415 CO 0.01 0.11 -0.21 0.74 0.37 0.00 0.00 175.52 176.54 3n05 h THR 416 N 0.59 0.55 -0.51 3.16 2.02 -1.35 -0.66 112.91 116.71 3n05 h THR 416 Ca 0.28 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.50 3n05 h THR 416 Cb 0.20 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 3n05 h THR 416 CO -0.19 0.00 0.27 -0.07 0.37 0.00 0.00 175.52 175.89 3n05 h LEU 417 N -0.46 0.39 -0.76 2.58 3.38 -0.99 -1.62 115.31 117.83 3n05 h LEU 417 Ca -0.01 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3n05 h LEU 417 Cb 0.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3n05 h LEU 417 CO -0.03 0.27 -0.26 -0.03 0.09 0.00 0.00 178.44 178.48 3n05 h MET 418 N 0.52 0.66 -0.11 1.13 4.05 -1.04 -1.90 114.93 118.23 3n05 h MET 418 Ca 0.22 -0.27 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 3n05 h MET 418 Cb 0.12 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.89 3n05 h MET 418 CO -0.15 0.85 0.02 0.00 0.23 0.00 0.00 176.91 177.87 3n05 h ALA 419 N 1.14 0.15 -0.72 0.39 0.00 -0.69 0.13 119.26 119.66 3n05 h ALA 419 Ca 0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3n05 h ALA 419 Cb 0.74 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3n05 h ALA 419 CO 0.06 -0.21 0.42 0.82 0.00 0.00 0.00 179.25 180.33 3n05 h ILE 420 N -0.03 1.21 -0.35 0.00 2.04 -1.26 0.11 117.51 119.23 3n05 h ILE 420 Ca 0.03 -0.50 -0.13 0.00 1.00 0.00 0.00 64.86 65.27 3n05 h ILE 420 Cb 0.26 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3n05 h ILE 420 CO 0.00 0.23 -0.29 0.77 0.00 0.00 0.00 178.15 178.86 3n05 h SER 421 N 0.99 0.77 -0.65 1.72 4.64 -1.25 0.27 113.55 120.04 3n05 h SER 421 Ca 0.26 -0.31 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3n05 h SER 421 Cb -0.00 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 3n05 h SER 421 CO -0.05 1.02 0.40 0.78 -0.87 0.00 0.00 176.83 178.11 3n05 h ASN 422 N 0.64 0.78 -0.00 4.97 -0.26 -0.37 0.12 115.58 121.45 3n05 h ASN 422 Ca 0.08 -0.05 -0.00 0.00 -0.56 0.00 0.00 56.30 55.76 3n05 h ASN 422 Cb 0.81 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.88 3n05 h ASN 422 CO 0.07 0.60 0.00 1.56 -1.06 0.00 0.00 177.43 178.60 3n05 h GLN 423 N 0.89 0.01 0.00 0.81 1.08 -0.48 -3.39 115.11 114.03 3n05 h GLN 423 Ca 0.24 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3n05 h GLN 423 Cb -0.04 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3n05 h GLN 423 CO -0.05 0.21 -1.33 0.39 -0.95 0.00 0.00 178.83 177.11 3n05 n GLU 424 N -4.99 0.94 -0.68 1.46 1.02 0.91 -5.01 120.64 114.30 3n05 n GLU 424 Ca -0.08 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 3n05 n GLU 424 Cb 0.12 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 3n05 n GLU 424 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n05 n GLY 425 N 1.46 0.98 3.93 0.62 0.00 0.40 -5.04 105.19 107.53 3n05 n GLY 425 Ca -0.00 -0.46 -0.25 0.00 0.00 0.00 0.00 46.02 45.31 3n05 n GLY 425 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3n05 s HIS 426 N -2.00 3.40 -0.26 1.61 3.76 -1.21 -4.61 115.29 115.98 3n05 s HIS 426 Ca 0.00 0.53 -0.13 0.00 -0.15 0.00 0.00 55.06 55.31 3n05 s HIS 426 Cb 0.00 -2.31 -0.04 0.00 1.11 0.00 0.00 32.58 31.33 3n05 s HIS 426 CO 0.00 -0.33 0.27 0.42 -0.85 0.00 0.00 174.74 174.25 3n05 s ILE 427 N -2.66 5.26 0.28 0.60 1.01 -0.86 -4.74 121.20 120.09 3n05 s ILE 427 Ca 0.47 0.37 -0.29 0.00 0.00 0.00 0.00 60.65 61.20 3n05 s ILE 427 Cb -0.10 -3.61 -0.10 0.00 0.01 0.00 0.00 42.46 38.66 3n05 s ILE 427 CO 0.41 0.23 1.35 -0.69 0.00 0.00 0.00 174.94 176.24 3n05 s VAL 428 N 1.73 2.81 -0.16 2.92 1.01 -1.26 -0.78 120.40 126.67 3n05 s VAL 428 Ca 0.11 0.73 -0.04 0.00 0.00 0.00 0.00 61.98 62.79 3n05 s VAL 428 Cb -0.15 -3.47 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 3n05 s VAL 428 CO 0.09 0.14 -0.04 -0.76 0.00 0.00 0.00 175.10 174.54 3n05 s LEU 429 N -0.97 3.21 -0.05 3.92 1.43 -0.61 -1.38 118.68 124.23 3n05 s LEU 429 Ca 0.54 -0.16 -0.26 0.00 -1.03 0.00 0.00 54.13 53.22 3n05 s LEU 429 Cb -0.40 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 3n05 s LEU 429 CO 0.47 0.14 0.81 0.00 0.23 0.00 0.00 176.35 178.00 3n05 s ALA 430 N 0.52 3.28 -1.89 4.21 0.00 0.19 -4.67 121.76 123.40 3n05 s ALA 430 Ca -0.03 0.28 0.16 0.00 0.00 0.00 0.00 51.96 52.37 3n05 s ALA 430 Cb -0.14 -3.11 0.49 0.00 0.00 0.00 0.00 23.12 20.36 3n05 s ALA 430 CO 0.03 -0.18 1.41 -0.35 0.00 0.00 0.00 175.76 176.66 3n05 n PRO 431 N 3.91 2.39 -2.63 0.00 -0.04 -1.26 -3.90 135.00 133.46 3n05 n PRO 431 Ca 0.02 -2.01 -0.36 0.00 -0.04 0.00 0.00 63.50 61.11 3n05 n PRO 431 Cb 0.51 -1.47 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 3n05 n PRO 431 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3n05 s GLY 432 N -0.97 2.72 0.38 0.55 0.00 -1.26 -4.70 107.32 104.04 3n05 s GLY 432 Ca 0.37 0.63 0.08 0.00 0.00 0.00 0.00 44.72 45.79 3n05 s GLY 432 CO 0.24 1.05 0.34 0.54 0.00 0.00 0.00 173.10 175.27 3n05 s ASN 433 N -1.63 5.15 0.30 1.64 2.20 -1.26 -3.25 114.94 118.08 3n05 s ASN 433 Ca 0.56 -0.64 0.02 0.00 -0.94 0.00 0.00 52.86 51.86 3n05 s ASN 433 Cb -0.20 -0.74 0.57 0.00 -2.00 0.00 0.00 41.25 38.89 3n05 s ASN 433 CO 0.25 -0.53 1.88 0.50 -2.94 0.00 0.00 177.10 176.26 3n05 h LYS 434 N 1.12 0.95 -0.41 3.55 3.64 -0.78 -0.17 116.57 124.47 3n05 h LYS 434 Ca -0.43 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 3n05 h LYS 434 Cb 1.26 -0.22 -0.02 0.00 -0.41 0.00 0.00 32.23 32.85 3n05 h LYS 434 CO 0.58 0.63 0.09 0.77 -2.27 0.00 0.00 179.45 179.25 3n05 h SER 435 N 0.98 0.64 -0.43 4.20 0.02 -1.88 -0.76 113.55 116.32 3n05 h SER 435 Ca 0.43 -0.24 -0.08 0.00 -0.84 0.00 0.00 61.79 61.06 3n05 h SER 435 Cb 0.36 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3n05 h SER 435 CO -0.19 0.72 -0.04 -0.33 -1.14 0.00 0.00 176.83 175.85 3n05 h GLU 436 N 0.53 0.79 -0.27 3.45 5.08 -1.82 -3.02 114.58 119.31 3n05 h GLU 436 Ca 0.13 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 3n05 h GLU 436 Cb 0.34 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3n05 h GLU 436 CO 0.00 0.88 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.59 3n05 h LEU 437 N 0.63 0.51 -0.58 1.33 4.07 -0.94 0.18 115.31 120.50 3n05 h LEU 437 Ca 0.12 -0.17 -0.10 0.00 0.08 0.00 0.00 57.88 57.81 3n05 h LEU 437 Cb 0.54 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.12 3n05 h LEU 437 CO 0.03 0.74 -0.03 0.00 -1.08 0.00 0.00 178.44 178.10 3n05 h ALA 438 N 1.30 0.79 0.08 1.53 0.00 -1.17 -3.29 119.26 118.50 3n05 h ALA 438 Ca 0.07 -0.32 -0.29 0.00 0.00 0.00 0.00 54.91 54.36 3n05 h ALA 438 Cb 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3n05 h ALA 438 CO 0.05 0.65 -1.54 0.28 0.00 0.00 0.00 179.25 178.69 3n05 h VAL 439 N 0.94 1.11 -0.07 0.00 2.07 -1.39 -3.34 116.25 115.58 3n05 h VAL 439 Ca 0.16 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.86 3n05 h VAL 439 Cb 0.60 2.67 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 3n05 h VAL 439 CO 0.04 0.77 0.00 0.61 0.02 0.00 0.00 177.57 179.01 3n05 n GLY 440 N 1.63 1.19 4.00 2.17 0.00 0.53 -4.57 105.19 110.14 3n05 n GLY 440 Ca -0.16 -0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.63 3n05 n GLY 440 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n05 s TYR 441 N -2.07 2.77 0.01 1.61 4.12 -0.69 -5.04 117.35 118.07 3n05 s TYR 441 Ca 0.00 -0.41 -0.28 0.00 0.02 0.00 0.00 57.07 56.40 3n05 s TYR 441 Cb 0.00 -2.36 0.09 0.00 -1.52 0.00 0.00 41.96 38.17 3n05 s TYR 441 CO 0.00 -0.42 1.25 -1.54 0.02 0.00 0.00 175.55 174.86 3n05 s SER 442 N -4.34 0.00 0.16 2.29 1.04 -1.26 -4.72 113.70 106.86 3n05 s SER 442 Ca 0.55 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.71 3n05 s SER 442 Cb -0.09 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.22 3n05 s SER 442 CO 0.33 -0.39 0.00 -0.24 0.98 0.00 0.00 173.24 173.92 3n05 n SER 448 N -1.05 -1.42 -4.33 7.02 2.88 -1.26 -5.07 113.62 110.39 3n05 n SER 448 Ca 0.02 0.57 -0.20 0.00 -1.33 0.00 0.00 58.87 57.93 3n05 n SER 448 Cb 0.59 1.61 -0.11 0.00 -0.75 0.00 0.00 64.21 65.55 3n05 n SER 448 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 3n05 s VAL 449 N -2.00 1.76 -5.00 2.46 1.01 -1.26 -4.91 120.40 112.46 3n05 s VAL 449 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 61.98 59.94 3n05 s VAL 449 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.46 3n05 s VAL 449 CO 0.00 -0.45 0.00 0.61 0.00 0.00 0.00 175.10 175.26 3n05 n GLY 450 N -0.01 -2.01 0.11 4.51 0.00 -1.26 -4.45 105.19 102.08 3n05 n GLY 450 Ca -0.11 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.43 3n05 n GLY 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n05 n ALA 451 N -0.09 1.41 -2.91 4.61 0.00 -0.48 -4.63 120.51 118.42 3n05 n ALA 451 Ca 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 53.44 52.25 3n05 n ALA 451 Cb 0.00 -0.36 -0.12 0.00 0.00 0.00 0.00 19.45 18.97 3n05 n ALA 451 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3n05 s TYR 452 N -2.53 0.24 -0.42 0.00 5.04 -1.23 -3.92 117.35 114.54 3n05 s TYR 452 Ca -0.16 -0.30 0.04 0.00 -2.44 0.00 0.00 57.07 54.20 3n05 s TYR 452 Cb 0.07 -0.16 0.11 0.00 0.35 0.00 0.00 41.96 42.34 3n05 s TYR 452 CO 0.77 -0.09 0.15 0.20 -1.34 0.00 0.00 175.55 175.23 3n05 s GLY 453 N -0.84 2.10 0.52 8.97 0.00 0.11 0.55 107.32 118.73 3n05 s GLY 453 Ca -0.08 -2.81 0.25 0.00 0.00 0.00 0.00 44.72 42.09 3n05 s GLY 453 CO -0.00 1.02 2.08 -2.55 0.00 0.00 0.00 173.10 173.65 3n05 h PRO 454 N 7.13 0.00 0.00 2.90 0.11 -1.86 -3.00 132.00 137.28 3n05 h PRO 454 Ca -0.06 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.05 3n05 h PRO 454 Cb 0.96 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3n05 h PRO 454 CO 0.59 0.12 -0.10 0.44 -0.21 0.00 0.00 178.00 178.83 3n05 n ILE 455 N -3.78 1.86 0.33 4.15 -5.35 -1.26 -4.50 119.36 110.81 3n05 n ILE 455 Ca -0.02 -2.33 0.15 0.00 -0.27 0.00 0.00 62.75 60.28 3n05 n ILE 455 Cb 0.22 -0.20 0.55 0.00 -1.74 0.00 0.00 39.64 38.47 3n05 n ILE 455 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3n05 h LYS 456 N 0.16 0.00 -0.61 6.28 2.10 -1.50 -2.17 116.57 120.83 3n05 h LYS 456 Ca -0.00 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 58.32 3n05 h LYS 456 Cb 1.02 0.00 -0.19 0.00 -0.90 0.00 0.00 32.23 32.16 3n05 h LYS 456 CO 0.00 0.00 0.20 -3.47 -2.00 0.00 0.00 179.45 174.18 3n05 n ASP 457 N -2.80 3.07 -4.03 7.07 2.03 -1.26 -2.79 116.55 117.86 3n05 n ASP 457 Ca 0.02 -3.73 -0.29 0.00 0.52 0.00 0.00 54.79 51.31 3n05 n ASP 457 Cb 0.32 -0.72 -0.17 0.00 -0.72 0.00 0.00 41.12 39.84 3n05 n ASP 457 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3n05 s VAL 458 N -3.33 1.46 0.71 5.18 1.01 -0.82 -4.60 120.40 120.02 3n05 s VAL 458 Ca 0.50 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.74 3n05 s VAL 458 Cb 0.44 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 35.49 3n05 s VAL 458 CO 0.04 0.44 1.14 -0.31 0.00 0.00 0.00 175.10 176.40 3n05 s TYR 459 N 1.20 2.38 0.26 5.22 4.12 -1.26 -0.78 117.35 128.49 3n05 s TYR 459 Ca -0.02 1.59 -0.05 0.00 0.02 0.00 0.00 57.07 58.60 3n05 s TYR 459 Cb -0.14 -3.25 0.30 0.00 -1.52 0.00 0.00 41.96 37.35 3n05 s TYR 459 CO -0.05 -2.05 1.93 -0.22 0.02 0.00 0.00 175.55 175.19 3n05 h LYS 460 N -0.37 1.26 -0.86 -0.62 1.63 -1.94 0.15 116.57 115.83 3n05 h LYS 460 Ca -0.46 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.28 3n05 h LYS 460 Cb 1.26 -0.28 -0.05 0.00 -0.60 0.00 0.00 32.23 32.56 3n05 h LYS 460 CO 0.51 0.84 0.57 1.15 -3.45 0.00 0.00 179.45 179.07 3n05 h THR 461 N 1.29 1.18 0.00 1.00 2.02 -1.92 -1.15 112.91 115.34 3n05 h THR 461 Ca 0.35 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 3n05 h THR 461 Cb -0.13 -0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 66.24 3n05 h THR 461 CO -0.07 0.20 -0.06 0.28 0.37 0.00 0.00 175.52 176.24 3n05 h SER 462 N 1.12 0.00 -0.44 4.18 0.02 -1.65 -3.09 113.55 113.68 3n05 h SER 462 Ca 0.33 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 61.23 3n05 h SER 462 Cb -0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3n05 h SER 462 CO -0.08 0.06 0.08 0.40 -1.14 0.00 0.00 176.83 176.15 3n05 h ILE 463 N 0.00 1.24 -0.31 3.27 5.03 0.29 -1.36 117.51 125.67 3n05 h ILE 463 Ca -0.00 -0.87 -0.05 0.00 -0.12 0.00 0.00 64.86 63.82 3n05 h ILE 463 Cb 0.97 0.96 -0.01 0.00 -3.03 0.00 0.00 36.82 35.70 3n05 h ILE 463 CO 0.01 0.30 -0.01 -0.26 -0.68 0.00 0.00 178.15 177.51 3n05 h PHE 464 N 0.59 0.60 -0.82 1.37 -1.00 -1.53 -1.41 116.94 114.74 3n05 h PHE 464 Ca 0.13 -0.11 0.03 0.00 2.81 0.00 0.00 57.97 60.84 3n05 h PHE 464 Cb 0.36 -0.15 -0.05 0.00 3.61 0.00 0.00 35.95 39.72 3n05 h PHE 464 CO 0.02 0.69 0.53 -0.09 -1.61 0.00 0.00 178.31 177.85 3n05 h ARG 465 N 0.34 1.01 -0.22 1.51 2.43 -1.46 -0.04 114.38 117.94 3n05 h ARG 465 Ca 0.09 -0.06 -0.17 0.00 -0.81 0.00 0.00 59.98 59.02 3n05 h ARG 465 Cb 0.46 -0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3n05 h ARG 465 CO 0.02 0.66 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.51 3n05 h LEU 466 N 1.04 0.78 0.06 3.80 3.38 -1.20 -2.52 115.31 120.63 3n05 h LEU 466 Ca 0.33 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 3n05 h LEU 466 Cb -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.52 3n05 h LEU 466 CO -0.11 1.18 -0.03 0.00 0.09 0.00 0.00 178.44 179.57 3n05 h ALA 467 N 0.84 -0.07 -0.39 1.53 0.00 -0.68 -2.46 119.26 118.03 3n05 h ALA 467 Ca 0.01 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3n05 h ALA 467 Cb 1.14 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3n05 h ALA 467 CO 0.11 -0.48 0.07 0.93 0.00 0.00 0.00 179.25 179.89 3n05 h GLU 468 N -0.19 0.58 -0.57 0.00 5.08 -1.10 -2.34 114.58 116.03 3n05 h GLU 468 Ca -0.01 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3n05 h GLU 468 Cb 0.17 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3n05 h GLU 468 CO 0.01 0.55 0.25 2.35 -1.00 0.00 0.00 179.01 181.17 3n05 h TRP 469 N 0.57 0.80 -0.11 4.33 7.01 -1.30 -2.39 115.95 124.85 3n05 h TRP 469 Ca 0.13 -0.03 -0.20 0.00 2.11 0.00 0.00 58.89 60.90 3n05 h TRP 469 Cb 0.25 -0.25 0.00 0.00 -2.10 0.00 0.00 29.16 27.06 3n05 h TRP 469 CO 0.01 0.61 -0.74 -0.09 -2.79 0.00 0.00 178.44 175.44 3n05 h ARG 470 N 0.80 0.55 -0.33 2.65 1.12 -0.94 0.10 114.38 118.33 3n05 h ARG 470 Ca 0.20 -0.45 -0.02 0.00 -1.11 0.00 0.00 59.98 58.60 3n05 h ARG 470 Cb 0.12 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.16 3n05 h ARG 470 CO -0.02 1.07 0.13 -0.91 -3.11 0.00 0.00 179.97 177.13 3n05 h ASN 471 N 0.38 0.47 0.03 -3.80 2.35 -1.54 -1.69 115.58 111.77 3n05 h ASN 471 Ca -0.04 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3n05 h ASN 471 Cb 1.33 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 3n05 h ASN 471 CO 0.14 0.51 -0.02 -0.09 -1.65 0.00 0.00 177.43 176.32 3n05 h ARG 472 N 0.39 0.00 -0.03 0.81 2.43 -1.23 -1.37 114.38 115.38 3n05 h ARG 472 Ca 0.11 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.12 3n05 h ARG 472 Cb 0.20 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3n05 h ARG 472 CO -0.01 0.02 -0.60 0.00 -1.51 0.00 0.00 179.97 177.87 3n05 h ALA 473 N 1.98 0.12 -0.05 2.80 0.00 -0.52 -2.90 119.26 120.70 3n05 h ALA 473 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3n05 h ALA 473 Cb 0.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3n05 h ALA 473 CO 0.00 0.39 0.03 0.00 0.00 0.00 0.00 179.25 179.67 3n05 h ALA 474 N 0.37 0.06 0.00 0.00 0.00 -0.81 -2.77 119.26 116.11 3n05 h ALA 474 Ca -0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3n05 h ALA 474 Cb 1.29 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 3n05 h ALA 474 CO 0.12 -0.44 -0.08 0.00 0.00 0.00 0.00 179.25 178.84 3n05 h ALA 475 N 1.01 1.17 -0.00 0.00 0.00 -1.30 0.21 119.26 120.35 3n05 h ALA 475 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3n05 h ALA 475 Cb -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3n05 h ALA 475 CO -0.00 0.11 -0.00 0.39 0.00 0.00 0.00 179.25 179.74 3n05 n GLU 476 N -3.44 0.87 -0.21 0.00 1.02 -1.05 -3.36 120.64 114.47 3n05 n GLU 476 Ca -0.01 -0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.13 3n05 n GLU 476 Cb 0.23 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 3n05 n GLU 476 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 3n05 n ARG 477 N -1.06 0.35 -2.62 3.49 1.85 -0.87 -5.02 116.66 112.78 3n05 n ARG 477 Ca 0.22 -0.96 -0.08 0.00 -1.00 0.00 0.00 57.85 56.03 3n05 n ARG 477 Cb 0.14 -0.62 0.02 0.00 -1.05 0.00 0.00 32.46 30.94 3n05 n ARG 477 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3n05 n GLY 478 N -0.16 0.33 3.60 2.89 0.00 -0.83 -5.05 105.19 105.97 3n05 n GLY 478 Ca 0.01 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.33 3n05 n GLY 478 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3n05 s GLN 479 N -5.07 2.17 -0.07 1.61 -0.21 0.67 -5.00 119.66 113.76 3n05 s GLN 479 Ca 0.13 -1.30 -0.30 0.00 0.02 0.00 0.00 55.36 53.91 3n05 s GLN 479 Cb -0.06 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.73 3n05 s GLN 479 CO 0.16 0.42 1.42 -0.08 -2.12 0.00 0.00 175.29 175.09 3n05 s THR 480 N -1.90 3.87 -0.24 -0.19 -1.32 -1.26 -3.51 115.64 111.09 3n05 s THR 480 Ca 0.27 1.14 -0.31 0.00 -1.21 0.00 0.00 61.69 61.58 3n05 s THR 480 Cb -0.08 -3.74 -0.08 0.00 -1.51 0.00 0.00 72.50 67.09 3n05 s THR 480 CO 0.17 -0.06 2.17 -0.81 -2.21 0.00 0.00 174.62 173.88 3n05 n PRO 481 N 6.23 1.71 0.02 7.08 -0.04 -1.26 -4.89 135.00 143.84 3n05 n PRO 481 Ca 0.14 0.50 -0.08 0.00 -0.04 0.00 0.00 63.50 64.02 3n05 n PRO 481 Cb 0.44 -2.90 0.09 0.00 -0.04 0.00 0.00 33.50 31.08 3n05 n PRO 481 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 3n05 h PRO 482 N 13.39 0.50 -5.39 0.54 0.11 -1.86 -3.41 132.00 135.87 3n05 h PRO 482 Ca -0.37 -0.30 -0.61 0.00 0.11 0.00 0.00 66.00 64.83 3n05 h PRO 482 Cb 1.27 0.03 -0.12 0.00 0.11 0.00 0.00 31.00 32.28 3n05 h PRO 482 CO 0.98 0.89 0.01 0.42 -0.21 0.00 0.00 178.00 180.09 3n05 s ILE 483 N -4.03 5.06 0.33 4.15 1.01 -1.26 -4.75 121.20 121.71 3n05 s ILE 483 Ca -0.07 0.92 -0.28 0.00 0.00 0.00 0.00 60.65 61.23 3n05 s ILE 483 Cb 0.12 -3.84 -0.13 0.00 0.01 0.00 0.00 42.46 38.62 3n05 s ILE 483 CO 0.83 0.09 1.16 -2.65 0.00 0.00 0.00 174.94 174.36 3n05 n PRO 484 N 5.50 1.76 0.10 2.79 -0.02 -1.26 -4.91 135.00 138.95 3n05 n PRO 484 Ca -0.04 0.62 -0.04 0.00 -2.02 0.00 0.00 63.50 62.02 3n05 n PRO 484 Cb 0.50 -2.12 0.12 0.00 -0.02 0.00 0.00 33.50 31.98 3n05 n PRO 484 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3n05 h GLU 485 N 2.22 0.18 0.00 -0.52 4.39 -1.96 -2.52 114.58 116.38 3n05 h GLU 485 Ca -0.44 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.04 3n05 h GLU 485 Cb 1.31 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.97 3n05 h GLU 485 CO 0.61 0.75 -0.44 0.00 -1.16 0.00 0.00 179.01 178.76 3n05 h ALA 486 N 1.22 1.03 -0.63 3.43 0.00 -1.94 -2.20 119.26 120.17 3n05 h ALA 486 Ca -0.01 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.42 3n05 h ALA 486 Cb 1.13 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3n05 h ALA 486 CO 0.09 0.55 0.07 0.77 0.00 0.00 0.00 179.25 180.74 3n05 h SER 487 N 0.00 1.03 -0.26 0.00 0.02 -1.71 -2.44 113.55 110.19 3n05 h SER 487 Ca -0.00 -0.28 -0.12 0.00 -0.84 0.00 0.00 61.79 60.55 3n05 h SER 487 Cb 0.93 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 3n05 h SER 487 CO 0.06 1.04 -0.25 0.40 -1.14 0.00 0.00 176.83 176.94 3n05 h ILE 488 N 0.97 1.27 -0.53 3.27 2.04 -1.36 -3.34 117.51 119.83 3n05 h ILE 488 Ca 0.19 -1.37 -0.18 0.00 1.00 0.00 0.00 64.86 64.50 3n05 h ILE 488 Cb 0.48 1.26 -0.11 0.00 -0.74 0.00 0.00 36.82 37.71 3n05 h ILE 488 CO 0.02 0.45 0.14 0.35 0.00 0.00 0.00 178.15 179.11 3n05 n THR 489 N -4.10 2.69 0.00 -0.27 -2.24 -0.84 -5.03 114.28 104.49 3n05 n THR 489 Ca -0.00 -2.02 0.00 0.00 -2.27 0.00 0.00 64.05 59.75 3n05 n THR 489 Cb 0.45 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3n05 n THR 489 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3n05 n LYS 490 N -0.60 0.00 0.00 -0.78 5.02 -0.93 -4.99 118.16 115.88 3n05 n LYS 490 Ca 0.35 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 3n05 n LYS 490 Cb 1.19 -0.24 0.00 0.00 -0.02 0.00 0.00 35.03 35.97 3n05 n LYS 490 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3n05 n PRO 507 N 0.00 0.00 -2.52 1.97 -0.04 -1.26 -5.16 135.00 127.99 3n05 n PRO 507 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 3n05 n PRO 507 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 3n05 n PRO 507 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3n05 s ASP 508 N 0.00 6.61 0.29 3.54 2.15 -1.26 -4.84 116.67 123.16 3n05 s ASP 508 Ca 0.00 2.03 0.03 0.00 0.43 0.00 0.00 52.55 55.04 3n05 s ASP 508 Cb 0.00 -2.58 0.73 0.00 -0.30 0.00 0.00 42.92 40.77 3n05 s ASP 508 CO 0.00 -0.60 1.68 1.88 -0.17 0.00 0.00 175.17 177.96 3n05 h TYR 509 N 2.23 0.54 0.00 -5.34 0.99 -2.02 -0.45 116.97 112.91 3n05 h TYR 509 Ca -0.49 0.04 -0.10 0.00 2.00 0.00 0.00 58.73 60.19 3n05 h TYR 509 Cb 1.22 -0.10 -0.01 0.00 1.00 0.00 0.00 36.73 38.84 3n05 h TYR 509 CO 0.57 -0.12 -0.49 -1.35 -0.00 0.00 0.00 178.16 176.78 3n05 h PRO 510 N 0.32 0.00 0.16 4.88 0.11 -1.99 -0.19 132.00 135.28 3n05 h PRO 510 Ca 0.56 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 66.36 3n05 h PRO 510 Cb 1.10 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.24 3n05 h PRO 510 CO -0.58 0.49 -1.31 0.28 -0.21 0.00 0.00 178.00 176.67 3n05 h VAL 511 N 0.00 1.30 0.08 3.15 2.07 -1.84 -2.95 116.25 118.05 3n05 h VAL 511 Ca -0.00 -2.57 0.02 0.00 0.82 0.00 0.00 66.70 64.96 3n05 h VAL 511 Cb 1.12 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.66 3n05 h VAL 511 CO 0.06 0.78 -0.24 0.25 0.02 0.00 0.00 177.57 178.44 3n05 h LEU 512 N 0.23 -0.67 -1.50 2.57 5.85 -0.94 -1.62 115.31 119.23 3n05 h LEU 512 Ca -0.20 0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 3n05 h LEU 512 Cb 1.99 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 43.27 3n05 h LEU 512 CO 0.25 -0.32 -0.17 0.44 -0.34 0.00 0.00 178.44 178.30 3n05 h ASP 513 N -0.41 0.11 -0.48 1.25 3.45 -1.14 0.03 116.42 119.23 3n05 h ASP 513 Ca 0.04 -0.02 -0.09 0.00 0.43 0.00 0.00 57.03 57.39 3n05 h ASP 513 Cb 0.45 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.17 3n05 h ASP 513 CO -0.16 0.29 -0.02 0.00 -1.57 0.00 0.00 179.24 177.78 3n05 h ALA 514 N 1.72 0.97 -0.10 3.45 0.00 -1.28 -0.60 119.26 123.43 3n05 h ALA 514 Ca 0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 3n05 h ALA 514 Cb 0.37 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3n05 h ALA 514 CO 0.02 0.62 -0.34 0.82 0.00 0.00 0.00 179.25 180.37 3n05 h ILE 515 N 0.84 1.39 -0.64 0.00 2.04 -0.47 -2.49 117.51 118.18 3n05 h ILE 515 Ca 0.15 -1.68 0.04 0.00 1.00 0.00 0.00 64.86 64.37 3n05 h ILE 515 Cb 0.52 2.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 3n05 h ILE 515 CO 0.03 0.49 0.38 -0.07 0.00 0.00 0.00 178.15 178.98 3n05 h LEU 516 N -0.02 0.60 -1.09 1.44 3.38 -1.00 -0.92 115.31 117.70 3n05 h LEU 516 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3n05 h LEU 516 Cb 0.97 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3n05 h LEU 516 CO 0.07 0.41 0.17 -0.08 0.09 0.00 0.00 178.44 179.11 3n05 h GLU 517 N 0.73 0.82 -0.48 1.13 4.81 -1.12 0.28 114.58 120.75 3n05 h GLU 517 Ca 0.26 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 3n05 h GLU 517 Cb 0.07 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3n05 h GLU 517 CO -0.12 0.71 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.59 3n05 h LEU 518 N 0.80 1.00 0.00 1.64 3.38 -0.95 -2.02 115.31 119.16 3n05 h LEU 518 Ca 0.18 -0.37 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 3n05 h LEU 518 Cb 0.23 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3n05 h LEU 518 CO -0.01 1.16 -0.17 0.22 0.09 0.00 0.00 178.44 179.73 3n05 h TYR 519 N 0.85 0.00 -0.13 1.13 3.20 -0.77 -1.60 116.97 119.66 3n05 h TYR 519 Ca 0.11 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 3n05 h TYR 519 Cb 0.77 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.04 3n05 h TYR 519 CO 0.05 0.06 -0.18 0.28 -1.64 0.00 0.00 178.16 176.73 3n05 h VAL 520 N -1.00 1.37 0.00 1.81 2.07 -0.63 -3.12 116.25 116.75 3n05 h VAL 520 Ca -0.01 -1.40 -0.26 0.00 0.82 0.00 0.00 66.70 65.85 3n05 h VAL 520 Cb 0.21 1.99 -0.05 0.00 -1.52 0.00 0.00 31.29 31.93 3n05 h VAL 520 CO -0.00 0.41 -1.78 0.47 0.02 0.00 0.00 177.57 176.69 3n05 n ASP 521 N -4.53 0.65 -0.27 0.57 10.43 -0.91 -4.34 116.55 118.14 3n05 n ASP 521 Ca -0.07 0.30 0.03 0.00 2.57 0.00 0.00 54.79 57.62 3n05 n ASP 521 Cb 0.39 0.32 0.06 0.00 1.84 0.00 0.00 41.12 43.73 3n05 n ASP 521 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3n05 n ARG 522 N -2.90 2.06 -4.06 -1.24 1.74 -0.81 -4.83 116.66 106.61 3n05 n ARG 522 Ca -0.17 -1.50 -0.33 0.00 -0.77 0.00 0.00 57.85 55.08 3n05 n ARG 522 Cb 0.99 -1.12 0.00 0.00 -1.02 0.00 0.00 32.46 31.31 3n05 n ARG 522 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3n05 n ASP 523 N 0.06 -4.17 -4.85 0.55 8.00 -1.11 -4.95 116.55 110.08 3n05 n ASP 523 Ca 0.05 -0.89 -0.38 0.00 0.71 0.00 0.00 54.79 54.28 3n05 n ASP 523 Cb 0.28 -3.36 -0.06 0.00 -0.02 0.00 0.00 41.12 37.96 3n05 n ASP 523 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3n05 s THR 524 N -3.29 5.18 0.83 -3.53 -4.23 -0.62 -5.02 115.64 104.96 3n05 s THR 524 Ca 0.71 0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 61.74 3n05 s THR 524 Cb -0.37 -3.61 0.09 0.00 1.34 0.00 0.00 72.50 69.94 3n05 s THR 524 CO 0.88 0.59 1.16 -0.83 -0.54 0.00 0.00 174.62 175.88 3n05 s GLY 525 N -1.07 1.59 0.11 3.99 0.00 -1.26 -4.39 107.32 106.29 3n05 s GLY 525 Ca 0.21 -0.58 -0.30 0.00 0.00 0.00 0.00 44.72 44.05 3n05 s GLY 525 CO 0.10 -0.08 1.61 0.00 0.00 0.00 0.00 173.10 174.73 3n05 h ALA 526 N -1.14 -0.65 -0.88 3.20 0.00 -1.98 -0.75 119.26 117.05 3n05 h ALA 526 Ca -0.47 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.52 3n05 h ALA 526 Cb 1.32 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 19.59 3n05 h ALA 526 CO 0.65 -0.92 0.57 -0.44 0.00 0.00 0.00 179.25 179.11 3n05 h ASP 527 N -0.63 0.59 0.46 0.00 3.32 -1.99 -0.56 116.42 117.62 3n05 h ASP 527 Ca 0.01 0.04 -0.26 0.00 0.02 0.00 0.00 57.03 56.84 3n05 h ASP 527 Cb 0.62 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.11 3n05 h ASP 527 CO -0.15 0.29 -1.16 0.00 -1.72 0.00 0.00 179.24 176.50 3n05 h ALA 528 N 1.61 0.16 -0.72 3.45 0.00 -1.83 -1.20 119.26 120.73 3n05 h ALA 528 Ca 0.45 -0.81 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 3n05 h ALA 528 Cb 0.81 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3n05 h ALA 528 CO -0.20 0.87 0.41 0.82 0.00 0.00 0.00 179.25 181.15 3n05 h ILE 529 N 0.15 1.21 -0.64 0.00 2.04 -0.26 0.43 117.51 120.45 3n05 h ILE 529 Ca -0.13 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.25 3n05 h ILE 529 Cb 1.85 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.13 3n05 h ILE 529 CO 0.20 0.23 0.39 0.58 0.00 0.00 0.00 178.15 179.55 3n05 h VAL 530 N 0.99 1.08 -0.72 1.67 2.07 -1.09 -2.38 116.25 117.87 3n05 h VAL 530 Ca 0.26 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3n05 h VAL 530 Cb 0.01 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 29.98 3n05 h VAL 530 CO -0.04 0.14 0.40 0.00 0.02 0.00 0.00 177.57 178.09 3n05 h ALA 531 N 1.28 1.36 0.00 1.67 0.00 -0.75 -2.23 119.26 120.60 3n05 h ALA 531 Ca 0.26 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3n05 h ALA 531 Cb 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3n05 h ALA 531 CO -0.11 0.53 0.00 0.00 0.00 0.00 0.00 179.25 179.67 3n05 h ALA 532 N 1.45 1.00 0.00 0.00 0.00 -0.40 -3.45 119.26 117.86 3n05 h ALA 532 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3n05 h ALA 532 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3n05 h ALA 532 CO -0.04 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.62 3n05 n GLY 533 N -0.68 0.26 3.92 0.00 0.00 -0.84 -5.10 105.19 102.75 3n05 n GLY 533 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3n05 n GLY 533 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n05 s TYR 534 N -1.13 3.48 -0.07 1.61 2.02 -1.11 -5.03 117.35 117.11 3n05 s TYR 534 Ca 0.00 0.42 -0.30 0.00 -0.37 0.00 0.00 57.07 56.82 3n05 s TYR 534 Cb 0.00 -1.91 -0.04 0.00 -0.40 0.00 0.00 41.96 39.61 3n05 s TYR 534 CO 0.00 0.39 1.36 0.34 -1.57 0.00 0.00 175.55 176.08 3n05 s ASP 535 N -2.91 6.89 0.24 2.29 2.15 -1.26 -4.25 116.67 119.81 3n05 s ASP 535 Ca 0.39 1.94 -0.07 0.00 0.43 0.00 0.00 52.55 55.25 3n05 s ASP 535 Cb -0.11 -2.55 0.41 0.00 -0.30 0.00 0.00 42.92 40.37 3n05 s ASP 535 CO 0.28 -0.74 1.68 -0.09 -0.17 0.00 0.00 175.17 176.13 3n05 h ARG 536 N 8.18 0.23 -0.63 4.34 2.43 -1.96 -0.21 114.38 126.76 3n05 h ARG 536 Ca -0.34 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.79 3n05 h ARG 536 Cb 1.15 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 3n05 h ARG 536 CO 0.93 0.15 0.29 1.49 -1.51 0.00 0.00 179.97 181.32 3n05 h GLU 537 N 0.24 0.91 -0.20 0.20 4.81 -2.00 -1.89 114.58 116.65 3n05 h GLU 537 Ca 0.39 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 59.32 3n05 h GLU 537 Cb 0.65 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.86 3n05 h GLU 537 CO -0.51 0.74 -0.54 1.25 -0.73 0.00 0.00 179.01 179.22 3n05 h LEU 538 N 0.87 0.65 0.08 1.64 5.85 -1.73 -2.50 115.31 120.17 3n05 h LEU 538 Ca 0.21 -0.34 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 3n05 h LEU 538 Cb 0.14 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 40.98 3n05 h LEU 538 CO -0.03 1.06 -0.04 0.58 -0.34 0.00 0.00 178.44 179.68 3n05 h VAL 539 N 0.45 1.04 -0.10 1.05 2.07 -0.90 -1.51 116.25 118.36 3n05 h VAL 539 Ca 0.01 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.15 3n05 h VAL 539 Cb 1.09 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 3n05 h VAL 539 CO 0.10 0.10 -0.09 0.58 0.02 0.00 0.00 177.57 178.28 3n05 h VAL 540 N -0.29 0.74 -0.78 2.57 2.07 -1.38 -0.66 116.25 118.52 3n05 h VAL 540 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 3n05 h VAL 540 Cb 0.24 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 3n05 h VAL 540 CO 0.02 0.00 0.45 0.50 0.02 0.00 0.00 177.57 178.56 3n05 h LYS 541 N -0.11 0.77 -0.08 1.57 3.64 -1.40 -0.15 116.57 120.81 3n05 h LYS 541 Ca 0.07 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3n05 h LYS 541 Cb 0.21 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3n05 h LYS 541 CO -0.17 0.51 0.01 1.15 -2.27 0.00 0.00 179.45 178.69 3n05 h THR 542 N 0.80 1.21 -0.36 1.00 2.02 -0.61 -1.92 112.91 115.04 3n05 h THR 542 Ca 0.36 -0.64 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 3n05 h THR 542 Cb 0.27 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 3n05 h THR 542 CO -0.21 0.18 -0.20 -0.07 0.37 0.00 0.00 175.52 175.59 3n05 h LEU 543 N -0.10 0.68 -0.08 2.58 3.38 -0.86 -0.91 115.31 120.01 3n05 h LEU 543 Ca 0.02 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.78 3n05 h LEU 543 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3n05 h LEU 543 CO 0.00 0.88 -0.01 0.03 0.09 0.00 0.00 178.44 179.43 3n05 h ARG 544 N 0.60 0.02 -0.92 1.13 -0.00 -1.03 -1.99 114.38 112.20 3n05 h ARG 544 Ca 0.09 -0.00 0.08 0.00 -0.50 0.00 0.00 59.98 59.65 3n05 h ARG 544 Cb 0.67 -0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.57 3n05 h ARG 544 CO 0.05 0.01 0.60 0.52 0.00 0.00 0.00 179.97 181.15 3n05 h MET 545 N 0.02 0.97 -0.16 0.04 2.86 -0.73 -2.46 114.93 115.48 3n05 h MET 545 Ca 0.04 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.58 3n05 h MET 545 Cb 0.05 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 3n05 h MET 545 CO -0.07 0.64 -0.05 0.28 1.06 0.00 0.00 176.91 178.77 3n05 h VAL 546 N 1.00 1.30 -0.81 -2.22 2.07 -1.00 -2.62 116.25 113.98 3n05 h VAL 546 Ca 0.41 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.94 3n05 h VAL 546 Cb 0.28 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.67 3n05 h VAL 546 CO -0.17 0.31 0.49 0.44 0.02 0.00 0.00 177.57 178.66 3n05 h ASP 547 N -0.00 0.77 0.52 0.57 3.45 -1.11 -2.47 116.42 118.14 3n05 h ASP 547 Ca 0.04 0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.51 3n05 h ASP 547 Cb 0.50 -0.14 0.00 0.00 -0.56 0.00 0.00 39.33 39.13 3n05 h ASP 547 CO 0.02 0.50 -0.15 0.35 -1.57 0.00 0.00 179.24 178.38 3n05 n THR 548 N -4.66 0.00 1.69 0.35 -2.24 -0.95 -3.44 114.28 105.04 3n05 n THR 548 Ca 0.11 -0.04 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 3n05 n THR 548 Cb 0.17 -0.12 0.45 0.00 -2.10 0.00 0.00 70.33 68.73 3n05 n THR 548 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3n05 n ALA 549 N -1.16 2.57 0.02 6.98 0.00 -0.93 -4.38 120.51 123.61 3n05 n ALA 549 Ca 0.11 -0.27 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 3n05 n ALA 549 Cb 0.30 -1.20 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 3n05 n ALA 549 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3n05 h GLU 550 N 0.85 -0.26 0.00 0.00 4.39 -1.68 -2.31 114.58 115.57 3n05 h GLU 550 Ca 0.00 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3n05 h GLU 550 Cb 0.19 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3n05 h GLU 550 CO 0.00 -0.18 -0.02 0.10 -1.16 0.00 0.00 179.01 177.75 3n05 h TYR 551 N -0.27 0.00 0.08 4.33 -0.00 -1.89 -2.04 116.97 117.17 3n05 h TYR 551 Ca 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 58.73 58.81 3n05 h TYR 551 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.12 3n05 h TYR 551 CO -0.28 0.02 -0.04 0.87 -0.00 0.00 0.00 178.16 178.73 3n05 h LYS 552 N 0.00 -0.11 0.00 0.10 1.57 -1.74 -3.25 116.57 113.15 3n05 h LYS 552 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3n05 h LYS 552 Cb 0.04 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3n05 h LYS 552 CO 0.00 0.32 0.00 2.89 -0.57 0.00 0.00 179.45 182.09 3n05 n ARG 553 N -4.93 0.58 0.09 3.15 1.85 -0.91 -2.68 116.66 113.81 3n05 n ARG 553 Ca -0.08 0.03 -0.19 0.00 -1.00 0.00 0.00 57.85 56.60 3n05 n ARG 553 Cb 0.24 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 30.01 3n05 n ARG 553 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3n05 h ARG 554 N 0.00 0.33 -0.64 2.89 3.08 -1.41 -3.32 114.38 115.30 3n05 h ARG 554 Ca 0.00 -0.56 0.00 0.00 0.07 0.00 0.00 59.98 59.49 3n05 h ARG 554 Cb 0.12 0.21 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3n05 h ARG 554 CO 0.00 1.23 0.00 1.04 -1.07 0.00 0.00 179.97 181.17 3n05 n GLN 555 N -3.54 3.57 -3.27 0.04 6.02 -1.09 -4.93 117.38 114.18 3n05 n GLN 555 Ca -0.15 -2.40 -0.37 0.00 -0.01 0.00 0.00 57.00 54.07 3n05 n GLN 555 Cb 1.05 -1.91 -0.06 0.00 1.02 0.00 0.00 30.24 30.35 3n05 n GLN 555 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 3n05 s TYR 556 N -2.03 3.73 0.91 1.08 5.04 -1.19 -5.07 117.35 119.82 3n05 s TYR 556 Ca 0.42 1.23 -0.12 0.00 -2.44 0.00 0.00 57.07 56.16 3n05 s TYR 556 Cb 0.29 -2.48 0.08 0.00 0.35 0.00 0.00 41.96 40.20 3n05 s TYR 556 CO 0.17 0.51 0.75 -0.35 -1.34 0.00 0.00 175.55 175.29 3n05 n PRO 557 N 1.31 -0.28 -0.72 4.97 -0.04 -1.26 -5.01 135.00 133.97 3n05 n PRO 557 Ca -0.08 -0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.06 3n05 n PRO 557 Cb 0.51 -2.09 0.19 0.00 -0.04 0.00 0.00 33.50 32.07 3n05 n PRO 557 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3n05 s PRO 558 N -3.98 0.39 -0.25 0.54 0.04 -1.25 -4.64 135.00 125.85 3n05 s PRO 558 Ca 0.62 1.20 -0.34 0.00 0.04 0.00 0.00 61.00 62.53 3n05 s PRO 558 Cb -0.23 -1.68 0.16 0.00 0.04 0.00 0.00 34.50 32.79 3n05 s PRO 558 CO 0.62 -2.95 1.30 0.20 0.04 0.00 0.00 177.00 176.21 3n05 s GLY 559 N -2.73 -0.14 0.10 0.56 0.00 -1.26 0.06 107.32 103.92 3n05 s GLY 559 Ca 0.67 2.13 -0.34 0.00 0.00 0.00 0.00 44.72 47.18 3n05 s GLY 559 CO 0.60 0.79 1.68 2.41 0.00 0.00 0.00 173.10 178.58 3n05 n THR 560 N 0.19 0.17 -3.49 0.90 -1.04 -1.25 -4.51 114.28 105.25 3n05 n THR 560 Ca 0.01 -0.03 -0.38 0.00 -2.04 0.00 0.00 64.05 61.62 3n05 n THR 560 Cb 0.58 -1.68 -0.06 0.00 -1.82 0.00 0.00 70.33 67.34 3n05 n THR 560 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3n05 s LYS 561 N 1.82 4.07 0.00 -2.82 -0.14 0.38 -3.98 119.74 119.07 3n05 s LYS 561 Ca 0.82 0.32 0.03 0.00 -1.36 0.00 0.00 55.97 55.78 3n05 s LYS 561 Cb -0.66 -3.32 -0.00 0.00 -1.68 0.00 0.00 37.83 32.17 3n05 s LYS 561 CO 0.41 0.47 0.36 0.44 -0.76 0.00 0.00 175.35 176.27 3n05 n ILE 562 N 2.66 0.00 -4.24 2.17 -5.35 -1.26 -4.63 119.36 108.71 3n05 n ILE 562 Ca -0.12 -0.47 -0.19 0.00 -0.27 0.00 0.00 62.75 61.70 3n05 n ILE 562 Cb 0.52 1.03 -0.16 0.00 -1.74 0.00 0.00 39.64 39.30 3n05 n ILE 562 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3n05 s SER 563 N -0.78 0.94 0.20 7.28 1.04 -1.26 0.92 113.70 122.04 3n05 s SER 563 Ca 0.02 -0.14 -0.02 0.00 0.48 0.00 0.00 55.95 56.30 3n05 s SER 563 Cb 0.03 -0.32 0.15 0.00 0.10 0.00 0.00 66.02 65.98 3n05 s SER 563 CO 0.08 0.01 1.53 0.00 0.98 0.00 0.00 173.24 175.84 3n05 h ALA 564 N 6.66 0.75 -2.40 5.32 0.00 -1.94 -3.37 119.26 124.27 3n05 h ALA 564 Ca -0.35 -0.50 -0.74 0.00 0.00 0.00 0.00 54.91 53.33 3n05 h ALA 564 Cb 1.17 -0.09 -0.26 0.00 0.00 0.00 0.00 17.79 18.60 3n05 h ALA 564 CO 0.49 0.68 -0.32 0.15 0.00 0.00 0.00 179.25 180.24 3n05 s LYS 565 N -4.03 2.74 0.00 0.00 1.02 -1.26 -4.94 119.74 113.27 3n05 s LYS 565 Ca -0.07 -1.68 0.00 0.00 0.02 0.00 0.00 55.97 54.24 3n05 s LYS 565 Cb 0.12 -4.08 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 3n05 s LYS 565 CO 0.83 -1.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.46 3n05 n GLY 566 N 5.07 2.61 3.91 -3.33 0.00 -1.26 -4.61 105.19 107.57 3n05 n GLY 566 Ca -0.11 0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 3n05 n GLY 566 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3n05 s PHE 567 N 1.10 3.42 -4.97 1.61 0.08 -1.26 -4.92 117.98 113.04 3n05 s PHE 567 Ca 0.00 0.79 0.00 0.00 0.12 0.00 0.00 56.93 57.84 3n05 s PHE 567 Cb 0.00 -2.58 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 3n05 s PHE 567 CO 0.00 -0.61 0.00 0.41 -0.10 0.00 0.00 175.22 174.92 3n05 n GLY 568 N -2.49 -1.40 0.06 4.36 0.00 -1.26 -4.99 105.19 99.47 3n05 n GLY 568 Ca 0.03 -1.23 0.07 0.00 0.00 0.00 0.00 46.02 44.89 3n05 n GLY 568 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3n05 n LYS 569 N -0.01 0.65 -0.02 1.61 4.76 -1.26 -4.21 118.16 119.67 3n05 n LYS 569 Ca 0.00 -0.04 -0.10 0.00 -2.87 0.00 0.00 58.31 55.30 3n05 n LYS 569 Cb 0.00 -1.63 -0.04 0.00 -1.84 0.00 0.00 35.03 31.52 3n05 n LYS 569 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 3n05 h ASP 570 N 0.00 0.14 -3.47 4.39 -0.00 -1.97 -3.40 116.42 112.11 3n05 h ASP 570 Ca -0.10 0.00 -0.65 0.00 -0.00 0.00 0.00 57.03 56.28 3n05 h ASP 570 Cb 1.26 -0.03 -0.25 0.00 -0.00 0.00 0.00 39.33 40.31 3n05 h ASP 570 CO 0.01 0.11 -0.68 -0.13 -0.00 0.00 0.00 179.24 178.54 3n05 s ARG 571 N -6.18 3.52 0.11 0.28 1.81 -1.26 -5.10 118.95 112.13 3n05 s ARG 571 Ca -0.13 -0.56 -0.15 0.00 -1.72 0.00 0.00 55.73 53.17 3n05 s ARG 571 Cb 0.08 -3.10 0.03 0.00 -0.45 0.00 0.00 34.95 31.51 3n05 s ARG 571 CO 0.68 -0.12 0.38 -0.98 -0.68 0.00 0.00 175.30 174.58 3n05 s ARG 572 N 1.34 1.03 0.26 3.54 1.70 -1.26 -4.39 118.95 121.16 3n05 s ARG 572 Ca 0.04 -0.70 0.08 0.00 -0.47 0.00 0.00 55.73 54.68 3n05 s ARG 572 Cb -0.15 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 3n05 s ARG 572 CO 0.00 -0.39 0.12 -0.51 -1.08 0.00 0.00 175.30 173.45 3n05 s LEU 573 N -2.72 3.58 0.57 -1.89 1.43 -1.26 -5.10 118.68 113.28 3n05 s LEU 573 Ca 0.02 -0.40 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 3n05 s LEU 573 Cb 0.02 -2.11 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 3n05 s LEU 573 CO -0.11 -0.03 1.07 -2.84 0.23 0.00 0.00 176.35 174.68 3n05 s PRO 574 N -3.78 3.35 -0.08 1.29 0.02 -1.26 -4.98 135.00 129.56 3n05 s PRO 574 Ca 0.32 1.34 -0.10 0.00 0.02 0.00 0.00 61.00 62.59 3n05 s PRO 574 Cb -0.07 -2.03 -0.07 0.00 0.02 0.00 0.00 34.50 32.35 3n05 s PRO 574 CO 0.23 -0.80 0.36 0.82 -0.33 0.00 0.00 177.00 177.28 3n05 h ILE 575 N 0.77 0.33 -2.43 2.83 2.04 -1.97 -3.41 117.51 115.68 3n05 h ILE 575 Ca -0.48 -1.09 -0.58 0.00 1.00 0.00 0.00 64.86 63.71 3n05 h ILE 575 Cb 1.23 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.90 3n05 h ILE 575 CO 0.57 0.10 1.34 -0.89 0.00 0.00 0.00 178.15 179.27 3n05 s THR 576 N -2.31 3.31 -0.30 -0.27 2.01 -1.26 -4.89 115.64 111.94 3n05 s THR 576 Ca -0.06 0.32 -0.02 0.00 0.31 0.00 0.00 61.69 62.24 3n05 s THR 576 Cb -0.00 -3.39 0.19 0.00 0.01 0.00 0.00 72.50 69.31 3n05 s THR 576 CO 0.21 -0.23 0.77 0.21 -0.69 0.00 0.00 174.62 174.88 3n05 s ASN 577 N 6.60 -1.13 0.00 3.53 2.47 -1.26 -5.02 114.94 120.13 3n05 s ASN 577 Ca 0.87 0.32 0.17 0.00 0.42 0.00 0.00 52.86 54.64 3n05 s ASN 577 Cb -0.27 1.79 0.52 0.00 -1.45 0.00 0.00 41.25 41.84 3n05 s ASN 577 CO 0.34 -0.21 1.41 0.54 -3.72 0.00 0.00 177.10 175.47 3n05 n ARG 578 N 5.36 1.99 -2.49 0.43 5.12 -1.26 -4.89 116.66 120.91 3n05 n ARG 578 Ca 0.03 -1.51 -0.42 0.00 -1.93 0.00 0.00 57.85 54.02 3n05 n ARG 578 Cb 0.54 -1.38 -0.03 0.00 -1.16 0.00 0.00 32.46 30.42 3n05 n ARG 578 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 3n05 s TRP 579 N -1.55 3.52 -0.15 -1.55 -0.11 -1.26 -5.03 118.94 112.81 3n05 s TRP 579 Ca 0.32 1.46 0.02 0.00 1.22 0.00 0.00 56.10 59.12 3n05 s TRP 579 Cb 0.17 -3.33 0.01 0.00 -1.50 0.00 0.00 33.47 28.82 3n05 s TRP 579 CO 0.24 -0.88 -0.20 1.03 -4.62 0.00 0.00 176.95 172.52 3n05 s ARG 580 N 0.50 2.82 0.25 5.86 3.00 -1.26 -5.06 118.95 125.07 3n05 s ARG 580 Ca 0.54 -0.77 -0.30 0.00 0.00 0.00 0.00 55.73 55.20 3n05 s ARG 580 Cb -0.28 -2.36 -0.09 0.00 0.00 0.00 0.00 34.95 32.22 3n05 s ARG 580 CO 0.31 -0.09 1.11 -2.00 0.00 0.00 0.00 175.30 174.63 3n05 s GLU 581 N 1.03 4.62 0.00 3.54 2.56 -1.26 -4.86 118.70 124.33 3n05 s GLU 581 Ca -0.03 1.80 0.00 0.00 0.00 0.00 0.00 54.97 56.74 3n05 s GLU 581 Cb -0.14 -3.21 0.00 0.00 2.00 0.00 0.00 34.13 32.78 3n05 s GLU 581 CO -0.06 0.16 0.00 0.41 -0.56 0.00 0.00 175.26 175.21 3n05 n GLY 582 N 1.43 1.27 0.24 -1.50 0.00 -1.26 -4.80 105.19 100.57 3n05 n GLY 582 Ca 0.00 -1.75 0.15 0.00 0.00 0.00 0.00 46.02 44.42 3n05 n GLY 582 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74