#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0b s THR 2 N 0.00 -0.23 0.00 2.03 2.01 -1.26 -5.04 115.64 113.16 1r0b s THR 2 Ca 0.00 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.38 1r0b s THR 2 Cb 0.00 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1r0b s THR 2 CO 0.00 -0.60 0.00 1.57 -0.69 0.00 0.00 174.62 174.90 1r0b n HIS 3 N 5.28 0.00 -3.69 4.92 -0.00 -1.26 -5.17 115.22 115.30 1r0b n HIS 3 Ca -0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.58 1r0b n HIS 3 Cb 0.44 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.33 1r0b n HIS 3 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.34 176.50 1r0b s ASP 4 N 0.00 -0.53 -0.08 0.26 -4.77 -1.26 -5.15 116.67 105.14 1r0b s ASP 4 Ca 0.00 0.94 0.04 0.00 -3.30 0.00 0.00 52.55 50.24 1r0b s ASP 4 Cb 0.00 0.86 -0.01 0.00 -1.09 0.00 0.00 42.92 42.68 1r0b s ASP 4 CO 0.00 -0.20 -0.22 0.20 0.70 0.00 0.00 175.17 175.65 1r0b s ASN 5 N 1.52 3.31 0.00 2.11 0.01 -1.26 -5.03 114.94 115.60 1r0b s ASN 5 Ca -0.09 -0.47 0.00 0.00 -0.71 0.00 0.00 52.86 51.59 1r0b s ASN 5 Cb -0.08 -1.15 0.00 0.00 0.41 0.00 0.00 41.25 40.43 1r0b s ASN 5 CO -0.13 0.21 0.00 2.29 -1.51 0.00 0.00 177.10 177.96 1r0b n LYS 6 N 3.17 0.00 -3.00 -0.60 2.85 -1.26 -5.05 118.16 114.27 1r0b n LYS 6 Ca -0.18 0.00 -0.44 0.00 -1.05 0.00 0.00 58.31 56.64 1r0b n LYS 6 Cb 0.52 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.86 1r0b n LYS 6 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1r0b s LEU 7 N 0.00 5.00 -0.18 -5.58 1.43 -1.26 -3.83 118.68 114.26 1r0b s LEU 7 Ca 0.00 -1.31 -0.00 0.00 -1.03 0.00 0.00 54.13 51.79 1r0b s LEU 7 Cb 0.00 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.87 1r0b s LEU 7 CO 0.00 -1.24 0.02 0.00 0.23 0.00 0.00 176.35 175.36 1r0b n GLN 8 N 6.86 -0.26 -4.29 1.70 6.02 -1.26 -5.06 117.38 121.09 1r0b n GLN 8 Ca -0.05 0.10 -0.23 0.00 -0.01 0.00 0.00 57.00 56.81 1r0b n GLN 8 Cb 0.44 -3.61 -0.07 0.00 1.02 0.00 0.00 30.24 28.02 1r0b n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1r0b s VAL 9 N -2.23 3.48 0.10 5.09 1.01 -1.25 -5.15 120.40 121.45 1r0b s VAL 9 Ca 0.01 -1.88 0.07 0.00 0.00 0.00 0.00 61.98 60.17 1r0b s VAL 9 Cb -0.00 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 1r0b s VAL 9 CO 0.01 -0.36 -0.17 -1.83 0.00 0.00 0.00 175.10 172.75 1r0b s GLU 10 N -3.64 1.02 -0.12 2.72 -1.05 -1.26 -4.98 118.70 111.40 1r0b s GLU 10 Ca 0.31 -1.12 -0.05 0.00 -0.15 0.00 0.00 54.97 53.96 1r0b s GLU 10 Cb -0.07 -1.12 0.06 0.00 -0.44 0.00 0.00 34.13 32.56 1r0b s GLU 10 CO 0.20 0.25 0.24 0.00 0.95 0.00 0.00 175.26 176.90 1r0b s ALA 11 N -1.41 -0.48 0.46 -0.84 0.00 -1.26 -5.16 121.76 113.07 1r0b s ALA 11 Ca 0.05 0.87 0.04 0.00 0.00 0.00 0.00 51.96 52.92 1r0b s ALA 11 Cb -0.09 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.18 1r0b s ALA 11 CO 0.04 -0.53 0.34 -0.89 0.00 0.00 0.00 175.76 174.71 1r0b n ILE 12 N 5.11 0.00 -4.12 0.00 2.08 -1.26 -5.16 119.36 116.01 1r0b n ILE 12 Ca -0.10 -1.80 -0.10 0.00 0.56 0.00 0.00 62.75 61.31 1r0b n ILE 12 Cb 0.50 -0.11 -0.10 0.00 -0.75 0.00 0.00 39.64 39.18 1r0b n ILE 12 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 1r0b s LYS 13 N -3.87 0.68 -1.03 0.38 -2.85 -1.26 -4.80 119.74 107.00 1r0b s LYS 13 Ca 0.26 -1.17 -0.05 0.00 -1.00 0.00 0.00 55.97 54.01 1r0b s LYS 13 Cb -0.02 -0.05 0.01 0.00 -2.06 0.00 0.00 37.83 35.70 1r0b s LYS 13 CO 0.16 -0.04 0.63 -2.13 0.10 0.00 0.00 175.35 174.07 1r0b n ARG 14 N 0.31 -4.50 -3.93 1.78 3.00 -1.25 -4.36 116.66 107.71 1r0b n ARG 14 Ca -0.15 0.61 -0.11 0.00 -0.00 0.00 0.00 57.85 58.21 1r0b n ARG 14 Cb 0.60 -4.91 -0.01 0.00 0.00 0.00 0.00 32.46 28.14 1r0b n ARG 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1r0b s GLY 15 N -3.00 0.75 -0.06 5.14 0.00 -0.43 -1.32 107.32 108.39 1r0b s GLY 15 Ca 0.31 -1.00 -0.03 0.00 0.00 0.00 0.00 44.72 44.00 1r0b s GLY 15 CO 0.38 -0.56 0.10 -0.51 0.00 0.00 0.00 173.10 172.51 1r0b s THR 16 N -2.81 4.98 0.21 0.90 -4.23 0.00 -0.47 115.64 114.23 1r0b s THR 16 Ca 0.21 -0.14 0.10 0.00 -1.18 0.00 0.00 61.69 60.68 1r0b s THR 16 Cb -0.03 -3.21 -0.04 0.00 1.34 0.00 0.00 72.50 70.56 1r0b s THR 16 CO 0.14 0.49 -0.12 0.68 -0.54 0.00 0.00 174.62 175.27 1r0b s VAL 17 N -1.09 2.96 -0.28 2.29 -7.23 -0.20 -1.76 120.40 115.09 1r0b s VAL 17 Ca 0.19 -1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 58.45 1r0b s VAL 17 Cb -0.12 -2.50 0.09 0.00 0.56 0.00 0.00 36.38 34.41 1r0b s VAL 17 CO 0.09 -0.21 0.06 -0.63 -0.31 0.00 0.00 175.10 174.10 1r0b s ILE 18 N -1.94 0.93 0.00 -0.62 1.01 -1.23 -2.00 121.20 117.35 1r0b s ILE 18 Ca 0.26 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.69 1r0b s ILE 18 Cb -0.08 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1r0b s ILE 18 CO 0.15 -0.50 0.01 -0.67 0.00 0.00 0.00 174.94 173.93 1r0b n ASP 19 N 4.85 0.00 -4.57 3.58 -0.08 -1.14 -3.18 116.55 116.01 1r0b n ASP 19 Ca -0.05 0.01 -0.40 0.00 -1.51 0.00 0.00 54.79 52.84 1r0b n ASP 19 Cb 0.43 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.86 1r0b n ASP 19 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 1r0b s HIS 20 N -0.01 1.40 -0.05 -0.67 3.76 -1.26 -4.38 115.29 114.08 1r0b s HIS 20 Ca 0.00 0.92 0.00 0.00 -0.15 0.00 0.00 55.06 55.84 1r0b s HIS 20 Cb 0.00 -3.91 0.02 0.00 1.11 0.00 0.00 32.58 29.81 1r0b s HIS 20 CO 0.00 -2.96 -0.03 0.42 -0.85 0.00 0.00 174.74 171.32 1r0b s ILE 21 N 9.30 0.49 0.00 0.60 1.01 -1.25 -1.25 121.20 130.10 1r0b s ILE 21 Ca 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 61.47 1r0b s ILE 21 Cb -0.21 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.70 1r0b s ILE 21 CO 0.29 0.23 0.00 -2.65 0.00 0.00 0.00 174.94 172.81 1r0b n PRO 22 N 4.38 -1.19 -2.39 2.79 -0.02 -1.26 -2.13 135.00 135.18 1r0b n PRO 22 Ca -0.20 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.86 1r0b n PRO 22 Cb 0.51 0.00 -0.03 0.00 -0.02 0.00 0.00 33.50 33.96 1r0b n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r0b s ALA 23 N -2.21 3.49 -0.02 3.55 0.00 -1.26 -3.87 121.76 121.44 1r0b s ALA 23 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 51.96 52.72 1r0b s ALA 23 Cb 0.00 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.61 1r0b s ALA 23 CO 0.00 -0.70 0.00 1.04 0.00 0.00 0.00 175.76 176.10 1r0b n GLN 24 N 4.84 -2.00 0.00 0.00 1.13 -1.26 -4.77 117.38 115.33 1r0b n GLN 24 Ca 0.11 0.45 0.11 0.00 -1.94 0.00 0.00 57.00 55.73 1r0b n GLN 24 Cb 0.46 -4.73 0.11 0.00 0.11 0.00 0.00 30.24 26.19 1r0b n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1r0b n ILE 25 N -1.78 0.00 0.18 5.09 5.41 -1.25 -3.55 119.36 123.45 1r0b n ILE 25 Ca -0.00 -0.04 0.06 0.00 1.00 0.00 0.00 62.75 63.77 1r0b n ILE 25 Cb 0.45 0.62 0.22 0.00 -0.71 0.00 0.00 39.64 40.21 1r0b n ILE 25 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1r0b h GLY 26 N 4.98 0.00 1.00 7.39 0.00 -1.86 -2.47 103.07 112.11 1r0b h GLY 26 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 1r0b h GLY 26 CO 0.00 0.00 -1.70 -2.75 0.00 0.00 0.00 176.54 172.09 1r0b h PHE 27 N 0.00 0.14 0.00 5.60 3.57 -1.97 -3.17 116.94 121.11 1r0b h PHE 27 Ca -0.00 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 1r0b h PHE 27 Cb 1.08 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1r0b h PHE 27 CO 0.00 1.19 -0.11 0.87 -2.23 0.00 0.00 178.31 178.03 1r0b h LYS 28 N 0.02 0.00 0.19 1.11 1.57 -1.58 -2.90 116.57 114.97 1r0b h LYS 28 Ca -0.29 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.17 1r0b h LYS 28 Cb 2.00 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.33 1r0b h LYS 28 CO 0.09 0.11 -1.51 -0.07 -0.57 0.00 0.00 179.45 177.51 1r0b h LEU 29 N 0.00 0.62 -2.08 2.94 3.38 -1.52 -2.36 115.31 116.28 1r0b h LEU 29 Ca -0.00 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 1r0b h LEU 29 Cb 0.22 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 1r0b h LEU 29 CO 0.01 1.60 -0.06 -0.07 0.09 0.00 0.00 178.44 180.01 1r0b h LEU 30 N 0.11 0.00 0.00 1.67 3.38 -1.48 -2.82 115.31 116.16 1r0b h LEU 30 Ca -0.25 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.39 1r0b h LEU 30 Cb 2.09 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.78 1r0b h LEU 30 CO 0.22 0.06 -2.20 -1.54 0.09 0.00 0.00 178.44 175.08 1r0b n SER 31 N -3.40 2.10 0.29 -0.43 3.41 -1.16 -2.13 113.62 112.29 1r0b n SER 31 Ca -0.02 0.03 0.15 0.00 -0.26 0.00 0.00 58.87 58.77 1r0b n SER 31 Cb 0.21 -0.44 0.88 0.00 -0.26 0.00 0.00 64.21 64.59 1r0b n SER 31 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1r0b h LEU 32 N -0.28 0.00 -3.08 1.04 5.85 -1.48 -2.38 115.31 114.97 1r0b h LEU 32 Ca -0.50 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.19 1r0b h LEU 32 Cb 1.63 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 1r0b h LEU 32 CO -0.17 0.05 -0.26 0.49 -0.34 0.00 0.00 178.44 178.21 1r0b n PHE 33 N -3.65 0.27 -3.64 1.25 3.72 -1.07 -4.96 117.46 109.38 1r0b n PHE 33 Ca -0.02 -1.35 -0.19 0.00 -0.05 0.00 0.00 57.45 55.84 1r0b n PHE 33 Cb 0.15 -0.27 -0.02 0.00 -0.94 0.00 0.00 39.48 38.39 1r0b n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1r0b n LYS 34 N -1.16 -0.81 0.00 -1.08 5.02 -0.90 -4.75 118.16 114.48 1r0b n LYS 34 Ca 0.21 -0.09 0.10 0.00 -2.02 0.00 0.00 58.31 56.51 1r0b n LYS 34 Cb 0.76 -1.29 0.53 0.00 -0.02 0.00 0.00 35.03 35.01 1r0b n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1r0b n LEU 35 N -2.89 0.00 -0.18 -0.35 4.77 -0.91 -2.99 117.00 114.46 1r0b n LEU 35 Ca -0.11 0.24 0.08 0.00 -0.03 0.00 0.00 56.01 56.18 1r0b n LEU 35 Cb 0.31 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.12 1r0b n LEU 35 CO 0.40 -0.08 0.11 0.41 -1.33 0.00 0.00 177.39 176.90 1r0b n THR 36 N -1.24 0.00 -0.22 -5.08 -1.04 -1.26 -4.48 114.28 100.96 1r0b n THR 36 Ca 0.11 -0.23 -0.05 0.00 -2.04 0.00 0.00 64.05 61.84 1r0b n THR 36 Cb 0.15 1.10 0.06 0.00 -1.82 0.00 0.00 70.33 69.81 1r0b n THR 36 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1r0b h GLU 37 N 0.90 0.78 -6.35 -2.82 4.39 -1.91 -3.41 114.58 106.17 1r0b h GLU 37 Ca 0.00 -0.05 -0.54 0.00 0.34 0.00 0.00 59.36 59.11 1r0b h GLU 37 Cb 0.47 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1r0b h GLU 37 CO 0.00 0.52 0.95 0.95 -1.16 0.00 0.00 179.01 180.26 1r0b s THR 38 N -6.13 3.54 0.00 1.13 -4.23 -1.26 -4.88 115.64 103.80 1r0b s THR 38 Ca -0.13 0.86 -0.00 0.00 -1.18 0.00 0.00 61.69 61.24 1r0b s THR 38 Cb 0.14 -3.56 -0.01 0.00 1.34 0.00 0.00 72.50 70.42 1r0b s THR 38 CO 0.76 -0.03 1.91 0.47 -0.54 0.00 0.00 174.62 177.20 1r0b n ASP 39 N 5.96 4.95 -4.64 3.99 10.43 -1.26 -4.83 116.55 131.16 1r0b n ASP 39 Ca 0.15 -2.31 -0.24 0.00 2.57 0.00 0.00 54.79 54.96 1r0b n ASP 39 Cb 0.43 -1.06 0.11 0.00 1.84 0.00 0.00 41.12 42.44 1r0b n ASP 39 CO 0.00 0.00 0.00 -1.58 -1.07 0.00 0.00 177.20 174.55 1r0b s GLN 40 N 0.19 1.62 -0.38 -1.24 2.00 -1.26 -5.02 119.66 115.56 1r0b s GLN 40 Ca 0.02 -0.98 -0.20 0.00 -2.00 0.00 0.00 55.36 52.21 1r0b s GLN 40 Cb 0.01 -2.27 0.01 0.00 0.80 0.00 0.00 33.01 31.56 1r0b s GLN 40 CO 0.00 -1.52 0.60 0.50 -0.50 0.00 0.00 175.29 174.37 1r0b s ARG 41 N -5.22 3.52 0.36 1.67 3.52 -1.26 -4.99 118.95 116.56 1r0b s ARG 41 Ca 0.66 -0.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 1r0b s ARG 41 Cb -0.06 -3.86 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 1r0b s ARG 41 CO 0.45 -0.80 0.57 0.42 -0.81 0.00 0.00 175.30 175.13 1r0b s ILE 42 N 2.65 4.99 -0.08 4.11 1.09 -1.26 -2.04 121.20 130.66 1r0b s ILE 42 Ca 0.22 -0.44 -0.04 0.00 -1.10 0.00 0.00 60.65 59.29 1r0b s ILE 42 Cb -0.15 -3.83 0.04 0.00 -1.06 0.00 0.00 42.46 37.47 1r0b s ILE 42 CO 0.16 -0.55 0.18 -0.89 -0.10 0.00 0.00 174.94 173.73 1r0b s THR 43 N -2.35 -0.14 -0.02 2.92 2.01 -0.92 -4.92 115.64 112.21 1r0b s THR 43 Ca 0.41 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.65 1r0b s THR 43 Cb -0.10 -0.30 0.01 0.00 0.01 0.00 0.00 72.50 72.13 1r0b s THR 43 CO 0.37 0.10 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.74 1r0b s ILE 44 N 1.62 0.28 -0.02 1.82 1.01 -1.26 0.11 121.20 124.76 1r0b s ILE 44 Ca -0.05 -0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.61 1r0b s ILE 44 Cb -0.12 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 1r0b s ILE 44 CO -0.07 0.12 -0.24 -0.83 0.00 0.00 0.00 174.94 173.93 1r0b s GLY 45 N 0.45 1.16 0.09 6.18 0.00 0.13 -4.94 107.32 110.38 1r0b s GLY 45 Ca -0.05 -1.02 0.06 0.00 0.00 0.00 0.00 44.72 43.72 1r0b s GLY 45 CO -0.01 -0.85 -0.17 1.08 0.00 0.00 0.00 173.10 173.16 1r0b s LEU 46 N -0.56 2.30 -1.25 0.66 1.43 -1.26 0.61 118.68 120.61 1r0b s LEU 46 Ca 0.09 -0.66 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1r0b s LEU 46 Cb -0.09 -0.66 0.07 0.00 0.03 0.00 0.00 46.19 45.53 1r0b s LEU 46 CO -0.01 -0.03 0.44 0.59 0.23 0.00 0.00 176.35 177.58 1r0b n ASN 47 N 1.14 -3.63 -4.74 2.29 3.02 -1.20 -4.93 115.26 107.20 1r0b n ASN 47 Ca -0.20 -0.34 -0.30 0.00 -0.03 0.00 0.00 54.58 53.71 1r0b n ASN 47 Cb 0.54 -3.02 0.12 0.00 -0.61 0.00 0.00 39.78 36.81 1r0b n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r0b s LEU 48 N -6.40 2.55 -0.03 3.41 1.43 -0.46 -4.67 118.68 114.51 1r0b s LEU 48 Ca 0.37 1.58 -0.35 0.00 -1.03 0.00 0.00 54.13 54.70 1r0b s LEU 48 Cb -0.19 -4.11 -0.13 0.00 0.03 0.00 0.00 46.19 41.78 1r0b s LEU 48 CO 0.45 -2.37 1.74 -2.65 0.23 0.00 0.00 176.35 173.75 1r0b n PRO 49 N -3.72 1.95 0.00 1.29 -0.02 -1.26 -2.71 135.00 130.52 1r0b n PRO 49 Ca 0.08 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1r0b n PRO 49 Cb 0.55 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1r0b n PRO 49 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1r0b n SER 50 N 5.26 0.70 -4.69 2.55 2.88 -1.26 -4.78 113.62 114.28 1r0b n SER 50 Ca 0.21 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.35 1r0b n SER 50 Cb 0.26 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.74 1r0b n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r0b n GLY 51 N 0.00 0.44 0.37 0.46 0.00 -1.24 -4.69 105.19 100.53 1r0b n GLY 51 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1r0b n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r0b n GLU 52 N -0.27 0.02 0.00 1.61 1.02 -1.26 -2.67 120.64 119.08 1r0b n GLU 52 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1r0b n GLU 52 Cb 0.41 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.83 1r0b n GLU 52 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1r0b n MET 53 N 0.24 0.00 -2.08 3.49 0.00 -1.26 -5.10 117.12 112.40 1r0b n MET 53 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.46 1r0b n MET 53 Cb 0.00 -0.03 0.15 0.00 0.00 0.00 0.00 33.22 33.34 1r0b n MET 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1r0b n GLY 54 N 3.53 -0.44 3.30 3.17 0.00 -1.09 -5.07 105.19 108.58 1r0b n GLY 54 Ca 0.00 -1.86 -0.19 0.00 0.00 0.00 0.00 46.02 43.97 1r0b n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r0b s ARG 55 N -5.31 1.71 0.00 1.61 0.52 -1.26 -3.73 118.95 112.50 1r0b s ARG 55 Ca 0.66 -1.99 -0.03 0.00 -0.52 0.00 0.00 55.73 53.85 1r0b s ARG 55 Cb -0.03 0.21 -0.01 0.00 0.52 0.00 0.00 34.95 35.65 1r0b s ARG 55 CO 0.45 -0.60 0.04 -1.59 0.02 0.00 0.00 175.30 173.62 1r0b s LYS 56 N -3.56 0.27 -0.04 3.54 -2.85 -1.10 -4.40 119.74 111.60 1r0b s LYS 56 Ca 0.39 -0.32 -0.02 0.00 -1.00 0.00 0.00 55.97 55.02 1r0b s LYS 56 Cb 0.03 0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.87 1r0b s LYS 56 CO 0.24 -0.05 0.08 -0.51 0.10 0.00 0.00 175.35 175.21 1r0b s ASP 57 N -0.92 5.76 -0.02 0.03 1.11 -0.91 -1.36 116.67 120.35 1r0b s ASP 57 Ca -0.10 0.21 0.06 0.00 0.18 0.00 0.00 52.55 52.90 1r0b s ASP 57 Cb -0.06 -1.70 -0.01 0.00 1.07 0.00 0.00 42.92 42.22 1r0b s ASP 57 CO 0.00 0.32 -0.20 -0.76 1.18 0.00 0.00 175.17 175.71 1r0b s LEU 58 N -1.46 2.02 -0.54 1.23 1.43 0.20 -3.96 118.68 117.60 1r0b s LEU 58 Ca 0.20 -0.38 0.04 0.00 -1.03 0.00 0.00 54.13 52.96 1r0b s LEU 58 Cb -0.12 -1.06 0.16 0.00 0.03 0.00 0.00 46.19 45.20 1r0b s LEU 58 CO 0.10 0.23 0.37 -0.63 0.23 0.00 0.00 176.35 176.65 1r0b s ILE 59 N -0.35 1.77 -1.27 -0.59 1.01 -1.19 0.18 121.20 120.76 1r0b s ILE 59 Ca 0.05 -3.31 -0.19 0.00 0.00 0.00 0.00 60.65 57.20 1r0b s ILE 59 Cb -0.09 -2.20 0.04 0.00 0.01 0.00 0.00 42.46 40.22 1r0b s ILE 59 CO 0.00 -1.03 1.77 -0.54 0.00 0.00 0.00 174.94 175.15 1r0b s LYS 60 N -0.48 3.68 -0.50 2.79 1.02 0.30 -3.49 119.74 123.06 1r0b s LYS 60 Ca 0.25 -1.82 -0.28 0.00 0.02 0.00 0.00 55.97 54.14 1r0b s LYS 60 Cb -0.09 -5.48 0.01 0.00 -0.52 0.00 0.00 37.83 31.75 1r0b s LYS 60 CO -0.12 -2.61 1.46 0.42 -0.92 0.00 0.00 175.35 173.58 1r0b s ILE 61 N 5.61 3.79 0.17 2.17 1.01 -0.72 -2.17 121.20 131.05 1r0b s ILE 61 Ca 0.57 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.64 1r0b s ILE 61 Cb 0.03 -4.29 -0.08 0.00 0.01 0.00 0.00 42.46 38.13 1r0b s ILE 61 CO 0.09 -0.97 1.18 -0.70 0.00 0.00 0.00 174.94 174.53 1r0b s GLU 62 N 5.40 4.50 -0.70 2.79 2.12 -0.87 -2.19 118.70 129.75 1r0b s GLU 62 Ca 0.58 1.84 -0.01 0.00 0.36 0.00 0.00 54.97 57.73 1r0b s GLU 62 Cb -0.12 -3.26 0.00 0.00 0.26 0.00 0.00 34.13 31.01 1r0b s GLU 62 CO 0.28 -0.07 0.11 -1.71 -0.54 0.00 0.00 175.26 173.33 1r0b n ASN 63 N 2.62 -3.23 -3.95 -1.70 2.85 -0.44 -4.28 115.26 107.12 1r0b n ASN 63 Ca 0.04 -0.06 -0.10 0.00 -0.11 0.00 0.00 54.58 54.36 1r0b n ASN 63 Cb 0.45 -2.36 -0.11 0.00 1.24 0.00 0.00 39.78 39.00 1r0b n ASN 63 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1r0b s THR 64 N -2.60 0.09 -0.02 -0.44 -4.23 -1.25 -4.93 115.64 102.26 1r0b s THR 64 Ca 0.06 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 1r0b s THR 64 Cb -0.02 -0.25 0.01 0.00 1.34 0.00 0.00 72.50 73.58 1r0b s THR 64 CO 0.07 -0.42 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.33 1r0b s PHE 65 N -1.26 0.50 -0.09 3.99 0.08 -1.26 -0.82 117.98 119.12 1r0b s PHE 65 Ca -0.14 -0.10 -0.00 0.00 0.12 0.00 0.00 56.93 56.81 1r0b s PHE 65 Cb -0.08 -0.43 -0.03 0.00 -0.57 0.00 0.00 43.02 41.91 1r0b s PHE 65 CO -0.01 -0.09 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.46 1r0b s LEU 66 N 0.48 3.25 0.43 -0.37 1.43 -1.26 -5.08 118.68 117.56 1r0b s LEU 66 Ca -0.05 -0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 52.92 1r0b s LEU 66 Cb -0.09 -1.73 -0.06 0.00 0.03 0.00 0.00 46.19 44.34 1r0b s LEU 66 CO -0.00 0.33 0.81 -0.55 0.23 0.00 0.00 176.35 177.17 1r0b s SER 67 N -0.62 6.52 0.11 2.29 0.15 -1.26 -4.81 113.70 116.07 1r0b s SER 67 Ca 0.10 1.21 -0.06 0.00 0.70 0.00 0.00 55.95 57.90 1r0b s SER 67 Cb -0.12 -2.36 0.15 0.00 -1.71 0.00 0.00 66.02 61.98 1r0b s SER 67 CO 0.02 -0.45 0.66 -0.62 1.20 0.00 0.00 173.24 174.05 1r0b n GLU 68 N -1.42 -0.07 0.06 5.44 -0.58 -1.26 0.12 120.64 122.93 1r0b n GLU 68 Ca 0.03 0.66 -0.10 0.00 -0.42 0.00 0.00 57.16 57.33 1r0b n GLU 68 Cb 0.54 -0.98 -0.06 0.00 -0.57 0.00 0.00 31.44 30.37 1r0b n GLU 68 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1r0b h ASP 69 N 0.00 -1.03 -0.57 1.62 3.32 -1.99 -2.23 116.42 115.55 1r0b h ASP 69 Ca 0.17 0.11 0.12 0.00 0.02 0.00 0.00 57.03 57.45 1r0b h ASP 69 Cb 0.28 0.38 -0.10 0.00 0.22 0.00 0.00 39.33 40.12 1r0b h ASP 69 CO -0.43 -0.35 -0.00 1.56 -1.72 0.00 0.00 179.24 178.30 1r0b h GLN 70 N -0.46 0.11 -0.74 3.56 4.20 -0.68 -0.66 115.11 120.44 1r0b h GLN 70 Ca -0.00 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.82 1r0b h GLN 70 Cb 0.47 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 28.15 1r0b h GLN 70 CO -0.20 0.07 0.34 0.28 -0.67 0.00 0.00 178.83 178.65 1r0b h VAL 71 N 0.12 0.76 -0.67 -0.54 2.07 -1.23 -1.10 116.25 115.65 1r0b h VAL 71 Ca 0.29 -0.18 0.13 0.00 0.82 0.00 0.00 66.70 67.76 1r0b h VAL 71 Cb 0.46 0.18 -0.09 0.00 -1.52 0.00 0.00 31.29 30.31 1r0b h VAL 71 CO -0.48 0.10 0.18 0.44 0.02 0.00 0.00 177.57 177.83 1r0b h ASP 72 N 0.54 0.08 0.00 0.57 3.45 -0.50 0.19 116.42 120.74 1r0b h ASP 72 Ca 0.38 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.96 1r0b h ASP 72 Cb 0.49 0.15 0.00 0.00 -0.56 0.00 0.00 39.33 39.41 1r0b h ASP 72 CO -0.33 0.02 0.21 1.56 -1.57 0.00 0.00 179.24 179.13 1r0b h GLN 73 N 0.31 0.00 0.04 3.56 1.08 -1.04 0.12 115.11 119.18 1r0b h GLN 73 Ca 0.36 0.00 -0.25 0.00 -1.45 0.00 0.00 58.65 57.31 1r0b h GLN 73 Cb 0.56 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 1r0b h GLN 73 CO -0.43 0.00 -1.27 -0.07 -0.95 0.00 0.00 178.83 176.11 1r0b h LEU 74 N 0.00 0.15 -1.21 1.46 3.38 -0.65 -3.34 115.31 115.09 1r0b h LEU 74 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1r0b h LEU 74 Cb 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1r0b h LEU 74 CO 0.00 1.15 0.48 0.00 0.09 0.00 0.00 178.44 180.16 1r0b h ALA 75 N 0.83 1.44 -0.12 1.53 0.00 -0.72 0.59 119.26 122.80 1r0b h ALA 75 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1r0b h ALA 75 Cb 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1r0b h ALA 75 CO 0.14 -0.44 0.00 1.28 0.00 0.00 0.00 179.25 180.23 1r0b n LEU 76 N -2.53 0.75 0.00 0.00 4.77 -1.25 -4.07 117.00 114.66 1r0b n LEU 76 Ca -0.01 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.61 1r0b n LEU 76 Cb 0.51 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1r0b n LEU 76 CO 0.08 0.18 0.00 -1.22 -1.33 0.00 0.00 177.39 175.10 1r0b n TYR 77 N -0.14 0.00 -3.56 -1.77 4.02 0.19 -5.02 117.16 110.87 1r0b n TYR 77 Ca 0.07 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.67 1r0b n TYR 77 Cb 0.13 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.33 1r0b n TYR 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1r0b s ALA 78 N -1.00 1.39 -0.65 -0.72 0.00 -0.13 -4.78 121.76 115.86 1r0b s ALA 78 Ca 0.00 -2.11 0.21 0.00 0.00 0.00 0.00 51.96 50.06 1r0b s ALA 78 Cb 0.00 -1.71 0.87 0.00 0.00 0.00 0.00 23.12 22.29 1r0b s ALA 78 CO 0.00 -2.07 1.65 -2.30 0.00 0.00 0.00 175.76 173.03 1r0b n PRO 79 N 3.91 0.14 -0.04 0.00 -0.02 -1.26 -3.67 135.00 134.06 1r0b n PRO 79 Ca 0.10 0.36 -0.05 0.00 -2.02 0.00 0.00 63.50 61.88 1r0b n PRO 79 Cb 0.36 -1.75 -0.05 0.00 -0.02 0.00 0.00 33.50 32.04 1r0b n PRO 79 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r0b n GLN 80 N -2.01 1.59 -0.56 -0.52 10.64 -1.26 -4.44 117.38 120.82 1r0b n GLN 80 Ca 0.03 0.02 -0.09 0.00 -1.83 0.00 0.00 57.00 55.14 1r0b n GLN 80 Cb 0.22 -1.19 -0.09 0.00 -0.86 0.00 0.00 30.24 28.32 1r0b n GLN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1r0b n ALA 81 N -2.51 0.41 -1.97 2.61 0.00 -0.38 -4.72 120.51 113.95 1r0b n ALA 81 Ca -0.14 -0.30 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 1r0b n ALA 81 Cb 0.72 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 19.24 1r0b n ALA 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1r0b s THR 82 N 0.16 3.39 -1.07 0.00 -4.23 -1.26 -4.48 115.64 108.15 1r0b s THR 82 Ca 0.50 0.34 -0.22 0.00 -1.18 0.00 0.00 61.69 61.12 1r0b s THR 82 Cb -0.33 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 69.85 1r0b s THR 82 CO 0.21 -0.54 1.67 -0.69 -0.54 0.00 0.00 174.62 174.73 1r0b s VAL 83 N 8.12 3.82 -0.04 2.29 1.01 -1.18 -2.86 120.40 131.56 1r0b s VAL 83 Ca 0.77 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 61.51 1r0b s VAL 83 Cb -0.19 -4.81 -0.02 0.00 0.00 0.00 0.00 36.38 31.36 1r0b s VAL 83 CO 0.29 -1.65 0.99 0.20 0.00 0.00 0.00 175.10 174.93 1r0b s ASN 84 N 5.63 7.32 -1.28 3.32 0.02 -0.85 -3.46 114.94 125.64 1r0b s ASN 84 Ca 0.55 1.62 -0.12 0.00 -1.02 0.00 0.00 52.86 53.88 1r0b s ASN 84 Cb -0.01 -2.56 0.14 0.00 0.02 0.00 0.00 41.25 38.84 1r0b s ASN 84 CO -0.02 -0.34 1.75 -1.14 0.02 0.00 0.00 177.10 177.38 1r0b n ARG 85 N 4.34 3.39 -1.82 -0.60 0.63 -1.26 -1.03 116.66 120.30 1r0b n ARG 85 Ca 0.07 -3.50 -0.38 0.00 -0.92 0.00 0.00 57.85 53.13 1r0b n ARG 85 Cb 0.50 -3.08 0.05 0.00 0.45 0.00 0.00 32.46 30.38 1r0b n ARG 85 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1r0b s ILE 86 N 1.60 2.17 0.00 5.15 1.01 0.38 -4.61 121.20 126.90 1r0b s ILE 86 Ca 0.43 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1r0b s ILE 86 Cb 0.05 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1r0b s ILE 86 CO 0.00 -0.01 0.00 -0.67 0.00 0.00 0.00 174.94 174.26 1r0b n ASP 87 N -1.30 0.00 -0.05 3.58 -0.08 -1.26 -1.32 116.55 116.13 1r0b n ASP 87 Ca 0.12 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.30 1r0b n ASP 87 Cb 0.46 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.89 1r0b n ASP 87 CO 0.00 0.00 0.00 0.78 0.12 0.00 0.00 177.20 178.10 1r0b h ASN 88 N 0.00 0.24 -0.95 1.67 2.35 -1.93 -3.16 115.58 113.80 1r0b h ASN 88 Ca 0.00 -0.03 -0.58 0.00 -0.55 0.00 0.00 56.30 55.14 1r0b h ASN 88 Cb 0.00 -0.06 -0.29 0.00 0.05 0.00 0.00 38.32 38.02 1r0b h ASN 88 CO 0.00 0.21 0.65 0.00 -1.65 0.00 0.00 177.43 176.64 1r0b n TYR 89 N -4.93 3.02 -3.05 1.19 9.36 -1.26 -4.98 117.16 116.52 1r0b n TYR 89 Ca -0.03 -2.42 -0.33 0.00 3.32 0.00 0.00 57.90 58.44 1r0b n TYR 89 Cb 0.04 -1.14 0.03 0.00 -0.63 0.00 0.00 39.34 37.65 1r0b n TYR 89 CO 0.00 0.00 0.00 -0.85 0.22 0.00 0.00 176.86 176.23 1r0b n GLU 90 N -1.02 -1.57 -2.66 2.98 0.28 -1.19 -4.89 120.64 112.57 1r0b n GLU 90 Ca 0.59 1.15 -0.35 0.00 -0.16 0.00 0.00 57.16 58.40 1r0b n GLU 90 Cb 1.12 -1.62 -0.05 0.00 1.43 0.00 0.00 31.44 32.32 1r0b n GLU 90 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1r0b s VAL 91 N -1.18 4.01 -0.76 3.84 1.01 -1.26 -4.97 120.40 121.09 1r0b s VAL 91 Ca 0.32 1.35 0.02 0.00 0.00 0.00 0.00 61.98 63.67 1r0b s VAL 91 Cb -0.03 -3.61 0.34 0.00 0.00 0.00 0.00 36.38 33.08 1r0b s VAL 91 CO 0.72 -0.17 1.37 0.52 0.00 0.00 0.00 175.10 177.54 1r0b n VAL 92 N -0.50 4.27 -1.35 2.92 0.31 -1.26 -4.54 118.33 118.18 1r0b n VAL 92 Ca 0.07 -5.63 -0.39 0.00 -0.01 0.00 0.00 64.34 58.38 1r0b n VAL 92 Cb 0.52 -1.44 -0.03 0.00 -0.91 0.00 0.00 33.84 31.98 1r0b n VAL 92 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1r0b n GLY 93 N -0.21 4.26 3.68 2.92 0.00 -1.26 -4.92 105.19 109.66 1r0b n GLY 93 Ca 0.39 -1.50 -0.61 0.00 0.00 0.00 0.00 46.02 44.29 1r0b n GLY 93 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1r0b n LYS 94 N 3.85 0.62 -3.77 1.61 4.81 -1.26 -4.50 118.16 119.51 1r0b n LYS 94 Ca 0.76 0.22 -0.29 0.00 -0.87 0.00 0.00 58.31 58.13 1r0b n LYS 94 Cb 0.25 -1.84 -0.12 0.00 0.02 0.00 0.00 35.03 33.33 1r0b n LYS 94 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1r0b s SER 95 N 3.73 3.85 0.54 3.14 0.15 -1.22 -5.02 113.70 118.86 1r0b s SER 95 Ca 1.03 -3.18 -0.17 0.00 0.70 0.00 0.00 55.95 54.34 1r0b s SER 95 Cb -1.26 -1.26 -0.06 0.00 -1.71 0.00 0.00 66.02 61.72 1r0b s SER 95 CO 0.71 -0.18 1.02 -0.13 1.20 0.00 0.00 173.24 175.86 1r0b s ARG 96 N -0.42 3.70 0.96 5.44 0.52 -1.26 -3.07 118.95 124.82 1r0b s ARG 96 Ca 0.22 1.12 -0.11 0.00 -0.52 0.00 0.00 55.73 56.44 1r0b s ARG 96 Cb -0.14 -2.09 0.15 0.00 0.52 0.00 0.00 34.95 33.39 1r0b s ARG 96 CO -0.08 -0.49 1.01 -2.30 0.02 0.00 0.00 175.30 173.45 1r0b n PRO 97 N -1.62 -0.72 -3.54 3.54 -0.02 -1.26 -4.95 135.00 126.43 1r0b n PRO 97 Ca 0.08 -0.15 -0.10 0.00 -2.02 0.00 0.00 63.50 61.30 1r0b n PRO 97 Cb 0.53 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 1r0b n PRO 97 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1r0b s SER 98 N -2.51 0.11 0.04 2.55 0.15 -1.26 -4.98 113.70 107.80 1r0b s SER 98 Ca 0.66 0.58 -0.37 0.00 0.70 0.00 0.00 55.95 57.52 1r0b s SER 98 Cb -0.23 1.10 -0.19 0.00 -1.71 0.00 0.00 66.02 64.99 1r0b s SER 98 CO 0.60 -0.26 0.94 0.18 1.20 0.00 0.00 173.24 175.90 1r0b n LEU 99 N 5.37 -0.27 -4.81 3.45 4.77 -1.26 -4.50 117.00 119.75 1r0b n LEU 99 Ca -0.06 1.13 -0.29 0.00 -0.03 0.00 0.00 56.01 56.76 1r0b n LEU 99 Cb 0.50 -0.91 0.12 0.00 -2.33 0.00 0.00 43.42 40.79 1r0b n LEU 99 CO 0.03 -2.10 0.73 -2.84 -1.33 0.00 0.00 177.39 171.88 1r0b s PRO 100 N -0.21 1.54 0.03 3.23 0.02 -1.26 -4.98 135.00 133.37 1r0b s PRO 100 Ca 0.84 0.34 -0.18 0.00 0.02 0.00 0.00 61.00 62.02 1r0b s PRO 100 Cb -1.18 -1.88 -0.22 0.00 0.02 0.00 0.00 34.50 31.25 1r0b s PRO 100 CO 0.56 -1.94 1.16 0.93 -0.33 0.00 0.00 177.00 177.38 1r0b h GLU 101 N -1.31 0.50 -3.65 5.54 5.08 -1.91 -3.41 114.58 115.43 1r0b h GLU 101 Ca -0.49 -0.50 -0.07 0.00 -1.00 0.00 0.00 59.36 57.30 1r0b h GLU 101 Cb 1.32 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 30.57 1r0b h GLU 101 CO 0.62 1.14 -0.21 -0.98 -1.00 0.00 0.00 179.01 178.58 1r0b s ARG 102 N -3.37 1.12 0.09 2.33 1.70 -1.26 -2.03 118.95 117.53 1r0b s ARG 102 Ca -0.12 -0.97 0.05 0.00 -0.47 0.00 0.00 55.73 54.22 1r0b s ARG 102 Cb 0.05 0.42 -0.03 0.00 -0.57 0.00 0.00 34.95 34.81 1r0b s ARG 102 CO 0.84 -0.42 -0.14 -1.50 -1.08 0.00 0.00 175.30 173.00 1r0b s ILE 103 N -3.89 1.14 -0.18 4.99 2.07 -1.26 -4.86 121.20 119.21 1r0b s ILE 103 Ca 0.10 -1.46 -0.35 0.00 -1.41 0.00 0.00 60.65 57.54 1r0b s ILE 103 Cb 0.02 -1.22 0.14 0.00 0.13 0.00 0.00 42.46 41.53 1r0b s ILE 103 CO -0.05 -0.32 1.22 1.51 -1.91 0.00 0.00 174.94 175.38 1r0b s ASP 104 N -2.02 -0.13 0.00 4.50 3.84 -1.26 0.63 116.67 122.24 1r0b s ASP 104 Ca 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 52.55 52.56 1r0b s ASP 104 Cb -0.08 0.14 0.00 0.00 -1.38 0.00 0.00 42.92 41.61 1r0b s ASP 104 CO 0.02 -0.23 0.00 0.59 -0.00 0.00 0.00 175.17 175.55 1r0b n ASN 105 N -0.11 0.00 -0.01 2.11 3.02 -1.25 -4.72 115.26 114.30 1r0b n ASN 105 Ca 0.00 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.56 1r0b n ASN 105 Cb 0.58 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 1r0b n ASN 105 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1r0b n VAL 106 N -2.00 0.08 -3.60 2.41 0.24 -1.26 -4.90 118.33 109.30 1r0b n VAL 106 Ca 0.00 -0.11 -0.02 0.00 -2.04 0.00 0.00 64.34 62.17 1r0b n VAL 106 Cb 0.00 -0.03 -0.00 0.00 -1.47 0.00 0.00 33.84 32.34 1r0b n VAL 106 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1r0b n LEU 107 N -1.81 0.00 -3.49 1.34 4.77 -1.26 -2.38 117.00 114.17 1r0b n LEU 107 Ca -0.02 -0.22 0.01 0.00 -0.03 0.00 0.00 56.01 55.74 1r0b n LEU 107 Cb 0.28 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1r0b n LEU 107 CO 0.08 -0.24 0.30 0.54 -1.33 0.00 0.00 177.39 176.74 1r0b s VAL 108 N -0.32 -0.91 0.20 4.08 0.11 -1.13 -4.68 120.40 117.74 1r0b s VAL 108 Ca 0.02 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 58.75 1r0b s VAL 108 Cb -0.00 -1.00 -0.15 0.00 -1.53 0.00 0.00 36.38 33.70 1r0b s VAL 108 CO 0.01 0.00 1.28 0.00 -3.33 0.00 0.00 175.10 173.07 1r0b h PRO 110 N 3.84 0.78 -6.04 0.00 0.11 -1.96 -3.45 132.00 125.29 1r0b h PRO 110 Ca -0.44 -0.16 -0.74 0.00 0.11 0.00 0.00 66.00 64.77 1r0b h PRO 110 Cb 1.31 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1r0b h PRO 110 CO 0.73 0.72 1.18 -1.71 -0.21 0.00 0.00 178.00 178.71 1r0b n ASN 111 N -4.27 1.71 0.00 -2.05 5.15 -1.26 -4.74 115.26 109.80 1r0b n ASN 111 Ca 0.03 0.75 0.01 0.00 -0.60 0.00 0.00 54.58 54.77 1r0b n ASN 111 Cb 0.23 -1.08 0.05 0.00 -0.53 0.00 0.00 39.78 38.45 1r0b n ASN 111 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1r0b n SER 112 N 7.35 0.00 0.00 1.20 7.64 -1.26 -2.78 113.62 125.77 1r0b n SER 112 Ca 0.40 -0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.10 1r0b n SER 112 Cb 0.09 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1r0b n SER 112 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1r0b n ASN 113 N -0.74 4.67 -4.34 6.43 4.05 -1.26 -5.03 115.26 119.04 1r0b n ASN 113 Ca 0.01 0.00 -0.54 0.00 0.45 0.00 0.00 54.58 54.50 1r0b n ASN 113 Cb 0.01 0.56 -0.11 0.00 1.23 0.00 0.00 39.78 41.47 1r0b n ASN 113 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1r0b n ILE 115 N 6.86 -0.15 -0.59 0.00 0.13 -1.26 -0.50 119.36 123.85 1r0b n ILE 115 Ca 0.52 0.91 0.45 0.00 -1.10 0.00 0.00 62.75 63.54 1r0b n ILE 115 Cb 0.06 -1.49 0.71 0.00 -0.84 0.00 0.00 39.64 38.08 1r0b n ILE 115 CO 0.00 0.00 0.00 -0.24 2.80 0.00 0.00 176.55 179.11 1r0b n SER 116 N -3.79 0.05 0.15 9.51 2.88 -1.26 -1.96 113.62 119.20 1r0b n SER 116 Ca 0.19 1.00 -0.06 0.00 -1.33 0.00 0.00 58.87 58.67 1r0b n SER 116 Cb 0.72 -0.50 -0.03 0.00 -0.75 0.00 0.00 64.21 63.65 1r0b n SER 116 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1r0b h HIS 117 N 0.00 -0.37 0.00 0.66 3.86 -1.12 -3.32 115.15 114.86 1r0b h HIS 117 Ca 0.84 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 60.04 1r0b h HIS 117 Cb 3.21 0.12 0.00 0.00 1.06 0.00 0.00 27.41 31.81 1r0b h HIS 117 CO -0.00 -0.23 0.00 0.00 0.86 0.00 0.00 177.93 178.56 1r0b n ALA 118 N -2.29 2.31 -2.47 2.45 0.00 -0.83 -4.85 120.51 114.83 1r0b n ALA 118 Ca -0.05 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.31 1r0b n ALA 118 Cb 0.16 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.52 1r0b n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1r0b s GLU 119 N -0.12 0.66 -1.28 0.00 0.41 -1.24 -5.07 118.70 112.06 1r0b s GLU 119 Ca 0.00 -0.97 -0.08 0.00 -0.41 0.00 0.00 54.97 53.51 1r0b s GLU 119 Cb 0.00 0.25 -0.09 0.00 -1.78 0.00 0.00 34.13 32.51 1r0b s GLU 119 CO 0.00 -0.16 2.70 -2.30 -0.49 0.00 0.00 175.26 175.00 1r0b n PRO 120 N 0.34 3.03 -3.69 0.39 -0.02 -1.26 -4.82 135.00 128.97 1r0b n PRO 120 Ca -0.16 -1.86 -0.20 0.00 -2.02 0.00 0.00 63.50 59.26 1r0b n PRO 120 Cb 0.60 -2.62 -0.18 0.00 -0.02 0.00 0.00 33.50 31.28 1r0b n PRO 120 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1r0b s VAL 121 N 2.52 -0.05 0.98 -1.45 -7.23 -1.26 -5.15 120.40 108.76 1r0b s VAL 121 Ca 0.59 0.38 -0.13 0.00 -1.81 0.00 0.00 61.98 61.02 1r0b s VAL 121 Cb 0.16 -0.20 0.09 0.00 0.56 0.00 0.00 36.38 37.00 1r0b s VAL 121 CO -0.05 0.19 0.58 -1.20 -0.31 0.00 0.00 175.10 174.32 1r0b n SER 122 N 5.24 -1.49 -4.47 4.85 7.64 -1.26 -4.94 113.62 119.20 1r0b n SER 122 Ca -0.04 0.25 -0.29 0.00 1.01 0.00 0.00 58.87 59.79 1r0b n SER 122 Cb 0.50 -1.24 0.23 0.00 -1.01 0.00 0.00 64.21 62.69 1r0b n SER 122 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1r0b n SER 123 N -2.39 -1.60 0.00 6.43 2.88 -1.26 -4.88 113.62 112.80 1r0b n SER 123 Ca 0.07 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.53 1r0b n SER 123 Cb 0.54 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 1r0b n SER 123 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1r0b n SER 124 N -4.35 0.00 0.00 -3.46 2.88 -1.26 -3.75 113.62 103.68 1r0b n SER 124 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1r0b n SER 124 Cb 0.55 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.01 1r0b n SER 124 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1r0b n PHE 125 N 0.00 0.00 -3.15 0.66 3.01 0.21 -1.56 117.46 116.62 1r0b n PHE 125 Ca 0.00 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.49 1r0b n PHE 125 Cb 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1r0b n PHE 125 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r0b s ALA 126 N -2.00 -2.65 0.22 4.37 0.00 -1.21 -4.13 121.76 116.37 1r0b s ALA 126 Ca 0.00 0.81 -0.32 0.00 0.00 0.00 0.00 51.96 52.45 1r0b s ALA 126 Cb 0.00 -2.66 -0.13 0.00 0.00 0.00 0.00 23.12 20.33 1r0b s ALA 126 CO 0.00 -2.02 1.53 0.28 0.00 0.00 0.00 175.76 175.55 1r0b n VAL 127 N 4.95 0.58 -3.64 0.00 0.31 -0.86 -3.85 118.33 115.82 1r0b n VAL 127 Ca 0.07 -0.14 -0.06 0.00 -0.01 0.00 0.00 64.34 64.20 1r0b n VAL 127 Cb 0.56 -1.65 -0.07 0.00 -0.91 0.00 0.00 33.84 31.77 1r0b n VAL 127 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1r0b s ARG 128 N 0.14 0.62 -0.24 5.55 1.70 -1.20 -4.84 118.95 120.68 1r0b s ARG 128 Ca 0.71 1.06 -0.29 0.00 -0.47 0.00 0.00 55.73 56.74 1r0b s ARG 128 Cb -0.61 0.13 -0.01 0.00 -0.57 0.00 0.00 34.95 33.89 1r0b s ARG 128 CO 0.44 -0.13 1.30 0.15 -1.08 0.00 0.00 175.30 175.98 1r0b s LYS 129 N 1.51 4.03 -0.32 3.89 1.02 -1.26 -1.30 119.74 127.32 1r0b s LYS 129 Ca -0.09 1.43 -0.00 0.00 0.02 0.00 0.00 55.97 57.32 1r0b s LYS 129 Cb -0.05 -3.84 0.10 0.00 -0.52 0.00 0.00 37.83 33.52 1r0b s LYS 129 CO -0.18 -0.97 0.10 0.50 -0.92 0.00 0.00 175.35 173.88 1r0b s ARG 130 N 3.93 0.82 -0.34 1.68 3.52 -0.92 -4.95 118.95 122.69 1r0b s ARG 130 Ca 0.56 -1.20 -0.16 0.00 -0.13 0.00 0.00 55.73 54.80 1r0b s ARG 130 Cb -0.19 -2.14 0.02 0.00 -1.56 0.00 0.00 34.95 31.08 1r0b s ARG 130 CO 0.20 -0.99 0.39 0.00 -0.81 0.00 0.00 175.30 174.09 1r0b n ALA 131 N 4.73 -2.80 -0.88 6.12 0.00 -1.26 -3.73 120.51 122.69 1r0b n ALA 131 Ca -0.01 0.64 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1r0b n ALA 131 Cb 0.42 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.59 1r0b n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1r0b n ASN 132 N 0.21 -2.22 0.00 0.00 3.02 -1.26 -4.90 115.26 110.10 1r0b n ASN 132 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 1r0b n ASN 132 Cb 0.42 -1.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.99 1r0b n ASN 132 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1r0b n ASP 133 N -0.24 0.00 -4.15 6.41 3.85 -1.24 -5.17 116.55 116.01 1r0b n ASP 133 Ca 0.00 0.00 -0.29 0.00 -0.71 0.00 0.00 54.79 53.79 1r0b n ASP 133 Cb 0.12 0.00 -0.17 0.00 -1.35 0.00 0.00 41.12 39.73 1r0b n ASP 133 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1r0b s ILE 134 N -2.53 1.67 0.43 2.12 1.01 -1.26 -2.16 121.20 120.48 1r0b s ILE 134 Ca 0.00 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.92 1r0b s ILE 134 Cb 0.00 -1.45 0.01 0.00 0.01 0.00 0.00 42.46 41.03 1r0b s ILE 134 CO 0.00 0.47 0.58 0.00 0.00 0.00 0.00 174.94 176.00 1r0b s ALA 135 N 0.35 4.43 -0.22 9.38 0.00 -0.42 0.13 121.76 135.41 1r0b s ALA 135 Ca -0.14 -1.61 -0.17 0.00 0.00 0.00 0.00 51.96 50.04 1r0b s ALA 135 Cb -0.16 -1.69 0.06 0.00 0.00 0.00 0.00 23.12 21.33 1r0b s ALA 135 CO 0.06 -0.31 0.57 -0.51 0.00 0.00 0.00 175.76 175.57 1r0b s LEU 136 N -4.38 -0.33 -0.16 0.00 1.43 -1.01 -3.21 118.68 111.02 1r0b s LEU 136 Ca 0.54 1.18 -0.01 0.00 -1.03 0.00 0.00 54.13 54.82 1r0b s LEU 136 Cb -0.10 1.95 -0.01 0.00 0.03 0.00 0.00 46.19 48.06 1r0b s LEU 136 CO 0.33 -0.21 -0.11 -0.54 0.23 0.00 0.00 176.35 176.05 1r0b s LYS 137 N 0.76 3.35 -0.07 1.70 1.02 -1.25 -2.37 119.74 122.88 1r0b s LYS 137 Ca -0.04 -0.68 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 1r0b s LYS 137 Cb -0.05 -2.73 -0.06 0.00 -0.52 0.00 0.00 37.83 34.47 1r0b s LYS 137 CO -0.06 0.07 1.87 0.00 -0.92 0.00 0.00 175.35 176.31 1r0b h LYS 139 N 11.05 0.00 0.00 0.00 3.64 -1.56 -1.94 116.57 127.76 1r0b h LYS 139 Ca -0.43 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.90 1r0b h LYS 139 Cb 1.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 1r0b h LYS 139 CO 0.96 0.00 -0.47 1.88 -2.27 0.00 0.00 179.45 179.55 1r0b h TYR 140 N 0.00 0.00 -3.18 1.91 0.05 -1.85 -3.42 116.97 110.47 1r0b h TYR 140 Ca 0.63 0.00 -0.77 0.00 0.05 0.00 0.00 58.73 58.64 1r0b h TYR 140 Cb 2.53 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 40.04 1r0b h TYR 140 CO 0.00 0.42 0.59 0.00 -1.05 0.00 0.00 178.16 178.12 1r0b n GLU 142 N 4.27 0.07 -3.49 0.00 1.02 -1.21 -3.92 120.64 117.38 1r0b n GLU 142 Ca 0.24 -0.14 -0.15 0.00 -0.02 0.00 0.00 57.16 57.08 1r0b n GLU 142 Cb 0.44 -1.39 -0.04 0.00 -0.02 0.00 0.00 31.44 30.43 1r0b n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1r0b s LYS 143 N 6.96 1.15 0.02 3.49 1.02 -1.26 -5.00 119.74 126.11 1r0b s LYS 143 Ca 1.06 -0.12 -0.02 0.00 0.02 0.00 0.00 55.97 56.92 1r0b s LYS 143 Cb -0.62 0.53 -0.01 0.00 -0.52 0.00 0.00 37.83 37.21 1r0b s LYS 143 CO 0.42 -0.43 0.01 -1.83 -0.92 0.00 0.00 175.35 172.60 1r0b s GLU 144 N -2.44 0.35 0.19 1.68 -1.05 -1.24 -2.47 118.70 113.72 1r0b s GLU 144 Ca -0.05 -0.55 0.03 0.00 -0.15 0.00 0.00 54.97 54.25 1r0b s GLU 144 Cb -0.01 0.13 -0.05 0.00 -0.44 0.00 0.00 34.13 33.77 1r0b s GLU 144 CO -0.01 -0.07 -0.02 -0.06 0.95 0.00 0.00 175.26 176.05 1r0b s PHE 145 N -1.42 1.36 0.28 4.83 0.08 -1.00 -4.85 117.98 117.26 1r0b s PHE 145 Ca -0.15 -0.93 -0.29 0.00 0.12 0.00 0.00 56.93 55.67 1r0b s PHE 145 Cb -0.09 -0.77 -0.10 0.00 -0.57 0.00 0.00 43.02 41.50 1r0b s PHE 145 CO -0.00 -0.09 1.15 0.45 -0.10 0.00 0.00 175.22 176.63 1r0b s SER 146 N -3.22 7.14 0.36 1.36 0.15 -1.26 -2.40 113.70 115.82 1r0b s SER 146 Ca 0.24 2.35 0.15 0.00 0.70 0.00 0.00 55.95 59.40 1r0b s SER 146 Cb 0.05 -2.63 0.83 0.00 -1.71 0.00 0.00 66.02 62.57 1r0b s SER 146 CO 0.05 -0.25 1.39 1.12 1.20 0.00 0.00 173.24 176.74 1r0b h HIS 147 N 3.91 0.00 -0.11 3.44 2.07 -0.64 0.49 115.15 124.30 1r0b h HIS 147 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 1r0b h HIS 147 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1r0b h HIS 147 CO 0.59 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 175.54 1r0b n ASN 148 N -2.15 1.49 0.00 3.10 3.02 -1.26 -3.47 115.26 115.98 1r0b n ASN 148 Ca -0.01 -2.11 0.00 0.00 -0.03 0.00 0.00 54.58 52.43 1r0b n ASN 148 Cb 0.30 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 1r0b n ASN 148 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1r0b n VAL 149 N 0.04 0.00 -3.48 2.41 0.24 0.16 -4.99 118.33 112.72 1r0b n VAL 149 Ca 0.05 -0.02 -0.43 0.00 -2.04 0.00 0.00 64.34 61.90 1r0b n VAL 149 Cb 0.32 1.91 -0.07 0.00 -1.47 0.00 0.00 33.84 34.53 1r0b n VAL 149 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1r0b s VAL 150 N -0.00 4.55 0.96 3.34 1.01 -1.23 -4.78 120.40 124.25 1r0b s VAL 150 Ca 0.00 -1.77 -0.12 0.00 0.00 0.00 0.00 61.98 60.09 1r0b s VAL 150 Cb 0.00 -3.96 0.16 0.00 0.00 0.00 0.00 36.38 32.58 1r0b s VAL 150 CO 0.00 -0.82 1.09 -0.76 0.00 0.00 0.00 175.10 174.61 1r0b s LEU 151 N 1.33 1.95 0.00 3.92 1.43 -1.26 -4.84 118.68 121.21 1r0b s LEU 151 Ca 0.06 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.62 1r0b s LEU 151 Cb -0.26 -3.75 0.00 0.00 0.03 0.00 0.00 46.19 42.20 1r0b s LEU 151 CO -0.00 -2.99 0.00 0.00 0.23 0.00 0.00 176.35 173.59 1r0b n ALA 152 N -4.11 0.00 0.37 4.21 0.00 -1.26 -2.84 120.51 116.88 1r0b n ALA 152 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.55 1r0b n ALA 152 Cb 0.55 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.04 1r0b n ALA 152 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59