#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2t s ARG 2 N 0.00 3.25 0.00 0.03 0.52 -1.26 -5.02 118.95 116.46 1u2t s ARG 2 Ca 0.00 -0.83 0.23 0.00 -0.52 0.00 0.00 55.73 54.61 1u2t s ARG 2 Cb 0.00 -2.79 1.02 0.00 0.52 0.00 0.00 34.95 33.70 1u2t s ARG 2 CO 0.00 0.44 1.74 0.00 0.02 0.00 0.00 175.30 177.51 1u2t n GLN 3 N -1.11 0.05 -3.74 3.54 10.64 -0.78 -4.82 117.38 121.17 1u2t n GLN 3 Ca -0.08 0.10 -0.13 0.00 -1.83 0.00 0.00 57.00 55.06 1u2t n GLN 3 Cb 0.57 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.34 1u2t n GLN 3 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1u2t s LEU 4 N -2.93 0.48 -0.42 2.61 2.96 -0.99 -4.77 118.68 115.61 1u2t s LEU 4 Ca 0.13 0.78 -0.00 0.00 -0.22 0.00 0.00 54.13 54.82 1u2t s LEU 4 Cb 0.15 1.32 0.12 0.00 0.50 0.00 0.00 46.19 48.28 1u2t s LEU 4 CO 0.41 -0.14 0.19 -0.22 -1.32 0.00 0.00 176.35 175.27 1u2t s LEU 5 N 0.29 5.02 -0.39 -0.68 0.20 -0.37 -0.28 118.68 122.46 1u2t s LEU 5 Ca -0.01 -2.27 -0.21 0.00 0.69 0.00 0.00 54.13 52.34 1u2t s LEU 5 Cb -0.03 -1.75 0.01 0.00 -0.43 0.00 0.00 46.19 43.99 1u2t s LEU 5 CO -0.00 -0.44 0.66 -0.22 -0.29 0.00 0.00 176.35 176.06 1u2t s LEU 6 N 0.78 4.32 -0.30 -0.68 0.20 0.58 -2.13 118.68 121.45 1u2t s LEU 6 Ca 0.11 -0.01 -0.01 0.00 0.69 0.00 0.00 54.13 54.91 1u2t s LEU 6 Cb -0.22 -2.80 0.05 0.00 -0.43 0.00 0.00 46.19 42.80 1u2t s LEU 6 CO -0.05 -0.69 -0.00 -0.63 -0.29 0.00 0.00 176.35 174.69 1u2t s ILE 7 N 2.83 2.89 0.16 6.68 1.01 -0.01 -1.03 121.20 133.73 1u2t s ILE 7 Ca 0.25 -1.47 0.11 0.00 0.00 0.00 0.00 60.65 59.54 1u2t s ILE 7 Cb -0.14 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1u2t s ILE 7 CO 0.17 -0.14 -0.24 -0.55 0.00 0.00 0.00 174.94 174.18 1u2t s SER 8 N 1.25 3.26 0.47 3.58 0.15 -0.49 -0.98 113.70 120.94 1u2t s SER 8 Ca -0.05 -0.81 -0.09 0.00 0.70 0.00 0.00 55.95 55.70 1u2t s SER 8 Cb -0.20 -0.23 -0.05 0.00 -1.71 0.00 0.00 66.02 63.83 1u2t s SER 8 CO -0.02 0.12 0.82 -0.62 1.20 0.00 0.00 173.24 174.75 1u2t s ASP 9 N -2.41 6.39 0.00 5.45 2.15 -0.91 -0.51 116.67 126.83 1u2t s ASP 9 Ca 0.17 1.11 0.00 0.00 0.43 0.00 0.00 52.55 54.26 1u2t s ASP 9 Cb -0.09 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1u2t s ASP 9 CO 0.08 -0.54 0.00 0.18 -0.17 0.00 0.00 175.17 174.72 1u2t n LEU 10 N -1.88 0.81 -4.70 -1.34 4.77 -1.26 -1.90 117.00 111.51 1u2t n LEU 10 Ca 0.02 0.02 -0.56 0.00 -0.03 0.00 0.00 56.01 55.46 1u2t n LEU 10 Cb 0.54 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.51 1u2t n LEU 10 CO 0.51 -0.06 1.30 -0.67 -1.33 0.00 0.00 177.39 177.14 1u2t n ASP 11 N -1.33 2.43 0.00 -1.43 2.03 -1.26 -0.74 116.55 116.25 1u2t n ASP 11 Ca 0.00 1.07 0.00 0.00 0.52 0.00 0.00 54.79 56.38 1u2t n ASP 11 Cb 0.00 -1.17 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 1u2t n ASP 11 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1u2t n ASN 12 N 5.20 -0.76 0.00 1.67 3.02 -0.35 -4.73 115.26 119.31 1u2t n ASN 12 Ca 0.25 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1u2t n ASN 12 Cb 0.15 -1.72 0.00 0.00 -0.61 0.00 0.00 39.78 37.60 1u2t n ASN 12 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1u2t n THR 13 N -2.06 0.00 0.10 3.41 -1.04 -0.21 -3.95 114.28 110.54 1u2t n THR 13 Ca 0.00 0.05 -0.23 0.00 -2.04 0.00 0.00 64.05 61.83 1u2t n THR 13 Cb 0.05 -0.88 -0.14 0.00 -1.82 0.00 0.00 70.33 67.54 1u2t n THR 13 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1u2t h TRP 14 N 0.00 0.93 -2.33 -1.42 2.91 -0.24 0.52 115.95 116.32 1u2t h TRP 14 Ca 0.00 -0.63 -0.50 0.00 1.13 0.00 0.00 58.89 58.89 1u2t h TRP 14 Cb 0.00 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.56 1u2t h TRP 14 CO 0.00 1.47 -0.48 0.08 -1.03 0.00 0.00 178.44 178.48 1u2t s VAL 15 N -2.79 4.96 0.00 2.65 1.01 0.08 -4.06 120.40 122.25 1u2t s VAL 15 Ca -0.10 -1.05 0.00 0.00 0.00 0.00 0.00 61.98 60.83 1u2t s VAL 15 Cb 0.04 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1u2t s VAL 15 CO 0.92 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 176.37 1u2t n GLY 16 N -1.05 2.45 2.88 4.51 0.00 -1.26 -1.21 105.19 111.51 1u2t n GLY 16 Ca -0.08 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.14 1u2t n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u2t s ASP 17 N -0.26 3.59 0.06 1.61 -1.08 -1.26 -5.03 116.67 114.30 1u2t s ASP 17 Ca 0.00 -1.08 -0.20 0.00 -0.52 0.00 0.00 52.55 50.75 1u2t s ASP 17 Cb 0.00 -1.02 -0.12 0.00 -1.46 0.00 0.00 42.92 40.32 1u2t s ASP 17 CO 0.00 -0.26 1.43 -0.61 0.52 0.00 0.00 175.17 176.25 1u2t h GLN 18 N 8.03 0.35 -0.78 4.34 5.75 -1.96 -1.32 115.11 129.53 1u2t h GLN 18 Ca -0.17 -0.15 0.12 0.00 -0.15 0.00 0.00 58.65 58.30 1u2t h GLN 18 Cb 1.08 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 29.54 1u2t h GLN 18 CO 0.39 0.64 0.39 0.37 -2.65 0.00 0.00 178.83 177.98 1u2t h GLN 19 N 0.05 0.59 -0.24 1.69 4.15 -1.99 0.60 115.11 119.97 1u2t h GLN 19 Ca 0.04 -0.04 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 1u2t h GLN 19 Cb 0.53 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.09 1u2t h GLN 19 CO 0.02 0.39 -0.50 0.00 -1.93 0.00 0.00 178.83 176.82 1u2t h ALA 20 N 1.50 0.38 -0.63 3.38 0.00 -1.96 -1.41 119.26 120.51 1u2t h ALA 20 Ca 0.41 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1u2t h ALA 20 Cb 0.51 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1u2t h ALA 20 CO -0.32 0.55 0.42 1.25 0.00 0.00 0.00 179.25 181.15 1u2t h LEU 21 N 0.49 0.69 -0.14 0.00 6.46 -0.46 0.14 115.31 122.49 1u2t h LEU 21 Ca 0.00 -0.01 -0.11 0.00 -0.12 0.00 0.00 57.88 57.64 1u2t h LEU 21 Cb 1.10 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 40.87 1u2t h LEU 21 CO 0.11 0.49 -0.36 -0.33 -0.62 0.00 0.00 178.44 177.73 1u2t h GLU 22 N 0.81 0.49 0.00 1.25 5.08 -0.67 -1.62 114.58 119.92 1u2t h GLU 22 Ca 0.24 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1u2t h GLU 22 Cb -0.01 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1u2t h GLU 22 CO -0.06 0.96 0.00 1.12 -1.00 0.00 0.00 179.01 180.03 1u2t h HIS 23 N 0.10 0.00 0.00 4.33 2.07 -0.98 -0.19 115.15 120.48 1u2t h HIS 23 Ca -0.01 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.44 1u2t h HIS 23 Cb 0.97 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.96 1u2t h HIS 23 CO 0.10 0.00 -0.31 1.25 -3.07 0.00 0.00 177.93 175.91 1u2t h LEU 24 N 0.00 0.27 -1.15 6.12 5.85 -0.94 -2.47 115.31 122.99 1u2t h LEU 24 Ca 0.00 -0.78 -0.08 0.00 0.84 0.00 0.00 57.88 57.86 1u2t h LEU 24 Cb 0.73 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1u2t h LEU 24 CO 0.00 1.02 -0.37 1.56 -0.34 0.00 0.00 178.44 180.31 1u2t h GLN 25 N -0.46 0.00 -0.16 1.25 4.20 -1.20 -1.70 115.11 117.05 1u2t h GLN 25 Ca -0.04 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 1u2t h GLN 25 Cb 1.07 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.85 1u2t h GLN 25 CO 0.06 0.37 -0.19 1.49 -0.67 0.00 0.00 178.83 179.89 1u2t h GLU 26 N 0.00 0.41 -0.09 1.46 4.57 -1.06 -1.61 114.58 118.27 1u2t h GLU 26 Ca -0.00 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 1u2t h GLU 26 Cb 0.77 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.37 1u2t h GLU 26 CO 0.05 0.81 0.03 -0.92 -1.18 0.00 0.00 179.01 177.80 1u2t h TYR 27 N 0.04 0.13 0.00 0.92 3.20 -1.30 -2.68 116.97 117.28 1u2t h TYR 27 Ca 0.02 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1u2t h TYR 27 Cb 0.75 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.98 1u2t h TYR 27 CO 0.09 0.24 0.00 -0.07 -1.64 0.00 0.00 178.16 176.78 1u2t h LEU 28 N -0.02 0.00 -0.44 2.82 3.38 -1.34 -2.62 115.31 117.09 1u2t h LEU 28 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1u2t h LEU 28 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1u2t h LEU 28 CO -0.00 0.00 -0.05 1.23 0.09 0.00 0.00 178.44 179.71 1u2t h GLY 29 N 1.60 0.00 0.20 0.83 0.00 -0.93 -2.79 103.07 101.98 1u2t h GLY 29 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u2t h GLY 29 CO 0.00 0.00 -0.05 1.22 0.00 0.00 0.00 176.54 177.71 1u2t n ASP 30 N -3.12 0.92 -2.76 0.19 8.00 -0.99 -3.87 116.55 114.93 1u2t n ASP 30 Ca 0.03 -1.14 -0.02 0.00 0.71 0.00 0.00 54.79 54.37 1u2t n ASP 30 Cb 0.48 0.00 0.08 0.00 -0.02 0.00 0.00 41.12 41.66 1u2t n ASP 30 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1u2t n ARG 31 N -0.40 1.52 -0.10 -1.24 1.85 -1.19 -4.97 116.66 112.14 1u2t n ARG 31 Ca 0.18 -2.65 0.17 0.00 -1.00 0.00 0.00 57.85 54.55 1u2t n ARG 31 Cb 0.29 -0.83 0.57 0.00 -1.05 0.00 0.00 32.46 31.44 1u2t n ARG 31 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1u2t h ARG 32 N 2.10 0.26 -0.00 2.89 9.65 -1.60 -1.62 114.38 126.06 1u2t h ARG 32 Ca -0.24 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.62 1u2t h ARG 32 Cb 1.27 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1u2t h ARG 32 CO 0.08 0.17 -0.05 0.41 2.80 0.00 0.00 179.97 183.39 1u2t n GLY 33 N -1.56 -1.15 0.02 2.80 0.00 -1.26 -3.77 105.19 100.26 1u2t n GLY 33 Ca 0.12 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1u2t n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u2t n ASN 34 N -1.16 0.31 -4.00 1.61 3.02 -0.61 -4.86 115.26 109.57 1u2t n ASN 34 Ca 0.14 -0.02 -0.08 0.00 -0.03 0.00 0.00 54.58 54.59 1u2t n ASN 34 Cb 0.25 -0.09 -0.09 0.00 -0.61 0.00 0.00 39.78 39.25 1u2t n ASN 34 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 1u2t s PHE 35 N -2.92 0.40 -0.09 3.10 -0.71 -1.25 -1.86 117.98 114.66 1u2t s PHE 35 Ca 0.15 -0.87 -0.02 0.00 -1.04 0.00 0.00 56.93 55.14 1u2t s PHE 35 Cb 0.18 -0.24 -0.03 0.00 -1.21 0.00 0.00 43.02 41.72 1u2t s PHE 35 CO 0.60 -0.49 0.01 0.71 -1.34 0.00 0.00 175.22 174.71 1u2t s TYR 36 N -3.92 3.19 -0.06 3.49 1.51 0.61 -4.97 117.35 117.21 1u2t s TYR 36 Ca 0.09 0.19 0.05 0.00 -1.01 0.00 0.00 57.07 56.39 1u2t s TYR 36 Cb 0.06 -1.81 -0.02 0.00 -0.11 0.00 0.00 41.96 40.08 1u2t s TYR 36 CO -0.08 0.46 -0.19 -1.17 -1.11 0.00 0.00 175.55 173.45 1u2t s LEU 37 N -0.80 2.42 -0.02 -1.29 2.96 -1.26 -0.31 118.68 120.38 1u2t s LEU 37 Ca 0.12 -0.35 -0.00 0.00 -0.22 0.00 0.00 54.13 53.68 1u2t s LEU 37 Cb -0.11 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 45.13 1u2t s LEU 37 CO 0.02 0.29 0.04 0.00 -1.32 0.00 0.00 176.35 175.37 1u2t s ALA 38 N -0.38 0.04 -0.22 5.97 0.00 -0.20 -0.26 121.76 126.71 1u2t s ALA 38 Ca 0.03 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 1u2t s ALA 38 Cb -0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 23.12 22.72 1u2t s ALA 38 CO 0.02 -0.10 0.23 0.71 0.00 0.00 0.00 175.76 176.63 1u2t s TYR 39 N 0.92 3.35 -0.36 0.00 4.12 -1.04 -1.40 117.35 122.95 1u2t s TYR 39 Ca -0.08 0.38 -0.03 0.00 0.02 0.00 0.00 57.07 57.36 1u2t s TYR 39 Cb -0.11 -2.33 0.08 0.00 -1.52 0.00 0.00 41.96 38.08 1u2t s TYR 39 CO -0.03 0.08 0.12 0.00 0.02 0.00 0.00 175.55 175.75 1u2t s ALA 40 N 1.00 3.03 0.20 3.71 0.00 0.33 0.17 121.76 130.20 1u2t s ALA 40 Ca 0.12 -2.18 0.05 0.00 0.00 0.00 0.00 51.96 49.95 1u2t s ALA 40 Cb -0.14 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.69 1u2t s ALA 40 CO 0.05 -1.57 -0.07 -0.08 0.00 0.00 0.00 175.76 174.09 1u2t s THR 41 N 1.21 1.25 -1.51 0.00 -1.32 -0.42 -4.06 115.64 110.79 1u2t s THR 41 Ca 0.03 -2.08 0.27 0.00 -1.21 0.00 0.00 61.69 58.69 1u2t s THR 41 Cb -0.21 -2.12 0.25 0.00 -1.51 0.00 0.00 72.50 68.91 1u2t s THR 41 CO -0.02 -0.52 1.62 0.61 -2.21 0.00 0.00 174.62 174.10 1u2t n GLY 42 N -0.34 -0.89 3.83 6.08 0.00 -1.26 0.39 105.19 112.99 1u2t n GLY 42 Ca -0.07 -0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 1u2t n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u2t s ARG 43 N -2.64 3.75 0.88 1.61 0.52 -1.26 -3.90 118.95 117.92 1u2t s ARG 43 Ca 0.22 1.06 -0.11 0.00 -0.52 0.00 0.00 55.73 56.37 1u2t s ARG 43 Cb 0.19 -2.10 0.12 0.00 0.52 0.00 0.00 34.95 33.68 1u2t s ARG 43 CO 0.55 -0.44 1.09 -1.54 0.02 0.00 0.00 175.30 174.98 1u2t s SER 44 N -2.91 3.58 0.29 0.23 1.04 -1.26 -0.06 113.70 114.61 1u2t s SER 44 Ca 0.61 1.51 -0.03 0.00 0.48 0.00 0.00 55.95 58.52 1u2t s SER 44 Cb -0.12 -2.20 0.40 0.00 0.10 0.00 0.00 66.02 64.20 1u2t s SER 44 CO 0.32 -2.57 1.93 0.22 0.98 0.00 0.00 173.24 174.12 1u2t h TYR 45 N -1.50 1.05 0.02 5.02 3.20 -1.96 -0.54 116.97 122.25 1u2t h TYR 45 Ca -0.49 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.38 1u2t h TYR 45 Cb 1.28 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1u2t h TYR 45 CO 0.44 0.70 -0.01 1.25 -1.64 0.00 0.00 178.16 178.90 1u2t h HIS 46 N 1.11 -0.02 0.00 -3.82 2.76 -2.00 -1.43 115.15 111.75 1u2t h HIS 46 Ca 0.29 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.45 1u2t h HIS 46 Cb -0.05 0.01 -0.00 0.00 1.55 0.00 0.00 27.41 28.92 1u2t h HIS 46 CO 0.00 0.18 -0.05 1.03 -1.30 0.00 0.00 177.93 177.80 1u2t h SER 47 N -0.22 0.00 0.02 3.26 0.87 -1.86 -2.31 113.55 113.31 1u2t h SER 47 Ca -0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 1u2t h SER 47 Cb 0.22 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1u2t h SER 47 CO 0.00 0.05 -0.39 0.00 -0.53 0.00 0.00 176.83 175.96 1u2t h ALA 48 N 1.95 0.02 -0.26 6.23 0.00 -0.60 -2.91 119.26 123.69 1u2t h ALA 48 Ca -0.00 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 1u2t h ALA 48 Cb 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1u2t h ALA 48 CO 0.01 0.18 0.13 0.00 0.00 0.00 0.00 179.25 179.57 1u2t h ARG 49 N -0.42 0.35 0.14 0.00 2.47 -0.90 -1.67 114.38 114.35 1u2t h ARG 49 Ca -0.05 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 1u2t h ARG 49 Cb 1.17 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.42 1u2t h ARG 49 CO 0.08 0.27 -0.07 0.93 0.56 0.00 0.00 179.97 181.74 1u2t h GLU 50 N 0.36 -0.18 -0.47 0.04 5.08 -1.44 -2.30 114.58 115.68 1u2t h GLU 50 Ca 0.09 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1u2t h GLU 50 Cb 0.03 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 1u2t h GLU 50 CO -0.01 -0.09 0.07 1.25 -1.00 0.00 0.00 179.01 179.23 1u2t h LEU 51 N -0.22 -0.05 -1.64 1.33 6.46 -1.14 0.43 115.31 120.48 1u2t h LEU 51 Ca -0.02 0.09 0.18 0.00 -0.12 0.00 0.00 57.88 58.01 1u2t h LEU 51 Cb 0.17 0.13 -0.05 0.00 -0.73 0.00 0.00 40.66 40.19 1u2t h LEU 51 CO 0.03 0.01 0.53 -0.61 -0.62 0.00 0.00 178.44 177.78 1u2t h GLN 52 N 0.19 0.32 0.04 1.25 4.15 -1.06 0.10 115.11 120.10 1u2t h GLN 52 Ca 0.23 -0.02 -0.21 0.00 0.77 0.00 0.00 58.65 59.42 1u2t h GLN 52 Cb 0.32 -0.07 0.02 0.00 0.21 0.00 0.00 27.48 27.95 1u2t h GLN 52 CO -0.33 0.21 -0.86 0.87 -1.93 0.00 0.00 178.83 176.80 1u2t h LYS 53 N 0.33 0.52 0.13 1.69 1.57 -0.39 0.38 116.57 120.79 1u2t h LYS 53 Ca 0.40 -0.60 -0.01 0.00 -1.87 0.00 0.00 60.65 58.56 1u2t h LYS 53 Cb 1.05 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1u2t h LYS 53 CO -0.12 1.23 -0.06 1.96 -0.57 0.00 0.00 179.45 181.89 1u2t h GLN 54 N 0.07 -0.17 -0.01 3.15 4.20 -0.07 -3.28 115.11 119.00 1u2t h GLN 54 Ca -0.12 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1u2t h GLN 54 Cb 1.56 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.38 1u2t h GLN 54 CO 0.17 0.10 -0.32 1.33 -0.67 0.00 0.00 178.83 179.44 1u2t n VAL 55 N -5.05 0.00 -2.71 -0.54 0.24 -0.11 -4.99 118.33 105.17 1u2t n VAL 55 Ca -0.09 -0.24 -0.09 0.00 -2.04 0.00 0.00 64.34 61.88 1u2t n VAL 55 Cb 0.19 0.94 0.05 0.00 -1.47 0.00 0.00 33.84 33.55 1u2t n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u2t n GLY 56 N 1.37 -0.12 3.76 7.63 0.00 0.00 -5.00 105.19 112.83 1u2t n GLY 56 Ca 0.11 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1u2t n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u2t s LEU 57 N -4.47 3.39 0.12 0.99 1.43 -0.48 -5.00 118.68 114.66 1u2t s LEU 57 Ca 0.10 2.08 -0.16 0.00 -1.03 0.00 0.00 54.13 55.11 1u2t s LEU 57 Cb -0.01 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 41.58 1u2t s LEU 57 CO 0.42 -1.75 0.56 0.00 0.23 0.00 0.00 176.35 175.82 1u2t s MET 58 N -4.03 4.07 -0.15 1.70 0.23 -1.26 -4.93 119.30 114.92 1u2t s MET 58 Ca 0.69 0.59 -0.32 0.00 -1.03 0.00 0.00 55.69 55.62 1u2t s MET 58 Cb -0.22 -3.04 -0.09 0.00 -1.53 0.00 0.00 34.83 29.94 1u2t s MET 58 CO 0.42 0.54 2.05 -1.91 -2.03 0.00 0.00 175.02 174.08 1u2t n GLU 59 N 1.14 2.03 -2.30 3.16 4.07 -1.26 -4.98 120.64 122.51 1u2t n GLU 59 Ca -0.07 0.67 -0.28 0.00 -0.06 0.00 0.00 57.16 57.42 1u2t n GLU 59 Cb 0.51 -2.83 0.02 0.00 -0.06 0.00 0.00 31.44 29.08 1u2t n GLU 59 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1u2t s PRO 60 N 5.16 3.13 0.18 5.31 0.04 -1.26 -4.98 135.00 142.58 1u2t s PRO 60 Ca 0.97 0.22 0.07 0.00 0.04 0.00 0.00 61.00 62.30 1u2t s PRO 60 Cb -0.58 -2.23 0.02 0.00 0.04 0.00 0.00 34.50 31.75 1u2t s PRO 60 CO 0.45 -0.63 1.41 -0.44 0.04 0.00 0.00 177.00 177.83 1u2t h ASP 61 N -0.19 0.06 -5.09 6.66 3.32 -1.01 -3.46 116.42 116.71 1u2t h ASP 61 Ca -0.45 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.43 1u2t h ASP 61 Cb 1.24 -0.02 -0.17 0.00 0.22 0.00 0.00 39.33 40.60 1u2t h ASP 61 CO 0.62 0.88 -0.48 -0.31 -1.72 0.00 0.00 179.24 178.22 1u2t s TYR 62 N -3.11 0.17 -0.25 4.55 1.51 -0.81 -4.04 117.35 115.36 1u2t s TYR 62 Ca -0.01 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 1u2t s TYR 62 Cb 0.11 -0.11 0.07 0.00 -0.11 0.00 0.00 41.96 41.91 1u2t s TYR 62 CO 0.80 -0.40 -0.05 -1.58 -1.11 0.00 0.00 175.55 173.22 1u2t s TRP 63 N -2.72 2.69 -0.91 2.71 0.52 -0.91 -2.48 118.94 117.84 1u2t s TRP 63 Ca -0.04 -2.01 -0.15 0.00 0.02 0.00 0.00 56.10 53.92 1u2t s TRP 63 Cb -0.00 -1.80 0.19 0.00 -1.15 0.00 0.00 33.47 30.71 1u2t s TRP 63 CO -0.05 -0.82 0.96 -0.51 0.02 0.00 0.00 176.95 176.55 1u2t s LEU 64 N 1.29 6.05 0.44 2.99 1.02 0.13 -0.87 118.68 129.73 1u2t s LEU 64 Ca -0.04 -2.57 0.05 0.00 0.02 0.00 0.00 54.13 51.59 1u2t s LEU 64 Cb -0.19 -2.29 0.01 0.00 0.02 0.00 0.00 46.19 43.75 1u2t s LEU 64 CO -0.07 -0.73 0.62 0.42 0.02 0.00 0.00 176.35 176.61 1u2t s THR 65 N 0.98 3.21 -1.43 5.49 -4.23 -0.05 -1.30 115.64 118.32 1u2t s THR 65 Ca 0.26 -0.85 -0.06 0.00 -1.18 0.00 0.00 61.69 59.85 1u2t s THR 65 Cb -0.08 -3.13 0.04 0.00 1.34 0.00 0.00 72.50 70.68 1u2t s THR 65 CO -0.09 -0.06 0.76 0.00 -0.54 0.00 0.00 174.62 174.69 1u2t n ALA 66 N -1.97 -1.70 -2.78 3.99 0.00 0.92 -0.65 120.51 118.31 1u2t n ALA 66 Ca 0.06 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.29 1u2t n ALA 66 Cb 0.59 -2.89 0.02 0.00 0.00 0.00 0.00 19.45 17.18 1u2t n ALA 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u2t n VAL 67 N -4.45 -1.46 -0.99 0.00 0.31 0.16 -2.32 118.33 109.58 1u2t n VAL 67 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1u2t n VAL 67 Cb 0.61 -2.85 0.00 0.00 -0.91 0.00 0.00 33.84 30.70 1u2t n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u2t n GLY 68 N -1.31 0.55 0.25 2.92 0.00 0.18 -2.47 105.19 105.30 1u2t n GLY 68 Ca -0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.06 1u2t n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u2t h SER 69 N 0.00 0.00 -3.91 1.61 4.64 -0.88 -3.39 113.55 111.62 1u2t h SER 69 Ca 0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.94 1u2t h SER 69 Cb 0.06 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 61.86 1u2t h SER 69 CO 0.00 0.09 -0.77 -1.61 -0.87 0.00 0.00 176.83 173.67 1u2t s GLU 70 N -3.56 0.68 -0.13 4.77 2.02 -0.93 -4.88 118.70 116.69 1u2t s GLU 70 Ca 0.02 -0.26 0.02 0.00 0.02 0.00 0.00 54.97 54.77 1u2t s GLU 70 Cb 0.09 -0.66 0.01 0.00 0.10 0.00 0.00 34.13 33.67 1u2t s GLU 70 CO 0.60 0.13 -0.17 0.42 0.02 0.00 0.00 175.26 176.26 1u2t s ILE 71 N -0.01 1.70 -0.24 -1.63 1.01 -1.26 -0.87 121.20 119.90 1u2t s ILE 71 Ca 0.01 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 1u2t s ILE 71 Cb -0.05 -1.54 -0.02 0.00 0.01 0.00 0.00 42.46 40.85 1u2t s ILE 71 CO -0.00 0.48 0.05 -0.31 0.00 0.00 0.00 174.94 175.16 1u2t s TYR 72 N 1.03 3.06 0.67 3.97 2.02 -0.05 -1.20 117.35 126.86 1u2t s TYR 72 Ca -0.04 -0.51 -0.05 0.00 -0.37 0.00 0.00 57.07 56.10 1u2t s TYR 72 Cb -0.15 -2.20 0.06 0.00 -0.40 0.00 0.00 41.96 39.27 1u2t s TYR 72 CO -0.04 -0.38 0.96 -1.01 -1.57 0.00 0.00 175.55 173.52 1u2t s HIS 73 N 1.54 2.80 0.25 2.71 3.76 0.11 -2.13 115.29 124.32 1u2t s HIS 73 Ca 0.06 0.29 -0.05 0.00 -0.15 0.00 0.00 55.06 55.21 1u2t s HIS 73 Cb -0.15 -3.10 0.34 0.00 1.11 0.00 0.00 32.58 30.78 1u2t s HIS 73 CO 0.02 -1.32 1.87 -1.35 -0.85 0.00 0.00 174.74 173.11 1u2t h PRO 74 N -0.45 1.04 -0.09 8.40 0.11 -1.95 -0.22 132.00 138.84 1u2t h PRO 74 Ca -0.43 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1u2t h PRO 74 Cb 1.31 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1u2t h PRO 74 CO 0.57 0.69 -0.34 0.93 -0.21 0.00 0.00 178.00 179.63 1u2t h GLU 75 N 1.07 0.17 0.00 1.05 3.07 -1.95 -3.49 114.58 114.50 1u2t h GLU 75 Ca 0.39 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 1u2t h GLU 75 Cb 0.13 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1u2t h GLU 75 CO -0.16 0.49 0.00 0.41 -1.40 0.00 0.00 179.01 178.35 1u2t n GLY 76 N -0.42 0.41 3.51 -3.84 0.00 -0.10 -5.12 105.19 99.64 1u2t n GLY 76 Ca -0.01 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 1u2t n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1u2t n LEU 77 N 0.00 1.40 -4.54 0.99 7.94 -1.26 0.07 117.00 121.59 1u2t n LEU 77 Ca 0.00 0.81 -0.41 0.00 -1.11 0.00 0.00 56.01 55.30 1u2t n LEU 77 Cb 0.00 -1.22 -0.09 0.00 0.53 0.00 0.00 43.42 42.64 1u2t n LEU 77 CO 0.00 -2.63 0.11 -0.62 -1.11 0.00 0.00 177.39 173.14 1u2t s ASP 78 N -1.10 6.23 0.36 1.96 -1.08 -0.34 -4.75 116.67 117.95 1u2t s ASP 78 Ca 0.69 -0.22 0.22 0.00 -0.52 0.00 0.00 52.55 52.72 1u2t s ASP 78 Cb -0.48 -2.23 0.23 0.00 -1.46 0.00 0.00 42.92 38.99 1u2t s ASP 78 CO 0.54 -0.42 1.45 -0.61 0.52 0.00 0.00 175.17 176.65 1u2t h GLN 79 N 8.50 0.00 -0.04 4.34 5.75 -1.91 -2.76 115.11 128.99 1u2t h GLN 79 Ca -0.29 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 57.96 1u2t h GLN 79 Cb 1.13 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.70 1u2t h GLN 79 CO 0.74 0.05 -0.98 1.25 -2.65 0.00 0.00 178.83 177.24 1u2t h HIS 80 N 0.00 1.06 -0.56 3.99 2.76 -1.99 -1.90 115.15 118.50 1u2t h HIS 80 Ca -0.00 -0.55 -0.08 0.00 -2.20 0.00 0.00 60.37 57.54 1u2t h HIS 80 Cb 1.05 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.85 1u2t h HIS 80 CO 0.00 1.39 0.04 2.35 -1.30 0.00 0.00 177.93 180.41 1u2t h TRP 81 N 0.44 1.00 0.19 5.26 2.91 -1.97 0.69 115.95 124.46 1u2t h TRP 81 Ca -0.11 -0.14 -0.01 0.00 1.13 0.00 0.00 58.89 59.76 1u2t h TRP 81 Cb 1.63 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 30.01 1u2t h TRP 81 CO 0.10 0.88 -0.09 0.00 -1.03 0.00 0.00 178.44 178.30 1u2t h ALA 82 N 1.17 -0.26 -0.76 2.65 0.00 -1.44 -0.99 119.26 119.63 1u2t h ALA 82 Ca 0.17 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1u2t h ALA 82 Cb 0.46 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1u2t h ALA 82 CO 0.02 -0.56 0.50 -0.44 0.00 0.00 0.00 179.25 178.77 1u2t h ASP 83 N -0.42 0.86 -0.44 0.00 3.45 -1.21 0.14 116.42 118.80 1u2t h ASP 83 Ca -0.03 -0.02 0.00 0.00 0.43 0.00 0.00 57.03 57.42 1u2t h ASP 83 Cb 0.32 -0.21 -0.02 0.00 -0.56 0.00 0.00 39.33 38.86 1u2t h ASP 83 CO 0.04 0.62 0.29 0.22 -1.57 0.00 0.00 179.24 178.84 1u2t h TYR 84 N 1.02 0.56 0.00 4.55 3.20 -0.58 -2.55 116.97 123.17 1u2t h TYR 84 Ca 0.28 0.01 -0.13 0.00 3.14 0.00 0.00 58.73 62.03 1u2t h TYR 84 Cb -0.10 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 37.96 1u2t h TYR 84 CO -0.00 0.37 -0.62 -0.07 -1.64 0.00 0.00 178.16 176.20 1u2t h LEU 85 N 0.59 0.00 -0.67 2.82 3.38 -0.53 -3.21 115.31 117.70 1u2t h LEU 85 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1u2t h LEU 85 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1u2t h LEU 85 CO -0.03 0.62 0.00 0.28 0.09 0.00 0.00 178.44 179.40 1u2t h SER 86 N 0.00 0.00 -2.91 -0.43 0.02 -0.41 -3.40 113.55 106.42 1u2t h SER 86 Ca -0.01 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1u2t h SER 86 Cb 1.28 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.78 1u2t h SER 86 CO 0.08 0.00 1.09 -0.70 -1.14 0.00 0.00 176.83 176.16 1u2t s GLU 87 N -3.36 3.76 0.00 3.45 2.12 -0.99 -2.99 118.70 120.69 1u2t s GLU 87 Ca 0.05 1.46 0.00 0.00 0.36 0.00 0.00 54.97 56.84 1u2t s GLU 87 Cb 0.09 -4.01 0.00 0.00 0.26 0.00 0.00 34.13 30.47 1u2t s GLU 87 CO 0.52 -1.32 0.00 0.72 -0.54 0.00 0.00 175.26 174.64 1u2t n HIS 88 N 8.43 0.00 -2.41 5.30 8.25 -1.26 -5.02 115.22 128.51 1u2t n HIS 88 Ca 0.18 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.23 1u2t n HIS 88 Cb 0.46 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.53 1u2t n HIS 88 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1u2t s TRP 89 N -3.05 3.47 -0.51 4.41 -0.11 -1.16 -4.58 118.94 117.41 1u2t s TRP 89 Ca 0.00 1.51 0.03 0.00 1.22 0.00 0.00 56.10 58.86 1u2t s TRP 89 Cb 0.00 -3.38 0.15 0.00 -1.50 0.00 0.00 33.47 28.74 1u2t s TRP 89 CO 0.00 -0.99 0.33 -0.65 -4.62 0.00 0.00 176.95 171.01 1u2t s GLN 90 N -0.51 1.58 0.06 5.86 -1.52 -1.26 -4.99 119.66 118.88 1u2t s GLN 90 Ca 0.51 -2.43 -0.25 0.00 -1.95 0.00 0.00 55.36 51.23 1u2t s GLN 90 Cb -0.32 -2.53 -0.17 0.00 -0.22 0.00 0.00 33.01 29.77 1u2t s GLN 90 CO 0.37 -1.23 1.59 -0.09 -0.25 0.00 0.00 175.29 175.69 1u2t h ARG 91 N 6.15 -0.21 -0.50 2.91 2.43 -1.95 -2.86 114.38 120.36 1u2t h ARG 91 Ca 0.08 0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.36 1u2t h ARG 91 Cb 0.87 0.05 -0.10 0.00 -0.42 0.00 0.00 29.97 30.37 1u2t h ARG 91 CO 0.54 -0.05 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.22 1u2t h ASP 92 N -0.32 -1.00 0.46 -3.80 3.32 -1.96 -0.96 116.42 112.15 1u2t h ASP 92 Ca -0.02 0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1u2t h ASP 92 Cb 0.25 0.50 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1u2t h ASP 92 CO 0.04 -0.29 -0.22 0.40 -1.72 0.00 0.00 179.24 177.45 1u2t h ILE 93 N -0.17 0.55 -0.72 0.35 2.04 -2.00 -1.52 117.51 116.04 1u2t h ILE 93 Ca 0.22 -0.05 0.15 0.00 1.00 0.00 0.00 64.86 66.18 1u2t h ILE 93 Cb 0.52 0.58 -0.10 0.00 -0.74 0.00 0.00 36.82 37.08 1u2t h ILE 93 CO -0.60 0.01 0.21 -0.07 0.00 0.00 0.00 178.15 177.70 1u2t h LEU 94 N -0.64 0.10 -0.50 1.44 3.38 -1.22 -1.30 115.31 116.58 1u2t h LEU 94 Ca -0.06 0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1u2t h LEU 94 Cb 0.48 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1u2t h LEU 94 CO 0.10 0.01 0.18 -0.61 0.09 0.00 0.00 178.44 178.21 1u2t h GLN 95 N 0.32 0.76 -0.73 1.13 4.15 -1.05 -0.02 115.11 119.68 1u2t h GLN 95 Ca 0.40 -0.15 0.12 0.00 0.77 0.00 0.00 58.65 59.79 1u2t h GLN 95 Cb 0.66 -0.12 -0.08 0.00 0.21 0.00 0.00 27.48 28.15 1u2t h GLN 95 CO -0.46 0.70 0.32 0.00 -1.93 0.00 0.00 178.83 177.45 1u2t h ALA 96 N 1.03 1.02 0.09 3.38 0.00 -0.18 0.53 119.26 125.13 1u2t h ALA 96 Ca 0.16 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1u2t h ALA 96 Cb 0.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1u2t h ALA 96 CO -0.01 -0.14 -0.04 0.82 0.00 0.00 0.00 179.25 179.88 1u2t h ILE 97 N 0.51 1.10 -0.96 0.00 2.04 -0.99 -2.82 117.51 116.39 1u2t h ILE 97 Ca 0.38 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.51 1u2t h ILE 97 Cb 0.51 1.59 -0.06 0.00 -0.74 0.00 0.00 36.82 38.13 1u2t h ILE 97 CO -0.34 0.19 0.63 0.00 0.00 0.00 0.00 178.15 178.62 1u2t h ALA 98 N 0.38 1.27 -0.37 1.87 0.00 -0.28 -1.77 119.26 120.35 1u2t h ALA 98 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1u2t h ALA 98 Cb 0.40 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1u2t h ALA 98 CO 0.02 0.52 0.11 -0.44 0.00 0.00 0.00 179.25 179.46 1u2t h ASP 99 N 1.22 0.49 0.00 0.00 3.32 0.05 -2.27 116.42 119.24 1u2t h ASP 99 Ca 0.38 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.37 1u2t h ASP 99 Cb -0.02 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1u2t h ASP 99 CO -0.12 0.48 0.03 0.61 -1.72 0.00 0.00 179.24 178.53 1u2t n GLY 100 N -1.10 -0.39 3.65 2.75 0.00 -0.66 -4.52 105.19 104.91 1u2t n GLY 100 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1u2t n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u2t s PHE 101 N -2.78 3.35 0.18 1.61 0.08 -0.86 -4.96 117.98 114.61 1u2t s PHE 101 Ca 0.00 0.80 -0.08 0.00 0.12 0.00 0.00 56.93 57.76 1u2t s PHE 101 Cb 0.00 -2.72 0.06 0.00 -0.57 0.00 0.00 43.02 39.80 1u2t s PHE 101 CO 0.00 -0.16 1.59 1.49 -0.10 0.00 0.00 175.22 178.04 1u2t h GLU 102 N 7.56 0.97 0.00 0.44 4.81 -1.89 -2.83 114.58 123.64 1u2t h GLU 102 Ca -0.32 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.53 1u2t h GLU 102 Cb 1.15 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1u2t h GLU 102 CO 0.75 1.05 0.00 0.00 -0.73 0.00 0.00 179.01 180.08 1u2t n ALA 103 N -2.51 1.59 -2.83 2.92 0.00 -1.26 -4.64 120.51 113.79 1u2t n ALA 103 Ca 0.01 -0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.07 1u2t n ALA 103 Cb 0.43 -1.15 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 1u2t n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u2t s LEU 104 N -2.58 2.80 -0.09 0.00 1.43 -1.07 -1.32 118.68 117.84 1u2t s LEU 104 Ca 0.09 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 1u2t s LEU 104 Cb 0.06 -1.61 -0.00 0.00 0.03 0.00 0.00 46.19 44.67 1u2t s LEU 104 CO 0.14 0.24 -0.23 -0.75 0.23 0.00 0.00 176.35 175.98 1u2t s LYS 105 N -0.10 2.93 0.41 1.70 2.20 -0.56 -4.86 119.74 121.45 1u2t s LYS 105 Ca -0.01 -0.86 -0.27 0.00 -0.36 0.00 0.00 55.97 54.47 1u2t s LYS 105 Cb -0.14 -2.24 -0.10 0.00 -1.51 0.00 0.00 37.83 33.85 1u2t s LYS 105 CO 0.03 0.19 1.47 -2.14 -0.36 0.00 0.00 175.35 174.54 1u2t s PRO 106 N 0.32 3.94 0.64 4.03 0.02 -1.26 0.12 135.00 142.80 1u2t s PRO 106 Ca -0.18 2.53 -0.11 0.00 0.02 0.00 0.00 61.00 63.26 1u2t s PRO 106 Cb -0.18 -2.85 -0.02 0.00 0.02 0.00 0.00 34.50 31.48 1u2t s PRO 106 CO 0.08 -0.65 1.04 -0.65 -0.33 0.00 0.00 177.00 176.49 1u2t s GLN 107 N -2.24 3.37 0.54 5.54 -0.21 -0.52 -4.75 119.66 121.38 1u2t s GLN 107 Ca 0.56 0.64 -0.19 0.00 0.02 0.00 0.00 55.36 56.39 1u2t s GLN 107 Cb -0.46 -2.07 -0.10 0.00 1.00 0.00 0.00 33.01 31.38 1u2t s GLN 107 CO 0.61 -0.70 0.42 0.45 -2.12 0.00 0.00 175.29 173.95 1u2t n SER 108 N -2.81 -1.44 -0.34 5.90 2.88 -1.26 -4.80 113.62 111.75 1u2t n SER 108 Ca 0.06 0.75 0.09 0.00 -1.33 0.00 0.00 58.87 58.44 1u2t n SER 108 Cb 0.55 -1.11 0.26 0.00 -0.75 0.00 0.00 64.21 63.16 1u2t n SER 108 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1u2t h PRO 109 N 0.29 0.80 0.00 -1.46 0.11 -1.97 -0.30 132.00 129.47 1u2t h PRO 109 Ca -0.44 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1u2t h PRO 109 Cb 1.41 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1u2t h PRO 109 CO 0.47 0.53 0.00 1.28 -0.21 0.00 0.00 178.00 180.07 1u2t n LEU 110 N -4.73 0.00 -0.65 2.35 4.77 -1.26 -0.03 117.00 117.44 1u2t n LEU 110 Ca 0.20 0.02 0.08 0.00 -0.03 0.00 0.00 56.01 56.28 1u2t n LEU 110 Cb 0.45 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.59 1u2t n LEU 110 CO 0.24 -0.02 0.51 -0.62 -1.33 0.00 0.00 177.39 176.17 1u2t n GLU 111 N -1.02 1.29 -4.09 3.23 -0.58 -0.12 -4.85 120.64 114.50 1u2t n GLU 111 Ca 0.00 -1.49 -0.22 0.00 -0.42 0.00 0.00 57.16 55.03 1u2t n GLU 111 Cb 0.00 -1.31 -0.05 0.00 -0.57 0.00 0.00 31.44 29.51 1u2t n GLU 111 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1u2t s GLN 112 N -1.33 2.58 0.22 3.49 -1.52 0.95 -4.64 119.66 119.41 1u2t s GLN 112 Ca 0.19 -1.32 -0.23 0.00 -1.95 0.00 0.00 55.36 52.05 1u2t s GLN 112 Cb 0.14 -2.34 0.05 0.00 -0.22 0.00 0.00 33.01 30.63 1u2t s GLN 112 CO 0.20 0.25 0.87 0.54 -0.25 0.00 0.00 175.29 176.91 1u2t s ASN 113 N -3.83 -0.18 0.58 5.90 2.20 -0.82 -4.97 114.94 113.82 1u2t s ASN 113 Ca 0.35 -0.55 0.35 0.00 -0.94 0.00 0.00 52.86 52.07 1u2t s ASN 113 Cb -0.06 0.60 1.37 0.00 -2.00 0.00 0.00 41.25 41.16 1u2t s ASN 113 CO 0.23 -1.13 1.61 -0.65 -2.94 0.00 0.00 177.10 174.23 1u2t h PRO 114 N 2.00 0.00 0.00 3.55 0.11 -2.00 -1.14 132.00 134.52 1u2t h PRO 114 Ca -0.23 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.86 1u2t h PRO 114 Cb 1.24 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 1u2t h PRO 114 CO 0.26 0.00 -0.35 0.91 -0.21 0.00 0.00 178.00 178.61 1u2t n TRP 115 N -3.71 0.00 -3.36 0.65 8.01 -1.26 -4.79 117.44 112.98 1u2t n TRP 115 Ca 0.25 -0.90 -0.11 0.00 -1.31 0.00 0.00 57.50 55.44 1u2t n TRP 115 Cb 1.38 -0.16 -0.08 0.00 -2.01 0.00 0.00 31.31 30.44 1u2t n TRP 115 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1u2t s LYS 116 N -2.11 0.34 -0.28 -0.99 2.20 -0.43 -4.36 119.74 114.11 1u2t s LYS 116 Ca 0.28 0.37 -0.06 0.00 -0.36 0.00 0.00 55.97 56.20 1u2t s LYS 116 Cb 0.27 -0.54 0.01 0.00 -1.51 0.00 0.00 37.83 36.06 1u2t s LYS 116 CO -0.03 -0.75 0.06 0.42 -0.36 0.00 0.00 175.35 174.70 1u2t s ILE 117 N 2.51 3.83 0.09 5.43 1.01 -1.05 -1.95 121.20 131.07 1u2t s ILE 117 Ca 0.11 -0.70 0.09 0.00 0.00 0.00 0.00 60.65 60.15 1u2t s ILE 117 Cb -0.15 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 1u2t s ILE 117 CO -0.19 0.12 -0.24 -0.44 0.00 0.00 0.00 174.94 174.18 1u2t s SER 118 N 1.48 2.95 0.33 3.58 0.01 -1.26 -0.42 113.70 120.37 1u2t s SER 118 Ca 0.03 -0.67 0.05 0.00 1.31 0.00 0.00 55.95 56.67 1u2t s SER 118 Cb -0.17 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 1u2t s SER 118 CO 0.01 0.16 0.22 -0.31 0.41 0.00 0.00 173.24 173.73 1u2t s TYR 119 N -1.00 1.69 -0.06 2.43 1.51 0.15 -1.44 117.35 120.62 1u2t s TYR 119 Ca 0.11 -1.52 0.04 0.00 -1.01 0.00 0.00 57.07 54.69 1u2t s TYR 119 Cb -0.10 -0.82 -0.00 0.00 -0.11 0.00 0.00 41.96 40.93 1u2t s TYR 119 CO 0.04 -0.68 -0.20 -1.01 -1.11 0.00 0.00 175.55 172.59 1u2t s HIS 120 N -3.48 2.06 0.10 2.71 3.76 0.12 -1.63 115.29 118.91 1u2t s HIS 120 Ca 0.36 -0.69 -0.24 0.00 -0.15 0.00 0.00 55.06 54.35 1u2t s HIS 120 Cb 0.03 -1.38 -0.07 0.00 1.11 0.00 0.00 32.58 32.27 1u2t s HIS 120 CO 0.22 -0.25 0.74 -1.17 -0.85 0.00 0.00 174.74 173.42 1u2t s LEU 121 N 0.14 4.52 0.17 0.89 2.96 0.16 -1.49 118.68 126.03 1u2t s LEU 121 Ca -0.09 1.49 -0.32 0.00 -0.22 0.00 0.00 54.13 55.00 1u2t s LEU 121 Cb -0.14 -3.20 -0.11 0.00 0.50 0.00 0.00 46.19 43.24 1u2t s LEU 121 CO 0.04 0.13 1.75 -0.62 -1.32 0.00 0.00 176.35 176.33 1u2t s ASP 122 N -0.64 6.42 0.55 3.68 -1.08 -0.43 -4.82 116.67 120.34 1u2t s ASP 122 Ca 0.36 2.80 0.26 0.00 -0.52 0.00 0.00 52.55 55.45 1u2t s ASP 122 Cb -0.21 -2.59 1.45 0.00 -1.46 0.00 0.00 42.92 40.12 1u2t s ASP 122 CO 0.23 -0.97 2.00 -0.65 0.52 0.00 0.00 175.17 176.31 1u2t h PRO 123 N 7.48 0.00 -0.01 4.34 0.11 -1.92 0.65 132.00 142.65 1u2t h PRO 123 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1u2t h PRO 123 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u2t h PRO 123 CO 0.95 0.00 -0.33 1.04 -0.21 0.00 0.00 178.00 179.45 1u2t n GLN 124 N -4.17 1.19 -1.54 1.05 3.00 -1.26 -4.97 117.38 110.67 1u2t n GLN 124 Ca 0.08 -0.88 -0.29 0.00 -0.01 0.00 0.00 57.00 55.90 1u2t n GLN 124 Cb 0.56 -1.48 0.11 0.00 0.00 0.00 0.00 30.24 29.43 1u2t n GLN 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1u2t s ALA 125 N -2.42 2.07 -0.39 -1.58 0.00 0.22 -5.01 121.76 114.65 1u2t s ALA 125 Ca 0.23 -0.32 -0.17 0.00 0.00 0.00 0.00 51.96 51.70 1u2t s ALA 125 Cb 0.19 -3.08 0.01 0.00 0.00 0.00 0.00 23.12 20.23 1u2t s ALA 125 CO 0.52 -1.94 0.44 0.00 0.00 0.00 0.00 175.76 174.78 1u2t h PRO 127 N 8.61 0.00 0.00 0.00 0.11 -1.95 0.65 132.00 139.42 1u2t h PRO 127 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1u2t h PRO 127 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1u2t h PRO 127 CO 0.77 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.35 1u2t h THR 128 N 0.00 0.00 0.00 -1.15 1.35 -2.02 -1.66 112.91 109.43 1u2t h THR 128 Ca 0.38 -0.23 -0.01 0.00 -0.55 0.00 0.00 66.41 66.00 1u2t h THR 128 Cb 2.39 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 69.98 1u2t h THR 128 CO -0.00 0.00 -0.04 1.62 -0.25 0.00 0.00 175.52 176.85 1u2t h VAL 129 N 0.00 0.34 -0.39 6.82 3.04 -1.28 -0.31 116.25 124.47 1u2t h VAL 129 Ca 0.00 -0.21 -0.11 0.00 -1.01 0.00 0.00 66.70 65.38 1u2t h VAL 129 Cb 0.24 1.15 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 1u2t h VAL 129 CO 0.00 0.04 -0.18 0.40 -1.01 0.00 0.00 177.57 176.82 1u2t h ILE 130 N 0.00 1.28 -0.20 3.17 1.08 -1.51 0.11 117.51 121.44 1u2t h ILE 130 Ca -0.00 -1.31 -0.06 0.00 -0.39 0.00 0.00 64.86 63.10 1u2t h ILE 130 Cb 0.15 1.30 -0.01 0.00 -3.07 0.00 0.00 36.82 35.18 1u2t h ILE 130 CO 0.00 0.44 -0.14 0.44 -0.69 0.00 0.00 178.15 178.20 1u2t h ASP 131 N 0.61 0.32 -0.25 1.72 3.32 -1.21 0.39 116.42 121.32 1u2t h ASP 131 Ca 0.09 -0.08 -0.15 0.00 0.02 0.00 0.00 57.03 56.91 1u2t h ASP 131 Cb 0.73 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1u2t h ASP 131 CO 0.06 0.49 -0.43 1.56 -1.72 0.00 0.00 179.24 179.20 1u2t h GLN 132 N 0.31 0.74 0.30 3.56 4.20 -1.00 -2.18 115.11 121.04 1u2t h GLN 132 Ca 0.06 -0.46 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 1u2t h GLN 132 Cb 0.44 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1u2t h GLN 132 CO 0.03 1.08 -0.14 1.25 -0.67 0.00 0.00 178.83 180.37 1u2t h LEU 133 N 0.47 -0.34 -0.42 1.46 5.85 -0.16 -0.48 115.31 121.70 1u2t h LEU 133 Ca 0.02 -0.05 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1u2t h LEU 133 Cb 1.03 0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 1u2t h LEU 133 CO 0.10 -0.17 -0.30 0.74 -0.34 0.00 0.00 178.44 178.47 1u2t h THR 134 N -0.49 0.25 -0.46 1.05 2.02 -0.23 -0.18 112.91 114.87 1u2t h THR 134 Ca -0.04 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.14 1u2t h THR 134 Cb 0.37 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1u2t h THR 134 CO 0.07 0.00 0.28 -0.08 0.37 0.00 0.00 175.52 176.16 1u2t h GLU 135 N -0.22 0.62 -0.50 6.66 4.81 -1.30 0.80 114.58 125.46 1u2t h GLU 135 Ca 0.18 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 1u2t h GLU 135 Cb 0.52 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1u2t h GLU 135 CO -0.54 0.45 0.28 1.98 -0.73 0.00 0.00 179.01 180.45 1u2t h MET 136 N 0.62 0.67 -0.00 1.92 4.05 -0.32 -1.60 114.93 120.27 1u2t h MET 136 Ca 0.17 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.50 1u2t h MET 136 Cb -0.02 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.64 1u2t h MET 136 CO -0.03 0.49 -0.11 -0.07 0.23 0.00 0.00 176.91 177.41 1u2t h LEU 137 N 0.68 0.10 -0.49 3.39 3.38 -0.64 -3.33 115.31 118.41 1u2t h LEU 137 Ca 0.18 -0.77 0.10 0.00 0.09 0.00 0.00 57.88 57.47 1u2t h LEU 137 Cb 0.00 -0.03 -0.10 0.00 0.09 0.00 0.00 40.66 40.62 1u2t h LEU 137 CO -0.03 0.86 -0.17 0.11 0.09 0.00 0.00 178.44 179.30 1u2t h LYS 138 N -0.64 -0.06 0.00 1.13 1.79 -0.59 -1.26 116.57 116.94 1u2t h LYS 138 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1u2t h LYS 138 Cb 0.88 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.54 1u2t h LYS 138 CO 0.02 -0.04 0.00 0.39 -1.08 0.00 0.00 179.45 178.74 1u2t n GLU 139 N -5.38 0.18 0.12 3.15 1.02 -0.62 -1.73 120.64 117.37 1u2t n GLU 139 Ca 0.04 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.30 1u2t n GLU 139 Cb 0.29 -1.29 0.17 0.00 -0.02 0.00 0.00 31.44 30.59 1u2t n GLU 139 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1u2t h THR 140 N 0.00 0.00 0.00 2.62 1.35 -1.37 -3.47 112.91 112.04 1u2t h THR 140 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1u2t h THR 140 Cb 0.00 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1u2t h THR 140 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1u2t n GLY 141 N 1.24 1.42 3.69 5.82 0.00 -0.71 -5.02 105.19 111.63 1u2t n GLY 141 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1u2t n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u2t s ILE 142 N -2.41 4.71 -0.98 -0.61 1.01 -1.26 -4.92 121.20 116.74 1u2t s ILE 142 Ca 0.00 1.97 -0.26 0.00 0.00 0.00 0.00 60.65 62.36 1u2t s ILE 142 Cb 0.00 -4.27 -0.16 0.00 0.01 0.00 0.00 42.46 38.04 1u2t s ILE 142 CO 0.00 0.03 2.18 -2.16 0.00 0.00 0.00 174.94 174.99 1u2t s PRO 143 N 1.85 1.59 0.21 2.79 0.04 -1.26 -4.79 135.00 135.43 1u2t s PRO 143 Ca 0.50 -0.18 0.09 0.00 0.04 0.00 0.00 61.00 61.45 1u2t s PRO 143 Cb -0.20 -4.95 -0.04 0.00 0.04 0.00 0.00 34.50 29.35 1u2t s PRO 143 CO 0.20 -4.78 -0.05 0.54 0.04 0.00 0.00 177.00 172.95 1u2t s VAL 144 N 14.97 3.33 -0.04 -0.36 0.11 -1.26 -1.09 120.40 136.05 1u2t s VAL 144 Ca 0.83 -1.74 -0.01 0.00 -2.93 0.00 0.00 61.98 58.13 1u2t s VAL 144 Cb -0.07 -2.70 0.03 0.00 -1.53 0.00 0.00 36.38 32.10 1u2t s VAL 144 CO 0.12 -0.21 0.02 -1.58 -3.33 0.00 0.00 175.10 170.12 1u2t s GLN 145 N -3.16 0.21 -0.17 1.54 0.74 0.17 -4.54 119.66 114.45 1u2t s GLN 145 Ca 0.28 0.19 -0.12 0.00 0.05 0.00 0.00 55.36 55.75 1u2t s GLN 145 Cb -0.08 -0.57 -0.05 0.00 1.10 0.00 0.00 33.01 33.42 1u2t s GLN 145 CO 0.17 -0.23 0.23 0.08 -0.55 0.00 0.00 175.29 174.99 1u2t s VAL 146 N 1.57 5.35 -0.17 1.34 1.01 -1.26 -1.14 120.40 127.10 1u2t s VAL 146 Ca -0.02 0.41 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1u2t s VAL 146 Cb -0.13 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.69 1u2t s VAL 146 CO -0.03 0.41 -0.17 -0.63 0.00 0.00 0.00 175.10 174.68 1u2t s ILE 147 N 0.41 2.45 -0.19 2.22 1.01 0.17 -4.95 121.20 122.32 1u2t s ILE 147 Ca 0.13 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1u2t s ILE 147 Cb -0.12 -2.04 0.02 0.00 0.01 0.00 0.00 42.46 40.34 1u2t s ILE 147 CO 0.02 0.52 -0.19 0.12 0.00 0.00 0.00 174.94 175.40 1u2t s PHE 148 N 1.03 2.79 0.06 3.97 5.99 -1.26 0.36 117.98 130.91 1u2t s PHE 148 Ca -0.01 -1.69 0.01 0.00 0.00 0.00 0.00 56.93 55.24 1u2t s PHE 148 Cb -0.15 -1.91 -0.03 0.00 0.00 0.00 0.00 43.02 40.94 1u2t s PHE 148 CO -0.04 -0.81 -0.05 -1.54 -0.00 0.00 0.00 175.22 172.77 1u2t s SER 149 N 1.28 0.75 -1.47 6.13 1.04 -0.57 -4.27 113.70 116.61 1u2t s SER 149 Ca 0.04 -0.78 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1u2t s SER 149 Cb -0.14 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1u2t s SER 149 CO -0.12 -0.39 0.00 -1.20 0.98 0.00 0.00 173.24 172.51 1u2t n SER 150 N 0.71 -4.82 -0.23 7.02 7.64 -1.26 -1.65 113.62 121.03 1u2t n SER 150 Ca -0.18 0.34 -0.03 0.00 1.01 0.00 0.00 58.87 60.01 1u2t n SER 150 Cb 0.58 -3.97 -0.01 0.00 -1.01 0.00 0.00 64.21 59.80 1u2t n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u2t n GLY 151 N -0.06 0.39 0.00 0.23 0.00 -1.26 -4.65 105.19 99.84 1u2t n GLY 151 Ca -0.14 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1u2t n GLY 151 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1u2t n LYS 152 N -0.33 0.32 -2.98 1.61 2.85 -0.93 -4.82 118.16 113.87 1u2t n LYS 152 Ca -0.03 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.82 1u2t n LYS 152 Cb 0.42 -0.32 -0.05 0.00 -0.65 0.00 0.00 35.03 34.43 1u2t n LYS 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1u2t s ASP 153 N -0.92 6.78 -0.20 -5.58 1.01 -0.66 0.39 116.67 117.49 1u2t s ASP 153 Ca 0.00 0.96 -0.01 0.00 0.71 0.00 0.00 52.55 54.20 1u2t s ASP 153 Cb 0.00 -2.40 0.01 0.00 1.01 0.00 0.00 42.92 41.54 1u2t s ASP 153 CO 0.00 -0.41 -0.13 -0.69 0.21 0.00 0.00 175.17 174.15 1u2t s VAL 154 N 2.43 2.65 -0.12 -1.27 1.01 -0.65 -1.51 120.40 122.95 1u2t s VAL 154 Ca 0.32 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.60 1u2t s VAL 154 Cb -0.16 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1u2t s VAL 154 CO 0.09 0.49 -0.22 -1.81 0.00 0.00 0.00 175.10 173.65 1u2t s ASP 155 N 1.35 3.02 -0.43 3.32 1.01 0.16 -0.67 116.67 124.42 1u2t s ASP 155 Ca 0.05 -0.56 -0.12 0.00 0.71 0.00 0.00 52.55 52.63 1u2t s ASP 155 Cb -0.14 -1.39 0.07 0.00 1.01 0.00 0.00 42.92 42.47 1u2t s ASP 155 CO -0.08 0.11 0.30 -0.76 0.21 0.00 0.00 175.17 174.95 1u2t s LEU 156 N 0.58 5.24 0.35 1.23 1.02 0.44 0.41 118.68 127.95 1u2t s LEU 156 Ca -0.13 -1.34 0.08 0.00 0.02 0.00 0.00 54.13 52.76 1u2t s LEU 156 Cb -0.17 -2.07 -0.07 0.00 0.02 0.00 0.00 46.19 43.91 1u2t s LEU 156 CO 0.04 -0.55 -0.05 -0.76 0.02 0.00 0.00 176.35 175.05 1u2t s LEU 157 N 1.53 2.70 0.69 1.79 1.43 -0.29 -2.53 118.68 124.00 1u2t s LEU 157 Ca 0.03 -1.26 -0.15 0.00 -1.03 0.00 0.00 54.13 51.72 1u2t s LEU 157 Cb -0.23 -0.87 0.02 0.00 0.03 0.00 0.00 46.19 45.14 1u2t s LEU 157 CO 0.05 -0.33 1.14 -2.84 0.23 0.00 0.00 176.35 174.61 1u2t s PRO 158 N -3.68 2.52 0.37 1.29 0.02 -1.26 0.42 135.00 134.69 1u2t s PRO 158 Ca 0.33 1.52 0.07 0.00 0.02 0.00 0.00 61.00 62.94 1u2t s PRO 158 Cb 0.05 -1.90 0.78 0.00 0.02 0.00 0.00 34.50 33.44 1u2t s PRO 158 CO 0.16 -1.49 1.96 1.96 -0.33 0.00 0.00 177.00 179.26 1u2t h GLN 159 N -0.13 0.69 0.00 5.54 1.08 -1.35 -1.56 115.11 119.38 1u2t h GLN 159 Ca -0.47 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 56.69 1u2t h GLN 159 Cb 1.26 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 1u2t h GLN 159 CO 0.52 0.46 0.00 0.54 -0.95 0.00 0.00 178.83 179.40 1u2t n ARG 160 N -4.48 0.54 -0.03 1.46 1.74 -1.26 -4.80 116.66 109.83 1u2t n ARG 160 Ca 0.11 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.22 1u2t n ARG 160 Cb 0.25 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.19 1u2t n ARG 160 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1u2t n SER 161 N -1.13 0.14 0.00 0.55 2.88 -0.59 -4.70 113.62 110.76 1u2t n SER 161 Ca 0.14 -0.03 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 1u2t n SER 161 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 1u2t n SER 161 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1u2t n ASN 162 N -0.08 -0.10 -0.33 -3.46 6.94 -1.09 -4.35 115.26 112.80 1u2t n ASN 162 Ca 0.00 0.00 0.26 0.00 -0.02 0.00 0.00 54.58 54.82 1u2t n ASN 162 Cb 0.00 0.43 0.50 0.00 -2.36 0.00 0.00 39.78 38.34 1u2t n ASN 162 CO 0.00 0.00 0.00 0.11 -1.03 0.00 0.00 177.26 176.34 1u2t h LYS 163 N 0.00 0.11 0.20 -3.83 1.57 -1.72 -1.48 116.57 111.42 1u2t h LYS 163 Ca 0.00 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1u2t h LYS 163 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1u2t h LYS 163 CO 0.00 0.07 -0.10 0.78 -0.57 0.00 0.00 179.45 179.63 1u2t h GLY 164 N 0.11 -0.28 1.29 3.86 0.00 -1.85 -1.15 103.07 105.05 1u2t h GLY 164 Ca 0.76 0.10 -0.04 0.00 0.00 0.00 0.00 47.33 48.16 1u2t h GLY 164 CO -0.73 -0.10 0.21 3.43 0.00 0.00 0.00 176.54 179.35 1u2t h ASN 165 N -0.53 0.83 -0.97 0.19 2.35 -1.57 0.29 115.58 116.17 1u2t h ASN 165 Ca -0.03 -0.13 0.01 0.00 -0.55 0.00 0.00 56.30 55.61 1u2t h ASN 165 Cb 0.40 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.50 1u2t h ASN 165 CO 0.05 0.77 0.64 0.00 -1.65 0.00 0.00 177.43 177.24 1u2t h ALA 166 N 1.35 1.24 -0.15 -0.83 0.00 -1.24 0.72 119.26 120.35 1u2t h ALA 166 Ca 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1u2t h ALA 166 Cb 0.22 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1u2t h ALA 166 CO -0.01 0.61 0.01 1.15 0.00 0.00 0.00 179.25 181.01 1u2t h THR 167 N 1.31 1.25 -0.73 0.00 2.02 -0.17 -1.53 112.91 115.06 1u2t h THR 167 Ca 0.36 -0.81 0.03 0.00 0.77 0.00 0.00 66.41 66.76 1u2t h THR 167 Cb -0.14 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1u2t h THR 167 CO -0.08 0.24 0.47 1.56 0.37 0.00 0.00 175.52 178.07 1u2t h GLN 168 N 0.02 0.89 -0.12 6.66 4.20 -0.51 0.92 115.11 127.17 1u2t h GLN 168 Ca 0.04 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.74 1u2t h GLN 168 Cb 0.36 -0.20 -0.04 0.00 0.30 0.00 0.00 27.48 27.90 1u2t h GLN 168 CO 0.01 0.59 -0.11 -0.92 -0.67 0.00 0.00 178.83 177.73 1u2t h TYR 169 N 0.92 -0.27 -0.84 2.96 3.20 -0.73 -1.70 116.97 120.52 1u2t h TYR 169 Ca 0.29 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 1u2t h TYR 169 Cb -0.01 0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.36 1u2t h TYR 169 CO -0.03 -0.16 0.50 1.25 -1.64 0.00 0.00 178.16 178.07 1u2t h LEU 170 N -0.13 1.01 -0.05 2.82 5.85 -0.61 -0.98 115.31 123.22 1u2t h LEU 170 Ca 0.08 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1u2t h LEU 170 Cb 0.25 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1u2t h LEU 170 CO -0.20 0.79 -0.03 1.56 -0.34 0.00 0.00 178.44 180.21 1u2t h GLN 171 N 1.16 -0.03 -0.61 1.25 4.20 -0.23 -0.10 115.11 120.75 1u2t h GLN 171 Ca 0.30 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 1u2t h GLN 171 Cb -0.03 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 27.72 1u2t h GLN 171 CO -0.05 -0.02 0.34 1.96 -0.67 0.00 0.00 178.83 180.39 1u2t h GLN 172 N -0.03 0.85 -0.71 1.46 4.20 -1.02 0.25 115.11 120.10 1u2t h GLN 172 Ca 0.03 -0.09 0.04 0.00 0.06 0.00 0.00 58.65 58.69 1u2t h GLN 172 Cb 0.07 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1u2t h GLN 172 CO -0.07 0.64 0.44 1.25 -0.67 0.00 0.00 178.83 180.41 1u2t h HIS 173 N 0.83 0.81 -0.01 2.96 -0.00 -0.65 -2.24 115.15 116.85 1u2t h HIS 173 Ca 0.22 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1u2t h HIS 173 Cb 0.03 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.17 1u2t h HIS 173 CO -0.01 0.45 -0.26 1.28 -0.00 0.00 0.00 177.93 179.39 1u2t n LEU 174 N -4.68 0.95 -3.32 0.26 4.77 -0.10 -4.96 117.00 109.92 1u2t n LEU 174 Ca 0.08 -0.22 -0.16 0.00 -0.03 0.00 0.00 56.01 55.68 1u2t n LEU 174 Cb 0.11 -0.14 0.08 0.00 -2.33 0.00 0.00 43.42 41.15 1u2t n LEU 174 CO 0.32 0.18 0.09 0.00 -1.33 0.00 0.00 177.39 176.65 1u2t n ALA 175 N -0.72 -2.02 -2.60 -1.18 0.00 0.69 -4.17 120.51 110.50 1u2t n ALA 175 Ca 0.12 -0.03 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 1u2t n ALA 175 Cb 0.34 -2.86 -0.10 0.00 0.00 0.00 0.00 19.45 16.83 1u2t n ALA 175 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1u2t s MET 176 N -5.16 2.54 0.23 0.00 1.00 -0.07 -4.73 119.30 113.11 1u2t s MET 176 Ca 0.07 -0.74 -0.14 0.00 0.00 0.00 0.00 55.69 54.88 1u2t s MET 176 Cb -0.01 -2.50 -0.08 0.00 0.00 0.00 0.00 34.83 32.25 1u2t s MET 176 CO 0.71 0.60 0.63 -1.21 0.00 0.00 0.00 175.02 175.74 1u2t s GLU 177 N -1.48 3.98 0.39 2.03 0.41 -1.26 -4.62 118.70 118.15 1u2t s GLU 177 Ca 0.17 0.54 0.12 0.00 -0.41 0.00 0.00 54.97 55.39 1u2t s GLU 177 Cb -0.11 -2.70 0.91 0.00 -1.78 0.00 0.00 34.13 30.46 1u2t s GLU 177 CO 0.08 0.32 1.91 -1.35 -0.49 0.00 0.00 175.26 175.73 1u2t h PRO 178 N 2.86 0.56 0.00 0.39 0.11 -1.94 0.35 132.00 134.33 1u2t h PRO 178 Ca -0.48 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1u2t h PRO 178 Cb 1.18 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1u2t h PRO 178 CO 0.67 0.37 -0.06 0.66 -0.21 0.00 0.00 178.00 179.42 1u2t h SER 179 N 0.57 0.00 -0.45 -2.05 4.64 -1.93 -1.16 113.55 113.17 1u2t h SER 179 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1u2t h SER 179 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1u2t h SER 179 CO -0.15 0.06 0.00 0.00 -0.87 0.00 0.00 176.83 175.87 1u2t n GLN 180 N -3.56 2.45 -4.36 4.77 6.02 0.12 -4.86 117.38 117.96 1u2t n GLN 180 Ca -0.02 -2.21 -0.32 0.00 -0.01 0.00 0.00 57.00 54.44 1u2t n GLN 180 Cb 0.17 -1.51 -0.10 0.00 1.02 0.00 0.00 30.24 29.83 1u2t n GLN 180 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1u2t s THR 181 N -1.42 3.74 -0.07 5.09 2.01 -0.44 -1.24 115.64 123.32 1u2t s THR 181 Ca 0.40 -0.84 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 1u2t s THR 181 Cb 0.23 -2.67 0.03 0.00 0.01 0.00 0.00 72.50 70.09 1u2t s THR 181 CO 0.31 0.32 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.32 1u2t s LEU 182 N -1.65 0.84 -0.06 4.42 2.96 -0.91 -1.00 118.68 123.29 1u2t s LEU 182 Ca 0.19 -0.11 -0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1u2t s LEU 182 Cb -0.11 -0.47 -0.03 0.00 0.50 0.00 0.00 46.19 46.07 1u2t s LEU 182 CO 0.10 -0.15 -0.03 0.68 -1.32 0.00 0.00 176.35 175.64 1u2t s VAL 183 N 1.66 4.04 -0.04 1.68 -7.23 0.84 -0.83 120.40 120.52 1u2t s VAL 183 Ca 0.01 -0.42 0.05 0.00 -1.81 0.00 0.00 61.98 59.80 1u2t s VAL 183 Cb -0.13 -2.71 -0.01 0.00 0.56 0.00 0.00 36.38 34.10 1u2t s VAL 183 CO -0.04 0.55 -0.18 0.00 -0.31 0.00 0.00 175.10 175.11 1u2t s GLY 185 N -0.13 0.16 0.00 0.00 0.00 -1.04 -2.13 107.32 104.19 1u2t s GLY 185 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 44.72 44.25 1u2t s GLY 185 CO 0.01 0.64 0.00 2.09 0.00 0.00 0.00 173.10 175.84 1u2t n ASP 186 N -1.13 0.00 -1.93 1.64 3.85 -1.26 -2.58 116.55 115.14 1u2t n ASP 186 Ca -0.06 0.00 -0.00 0.00 -0.71 0.00 0.00 54.79 54.02 1u2t n ASP 186 Cb 0.60 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.37 1u2t n ASP 186 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1u2t n SER 187 N 0.00 1.85 0.23 -1.12 3.41 -1.26 0.55 113.62 117.29 1u2t n SER 187 Ca 0.00 -1.00 0.10 0.00 -0.26 0.00 0.00 58.87 57.71 1u2t n SER 187 Cb 0.00 0.00 0.55 0.00 -0.26 0.00 0.00 64.21 64.50 1u2t n SER 187 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1u2t h GLY 188 N 0.00 0.00 0.24 5.00 0.00 -1.92 -1.97 103.07 104.42 1u2t h GLY 188 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u2t h GLY 188 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.70 1u2t n ASN 189 N -3.60 0.30 -0.00 0.19 0.23 -1.26 -2.72 115.26 108.39 1u2t n ASN 189 Ca -0.01 -1.56 0.08 0.00 -0.53 0.00 0.00 54.58 52.55 1u2t n ASN 189 Cb 0.35 -0.02 -0.11 0.00 -2.08 0.00 0.00 39.78 37.92 1u2t n ASN 189 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1u2t n ASP 190 N -0.55 1.13 -0.33 0.53 10.43 -0.74 -4.51 116.55 122.51 1u2t n ASP 190 Ca 0.12 -0.37 0.10 0.00 2.57 0.00 0.00 54.79 57.21 1u2t n ASP 190 Cb 0.10 1.41 0.27 0.00 1.84 0.00 0.00 41.12 44.74 1u2t n ASP 190 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1u2t h ILE 191 N 0.00 0.72 -0.03 0.53 2.04 -1.52 0.21 117.51 119.46 1u2t h ILE 191 Ca 0.00 -0.24 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1u2t h ILE 191 Cb 0.56 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1u2t h ILE 191 CO 0.00 0.13 0.04 1.23 0.00 0.00 0.00 178.15 179.55 1u2t h GLY 192 N 0.70 0.00 0.74 5.37 0.00 -1.79 -1.23 103.07 106.85 1u2t h GLY 192 Ca 0.52 0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.74 1u2t h GLY 192 CO -0.37 0.00 -0.38 1.41 0.00 0.00 0.00 176.54 177.20 1u2t h LEU 193 N 0.00 0.46 -0.56 3.11 3.38 -0.87 -3.15 115.31 117.68 1u2t h LEU 193 Ca 0.02 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.33 1u2t h LEU 193 Cb 0.11 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1u2t h LEU 193 CO -0.00 1.04 0.00 -0.26 0.09 0.00 0.00 178.44 179.31 1u2t h PHE 194 N -0.08 0.00 0.00 1.13 -1.00 -1.21 -1.21 116.94 114.56 1u2t h PHE 194 Ca -0.03 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.75 1u2t h PHE 194 Cb 1.03 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.59 1u2t h PHE 194 CO 0.13 0.00 0.00 0.93 -1.61 0.00 0.00 178.31 177.76 1u2t h GLU 195 N 0.00 0.00 -7.35 1.51 5.08 -1.23 -3.44 114.58 109.15 1u2t h GLU 195 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 1u2t h GLU 195 Cb 0.52 0.00 0.13 0.00 0.50 0.00 0.00 28.75 29.90 1u2t h GLU 195 CO 0.00 0.00 0.30 0.99 -1.00 0.00 0.00 179.01 179.30 1u2t s THR 196 N -3.29 3.05 -1.81 1.13 2.01 -0.46 -4.95 115.64 111.33 1u2t s THR 196 Ca 0.06 0.34 0.11 0.00 0.31 0.00 0.00 61.69 62.52 1u2t s THR 196 Cb 0.10 -2.93 0.35 0.00 0.01 0.00 0.00 72.50 70.03 1u2t s THR 196 CO 0.53 -0.45 1.27 -1.54 -0.69 0.00 0.00 174.62 173.74 1u2t n SER 197 N -3.60 2.27 -4.89 3.53 3.41 -1.26 -4.92 113.62 108.15 1u2t n SER 197 Ca 0.07 -2.07 -0.28 0.00 -0.26 0.00 0.00 58.87 56.34 1u2t n SER 197 Cb 0.55 -0.31 0.08 0.00 -0.26 0.00 0.00 64.21 64.28 1u2t n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u2t s ALA 198 N -1.54 2.81 0.49 7.33 0.00 -1.26 -4.59 121.76 125.00 1u2t s ALA 198 Ca 0.26 -0.75 -0.20 0.00 0.00 0.00 0.00 51.96 51.27 1u2t s ALA 198 Cb 0.15 -2.84 -0.08 0.00 0.00 0.00 0.00 23.12 20.35 1u2t s ALA 198 CO 0.16 -1.57 1.03 1.03 0.00 0.00 0.00 175.76 176.42 1u2t s ARG 199 N -5.48 3.80 0.03 0.00 3.00 -0.17 -4.86 118.95 115.27 1u2t s ARG 199 Ca 0.62 1.32 -0.01 0.00 0.00 0.00 0.00 55.73 57.66 1u2t s ARG 199 Cb -0.11 -2.10 -0.03 0.00 0.00 0.00 0.00 34.95 32.72 1u2t s ARG 199 CO 0.48 -0.43 -0.02 0.20 0.00 0.00 0.00 175.30 175.53 1u2t s GLY 200 N -2.07 0.31 -0.07 -3.53 0.00 0.23 -0.11 107.32 102.07 1u2t s GLY 200 Ca 0.66 -0.79 0.01 0.00 0.00 0.00 0.00 44.72 44.60 1u2t s GLY 200 CO 0.21 -0.88 -0.06 0.54 0.00 0.00 0.00 173.10 172.90 1u2t s VAL 201 N -2.36 0.76 -0.35 1.40 0.11 0.56 -0.74 120.40 119.78 1u2t s VAL 201 Ca -0.08 -0.20 -0.12 0.00 -2.93 0.00 0.00 61.98 58.66 1u2t s VAL 201 Cb -0.03 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 1u2t s VAL 201 CO -0.04 0.30 0.21 -0.63 -3.33 0.00 0.00 175.10 171.60 1u2t s ILE 202 N 1.23 4.86 0.61 7.04 1.01 -0.07 -2.48 121.20 133.40 1u2t s ILE 202 Ca -0.05 -0.52 -0.19 0.00 0.00 0.00 0.00 60.65 59.89 1u2t s ILE 202 Cb -0.14 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1u2t s ILE 202 CO -0.02 -0.08 1.12 1.33 0.00 0.00 0.00 174.94 177.29 1u2t n VAL 203 N 5.04 4.12 -0.09 2.92 0.24 -1.06 -1.66 118.33 127.83 1u2t n VAL 203 Ca -0.13 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.34 61.61 1u2t n VAL 203 Cb 0.48 -1.32 -0.00 0.00 -1.47 0.00 0.00 33.84 31.53 1u2t n VAL 203 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1u2t h ARG 204 N 0.63 0.01 -0.87 7.34 1.12 -0.95 -1.49 114.38 120.17 1u2t h ARG 204 Ca -0.49 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.37 1u2t h ARG 204 Cb 1.35 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.31 1u2t h ARG 204 CO 0.52 0.01 0.00 0.27 -3.11 0.00 0.00 179.97 177.66 1u2t n ASN 205 N -5.25 1.08 -4.70 -3.80 6.94 -1.26 -4.91 115.26 103.35 1u2t n ASN 205 Ca 0.00 -1.34 -0.36 0.00 -0.02 0.00 0.00 54.58 52.86 1u2t n ASN 205 Cb 0.18 -0.34 0.08 0.00 -2.36 0.00 0.00 39.78 37.34 1u2t n ASN 205 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1u2t n ALA 206 N 0.32 0.75 -1.50 -2.53 0.00 -0.56 -4.99 120.51 112.00 1u2t n ALA 206 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1u2t n ALA 206 Cb 0.22 -2.27 0.05 0.00 0.00 0.00 0.00 19.45 17.45 1u2t n ALA 206 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1u2t s GLN 207 N -3.41 2.82 0.30 0.00 -1.52 0.19 -4.86 119.66 113.18 1u2t s GLN 207 Ca 0.80 1.17 0.03 0.00 -1.95 0.00 0.00 55.36 55.41 1u2t s GLN 207 Cb -0.37 -1.97 0.61 0.00 -0.22 0.00 0.00 33.01 31.07 1u2t s GLN 207 CO 0.43 -1.21 1.85 -1.35 -0.25 0.00 0.00 175.29 174.77 1u2t h PRO 208 N -0.39 0.90 -0.47 2.91 0.11 -1.94 -2.25 132.00 130.89 1u2t h PRO 208 Ca -0.45 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.51 1u2t h PRO 208 Cb 1.23 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1u2t h PRO 208 CO 0.55 0.60 -0.11 0.93 -0.21 0.00 0.00 178.00 179.76 1u2t h GLU 209 N 0.93 0.85 -0.15 1.05 3.07 -1.93 0.24 114.58 118.64 1u2t h GLU 209 Ca 0.47 -0.29 -0.05 0.00 -0.50 0.00 0.00 59.36 59.00 1u2t h GLU 209 Cb 0.51 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 28.35 1u2t h GLU 209 CO -0.24 0.92 -0.08 1.25 -1.40 0.00 0.00 179.01 179.46 1u2t h LEU 210 N 0.77 0.34 -1.06 1.33 5.85 -1.69 0.62 115.31 121.46 1u2t h LEU 210 Ca 0.13 -0.42 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1u2t h LEU 210 Cb 0.62 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1u2t h LEU 210 CO 0.04 0.68 0.40 -0.07 -0.34 0.00 0.00 178.44 179.15 1u2t h LEU 211 N -0.01 0.95 -0.70 2.25 3.38 -1.29 0.18 115.31 120.06 1u2t h LEU 211 Ca 0.03 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1u2t h LEU 211 Cb 0.56 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1u2t h LEU 211 CO 0.02 0.77 0.21 -0.74 0.09 0.00 0.00 178.44 178.79 1u2t h HIS 212 N 1.06 1.15 -0.11 1.13 2.76 -0.30 -2.04 115.15 118.81 1u2t h HIS 212 Ca 0.27 -0.12 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1u2t h HIS 212 Cb 0.05 -0.33 -0.00 0.00 1.55 0.00 0.00 27.41 28.67 1u2t h HIS 212 CO 0.01 0.92 0.05 2.35 -1.30 0.00 0.00 177.93 179.96 1u2t h TRP 213 N 1.04 0.16 -0.56 5.26 7.01 0.06 -3.02 115.95 125.90 1u2t h TRP 213 Ca 0.23 -0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.33 1u2t h TRP 213 Cb 0.32 -0.05 -0.09 0.00 -2.10 0.00 0.00 29.16 27.24 1u2t h TRP 213 CO 0.03 0.23 -0.01 -0.92 -2.79 0.00 0.00 178.44 174.98 1u2t h TYR 214 N 0.04 -0.05 -0.89 2.65 5.03 -0.36 0.25 116.97 123.65 1u2t h TYR 214 Ca 0.04 0.04 0.13 0.00 2.58 0.00 0.00 58.73 61.52 1u2t h TYR 214 Cb 0.13 0.11 -0.07 0.00 1.55 0.00 0.00 36.73 38.45 1u2t h TYR 214 CO -0.03 -0.14 0.57 -0.44 -1.32 0.00 0.00 178.16 176.80 1u2t h ASP 215 N 0.11 0.70 0.16 -2.11 5.19 -1.25 0.91 116.42 120.13 1u2t h ASP 215 Ca 0.29 0.04 -0.36 0.00 -0.62 0.00 0.00 57.03 56.37 1u2t h ASP 215 Cb 0.45 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.84 1u2t h ASP 215 CO -0.48 0.37 -1.93 1.56 -3.12 0.00 0.00 179.24 175.65 1u2t h GLN 216 N 0.75 0.29 0.00 3.56 4.20 -1.17 -3.42 115.11 119.33 1u2t h GLN 216 Ca 0.44 -0.50 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1u2t h GLN 216 Cb 0.61 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.58 1u2t h GLN 216 CO -0.20 1.22 -0.42 0.91 -0.67 0.00 0.00 178.83 179.68 1u2t n TRP 217 N -3.50 0.00 -1.61 2.96 7.02 0.77 -5.04 117.44 118.04 1u2t n TRP 217 Ca -0.30 0.00 -0.52 0.00 -1.02 0.00 0.00 57.50 55.67 1u2t n TRP 217 Cb 1.06 -0.02 -0.06 0.00 -2.42 0.00 0.00 31.31 29.87 1u2t n TRP 217 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1u2t n GLY 218 N 1.29 0.60 0.00 6.99 0.00 0.32 -4.98 105.19 109.41 1u2t n GLY 218 Ca 0.01 0.72 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1u2t n GLY 218 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u2t n ASP 219 N 2.93 1.29 0.03 1.61 -0.08 -1.26 -4.97 116.55 116.10 1u2t n ASP 219 Ca 0.19 0.00 0.13 0.00 -1.51 0.00 0.00 54.79 53.60 1u2t n ASP 219 Cb 0.20 0.00 0.48 0.00 2.34 0.00 0.00 41.12 44.14 1u2t n ASP 219 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1u2t n SER 220 N 0.00 0.33 -0.47 1.67 3.41 -1.26 -2.98 113.62 114.32 1u2t n SER 220 Ca 0.00 0.39 0.13 0.00 -0.26 0.00 0.00 58.87 59.13 1u2t n SER 220 Cb 0.00 -0.42 0.43 0.00 -0.26 0.00 0.00 64.21 63.96 1u2t n SER 220 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1u2t n ARG 221 N -1.74 1.52 -3.62 4.33 1.85 -1.26 -4.80 116.66 112.93 1u2t n ARG 221 Ca 0.06 -0.95 -0.39 0.00 -1.00 0.00 0.00 57.85 55.57 1u2t n ARG 221 Cb 0.37 -1.48 -0.11 0.00 -1.05 0.00 0.00 32.46 30.19 1u2t n ARG 221 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1u2t s HIS 222 N -2.14 3.20 -0.20 2.89 3.76 -1.16 -0.60 115.29 121.04 1u2t s HIS 222 Ca 0.33 -0.46 -0.06 0.00 -0.15 0.00 0.00 55.06 54.72 1u2t s HIS 222 Cb 0.20 -2.39 -0.03 0.00 1.11 0.00 0.00 32.58 31.47 1u2t s HIS 222 CO 0.38 -0.42 0.03 -0.47 -0.85 0.00 0.00 174.74 173.41 1u2t s TYR 223 N 1.65 3.11 -0.60 1.40 6.14 0.08 -4.80 117.35 124.32 1u2t s TYR 223 Ca 0.05 -0.25 -0.21 0.00 0.64 0.00 0.00 57.07 57.30 1u2t s TYR 223 Cb -0.17 -2.10 0.07 0.00 0.42 0.00 0.00 41.96 40.18 1u2t s TYR 223 CO 0.08 -0.11 0.83 1.03 0.64 0.00 0.00 175.55 178.02 1u2t s ARG 224 N 0.85 3.12 0.63 4.97 0.52 -1.26 -0.89 118.95 126.89 1u2t s ARG 224 Ca 0.02 -0.90 -0.19 0.00 -0.52 0.00 0.00 55.73 54.14 1u2t s ARG 224 Cb -0.14 -4.19 -0.02 0.00 0.52 0.00 0.00 34.95 31.12 1u2t s ARG 224 CO 0.02 -1.59 1.27 0.00 0.02 0.00 0.00 175.30 175.02 1u2t n ALA 225 N 7.02 1.12 0.12 2.13 0.00 -0.67 -4.90 120.51 125.33 1u2t n ALA 225 Ca -0.05 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1u2t n ALA 225 Cb 0.45 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.60 1u2t n ALA 225 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1u2t h GLN 226 N 0.64 0.00 -6.27 0.00 4.15 -1.94 -3.33 115.11 108.36 1u2t h GLN 226 Ca -0.51 0.00 -0.45 0.00 0.77 0.00 0.00 58.65 58.46 1u2t h GLN 226 Cb 1.34 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.03 1u2t h GLN 226 CO 0.53 0.00 -0.38 -1.12 -1.93 0.00 0.00 178.83 175.93 1u2t s SER 227 N -5.41 6.09 0.29 -0.69 0.01 -1.26 -4.79 113.70 107.94 1u2t s SER 227 Ca 0.00 -0.09 0.09 0.00 1.31 0.00 0.00 55.95 57.26 1u2t s SER 227 Cb 0.09 -1.48 -0.04 0.00 0.21 0.00 0.00 66.02 64.80 1u2t s SER 227 CO 0.78 -0.28 0.03 -0.94 0.41 0.00 0.00 173.24 173.24 1u2t s SER 228 N -4.09 4.57 0.56 2.44 1.04 -1.26 -0.57 113.70 116.39 1u2t s SER 228 Ca 0.40 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1u2t s SER 228 Cb -0.09 -0.81 0.00 0.00 0.10 0.00 0.00 66.02 65.22 1u2t s SER 228 CO 0.30 -0.08 0.00 1.41 0.98 0.00 0.00 173.24 175.85 1u2t n HIS 229 N -0.96 -0.27 -0.37 5.02 8.25 -1.25 -2.68 115.22 122.96 1u2t n HIS 229 Ca -0.06 0.00 0.35 0.00 -0.26 0.00 0.00 57.72 57.75 1u2t n HIS 229 Cb 0.60 0.08 0.62 0.00 1.12 0.00 0.00 29.99 32.41 1u2t n HIS 229 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u2t h ALA 230 N -0.56 2.38 -0.99 -1.41 0.00 -0.09 0.28 119.26 118.87 1u2t h ALA 230 Ca 0.00 0.23 0.19 0.00 0.00 0.00 0.00 54.91 55.32 1u2t h ALA 230 Cb 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 1u2t h ALA 230 CO 0.00 -1.14 0.61 0.78 0.00 0.00 0.00 179.25 179.51 1u2t h GLY 231 N 0.01 1.59 0.81 0.00 0.00 -1.77 0.14 103.07 103.85 1u2t h GLY 231 Ca 0.86 -0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.91 1u2t h GLY 231 CO -0.67 -0.03 0.64 0.00 0.00 0.00 0.00 176.54 176.48 1u2t h ALA 232 N 1.63 1.34 -0.61 3.60 0.00 -0.48 -1.04 119.26 123.69 1u2t h ALA 232 Ca 0.55 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.37 1u2t h ALA 232 Cb 0.92 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 1u2t h ALA 232 CO -0.33 0.49 0.16 0.82 0.00 0.00 0.00 179.25 180.39 1u2t h ILE 233 N 1.21 1.25 -0.33 0.00 2.04 -0.83 0.17 117.51 121.02 1u2t h ILE 233 Ca 0.41 -0.89 -0.06 0.00 1.00 0.00 0.00 64.86 65.31 1u2t h ILE 233 Cb 0.08 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1u2t h ILE 233 CO -0.15 0.34 -0.03 -0.07 0.00 0.00 0.00 178.15 178.24 1u2t h LEU 234 N 0.89 0.60 -0.37 1.44 3.38 -1.16 -2.13 115.31 117.97 1u2t h LEU 234 Ca 0.19 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1u2t h LEU 234 Cb 0.34 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1u2t h LEU 234 CO -0.00 0.78 0.18 -0.08 0.09 0.00 0.00 178.44 179.41 1u2t h GLU 235 N 0.39 0.36 -0.38 1.13 4.81 -0.97 -2.03 114.58 117.90 1u2t h GLU 235 Ca 0.09 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1u2t h GLU 235 Cb 0.50 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1u2t h GLU 235 CO 0.02 0.24 0.04 0.00 -0.73 0.00 0.00 179.01 178.58 1u2t h ALA 236 N 1.20 1.36 -0.58 2.92 0.00 -0.58 -0.60 119.26 122.98 1u2t h ALA 236 Ca 0.16 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1u2t h ALA 236 Cb 0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1u2t h ALA 236 CO -0.11 0.45 0.03 0.82 0.00 0.00 0.00 179.25 180.43 1u2t h ILE 237 N 0.56 1.26 -0.06 0.00 2.04 -0.87 -0.33 117.51 120.11 1u2t h ILE 237 Ca 0.12 -1.08 -0.15 0.00 1.00 0.00 0.00 64.86 64.75 1u2t h ILE 237 Cb 0.30 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 1u2t h ILE 237 CO 0.01 0.39 -0.65 0.00 0.00 0.00 0.00 178.15 177.90 1u2t h ALA 238 N 1.11 0.80 0.21 1.87 0.00 -0.95 0.17 119.26 122.47 1u2t h ALA 238 Ca 0.17 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1u2t h ALA 238 Cb 0.49 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1u2t h ALA 238 CO 0.02 0.76 -0.10 1.25 0.00 0.00 0.00 179.25 181.18 1u2t h HIS 239 N 0.16 -0.26 -0.13 0.00 -0.00 -0.66 -2.92 115.15 111.35 1u2t h HIS 239 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 1u2t h HIS 239 Cb 1.17 0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 1u2t h HIS 239 CO 0.02 0.09 0.00 1.19 -0.00 0.00 0.00 177.93 179.23 1u2t n PHE 240 N -5.05 0.22 -4.13 5.26 3.01 -0.18 -4.90 117.46 111.70 1u2t n PHE 240 Ca -0.09 -0.10 -0.30 0.00 1.01 0.00 0.00 57.45 57.97 1u2t n PHE 240 Cb 0.24 -0.03 -0.05 0.00 -0.01 0.00 0.00 39.48 39.62 1u2t n PHE 240 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1u2t n ASP 241 N -0.07 -0.21 -4.88 4.37 2.03 -0.91 -4.94 116.55 111.94 1u2t n ASP 241 Ca 0.05 -1.16 -0.29 0.00 0.52 0.00 0.00 54.79 53.90 1u2t n ASP 241 Cb 0.17 -2.26 -0.01 0.00 -0.72 0.00 0.00 41.12 38.31 1u2t n ASP 241 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1u2t s PHE 242 N -4.11 3.56 -1.41 -0.67 0.08 0.55 -3.62 117.98 112.35 1u2t s PHE 242 Ca 0.06 1.05 -0.11 0.00 0.12 0.00 0.00 56.93 58.05 1u2t s PHE 242 Cb -0.03 -2.49 0.07 0.00 -0.57 0.00 0.00 43.02 40.01 1u2t s PHE 242 CO 0.95 -0.38 0.64 1.28 -0.10 0.00 0.00 175.22 177.62 1u2t n LEU 243 N -2.18 -1.95 0.00 -0.37 4.77 -1.26 -4.77 117.00 111.24 1u2t n LEU 243 Ca 0.03 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 55.50 1u2t n LEU 243 Cb 0.54 -2.34 0.00 0.00 -2.33 0.00 0.00 43.42 39.30 1u2t n LEU 243 CO 0.53 0.25 0.00 -1.20 -1.33 0.00 0.00 177.39 175.64