#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u2s s ARG 2 N 0.00 0.58 0.03 0.03 0.52 -1.26 -5.03 118.95 113.83 1u2s s ARG 2 Ca 0.00 -1.04 0.26 0.00 -0.52 0.00 0.00 55.73 54.43 1u2s s ARG 2 Cb 0.00 0.21 0.77 0.00 0.52 0.00 0.00 34.95 36.45 1u2s s ARG 2 CO 0.00 -0.12 1.61 0.00 0.02 0.00 0.00 175.30 176.81 1u2s n GLN 3 N 0.41 0.06 -3.79 3.54 10.64 -1.09 -4.91 117.38 122.23 1u2s n GLN 3 Ca -0.16 0.03 -0.13 0.00 -1.83 0.00 0.00 57.00 54.91 1u2s n GLN 3 Cb 0.60 -1.55 -0.10 0.00 -0.86 0.00 0.00 30.24 28.33 1u2s n GLN 3 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1u2s s LEU 4 N -3.27 1.06 -0.31 2.61 2.96 -1.13 -4.79 118.68 115.81 1u2s s LEU 4 Ca 0.11 0.29 0.03 0.00 -0.22 0.00 0.00 54.13 54.34 1u2s s LEU 4 Cb 0.17 0.95 0.08 0.00 0.50 0.00 0.00 46.19 47.89 1u2s s LEU 4 CO 0.63 -0.23 -0.01 -0.22 -1.32 0.00 0.00 176.35 175.21 1u2s s LEU 5 N -0.48 4.23 -0.30 -0.68 0.20 -0.12 -0.54 118.68 120.98 1u2s s LEU 5 Ca -0.06 -1.80 -0.15 0.00 0.69 0.00 0.00 54.13 52.81 1u2s s LEU 5 Cb -0.04 -1.62 -0.03 0.00 -0.43 0.00 0.00 46.19 44.08 1u2s s LEU 5 CO 0.01 -0.31 0.39 -0.22 -0.29 0.00 0.00 176.35 175.94 1u2s s LEU 6 N 1.02 4.16 -0.15 -0.68 0.20 -0.08 -1.25 118.68 121.90 1u2s s LEU 6 Ca 0.02 0.14 0.01 0.00 0.69 0.00 0.00 54.13 54.99 1u2s s LEU 6 Cb -0.20 -2.43 0.02 0.00 -0.43 0.00 0.00 46.19 43.15 1u2s s LEU 6 CO -0.06 -0.26 -0.17 -0.63 -0.29 0.00 0.00 176.35 174.94 1u2s s ILE 7 N 2.11 1.76 0.02 6.68 1.01 0.10 -1.19 121.20 131.69 1u2s s ILE 7 Ca 0.15 -0.77 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1u2s s ILE 7 Cb -0.16 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.69 1u2s s ILE 7 CO 0.11 0.49 0.06 -0.55 0.00 0.00 0.00 174.94 175.05 1u2s s SER 8 N 1.22 0.14 0.64 3.58 0.15 -0.89 -0.17 113.70 118.38 1u2s s SER 8 Ca 0.00 -0.39 -0.10 0.00 0.70 0.00 0.00 55.95 56.16 1u2s s SER 8 Cb -0.14 0.17 -0.01 0.00 -1.71 0.00 0.00 66.02 64.33 1u2s s SER 8 CO -0.08 -0.37 1.03 -0.62 1.20 0.00 0.00 173.24 174.40 1u2s s ASP 9 N -1.57 5.83 -0.01 5.45 2.15 -0.85 -0.71 116.67 126.96 1u2s s ASP 9 Ca -0.13 1.19 -0.01 0.00 0.43 0.00 0.00 52.55 54.03 1u2s s ASP 9 Cb -0.07 -2.14 -0.00 0.00 -0.30 0.00 0.00 42.92 40.41 1u2s s ASP 9 CO -0.01 -1.07 -0.01 0.18 -0.17 0.00 0.00 175.17 174.09 1u2s n LEU 10 N -2.81 0.07 -4.69 -1.34 4.77 -1.26 -2.58 117.00 109.16 1u2s n LEU 10 Ca 0.06 0.11 -0.43 0.00 -0.03 0.00 0.00 56.01 55.72 1u2s n LEU 10 Cb 0.56 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 1u2s n LEU 10 CO 0.57 -0.49 1.42 0.47 -1.33 0.00 0.00 177.39 178.02 1u2s n ASP 11 N -2.49 3.86 0.00 -1.43 9.92 -1.26 0.44 116.55 125.59 1u2s n ASP 11 Ca -0.00 1.02 0.00 0.00 -0.53 0.00 0.00 54.79 55.27 1u2s n ASP 11 Cb 0.02 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 38.97 1u2s n ASP 11 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 1u2s n ASN 12 N 5.02 -0.42 0.00 -2.24 3.02 -0.23 -4.74 115.26 115.68 1u2s n ASN 12 Ca 0.18 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 1u2s n ASN 12 Cb 0.35 -1.35 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 1u2s n ASN 12 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1u2s n THR 13 N -2.04 0.00 -0.11 3.41 -1.04 -0.77 -4.28 114.28 109.44 1u2s n THR 13 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1u2s n THR 13 Cb 0.02 -0.21 -0.03 0.00 -1.82 0.00 0.00 70.33 68.29 1u2s n THR 13 CO 0.00 0.00 0.00 -0.25 -0.64 0.00 0.00 175.07 174.18 1u2s h TRP 14 N 0.00 0.80 -2.88 -1.42 2.91 -0.98 0.11 115.95 114.49 1u2s h TRP 14 Ca 0.00 -0.20 -0.58 0.00 1.13 0.00 0.00 58.89 59.24 1u2s h TRP 14 Cb 0.00 -0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.43 1u2s h TRP 14 CO 0.00 0.90 -0.42 0.08 -1.03 0.00 0.00 178.44 177.98 1u2s s VAL 15 N -4.62 5.29 0.00 2.65 1.01 0.17 -4.05 120.40 120.85 1u2s s VAL 15 Ca -0.13 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1u2s s VAL 15 Cb 0.09 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1u2s s VAL 15 CO 0.81 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.53 1u2s n GLY 16 N -0.12 3.90 3.11 4.51 0.00 -1.26 -1.06 105.19 114.26 1u2s n GLY 16 Ca -0.05 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 44.92 1u2s n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u2s s ASP 17 N 0.00 5.22 0.23 1.61 -1.08 -1.26 -4.99 116.67 116.40 1u2s s ASP 17 Ca 0.00 -2.20 -0.06 0.00 -0.52 0.00 0.00 52.55 49.76 1u2s s ASP 17 Cb 0.00 -1.82 0.35 0.00 -1.46 0.00 0.00 42.92 39.99 1u2s s ASP 17 CO 0.00 -0.50 1.77 -0.61 0.52 0.00 0.00 175.17 176.35 1u2s h GLN 18 N 7.82 0.56 -0.63 4.34 5.75 -1.96 0.12 115.11 131.12 1u2s h GLN 18 Ca -0.11 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 1u2s h GLN 18 Cb 1.03 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.42 1u2s h GLN 18 CO 0.70 0.37 0.22 0.37 -2.65 0.00 0.00 178.83 177.84 1u2s h GLN 19 N 0.58 0.97 -0.20 1.69 4.15 -1.99 -0.35 115.11 119.96 1u2s h GLN 19 Ca 0.36 -0.20 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 1u2s h GLN 19 Cb 0.40 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1u2s h GLN 19 CO -0.29 0.84 -0.41 0.00 -1.93 0.00 0.00 178.83 177.05 1u2s h ALA 20 N 1.08 0.93 -0.33 3.38 0.00 -1.83 -1.42 119.26 121.08 1u2s h ALA 20 Ca 0.21 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1u2s h ALA 20 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1u2s h ALA 20 CO -0.01 0.63 0.07 1.25 0.00 0.00 0.00 179.25 181.18 1u2s h LEU 21 N 0.38 0.51 -0.67 0.00 6.46 -0.67 -1.21 115.31 120.11 1u2s h LEU 21 Ca 0.03 -0.25 -0.10 0.00 -0.12 0.00 0.00 57.88 57.45 1u2s h LEU 21 Cb 0.88 -0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 1u2s h LEU 21 CO 0.07 0.62 -0.04 -0.33 -0.62 0.00 0.00 178.44 178.15 1u2s h GLU 22 N 0.37 0.99 0.00 1.25 5.08 -0.85 -0.74 114.58 120.68 1u2s h GLU 22 Ca 0.10 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1u2s h GLU 22 Cb 0.32 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1u2s h GLU 22 CO 0.00 1.00 -0.02 1.12 -1.00 0.00 0.00 179.01 180.11 1u2s h HIS 23 N 0.90 0.00 -0.04 4.33 2.07 -1.20 -0.80 115.15 120.41 1u2s h HIS 23 Ca 0.16 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.54 1u2s h HIS 23 Cb 0.58 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.57 1u2s h HIS 23 CO 0.04 0.02 -0.50 1.25 -3.07 0.00 0.00 177.93 175.67 1u2s h LEU 24 N 0.00 0.51 -1.25 6.12 5.85 -0.94 -2.40 115.31 123.20 1u2s h LEU 24 Ca -0.00 -0.71 -0.04 0.00 0.84 0.00 0.00 57.88 57.98 1u2s h LEU 24 Cb 0.92 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1u2s h LEU 24 CO 0.00 1.15 -0.18 1.56 -0.34 0.00 0.00 178.44 180.63 1u2s h GLN 25 N -0.07 0.00 -0.03 1.25 4.20 -1.07 -1.63 115.11 117.76 1u2s h GLN 25 Ca -0.05 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 1u2s h GLN 25 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1u2s h GLN 25 CO 0.10 0.18 -0.07 1.49 -0.67 0.00 0.00 178.83 179.85 1u2s h GLU 26 N 0.00 0.11 0.20 1.46 4.57 -1.09 -0.61 114.58 119.21 1u2s h GLU 26 Ca -0.00 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1u2s h GLU 26 Cb 0.67 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 1u2s h GLU 26 CO 0.02 0.67 -0.12 -0.92 -1.18 0.00 0.00 179.01 177.48 1u2s h TYR 27 N -0.44 -0.31 -0.36 0.92 3.20 -1.26 -2.84 116.97 115.88 1u2s h TYR 27 Ca -0.00 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 1u2s h TYR 27 Cb 0.67 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.03 1u2s h TYR 27 CO 0.13 -0.19 0.10 -0.07 -1.64 0.00 0.00 178.16 176.48 1u2s h LEU 28 N -0.31 0.47 -0.19 2.82 3.38 -1.36 -2.23 115.31 117.90 1u2s h LEU 28 Ca -0.02 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1u2s h LEU 28 Cb 0.26 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1u2s h LEU 28 CO 0.02 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.63 1u2s n GLY 29 N -1.10 -0.84 0.87 0.83 0.00 -0.24 -1.72 105.19 103.00 1u2s n GLY 29 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1u2s n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1u2s n ASP 30 N -1.64 2.68 -1.79 1.61 8.00 -0.84 -4.27 116.55 120.30 1u2s n ASP 30 Ca 0.02 -1.87 -0.01 0.00 0.71 0.00 0.00 54.79 53.63 1u2s n ASP 30 Cb 0.11 -0.06 0.02 0.00 -0.02 0.00 0.00 41.12 41.16 1u2s n ASP 30 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1u2s n ARG 31 N 1.06 0.55 -0.32 -1.24 1.85 -0.70 -4.98 116.66 112.88 1u2s n ARG 31 Ca 0.16 -1.85 0.26 0.00 -1.00 0.00 0.00 57.85 55.42 1u2s n ARG 31 Cb 0.53 -0.08 0.57 0.00 -1.05 0.00 0.00 32.46 32.43 1u2s n ARG 31 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1u2s h ARG 32 N 1.00 0.28 0.00 2.89 9.65 -1.56 -0.53 114.38 126.12 1u2s h ARG 32 Ca -0.35 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 1u2s h ARG 32 Cb 1.54 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 30.05 1u2s h ARG 32 CO -0.05 0.19 0.00 0.41 2.80 0.00 0.00 179.97 183.32 1u2s n GLY 33 N -1.54 -1.24 0.59 2.80 0.00 -1.26 -3.53 105.19 101.00 1u2s n GLY 33 Ca 0.25 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.29 1u2s n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u2s n ASN 34 N -1.47 1.76 -3.54 1.61 5.03 -0.21 -4.89 115.26 113.55 1u2s n ASN 34 Ca 0.06 -1.78 -0.14 0.00 0.87 0.00 0.00 54.58 53.58 1u2s n ASN 34 Cb 0.25 -0.14 -0.05 0.00 -1.02 0.00 0.00 39.78 38.82 1u2s n ASN 34 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 1u2s s PHE 35 N -1.72 -0.48 -0.03 3.10 -0.71 -1.23 -2.69 117.98 114.21 1u2s s PHE 35 Ca 0.30 0.58 -0.07 0.00 -1.04 0.00 0.00 56.93 56.71 1u2s s PHE 35 Cb 0.16 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.31 1u2s s PHE 35 CO 0.24 -0.66 0.23 0.71 -1.34 0.00 0.00 175.22 174.40 1u2s s TYR 36 N -2.37 3.59 -0.06 3.49 1.51 0.29 -4.99 117.35 118.82 1u2s s TYR 36 Ca -0.06 0.57 0.04 0.00 -1.01 0.00 0.00 57.07 56.62 1u2s s TYR 36 Cb -0.01 -1.98 -0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1u2s s TYR 36 CO -0.01 0.66 -0.20 -1.17 -1.11 0.00 0.00 175.55 173.72 1u2s s LEU 37 N -1.50 1.96 -0.02 -1.29 2.96 -1.26 -0.90 118.68 118.62 1u2s s LEU 37 Ca 0.23 -0.43 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1u2s s LEU 37 Cb -0.13 -1.15 0.02 0.00 0.50 0.00 0.00 46.19 45.43 1u2s s LEU 37 CO 0.12 0.16 0.04 0.00 -1.32 0.00 0.00 176.35 175.36 1u2s s ALA 38 N 0.13 0.00 -0.26 5.97 0.00 -0.33 0.68 121.76 127.95 1u2s s ALA 38 Ca -0.08 0.30 -0.13 0.00 0.00 0.00 0.00 51.96 52.05 1u2s s ALA 38 Cb -0.14 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1u2s s ALA 38 CO 0.04 -0.09 0.29 0.71 0.00 0.00 0.00 175.76 176.71 1u2s s TYR 39 N 0.84 3.26 -0.69 0.00 4.12 -0.87 -2.10 117.35 121.90 1u2s s TYR 39 Ca -0.07 0.32 -0.08 0.00 0.02 0.00 0.00 57.07 57.26 1u2s s TYR 39 Cb -0.10 -2.47 0.18 0.00 -1.52 0.00 0.00 41.96 38.06 1u2s s TYR 39 CO -0.03 -0.14 0.56 0.00 0.02 0.00 0.00 175.55 175.96 1u2s s ALA 40 N 1.75 3.76 0.28 3.71 0.00 0.11 0.20 121.76 131.58 1u2s s ALA 40 Ca 0.12 -3.22 0.10 0.00 0.00 0.00 0.00 51.96 48.95 1u2s s ALA 40 Cb -0.15 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 1u2s s ALA 40 CO 0.09 -2.15 -0.02 -0.08 0.00 0.00 0.00 175.76 173.60 1u2s s THR 41 N 0.15 3.23 -0.85 0.00 -1.32 -0.35 -3.85 115.64 112.64 1u2s s THR 41 Ca 0.16 -1.97 0.26 0.00 -1.21 0.00 0.00 61.69 58.94 1u2s s THR 41 Cb -0.17 -2.78 0.14 0.00 -1.51 0.00 0.00 72.50 68.18 1u2s s THR 41 CO -0.05 -0.35 1.61 0.61 -2.21 0.00 0.00 174.62 174.23 1u2s n GLY 42 N -0.88 -1.46 3.82 6.08 0.00 -1.26 -0.66 105.19 110.83 1u2s n GLY 42 Ca -0.06 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 1u2s n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u2s s ARG 43 N -3.07 3.15 0.91 1.61 0.52 -1.26 -3.96 118.95 116.85 1u2s s ARG 43 Ca 0.10 1.02 -0.12 0.00 -0.52 0.00 0.00 55.73 56.21 1u2s s ARG 43 Cb 0.16 -2.02 0.14 0.00 0.52 0.00 0.00 34.95 33.75 1u2s s ARG 43 CO 0.64 -0.94 1.11 -1.54 0.02 0.00 0.00 175.30 174.59 1u2s s SER 44 N -3.48 3.41 0.12 0.23 1.04 -1.26 -0.17 113.70 113.59 1u2s s SER 44 Ca 0.59 1.20 -0.19 0.00 0.48 0.00 0.00 55.95 58.03 1u2s s SER 44 Cb -0.14 -1.86 -0.07 0.00 0.10 0.00 0.00 66.02 64.05 1u2s s SER 44 CO 0.48 -2.64 1.74 0.22 0.98 0.00 0.00 173.24 174.02 1u2s h TYR 45 N -1.55 0.28 -0.89 5.02 3.20 -1.96 -0.63 116.97 120.44 1u2s h TYR 45 Ca -0.51 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.42 1u2s h TYR 45 Cb 1.31 -0.09 -0.06 0.00 1.54 0.00 0.00 36.73 39.43 1u2s h TYR 45 CO 0.35 0.22 0.58 1.25 -1.64 0.00 0.00 178.16 178.93 1u2s h HIS 46 N 0.26 1.03 -0.14 -3.82 2.76 -1.99 -0.40 115.15 112.85 1u2s h HIS 46 Ca 0.08 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.09 1u2s h HIS 46 Cb 0.02 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.64 1u2s h HIS 46 CO -0.05 0.54 -0.68 1.03 -1.30 0.00 0.00 177.93 177.47 1u2s h SER 47 N 1.01 0.65 -0.54 3.26 0.87 -1.82 -1.95 113.55 115.03 1u2s h SER 47 Ca 0.38 -0.40 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 1u2s h SER 47 Cb 0.20 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1u2s h SER 47 CO -0.14 1.15 0.04 0.00 -0.53 0.00 0.00 176.83 177.35 1u2s h ALA 48 N 0.85 0.73 -0.87 6.23 0.00 -0.48 -1.54 119.26 124.17 1u2s h ALA 48 Ca -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1u2s h ALA 48 Cb 1.26 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1u2s h ALA 48 CO 0.13 0.51 0.50 0.00 0.00 0.00 0.00 179.25 180.39 1u2s h ARG 49 N 0.81 1.20 -0.35 0.00 2.47 -1.02 -1.16 114.38 116.33 1u2s h ARG 49 Ca 0.16 -0.12 -0.11 0.00 -1.26 0.00 0.00 59.98 58.65 1u2s h ARG 49 Cb 0.47 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.54 1u2s h ARG 49 CO 0.02 0.86 -0.23 1.49 0.56 0.00 0.00 179.97 182.66 1u2s h GLU 50 N 1.21 0.69 -0.58 0.04 4.57 -1.03 -2.79 114.58 116.69 1u2s h GLU 50 Ca 0.31 -0.27 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 1u2s h GLU 50 Cb -0.01 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.52 1u2s h GLU 50 CO -0.05 0.86 0.14 1.25 -1.18 0.00 0.00 179.01 180.03 1u2s h LEU 51 N 0.60 0.89 -0.82 1.64 5.85 -0.62 -2.65 115.31 120.20 1u2s h LEU 51 Ca 0.08 -0.23 0.15 0.00 0.84 0.00 0.00 57.88 58.72 1u2s h LEU 51 Cb 0.72 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.42 1u2s h LEU 51 CO 0.06 0.89 0.39 -0.61 -0.34 0.00 0.00 178.44 178.83 1u2s h GLN 52 N 0.85 0.54 -0.46 1.25 4.15 -0.97 -0.88 115.11 119.59 1u2s h GLN 52 Ca 0.18 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.46 1u2s h GLN 52 Cb 0.35 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.90 1u2s h GLN 52 CO 0.00 0.36 -0.15 0.87 -1.93 0.00 0.00 178.83 177.98 1u2s h LYS 53 N 0.56 0.88 0.07 1.69 1.57 -1.33 0.47 116.57 120.47 1u2s h LYS 53 Ca 0.45 -0.33 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1u2s h LYS 53 Cb 0.66 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1u2s h LYS 53 CO -0.38 0.97 -0.03 1.96 -0.57 0.00 0.00 179.45 181.40 1u2s h GLN 54 N 0.78 -0.09 -0.02 3.15 4.20 -0.90 -3.33 115.11 118.90 1u2s h GLN 54 Ca 0.12 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1u2s h GLN 54 Cb 0.68 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.48 1u2s h GLN 54 CO 0.05 0.29 -0.32 1.33 -0.67 0.00 0.00 178.83 179.51 1u2s n VAL 55 N -4.95 0.00 -2.57 -0.54 0.24 -0.46 -5.00 118.33 105.05 1u2s n VAL 55 Ca -0.08 -0.33 -0.08 0.00 -2.04 0.00 0.00 64.34 61.80 1u2s n VAL 55 Cb 0.22 1.30 0.04 0.00 -1.47 0.00 0.00 33.84 33.93 1u2s n VAL 55 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u2s n GLY 56 N 1.39 -0.02 3.74 7.63 0.00 0.16 -4.98 105.19 113.11 1u2s n GLY 56 Ca 0.11 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1u2s n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u2s s LEU 57 N -4.17 4.45 0.42 0.99 1.43 -0.66 -4.98 118.68 116.16 1u2s s LEU 57 Ca 0.09 2.32 -0.25 0.00 -1.03 0.00 0.00 54.13 55.26 1u2s s LEU 57 Cb -0.01 -3.61 -0.08 0.00 0.03 0.00 0.00 46.19 42.51 1u2s s LEU 57 CO 0.36 -0.40 1.22 0.00 0.23 0.00 0.00 176.35 177.76 1u2s s MET 58 N -0.49 3.94 0.02 1.70 0.23 -1.26 -4.89 119.30 118.55 1u2s s MET 58 Ca 0.52 1.94 -0.31 0.00 -1.03 0.00 0.00 55.69 56.82 1u2s s MET 58 Cb -0.34 -2.64 -0.09 0.00 -1.53 0.00 0.00 34.83 30.23 1u2s s MET 58 CO 0.39 -0.44 1.97 -1.91 -2.03 0.00 0.00 175.02 173.00 1u2s n GLU 59 N -0.04 2.78 -2.47 3.16 4.07 -1.26 -4.98 120.64 121.89 1u2s n GLU 59 Ca 0.05 1.02 -0.26 0.00 -0.06 0.00 0.00 57.16 57.91 1u2s n GLU 59 Cb 0.46 -2.98 0.03 0.00 -0.06 0.00 0.00 31.44 28.90 1u2s n GLU 59 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 1u2s s PRO 60 N 4.47 2.81 0.06 5.31 0.04 -1.26 -4.98 135.00 141.44 1u2s s PRO 60 Ca 0.90 -0.17 -0.03 0.00 0.04 0.00 0.00 61.00 61.74 1u2s s PRO 60 Cb -0.46 -2.32 -0.28 0.00 0.04 0.00 0.00 34.50 31.49 1u2s s PRO 60 CO 0.43 -0.71 1.06 -0.44 0.04 0.00 0.00 177.00 177.38 1u2s h ASP 61 N -0.13 0.37 -4.95 6.66 3.32 -0.12 -3.47 116.42 118.09 1u2s h ASP 61 Ca -0.45 -0.43 -0.18 0.00 0.02 0.00 0.00 57.03 55.98 1u2s h ASP 61 Cb 1.27 -0.12 -0.21 0.00 0.22 0.00 0.00 39.33 40.49 1u2s h ASP 61 CO 0.59 1.35 -0.70 -0.31 -1.72 0.00 0.00 179.24 178.45 1u2s s TYR 62 N -2.65 0.34 -0.22 4.55 1.51 -0.47 -3.80 117.35 116.62 1u2s s TYR 62 Ca -0.05 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.48 1u2s s TYR 62 Cb 0.07 -0.23 0.04 0.00 -0.11 0.00 0.00 41.96 41.73 1u2s s TYR 62 CO 0.87 -0.18 -0.14 -1.58 -1.11 0.00 0.00 175.55 173.41 1u2s s TRP 63 N -1.56 3.02 -0.67 2.71 0.52 -0.75 -2.05 118.94 120.16 1u2s s TRP 63 Ca -0.14 -1.90 -0.10 0.00 0.02 0.00 0.00 56.10 53.98 1u2s s TRP 63 Cb -0.09 -1.95 0.17 0.00 -1.15 0.00 0.00 33.47 30.46 1u2s s TRP 63 CO -0.01 -0.82 0.57 -0.51 0.02 0.00 0.00 176.95 176.19 1u2s s LEU 64 N 1.22 6.09 0.48 2.99 1.43 0.13 -0.35 118.68 130.66 1u2s s LEU 64 Ca -0.01 -2.48 0.04 0.00 -1.03 0.00 0.00 54.13 50.65 1u2s s LEU 64 Cb -0.16 -2.08 0.02 0.00 0.03 0.00 0.00 46.19 44.00 1u2s s LEU 64 CO -0.08 -0.57 0.66 0.42 0.23 0.00 0.00 176.35 177.01 1u2s s THR 65 N 0.50 2.97 -1.31 5.49 -4.23 0.10 -1.21 115.64 117.95 1u2s s THR 65 Ca 0.14 -0.82 -0.12 0.00 -1.18 0.00 0.00 61.69 59.71 1u2s s THR 65 Cb -0.18 -3.05 0.00 0.00 1.34 0.00 0.00 72.50 70.61 1u2s s THR 65 CO -0.05 -0.03 0.54 0.00 -0.54 0.00 0.00 174.62 174.54 1u2s n ALA 66 N -2.08 -2.27 -3.47 3.99 0.00 0.76 -0.59 120.51 116.85 1u2s n ALA 66 Ca 0.07 -0.32 -0.25 0.00 0.00 0.00 0.00 53.44 52.94 1u2s n ALA 66 Cb 0.59 -2.41 0.04 0.00 0.00 0.00 0.00 19.45 17.67 1u2s n ALA 66 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1u2s n VAL 67 N -4.45 -2.14 -1.02 0.00 0.31 0.17 -1.54 118.33 109.66 1u2s n VAL 67 Ca -0.22 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.11 1u2s n VAL 67 Cb 0.64 -3.22 -0.00 0.00 -0.91 0.00 0.00 33.84 30.35 1u2s n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1u2s n GLY 68 N -1.66 0.49 0.06 2.92 0.00 0.24 -3.31 105.19 103.93 1u2s n GLY 68 Ca -0.02 -0.33 0.13 0.00 0.00 0.00 0.00 46.02 45.80 1u2s n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1u2s n SER 69 N 0.47 0.48 -3.80 1.61 3.41 -0.32 -4.46 113.62 111.02 1u2s n SER 69 Ca -0.01 0.55 -0.13 0.00 -0.26 0.00 0.00 58.87 59.02 1u2s n SER 69 Cb 0.07 -0.68 -0.14 0.00 -0.26 0.00 0.00 64.21 63.20 1u2s n SER 69 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1u2s s GLU 70 N -3.06 0.05 -0.16 4.33 2.02 -1.04 -4.87 118.70 115.97 1u2s s GLU 70 Ca 0.12 0.20 0.01 0.00 0.02 0.00 0.00 54.97 55.32 1u2s s GLU 70 Cb 0.15 -0.10 0.01 0.00 0.10 0.00 0.00 34.13 34.29 1u2s s GLU 70 CO 0.57 -0.10 -0.20 0.42 0.02 0.00 0.00 175.26 175.97 1u2s s ILE 71 N 0.63 2.23 -0.22 -1.63 1.01 -1.26 -0.72 121.20 121.24 1u2s s ILE 71 Ca -0.05 -0.91 -0.05 0.00 0.00 0.00 0.00 60.65 59.64 1u2s s ILE 71 Cb -0.07 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.46 1u2s s ILE 71 CO -0.02 0.54 0.01 -0.31 0.00 0.00 0.00 174.94 175.15 1u2s s TYR 72 N 0.95 3.04 0.63 3.97 1.51 0.52 -0.62 117.35 127.36 1u2s s TYR 72 Ca -0.03 -0.53 -0.02 0.00 -1.01 0.00 0.00 57.07 55.48 1u2s s TYR 72 Cb -0.15 -2.12 0.06 0.00 -0.11 0.00 0.00 41.96 39.64 1u2s s TYR 72 CO -0.04 -0.32 0.89 -1.01 -1.11 0.00 0.00 175.55 173.96 1u2s s HIS 73 N 1.22 2.59 0.34 2.71 3.76 0.84 -1.81 115.29 124.94 1u2s s HIS 73 Ca 0.03 0.06 0.05 0.00 -0.15 0.00 0.00 55.06 55.05 1u2s s HIS 73 Cb -0.15 -2.95 0.69 0.00 1.11 0.00 0.00 32.58 31.28 1u2s s HIS 73 CO 0.01 -1.22 1.94 -1.35 -0.85 0.00 0.00 174.74 173.27 1u2s h PRO 74 N -0.26 0.80 -0.17 8.40 0.11 -1.95 -1.28 132.00 137.65 1u2s h PRO 74 Ca -0.42 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1u2s h PRO 74 Cb 1.29 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1u2s h PRO 74 CO 0.51 0.53 0.00 0.39 -0.21 0.00 0.00 178.00 179.23 1u2s n GLU 75 N -4.49 1.76 0.00 1.05 -0.58 -1.26 -5.04 120.64 112.08 1u2s n GLU 75 Ca 0.12 -1.14 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 1u2s n GLU 75 Cb 0.24 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 29.71 1u2s n GLU 75 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1u2s n GLY 76 N 1.15 0.96 3.75 0.62 0.00 -0.48 -5.09 105.19 106.09 1u2s n GLY 76 Ca 0.16 -2.10 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 1u2s n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1u2s n LEU 77 N 0.00 4.32 -4.57 0.99 7.94 -1.26 -0.11 117.00 124.31 1u2s n LEU 77 Ca 0.00 1.20 -0.43 0.00 -1.11 0.00 0.00 56.01 55.67 1u2s n LEU 77 Cb 0.00 -1.57 -0.04 0.00 0.53 0.00 0.00 43.42 42.34 1u2s n LEU 77 CO 0.00 -0.01 0.84 -0.62 -1.11 0.00 0.00 177.39 176.48 1u2s s ASP 78 N 0.02 6.50 0.29 1.96 -1.08 0.21 -4.86 116.67 119.71 1u2s s ASP 78 Ca 0.57 0.12 0.15 0.00 -0.52 0.00 0.00 52.55 52.87 1u2s s ASP 78 Cb -0.51 -2.48 0.25 0.00 -1.46 0.00 0.00 42.92 38.72 1u2s s ASP 78 CO 0.59 -1.16 1.53 -0.61 0.52 0.00 0.00 175.17 176.03 1u2s h GLN 79 N 9.19 0.00 -0.43 4.34 5.75 -1.92 -2.95 115.11 129.10 1u2s h GLN 79 Ca -0.24 0.00 -0.09 0.00 -0.15 0.00 0.00 58.65 58.17 1u2s h GLN 79 Cb 1.07 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.61 1u2s h GLN 79 CO 1.07 0.54 -0.09 1.25 -2.65 0.00 0.00 178.83 178.95 1u2s h HIS 80 N 0.00 0.91 -0.71 3.99 2.76 -1.99 -1.05 115.15 119.06 1u2s h HIS 80 Ca -0.01 -0.19 -0.05 0.00 -2.20 0.00 0.00 60.37 57.92 1u2s h HIS 80 Cb 1.27 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.97 1u2s h HIS 80 CO 0.00 0.92 0.24 2.35 -1.30 0.00 0.00 177.93 180.14 1u2s h TRP 81 N 0.64 1.12 -0.07 5.26 2.91 -1.97 -0.29 115.95 123.55 1u2s h TRP 81 Ca 0.11 -0.10 -0.00 0.00 1.13 0.00 0.00 58.89 60.02 1u2s h TRP 81 Cb 0.62 -0.33 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 1u2s h TRP 81 CO 0.05 0.88 0.03 0.00 -1.03 0.00 0.00 178.44 178.37 1u2s h ALA 82 N 1.11 0.09 -0.47 2.65 0.00 -1.33 0.75 119.26 122.05 1u2s h ALA 82 Ca 0.23 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 1u2s h ALA 82 Cb 0.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1u2s h ALA 82 CO -0.01 -0.34 0.05 -0.44 0.00 0.00 0.00 179.25 178.50 1u2s h ASP 83 N -0.03 0.71 -0.52 0.00 3.32 -1.06 -0.97 116.42 117.86 1u2s h ASP 83 Ca 0.02 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1u2s h ASP 83 Cb 0.14 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 1u2s h ASP 83 CO -0.00 0.75 0.15 0.22 -1.72 0.00 0.00 179.24 178.63 1u2s h TYR 84 N 0.71 0.86 0.00 4.55 5.03 -0.80 -2.39 116.97 124.93 1u2s h TYR 84 Ca 0.15 -0.09 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1u2s h TYR 84 Cb 0.37 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 38.40 1u2s h TYR 84 CO 0.02 0.74 0.00 -0.07 -1.32 0.00 0.00 178.16 177.53 1u2s h LEU 85 N 0.73 0.00 -0.08 2.82 3.38 -0.38 -3.12 115.31 118.65 1u2s h LEU 85 Ca 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1u2s h LEU 85 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1u2s h LEU 85 CO -0.00 0.00 -0.15 0.28 0.09 0.00 0.00 178.44 178.66 1u2s h SER 86 N 0.00 0.00 -2.43 -0.43 0.02 -0.67 -3.41 113.55 106.64 1u2s h SER 86 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 1u2s h SER 86 Cb 0.61 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.16 1u2s h SER 86 CO 0.00 0.15 1.20 -1.61 -1.14 0.00 0.00 176.83 175.43 1u2s s GLU 87 N -3.17 4.12 0.00 3.45 2.02 -1.13 -2.42 118.70 121.57 1u2s s GLU 87 Ca 0.06 2.47 0.00 0.00 0.02 0.00 0.00 54.97 57.52 1u2s s GLU 87 Cb 0.06 -4.12 0.00 0.00 0.10 0.00 0.00 34.13 30.17 1u2s s GLU 87 CO 0.69 -0.97 0.00 0.72 0.02 0.00 0.00 175.26 175.72 1u2s n HIS 88 N 7.58 0.00 -2.64 1.61 8.25 -1.26 -4.99 115.22 123.77 1u2s n HIS 88 Ca 0.19 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.23 1u2s n HIS 88 Cb 0.42 -0.56 -0.03 0.00 1.12 0.00 0.00 29.99 30.94 1u2s n HIS 88 CO 0.00 0.00 0.00 -0.46 0.64 0.00 0.00 176.34 176.52 1u2s s TRP 89 N -2.80 3.48 -0.69 4.41 -0.11 -1.01 -4.48 118.94 117.74 1u2s s TRP 89 Ca 0.00 1.53 0.05 0.00 1.22 0.00 0.00 56.10 58.90 1u2s s TRP 89 Cb 0.00 -3.23 0.18 0.00 -1.50 0.00 0.00 33.47 28.93 1u2s s TRP 89 CO 0.00 -0.43 0.54 1.04 -4.62 0.00 0.00 176.95 173.48 1u2s n GLN 90 N 4.75 1.95 0.06 5.86 1.13 -1.26 -4.97 117.38 124.89 1u2s n GLN 90 Ca 0.09 -4.51 -0.11 0.00 -1.94 0.00 0.00 57.00 50.52 1u2s n GLN 90 Cb 0.49 -2.28 -0.04 0.00 0.11 0.00 0.00 30.24 28.52 1u2s n GLN 90 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1u2s h ARG 91 N 5.16 -0.31 -0.66 -1.09 2.43 -1.94 -2.70 114.38 115.27 1u2s h ARG 91 Ca 0.16 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.44 1u2s h ARG 91 Cb 0.74 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.29 1u2s h ARG 91 CO 0.74 -0.21 0.29 -0.44 -1.51 0.00 0.00 179.97 178.84 1u2s h ASP 92 N -0.33 0.35 -0.03 -3.80 5.19 -1.96 0.45 116.42 116.29 1u2s h ASP 92 Ca 0.06 0.07 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1u2s h ASP 92 Cb 0.40 0.02 -0.00 0.00 0.18 0.00 0.00 39.33 39.93 1u2s h ASP 92 CO -0.19 0.20 0.02 0.40 -3.12 0.00 0.00 179.24 176.55 1u2s h ILE 93 N 0.51 1.10 -0.84 0.35 2.04 -1.97 -0.54 117.51 118.14 1u2s h ILE 93 Ca 0.33 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.92 1u2s h ILE 93 Cb 0.37 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.64 1u2s h ILE 93 CO -0.28 0.08 0.55 -0.07 0.00 0.00 0.00 178.15 178.42 1u2s h LEU 94 N -0.06 0.98 -0.90 1.44 3.38 -1.13 -2.37 115.31 116.64 1u2s h LEU 94 Ca 0.01 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.89 1u2s h LEU 94 Cb 0.11 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 1u2s h LEU 94 CO -0.00 0.71 0.15 -0.61 0.09 0.00 0.00 178.44 178.79 1u2s h GLN 95 N 1.15 0.96 -0.77 1.13 4.15 -0.70 -1.02 115.11 120.01 1u2s h GLN 95 Ca 0.31 -0.21 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1u2s h GLN 95 Cb -0.12 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.40 1u2s h GLN 95 CO -0.07 0.85 0.41 0.00 -1.93 0.00 0.00 178.83 178.09 1u2s h ALA 96 N 1.24 0.99 0.28 3.38 0.00 -0.60 0.15 119.26 124.70 1u2s h ALA 96 Ca 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1u2s h ALA 96 Cb 0.32 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1u2s h ALA 96 CO -0.00 0.51 -0.13 0.82 0.00 0.00 0.00 179.25 180.45 1u2s h ILE 97 N 1.07 0.76 -0.88 0.00 2.04 -1.05 -3.04 117.51 116.40 1u2s h ILE 97 Ca 0.27 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1u2s h ILE 97 Cb 0.06 1.07 -0.04 0.00 -0.74 0.00 0.00 36.82 37.16 1u2s h ILE 97 CO -0.04 0.12 0.59 0.00 0.00 0.00 0.00 178.15 178.81 1u2s h ALA 98 N -0.10 1.38 0.00 1.87 0.00 -1.09 -1.76 119.26 119.56 1u2s h ALA 98 Ca -0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1u2s h ALA 98 Cb 0.48 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1u2s h ALA 98 CO 0.06 0.57 -0.04 -0.44 0.00 0.00 0.00 179.25 179.40 1u2s h ASP 99 N 1.18 0.00 0.17 0.00 3.32 -0.69 -2.38 116.42 118.03 1u2s h ASP 99 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1u2s h ASP 99 Cb -0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1u2s h ASP 99 CO -0.08 0.04 0.00 0.61 -1.72 0.00 0.00 179.24 178.09 1u2s n GLY 100 N -0.87 -1.00 3.53 2.75 0.00 -0.66 -4.72 105.19 104.23 1u2s n GLY 100 Ca -0.02 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1u2s n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u2s s PHE 101 N -2.19 3.10 0.35 1.61 0.08 -0.90 -4.95 117.98 115.08 1u2s s PHE 101 Ca 0.37 0.06 0.11 0.00 0.12 0.00 0.00 56.93 57.60 1u2s s PHE 101 Cb 0.19 -3.23 0.90 0.00 -0.57 0.00 0.00 43.02 40.31 1u2s s PHE 101 CO 0.36 -0.77 1.80 1.49 -0.10 0.00 0.00 175.22 178.00 1u2s h GLU 102 N 8.72 0.58 0.00 0.44 4.57 -1.89 -0.23 114.58 126.77 1u2s h GLU 102 Ca -0.26 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1u2s h GLU 102 Cb 1.10 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1u2s h GLU 102 CO 0.86 0.38 0.00 0.00 -1.18 0.00 0.00 179.01 179.08 1u2s n ALA 103 N -2.41 1.85 -2.75 2.92 0.00 -1.26 -4.73 120.51 114.13 1u2s n ALA 103 Ca 0.23 -0.07 -0.34 0.00 0.00 0.00 0.00 53.44 53.26 1u2s n ALA 103 Cb 0.67 -1.29 -0.11 0.00 0.00 0.00 0.00 19.45 18.72 1u2s n ALA 103 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1u2s s LEU 104 N -2.90 3.35 -0.09 0.00 1.43 -0.10 -0.83 118.68 119.55 1u2s s LEU 104 Ca 0.11 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1u2s s LEU 104 Cb 0.12 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.57 1u2s s LEU 104 CO 0.31 0.30 -0.18 -1.59 0.23 0.00 0.00 176.35 175.42 1u2s s LYS 105 N -0.40 2.36 0.36 1.70 0.00 -0.69 -4.84 119.74 118.24 1u2s s LYS 105 Ca 0.07 -0.64 -0.28 0.00 0.00 0.00 0.00 55.97 55.12 1u2s s LYS 105 Cb -0.12 -1.87 -0.12 0.00 0.00 0.00 0.00 37.83 35.72 1u2s s LYS 105 CO 0.02 0.07 1.34 -2.30 0.00 0.00 0.00 175.35 174.49 1u2s n PRO 106 N 3.77 2.27 -1.74 1.78 -0.02 -1.26 -0.08 135.00 139.71 1u2s n PRO 106 Ca -0.21 0.80 -0.29 0.00 -2.02 0.00 0.00 63.50 61.77 1u2s n PRO 106 Cb 0.52 -2.43 0.09 0.00 -0.02 0.00 0.00 33.50 31.66 1u2s n PRO 106 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1u2s s GLN 107 N -1.98 2.01 0.62 -0.52 -0.21 -0.17 -4.74 119.66 114.66 1u2s s GLN 107 Ca 0.55 0.34 -0.18 0.00 0.02 0.00 0.00 55.36 56.09 1u2s s GLN 107 Cb -0.54 -1.94 -0.05 0.00 1.00 0.00 0.00 33.01 31.49 1u2s s GLN 107 CO 0.62 -1.61 0.84 0.43 -2.12 0.00 0.00 175.29 173.45 1u2s n SER 108 N -3.37 0.19 -0.34 5.90 7.64 -1.26 -4.85 113.62 117.53 1u2s n SER 108 Ca 0.07 0.76 0.12 0.00 1.01 0.00 0.00 58.87 60.83 1u2s n SER 108 Cb 0.59 -1.33 0.31 0.00 -1.01 0.00 0.00 64.21 62.77 1u2s n SER 108 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1u2s h PRO 109 N 0.27 0.70 0.00 1.43 0.11 -1.96 -0.10 132.00 132.47 1u2s h PRO 109 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1u2s h PRO 109 Cb 1.37 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u2s h PRO 109 CO 0.49 0.47 0.00 1.28 -0.21 0.00 0.00 178.00 180.03 1u2s n LEU 110 N -4.80 0.17 -0.21 2.35 4.77 -1.26 -0.79 117.00 117.23 1u2s n LEU 110 Ca 0.23 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.89 1u2s n LEU 110 Cb 0.56 -0.56 0.28 0.00 -2.33 0.00 0.00 43.42 41.38 1u2s n LEU 110 CO 0.21 -0.50 0.53 -0.62 -1.33 0.00 0.00 177.39 175.68 1u2s n GLU 111 N -1.70 0.65 -3.94 3.23 -0.58 -0.05 -4.85 120.64 113.39 1u2s n GLU 111 Ca 0.01 -0.41 -0.25 0.00 -0.42 0.00 0.00 57.16 56.09 1u2s n GLU 111 Cb 0.08 -1.49 -0.03 0.00 -0.57 0.00 0.00 31.44 29.43 1u2s n GLU 111 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1u2s s GLN 112 N -2.64 3.44 0.25 3.49 -1.52 0.03 -4.74 119.66 117.97 1u2s s GLN 112 Ca 0.20 -0.62 -0.19 0.00 -1.95 0.00 0.00 55.36 52.81 1u2s s GLN 112 Cb 0.19 -2.95 0.02 0.00 -0.22 0.00 0.00 33.01 30.04 1u2s s GLN 112 CO 0.58 0.50 0.61 0.54 -0.25 0.00 0.00 175.29 177.28 1u2s s ASN 113 N -3.35 -0.24 0.47 5.90 2.20 -1.06 -5.00 114.94 113.85 1u2s s ASN 113 Ca 0.35 -0.61 0.30 0.00 -0.94 0.00 0.00 52.86 51.95 1u2s s ASN 113 Cb -0.11 0.66 1.37 0.00 -2.00 0.00 0.00 41.25 41.17 1u2s s ASN 113 CO 0.29 -1.21 1.74 -0.65 -2.94 0.00 0.00 177.10 174.32 1u2s h PRO 114 N 2.10 0.16 -0.29 3.55 0.11 -1.99 -1.27 132.00 134.37 1u2s h PRO 114 Ca -0.24 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.83 1u2s h PRO 114 Cb 1.26 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 1u2s h PRO 114 CO 0.30 0.10 0.00 0.91 -0.21 0.00 0.00 178.00 179.11 1u2s n TRP 115 N -4.43 1.03 -3.60 0.65 8.01 -1.26 -4.80 117.44 113.04 1u2s n TRP 115 Ca 0.29 -0.97 -0.11 0.00 -1.31 0.00 0.00 57.50 55.40 1u2s n TRP 115 Cb 1.21 -0.35 -0.11 0.00 -2.01 0.00 0.00 31.31 30.05 1u2s n TRP 115 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 1u2s s LYS 116 N -2.89 0.25 -0.28 -0.99 2.20 -0.48 -4.24 119.74 113.32 1u2s s LYS 116 Ca 0.43 0.79 -0.02 0.00 -0.36 0.00 0.00 55.97 56.81 1u2s s LYS 116 Cb 0.35 -0.04 0.04 0.00 -1.51 0.00 0.00 37.83 36.66 1u2s s LYS 116 CO 0.08 -0.36 -0.02 0.42 -0.36 0.00 0.00 175.35 175.11 1u2s s ILE 117 N 2.51 3.03 0.04 5.43 1.01 -0.54 -2.56 121.20 130.12 1u2s s ILE 117 Ca 0.02 -1.16 0.08 0.00 0.00 0.00 0.00 60.65 59.59 1u2s s ILE 117 Cb -0.13 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1u2s s ILE 117 CO -0.12 0.04 -0.23 -0.44 0.00 0.00 0.00 174.94 174.20 1u2s s SER 118 N 1.31 3.45 0.23 3.58 0.01 -1.26 0.14 113.70 121.17 1u2s s SER 118 Ca -0.02 -0.51 0.01 0.00 1.31 0.00 0.00 55.95 56.74 1u2s s SER 118 Cb -0.18 -0.44 -0.04 0.00 0.21 0.00 0.00 66.02 65.57 1u2s s SER 118 CO -0.02 0.26 0.16 -0.31 0.41 0.00 0.00 173.24 173.73 1u2s s TYR 119 N -0.85 1.32 -0.07 2.43 2.02 -0.31 -1.00 117.35 120.89 1u2s s TYR 119 Ca 0.13 -1.41 0.05 0.00 -0.37 0.00 0.00 57.07 55.47 1u2s s TYR 119 Cb -0.10 -0.63 -0.01 0.00 -0.40 0.00 0.00 41.96 40.81 1u2s s TYR 119 CO 0.03 -0.65 -0.23 -1.01 -1.57 0.00 0.00 175.55 172.12 1u2s s HIS 120 N -3.97 2.51 0.05 2.71 3.76 0.89 -1.64 115.29 119.60 1u2s s HIS 120 Ca 0.39 -0.73 -0.23 0.00 -0.15 0.00 0.00 55.06 54.34 1u2s s HIS 120 Cb 0.06 -1.64 -0.06 0.00 1.11 0.00 0.00 32.58 32.05 1u2s s HIS 120 CO 0.15 -0.22 0.69 -1.17 -0.85 0.00 0.00 174.74 173.33 1u2s s LEU 121 N -0.08 4.47 0.16 0.89 2.96 0.22 -1.70 118.68 125.60 1u2s s LEU 121 Ca -0.06 1.36 -0.32 0.00 -0.22 0.00 0.00 54.13 54.89 1u2s s LEU 121 Cb -0.14 -3.09 -0.12 0.00 0.50 0.00 0.00 46.19 43.33 1u2s s LEU 121 CO 0.05 0.10 1.74 -0.67 -1.32 0.00 0.00 176.35 176.25 1u2s n ASP 122 N 2.48 3.84 0.32 3.68 -0.08 -0.01 -4.84 116.55 121.93 1u2s n ASP 122 Ca -0.05 1.04 0.20 0.00 -1.51 0.00 0.00 54.79 54.46 1u2s n ASP 122 Cb 0.50 -1.53 1.06 0.00 2.34 0.00 0.00 41.12 43.49 1u2s n ASP 122 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1u2s h PRO 123 N 7.26 0.00 -0.00 -0.67 0.11 -1.92 -0.13 132.00 136.64 1u2s h PRO 123 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1u2s h PRO 123 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1u2s h PRO 123 CO 0.94 0.00 -0.73 1.04 -0.21 0.00 0.00 178.00 179.04 1u2s n GLN 124 N -3.24 0.29 -2.95 1.05 1.13 -1.26 -4.96 117.38 107.44 1u2s n GLN 124 Ca -0.02 -0.22 -0.32 0.00 -1.94 0.00 0.00 57.00 54.49 1u2s n GLN 124 Cb 0.16 -1.50 -0.06 0.00 0.11 0.00 0.00 30.24 28.95 1u2s n GLN 124 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1u2s s ALA 125 N -2.86 3.21 -0.11 -1.58 0.00 -0.06 -5.03 121.76 115.32 1u2s s ALA 125 Ca 0.12 0.15 -0.30 0.00 0.00 0.00 0.00 51.96 51.93 1u2s s ALA 125 Cb 0.17 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.36 1u2s s ALA 125 CO 0.75 0.19 1.17 0.00 0.00 0.00 0.00 175.76 177.88 1u2s h PRO 127 N 7.61 0.00 0.00 0.00 0.11 -1.95 -1.35 132.00 136.41 1u2s h PRO 127 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1u2s h PRO 127 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1u2s h PRO 127 CO 0.91 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.49 1u2s h THR 128 N 0.00 0.00 0.00 -1.15 1.35 -2.02 -0.82 112.91 110.27 1u2s h THR 128 Ca 0.05 -0.09 -0.02 0.00 -0.55 0.00 0.00 66.41 65.80 1u2s h THR 128 Cb 0.85 0.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1u2s h THR 128 CO -0.00 0.00 -0.08 1.62 -0.25 0.00 0.00 175.52 176.81 1u2s h VAL 129 N 0.00 0.43 -0.40 6.82 3.04 -1.64 -0.80 116.25 123.70 1u2s h VAL 129 Ca 0.00 -0.39 -0.13 0.00 -1.01 0.00 0.00 66.70 65.18 1u2s h VAL 129 Cb 0.12 1.27 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 1u2s h VAL 129 CO 0.00 0.07 -0.27 0.40 -1.01 0.00 0.00 177.57 176.77 1u2s h ILE 130 N 0.00 1.27 -0.69 3.17 1.08 -1.38 -1.19 117.51 119.78 1u2s h ILE 130 Ca -0.00 -1.41 -0.04 0.00 -0.39 0.00 0.00 64.86 63.02 1u2s h ILE 130 Cb 0.26 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.23 1u2s h ILE 130 CO 0.01 0.47 0.28 0.44 -0.69 0.00 0.00 178.15 178.66 1u2s h ASP 131 N 0.71 0.94 -0.45 1.72 3.45 -1.30 0.91 116.42 122.42 1u2s h ASP 131 Ca 0.09 -0.17 -0.05 0.00 0.43 0.00 0.00 57.03 57.32 1u2s h ASP 131 Cb 0.81 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.32 1u2s h ASP 131 CO 0.07 0.86 0.07 1.56 -1.57 0.00 0.00 179.24 180.22 1u2s h GLN 132 N 0.98 0.74 -0.07 3.56 4.20 -1.24 -1.24 115.11 122.04 1u2s h GLN 132 Ca 0.23 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1u2s h GLN 132 Cb 0.20 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 1u2s h GLN 132 CO -0.02 0.77 0.03 1.25 -0.67 0.00 0.00 178.83 180.19 1u2s h LEU 133 N 0.60 0.04 -0.13 1.46 5.85 -0.91 -0.92 115.31 121.30 1u2s h LEU 133 Ca 0.13 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.89 1u2s h LEU 133 Cb 0.39 -0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1u2s h LEU 133 CO 0.01 0.03 -0.08 0.74 -0.34 0.00 0.00 178.44 178.81 1u2s h THR 134 N 0.06 0.76 -0.25 1.05 2.02 -0.65 0.74 112.91 116.65 1u2s h THR 134 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1u2s h THR 134 Cb 0.01 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1u2s h THR 134 CO -0.02 0.00 0.16 -0.08 0.37 0.00 0.00 175.52 175.95 1u2s h GLU 135 N -0.07 0.33 -0.34 6.66 4.81 -1.11 -1.32 114.58 123.55 1u2s h GLU 135 Ca 0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1u2s h GLU 135 Cb 0.19 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1u2s h GLU 135 CO -0.18 0.23 0.22 1.98 -0.73 0.00 0.00 179.01 180.54 1u2s h MET 136 N 0.34 0.44 -0.37 1.92 4.05 -0.84 -2.03 114.93 118.43 1u2s h MET 136 Ca 0.09 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.47 1u2s h MET 136 Cb -0.03 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 1u2s h MET 136 CO -0.02 0.29 0.15 -0.07 0.23 0.00 0.00 176.91 177.50 1u2s h LEU 137 N 0.46 0.51 -1.25 3.39 3.38 -0.70 -3.01 115.31 118.09 1u2s h LEU 137 Ca 0.12 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1u2s h LEU 137 Cb -0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1u2s h LEU 137 CO -0.03 0.53 -0.21 0.11 0.09 0.00 0.00 178.44 178.93 1u2s h LYS 138 N 0.46 0.25 0.00 1.13 1.57 -1.12 -2.10 116.57 116.75 1u2s h LYS 138 Ca 0.12 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1u2s h LYS 138 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1u2s h LYS 138 CO -0.01 0.45 0.00 0.39 -0.57 0.00 0.00 179.45 179.71 1u2s n GLU 139 N -4.20 0.26 0.10 3.15 1.02 -0.78 -1.12 120.64 119.08 1u2s n GLU 139 Ca -0.01 0.12 0.13 0.00 -0.02 0.00 0.00 57.16 57.38 1u2s n GLU 139 Cb 0.33 -1.50 0.43 0.00 -0.02 0.00 0.00 31.44 30.68 1u2s n GLU 139 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1u2s n THR 140 N -1.20 0.61 -0.58 2.62 -2.24 -0.79 -4.88 114.28 107.82 1u2s n THR 140 Ca 0.07 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1u2s n THR 140 Cb 0.09 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1u2s n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u2s n GLY 141 N 1.11 1.72 3.68 3.38 0.00 -0.27 -4.99 105.19 109.81 1u2s n GLY 141 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1u2s n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u2s s ILE 142 N -3.53 4.77 -0.93 -0.61 1.01 -1.26 -4.91 121.20 115.73 1u2s s ILE 142 Ca 0.00 2.01 -0.26 0.00 0.00 0.00 0.00 60.65 62.40 1u2s s ILE 142 Cb 0.00 -4.30 -0.18 0.00 0.01 0.00 0.00 42.46 37.98 1u2s s ILE 142 CO 0.00 -0.03 2.27 -2.16 0.00 0.00 0.00 174.94 175.02 1u2s s PRO 143 N 2.26 1.36 0.24 2.79 0.04 -1.26 -4.79 135.00 135.65 1u2s s PRO 143 Ca 0.47 0.04 0.11 0.00 0.04 0.00 0.00 61.00 61.66 1u2s s PRO 143 Cb -0.17 -4.88 -0.05 0.00 0.04 0.00 0.00 34.50 29.44 1u2s s PRO 143 CO 0.15 -5.01 -0.17 0.54 0.04 0.00 0.00 177.00 172.55 1u2s s VAL 144 N 16.03 2.68 0.02 -0.36 0.11 -1.26 -1.36 120.40 136.25 1u2s s VAL 144 Ca 0.87 -2.14 0.03 0.00 -2.93 0.00 0.00 61.98 57.82 1u2s s VAL 144 Cb -0.09 -2.37 -0.02 0.00 -1.53 0.00 0.00 36.38 32.37 1u2s s VAL 144 CO 0.13 -0.28 -0.11 -1.58 -3.33 0.00 0.00 175.10 169.93 1u2s s GLN 145 N -3.22 0.76 -0.17 1.54 0.74 0.16 -4.58 119.66 114.89 1u2s s GLN 145 Ca 0.27 -0.55 0.00 0.00 0.05 0.00 0.00 55.36 55.13 1u2s s GLN 145 Cb -0.06 -0.71 0.00 0.00 1.10 0.00 0.00 33.01 33.34 1u2s s GLN 145 CO 0.14 0.18 -0.16 0.08 -0.55 0.00 0.00 175.29 174.99 1u2s s VAL 146 N -0.64 2.54 -0.19 1.34 1.01 -1.26 -1.76 120.40 121.44 1u2s s VAL 146 Ca 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 61.98 61.16 1u2s s VAL 146 Cb -0.06 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 1u2s s VAL 146 CO 0.00 0.51 -0.06 -0.63 0.00 0.00 0.00 175.10 174.92 1u2s s ILE 147 N 1.03 3.40 -0.18 2.22 1.01 0.26 -4.95 121.20 123.98 1u2s s ILE 147 Ca -0.01 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.14 1u2s s ILE 147 Cb -0.15 -2.51 0.03 0.00 0.01 0.00 0.00 42.46 39.85 1u2s s ILE 147 CO -0.04 0.46 -0.14 0.12 0.00 0.00 0.00 174.94 175.34 1u2s s PHE 148 N 0.99 2.55 0.03 3.97 5.36 -1.26 -0.14 117.98 129.47 1u2s s PHE 148 Ca -0.00 -1.58 0.00 0.00 -0.96 0.00 0.00 56.93 54.39 1u2s s PHE 148 Cb -0.15 -1.74 -0.02 0.00 -0.34 0.00 0.00 43.02 40.77 1u2s s PHE 148 CO 0.00 -0.76 -0.04 -1.54 -1.46 0.00 0.00 175.22 171.43 1u2s s SER 149 N 1.36 0.38 -1.89 6.13 1.04 -0.40 -4.34 113.70 115.98 1u2s s SER 149 Ca 0.02 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1u2s s SER 149 Cb -0.15 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.07 1u2s s SER 149 CO -0.10 -0.30 0.00 -1.20 0.98 0.00 0.00 173.24 172.62 1u2s n SER 150 N 1.49 -5.49 -0.77 7.02 7.64 -1.26 -1.09 113.62 121.15 1u2s n SER 150 Ca -0.23 0.22 -0.07 0.00 1.01 0.00 0.00 58.87 59.80 1u2s n SER 150 Cb 0.55 -4.71 -0.03 0.00 -1.01 0.00 0.00 64.21 59.01 1u2s n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u2s n GLY 151 N -0.72 0.69 0.31 0.23 0.00 -1.26 -4.56 105.19 99.89 1u2s n GLY 151 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1u2s n GLY 151 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1u2s n LYS 152 N -0.77 0.00 -2.98 1.61 4.81 -0.91 -4.84 118.16 115.08 1u2s n LYS 152 Ca -0.07 0.00 -0.40 0.00 -0.87 0.00 0.00 58.31 56.96 1u2s n LYS 152 Cb 0.38 -0.50 -0.04 0.00 0.02 0.00 0.00 35.03 34.88 1u2s n LYS 152 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1u2s s ASP 153 N -3.49 6.98 -0.16 3.14 -0.00 -0.25 -0.61 116.67 122.29 1u2s s ASP 153 Ca 0.00 1.19 0.01 0.00 -0.00 0.00 0.00 52.55 53.75 1u2s s ASP 153 Cb 0.00 -2.43 0.02 0.00 -0.00 0.00 0.00 42.92 40.51 1u2s s ASP 153 CO 0.00 -0.22 -0.19 -0.69 -0.00 0.00 0.00 175.17 174.07 1u2s s VAL 154 N 1.29 1.91 -0.08 -1.27 1.01 -0.65 -1.27 120.40 121.33 1u2s s VAL 154 Ca 0.38 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.54 1u2s s VAL 154 Cb -0.17 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 1u2s s VAL 154 CO 0.17 0.52 -0.24 -1.81 0.00 0.00 0.00 175.10 173.73 1u2s s ASP 155 N 1.16 3.06 -0.26 3.32 1.01 0.80 -1.17 116.67 124.60 1u2s s ASP 155 Ca 0.00 -0.54 -0.07 0.00 0.71 0.00 0.00 52.55 52.65 1u2s s ASP 155 Cb -0.14 -1.20 -0.02 0.00 1.01 0.00 0.00 42.92 42.56 1u2s s ASP 155 CO -0.08 0.19 0.08 -0.76 0.21 0.00 0.00 175.17 174.80 1u2s s LEU 156 N 0.17 3.53 0.15 1.23 1.02 0.12 -0.58 118.68 124.32 1u2s s LEU 156 Ca -0.14 -0.29 0.02 0.00 0.02 0.00 0.00 54.13 53.75 1u2s s LEU 156 Cb -0.16 -1.92 -0.04 0.00 0.02 0.00 0.00 46.19 44.08 1u2s s LEU 156 CO 0.07 -0.06 -0.02 -0.76 0.02 0.00 0.00 176.35 175.60 1u2s s LEU 157 N 1.60 2.23 0.65 1.79 1.43 -0.72 -1.47 118.68 124.19 1u2s s LEU 157 Ca 0.06 -1.12 -0.16 0.00 -1.03 0.00 0.00 54.13 51.87 1u2s s LEU 157 Cb -0.15 -0.06 -0.00 0.00 0.03 0.00 0.00 46.19 46.00 1u2s s LEU 157 CO 0.04 -0.54 1.16 -2.84 0.23 0.00 0.00 176.35 174.40 1u2s s PRO 158 N -3.89 2.71 0.46 1.29 0.02 -1.26 0.40 135.00 134.73 1u2s s PRO 158 Ca 0.20 1.62 0.11 0.00 0.02 0.00 0.00 61.00 62.95 1u2s s PRO 158 Cb 0.06 -1.92 1.04 0.00 0.02 0.00 0.00 34.50 33.70 1u2s s PRO 158 CO 0.01 -1.36 2.10 1.96 -0.33 0.00 0.00 177.00 179.38 1u2s h GLN 159 N 0.26 0.30 0.00 5.54 4.20 -1.47 -1.56 115.11 122.40 1u2s h GLN 159 Ca -0.48 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.21 1u2s h GLN 159 Cb 1.27 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1u2s h GLN 159 CO 0.53 0.20 0.00 0.54 -0.67 0.00 0.00 178.83 179.43 1u2s n ARG 160 N -4.50 0.19 -0.07 1.46 1.74 -1.26 -4.74 116.66 109.48 1u2s n ARG 160 Ca 0.01 0.42 0.00 0.00 -0.77 0.00 0.00 57.85 57.50 1u2s n ARG 160 Cb 0.08 -1.86 0.00 0.00 -1.02 0.00 0.00 32.46 29.66 1u2s n ARG 160 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1u2s n SER 161 N -2.21 0.00 0.00 0.55 2.88 -0.59 -4.66 113.62 109.60 1u2s n SER 161 Ca 0.02 -0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1u2s n SER 161 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 1u2s n SER 161 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1u2s n ASN 162 N -0.60 0.00 0.15 -3.46 2.85 -1.21 -4.30 115.26 108.69 1u2s n ASN 162 Ca 0.00 0.00 0.01 0.00 -0.11 0.00 0.00 54.58 54.48 1u2s n ASN 162 Cb 0.00 0.00 0.21 0.00 1.24 0.00 0.00 39.78 41.23 1u2s n ASN 162 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1u2s h LYS 163 N 0.00 0.00 -0.07 1.20 1.57 -1.82 -2.41 116.57 115.05 1u2s h LYS 163 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1u2s h LYS 163 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1u2s h LYS 163 CO 0.00 0.55 -0.18 0.78 -0.57 0.00 0.00 179.45 180.02 1u2s h GLY 164 N 2.01 0.26 1.65 3.86 0.00 -1.88 -1.57 103.07 107.39 1u2s h GLY 164 Ca -0.01 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 1u2s h GLY 164 CO 0.07 0.30 -0.15 3.43 0.00 0.00 0.00 176.54 180.19 1u2s h ASN 165 N -0.26 0.41 -0.10 0.19 2.35 -1.74 -0.55 115.58 115.88 1u2s h ASN 165 Ca -0.00 -0.11 -0.11 0.00 -0.55 0.00 0.00 56.30 55.53 1u2s h ASN 165 Cb 0.80 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.04 1u2s h ASN 165 CO 0.04 0.59 -0.29 0.00 -1.65 0.00 0.00 177.43 176.13 1u2s h ALA 166 N 1.45 0.98 -0.24 -0.83 0.00 -1.45 -1.65 119.26 117.52 1u2s h ALA 166 Ca 0.07 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1u2s h ALA 166 Cb 0.51 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1u2s h ALA 166 CO 0.03 0.60 0.07 1.15 0.00 0.00 0.00 179.25 181.10 1u2s h THR 167 N 0.49 1.20 -0.07 0.00 2.02 -0.39 -0.07 112.91 116.08 1u2s h THR 167 Ca 0.06 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.56 1u2s h THR 167 Cb 0.75 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1u2s h THR 167 CO 0.06 0.20 -0.19 1.56 0.37 0.00 0.00 175.52 177.53 1u2s h GLN 168 N 0.22 0.12 -0.30 6.66 4.20 -0.98 0.15 115.11 125.17 1u2s h GLN 168 Ca 0.08 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 1u2s h GLN 168 Cb 0.24 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1u2s h GLN 168 CO -0.00 0.31 -0.26 -0.92 -0.67 0.00 0.00 178.83 177.28 1u2s h TYR 169 N 0.11 0.85 -0.49 2.96 3.20 -0.96 -2.50 116.97 120.14 1u2s h TYR 169 Ca 0.02 -0.25 -0.08 0.00 3.14 0.00 0.00 58.73 61.56 1u2s h TYR 169 Cb 0.40 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 1u2s h TYR 169 CO 0.00 0.99 -0.02 1.25 -1.64 0.00 0.00 178.16 178.74 1u2s h LEU 170 N 0.47 0.86 -0.48 2.82 5.85 -0.23 -1.30 115.31 123.30 1u2s h LEU 170 Ca 0.05 -0.32 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1u2s h LEU 170 Cb 0.83 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1u2s h LEU 170 CO 0.07 0.97 0.25 1.56 -0.34 0.00 0.00 178.44 180.95 1u2s h GLN 171 N 0.73 0.49 -0.63 1.25 4.20 -0.72 0.13 115.11 120.57 1u2s h GLN 171 Ca 0.14 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1u2s h GLN 171 Cb 0.54 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1u2s h GLN 171 CO 0.03 0.32 0.15 0.37 -0.67 0.00 0.00 178.83 179.03 1u2s h GLN 172 N 0.50 0.98 -0.15 1.46 4.15 -1.30 0.22 115.11 120.96 1u2s h GLN 172 Ca 0.20 -0.22 -0.10 0.00 0.77 0.00 0.00 58.65 59.30 1u2s h GLN 172 Cb 0.09 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.62 1u2s h GLN 172 CO -0.13 0.87 -0.36 1.25 -1.93 0.00 0.00 178.83 178.53 1u2s h HIS 173 N 0.94 0.37 -0.02 3.99 2.76 -0.35 -3.09 115.15 119.76 1u2s h HIS 173 Ca 0.20 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1u2s h HIS 173 Cb 0.33 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.21 1u2s h HIS 173 CO 0.02 0.65 -0.25 1.28 -1.30 0.00 0.00 177.93 178.33 1u2s n LEU 174 N -4.06 2.27 -3.55 0.26 4.77 0.37 -4.97 117.00 112.10 1u2s n LEU 174 Ca -0.01 -0.79 -0.24 0.00 -0.03 0.00 0.00 56.01 54.93 1u2s n LEU 174 Cb 0.46 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1u2s n LEU 174 CO 0.42 0.40 0.20 0.00 -1.33 0.00 0.00 177.39 177.08 1u2s n ALA 175 N 0.45 -1.26 -2.79 -1.18 0.00 0.61 -4.69 120.51 111.65 1u2s n ALA 175 Ca 0.12 0.37 -0.35 0.00 0.00 0.00 0.00 53.44 53.59 1u2s n ALA 175 Cb 0.50 -5.21 -0.10 0.00 0.00 0.00 0.00 19.45 14.64 1u2s n ALA 175 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1u2s s MET 176 N -6.26 3.45 0.52 0.00 1.00 -0.32 -4.72 119.30 112.97 1u2s s MET 176 Ca 0.56 -0.39 -0.12 0.00 0.00 0.00 0.00 55.69 55.74 1u2s s MET 176 Cb -0.25 -2.97 -0.06 0.00 0.00 0.00 0.00 34.83 31.56 1u2s s MET 176 CO 0.69 0.49 0.92 -1.21 0.00 0.00 0.00 175.02 175.91 1u2s s GLU 177 N -0.27 3.73 0.42 2.03 0.41 -1.26 -4.57 118.70 119.19 1u2s s GLU 177 Ca 0.07 0.66 0.09 0.00 -0.41 0.00 0.00 54.97 55.38 1u2s s GLU 177 Cb -0.12 -2.21 0.92 0.00 -1.78 0.00 0.00 34.13 30.94 1u2s s GLU 177 CO 0.02 -0.31 2.04 -1.35 -0.49 0.00 0.00 175.26 175.18 1u2s h PRO 178 N 0.48 0.48 0.00 0.39 0.11 -1.93 -0.64 132.00 130.89 1u2s h PRO 178 Ca -0.46 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1u2s h PRO 178 Cb 1.19 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1u2s h PRO 178 CO 0.62 0.32 -0.10 0.66 -0.21 0.00 0.00 178.00 179.29 1u2s h SER 179 N 0.50 0.00 -0.47 -2.05 4.64 -1.93 -1.50 113.55 112.73 1u2s h SER 179 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1u2s h SER 179 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1u2s h SER 179 CO -0.04 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.02 1u2s n GLN 180 N -3.52 2.52 -4.57 4.77 6.02 -0.27 -4.87 117.38 117.45 1u2s n GLN 180 Ca -0.02 -2.31 -0.33 0.00 -0.01 0.00 0.00 57.00 54.34 1u2s n GLN 180 Cb 0.24 -1.52 -0.11 0.00 1.02 0.00 0.00 30.24 29.87 1u2s n GLN 180 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1u2s s THR 181 N -1.38 3.59 -0.13 5.09 2.01 -0.57 -0.95 115.64 123.30 1u2s s THR 181 Ca 0.41 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.74 1u2s s THR 181 Cb 0.23 -2.51 0.04 0.00 0.01 0.00 0.00 72.50 70.27 1u2s s THR 181 CO 0.32 0.49 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.50 1u2s s LEU 182 N -1.11 1.14 -0.08 4.42 2.96 -0.38 -1.38 118.68 124.25 1u2s s LEU 182 Ca 0.15 -0.45 -0.04 0.00 -0.22 0.00 0.00 54.13 53.56 1u2s s LEU 182 Cb -0.11 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.84 1u2s s LEU 182 CO 0.04 -0.20 0.11 0.68 -1.32 0.00 0.00 176.35 175.67 1u2s s VAL 183 N 1.79 5.16 -0.04 1.68 -7.23 0.38 -0.72 120.40 121.41 1u2s s VAL 183 Ca 0.02 -0.02 0.03 0.00 -1.81 0.00 0.00 61.98 60.21 1u2s s VAL 183 Cb -0.14 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.53 1u2s s VAL 183 CO -0.07 0.54 -0.14 0.00 -0.31 0.00 0.00 175.10 175.12 1u2s s GLY 185 N 0.22 0.53 0.00 0.00 0.00 -1.04 -2.00 107.32 105.05 1u2s s GLY 185 Ca -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.82 1u2s s GLY 185 CO 0.02 -0.50 0.00 2.09 0.00 0.00 0.00 173.10 174.71 1u2s n ASP 186 N -0.84 0.12 -2.45 1.64 5.75 -1.26 -2.59 116.55 116.92 1u2s n ASP 186 Ca -0.03 -0.01 -0.12 0.00 -0.01 0.00 0.00 54.79 54.62 1u2s n ASP 186 Cb 0.61 0.04 -0.04 0.00 -1.03 0.00 0.00 41.12 40.69 1u2s n ASP 186 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1u2s n SER 187 N -0.05 0.29 0.33 -1.12 3.41 -1.26 0.12 113.62 115.33 1u2s n SER 187 Ca 0.00 -2.17 0.21 0.00 -0.26 0.00 0.00 58.87 56.65 1u2s n SER 187 Cb 0.00 0.74 1.12 0.00 -0.26 0.00 0.00 64.21 65.82 1u2s n SER 187 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1u2s h GLY 188 N 1.00 0.00 -0.36 5.00 0.00 -1.91 -0.85 103.07 105.95 1u2s h GLY 188 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1u2s h GLY 188 CO 0.22 0.00 0.00 1.16 0.00 0.00 0.00 176.54 177.92 1u2s n ASN 189 N -3.20 0.87 -0.15 0.19 6.94 -1.26 -3.01 115.26 115.64 1u2s n ASN 189 Ca -0.03 -1.77 0.03 0.00 -0.02 0.00 0.00 54.58 52.80 1u2s n ASN 189 Cb 0.10 -0.08 -0.00 0.00 -2.36 0.00 0.00 39.78 37.43 1u2s n ASN 189 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1u2s n ASP 190 N -0.13 0.97 -0.23 0.53 8.00 -0.32 -4.62 116.55 120.76 1u2s n ASP 190 Ca 0.11 -0.98 0.06 0.00 0.71 0.00 0.00 54.79 54.68 1u2s n ASP 190 Cb 0.17 0.48 0.31 0.00 -0.02 0.00 0.00 41.12 42.06 1u2s n ASP 190 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1u2s h ILE 191 N 0.72 1.04 0.00 0.53 2.04 -1.58 0.11 117.51 120.37 1u2s h ILE 191 Ca 0.00 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.56 1u2s h ILE 191 Cb 0.22 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.41 1u2s h ILE 191 CO 0.00 0.16 -0.04 1.23 0.00 0.00 0.00 178.15 179.49 1u2s h GLY 192 N 0.85 0.00 1.10 5.37 0.00 -1.81 -0.92 103.07 107.66 1u2s h GLY 192 Ca 0.34 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.51 1u2s h GLY 192 CO -0.12 0.00 -0.42 1.41 0.00 0.00 0.00 176.54 177.41 1u2s h LEU 193 N 0.00 0.94 -0.16 3.11 3.38 -1.27 -3.09 115.31 118.22 1u2s h LEU 193 Ca -0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1u2s h LEU 193 Cb 0.09 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1u2s h LEU 193 CO 0.01 1.25 0.00 0.49 0.09 0.00 0.00 178.44 180.27 1u2s n PHE 194 N -4.09 0.91 0.26 1.13 3.01 -0.59 -2.30 117.46 115.79 1u2s n PHE 194 Ca -0.03 0.28 0.14 0.00 1.01 0.00 0.00 57.45 58.85 1u2s n PHE 194 Cb 0.56 -0.96 0.35 0.00 -0.01 0.00 0.00 39.48 39.42 1u2s n PHE 194 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1u2s h GLU 195 N 0.00 0.00 -7.30 -1.08 5.08 -1.13 -3.45 114.58 106.70 1u2s h GLU 195 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 1u2s h GLU 195 Cb 0.65 0.00 0.15 0.00 0.50 0.00 0.00 28.75 30.06 1u2s h GLU 195 CO 0.00 0.00 0.27 0.99 -1.00 0.00 0.00 179.01 179.27 1u2s s THR 196 N -3.35 2.87 -2.09 1.13 2.01 -0.97 -4.94 115.64 110.29 1u2s s THR 196 Ca 0.05 0.28 0.14 0.00 0.31 0.00 0.00 61.69 62.47 1u2s s THR 196 Cb 0.07 -2.66 0.35 0.00 0.01 0.00 0.00 72.50 70.26 1u2s s THR 196 CO 0.62 -0.37 1.36 -1.54 -0.69 0.00 0.00 174.62 174.00 1u2s n SER 197 N -3.81 1.55 -4.84 3.53 3.41 -1.26 -4.90 113.62 107.30 1u2s n SER 197 Ca 0.09 -1.87 -0.30 0.00 -0.26 0.00 0.00 58.87 56.53 1u2s n SER 197 Cb 0.53 -0.16 0.07 0.00 -0.26 0.00 0.00 64.21 64.40 1u2s n SER 197 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u2s s ALA 198 N -1.68 2.52 0.37 7.33 0.00 -1.26 -4.64 121.76 124.40 1u2s s ALA 198 Ca 0.25 -0.27 -0.26 0.00 0.00 0.00 0.00 51.96 51.68 1u2s s ALA 198 Cb 0.13 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 20.09 1u2s s ALA 198 CO 0.18 -1.49 1.11 1.03 0.00 0.00 0.00 175.76 176.60 1u2s s ARG 199 N -5.25 4.24 0.05 0.00 1.81 -0.48 -4.84 118.95 114.48 1u2s s ARG 199 Ca 0.60 1.72 0.01 0.00 -1.72 0.00 0.00 55.73 56.33 1u2s s ARG 199 Cb -0.13 -2.76 -0.03 0.00 -0.45 0.00 0.00 34.95 31.58 1u2s s ARG 199 CO 0.53 -0.12 -0.05 0.20 -0.68 0.00 0.00 175.30 175.18 1u2s s GLY 200 N -1.21 0.48 -0.05 -3.53 0.00 -0.44 -0.47 107.32 102.10 1u2s s GLY 200 Ca 0.54 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 44.34 1u2s s GLY 200 CO 0.35 -1.03 -0.13 0.54 0.00 0.00 0.00 173.10 172.83 1u2s s VAL 201 N -2.49 1.16 -0.27 1.40 0.11 0.55 -0.72 120.40 120.14 1u2s s VAL 201 Ca -0.03 -0.53 -0.07 0.00 -2.93 0.00 0.00 61.98 58.42 1u2s s VAL 201 Cb -0.02 -1.04 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 1u2s s VAL 201 CO -0.04 0.35 0.08 -0.63 -3.33 0.00 0.00 175.10 171.54 1u2s s ILE 202 N 0.40 4.23 0.61 7.04 1.01 -0.22 -2.48 121.20 131.78 1u2s s ILE 202 Ca -0.09 -0.38 -0.19 0.00 0.00 0.00 0.00 60.65 59.98 1u2s s ILE 202 Cb -0.13 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 1u2s s ILE 202 CO 0.03 0.21 1.31 0.68 0.00 0.00 0.00 174.94 177.17 1u2s s VAL 203 N 1.58 2.09 0.41 2.92 -7.23 -1.07 -1.83 120.40 117.27 1u2s s VAL 203 Ca 0.05 0.06 0.10 0.00 -1.81 0.00 0.00 61.98 60.38 1u2s s VAL 203 Cb -0.16 -3.03 0.30 0.00 0.56 0.00 0.00 36.38 34.05 1u2s s VAL 203 CO 0.03 -0.01 2.00 -0.09 -0.31 0.00 0.00 175.10 176.73 1u2s h ARG 204 N 0.89 0.51 -0.95 4.82 9.65 -1.39 -1.58 114.38 126.34 1u2s h ARG 204 Ca -0.51 -0.03 -0.14 0.00 -1.10 0.00 0.00 59.98 58.20 1u2s h ARG 204 Cb 1.32 -0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 29.70 1u2s h ARG 204 CO 0.55 0.34 0.18 0.27 2.80 0.00 0.00 179.97 184.10 1u2s n ASN 205 N -4.47 3.16 -4.74 -3.80 6.94 -1.26 -4.96 115.26 106.12 1u2s n ASN 205 Ca 0.08 -2.55 -0.37 0.00 -0.02 0.00 0.00 54.58 51.72 1u2s n ASN 205 Cb 0.24 -0.61 0.05 0.00 -2.36 0.00 0.00 39.78 37.10 1u2s n ASN 205 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1u2s s ALA 206 N -1.41 2.53 0.68 -2.53 0.00 -0.60 -4.99 121.76 115.44 1u2s s ALA 206 Ca 0.22 1.15 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 1u2s s ALA 206 Cb 0.18 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.80 1u2s s ALA 206 CO 0.05 -1.37 1.09 -0.65 0.00 0.00 0.00 175.76 174.88 1u2s s GLN 207 N -3.27 2.74 0.26 0.00 -1.52 0.31 -4.85 119.66 113.34 1u2s s GLN 207 Ca 0.78 1.26 -0.01 0.00 -1.95 0.00 0.00 55.36 55.45 1u2s s GLN 207 Cb -0.35 -1.95 0.55 0.00 -0.22 0.00 0.00 33.01 31.03 1u2s s GLN 207 CO 0.38 -1.28 1.75 -1.35 -0.25 0.00 0.00 175.29 174.54 1u2s h PRO 208 N -0.30 0.54 -0.61 2.91 0.11 -1.94 -2.35 132.00 130.35 1u2s h PRO 208 Ca -0.46 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.66 1u2s h PRO 208 Cb 1.23 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.18 1u2s h PRO 208 CO 0.54 0.36 0.36 0.93 -0.21 0.00 0.00 178.00 179.98 1u2s h GLU 209 N 0.55 0.68 -0.36 1.05 3.07 -1.93 -0.13 114.58 117.51 1u2s h GLU 209 Ca 0.47 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.22 1u2s h GLU 209 Cb 0.71 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.45 1u2s h GLU 209 CO -0.39 0.45 -0.02 1.25 -1.40 0.00 0.00 179.01 178.89 1u2s h LEU 210 N 0.70 0.65 -0.70 1.33 5.85 -1.71 -0.64 115.31 120.78 1u2s h LEU 210 Ca 0.26 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1u2s h LEU 210 Cb 0.07 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1u2s h LEU 210 CO -0.13 0.81 0.46 -0.07 -0.34 0.00 0.00 178.44 179.18 1u2s h LEU 211 N 0.47 0.81 -0.83 2.25 3.38 -1.09 0.32 115.31 120.62 1u2s h LEU 211 Ca 0.10 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1u2s h LEU 211 Cb 0.50 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1u2s h LEU 211 CO 0.02 0.60 0.26 -0.74 0.09 0.00 0.00 178.44 178.67 1u2s h HIS 212 N 0.95 1.16 -0.12 1.13 2.76 -0.89 -1.96 115.15 118.18 1u2s h HIS 212 Ca 0.26 -0.10 0.01 0.00 -2.20 0.00 0.00 60.37 58.33 1u2s h HIS 212 Cb -0.09 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.52 1u2s h HIS 212 CO -0.02 0.90 0.06 2.35 -1.30 0.00 0.00 177.93 179.92 1u2s h TRP 213 N 1.09 0.12 -0.65 5.26 7.01 -0.19 -2.69 115.95 125.89 1u2s h TRP 213 Ca 0.24 0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.33 1u2s h TRP 213 Cb 0.26 -0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.22 1u2s h TRP 213 CO 0.02 0.07 0.32 -0.92 -2.79 0.00 0.00 178.44 175.15 1u2s h TYR 214 N 0.13 0.59 -0.55 2.65 5.03 -0.60 0.13 116.97 124.35 1u2s h TYR 214 Ca 0.05 0.03 0.12 0.00 2.58 0.00 0.00 58.73 61.50 1u2s h TYR 214 Cb 0.00 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.09 1u2s h TYR 214 CO -0.08 0.23 0.38 -0.44 -1.32 0.00 0.00 178.16 176.93 1u2s h ASP 215 N 0.58 0.20 0.05 -2.11 3.45 -1.04 0.32 116.42 117.87 1u2s h ASP 215 Ca 0.31 0.01 -0.38 0.00 0.43 0.00 0.00 57.03 57.40 1u2s h ASP 215 Cb 0.29 -0.03 -0.05 0.00 -0.56 0.00 0.00 39.33 38.97 1u2s h ASP 215 CO -0.24 0.12 -2.26 0.00 -1.57 0.00 0.00 179.24 175.29 1u2s n GLN 216 N -4.44 0.68 0.00 3.56 6.02 -0.59 -4.68 117.38 117.93 1u2s n GLN 216 Ca 0.10 0.21 0.05 0.00 -0.01 0.00 0.00 57.00 57.35 1u2s n GLN 216 Cb 0.47 -1.60 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 1u2s n GLN 216 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1u2s n TRP 217 N -3.44 0.00 -1.66 1.08 7.02 0.35 -5.02 117.44 115.77 1u2s n TRP 217 Ca -0.41 0.00 -0.50 0.00 -1.02 0.00 0.00 57.50 55.57 1u2s n TRP 217 Cb 0.99 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.83 1u2s n TRP 217 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1u2s n GLY 218 N 1.08 1.00 0.33 6.99 0.00 0.11 -4.98 105.19 109.73 1u2s n GLY 218 Ca 0.03 0.77 -0.03 0.00 0.00 0.00 0.00 46.02 46.79 1u2s n GLY 218 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1u2s n ASP 219 N 4.35 1.86 0.06 1.61 -0.08 -1.26 -5.00 116.55 118.09 1u2s n ASP 219 Ca 0.20 -1.19 0.10 0.00 -1.51 0.00 0.00 54.79 52.39 1u2s n ASP 219 Cb 0.24 0.02 0.42 0.00 2.34 0.00 0.00 41.12 44.14 1u2s n ASP 219 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1u2s n SER 220 N -1.29 0.34 -0.00 1.67 3.41 -1.26 -2.00 113.62 114.48 1u2s n SER 220 Ca -0.01 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.29 1u2s n SER 220 Cb 0.06 -0.65 0.29 0.00 -0.26 0.00 0.00 64.21 63.65 1u2s n SER 220 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 1u2s n ARG 221 N -1.86 0.00 -3.46 4.33 1.85 -1.26 -4.79 116.66 111.47 1u2s n ARG 221 Ca 0.03 -0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.48 1u2s n ARG 221 Cb 0.23 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.04 1u2s n ARG 221 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1u2s s HIS 222 N -3.00 3.22 -0.21 2.89 3.76 -0.85 -1.32 115.29 119.78 1u2s s HIS 222 Ca 0.11 -0.10 -0.07 0.00 -0.15 0.00 0.00 55.06 54.86 1u2s s HIS 222 Cb 0.18 -2.58 -0.03 0.00 1.11 0.00 0.00 32.58 31.26 1u2s s HIS 222 CO 0.68 -0.39 0.05 -0.47 -0.85 0.00 0.00 174.74 173.76 1u2s s TYR 223 N 1.88 3.13 -0.48 1.40 6.14 0.11 -4.74 117.35 124.79 1u2s s TYR 223 Ca 0.09 -0.23 -0.19 0.00 0.64 0.00 0.00 57.07 57.39 1u2s s TYR 223 Cb -0.17 -2.14 0.05 0.00 0.42 0.00 0.00 41.96 40.12 1u2s s TYR 223 CO 0.11 -0.13 0.59 0.50 0.64 0.00 0.00 175.55 177.26 1u2s s ARG 224 N 0.98 3.13 0.58 4.97 3.52 -1.26 -1.06 118.95 129.81 1u2s s ARG 224 Ca 0.03 -0.82 -0.16 0.00 -0.13 0.00 0.00 55.73 54.65 1u2s s ARG 224 Cb -0.14 -4.06 -0.04 0.00 -1.56 0.00 0.00 34.95 29.14 1u2s s ARG 224 CO 0.03 -1.14 1.05 0.00 -0.81 0.00 0.00 175.30 174.43 1u2s s ALA 225 N 2.55 2.80 -0.04 6.12 0.00 -0.76 -4.96 121.76 127.45 1u2s s ALA 225 Ca 0.15 0.35 0.13 0.00 0.00 0.00 0.00 51.96 52.59 1u2s s ALA 225 Cb -0.18 -3.21 -0.23 0.00 0.00 0.00 0.00 23.12 19.50 1u2s s ALA 225 CO 0.13 -0.71 0.67 1.04 0.00 0.00 0.00 175.76 176.88 1u2s n GLN 226 N -1.96 0.63 -2.49 0.00 6.02 -1.26 -3.82 117.38 114.49 1u2s n GLN 226 Ca 0.08 0.30 -0.32 0.00 -0.01 0.00 0.00 57.00 57.05 1u2s n GLN 226 Cb 0.53 -1.80 -0.04 0.00 1.02 0.00 0.00 30.24 29.95 1u2s n GLN 226 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1u2s s SER 227 N -6.09 6.68 0.28 1.08 0.01 -1.26 -4.69 113.70 109.72 1u2s s SER 227 Ca -0.05 1.58 0.08 0.00 1.31 0.00 0.00 55.95 58.87 1u2s s SER 227 Cb 0.08 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 1u2s s SER 227 CO 0.82 -0.54 0.16 -0.94 0.41 0.00 0.00 173.24 173.15 1u2s s SER 228 N -2.90 5.11 0.67 2.44 1.04 -1.26 -1.56 113.70 117.23 1u2s s SER 228 Ca 0.59 -0.47 0.00 0.00 0.48 0.00 0.00 55.95 56.55 1u2s s SER 228 Cb -0.10 -1.08 0.00 0.00 0.10 0.00 0.00 66.02 64.94 1u2s s SER 228 CO 0.28 -0.12 0.00 1.41 0.98 0.00 0.00 173.24 175.78 1u2s n HIS 229 N -1.14 0.00 -0.14 5.02 8.25 -1.26 -2.55 115.22 123.40 1u2s n HIS 229 Ca -0.06 0.00 0.23 0.00 -0.26 0.00 0.00 57.72 57.63 1u2s n HIS 229 Cb 0.59 0.05 0.65 0.00 1.12 0.00 0.00 29.99 32.41 1u2s n HIS 229 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u2s h ALA 230 N -0.67 2.56 -0.44 -1.41 0.00 -0.92 -1.27 119.26 117.11 1u2s h ALA 230 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 1u2s h ALA 230 Cb 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1u2s h ALA 230 CO 0.00 -0.78 0.30 0.78 0.00 0.00 0.00 179.25 179.54 1u2s h GLY 231 N 0.12 0.34 2.00 0.00 0.00 -1.72 -0.84 103.07 102.96 1u2s h GLY 231 Ca 0.38 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 1u2s h GLY 231 CO -0.05 0.07 -0.31 0.00 0.00 0.00 0.00 176.54 176.25 1u2s h ALA 232 N 1.77 1.48 -0.21 3.60 0.00 -1.29 -1.77 119.26 122.84 1u2s h ALA 232 Ca 0.20 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1u2s h ALA 232 Cb 0.45 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1u2s h ALA 232 CO -0.04 0.39 -0.54 0.82 0.00 0.00 0.00 179.25 179.88 1u2s h ILE 233 N 0.00 1.30 -0.60 0.00 2.04 -1.28 0.59 117.51 119.56 1u2s h ILE 233 Ca -0.00 -1.76 -0.05 0.00 1.00 0.00 0.00 64.86 64.05 1u2s h ILE 233 Cb 0.56 1.85 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 1u2s h ILE 233 CO 0.04 0.56 0.20 -0.07 0.00 0.00 0.00 178.15 178.88 1u2s h LEU 234 N 0.46 0.87 -0.38 1.44 3.38 -1.38 -0.71 115.31 118.99 1u2s h LEU 234 Ca -0.01 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 1u2s h LEU 234 Cb 1.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 1u2s h LEU 234 CO 0.12 0.84 0.22 -0.08 0.09 0.00 0.00 178.44 179.62 1u2s h GLU 235 N 0.85 0.52 -0.61 1.13 4.81 -1.22 -2.19 114.58 117.88 1u2s h GLU 235 Ca 0.20 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1u2s h GLU 235 Cb 0.27 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1u2s h GLU 235 CO -0.01 0.41 0.18 0.00 -0.73 0.00 0.00 179.01 178.86 1u2s h ALA 236 N 1.08 0.80 -0.74 2.92 0.00 -0.64 -0.07 119.26 122.61 1u2s h ALA 236 Ca 0.14 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1u2s h ALA 236 Cb 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1u2s h ALA 236 CO -0.02 0.48 0.49 0.82 0.00 0.00 0.00 179.25 181.01 1u2s h ILE 237 N 0.87 1.06 -0.03 0.00 2.04 -0.91 0.58 117.51 121.13 1u2s h ILE 237 Ca 0.20 -0.28 -0.23 0.00 1.00 0.00 0.00 64.86 65.54 1u2s h ILE 237 Cb 0.30 0.16 0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1u2s h ILE 237 CO -0.00 0.15 -0.88 0.00 0.00 0.00 0.00 178.15 177.42 1u2s h ALA 238 N 1.59 0.14 -0.06 1.87 0.00 -0.97 -0.20 119.26 121.63 1u2s h ALA 238 Ca 0.31 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1u2s h ALA 238 Cb 0.17 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1u2s h ALA 238 CO -0.10 0.59 -0.01 1.25 0.00 0.00 0.00 179.25 180.98 1u2s h HIS 239 N 0.29 -0.03 -0.25 0.00 -0.00 -0.01 -2.07 115.15 113.09 1u2s h HIS 239 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.27 1u2s h HIS 239 Cb 1.54 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.97 1u2s h HIS 239 CO 0.11 -0.02 0.00 1.19 -0.00 0.00 0.00 177.93 179.21 1u2s n PHE 240 N -5.12 0.36 -4.07 5.26 3.01 0.10 -4.91 117.46 112.08 1u2s n PHE 240 Ca -0.06 -0.17 -0.27 0.00 1.01 0.00 0.00 57.45 57.96 1u2s n PHE 240 Cb 0.06 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 39.46 1u2s n PHE 240 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1u2s n ASP 241 N 0.23 0.11 -4.91 4.37 2.03 -0.78 -4.95 116.55 112.65 1u2s n ASP 241 Ca 0.08 -1.10 -0.27 0.00 0.52 0.00 0.00 54.79 54.03 1u2s n ASP 241 Cb 0.23 -2.58 0.03 0.00 -0.72 0.00 0.00 41.12 38.08 1u2s n ASP 241 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1u2s s PHE 242 N -4.10 3.32 -1.55 -0.67 2.99 -0.11 -4.03 117.98 113.83 1u2s s PHE 242 Ca 0.00 0.72 -0.13 0.00 0.00 0.00 0.00 56.93 57.52 1u2s s PHE 242 Cb -0.00 -2.68 0.09 0.00 0.00 0.00 0.00 43.02 40.43 1u2s s PHE 242 CO 0.92 -0.74 0.88 1.28 -0.00 0.00 0.00 175.22 177.56 1u2s n LEU 243 N -2.55 -2.38 0.00 -0.37 4.77 -1.26 -4.81 117.00 110.39 1u2s n LEU 243 Ca 0.04 -0.85 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1u2s n LEU 243 Cb 0.57 -2.44 0.00 0.00 -2.33 0.00 0.00 43.42 39.22 1u2s n LEU 243 CO 0.53 0.42 0.20 -1.20 -1.33 0.00 0.00 177.39 176.01