#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0c n THR 2 N 0.00 0.00 -3.75 2.03 -1.04 -1.26 -5.12 114.28 105.14 1r0c n THR 2 Ca 0.00 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.73 1r0c n THR 2 Cb 0.00 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.39 1r0c n THR 2 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1r0c s HIS 3 N -0.69 2.78 -0.26 -1.42 2.46 -1.26 -5.03 115.29 111.87 1r0c s HIS 3 Ca 0.00 -3.00 0.01 0.00 0.47 0.00 0.00 55.06 52.54 1r0c s HIS 3 Cb 0.00 -2.18 0.07 0.00 -0.13 0.00 0.00 32.58 30.35 1r0c s HIS 3 CO 0.00 -0.65 -0.01 -0.51 -2.47 0.00 0.00 174.74 171.10 1r0c s ASP 4 N -0.88 3.93 -0.08 9.88 1.01 -1.26 -5.13 116.67 124.15 1r0c s ASP 4 Ca 0.26 -1.35 -0.06 0.00 0.71 0.00 0.00 52.55 52.12 1r0c s ASP 4 Cb -0.05 -1.15 -0.04 0.00 1.01 0.00 0.00 42.92 42.69 1r0c s ASP 4 CO -0.16 -0.29 0.16 0.20 0.21 0.00 0.00 175.17 175.30 1r0c s ASN 5 N 1.40 6.39 0.00 0.27 0.01 -1.26 -5.11 114.94 116.63 1r0c s ASN 5 Ca -0.01 0.44 0.00 0.00 -0.71 0.00 0.00 52.86 52.57 1r0c s ASN 5 Cb -0.19 -2.05 0.00 0.00 0.41 0.00 0.00 41.25 39.42 1r0c s ASN 5 CO -0.09 0.36 0.00 0.29 -1.51 0.00 0.00 177.10 176.15 1r0c n LYS 6 N 1.64 2.27 0.06 -0.60 5.02 -1.26 -5.13 118.16 120.15 1r0c n LYS 6 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1r0c n LYS 6 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 1r0c n LYS 6 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1r0c n LEU 7 N 0.00 0.39 0.00 -0.35 4.77 -1.26 -4.81 117.00 115.75 1r0c n LEU 7 Ca 0.00 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1r0c n LEU 7 Cb 0.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1r0c n LEU 7 CO 0.00 -0.68 0.10 0.00 -1.33 0.00 0.00 177.39 175.48 1r0c n GLN 8 N -3.16 0.00 -3.67 3.23 6.02 -1.26 -4.02 117.38 114.52 1r0c n GLN 8 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.89 1r0c n GLN 8 Cb 0.00 -1.45 -0.09 0.00 1.02 0.00 0.00 30.24 29.72 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 -1.40 -0.01 -0.35 5.09 1.01 -1.26 -5.10 120.40 118.38 1r0c s VAL 9 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 61.98 61.80 1r0c s VAL 9 Cb 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.58 1r0c s VAL 9 CO 0.00 0.02 0.70 -1.61 0.00 0.00 0.00 175.10 174.20 1r0c s GLU 10 N 1.31 3.76 -0.63 2.72 8.01 -1.26 -4.73 118.70 127.88 1r0c s GLU 10 Ca -0.08 0.22 0.03 0.00 0.01 0.00 0.00 54.97 55.15 1r0c s GLU 10 Cb -0.06 -3.79 0.38 0.00 -4.31 0.00 0.00 34.13 26.35 1r0c s GLU 10 CO -0.13 -0.74 1.40 0.00 0.01 0.00 0.00 175.26 175.80 1r0c n ALA 11 N 6.16 5.50 -0.36 5.21 0.00 -1.26 -5.06 120.51 130.70 1r0c n ALA 11 Ca 0.01 -4.36 -0.28 0.00 0.00 0.00 0.00 53.44 48.81 1r0c n ALA 11 Cb 0.48 -1.12 0.26 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.42 0.00 -4.01 0.00 5.41 -1.26 -5.01 119.36 114.07 1r0c n ILE 12 Ca 0.43 -0.18 -0.22 0.00 1.00 0.00 0.00 62.75 63.78 1r0c n ILE 12 Cb 0.46 -0.91 -0.03 0.00 -0.71 0.00 0.00 39.64 38.46 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 -4.56 3.29 -0.61 0.38 -2.85 -1.26 -4.84 119.74 109.30 1r0c s LYS 13 Ca 0.63 -0.82 -0.09 0.00 -1.00 0.00 0.00 55.97 54.69 1r0c s LYS 13 Cb -0.15 -2.81 0.01 0.00 -2.06 0.00 0.00 37.83 32.82 1r0c s LYS 13 CO 0.57 0.43 0.65 -2.13 0.10 0.00 0.00 175.35 174.98 1r0c n ARG 14 N -1.23 -1.79 -3.55 1.78 0.00 -1.25 -4.68 116.66 105.93 1r0c n ARG 14 Ca -0.08 1.68 -0.07 0.00 -0.00 0.00 0.00 57.85 59.38 1r0c n ARG 14 Cb 0.57 -5.21 -0.02 0.00 0.00 0.00 0.00 32.46 27.80 1r0c n ARG 14 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1r0c s GLY 15 N -2.75 -0.38 0.18 5.14 0.00 -0.43 0.23 107.32 109.31 1r0c s GLY 15 Ca 0.12 1.31 -0.22 0.00 0.00 0.00 0.00 44.72 45.93 1r0c s GLY 15 CO 0.78 0.44 0.73 -1.59 0.00 0.00 0.00 173.10 173.46 1r0c s THR 16 N -2.75 4.50 -0.05 0.90 2.01 -0.77 -1.67 115.64 117.80 1r0c s THR 16 Ca 0.07 1.47 0.05 0.00 0.31 0.00 0.00 61.69 63.59 1r0c s THR 16 Cb -0.01 -3.99 -0.00 0.00 0.01 0.00 0.00 72.50 68.51 1r0c s THR 16 CO -0.07 0.39 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.36 1r0c s VAL 17 N -1.31 1.69 -0.41 3.82 1.01 -0.06 -1.79 120.40 123.36 1r0c s VAL 17 Ca 0.38 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1r0c s VAL 17 Cb -0.20 -1.45 0.11 0.00 0.00 0.00 0.00 36.38 34.84 1r0c s VAL 17 CO 0.23 0.48 0.21 -0.63 0.00 0.00 0.00 175.10 175.39 1r0c s ILE 18 N 0.02 3.25 0.18 2.22 1.01 0.11 -1.78 121.20 126.21 1r0c s ILE 18 Ca -0.06 -2.11 0.04 0.00 0.00 0.00 0.00 60.65 58.53 1r0c s ILE 18 Cb -0.13 -3.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1r0c s ILE 18 CO 0.03 -0.70 0.25 -0.62 0.00 0.00 0.00 174.94 173.90 1r0c s ASP 19 N 1.74 6.01 -0.34 3.58 2.15 0.17 -1.86 116.67 128.13 1r0c s ASP 19 Ca 0.09 0.02 -0.06 0.00 0.43 0.00 0.00 52.55 53.03 1r0c s ASP 19 Cb -0.23 -1.71 0.01 0.00 -0.30 0.00 0.00 42.92 40.69 1r0c s ASP 19 CO -0.04 0.02 0.22 1.41 -0.17 0.00 0.00 175.17 176.62 1r0c n HIS 20 N -0.72 -3.61 -4.03 -5.34 8.25 -1.25 0.11 115.22 108.62 1r0c n HIS 20 Ca -0.08 1.55 -0.27 0.00 -0.26 0.00 0.00 57.72 58.66 1r0c n HIS 20 Cb 0.55 -3.92 -0.17 0.00 1.12 0.00 0.00 29.99 27.57 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 -1.93 1.19 0.58 1.59 1.01 -1.01 -3.62 121.20 119.00 1r0c s ILE 21 Ca 0.09 -0.40 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 1r0c s ILE 21 Cb -0.03 -1.16 -0.10 0.00 0.01 0.00 0.00 42.46 41.18 1r0c s ILE 21 CO 0.74 0.39 0.27 -2.65 0.00 0.00 0.00 174.94 173.69 1r0c n PRO 22 N 4.74 0.30 -1.76 2.79 -0.02 -1.26 0.27 135.00 140.06 1r0c n PRO 22 Ca -0.15 0.12 -0.42 0.00 -2.02 0.00 0.00 63.50 61.03 1r0c n PRO 22 Cb 0.50 -1.46 -0.03 0.00 -0.02 0.00 0.00 33.50 32.49 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 -1.84 3.89 -0.46 3.55 0.00 -1.26 -2.15 121.76 123.48 1r0c s ALA 23 Ca 0.64 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.16 1r0c s ALA 23 Cb -0.44 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.00 1r0c s ALA 23 CO 0.59 -0.92 0.00 1.04 0.00 0.00 0.00 175.76 176.48 1r0c n GLN 24 N 3.67 -0.31 -0.01 0.00 1.13 -1.26 -4.89 117.38 115.72 1r0c n GLN 24 Ca 0.14 0.64 0.04 0.00 -1.94 0.00 0.00 57.00 55.88 1r0c n GLN 24 Cb 0.36 -4.33 -0.07 0.00 0.11 0.00 0.00 30.24 26.31 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 -2.90 0.05 0.23 5.09 2.08 -0.91 -4.52 119.36 118.49 1r0c n ILE 25 Ca -0.04 -0.21 -0.15 0.00 0.56 0.00 0.00 62.75 62.91 1r0c n ILE 25 Cb 0.15 0.20 -0.08 0.00 -0.75 0.00 0.00 39.64 39.16 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 1.57 -0.59 1.72 7.39 0.00 -1.88 -1.60 103.07 109.67 1r0c h GLY 26 Ca -0.02 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 1r0c h GLY 26 CO 0.00 -0.22 0.17 -2.75 0.00 0.00 0.00 176.54 173.75 1r0c h PHE 27 N -0.70 0.36 -0.41 5.60 3.57 -1.95 -1.81 116.94 121.60 1r0c h PHE 27 Ca -0.06 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.30 1r0c h PHE 27 Cb 0.50 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1r0c h PHE 27 CO -0.02 0.24 -0.33 0.87 -2.23 0.00 0.00 178.31 176.85 1r0c h LYS 28 N 0.39 0.94 -0.84 1.11 1.57 -1.76 -1.20 116.57 116.78 1r0c h LYS 28 Ca 0.10 -0.47 -0.02 0.00 -1.87 0.00 0.00 60.65 58.40 1r0c h LYS 28 Cb -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1r0c h LYS 28 CO -0.02 1.13 0.46 -0.07 -0.57 0.00 0.00 179.45 180.37 1r0c h LEU 29 N 0.77 1.06 0.27 2.94 3.38 -0.61 0.49 115.31 123.61 1r0c h LEU 29 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1r0c h LEU 29 Cb 0.92 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1r0c h LEU 29 CO 0.09 0.86 -0.17 -0.07 0.09 0.00 0.00 178.44 179.24 1r0c h LEU 30 N 1.18 -0.42 0.48 1.67 3.38 -1.10 0.05 115.31 120.55 1r0c h LEU 30 Ca 0.30 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1r0c h LEU 30 Cb 0.04 0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1r0c h LEU 30 CO -0.05 -0.27 -0.23 0.28 0.09 0.00 0.00 178.44 178.27 1r0c h SER 31 N -0.42 -0.54 -0.98 -0.43 0.02 -0.83 -2.10 113.55 108.26 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 0.35 0.14 -0.11 0.00 0.14 0.00 0.00 62.40 62.92 1r0c h SER 31 CO 0.03 -0.33 0.57 -0.07 -1.14 0.00 0.00 176.83 175.89 1r0c h LEU 32 N -0.76 0.68 -2.94 5.07 3.38 -0.08 -2.18 115.31 118.47 1r0c h LEU 32 Ca -0.07 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1r0c h LEU 32 Cb 0.49 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1r0c h LEU 32 CO 0.11 0.18 0.00 0.49 0.09 0.00 0.00 178.44 179.31 1r0c n PHE 33 N -4.85 1.12 -4.00 1.13 3.72 0.00 -4.91 117.46 109.67 1r0c n PHE 33 Ca 0.24 -0.56 -0.41 0.00 -0.05 0.00 0.00 57.45 56.67 1r0c n PHE 33 Cb 0.63 -0.11 0.01 0.00 -0.94 0.00 0.00 39.48 39.08 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 1.25 -0.66 0.06 -1.08 5.02 -0.82 -4.86 118.16 117.07 1r0c n LYS 34 Ca 0.24 0.18 0.12 0.00 -2.02 0.00 0.00 58.31 56.82 1r0c n LYS 34 Cb 0.71 -3.07 0.22 0.00 -0.02 0.00 0.00 35.03 32.87 1r0c n LYS 34 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1r0c n LEU 35 N -4.79 0.66 -0.21 -0.35 4.77 -1.03 -3.69 117.00 112.35 1r0c n LEU 35 Ca -0.13 0.24 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 1r0c n LEU 35 Cb 0.59 -0.21 0.20 0.00 -2.33 0.00 0.00 43.42 41.66 1r0c n LEU 35 CO 0.74 -0.04 0.43 0.35 -1.33 0.00 0.00 177.39 177.54 1r0c n THR 36 N -2.03 0.00 -1.92 -5.08 -2.24 -1.26 -4.64 114.28 97.11 1r0c n THR 36 Ca 0.04 -0.11 -0.42 0.00 -2.27 0.00 0.00 64.05 61.29 1r0c n THR 36 Cb 0.42 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.83 2.95 -3.83 -0.78 1.02 -1.24 -4.80 120.64 113.12 1r0c n GLU 37 Ca 0.09 -2.77 -0.04 0.00 -0.02 0.00 0.00 57.16 54.41 1r0c n GLU 37 Cb 0.37 -3.32 0.01 0.00 -0.02 0.00 0.00 31.44 28.48 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 3.28 0.00 -0.67 2.62 -1.32 -1.26 -5.04 115.64 113.24 1r0c s THR 38 Ca 0.48 -0.68 0.16 0.00 -1.21 0.00 0.00 61.69 60.43 1r0c s THR 38 Cb 0.12 -2.61 -0.18 0.00 -1.51 0.00 0.00 72.50 68.32 1r0c s THR 38 CO -0.05 0.00 0.64 0.47 -2.21 0.00 0.00 174.62 173.46 1r0c n ASP 39 N -1.02 0.79 -4.75 8.08 10.43 -1.26 -4.98 116.55 123.84 1r0c n ASP 39 Ca -0.05 -0.79 -0.34 0.00 2.57 0.00 0.00 54.79 56.19 1r0c n ASP 39 Cb 0.60 1.07 0.06 0.00 1.84 0.00 0.00 41.12 44.69 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 -2.54 2.57 0.62 -1.24 -1.52 -1.26 -4.97 119.66 111.32 1r0c s GLN 40 Ca 0.05 1.56 -0.17 0.00 -1.95 0.00 0.00 55.36 54.84 1r0c s GLN 40 Cb 0.12 -1.91 -0.02 0.00 -0.22 0.00 0.00 33.01 30.98 1r0c s GLN 40 CO 0.65 -1.46 1.16 1.03 -0.25 0.00 0.00 175.29 176.42 1r0c s ARG 41 N -3.96 2.87 -0.08 2.91 0.52 -1.26 -4.87 118.95 115.09 1r0c s ARG 41 Ca 0.70 1.65 -0.03 0.00 -0.52 0.00 0.00 55.73 57.53 1r0c s ARG 41 Cb -0.24 -1.94 0.04 0.00 0.52 0.00 0.00 34.95 33.34 1r0c s ARG 41 CO 0.42 -1.24 0.16 0.42 0.02 0.00 0.00 175.30 175.07 1r0c s ILE 42 N -1.90 -0.17 -0.21 1.52 1.01 -1.26 -1.03 121.20 119.16 1r0c s ILE 42 Ca 0.73 0.28 -0.02 0.00 0.00 0.00 0.00 60.65 61.64 1r0c s ILE 42 Cb -0.26 -0.28 0.01 0.00 0.01 0.00 0.00 42.46 41.93 1r0c s ILE 42 CO 0.36 0.12 -0.10 -0.89 0.00 0.00 0.00 174.94 174.43 1r0c s THR 43 N 1.81 2.88 -0.03 2.92 2.01 0.46 -4.99 115.64 120.71 1r0c s THR 43 Ca -0.02 -0.70 0.06 0.00 0.31 0.00 0.00 61.69 61.34 1r0c s THR 43 Cb -0.12 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 1r0c s THR 43 CO -0.06 0.43 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.46 1r0c s ILE 44 N 1.40 2.41 -0.06 1.82 1.01 -1.26 -1.01 121.20 125.51 1r0c s ILE 44 Ca 0.05 -0.98 0.01 0.00 0.00 0.00 0.00 60.65 59.73 1r0c s ILE 44 Cb -0.14 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.47 1r0c s ILE 44 CO -0.07 0.58 -0.06 -0.83 0.00 0.00 0.00 174.94 174.56 1r0c s GLY 45 N -0.66 0.56 -0.04 6.18 0.00 0.12 -5.00 107.32 108.48 1r0c s GLY 45 Ca 0.11 -0.18 0.04 0.00 0.00 0.00 0.00 44.72 44.69 1r0c s GLY 45 CO -0.00 0.44 -0.17 1.08 0.00 0.00 0.00 173.10 174.44 1r0c s LEU 46 N 0.99 1.93 -0.74 0.66 1.43 -1.26 0.15 118.68 121.84 1r0c s LEU 46 Ca -0.10 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 1r0c s LEU 46 Cb -0.14 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.09 1r0c s LEU 46 CO -0.00 0.16 0.17 0.59 0.23 0.00 0.00 176.35 177.50 1r0c n ASN 47 N 3.12 -3.45 -4.66 2.29 3.02 0.62 -5.00 115.26 111.20 1r0c n ASN 47 Ca -0.18 -0.08 -0.38 0.00 -0.03 0.00 0.00 54.58 53.91 1r0c n ASN 47 Cb 0.53 -2.50 -0.08 0.00 -0.61 0.00 0.00 39.78 37.11 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 -3.06 4.13 0.54 3.41 1.43 -0.50 -4.69 118.68 119.95 1r0c s LEU 48 Ca 0.08 0.36 -0.21 0.00 -1.03 0.00 0.00 54.13 53.33 1r0c s LEU 48 Cb -0.04 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1r0c s LEU 48 CO 0.10 -0.04 1.28 -2.84 0.23 0.00 0.00 176.35 175.08 1r0c s PRO 49 N 1.32 3.20 -0.05 1.29 0.02 -1.26 -2.82 135.00 136.70 1r0c s PRO 49 Ca 0.15 2.03 -0.27 0.00 0.02 0.00 0.00 61.00 62.93 1r0c s PRO 49 Cb -0.14 -2.19 0.06 0.00 0.02 0.00 0.00 34.50 32.24 1r0c s PRO 49 CO 0.07 -1.08 0.60 0.45 -0.33 0.00 0.00 177.00 176.72 1r0c s SER 50 N -1.21 -0.57 0.00 2.53 0.15 -1.26 -4.96 113.70 108.38 1r0c s SER 50 Ca 0.72 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.98 1r0c s SER 50 Cb -0.35 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 1r0c s SER 50 CO 0.41 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.90 1r0c n GLY 51 N 1.04 0.00 3.44 9.45 0.00 -1.26 -4.35 105.19 113.51 1r0c n GLY 51 Ca -0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 1r0c n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1r0c n GLU 52 N 0.00 0.48 -0.65 1.61 1.02 -1.26 -4.91 120.64 116.93 1r0c n GLU 52 Ca 0.00 0.18 -0.31 0.00 -0.02 0.00 0.00 57.16 57.01 1r0c n GLU 52 Cb 0.00 -1.56 0.18 0.00 -0.02 0.00 0.00 31.44 30.03 1r0c n GLU 52 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1r0c n MET 53 N 0.34 -1.76 0.00 3.49 0.00 -1.26 -4.81 117.12 113.12 1r0c n MET 53 Ca 0.11 -0.50 0.00 0.00 -0.00 0.00 0.00 57.70 57.31 1r0c n MET 53 Cb 0.45 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 31.99 1r0c n MET 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1r0c n GLY 54 N 2.07 0.46 3.43 -5.12 0.00 -1.26 -4.90 105.19 99.87 1r0c n GLY 54 Ca 0.01 -0.85 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 1r0c n GLY 54 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r0c s ARG 55 N 0.00 1.56 0.14 1.61 0.52 -1.26 -4.56 118.95 116.96 1r0c s ARG 55 Ca 0.00 -1.77 -0.01 0.00 -0.52 0.00 0.00 55.73 53.43 1r0c s ARG 55 Cb 0.00 -1.29 0.01 0.00 0.52 0.00 0.00 34.95 34.19 1r0c s ARG 55 CO 0.00 0.11 0.20 0.36 0.02 0.00 0.00 175.30 175.99 1r0c n LYS 56 N -0.58 0.29 -4.26 3.54 2.85 -1.13 -4.29 118.16 114.59 1r0c n LYS 56 Ca -0.06 -1.06 -0.22 0.00 -1.05 0.00 0.00 58.31 55.91 1r0c n LYS 56 Cb 0.62 1.05 -0.12 0.00 -0.65 0.00 0.00 35.03 35.94 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 -1.84 2.31 -0.04 -5.58 1.01 0.14 -0.27 116.67 112.40 1r0c s ASP 57 Ca 0.11 -0.68 0.02 0.00 0.71 0.00 0.00 52.55 52.71 1r0c s ASP 57 Cb -0.01 -0.11 0.01 0.00 1.01 0.00 0.00 42.92 43.82 1r0c s ASP 57 CO 0.08 0.02 -0.07 -0.22 0.21 0.00 0.00 175.17 175.18 1r0c s LEU 58 N -1.89 1.58 -0.05 1.23 2.96 0.40 -2.40 118.68 120.52 1r0c s LEU 58 Ca 0.04 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.81 1r0c s LEU 58 Cb -0.10 -0.52 0.01 0.00 0.50 0.00 0.00 46.19 46.09 1r0c s LEU 58 CO 0.04 0.01 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.34 1r0c s ILE 59 N 0.54 0.99 -0.06 6.68 1.01 -0.78 0.15 121.20 129.73 1r0c s ILE 59 Ca -0.08 -0.43 -0.01 0.00 0.00 0.00 0.00 60.65 60.14 1r0c s ILE 59 Cb -0.12 -0.90 0.03 0.00 0.01 0.00 0.00 42.46 41.48 1r0c s ILE 59 CO 0.01 0.31 -0.01 -0.54 0.00 0.00 0.00 174.94 174.71 1r0c s LYS 60 N 0.48 0.59 -0.31 2.79 1.02 -0.18 0.08 119.74 124.21 1r0c s LYS 60 Ca -0.10 0.07 -0.01 0.00 0.02 0.00 0.00 55.97 55.95 1r0c s LYS 60 Cb -0.13 -0.86 0.06 0.00 -0.52 0.00 0.00 37.83 36.37 1r0c s LYS 60 CO 0.02 -0.24 0.01 0.42 -0.92 0.00 0.00 175.35 174.65 1r0c s ILE 61 N 1.63 2.90 0.28 2.17 1.09 -0.74 -0.40 121.20 128.14 1r0c s ILE 61 Ca -0.00 -1.52 -0.29 0.00 -1.10 0.00 0.00 60.65 57.73 1r0c s ILE 61 Cb -0.13 -2.73 -0.10 0.00 -1.06 0.00 0.00 42.46 38.45 1r0c s ILE 61 CO -0.04 -0.18 1.37 -1.61 -0.10 0.00 0.00 174.94 174.39 1r0c s GLU 62 N 1.21 4.31 -0.96 2.79 2.02 -0.20 -1.84 118.70 126.03 1r0c s GLU 62 Ca -0.04 2.25 -0.10 0.00 0.02 0.00 0.00 54.97 57.10 1r0c s GLU 62 Cb -0.20 -3.10 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 1r0c s GLU 62 CO -0.02 -0.31 0.74 -1.71 0.02 0.00 0.00 175.26 173.99 1r0c n ASN 63 N 1.65 -6.01 -3.61 -0.19 2.85 0.64 -4.21 115.26 106.38 1r0c n ASN 63 Ca 0.04 -0.73 -0.00 0.00 -0.11 0.00 0.00 54.58 53.77 1r0c n ASN 63 Cb 0.41 -3.70 -0.06 0.00 1.24 0.00 0.00 39.78 37.67 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 -3.24 -0.04 0.04 -0.44 2.01 -1.25 -4.97 115.64 107.74 1r0c s THR 64 Ca 0.26 0.00 0.09 0.00 0.31 0.00 0.00 61.69 62.35 1r0c s THR 64 Cb -0.08 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 1r0c s THR 64 CO 0.83 0.00 -0.26 -0.36 -0.69 0.00 0.00 174.62 174.14 1r0c s PHE 65 N 1.36 2.33 -0.13 4.92 2.99 -1.26 -2.95 117.98 125.23 1r0c s PHE 65 Ca -0.08 -0.41 -0.08 0.00 0.00 0.00 0.00 56.93 56.36 1r0c s PHE 65 Cb -0.03 -1.41 -0.04 0.00 0.00 0.00 0.00 43.02 41.54 1r0c s PHE 65 CO -0.13 0.11 0.15 -0.51 -0.00 0.00 0.00 175.22 174.83 1r0c s LEU 66 N -1.16 4.35 0.00 -0.37 1.43 -1.26 -5.10 118.68 116.57 1r0c s LEU 66 Ca 0.12 0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 53.64 1r0c s LEU 66 Cb -0.10 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 44.04 1r0c s LEU 66 CO 0.02 0.36 0.02 -1.54 0.23 0.00 0.00 176.35 175.44 1r0c n SER 67 N 2.31 -0.98 0.11 2.29 3.41 -1.26 -4.83 113.62 114.67 1r0c n SER 67 Ca -0.19 -0.53 -0.20 0.00 -0.26 0.00 0.00 58.87 57.69 1r0c n SER 67 Cb 0.54 -0.02 -0.13 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.40 4.33 4.81 -2.00 -3.04 114.58 118.74 1r0c h GLU 68 Ca -0.01 -0.70 -0.13 0.00 -0.13 0.00 0.00 59.36 58.39 1r0c h GLU 68 Cb 0.03 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1r0c h GLU 68 CO 0.01 1.32 -0.26 -0.44 -0.73 0.00 0.00 179.01 178.90 1r0c h ASP 69 N 0.17 0.86 -0.29 1.04 3.32 -2.00 -2.74 116.42 116.78 1r0c h ASP 69 Ca -0.18 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 1r0c h ASP 69 Cb 1.98 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 41.28 1r0c h ASP 69 CO 0.23 1.07 0.06 1.56 -1.72 0.00 0.00 179.24 180.44 1r0c h GLN 70 N 0.72 0.47 -0.46 3.56 4.20 -1.93 -2.03 115.11 119.64 1r0c h GLN 70 Ca 0.09 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.73 1r0c h GLN 70 Cb 0.80 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.48 1r0c h GLN 70 CO 0.07 0.56 0.19 0.28 -0.67 0.00 0.00 178.83 179.26 1r0c h VAL 71 N 0.30 0.90 -0.54 -0.54 2.07 -1.48 -1.42 116.25 115.54 1r0c h VAL 71 Ca 0.09 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1r0c h VAL 71 Cb 0.31 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1r0c h VAL 71 CO 0.00 0.07 0.35 0.44 0.02 0.00 0.00 177.57 178.46 1r0c h ASP 72 N 0.39 0.53 0.00 0.57 3.32 -1.29 -1.45 116.42 118.48 1r0c h ASP 72 Ca 0.21 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 1r0c h ASP 72 Cb 0.17 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1r0c h ASP 72 CO -0.19 0.36 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 1r0c n GLN 73 N -4.47 0.19 -0.00 3.56 1.13 -0.53 -0.25 117.38 117.01 1r0c n GLN 73 Ca 0.06 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.14 1r0c n GLN 73 Cb 0.14 -1.02 -0.03 0.00 0.11 0.00 0.00 30.24 29.44 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 -0.33 0.20 -0.30 1.08 4.77 -0.55 -4.68 117.00 117.21 1r0c n LEU 74 Ca 0.00 -0.43 0.04 0.00 -0.03 0.00 0.00 56.01 55.59 1r0c n LEU 74 Cb 0.01 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.29 1r0c n LEU 74 CO 0.00 0.05 1.13 0.00 -1.33 0.00 0.00 177.39 177.24 1r0c h ALA 75 N 0.66 1.22 0.00 -1.18 0.00 -0.76 0.70 119.26 119.90 1r0c h ALA 75 Ca 0.00 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1r0c h ALA 75 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1r0c h ALA 75 CO 0.00 0.04 -0.23 1.25 0.00 0.00 0.00 179.25 180.32 1r0c h LEU 76 N 0.75 0.00 0.00 0.00 5.85 -1.83 -3.11 115.31 116.97 1r0c h LEU 76 Ca 0.42 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.82 1r0c h LEU 76 Cb 0.46 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1r0c h LEU 76 CO -0.28 0.23 -2.20 -1.22 -0.34 0.00 0.00 178.44 174.63 1r0c n TYR 77 N -3.78 0.00 -3.70 1.25 4.01 -0.66 -4.83 117.16 109.46 1r0c n TYR 77 Ca -0.01 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.44 1r0c n TYR 77 Cb 0.33 -0.80 -0.12 0.00 -0.31 0.00 0.00 39.34 38.44 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 -2.41 2.60 0.22 -0.72 0.00 0.24 -4.82 121.76 116.86 1r0c s ALA 78 Ca -0.29 -3.05 0.19 0.00 0.00 0.00 0.00 51.96 48.81 1r0c s ALA 78 Cb 0.08 -1.92 0.75 0.00 0.00 0.00 0.00 23.12 22.04 1r0c s ALA 78 CO 0.46 -2.05 1.77 -1.00 0.00 0.00 0.00 175.76 174.95 1r0c h PRO 79 N 5.90 0.00 -0.47 0.00 0.13 -1.69 -3.12 132.00 132.76 1r0c h PRO 79 Ca 0.13 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 65.02 1r0c h PRO 79 Cb 0.86 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 31.84 1r0c h PRO 79 CO 0.55 0.36 0.05 1.04 -0.23 0.00 0.00 178.00 179.76 1r0c n GLN 80 N -3.61 1.96 -3.14 0.86 1.13 -1.26 -4.78 117.38 108.53 1r0c n GLN 80 Ca -0.01 -3.15 -0.33 0.00 -1.94 0.00 0.00 57.00 51.58 1r0c n GLN 80 Cb 0.47 -1.89 -0.06 0.00 0.11 0.00 0.00 30.24 28.88 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 3.33 -0.10 -1.58 0.00 -1.18 -4.82 121.76 114.16 1r0c s ALA 81 Ca 0.47 0.04 0.01 0.00 0.00 0.00 0.00 51.96 52.48 1r0c s ALA 81 Cb 0.42 -2.77 -0.02 0.00 0.00 0.00 0.00 23.12 20.75 1r0c s ALA 81 CO 0.02 0.33 -0.13 0.99 0.00 0.00 0.00 175.76 176.97 1r0c s THR 82 N -1.97 3.06 -0.52 0.00 2.01 0.12 -4.29 115.64 114.04 1r0c s THR 82 Ca 0.54 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.89 1r0c s THR 82 Cb -0.10 -2.25 0.14 0.00 0.01 0.00 0.00 72.50 70.29 1r0c s THR 82 CO 0.17 0.55 0.29 -0.69 -0.69 0.00 0.00 174.62 174.25 1r0c s VAL 83 N -0.02 2.36 -0.04 3.82 1.01 -0.82 0.46 120.40 127.17 1r0c s VAL 83 Ca -0.03 -3.28 -0.24 0.00 0.00 0.00 0.00 61.98 58.42 1r0c s VAL 83 Cb -0.14 -2.63 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1r0c s VAL 83 CO 0.04 -0.85 0.73 0.20 0.00 0.00 0.00 175.10 175.22 1r0c s ASN 84 N -0.31 7.06 0.44 3.32 0.01 -0.74 -2.50 114.94 122.22 1r0c s ASN 84 Ca 0.18 1.27 -0.07 0.00 -0.71 0.00 0.00 52.86 53.54 1r0c s ASN 84 Cb -0.23 -2.43 -0.05 0.00 0.41 0.00 0.00 41.25 38.95 1r0c s ASN 84 CO -0.02 -0.10 0.76 -0.60 -1.51 0.00 0.00 177.10 175.63 1r0c s ARG 85 N 0.62 3.64 -0.08 -0.60 3.52 0.22 -0.88 118.95 125.39 1r0c s ARG 85 Ca 0.39 0.28 -0.04 0.00 -0.13 0.00 0.00 55.73 56.23 1r0c s ARG 85 Cb -0.18 -2.40 0.04 0.00 -1.56 0.00 0.00 34.95 30.84 1r0c s ARG 85 CO 0.20 -0.11 0.18 0.42 -0.81 0.00 0.00 175.30 175.18 1r0c s ILE 86 N -2.55 -0.06 0.31 4.11 1.01 -0.67 -2.81 121.20 120.54 1r0c s ILE 86 Ca 0.48 0.18 -0.17 0.00 0.00 0.00 0.00 60.65 61.15 1r0c s ILE 86 Cb -0.10 -0.29 0.03 0.00 0.01 0.00 0.00 42.46 42.10 1r0c s ILE 86 CO 0.38 0.07 0.69 -0.62 0.00 0.00 0.00 174.94 175.46 1r0c s ASP 87 N 1.28 -0.05 -0.36 3.58 -1.08 0.50 -1.32 116.67 119.22 1r0c s ASP 87 Ca -0.08 -0.91 0.00 0.00 -0.52 0.00 0.00 52.55 51.04 1r0c s ASP 87 Cb -0.11 0.74 0.00 0.00 -1.46 0.00 0.00 42.92 42.09 1r0c s ASP 87 CO -0.07 -1.43 0.00 0.59 0.52 0.00 0.00 175.17 174.79 1r0c n ASN 88 N -0.83 -5.52 -1.33 -0.34 3.02 -1.26 0.12 115.26 109.13 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 -3.52 -0.02 0.00 -0.61 0.00 0.00 39.78 36.24 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 -1.94 -0.48 -3.95 3.10 -0.00 -1.26 -4.97 117.16 107.66 1r0c n TYR 89 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 57.74 1r0c n TYR 89 Cb 0.50 -2.67 -0.00 0.00 -0.00 0.00 0.00 39.34 37.16 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 -4.32 2.13 -0.36 2.98 2.02 0.33 -4.96 118.70 116.53 1r0c s GLU 90 Ca 0.00 -1.65 -0.29 0.00 0.02 0.00 0.00 54.97 53.05 1r0c s GLU 90 Cb 0.00 0.54 0.01 0.00 0.10 0.00 0.00 34.13 34.78 1r0c s GLU 90 CO 0.00 -0.95 1.29 0.14 0.02 0.00 0.00 175.26 175.76 1r0c s VAL 91 N -2.53 4.11 -0.18 2.63 -7.23 -1.26 -0.37 120.40 115.57 1r0c s VAL 91 Ca 0.23 1.21 0.16 0.00 -1.81 0.00 0.00 61.98 61.77 1r0c s VAL 91 Cb -0.03 -4.25 0.33 0.00 0.56 0.00 0.00 36.38 32.98 1r0c s VAL 91 CO 0.17 -0.63 1.22 1.33 -0.31 0.00 0.00 175.10 176.87 1r0c n VAL 92 N 6.52 1.85 0.00 1.32 0.24 -1.12 -4.93 118.33 122.20 1r0c n VAL 92 Ca 0.15 -1.93 0.00 0.00 -2.04 0.00 0.00 64.34 60.51 1r0c n VAL 92 Cb 0.47 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.73 1r0c n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1r0c n GLY 93 N -0.95 0.84 3.57 7.63 0.00 -1.25 -4.94 105.19 110.09 1r0c n GLY 93 Ca 0.15 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 1r0c n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1r0c s LYS 94 N -2.00 0.74 -0.12 1.61 2.20 -1.26 -0.61 119.74 120.30 1r0c s LYS 94 Ca 0.00 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.61 1r0c s LYS 94 Cb 0.00 0.35 0.12 0.00 -1.51 0.00 0.00 37.83 36.80 1r0c s LYS 94 CO 0.00 -0.21 1.01 -1.54 -0.36 0.00 0.00 175.35 174.25 1r0c s SER 95 N -0.85 -0.32 0.00 1.43 1.04 -1.04 -4.98 113.70 108.98 1r0c s SER 95 Ca -0.04 0.19 0.06 0.00 0.48 0.00 0.00 55.95 56.65 1r0c s SER 95 Cb -0.01 0.29 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 1r0c s SER 95 CO 0.03 -0.40 -0.18 -0.60 0.98 0.00 0.00 173.24 173.07 1r0c s ARG 96 N -1.95 2.22 0.35 4.02 6.06 -1.26 -1.95 118.95 126.43 1r0c s ARG 96 Ca 0.03 -0.88 -0.29 0.00 -2.50 0.00 0.00 55.73 52.09 1r0c s ARG 96 Cb -0.01 -2.23 -0.11 0.00 0.06 0.00 0.00 34.95 32.66 1r0c s ARG 96 CO -0.03 0.57 1.53 -2.14 -2.50 0.00 0.00 175.30 172.73 1r0c s PRO 97 N -1.10 4.11 -0.08 5.12 0.02 -1.26 -4.90 135.00 136.91 1r0c s PRO 97 Ca 0.13 2.59 0.02 0.00 0.02 0.00 0.00 61.00 63.76 1r0c s PRO 97 Cb -0.10 -2.98 0.01 0.00 0.02 0.00 0.00 34.50 31.44 1r0c s PRO 97 CO 0.03 -0.58 -0.13 -1.54 -0.33 0.00 0.00 177.00 174.45 1r0c s SER 98 N 0.09 2.00 -0.43 2.53 1.04 -1.26 -4.84 113.70 112.83 1r0c s SER 98 Ca 0.57 -0.34 -0.43 0.00 0.48 0.00 0.00 55.95 56.23 1r0c s SER 98 Cb -0.47 -0.91 -0.18 0.00 0.10 0.00 0.00 66.02 64.56 1r0c s SER 98 CO 0.58 0.03 1.84 -0.11 0.98 0.00 0.00 173.24 176.56 1r0c n LEU 99 N 3.90 1.52 0.00 2.42 7.94 -1.26 -4.60 117.00 126.92 1r0c n LEU 99 Ca -0.21 0.95 -0.22 0.00 -1.11 0.00 0.00 56.01 55.42 1r0c n LEU 99 Cb 0.52 -1.00 0.18 0.00 0.53 0.00 0.00 43.42 43.66 1r0c n LEU 99 CO 0.25 -0.70 0.44 -2.65 -1.11 0.00 0.00 177.39 173.62 1r0c n PRO 100 N 5.68 -2.60 -0.00 1.96 -0.02 -1.26 -4.98 135.00 133.78 1r0c n PRO 100 Ca 0.37 -1.28 0.07 0.00 -2.02 0.00 0.00 63.50 60.63 1r0c n PRO 100 Cb 0.03 -1.21 -0.09 0.00 -0.02 0.00 0.00 33.50 32.21 1r0c n PRO 100 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 1r0c n GLU 101 N -3.97 1.80 -3.79 -0.52 0.28 -1.26 -4.66 120.64 108.51 1r0c n GLU 101 Ca 0.11 -0.03 -0.13 0.00 -0.16 0.00 0.00 57.16 56.96 1r0c n GLU 101 Cb 0.43 -1.23 -0.11 0.00 1.43 0.00 0.00 31.44 31.97 1r0c n GLU 101 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 1r0c s ARG 102 N -2.52 0.37 -0.07 3.44 3.52 -1.26 -0.85 118.95 121.58 1r0c s ARG 102 Ca 0.03 0.19 -0.01 0.00 -0.13 0.00 0.00 55.73 55.81 1r0c s ARG 102 Cb 0.11 0.17 0.03 0.00 -1.56 0.00 0.00 34.95 33.70 1r0c s ARG 102 CO 0.61 -0.06 0.01 0.42 -0.81 0.00 0.00 175.30 175.46 1r0c s ILE 103 N -0.24 0.31 0.40 4.11 1.01 -0.54 -4.97 121.20 121.27 1r0c s ILE 103 Ca -0.04 0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.85 1r0c s ILE 103 Cb -0.03 -0.47 -0.08 0.00 0.01 0.00 0.00 42.46 41.89 1r0c s ILE 103 CO 0.01 0.25 -0.00 -1.81 0.00 0.00 0.00 174.94 173.38 1r0c s ASP 104 N 1.97 3.88 0.00 3.58 1.01 -1.26 -1.71 116.67 124.14 1r0c s ASP 104 Ca 0.05 -1.31 0.00 0.00 0.71 0.00 0.00 52.55 51.99 1r0c s ASP 104 Cb -0.12 -0.40 0.00 0.00 1.01 0.00 0.00 42.92 43.41 1r0c s ASP 104 CO -0.05 -0.40 0.00 0.59 0.21 0.00 0.00 175.17 175.52 1r0c n ASN 105 N -0.95 -2.22 0.00 0.27 3.02 -0.61 -4.57 115.26 110.20 1r0c n ASN 105 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.50 1r0c n ASN 105 Cb 0.66 -1.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.10 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 -0.81 0.00 -2.26 2.41 0.31 -1.26 -4.88 118.33 111.84 1r0c n VAL 106 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.04 1r0c n VAL 106 Cb 0.18 -0.45 0.01 0.00 -0.91 0.00 0.00 33.84 32.68 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 -4.54 3.36 0.02 7.52 1.43 -1.26 -5.09 118.68 120.12 1r0c s LEU 107 Ca 0.00 1.09 0.08 0.00 -1.03 0.00 0.00 54.13 54.28 1r0c s LEU 107 Cb 0.00 -4.05 -0.03 0.00 0.03 0.00 0.00 46.19 42.15 1r0c s LEU 107 CO 0.00 -0.82 -0.25 -0.69 0.23 0.00 0.00 176.35 174.81 1r0c s VAL 108 N -2.99 2.21 -0.07 -1.59 1.01 -1.26 -4.73 120.40 112.98 1r0c s VAL 108 Ca 0.52 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 1r0c s VAL 108 Cb -0.11 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1r0c s VAL 108 CO 0.49 0.44 1.01 0.00 0.00 0.00 0.00 175.10 177.03 1r0c h PRO 110 N 7.02 0.00 -6.50 0.00 0.11 -1.92 -3.41 132.00 127.30 1r0c h PRO 110 Ca -0.34 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.20 1r0c h PRO 110 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 1r0c h PRO 110 CO 0.83 0.07 1.09 1.21 -0.21 0.00 0.00 178.00 180.99 1r0c s ASN 111 N -6.22 6.30 0.58 -2.05 2.47 -1.26 -4.89 114.94 109.88 1r0c s ASN 111 Ca -0.04 0.88 0.36 0.00 0.42 0.00 0.00 52.86 54.48 1r0c s ASN 111 Cb 0.14 -2.54 1.75 0.00 -1.45 0.00 0.00 41.25 39.15 1r0c s ASN 111 CO 0.58 -1.45 2.14 0.77 -3.72 0.00 0.00 177.10 175.41 1r0c h SER 112 N 10.87 0.00 -0.30 -4.21 4.64 -2.04 -2.36 113.55 120.15 1r0c h SER 112 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1r0c h SER 112 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1r0c h SER 112 CO 1.08 0.03 0.00 -3.20 -0.87 0.00 0.00 176.83 173.87 1r0c n ASN 113 N -3.21 2.30 -4.76 4.97 5.15 -1.26 -4.93 115.26 113.52 1r0c n ASN 113 Ca -0.01 -1.86 -0.41 0.00 -0.60 0.00 0.00 54.58 51.71 1r0c n ASN 113 Cb 0.21 -0.19 -0.03 0.00 -0.53 0.00 0.00 39.78 39.24 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 3.16 0.98 0.00 0.00 6.09 -1.91 -3.16 117.51 122.68 1r0c h ILE 115 Ca -0.48 -0.65 0.00 0.00 -1.37 0.00 0.00 64.86 62.36 1r0c h ILE 115 Cb 1.22 1.37 0.00 0.00 0.47 0.00 0.00 36.82 39.88 1r0c h ILE 115 CO 0.68 0.18 0.10 0.77 -3.07 0.00 0.00 178.15 176.80 1r0c h SER 116 N 0.00 0.00 -0.07 2.19 4.64 -1.91 -3.25 113.55 115.14 1r0c h SER 116 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1r0c h SER 116 Cb 0.35 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1r0c h SER 116 CO 0.02 0.00 -0.03 0.45 -0.87 0.00 0.00 176.83 176.40 1r0c h HIS 117 N 0.00 0.18 -0.01 4.77 3.86 -1.93 -3.30 115.15 118.72 1r0c h HIS 117 Ca 0.00 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1r0c h HIS 117 Cb 0.20 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1r0c h HIS 117 CO 0.00 0.52 -0.54 0.00 0.86 0.00 0.00 177.93 178.77 1r0c n ALA 118 N -2.34 3.70 -2.49 2.45 0.00 -1.23 -4.97 120.51 115.63 1r0c n ALA 118 Ca -0.07 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.54 1r0c n ALA 118 Cb 0.25 -0.93 -0.04 0.00 0.00 0.00 0.00 19.45 18.74 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 -2.68 3.69 -1.52 0.00 0.41 -1.23 -5.01 118.70 112.37 1r0c s GLU 119 Ca 0.17 0.10 -0.13 0.00 -0.41 0.00 0.00 54.97 54.70 1r0c s GLU 119 Cb 0.18 -2.66 -0.01 0.00 -1.78 0.00 0.00 34.13 29.85 1r0c s GLU 119 CO 0.64 0.27 2.51 -0.35 -0.49 0.00 0.00 175.26 177.84 1r0c n PRO 120 N -0.54 3.16 -4.19 0.39 -0.04 -1.26 -4.88 135.00 127.64 1r0c n PRO 120 Ca -0.01 -2.44 -0.11 0.00 -0.04 0.00 0.00 63.50 60.90 1r0c n PRO 120 Cb 0.53 -3.10 -0.10 0.00 -0.04 0.00 0.00 33.50 30.79 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 2.82 0.32 -0.07 0.52 -7.23 -1.26 -5.15 120.40 110.36 1r0c s VAL 121 Ca 0.56 -1.94 -0.13 0.00 -1.81 0.00 0.00 61.98 58.65 1r0c s VAL 121 Cb 0.15 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 1r0c s VAL 121 CO -0.08 -0.43 0.33 -0.44 -0.31 0.00 0.00 175.10 174.17 1r0c s SER 122 N -3.11 6.64 0.70 4.85 0.01 -1.26 -5.04 113.70 116.49 1r0c s SER 122 Ca 0.25 0.76 -0.16 0.00 1.31 0.00 0.00 55.95 58.11 1r0c s SER 122 Cb 0.07 -2.20 0.02 0.00 0.21 0.00 0.00 66.02 64.12 1r0c s SER 122 CO 0.03 0.27 1.19 -0.94 0.41 0.00 0.00 173.24 174.21 1r0c s SER 123 N -0.62 4.49 -0.26 2.44 1.04 -1.26 -4.77 113.70 114.75 1r0c s SER 123 Ca 0.21 2.31 -0.14 0.00 0.48 0.00 0.00 55.95 58.82 1r0c s SER 123 Cb -0.15 -2.59 0.09 0.00 0.10 0.00 0.00 66.02 63.47 1r0c s SER 123 CO 0.09 -2.06 0.63 -0.55 0.98 0.00 0.00 173.24 172.33 1r0c s SER 124 N -2.03 -0.88 0.01 7.02 0.15 -1.26 -1.57 113.70 115.14 1r0c s SER 124 Ca 0.74 1.40 0.03 0.00 0.70 0.00 0.00 55.95 58.83 1r0c s SER 124 Cb -0.28 1.44 -0.01 0.00 -1.71 0.00 0.00 66.02 65.45 1r0c s SER 124 CO 0.43 -0.23 -0.11 -0.36 1.20 0.00 0.00 173.24 174.17 1r0c s PHE 125 N 1.85 0.96 0.10 3.44 0.40 -0.69 -0.72 117.98 123.31 1r0c s PHE 125 Ca -0.09 -0.27 -0.21 0.00 -0.60 0.00 0.00 56.93 55.76 1r0c s PHE 125 Cb -0.07 -0.59 -0.07 0.00 0.51 0.00 0.00 43.02 42.80 1r0c s PHE 125 CO -0.18 -0.01 0.62 0.00 0.70 0.00 0.00 175.22 176.36 1r0c s ALA 126 N -0.58 3.55 -0.03 5.36 0.00 0.73 -1.46 121.76 129.33 1r0c s ALA 126 Ca 0.01 0.12 -0.00 0.00 0.00 0.00 0.00 51.96 52.10 1r0c s ALA 126 Cb -0.06 -2.72 -0.04 0.00 0.00 0.00 0.00 23.12 20.30 1r0c s ALA 126 CO 0.00 0.37 0.02 0.08 0.00 0.00 0.00 175.76 176.23 1r0c s VAL 127 N -1.11 4.35 -0.14 0.00 1.01 -0.03 -1.09 120.40 123.40 1r0c s VAL 127 Ca 0.31 -0.44 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 1r0c s VAL 127 Cb -0.20 -2.92 0.05 0.00 0.00 0.00 0.00 36.38 33.30 1r0c s VAL 127 CO 0.21 0.44 0.33 -0.13 0.00 0.00 0.00 175.10 175.95 1r0c s ARG 128 N -1.40 0.31 0.16 2.72 0.52 -0.72 -4.82 118.95 115.73 1r0c s ARG 128 Ca 0.18 0.64 -0.05 0.00 -0.52 0.00 0.00 55.73 55.98 1r0c s ARG 128 Cb -0.12 -0.04 -0.06 0.00 0.52 0.00 0.00 34.95 35.26 1r0c s ARG 128 CO 0.09 -0.14 0.40 0.21 0.02 0.00 0.00 175.30 175.88 1r0c s LYS 129 N 1.17 3.64 0.14 3.54 2.47 -1.26 -0.37 119.74 129.06 1r0c s LYS 129 Ca -0.08 -0.04 -0.25 0.00 -1.56 0.00 0.00 55.97 54.03 1r0c s LYS 129 Cb -0.08 -2.81 0.07 0.00 -1.46 0.00 0.00 37.83 33.54 1r0c s LYS 129 CO -0.09 0.44 1.01 0.50 0.16 0.00 0.00 175.35 177.36 1r0c s ARG 130 N -2.72 1.11 -0.47 4.03 6.06 -0.42 -4.93 118.95 121.62 1r0c s ARG 130 Ca 0.42 -0.63 -0.46 0.00 -2.50 0.00 0.00 55.73 52.57 1r0c s ARG 130 Cb -0.12 0.37 -0.19 0.00 0.06 0.00 0.00 34.95 35.07 1r0c s ARG 130 CO 0.24 -0.51 1.65 0.00 -2.50 0.00 0.00 175.30 174.18 1r0c n ALA 131 N -0.49 -1.09 -2.30 6.12 0.00 -1.26 -1.09 120.51 120.39 1r0c n ALA 131 Ca -0.06 0.46 -0.05 0.00 0.00 0.00 0.00 53.44 53.79 1r0c n ALA 131 Cb 0.61 -1.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.07 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 4.41 -2.14 -3.62 0.00 3.02 -1.26 -4.86 115.26 110.81 1r0c n ASN 132 Ca 0.31 0.34 -0.07 0.00 -0.03 0.00 0.00 54.58 55.13 1r0c n ASN 132 Cb -0.03 -1.95 -0.06 0.00 -0.61 0.00 0.00 39.78 37.13 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 -1.94 -0.25 -0.15 6.41 2.15 -0.25 -5.10 116.67 117.54 1r0c s ASP 133 Ca 0.00 0.39 -0.05 0.00 0.43 0.00 0.00 52.55 53.32 1r0c s ASP 133 Cb 0.00 0.36 -0.03 0.00 -0.30 0.00 0.00 42.92 42.95 1r0c s ASP 133 CO 0.00 -0.15 0.02 -0.63 -0.17 0.00 0.00 175.17 174.23 1r0c s ILE 134 N -0.45 4.39 -0.21 4.11 -1.09 -1.26 -1.30 121.20 125.39 1r0c s ILE 134 Ca 0.04 -0.19 -0.07 0.00 -2.23 0.00 0.00 60.65 58.20 1r0c s ILE 134 Cb -0.03 -2.93 -0.04 0.00 -1.58 0.00 0.00 42.46 37.89 1r0c s ILE 134 CO -0.06 0.51 0.06 0.00 -1.23 0.00 0.00 174.94 174.22 1r0c s ALA 135 N 0.02 3.29 -0.21 9.38 0.00 0.50 -0.73 121.76 134.01 1r0c s ALA 135 Ca 0.03 -0.90 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1r0c s ALA 135 Cb -0.13 -1.98 0.00 0.00 0.00 0.00 0.00 23.12 21.02 1r0c s ALA 135 CO 0.02 -0.09 -0.10 -0.51 0.00 0.00 0.00 175.76 175.08 1r0c s LEU 136 N 0.88 2.62 -0.17 0.00 1.43 0.13 -1.75 118.68 121.81 1r0c s LEU 136 Ca 0.04 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.58 1r0c s LEU 136 Cb -0.14 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 1r0c s LEU 136 CO 0.02 -0.01 0.06 -0.75 0.23 0.00 0.00 176.35 175.91 1r0c s LYS 137 N 1.41 3.88 0.08 1.70 2.20 -0.25 -1.61 119.74 127.14 1r0c s LYS 137 Ca 0.05 -0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 55.03 1r0c s LYS 137 Cb -0.14 -3.19 -0.06 0.00 -1.51 0.00 0.00 37.83 32.94 1r0c s LYS 137 CO -0.07 0.34 1.15 0.00 -0.36 0.00 0.00 175.35 176.41 1r0c h LYS 139 N 6.45 0.81 0.00 0.00 3.64 -1.28 -1.35 116.57 124.84 1r0c h LYS 139 Ca -0.42 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1r0c h LYS 139 Cb 1.21 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1r0c h LYS 139 CO 0.78 0.57 0.00 0.66 -2.27 0.00 0.00 179.45 179.19 1r0c n TYR 140 N -4.41 0.00 0.73 1.91 4.01 -1.26 -4.44 117.16 113.70 1r0c n TYR 140 Ca 0.06 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.90 1r0c n TYR 140 Cb 0.07 -0.38 0.47 0.00 -0.31 0.00 0.00 39.34 39.19 1r0c n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1r0c n GLU 142 N -1.57 -1.58 -3.44 0.00 1.02 -0.51 -4.97 120.64 109.59 1r0c n GLU 142 Ca 0.05 1.01 -0.32 0.00 -0.02 0.00 0.00 57.16 57.89 1r0c n GLU 142 Cb 0.26 -5.48 -0.05 0.00 -0.02 0.00 0.00 31.44 26.15 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 -4.16 3.77 -0.03 3.49 3.01 -1.26 -4.78 119.74 119.78 1r0c s LYS 143 Ca 0.00 0.21 0.05 0.00 -1.01 0.00 0.00 55.97 55.23 1r0c s LYS 143 Cb 0.00 -2.67 -0.02 0.00 -1.01 0.00 0.00 37.83 34.12 1r0c s LYS 143 CO 0.00 0.33 -0.18 -2.00 0.51 0.00 0.00 175.35 174.01 1r0c s GLU 144 N -2.84 2.34 0.15 1.68 2.12 -1.26 -1.58 118.70 119.31 1r0c s GLU 144 Ca 0.46 -0.79 -0.01 0.00 0.36 0.00 0.00 54.97 54.99 1r0c s GLU 144 Cb -0.11 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 31.98 1r0c s GLU 144 CO 0.22 0.60 0.07 -0.06 -0.54 0.00 0.00 175.26 175.55 1r0c s PHE 145 N -0.71 0.96 0.20 5.30 0.08 -0.63 -4.97 117.98 118.20 1r0c s PHE 145 Ca 0.11 -1.26 -0.19 0.00 0.12 0.00 0.00 56.93 55.72 1r0c s PHE 145 Cb -0.10 -0.51 -0.08 0.00 -0.57 0.00 0.00 43.02 41.75 1r0c s PHE 145 CO 0.00 -0.53 0.68 0.45 -0.10 0.00 0.00 175.22 175.72 1r0c s SER 146 N -3.08 7.02 0.63 1.36 0.15 -1.26 0.18 113.70 118.70 1r0c s SER 146 Ca 0.28 1.35 0.39 0.00 0.70 0.00 0.00 55.95 58.67 1r0c s SER 146 Cb 0.07 -2.39 2.17 0.00 -1.71 0.00 0.00 66.02 64.16 1r0c s SER 146 CO 0.04 0.06 2.31 1.12 1.20 0.00 0.00 173.24 177.97 1r0c h HIS 147 N 3.53 0.00 0.00 3.44 2.07 -1.31 0.16 115.15 123.04 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 0.64 0.01 0.00 0.09 -3.07 0.00 0.00 177.93 175.60 1r0c n ASN 148 N -3.30 0.51 -0.07 3.10 3.02 -1.26 -1.14 115.26 116.12 1r0c n ASN 148 Ca -0.03 0.58 -0.20 0.00 -0.03 0.00 0.00 54.58 54.90 1r0c n ASN 148 Cb 0.10 -0.71 -0.13 0.00 -0.61 0.00 0.00 39.78 38.43 1r0c n ASN 148 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1r0c n VAL 149 N -2.02 1.63 0.18 2.41 0.31 0.50 -4.17 118.33 117.16 1r0c n VAL 149 Ca 0.04 -0.60 0.04 0.00 -0.01 0.00 0.00 64.34 63.82 1r0c n VAL 149 Cb 0.32 -1.59 0.32 0.00 -0.91 0.00 0.00 33.84 31.99 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 -0.01 1.04 -0.49 2.52 2.07 -1.29 -2.89 116.25 117.20 1r0c h VAL 150 Ca -0.51 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.45 1r0c h VAL 150 Cb 1.95 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.63 1r0c h VAL 150 CO -0.02 0.41 0.00 0.18 0.02 0.00 0.00 177.57 178.16 1r0c n LEU 151 N -3.67 3.85 -2.95 2.57 4.77 -0.30 -4.30 117.00 116.98 1r0c n LEU 151 Ca -0.01 -1.94 -0.26 0.00 -0.03 0.00 0.00 56.01 53.77 1r0c n LEU 151 Cb 0.50 -0.52 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1r0c n LEU 151 CO 0.38 0.63 0.13 0.00 -1.33 0.00 0.00 177.39 177.19 1r0c n ALA 152 N 0.77 4.52 1.67 -1.18 0.00 -1.09 -5.04 120.51 120.16 1r0c n ALA 152 Ca 0.20 -4.63 0.15 0.00 0.00 0.00 0.00 53.44 49.16 1r0c n ALA 152 Cb 0.74 -0.74 0.67 0.00 0.00 0.00 0.00 19.45 20.12 1r0c n ALA 152 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77