#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0c s THR 2 N 0.00 0.01 -0.28 2.03 -1.32 -1.26 -5.14 115.64 109.68 1r0c s THR 2 Ca 0.00 -1.52 -0.24 0.00 -1.21 0.00 0.00 61.69 58.71 1r0c s THR 2 Cb 0.00 -2.19 -0.00 0.00 -1.51 0.00 0.00 72.50 68.80 1r0c s THR 2 CO 0.00 -0.05 0.83 -2.28 -2.21 0.00 0.00 174.62 170.90 1r0c s HIS 3 N -4.04 3.24 -0.30 9.09 2.46 -1.26 -4.97 115.29 119.52 1r0c s HIS 3 Ca 0.25 0.97 -0.17 0.00 0.47 0.00 0.00 55.06 56.58 1r0c s HIS 3 Cb 0.02 -3.20 0.21 0.00 -0.13 0.00 0.00 32.58 29.48 1r0c s HIS 3 CO 0.08 -0.52 1.29 0.34 -2.47 0.00 0.00 174.74 173.45 1r0c s ASP 4 N 1.52 -0.03 0.26 9.88 2.15 -1.26 -5.20 116.67 123.98 1r0c s ASP 4 Ca 0.34 0.05 0.02 0.00 0.43 0.00 0.00 52.55 53.39 1r0c s ASP 4 Cb -0.14 1.02 -0.01 0.00 -0.30 0.00 0.00 42.92 43.49 1r0c s ASP 4 CO 0.11 -0.01 0.07 0.59 -0.17 0.00 0.00 175.17 175.76 1r0c n ASN 5 N 3.32 1.42 -3.96 -0.34 3.02 -1.26 -5.16 115.26 112.29 1r0c n ASN 5 Ca -0.15 -2.33 -0.09 0.00 -0.03 0.00 0.00 54.58 51.98 1r0c n ASN 5 Cb 0.56 0.56 -0.10 0.00 -0.61 0.00 0.00 39.78 40.18 1r0c n ASN 5 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1r0c s LYS 6 N -2.97 0.44 -0.21 3.52 -2.85 -1.26 -5.11 119.74 111.31 1r0c s LYS 6 Ca 0.10 -0.68 -0.18 0.00 -1.00 0.00 0.00 55.97 54.21 1r0c s LYS 6 Cb 0.01 0.17 -0.19 0.00 -2.06 0.00 0.00 37.83 35.75 1r0c s LYS 6 CO 0.07 -0.09 0.16 -0.11 0.10 0.00 0.00 175.35 175.48 1r0c n LEU 7 N 1.19 2.01 -0.36 2.77 7.94 -1.26 -4.31 117.00 124.97 1r0c n LEU 7 Ca -0.21 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 1r0c n LEU 7 Cb 0.57 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.55 1r0c n LEU 7 CO 0.22 0.41 0.04 0.00 -1.11 0.00 0.00 177.39 176.94 1r0c n GLN 8 N -4.25 0.11 -3.54 1.96 6.02 -1.26 -4.25 117.38 112.17 1r0c n GLN 8 Ca -0.35 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 1r0c n GLN 8 Cb 0.77 -1.04 -0.06 0.00 1.02 0.00 0.00 30.24 30.93 1r0c n GLN 8 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1r0c s VAL 9 N -1.29 -0.11 -0.11 5.09 1.01 -1.26 -5.12 120.40 118.62 1r0c s VAL 9 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 61.98 61.71 1r0c s VAL 9 Cb 0.00 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.36 1r0c s VAL 9 CO 0.00 0.00 0.88 -0.70 0.00 0.00 0.00 175.10 175.28 1r0c s GLU 10 N 1.56 4.39 -0.33 2.72 2.56 -1.26 -4.63 118.70 123.73 1r0c s GLU 10 Ca -0.06 1.15 0.09 0.00 0.00 0.00 0.00 54.97 56.15 1r0c s GLU 10 Cb -0.03 -3.53 0.46 0.00 2.00 0.00 0.00 34.13 33.03 1r0c s GLU 10 CO -0.14 -0.21 1.15 0.00 -0.56 0.00 0.00 175.26 175.49 1r0c n ALA 11 N 4.71 4.66 -0.59 6.30 0.00 -1.26 -5.09 120.51 129.24 1r0c n ALA 11 Ca 0.05 -3.77 -0.30 0.00 0.00 0.00 0.00 53.44 49.41 1r0c n ALA 11 Cb 0.50 -0.48 0.21 0.00 0.00 0.00 0.00 19.45 19.68 1r0c n ALA 11 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1r0c n ILE 12 N -0.60 0.00 -3.41 0.00 5.41 -1.26 -5.00 119.36 114.50 1r0c n ILE 12 Ca 0.36 -0.36 -0.29 0.00 1.00 0.00 0.00 62.75 63.47 1r0c n ILE 12 Cb 0.86 -0.80 -0.03 0.00 -0.71 0.00 0.00 39.64 38.96 1r0c n ILE 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 1r0c s LYS 13 N -3.94 3.62 -0.06 0.38 -2.85 -1.26 -4.89 119.74 110.74 1r0c s LYS 13 Ca 0.62 -0.05 -0.05 0.00 -1.00 0.00 0.00 55.97 55.50 1r0c s LYS 13 Cb -0.19 -2.68 0.02 0.00 -2.06 0.00 0.00 37.83 32.91 1r0c s LYS 13 CO 0.66 0.26 0.10 0.54 0.10 0.00 0.00 175.35 177.00 1r0c n ARG 14 N -0.84 -4.96 0.00 1.78 5.12 -1.26 -4.74 116.66 111.77 1r0c n ARG 14 Ca -0.02 3.64 0.00 0.00 -1.93 0.00 0.00 57.85 59.54 1r0c n ARG 14 Cb 0.54 -4.83 0.00 0.00 -1.16 0.00 0.00 32.46 27.01 1r0c n ARG 14 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1r0c n GLY 15 N 1.82 3.28 3.84 -0.13 0.00 -0.09 -1.27 105.19 112.64 1r0c n GLY 15 Ca -0.16 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.42 1r0c n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1r0c s THR 16 N -2.00 4.74 -0.06 2.61 2.01 -0.83 -1.45 115.64 120.65 1r0c s THR 16 Ca 0.00 0.97 0.03 0.00 0.31 0.00 0.00 61.69 63.00 1r0c s THR 16 Cb 0.00 -3.75 0.01 0.00 0.01 0.00 0.00 72.50 68.77 1r0c s THR 16 CO 0.00 0.15 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.24 1r0c s VAL 17 N -1.58 1.27 -0.39 3.82 1.01 -0.04 -1.58 120.40 122.91 1r0c s VAL 17 Ca 0.43 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 1r0c s VAL 17 Cb -0.15 -1.14 0.09 0.00 0.00 0.00 0.00 36.38 35.19 1r0c s VAL 17 CO 0.20 0.38 0.18 -0.63 0.00 0.00 0.00 175.10 175.23 1r0c s ILE 18 N 0.48 3.52 0.22 2.22 1.01 0.25 -1.52 121.20 127.38 1r0c s ILE 18 Ca -0.12 -1.73 0.06 0.00 0.00 0.00 0.00 60.65 58.86 1r0c s ILE 18 Cb -0.15 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.03 1r0c s ILE 18 CO 0.04 -0.53 0.21 -0.62 0.00 0.00 0.00 174.94 174.04 1r0c s ASP 19 N 1.82 5.70 -0.33 3.58 2.15 0.17 -1.44 116.67 128.33 1r0c s ASP 19 Ca 0.04 -0.14 -0.04 0.00 0.43 0.00 0.00 52.55 52.85 1r0c s ASP 19 Cb -0.22 -1.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.88 1r0c s ASP 19 CO -0.02 -0.01 0.13 1.41 -0.17 0.00 0.00 175.17 176.52 1r0c n HIS 20 N -0.93 -3.81 -3.88 -5.34 8.25 -1.25 -0.33 115.22 107.93 1r0c n HIS 20 Ca -0.08 1.66 -0.26 0.00 -0.26 0.00 0.00 57.72 58.78 1r0c n HIS 20 Cb 0.57 -3.96 -0.17 0.00 1.12 0.00 0.00 29.99 27.55 1r0c n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1r0c s ILE 21 N -1.82 0.89 0.50 1.59 1.01 -1.09 -3.69 121.20 118.59 1r0c s ILE 21 Ca 0.05 -0.21 -0.19 0.00 0.00 0.00 0.00 60.65 60.31 1r0c s ILE 21 Cb -0.01 -0.94 -0.13 0.00 0.01 0.00 0.00 42.46 41.39 1r0c s ILE 21 CO 0.77 0.35 0.22 -2.65 0.00 0.00 0.00 174.94 173.62 1r0c n PRO 22 N 4.98 0.25 -1.75 2.79 -0.02 -1.26 0.06 135.00 140.05 1r0c n PRO 22 Ca -0.11 0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 61.04 1r0c n PRO 22 Cb 0.50 -1.31 -0.03 0.00 -0.02 0.00 0.00 33.50 32.65 1r0c n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1r0c s ALA 23 N -1.79 3.92 -0.38 3.55 0.00 -1.24 -2.05 121.76 123.77 1r0c s ALA 23 Ca 0.62 1.57 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1r0c s ALA 23 Cb -0.51 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 18.92 1r0c s ALA 23 CO 0.61 -0.91 0.00 1.04 0.00 0.00 0.00 175.76 176.49 1r0c n GLN 24 N 3.90 -0.31 -0.00 0.00 1.13 -1.26 -4.90 117.38 115.95 1r0c n GLN 24 Ca 0.15 0.35 0.00 0.00 -1.94 0.00 0.00 57.00 55.56 1r0c n GLN 24 Cb 0.36 -4.06 -0.00 0.00 0.11 0.00 0.00 30.24 26.65 1r0c n GLN 24 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 1r0c n ILE 25 N -3.62 0.00 0.11 5.09 2.08 -0.87 -4.61 119.36 117.54 1r0c n ILE 25 Ca -0.05 -0.01 -0.13 0.00 0.56 0.00 0.00 62.75 63.13 1r0c n ILE 25 Cb 0.40 0.48 -0.08 0.00 -0.75 0.00 0.00 39.64 39.68 1r0c n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1r0c h GLY 26 N 0.04 -0.30 1.56 7.39 0.00 -1.87 -1.66 103.07 108.23 1r0c h GLY 26 Ca -0.00 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1r0c h GLY 26 CO 0.00 -0.11 0.30 -2.75 0.00 0.00 0.00 176.54 173.98 1r0c h PHE 27 N -0.60 0.57 -0.37 5.60 3.57 -1.95 -1.94 116.94 121.81 1r0c h PHE 27 Ca -0.03 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.32 1r0c h PHE 27 Cb 0.44 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.98 1r0c h PHE 27 CO 0.02 0.36 -0.39 0.87 -2.23 0.00 0.00 178.31 176.94 1r0c h LYS 28 N 0.61 0.91 -0.93 1.11 1.57 -1.80 -1.46 116.57 116.58 1r0c h LYS 28 Ca 0.17 -0.48 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1r0c h LYS 28 Cb -0.07 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 1r0c h LYS 28 CO -0.04 1.13 0.56 -0.07 -0.57 0.00 0.00 179.45 180.46 1r0c h LEU 29 N 0.74 1.13 0.22 2.94 3.38 -0.66 0.68 115.31 123.74 1r0c h LEU 29 Ca 0.06 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1r0c h LEU 29 Cb 0.98 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1r0c h LEU 29 CO 0.09 0.87 -0.10 -0.07 0.09 0.00 0.00 178.44 179.32 1r0c h LEU 30 N 1.29 -0.25 0.56 1.67 3.38 -1.16 -0.81 115.31 120.00 1r0c h LEU 30 Ca 0.33 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1r0c h LEU 30 Cb -0.04 0.06 0.01 0.00 0.09 0.00 0.00 40.66 40.78 1r0c h LEU 30 CO -0.06 -0.15 -0.27 0.28 0.09 0.00 0.00 178.44 178.33 1r0c h SER 31 N -0.32 -0.64 -0.96 -0.43 0.02 -0.76 -1.99 113.55 108.47 1r0c h SER 31 Ca -0.03 0.02 0.21 0.00 -0.84 0.00 0.00 61.79 61.15 1r0c h SER 31 Cb 0.25 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 62.87 1r0c h SER 31 CO 0.05 -0.37 0.62 -0.07 -1.14 0.00 0.00 176.83 175.91 1r0c h LEU 32 N -0.92 0.53 -3.19 5.07 3.38 0.29 -2.17 115.31 118.29 1r0c h LEU 32 Ca -0.08 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1r0c h LEU 32 Cb 0.58 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1r0c h LEU 32 CO 0.13 0.19 0.00 0.49 0.09 0.00 0.00 178.44 179.34 1r0c n PHE 33 N -4.60 1.09 -4.05 1.13 3.72 -0.31 -4.91 117.46 109.54 1r0c n PHE 33 Ca 0.21 -0.72 -0.43 0.00 -0.05 0.00 0.00 57.45 56.46 1r0c n PHE 33 Cb 0.69 -0.26 0.02 0.00 -0.94 0.00 0.00 39.48 38.98 1r0c n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1r0c n LYS 34 N 0.20 -0.34 0.08 -1.08 5.02 -0.79 -4.85 118.16 116.41 1r0c n LYS 34 Ca 0.21 0.08 0.12 0.00 -2.02 0.00 0.00 58.31 56.69 1r0c n LYS 34 Cb 0.83 -2.22 0.09 0.00 -0.02 0.00 0.00 35.03 33.71 1r0c n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1r0c h LEU 35 N -2.17 0.00 0.00 -0.35 3.38 -1.70 -3.30 115.31 111.17 1r0c h LEU 35 Ca -0.67 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1r0c h LEU 35 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1r0c h LEU 35 CO 0.48 0.06 -0.50 0.35 0.09 0.00 0.00 178.44 178.92 1r0c n THR 36 N -2.38 0.30 -1.39 0.22 -2.24 -1.26 -4.59 114.28 102.94 1r0c n THR 36 Ca 0.02 -0.21 -0.42 0.00 -2.27 0.00 0.00 64.05 61.16 1r0c n THR 36 Cb 0.49 -0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.55 1r0c n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1r0c n GLU 37 N -1.98 1.93 -3.83 -0.78 1.02 -1.25 -4.76 120.64 110.98 1r0c n GLU 37 Ca 0.04 -2.12 -0.05 0.00 -0.02 0.00 0.00 57.16 55.01 1r0c n GLU 37 Cb 0.41 -3.07 0.01 0.00 -0.02 0.00 0.00 31.44 28.77 1r0c n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1r0c s THR 38 N 4.73 0.00 -0.38 2.62 -1.32 -1.26 -5.04 115.64 114.98 1r0c s THR 38 Ca 0.55 -0.75 0.18 0.00 -1.21 0.00 0.00 61.69 60.47 1r0c s THR 38 Cb 0.13 -2.62 -0.25 0.00 -1.51 0.00 0.00 72.50 68.25 1r0c s THR 38 CO 0.06 0.00 0.56 0.47 -2.21 0.00 0.00 174.62 173.50 1r0c n ASP 39 N -1.05 0.79 -4.73 8.08 10.43 -1.26 -4.98 116.55 123.83 1r0c n ASP 39 Ca -0.05 -0.40 -0.35 0.00 2.57 0.00 0.00 54.79 56.56 1r0c n ASP 39 Cb 0.60 1.48 0.08 0.00 1.84 0.00 0.00 41.12 45.12 1r0c n ASP 39 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 1r0c s GLN 40 N -3.03 2.35 0.59 -1.24 -1.52 -1.26 -4.96 119.66 110.59 1r0c s GLN 40 Ca -0.01 1.81 -0.19 0.00 -1.95 0.00 0.00 55.36 55.03 1r0c s GLN 40 Cb 0.13 -1.85 -0.03 0.00 -0.22 0.00 0.00 33.01 31.03 1r0c s GLN 40 CO 0.76 -1.69 1.19 1.03 -0.25 0.00 0.00 175.29 176.33 1r0c s ARG 41 N -3.73 3.00 -0.05 2.91 0.52 -1.26 -4.87 118.95 115.45 1r0c s ARG 41 Ca 0.76 1.77 -0.02 0.00 -0.52 0.00 0.00 55.73 57.72 1r0c s ARG 41 Cb -0.31 -1.94 0.04 0.00 0.52 0.00 0.00 34.95 33.26 1r0c s ARG 41 CO 0.42 -1.17 0.11 0.42 0.02 0.00 0.00 175.30 175.10 1r0c s ILE 42 N -1.67 -0.11 -0.21 1.52 1.01 -1.26 -1.25 121.20 119.23 1r0c s ILE 42 Ca 0.76 0.26 -0.01 0.00 0.00 0.00 0.00 60.65 61.66 1r0c s ILE 42 Cb -0.29 -0.20 0.01 0.00 0.01 0.00 0.00 42.46 42.00 1r0c s ILE 42 CO 0.33 0.11 -0.12 -0.89 0.00 0.00 0.00 174.94 174.37 1r0c s THR 43 N 1.53 2.64 -0.03 2.92 2.01 -0.03 -5.01 115.64 119.67 1r0c s THR 43 Ca -0.04 -0.84 0.07 0.00 0.31 0.00 0.00 61.69 61.18 1r0c s THR 43 Cb -0.12 -2.20 -0.02 0.00 0.01 0.00 0.00 72.50 70.16 1r0c s THR 43 CO -0.05 0.42 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.44 1r0c s ILE 44 N 1.35 2.33 -0.05 1.82 1.01 -1.26 -1.60 121.20 124.79 1r0c s ILE 44 Ca 0.04 -1.00 0.01 0.00 0.00 0.00 0.00 60.65 59.70 1r0c s ILE 44 Cb -0.14 -1.84 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1r0c s ILE 44 CO -0.08 0.58 -0.06 -0.83 0.00 0.00 0.00 174.94 174.55 1r0c s GLY 45 N -0.59 0.54 -0.03 6.18 0.00 0.33 -5.00 107.32 108.74 1r0c s GLY 45 Ca 0.09 -0.15 0.05 0.00 0.00 0.00 0.00 44.72 44.71 1r0c s GLY 45 CO -0.00 0.38 -0.18 1.08 0.00 0.00 0.00 173.10 174.38 1r0c s LEU 46 N 0.89 1.97 -0.58 0.66 1.43 -1.26 0.13 118.68 121.91 1r0c s LEU 46 Ca -0.11 -0.34 -0.03 0.00 -1.03 0.00 0.00 54.13 52.61 1r0c s LEU 46 Cb -0.15 -0.95 0.00 0.00 0.03 0.00 0.00 46.19 45.12 1r0c s LEU 46 CO 0.01 0.18 0.45 0.59 0.23 0.00 0.00 176.35 177.81 1r0c n ASN 47 N 2.92 -3.77 -4.55 2.29 3.02 0.37 -4.99 115.26 110.56 1r0c n ASN 47 Ca -0.17 -0.21 -0.36 0.00 -0.03 0.00 0.00 54.58 53.82 1r0c n ASN 47 Cb 0.53 -2.39 -0.11 0.00 -0.61 0.00 0.00 39.78 37.21 1r0c n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1r0c s LEU 48 N -3.53 3.69 0.60 3.41 1.43 0.11 -4.73 118.68 119.65 1r0c s LEU 48 Ca 0.22 -0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 1r0c s LEU 48 Cb -0.10 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1r0c s LEU 48 CO 0.28 0.05 1.17 -2.84 0.23 0.00 0.00 176.35 175.24 1r0c s PRO 49 N 1.14 3.01 0.00 1.29 0.02 -1.26 -2.60 135.00 136.60 1r0c s PRO 49 Ca 0.05 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.78 1r0c s PRO 49 Cb -0.14 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.43 1r0c s PRO 49 CO 0.04 -1.15 0.00 0.45 -0.33 0.00 0.00 177.00 176.01 1r0c n SER 50 N -1.68 0.00 -0.14 2.53 2.88 -1.26 -4.95 113.62 111.00 1r0c n SER 50 Ca 0.13 -0.90 0.06 0.00 -1.33 0.00 0.00 58.87 56.83 1r0c n SER 50 Cb 0.50 0.00 0.12 0.00 -0.75 0.00 0.00 64.21 64.08 1r0c n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1r0c n GLY 51 N 0.00 -0.57 3.91 0.46 0.00 -1.26 -4.46 105.19 103.27 1r0c n GLY 51 Ca 0.00 0.41 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 1r0c n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r0c s GLU 52 N -5.22 2.50 0.60 1.61 8.01 -1.26 -5.12 118.70 119.82 1r0c s GLU 52 Ca -0.05 -1.59 -0.12 0.00 0.01 0.00 0.00 54.97 53.22 1r0c s GLU 52 Cb 0.12 -2.40 -0.05 0.00 -4.31 0.00 0.00 34.13 27.49 1r0c s GLU 52 CO 0.32 -0.33 1.02 1.41 0.01 0.00 0.00 175.26 177.69 1r0c s MET 53 N -4.23 3.64 0.00 1.61 -2.45 -1.26 -4.85 119.30 111.76 1r0c s MET 53 Ca 0.48 0.81 0.00 0.00 -1.25 0.00 0.00 55.69 55.73 1r0c s MET 53 Cb -0.04 -2.09 0.00 0.00 1.25 0.00 0.00 34.83 33.95 1r0c s MET 53 CO 0.29 -0.53 0.00 0.41 1.05 0.00 0.00 175.02 176.23 1r0c n GLY 54 N -2.46 -0.63 2.06 2.11 0.00 -1.26 -4.99 105.19 100.02 1r0c n GLY 54 Ca 0.06 -0.69 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1r0c n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1r0c n ARG 55 N 0.47 0.00 -3.62 1.61 1.74 -1.26 -4.85 116.66 110.75 1r0c n ARG 55 Ca 0.00 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.91 1r0c n ARG 55 Cb 0.00 -0.61 -0.05 0.00 -1.02 0.00 0.00 32.46 30.78 1r0c n ARG 55 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1r0c n LYS 56 N 0.68 0.76 -4.39 5.56 2.85 -1.07 -3.69 118.16 118.85 1r0c n LYS 56 Ca 0.10 -2.31 -0.22 0.00 -1.05 0.00 0.00 58.31 54.82 1r0c n LYS 56 Cb 0.18 1.18 -0.10 0.00 -0.65 0.00 0.00 35.03 35.64 1r0c n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1r0c s ASP 57 N -2.69 3.03 -0.02 -5.58 1.01 0.11 -0.48 116.67 112.05 1r0c s ASP 57 Ca 0.12 -0.97 0.00 0.00 0.71 0.00 0.00 52.55 52.41 1r0c s ASP 57 Cb 0.01 -0.21 0.02 0.00 1.01 0.00 0.00 42.92 43.75 1r0c s ASP 57 CO 0.09 -0.04 0.01 -0.22 0.21 0.00 0.00 175.17 175.21 1r0c s LEU 58 N -3.18 1.29 -0.05 1.23 2.96 0.35 -2.66 118.68 118.62 1r0c s LEU 58 Ca 0.23 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 1r0c s LEU 58 Cb -0.04 -0.16 0.01 0.00 0.50 0.00 0.00 46.19 46.50 1r0c s LEU 58 CO 0.10 -0.09 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.28 1r0c s ILE 59 N 0.85 1.14 -0.05 6.68 1.01 -0.52 -0.51 121.20 129.80 1r0c s ILE 59 Ca -0.08 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 1r0c s ILE 59 Cb -0.11 -1.02 0.03 0.00 0.01 0.00 0.00 42.46 41.36 1r0c s ILE 59 CO -0.02 0.35 0.02 -0.54 0.00 0.00 0.00 174.94 174.76 1r0c s LYS 60 N 0.43 0.28 -0.33 2.79 1.02 -0.63 0.86 119.74 124.16 1r0c s LYS 60 Ca -0.10 0.21 -0.00 0.00 0.02 0.00 0.00 55.97 56.10 1r0c s LYS 60 Cb -0.13 -0.70 0.08 0.00 -0.52 0.00 0.00 37.83 36.55 1r0c s LYS 60 CO 0.03 -0.28 0.06 0.42 -0.92 0.00 0.00 175.35 174.65 1r0c s ILE 61 N 1.88 2.83 0.28 2.17 1.09 -0.61 -0.85 121.20 127.99 1r0c s ILE 61 Ca 0.02 -1.80 -0.30 0.00 -1.10 0.00 0.00 60.65 57.47 1r0c s ILE 61 Cb -0.12 -2.81 -0.11 0.00 -1.06 0.00 0.00 42.46 38.36 1r0c s ILE 61 CO -0.04 -0.37 1.50 -1.61 -0.10 0.00 0.00 174.94 174.33 1r0c s GLU 62 N 1.13 4.20 -1.00 2.79 2.02 -0.38 -1.96 118.70 125.50 1r0c s GLU 62 Ca 0.01 2.44 -0.11 0.00 0.02 0.00 0.00 54.97 57.34 1r0c s GLU 62 Cb -0.20 -3.06 -0.02 0.00 0.10 0.00 0.00 34.13 30.94 1r0c s GLU 62 CO -0.04 -0.51 0.79 -1.71 0.02 0.00 0.00 175.26 173.81 1r0c n ASN 63 N 2.04 -6.15 -3.55 -0.19 2.85 -0.39 -4.21 115.26 105.66 1r0c n ASN 63 Ca 0.07 -0.73 0.01 0.00 -0.11 0.00 0.00 54.58 53.81 1r0c n ASN 63 Cb 0.39 -4.07 -0.06 0.00 1.24 0.00 0.00 39.78 37.29 1r0c n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1r0c s THR 64 N -3.29 -0.09 0.08 -0.44 2.01 -1.25 -4.97 115.64 107.69 1r0c s THR 64 Ca 0.32 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.41 1r0c s THR 64 Cb -0.09 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 1r0c s THR 64 CO 0.81 0.00 -0.21 -0.36 -0.69 0.00 0.00 174.62 174.17 1r0c s PHE 65 N 1.51 2.47 -0.14 4.92 2.99 -1.26 -2.81 117.98 125.65 1r0c s PHE 65 Ca -0.06 -0.31 -0.07 0.00 0.00 0.00 0.00 56.93 56.49 1r0c s PHE 65 Cb -0.03 -1.39 -0.04 0.00 0.00 0.00 0.00 43.02 41.56 1r0c s PHE 65 CO -0.14 0.28 0.10 -0.51 -0.00 0.00 0.00 175.22 174.95 1r0c s LEU 66 N -1.69 4.10 0.00 -0.37 1.43 -1.26 -5.09 118.68 115.80 1r0c s LEU 66 Ca 0.15 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.55 1r0c s LEU 66 Cb -0.10 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.11 1r0c s LEU 66 CO 0.06 0.33 0.00 -1.54 0.23 0.00 0.00 176.35 175.43 1r0c n SER 67 N 2.53 -1.02 0.11 2.29 3.41 -1.26 -4.82 113.62 114.87 1r0c n SER 67 Ca -0.18 -0.33 -0.23 0.00 -0.26 0.00 0.00 58.87 57.86 1r0c n SER 67 Cb 0.54 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.33 1r0c n SER 67 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1r0c h GLU 68 N 0.00 0.46 -0.55 4.33 4.81 -2.00 -3.11 114.58 118.51 1r0c h GLU 68 Ca 0.00 -0.78 -0.05 0.00 -0.13 0.00 0.00 59.36 58.40 1r0c h GLU 68 Cb 0.00 0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1r0c h GLU 68 CO 0.00 1.37 0.13 -0.44 -0.73 0.00 0.00 179.01 179.35 1r0c h ASP 69 N -0.00 0.84 -0.15 1.04 3.32 -2.00 -2.57 116.42 116.90 1r0c h ASP 69 Ca -0.24 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1r0c h ASP 69 Cb 2.02 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 41.34 1r0c h ASP 69 CO 0.23 0.85 0.09 1.56 -1.72 0.00 0.00 179.24 180.25 1r0c h GLN 70 N 0.78 0.20 -0.30 3.56 4.20 -1.93 -1.58 115.11 120.04 1r0c h GLN 70 Ca 0.17 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.92 1r0c h GLN 70 Cb 0.34 -0.04 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 1r0c h GLN 70 CO 0.00 0.15 -0.00 0.28 -0.67 0.00 0.00 178.83 178.59 1r0c h VAL 71 N 0.19 0.78 -0.77 -0.54 2.07 -1.46 -0.73 116.25 115.79 1r0c h VAL 71 Ca 0.05 -0.03 0.13 0.00 0.82 0.00 0.00 66.70 67.68 1r0c h VAL 71 Cb -0.00 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1r0c h VAL 71 CO -0.01 0.02 0.51 0.44 0.02 0.00 0.00 177.57 178.54 1r0c h ASP 72 N 0.09 0.48 0.00 0.57 3.32 -1.09 -0.67 116.42 119.12 1r0c h ASP 72 Ca 0.14 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1r0c h ASP 72 Cb 0.19 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1r0c h ASP 72 CO -0.24 0.26 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 1r0c n GLN 73 N -4.50 0.22 0.00 3.56 1.13 -0.28 -0.73 117.38 116.79 1r0c n GLN 73 Ca 0.14 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.20 1r0c n GLN 73 Cb 0.47 -1.09 0.00 0.00 0.11 0.00 0.00 30.24 29.73 1r0c n GLN 73 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1r0c n LEU 74 N 0.22 0.00 -0.32 1.08 4.77 -0.26 -4.74 117.00 117.76 1r0c n LEU 74 Ca 0.00 -0.35 0.07 0.00 -0.03 0.00 0.00 56.01 55.70 1r0c n LEU 74 Cb 0.05 0.00 0.27 0.00 -2.33 0.00 0.00 43.42 41.41 1r0c n LEU 74 CO 0.00 0.00 1.24 0.00 -1.33 0.00 0.00 177.39 177.30 1r0c h ALA 75 N 0.00 1.60 0.00 -1.18 0.00 -1.08 0.85 119.26 119.45 1r0c h ALA 75 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1r0c h ALA 75 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1r0c h ALA 75 CO 0.00 0.19 -0.13 1.25 0.00 0.00 0.00 179.25 180.57 1r0c h LEU 76 N 0.93 0.00 0.00 0.00 5.85 -1.85 -3.11 115.31 117.13 1r0c h LEU 76 Ca 0.45 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.93 1r0c h LEU 76 Cb 0.45 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 1r0c h LEU 76 CO -0.21 0.13 -1.84 -1.22 -0.34 0.00 0.00 178.44 174.96 1r0c n TYR 77 N -3.33 0.00 -3.83 1.25 4.01 -0.55 -4.84 117.16 109.87 1r0c n TYR 77 Ca -0.00 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.46 1r0c n TYR 77 Cb 0.34 -0.55 -0.12 0.00 -0.31 0.00 0.00 39.34 38.70 1r0c n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r0c s ALA 78 N -2.28 3.35 0.31 -0.72 0.00 0.29 -4.80 121.76 117.90 1r0c s ALA 78 Ca -0.20 -3.53 0.08 0.00 0.00 0.00 0.00 51.96 48.31 1r0c s ALA 78 Cb 0.06 -2.07 0.51 0.00 0.00 0.00 0.00 23.12 21.62 1r0c s ALA 78 CO 0.31 -2.07 1.72 -1.00 0.00 0.00 0.00 175.76 174.72 1r0c h PRO 79 N 5.60 0.16 -0.65 0.00 0.13 -1.68 -3.12 132.00 132.44 1r0c h PRO 79 Ca 0.13 -0.08 -0.33 0.00 -0.87 0.00 0.00 66.00 64.86 1r0c h PRO 79 Cb 0.80 -0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.73 1r0c h PRO 79 CO 0.66 0.56 0.26 1.04 -0.23 0.00 0.00 178.00 180.28 1r0c n GLN 80 N -4.03 2.14 -2.86 0.86 1.13 -1.26 -4.69 117.38 108.67 1r0c n GLN 80 Ca -0.02 -3.10 -0.32 0.00 -1.94 0.00 0.00 57.00 51.62 1r0c n GLN 80 Cb 0.47 -2.00 -0.05 0.00 0.11 0.00 0.00 30.24 28.77 1r0c n GLN 80 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1r0c s ALA 81 N -3.25 3.19 -0.13 -1.58 0.00 -1.18 -4.84 121.76 113.97 1r0c s ALA 81 Ca 0.51 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.62 1r0c s ALA 81 Cb 0.44 -2.94 -0.00 0.00 0.00 0.00 0.00 23.12 20.61 1r0c s ALA 81 CO 0.06 0.11 -0.18 0.99 0.00 0.00 0.00 175.76 176.74 1r0c s THR 82 N -2.23 2.53 -0.57 0.00 2.01 0.55 -4.20 115.64 113.73 1r0c s THR 82 Ca 0.57 -0.83 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1r0c s THR 82 Cb -0.10 -2.04 0.14 0.00 0.01 0.00 0.00 72.50 70.52 1r0c s THR 82 CO 0.21 0.53 0.34 -0.69 -0.69 0.00 0.00 174.62 174.32 1r0c s VAL 83 N 0.61 3.03 -0.03 3.82 1.01 -0.78 0.45 120.40 128.51 1r0c s VAL 83 Ca -0.10 -3.24 -0.24 0.00 0.00 0.00 0.00 61.98 58.40 1r0c s VAL 83 Cb -0.16 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1r0c s VAL 83 CO 0.03 -0.84 0.74 0.20 0.00 0.00 0.00 175.10 175.23 1r0c s ASN 84 N 0.01 7.08 0.42 3.32 0.01 -0.58 -2.51 114.94 122.71 1r0c s ASN 84 Ca 0.17 1.30 -0.06 0.00 -0.71 0.00 0.00 52.86 53.57 1r0c s ASN 84 Cb -0.23 -2.44 -0.05 0.00 0.41 0.00 0.00 41.25 38.94 1r0c s ASN 84 CO -0.02 -0.08 0.73 -0.60 -1.51 0.00 0.00 177.10 175.62 1r0c s ARG 85 N 0.54 3.61 -0.08 -0.60 3.52 -0.69 -0.86 118.95 124.39 1r0c s ARG 85 Ca 0.39 0.19 -0.04 0.00 -0.13 0.00 0.00 55.73 56.14 1r0c s ARG 85 Cb -0.19 -2.44 0.04 0.00 -1.56 0.00 0.00 34.95 30.80 1r0c s ARG 85 CO 0.20 -0.07 0.19 0.42 -0.81 0.00 0.00 175.30 175.23 1r0c s ILE 86 N -2.52 -0.05 0.31 4.11 1.01 -0.53 -2.82 121.20 120.71 1r0c s ILE 86 Ca 0.47 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 61.11 1r0c s ILE 86 Cb -0.10 -0.30 0.03 0.00 0.01 0.00 0.00 42.46 42.09 1r0c s ILE 86 CO 0.39 0.07 0.71 -0.62 0.00 0.00 0.00 174.94 175.49 1r0c s ASP 87 N 1.23 -0.15 -0.34 3.58 -1.08 0.39 -0.91 116.67 119.38 1r0c s ASP 87 Ca -0.09 -0.80 0.00 0.00 -0.52 0.00 0.00 52.55 51.14 1r0c s ASP 87 Cb -0.11 0.75 0.00 0.00 -1.46 0.00 0.00 42.92 42.10 1r0c s ASP 87 CO -0.07 -1.43 0.00 0.59 0.52 0.00 0.00 175.17 174.78 1r0c n ASN 88 N -0.73 -5.78 -1.31 -0.34 3.02 -1.26 0.11 115.26 108.97 1r0c n ASN 88 Ca -0.05 0.08 -0.12 0.00 -0.03 0.00 0.00 54.58 54.46 1r0c n ASN 88 Cb 0.60 -3.64 -0.02 0.00 -0.61 0.00 0.00 39.78 36.11 1r0c n ASN 88 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1r0c n TYR 89 N -2.01 -0.46 -3.94 3.10 -0.00 -1.26 -4.97 117.16 107.61 1r0c n TYR 89 Ca -0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.76 1r0c n TYR 89 Cb 0.52 -2.66 -0.02 0.00 -0.00 0.00 0.00 39.34 37.18 1r0c n TYR 89 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.86 175.65 1r0c s GLU 90 N -4.26 1.93 -0.29 2.98 2.02 0.31 -4.95 118.70 116.44 1r0c s GLU 90 Ca 0.00 -1.43 -0.29 0.00 0.02 0.00 0.00 54.97 53.27 1r0c s GLU 90 Cb 0.00 0.54 -0.01 0.00 0.10 0.00 0.00 34.13 34.76 1r0c s GLU 90 CO 0.00 -0.85 1.46 0.14 0.02 0.00 0.00 175.26 176.03 1r0c s VAL 91 N -3.12 3.90 -0.19 2.63 -7.23 -1.26 -0.46 120.40 114.67 1r0c s VAL 91 Ca 0.21 1.00 0.15 0.00 -1.81 0.00 0.00 61.98 61.53 1r0c s VAL 91 Cb -0.03 -3.97 0.32 0.00 0.56 0.00 0.00 36.38 33.26 1r0c s VAL 91 CO 0.13 -0.45 1.22 1.33 -0.31 0.00 0.00 175.10 177.02 1r0c n VAL 92 N 6.48 1.82 -3.60 1.32 0.24 -1.13 -4.93 118.33 118.53 1r0c n VAL 92 Ca 0.17 -1.88 0.01 0.00 -2.04 0.00 0.00 64.34 60.60 1r0c n VAL 92 Cb 0.46 -0.08 -0.01 0.00 -1.47 0.00 0.00 33.84 32.74 1r0c n VAL 92 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1r0c s GLY 93 N -2.19 -0.36 -0.24 7.63 0.00 -1.25 -4.94 107.32 105.96 1r0c s GLY 93 Ca 0.30 1.41 -0.27 0.00 0.00 0.00 0.00 44.72 46.16 1r0c s GLY 93 CO 0.05 0.39 1.07 1.25 0.00 0.00 0.00 173.10 175.87 1r0c s LYS 94 N -2.02 0.48 -0.10 2.90 2.20 -1.26 -1.70 119.74 120.24 1r0c s LYS 94 Ca 0.14 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.81 1r0c s LYS 94 Cb 0.04 0.23 0.12 0.00 -1.51 0.00 0.00 37.83 36.70 1r0c s LYS 94 CO -0.05 -0.10 0.95 -1.54 -0.36 0.00 0.00 175.35 174.25 1r0c s SER 95 N -0.31 -0.38 0.29 1.43 1.04 -1.04 -4.99 113.70 109.73 1r0c s SER 95 Ca 0.02 0.28 0.08 0.00 0.48 0.00 0.00 55.95 56.81 1r0c s SER 95 Cb -0.03 0.34 -0.04 0.00 0.10 0.00 0.00 66.02 66.39 1r0c s SER 95 CO -0.04 -0.45 0.17 -0.60 0.98 0.00 0.00 173.24 173.30 1r0c s ARG 96 N -1.81 2.66 0.03 4.02 6.06 -1.26 -1.86 118.95 126.79 1r0c s ARG 96 Ca 0.00 -1.27 -0.27 0.00 -2.50 0.00 0.00 55.73 51.70 1r0c s ARG 96 Cb -0.01 -2.40 -0.05 0.00 0.06 0.00 0.00 34.95 32.56 1r0c s ARG 96 CO -0.01 0.27 0.84 -2.14 -2.50 0.00 0.00 175.30 171.75 1r0c s PRO 97 N -3.85 4.54 -0.11 5.12 0.02 -1.26 -4.84 135.00 134.62 1r0c s PRO 97 Ca 0.35 1.18 0.02 0.00 0.02 0.00 0.00 61.00 62.58 1r0c s PRO 97 Cb -0.06 -3.40 -0.01 0.00 0.02 0.00 0.00 34.50 31.05 1r0c s PRO 97 CO 0.24 0.16 -0.20 -1.54 -0.33 0.00 0.00 177.00 175.33 1r0c s SER 98 N 0.34 3.46 -0.35 2.53 1.04 -1.26 -4.79 113.70 114.66 1r0c s SER 98 Ca 0.43 -0.47 -0.39 0.00 0.48 0.00 0.00 55.95 56.00 1r0c s SER 98 Cb -0.21 -1.48 -0.15 0.00 0.10 0.00 0.00 66.02 64.29 1r0c s SER 98 CO 0.24 0.16 1.97 -0.11 0.98 0.00 0.00 173.24 176.49 1r0c n LEU 99 N 3.51 1.99 -4.57 2.42 7.94 -1.26 -4.59 117.00 122.44 1r0c n LEU 99 Ca -0.19 0.77 -0.30 0.00 -1.11 0.00 0.00 56.01 55.19 1r0c n LEU 99 Cb 0.53 -1.14 0.24 0.00 0.53 0.00 0.00 43.42 43.59 1r0c n LEU 99 CO 0.29 -0.60 0.61 -2.84 -1.11 0.00 0.00 177.39 173.74 1r0c s PRO 100 N 4.91 -1.39 -0.01 1.96 0.02 -1.26 -4.99 135.00 134.24 1r0c s PRO 100 Ca 1.06 -0.07 0.18 0.00 0.02 0.00 0.00 61.00 62.19 1r0c s PRO 100 Cb -1.08 -1.58 -0.22 0.00 0.02 0.00 0.00 34.50 31.65 1r0c s PRO 100 CO 0.60 -3.82 0.66 -0.85 -0.33 0.00 0.00 177.00 173.26 1r0c n GLU 101 N -4.84 0.96 -3.93 5.54 0.28 -1.26 -4.64 120.64 112.76 1r0c n GLU 101 Ca 0.13 -0.05 -0.11 0.00 -0.16 0.00 0.00 57.16 56.98 1r0c n GLU 101 Cb 0.60 -1.37 -0.13 0.00 1.43 0.00 0.00 31.44 31.97 1r0c n GLU 101 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1r0c s ARG 102 N -2.85 0.15 -0.19 3.44 1.81 -1.26 -2.07 118.95 117.98 1r0c s ARG 102 Ca 0.03 -0.28 -0.05 0.00 -1.72 0.00 0.00 55.73 53.72 1r0c s ARG 102 Cb 0.13 0.04 0.07 0.00 -0.45 0.00 0.00 34.95 34.74 1r0c s ARG 102 CO 0.74 -0.02 0.12 0.42 -0.68 0.00 0.00 175.30 175.89 1r0c s ILE 103 N -0.65 -0.14 0.47 1.52 1.01 -1.04 -4.96 121.20 117.42 1r0c s ILE 103 Ca -0.07 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.43 1r0c s ILE 103 Cb -0.04 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.78 1r0c s ILE 103 CO -0.00 -0.32 0.37 -1.81 0.00 0.00 0.00 174.94 173.17 1r0c s ASP 104 N 2.18 4.76 -0.09 3.58 1.01 -1.26 -2.23 116.67 124.61 1r0c s ASP 104 Ca 0.04 -1.02 -0.01 0.00 0.71 0.00 0.00 52.55 52.26 1r0c s ASP 104 Cb -0.16 -0.11 0.01 0.00 1.01 0.00 0.00 42.92 43.67 1r0c s ASP 104 CO -0.13 -0.85 0.03 0.59 0.21 0.00 0.00 175.17 175.02 1r0c n ASN 105 N -1.60 -1.03 0.00 0.27 3.02 -0.82 -4.54 115.26 110.55 1r0c n ASN 105 Ca 0.01 0.41 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1r0c n ASN 105 Cb 0.63 -1.02 0.00 0.00 -0.61 0.00 0.00 39.78 38.78 1r0c n ASN 105 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1r0c n VAL 106 N -2.56 0.00 -2.00 2.41 0.31 -1.26 -4.94 118.33 110.29 1r0c n VAL 106 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 1r0c n VAL 106 Cb 0.49 -0.12 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 1r0c n VAL 106 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1r0c s LEU 107 N -3.65 3.33 -0.04 7.52 1.43 -1.26 -5.07 118.68 120.94 1r0c s LEU 107 Ca 0.00 1.48 0.06 0.00 -1.03 0.00 0.00 54.13 54.64 1r0c s LEU 107 Cb 0.00 -4.48 -0.02 0.00 0.03 0.00 0.00 46.19 41.72 1r0c s LEU 107 CO 0.00 -0.83 -0.23 -0.69 0.23 0.00 0.00 176.35 174.83 1r0c s VAL 108 N -3.01 2.24 0.02 -1.59 1.01 -1.26 -4.75 120.40 113.06 1r0c s VAL 108 Ca 0.56 -1.02 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1r0c s VAL 108 Cb -0.11 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 1r0c s VAL 108 CO 0.48 0.58 1.31 0.00 0.00 0.00 0.00 175.10 177.46 1r0c h PRO 110 N 7.33 0.00 -6.52 0.00 0.11 -1.91 -3.41 132.00 127.59 1r0c h PRO 110 Ca -0.39 0.00 -0.55 0.00 0.11 0.00 0.00 66.00 65.17 1r0c h PRO 110 Cb 1.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1r0c h PRO 110 CO 0.87 0.00 1.04 1.21 -0.21 0.00 0.00 178.00 180.91 1r0c s ASN 111 N -5.36 6.32 0.35 -2.05 2.47 -1.26 -4.89 114.94 110.53 1r0c s ASN 111 Ca -0.00 0.38 0.26 0.00 0.42 0.00 0.00 52.86 53.91 1r0c s ASN 111 Cb 0.10 -2.55 1.24 0.00 -1.45 0.00 0.00 41.25 38.60 1r0c s ASN 111 CO 0.48 -1.53 1.78 0.77 -3.72 0.00 0.00 177.10 174.88 1r0c h SER 112 N 10.34 0.00 -0.29 -4.21 4.64 -2.03 -1.71 113.55 120.29 1r0c h SER 112 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1r0c h SER 112 Cb 1.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.17 1r0c h SER 112 CO 1.15 0.00 0.00 -3.20 -0.87 0.00 0.00 176.83 173.91 1r0c n ASN 113 N -2.41 2.72 -4.74 4.97 5.15 -1.26 -4.93 115.26 114.77 1r0c n ASN 113 Ca -0.00 -1.89 -0.41 0.00 -0.60 0.00 0.00 54.58 51.68 1r0c n ASN 113 Cb 0.14 -0.19 -0.03 0.00 -0.53 0.00 0.00 39.78 39.17 1r0c n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1r0c h ILE 115 N 3.56 0.05 0.00 0.00 6.09 -1.91 -3.12 117.51 122.19 1r0c h ILE 115 Ca -0.45 -0.23 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 1r0c h ILE 115 Cb 1.22 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.72 1r0c h ILE 115 CO 0.73 0.01 0.00 0.77 -3.07 0.00 0.00 178.15 176.59 1r0c h SER 116 N 0.00 0.00 0.00 2.19 4.64 -1.93 -3.29 113.55 115.17 1r0c h SER 116 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r0c h SER 116 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1r0c h SER 116 CO 0.00 0.00 -0.00 0.45 -0.87 0.00 0.00 176.83 176.41 1r0c h HIS 117 N 0.00 -0.00 -0.00 4.77 3.86 -1.93 -3.32 115.15 118.53 1r0c h HIS 117 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1r0c h HIS 117 Cb 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1r0c h HIS 117 CO 0.00 0.53 -0.47 0.00 0.86 0.00 0.00 177.93 178.85 1r0c n ALA 118 N -2.37 3.49 -2.45 2.45 0.00 -1.25 -4.95 120.51 115.43 1r0c n ALA 118 Ca -0.09 -0.35 -0.25 0.00 0.00 0.00 0.00 53.44 52.75 1r0c n ALA 118 Cb 0.27 -1.13 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 1r0c n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1r0c s GLU 119 N -2.95 3.38 -1.31 0.00 0.41 -1.24 -5.02 118.70 111.97 1r0c s GLU 119 Ca 0.12 -0.21 -0.10 0.00 -0.41 0.00 0.00 54.97 54.37 1r0c s GLU 119 Cb 0.18 -2.54 0.15 0.00 -1.78 0.00 0.00 34.13 30.13 1r0c s GLU 119 CO 0.68 -0.08 1.94 -0.35 -0.49 0.00 0.00 175.26 176.96 1r0c n PRO 120 N -2.02 3.52 -4.09 0.39 -0.04 -1.26 -4.92 135.00 126.58 1r0c n PRO 120 Ca -0.02 -3.39 -0.08 0.00 -0.04 0.00 0.00 63.50 59.98 1r0c n PRO 120 Cb 0.56 -2.97 -0.10 0.00 -0.04 0.00 0.00 33.50 30.95 1r0c n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1r0c s VAL 121 N 0.77 0.30 0.03 0.52 -7.23 -1.26 -5.14 120.40 108.39 1r0c s VAL 121 Ca 0.41 -1.75 -0.19 0.00 -1.81 0.00 0.00 61.98 58.64 1r0c s VAL 121 Cb 0.10 -1.43 -0.06 0.00 0.56 0.00 0.00 36.38 35.55 1r0c s VAL 121 CO -0.01 -0.93 0.56 -0.44 -0.31 0.00 0.00 175.10 173.97 1r0c s SER 122 N -2.80 6.99 0.87 4.85 0.01 -1.26 -5.03 113.70 117.32 1r0c s SER 122 Ca 0.06 1.18 -0.10 0.00 1.31 0.00 0.00 55.95 58.40 1r0c s SER 122 Cb 0.06 -2.35 0.12 0.00 0.21 0.00 0.00 66.02 64.05 1r0c s SER 122 CO -0.08 0.20 1.13 -0.94 0.41 0.00 0.00 173.24 173.96 1r0c s SER 123 N -0.68 3.44 -0.29 2.44 1.04 -1.26 -4.78 113.70 113.61 1r0c s SER 123 Ca 0.29 2.06 -0.16 0.00 0.48 0.00 0.00 55.95 58.63 1r0c s SER 123 Cb -0.19 -2.55 0.11 0.00 0.10 0.00 0.00 66.02 63.50 1r0c s SER 123 CO 0.17 -2.75 0.80 -0.55 0.98 0.00 0.00 173.24 171.90 1r0c s SER 124 N -2.92 -0.79 0.08 7.02 0.15 -1.26 -1.95 113.70 114.03 1r0c s SER 124 Ca 0.65 1.23 0.04 0.00 0.70 0.00 0.00 55.95 58.57 1r0c s SER 124 Cb -0.21 1.40 -0.03 0.00 -1.71 0.00 0.00 66.02 65.47 1r0c s SER 124 CO 0.57 -0.19 -0.11 -0.36 1.20 0.00 0.00 173.24 174.35 1r0c s PHE 125 N 1.65 1.02 0.13 3.44 0.40 -0.94 -0.68 117.98 123.00 1r0c s PHE 125 Ca -0.09 -0.56 -0.09 0.00 -0.60 0.00 0.00 56.93 55.59 1r0c s PHE 125 Cb -0.05 -0.57 -0.06 0.00 0.51 0.00 0.00 43.02 42.85 1r0c s PHE 125 CO -0.18 -0.00 0.44 0.00 0.70 0.00 0.00 175.22 176.17 1r0c s ALA 126 N -1.85 3.70 -0.06 5.36 0.00 0.28 -2.49 121.76 126.69 1r0c s ALA 126 Ca -0.00 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.61 1r0c s ALA 126 Cb -0.07 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 1r0c s ALA 126 CO 0.01 0.57 -0.18 0.08 0.00 0.00 0.00 175.76 176.24 1r0c s VAL 127 N -1.55 2.70 -0.07 0.00 1.01 -0.88 -1.68 120.40 119.92 1r0c s VAL 127 Ca 0.38 -0.84 -0.03 0.00 0.00 0.00 0.00 61.98 61.50 1r0c s VAL 127 Cb -0.13 -2.04 0.04 0.00 0.00 0.00 0.00 36.38 34.25 1r0c s VAL 127 CO 0.20 0.57 0.14 -0.13 0.00 0.00 0.00 175.10 175.88 1r0c s ARG 128 N -0.36 0.05 0.30 2.72 0.52 -0.80 -4.82 118.95 116.56 1r0c s ARG 128 Ca 0.03 0.43 -0.12 0.00 -0.52 0.00 0.00 55.73 55.55 1r0c s ARG 128 Cb -0.12 -0.23 -0.08 0.00 0.52 0.00 0.00 34.95 35.03 1r0c s ARG 128 CO 0.02 -0.23 0.66 0.21 0.02 0.00 0.00 175.30 175.99 1r0c s LYS 129 N 1.62 3.88 0.21 3.54 2.47 -1.26 -0.72 119.74 129.48 1r0c s LYS 129 Ca -0.04 0.46 -0.22 0.00 -1.56 0.00 0.00 55.97 54.62 1r0c s LYS 129 Cb -0.12 -2.51 0.07 0.00 -1.46 0.00 0.00 37.83 33.80 1r0c s LYS 129 CO -0.06 0.19 0.97 0.50 0.16 0.00 0.00 175.35 177.12 1r0c s ARG 130 N -3.06 1.44 -0.30 4.03 6.06 -0.55 -4.93 118.95 121.64 1r0c s ARG 130 Ca 0.51 -0.89 -0.39 0.00 -2.50 0.00 0.00 55.73 52.46 1r0c s ARG 130 Cb -0.11 0.43 -0.15 0.00 0.06 0.00 0.00 34.95 35.19 1r0c s ARG 130 CO 0.21 -0.67 1.89 0.00 -2.50 0.00 0.00 175.30 174.23 1r0c n ALA 131 N -0.60 0.22 -1.50 6.12 0.00 -1.26 -1.75 120.51 121.74 1r0c n ALA 131 Ca -0.05 0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.54 1r0c n ALA 131 Cb 0.60 -2.31 -0.04 0.00 0.00 0.00 0.00 19.45 17.69 1r0c n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1r0c n ASN 132 N 6.69 -3.08 -3.60 0.00 3.02 -1.26 -4.88 115.26 112.15 1r0c n ASN 132 Ca 0.31 0.27 -0.09 0.00 -0.03 0.00 0.00 54.58 55.04 1r0c n ASN 132 Cb 0.15 -2.90 -0.06 0.00 -0.61 0.00 0.00 39.78 36.37 1r0c n ASN 132 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1r0c s ASP 133 N -1.97 -0.36 -0.14 6.41 2.15 -0.71 -5.09 116.67 116.96 1r0c s ASP 133 Ca 0.00 0.51 -0.04 0.00 0.43 0.00 0.00 52.55 53.45 1r0c s ASP 133 Cb 0.00 0.45 -0.03 0.00 -0.30 0.00 0.00 42.92 43.04 1r0c s ASP 133 CO 0.00 -0.25 0.01 -0.63 -0.17 0.00 0.00 175.17 174.13 1r0c s ILE 134 N -0.64 4.37 -0.22 4.11 -1.09 -1.26 -1.48 121.20 124.99 1r0c s ILE 134 Ca 0.01 -0.20 -0.07 0.00 -2.23 0.00 0.00 60.65 58.15 1r0c s ILE 134 Cb -0.02 -2.91 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 1r0c s ILE 134 CO -0.02 0.53 0.07 0.00 -1.23 0.00 0.00 174.94 174.29 1r0c s ALA 135 N -0.12 3.30 -0.19 9.38 0.00 0.11 -0.52 121.76 133.71 1r0c s ALA 135 Ca 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 51.05 1r0c s ALA 135 Cb -0.13 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.98 1r0c s ALA 135 CO 0.02 -0.14 -0.08 -0.51 0.00 0.00 0.00 175.76 175.05 1r0c s LEU 136 N 0.97 2.79 -0.17 0.00 1.43 0.17 -1.90 118.68 121.97 1r0c s LEU 136 Ca 0.04 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 1r0c s LEU 136 Cb -0.14 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.36 1r0c s LEU 136 CO 0.03 0.03 0.01 -0.75 0.23 0.00 0.00 176.35 175.90 1r0c s LYS 137 N 1.15 3.76 0.18 1.70 2.20 -0.68 -1.08 119.74 126.98 1r0c s LYS 137 Ca 0.02 -0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 54.86 1r0c s LYS 137 Cb -0.14 -3.06 -0.08 0.00 -1.51 0.00 0.00 37.83 33.03 1r0c s LYS 137 CO -0.02 0.20 1.33 0.00 -0.36 0.00 0.00 175.35 176.50 1r0c h LYS 139 N 5.74 0.33 0.00 0.00 3.64 -1.26 -2.16 116.57 122.86 1r0c h LYS 139 Ca -0.44 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1r0c h LYS 139 Cb 1.21 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1r0c h LYS 139 CO 0.80 0.36 -0.03 1.88 -2.27 0.00 0.00 179.45 180.19 1r0c h TYR 140 N 0.32 0.00 0.00 1.91 0.05 -1.91 -3.41 116.97 113.94 1r0c h TYR 140 Ca 0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1r0c h TYR 140 Cb 0.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1r0c h TYR 140 CO 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 178.16 177.12 1r0c n GLU 142 N -2.87 -0.94 -3.33 0.00 1.02 -0.81 -5.00 120.64 108.71 1r0c n GLU 142 Ca 0.03 0.97 -0.33 0.00 -0.02 0.00 0.00 57.16 57.80 1r0c n GLU 142 Cb 0.38 -5.04 -0.06 0.00 -0.02 0.00 0.00 31.44 26.71 1r0c n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1r0c s LYS 143 N -3.19 3.90 -0.02 3.49 3.01 -1.26 -4.75 119.74 120.92 1r0c s LYS 143 Ca 0.00 0.43 0.05 0.00 -1.01 0.00 0.00 55.97 55.44 1r0c s LYS 143 Cb 0.00 -2.68 -0.03 0.00 -1.01 0.00 0.00 37.83 34.11 1r0c s LYS 143 CO 0.00 0.33 -0.16 -2.00 0.51 0.00 0.00 175.35 174.03 1r0c s GLU 144 N -2.61 2.37 0.18 1.68 2.12 -1.26 -1.39 118.70 119.79 1r0c s GLU 144 Ca 0.46 -0.79 -0.02 0.00 0.36 0.00 0.00 54.97 54.98 1r0c s GLU 144 Cb -0.12 -2.31 -0.04 0.00 0.26 0.00 0.00 34.13 31.92 1r0c s GLU 144 CO 0.20 0.60 0.14 -0.06 -0.54 0.00 0.00 175.26 175.60 1r0c s PHE 145 N -0.78 0.97 0.26 5.30 0.08 -0.24 -4.96 117.98 118.61 1r0c s PHE 145 Ca 0.12 -1.26 -0.18 0.00 0.12 0.00 0.00 56.93 55.73 1r0c s PHE 145 Cb -0.11 -0.46 -0.09 0.00 -0.57 0.00 0.00 43.02 41.80 1r0c s PHE 145 CO 0.02 -0.63 0.74 0.45 -0.10 0.00 0.00 175.22 175.69 1r0c s SER 146 N -3.11 6.98 0.59 1.36 0.15 -1.26 0.45 113.70 118.87 1r0c s SER 146 Ca 0.32 1.39 0.34 0.00 0.70 0.00 0.00 55.95 58.70 1r0c s SER 146 Cb 0.06 -2.41 1.87 0.00 -1.71 0.00 0.00 66.02 63.83 1r0c s SER 146 CO 0.08 -0.04 2.22 1.12 1.20 0.00 0.00 173.24 177.82 1r0c h HIS 147 N 3.06 0.00 0.00 3.44 2.07 -1.18 0.15 115.15 122.70 1r0c h HIS 147 Ca -0.48 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.04 1r0c h HIS 147 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 1r0c h HIS 147 CO 0.63 0.03 0.00 -0.91 -3.07 0.00 0.00 177.93 174.62 1r0c h ASN 148 N 0.00 0.00 0.07 3.10 2.35 -1.93 -0.50 115.58 118.67 1r0c h ASN 148 Ca -0.00 0.00 -0.34 0.00 -0.55 0.00 0.00 56.30 55.41 1r0c h ASN 148 Cb 0.14 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.48 1r0c h ASN 148 CO 0.00 0.00 -1.93 0.52 -1.65 0.00 0.00 177.43 174.38 1r0c n VAL 149 N -2.95 1.67 -0.10 2.81 0.31 -0.02 -3.97 118.33 116.08 1r0c n VAL 149 Ca 0.01 -0.47 -0.03 0.00 -0.01 0.00 0.00 64.34 63.84 1r0c n VAL 149 Cb 0.33 -1.78 0.20 0.00 -0.91 0.00 0.00 33.84 31.68 1r0c n VAL 149 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1r0c h VAL 150 N -0.27 1.23 -0.19 2.52 2.07 -1.29 -2.47 116.25 117.84 1r0c h VAL 150 Ca -0.45 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.18 1r0c h VAL 150 Cb 1.81 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1r0c h VAL 150 CO -0.05 0.32 0.00 0.18 0.02 0.00 0.00 177.57 178.04 1r0c n LEU 151 N -4.25 1.13 -3.16 2.57 4.77 -0.21 -4.15 117.00 113.70 1r0c n LEU 151 Ca 0.03 -0.56 -0.30 0.00 -0.03 0.00 0.00 56.01 55.14 1r0c n LEU 151 Cb 0.26 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1r0c n LEU 151 CO 0.40 0.27 0.42 0.00 -1.33 0.00 0.00 177.39 177.15 1r0c n ALA 152 N 0.07 4.91 1.63 -1.18 0.00 -0.93 -5.05 120.51 119.97 1r0c n ALA 152 Ca 0.07 -4.70 0.15 0.00 0.00 0.00 0.00 53.44 48.95 1r0c n ALA 152 Cb 0.19 -1.08 0.64 0.00 0.00 0.00 0.00 19.45 19.20 1r0c n ALA 152 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77