#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rab s THR 2 N 0.00 4.73 -0.34 1.12 -4.23 -1.26 -4.34 115.64 111.32 1rab s THR 2 Ca 0.00 -2.19 0.15 0.00 -1.18 0.00 0.00 61.69 58.47 1rab s THR 2 Cb 0.00 -4.02 0.44 0.00 1.34 0.00 0.00 72.50 70.26 1rab s THR 2 CO 0.00 -0.89 1.16 1.57 -0.54 0.00 0.00 174.62 175.92 1rab n HIS 3 N 4.38 -0.29 0.00 3.99 -0.00 -1.26 -5.03 115.22 117.01 1rab n HIS 3 Ca 0.01 -2.31 0.00 0.00 -0.00 0.00 0.00 57.72 55.42 1rab n HIS 3 Cb 0.42 0.46 0.00 0.00 -0.00 0.00 0.00 29.99 30.87 1rab n HIS 3 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1rab n ASP 4 N -0.46 0.00 0.00 0.26 8.00 -1.26 -4.83 116.55 118.26 1rab n ASP 4 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1rab n ASP 4 Cb 0.83 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 1rab n ASP 4 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1rab n ASN 5 N 0.00 0.00 -0.13 -2.24 3.02 -1.26 -1.78 115.26 112.87 1rab n ASN 5 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 1rab n ASN 5 Cb 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 39.78 39.06 1rab n ASN 5 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1rab n LYS 6 N 0.00 0.61 -2.92 3.52 2.85 -1.26 -5.02 118.16 115.94 1rab n LYS 6 Ca 0.00 0.21 -0.10 0.00 -1.05 0.00 0.00 58.31 57.36 1rab n LYS 6 Cb 0.00 -1.49 0.01 0.00 -0.65 0.00 0.00 35.03 32.90 1rab n LYS 6 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1rab n LEU 7 N -3.77 -7.19 -4.20 -5.58 7.94 -0.73 -3.99 117.00 99.48 1rab n LEU 7 Ca -0.50 0.62 -0.30 0.00 -1.11 0.00 0.00 56.01 54.71 1rab n LEU 7 Cb 0.93 -3.13 -0.07 0.00 0.53 0.00 0.00 43.42 41.69 1rab n LEU 7 CO 0.14 -2.22 -0.34 0.00 -1.11 0.00 0.00 177.39 173.86 1rab n GLN 8 N -0.05 -1.88 -2.37 1.96 3.00 -1.26 -4.84 117.38 111.94 1rab n GLN 8 Ca 0.07 0.22 -0.38 0.00 -0.01 0.00 0.00 57.00 56.90 1rab n GLN 8 Cb 0.41 -4.08 -0.03 0.00 0.00 0.00 0.00 30.24 26.54 1rab n GLN 8 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 1rab s VAL 9 N -4.09 3.33 0.00 5.09 -7.23 -1.26 -4.80 120.40 111.45 1rab s VAL 9 Ca 0.11 1.09 0.00 0.00 -1.81 0.00 0.00 61.98 61.37 1rab s VAL 9 Cb -0.06 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.28 1rab s VAL 9 CO 0.96 0.08 0.77 -0.62 -0.31 0.00 0.00 175.10 175.98 1rab n GLU 10 N 0.06 0.00 -2.42 4.82 4.71 -1.26 -4.83 120.64 121.72 1rab n GLU 10 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.77 1rab n GLU 10 Cb 0.47 -0.78 -0.02 0.00 -1.01 0.00 0.00 31.44 30.10 1rab n GLU 10 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1rab s ALA 11 N 0.07 3.49 0.31 0.62 0.00 -1.26 -4.99 121.76 120.00 1rab s ALA 11 Ca 0.00 0.25 -0.02 0.00 0.00 0.00 0.00 51.96 52.19 1rab s ALA 11 Cb 0.00 -3.71 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 1rab s ALA 11 CO 0.00 -1.52 0.55 0.96 0.00 0.00 0.00 175.76 175.75 1rab s ILE 12 N 4.01 5.07 -0.14 0.00 -4.36 -1.26 -5.02 121.20 119.49 1rab s ILE 12 Ca 0.55 -0.17 -0.28 0.00 -0.26 0.00 0.00 60.65 60.49 1rab s ILE 12 Cb -0.19 -3.79 -0.25 0.00 1.25 0.00 0.00 42.46 39.48 1rab s ILE 12 CO 0.19 -0.43 0.77 0.50 0.24 0.00 0.00 174.94 176.21 1rab h LYS 13 N 1.27 -0.00 -3.42 0.37 3.64 -1.94 -3.38 116.57 113.11 1rab h LYS 13 Ca -0.48 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 58.61 1rab h LYS 13 Cb 1.20 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.69 1rab h LYS 13 CO 0.64 0.97 -0.68 0.50 -2.27 0.00 0.00 179.45 178.61 1rab s ARG 14 N -2.25 0.01 0.00 1.90 3.52 -1.26 -0.63 118.95 120.23 1rab s ARG 14 Ca -0.19 0.26 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 1rab s ARG 14 Cb -0.03 -0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.13 1rab s ARG 14 CO 0.68 -0.17 0.00 0.41 -0.81 0.00 0.00 175.30 175.40 1rab n GLY 15 N 4.23 -0.63 3.36 8.12 0.00 0.60 -0.27 105.19 120.60 1rab n GLY 15 Ca -0.27 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.14 1rab n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rab s THR 16 N -2.92 2.79 -0.22 2.61 2.01 -0.30 -1.51 115.64 118.10 1rab s THR 16 Ca 0.00 -0.77 -0.02 0.00 0.31 0.00 0.00 61.69 61.20 1rab s THR 16 Cb 0.00 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.39 1rab s THR 16 CO 0.00 0.55 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.71 1rab s VAL 17 N 0.07 3.02 -0.19 3.82 1.01 -0.79 -1.00 120.40 126.33 1rab s VAL 17 Ca -0.07 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1rab s VAL 17 Cb -0.15 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1rab s VAL 17 CO 0.05 0.39 0.18 -0.63 0.00 0.00 0.00 175.10 175.09 1rab s ILE 18 N 1.41 5.38 0.23 2.22 1.01 0.12 -2.15 121.20 129.42 1rab s ILE 18 Ca 0.04 0.30 0.03 0.00 0.00 0.00 0.00 60.65 61.02 1rab s ILE 18 Cb -0.15 -3.52 -0.05 0.00 0.01 0.00 0.00 42.46 38.75 1rab s ILE 18 CO -0.05 0.42 0.02 -0.62 0.00 0.00 0.00 174.94 174.71 1rab s ASP 19 N 0.39 1.64 -1.51 3.58 2.15 -1.11 -1.53 116.67 120.27 1rab s ASP 19 Ca 0.11 -1.25 -0.13 0.00 0.43 0.00 0.00 52.55 51.70 1rab s ASP 19 Cb -0.12 0.05 0.08 0.00 -0.30 0.00 0.00 42.92 42.63 1rab s ASP 19 CO -0.00 -0.57 1.01 1.57 -0.17 0.00 0.00 175.17 177.01 1rab n HIS 20 N -0.42 -2.38 -2.61 -5.34 -0.00 -1.23 -2.36 115.22 100.89 1rab n HIS 20 Ca -0.04 0.92 -0.43 0.00 0.46 0.00 0.00 57.72 58.63 1rab n HIS 20 Cb 0.64 -4.11 -0.02 0.00 -0.12 0.00 0.00 29.99 26.39 1rab n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1rab s ILE 21 N -3.30 4.53 -1.04 3.57 1.01 -0.96 -4.20 121.20 120.82 1rab s ILE 21 Ca 0.66 1.82 0.00 0.00 0.00 0.00 0.00 60.65 63.13 1rab s ILE 21 Cb -0.32 -4.30 0.00 0.00 0.01 0.00 0.00 42.46 37.84 1rab s ILE 21 CO 0.82 -0.30 0.20 -0.81 0.00 0.00 0.00 174.94 174.85 1rab n PRO 22 N 6.62 0.00 0.00 2.79 -0.04 -1.26 -0.13 135.00 142.97 1rab n PRO 22 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1rab n PRO 22 Cb 0.46 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1rab n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rab n ALA 23 N -0.65 -0.24 0.00 0.55 0.00 -1.26 -4.69 120.51 114.22 1rab n ALA 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1rab n ALA 23 Cb 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.40 1rab n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rab n GLN 24 N 2.29 0.00 0.13 0.00 3.00 -1.26 -4.55 117.38 116.98 1rab n GLN 24 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 1rab n GLN 24 Cb 0.00 -3.43 0.15 0.00 0.00 0.00 0.00 30.24 26.96 1rab n GLN 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 1rab h ILE 25 N 0.00 0.00 -0.08 5.09 2.04 -1.90 -3.36 117.51 119.31 1rab h ILE 25 Ca 0.00 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.08 1rab h ILE 25 Cb 0.00 1.56 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 1rab h ILE 25 CO 0.00 0.00 -0.46 1.23 0.00 0.00 0.00 178.15 178.92 1rab h GLY 26 N 4.18 -0.85 1.45 5.37 0.00 -1.88 0.44 103.07 111.79 1rab h GLY 26 Ca 0.00 0.57 -0.07 0.00 0.00 0.00 0.00 47.33 47.83 1rab h GLY 26 CO 0.00 -0.23 -0.03 -2.75 0.00 0.00 0.00 176.54 173.53 1rab h PHE 27 N -0.56 0.72 -0.18 5.60 3.57 -1.97 -3.03 116.94 121.10 1rab h PHE 27 Ca 0.05 -0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.50 1rab h PHE 27 Cb 0.66 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 1rab h PHE 27 CO -0.49 0.69 -0.10 -0.22 -2.23 0.00 0.00 178.31 175.96 1rab h LYS 28 N 0.63 -0.09 -0.52 1.11 3.64 -1.47 -1.86 116.57 118.01 1rab h LYS 28 Ca 0.12 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1rab h LYS 28 Cb 0.44 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.25 1rab h LYS 28 CO 0.02 -0.06 0.27 -0.07 -2.27 0.00 0.00 179.45 177.34 1rab h LEU 29 N -0.09 0.64 -0.65 5.20 3.38 -0.90 0.26 115.31 123.14 1rab h LEU 29 Ca 0.10 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1rab h LEU 29 Cb 0.24 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1rab h LEU 29 CO -0.23 0.53 0.14 -0.07 0.09 0.00 0.00 178.44 178.90 1rab h LEU 30 N 0.72 1.00 0.05 1.67 3.38 -1.23 -2.50 115.31 118.39 1rab h LEU 30 Ca 0.18 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1rab h LEU 30 Cb 0.04 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1rab h LEU 30 CO -0.03 0.98 -0.02 0.28 0.09 0.00 0.00 178.44 179.74 1rab h SER 31 N 0.97 -0.05 -0.93 -0.43 0.02 -0.77 -2.40 113.55 109.95 1rab h SER 31 Ca 0.20 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.28 1rab h SER 31 Cb 0.38 0.01 -0.09 0.00 0.14 0.00 0.00 62.40 62.85 1rab h SER 31 CO 0.00 -0.03 0.55 -0.07 -1.14 0.00 0.00 176.83 176.15 1rab h LEU 32 N -0.09 0.77 -3.11 5.07 3.38 -1.03 0.23 115.31 120.54 1rab h LEU 32 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rab h LEU 32 Cb 0.05 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1rab h LEU 32 CO 0.01 0.39 0.00 0.49 0.09 0.00 0.00 178.44 179.42 1rab n PHE 33 N -4.72 1.56 -3.72 1.13 3.72 -0.94 -4.90 117.46 109.59 1rab n PHE 33 Ca 0.18 -0.60 -0.25 0.00 -0.05 0.00 0.00 57.45 56.72 1rab n PHE 33 Cb 0.38 -0.28 0.01 0.00 -0.94 0.00 0.00 39.48 38.64 1rab n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1rab n LYS 34 N 1.04 -0.70 0.18 -1.08 5.02 0.07 -4.88 118.16 117.81 1rab n LYS 34 Ca 0.26 0.10 0.13 0.00 -2.02 0.00 0.00 58.31 56.78 1rab n LYS 34 Cb 0.92 -1.32 0.32 0.00 -0.02 0.00 0.00 35.03 34.93 1rab n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1rab h LEU 35 N -0.33 0.00 -0.35 -0.35 3.38 -1.67 -3.30 115.31 112.68 1rab h LEU 35 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 1rab h LEU 35 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1rab h LEU 35 CO 0.30 0.00 -0.13 0.35 0.09 0.00 0.00 178.44 179.05 1rab n THR 36 N -2.74 0.00 -2.50 0.22 -2.24 -1.26 -4.48 114.28 101.28 1rab n THR 36 Ca 0.04 -0.09 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 1rab n THR 36 Cb 0.46 0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 1rab n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rab n GLU 37 N -0.77 3.44 -3.52 -0.78 1.02 -1.25 -4.72 120.64 114.06 1rab n GLU 37 Ca 0.15 -3.54 -0.15 0.00 -0.02 0.00 0.00 57.16 53.60 1rab n GLU 37 Cb 0.29 -3.03 -0.05 0.00 -0.02 0.00 0.00 31.44 28.63 1rab n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1rab s THR 38 N 1.28 0.00 -1.43 2.62 -1.32 -1.26 -5.05 115.64 110.48 1rab s THR 38 Ca 0.42 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 61.15 1rab s THR 38 Cb 0.05 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.11 1rab s THR 38 CO 0.00 0.00 1.35 0.47 -2.21 0.00 0.00 174.62 174.23 1rab n ASP 39 N 0.68 0.99 -4.84 8.08 8.00 -1.26 -4.96 116.55 123.24 1rab n ASP 39 Ca -0.16 -0.78 -0.31 0.00 0.71 0.00 0.00 54.79 54.25 1rab n ASP 39 Cb 0.58 0.35 0.05 0.00 -0.02 0.00 0.00 41.12 42.08 1rab n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1rab s GLN 40 N -2.74 2.92 0.02 -1.24 1.11 -1.26 -4.98 119.66 113.48 1rab s GLN 40 Ca 0.17 0.79 -0.30 0.00 0.01 0.00 0.00 55.36 56.03 1rab s GLN 40 Cb 0.18 -2.00 -0.08 0.00 -1.01 0.00 0.00 33.01 30.10 1rab s GLN 40 CO 0.64 -1.07 1.77 0.50 0.01 0.00 0.00 175.29 177.14 1rab s ARG 41 N -5.13 4.17 0.09 2.91 6.06 -1.26 -4.85 118.95 120.94 1rab s ARG 41 Ca 0.58 2.39 0.10 0.00 -2.50 0.00 0.00 55.73 56.29 1rab s ARG 41 Cb -0.13 -3.94 -0.03 0.00 0.06 0.00 0.00 34.95 30.91 1rab s ARG 41 CO 0.54 -0.86 -0.25 0.42 -2.50 0.00 0.00 175.30 172.65 1rab s ILE 42 N 3.79 2.09 -0.04 4.11 1.01 -1.26 -1.12 121.20 129.77 1rab s ILE 42 Ca 0.79 -1.56 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1rab s ILE 42 Cb -0.39 -1.83 0.03 0.00 0.01 0.00 0.00 42.46 40.28 1rab s ILE 42 CO 0.35 0.17 0.05 0.42 0.00 0.00 0.00 174.94 175.92 1rab s THR 43 N -0.97 -0.01 0.09 2.92 -4.23 -0.66 -4.99 115.64 107.80 1rab s THR 43 Ca 0.12 0.35 0.06 0.00 -1.18 0.00 0.00 61.69 61.04 1rab s THR 43 Cb -0.10 -0.22 -0.04 0.00 1.34 0.00 0.00 72.50 73.48 1rab s THR 43 CO 0.04 0.19 -0.08 -0.63 -0.54 0.00 0.00 174.62 173.61 1rab s ILE 44 N 2.05 3.53 -0.08 2.99 1.01 -1.26 -0.56 121.20 128.88 1rab s ILE 44 Ca 0.04 -1.17 -0.01 0.00 0.00 0.00 0.00 60.65 59.51 1rab s ILE 44 Cb -0.12 -2.65 0.03 0.00 0.01 0.00 0.00 42.46 39.72 1rab s ILE 44 CO -0.03 0.14 -0.03 -0.83 0.00 0.00 0.00 174.94 174.18 1rab s GLY 45 N -2.17 0.59 -0.07 6.18 0.00 -0.40 -5.02 107.32 106.43 1rab s GLY 45 Ca 0.22 -0.26 0.05 0.00 0.00 0.00 0.00 44.72 44.73 1rab s GLY 45 CO 0.14 0.96 -0.22 1.08 0.00 0.00 0.00 173.10 175.06 1rab s LEU 46 N 1.77 2.25 -1.06 0.66 1.43 -1.26 -1.41 118.68 121.06 1rab s LEU 46 Ca 0.03 -0.45 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1rab s LEU 46 Cb -0.13 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.66 1rab s LEU 46 CO -0.06 0.23 0.88 0.59 0.23 0.00 0.00 176.35 178.23 1rab n ASN 47 N 3.03 -2.08 -4.83 2.29 3.02 -0.66 -4.99 115.26 111.03 1rab n ASN 47 Ca -0.18 -0.55 -0.34 0.00 -0.03 0.00 0.00 54.58 53.49 1rab n ASN 47 Cb 0.52 -4.58 -0.06 0.00 -0.61 0.00 0.00 39.78 35.05 1rab n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rab s LEU 48 N -5.85 4.12 -0.23 3.41 1.43 0.45 -4.84 118.68 117.16 1rab s LEU 48 Ca 0.01 1.47 -0.35 0.00 -1.03 0.00 0.00 54.13 54.22 1rab s LEU 48 Cb -0.00 -4.08 -0.12 0.00 0.03 0.00 0.00 46.19 42.02 1rab s LEU 48 CO 0.64 -0.18 2.00 -0.81 0.23 0.00 0.00 176.35 178.24 1rab n PRO 49 N -0.10 1.56 -3.49 1.29 -0.04 -1.26 -0.12 135.00 132.84 1rab n PRO 49 Ca 0.03 0.52 -0.43 0.00 -0.04 0.00 0.00 63.50 63.58 1rab n PRO 49 Cb 0.53 -2.53 -0.06 0.00 -0.04 0.00 0.00 33.50 31.40 1rab n PRO 49 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1rab s SER 50 N 5.58 6.06 0.54 3.54 0.15 -1.21 -4.74 113.70 123.63 1rab s SER 50 Ca 1.01 -2.55 0.36 0.00 0.70 0.00 0.00 55.95 55.47 1rab s SER 50 Cb -0.79 -2.06 1.96 0.00 -1.71 0.00 0.00 66.02 63.41 1rab s SER 50 CO 0.52 -0.55 2.10 1.23 1.20 0.00 0.00 173.24 177.74 1rab h GLY 51 N 7.73 0.00 0.00 9.45 0.00 -1.92 -3.30 103.07 115.04 1rab h GLY 51 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 1rab h GLY 51 CO 0.78 0.00 -1.38 1.18 0.00 0.00 0.00 176.54 177.12 1rab n GLU 52 N -2.77 0.37 -3.26 4.80 1.02 -1.26 -4.96 120.64 114.59 1rab n GLU 52 Ca -0.02 0.16 -0.25 0.00 -0.02 0.00 0.00 57.16 57.03 1rab n GLU 52 Cb 0.07 -1.14 -0.07 0.00 -0.02 0.00 0.00 31.44 30.28 1rab n GLU 52 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1rab n MET 53 N -3.98 1.41 0.00 3.49 1.56 -1.25 -5.08 117.12 113.26 1rab n MET 53 Ca -0.24 -3.76 0.00 0.00 -0.27 0.00 0.00 57.70 53.43 1rab n MET 53 Cb 0.56 -1.62 0.00 0.00 2.15 0.00 0.00 33.22 34.32 1rab n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1rab n GLY 54 N 1.10 0.52 3.29 -5.12 0.00 -1.24 -4.87 105.19 98.88 1rab n GLY 54 Ca 0.24 -1.49 -0.17 0.00 0.00 0.00 0.00 46.02 44.61 1rab n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rab s ARG 55 N 0.00 1.18 0.35 1.61 3.52 -1.26 -3.32 118.95 121.02 1rab s ARG 55 Ca 0.00 -1.47 -0.03 0.00 -0.13 0.00 0.00 55.73 54.10 1rab s ARG 55 Cb 0.00 -0.91 0.01 0.00 -1.56 0.00 0.00 34.95 32.49 1rab s ARG 55 CO 0.00 0.15 0.50 0.36 -0.81 0.00 0.00 175.30 175.50 1rab n LYS 56 N -0.13 0.73 -4.42 5.12 2.85 0.83 -4.06 118.16 119.08 1rab n LYS 56 Ca -0.10 -2.67 -0.20 0.00 -1.05 0.00 0.00 58.31 54.28 1rab n LYS 56 Cb 0.60 2.63 -0.11 0.00 -0.65 0.00 0.00 35.03 37.51 1rab n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rab s ASP 57 N -3.10 2.09 -0.29 -5.58 1.01 0.81 -0.41 116.67 111.20 1rab s ASP 57 Ca 0.27 -1.38 -0.17 0.00 0.71 0.00 0.00 52.55 51.99 1rab s ASP 57 Cb -0.01 -0.03 0.12 0.00 1.01 0.00 0.00 42.92 44.01 1rab s ASP 57 CO 0.19 -0.64 0.89 -0.22 0.21 0.00 0.00 175.17 175.60 1rab s LEU 58 N -3.45 -0.65 -0.05 1.23 0.20 -0.50 -2.25 118.68 113.21 1rab s LEU 58 Ca 0.37 1.04 0.05 0.00 0.69 0.00 0.00 54.13 56.29 1rab s LEU 58 Cb 0.09 1.96 -0.02 0.00 -0.43 0.00 0.00 46.19 47.79 1rab s LEU 58 CO 0.15 -0.17 -0.21 -0.63 -0.29 0.00 0.00 176.35 175.21 1rab s ILE 59 N 1.37 2.46 -0.18 6.68 1.01 -0.58 -1.28 121.20 130.68 1rab s ILE 59 Ca -0.09 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.64 1rab s ILE 59 Cb -0.04 -1.92 0.02 0.00 0.01 0.00 0.00 42.46 40.53 1rab s ILE 59 CO -0.16 0.58 -0.19 -0.54 0.00 0.00 0.00 174.94 174.63 1rab s LYS 60 N -0.44 3.02 -0.18 2.79 1.02 0.28 -0.71 119.74 125.51 1rab s LYS 60 Ca 0.05 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.22 1rab s LYS 60 Cb -0.12 -2.60 0.01 0.00 -0.52 0.00 0.00 37.83 34.61 1rab s LYS 60 CO 0.01 -0.20 -0.17 0.42 -0.92 0.00 0.00 175.35 174.49 1rab s ILE 61 N 1.29 2.29 0.28 2.17 1.09 -0.18 -1.65 121.20 126.50 1rab s ILE 61 Ca 0.05 -0.87 -0.17 0.00 -1.10 0.00 0.00 60.65 58.56 1rab s ILE 61 Cb -0.13 -1.97 -0.09 0.00 -1.06 0.00 0.00 42.46 39.21 1rab s ILE 61 CO -0.12 0.52 0.74 -1.61 -0.10 0.00 0.00 174.94 174.37 1rab s GLU 62 N 1.27 4.12 -1.45 2.79 2.02 -0.28 -1.15 118.70 126.02 1rab s GLU 62 Ca 0.04 0.77 -0.10 0.00 0.02 0.00 0.00 54.97 55.70 1rab s GLU 62 Cb -0.13 -2.63 0.05 0.00 0.10 0.00 0.00 34.13 31.52 1rab s GLU 62 CO -0.10 0.26 0.94 0.09 0.02 0.00 0.00 175.26 176.47 1rab n ASN 63 N 0.11 -4.06 -3.75 -0.19 4.13 0.62 -4.57 115.26 107.55 1rab n ASN 63 Ca 0.01 -0.75 -0.13 0.00 1.68 0.00 0.00 54.58 55.38 1rab n ASN 63 Cb 0.52 -4.11 -0.14 0.00 -1.54 0.00 0.00 39.78 34.51 1rab n ASN 63 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1rab s THR 64 N -3.40 -0.05 -0.26 3.41 2.01 -1.26 -4.96 115.64 111.13 1rab s THR 64 Ca 0.48 0.17 0.01 0.00 0.31 0.00 0.00 61.69 62.66 1rab s THR 64 Cb -0.23 -0.25 0.07 0.00 0.01 0.00 0.00 72.50 72.10 1rab s THR 64 CO 0.81 0.07 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.43 1rab s PHE 65 N 1.13 2.63 -0.66 4.92 0.08 -1.26 -1.71 117.98 123.12 1rab s PHE 65 Ca -0.09 -2.02 -0.14 0.00 0.12 0.00 0.00 56.93 54.80 1rab s PHE 65 Cb -0.11 -1.86 0.17 0.00 -0.57 0.00 0.00 43.02 40.65 1rab s PHE 65 CO -0.06 -0.83 0.60 -1.17 -0.10 0.00 0.00 175.22 173.66 1rab s LEU 66 N 1.31 6.37 0.35 -0.37 2.96 -1.26 -5.04 118.68 123.00 1rab s LEU 66 Ca -0.02 -2.21 0.05 0.00 -0.22 0.00 0.00 54.13 51.73 1rab s LEU 66 Cb -0.19 -2.19 -0.07 0.00 0.50 0.00 0.00 46.19 44.25 1rab s LEU 66 CO -0.09 -0.71 0.04 -0.44 -1.32 0.00 0.00 176.35 173.84 1rab s SER 67 N 2.85 2.83 0.18 3.68 0.01 -1.26 -4.35 113.70 117.64 1rab s SER 67 Ca 0.10 -1.38 0.00 0.00 1.31 0.00 0.00 55.95 55.98 1rab s SER 67 Cb -0.21 -0.17 0.00 0.00 0.21 0.00 0.00 66.02 65.85 1rab s SER 67 CO -0.02 -0.57 0.00 -0.62 0.41 0.00 0.00 173.24 172.44 1rab n GLU 68 N -0.78 0.00 0.03 12.44 1.02 -1.26 -1.19 120.64 130.90 1rab n GLU 68 Ca -0.03 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.01 1rab n GLU 68 Cb 0.67 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 32.05 1rab n GLU 68 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 1rab h ASP 69 N 0.00 -0.57 -0.79 1.62 2.03 -2.00 -2.62 116.42 114.09 1rab h ASP 69 Ca 0.00 0.09 0.08 0.00 -0.73 0.00 0.00 57.03 56.47 1rab h ASP 69 Cb 0.00 0.25 -0.05 0.00 -0.83 0.00 0.00 39.33 38.70 1rab h ASP 69 CO 0.00 -0.25 0.51 1.56 -1.03 0.00 0.00 179.24 180.04 1rab h GLN 70 N -0.27 0.77 -0.32 4.15 4.20 -1.46 -0.61 115.11 121.57 1rab h GLN 70 Ca 0.08 -0.05 -0.14 0.00 0.06 0.00 0.00 58.65 58.60 1rab h GLN 70 Cb 0.38 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 1rab h GLN 70 CO -0.22 0.51 -0.35 0.28 -0.67 0.00 0.00 178.83 178.38 1rab h VAL 71 N 0.80 1.29 0.00 -0.54 2.07 -1.63 -3.25 116.25 114.99 1rab h VAL 71 Ca 0.35 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1rab h VAL 71 Cb 0.32 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1rab h VAL 71 CO -0.13 0.50 -0.05 0.44 0.02 0.00 0.00 177.57 178.34 1rab h ASP 72 N 0.57 0.00 0.54 0.57 5.19 -0.84 -2.56 116.42 119.88 1rab h ASP 72 Ca 0.05 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.37 1rab h ASP 72 Cb 0.93 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.43 1rab h ASP 72 CO 0.08 0.05 -0.42 1.56 -3.12 0.00 0.00 179.24 177.39 1rab h GLN 73 N 0.00 0.00 0.00 3.56 4.20 -1.54 -2.23 115.11 119.10 1rab h GLN 73 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rab h GLN 73 Cb 0.59 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.37 1rab h GLN 73 CO 0.01 0.42 0.00 1.28 -0.67 0.00 0.00 178.83 179.87 1rab n LEU 74 N -3.87 0.11 -0.33 1.46 4.77 -0.96 -2.79 117.00 115.39 1rab n LEU 74 Ca -0.01 0.53 0.03 0.00 -0.03 0.00 0.00 56.01 56.53 1rab n LEU 74 Cb 0.47 -0.52 0.21 0.00 -2.33 0.00 0.00 43.42 41.25 1rab n LEU 74 CO 0.39 -0.34 1.26 0.00 -1.33 0.00 0.00 177.39 177.36 1rab h ALA 75 N 2.39 1.46 0.00 -1.18 0.00 -1.54 -0.48 119.26 119.91 1rab h ALA 75 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1rab h ALA 75 Cb 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1rab h ALA 75 CO 0.00 0.41 -0.07 1.25 0.00 0.00 0.00 179.25 180.85 1rab h LEU 76 N 1.10 0.00 0.00 0.00 5.85 -1.75 -3.30 115.31 117.21 1rab h LEU 76 Ca 0.40 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.85 1rab h LEU 76 Cb 0.15 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1rab h LEU 76 CO -0.15 0.07 -1.85 -1.22 -0.34 0.00 0.00 178.44 174.95 1rab n TYR 77 N -3.35 0.00 -3.44 1.25 4.01 -0.64 -4.83 117.16 110.15 1rab n TYR 77 Ca -0.01 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.46 1rab n TYR 77 Cb 0.23 -0.72 -0.09 0.00 -0.31 0.00 0.00 39.34 38.45 1rab n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rab n ALA 78 N -4.17 3.57 0.25 -0.72 0.00 -0.28 -4.92 120.51 114.22 1rab n ALA 78 Ca -0.36 -4.36 0.10 0.00 0.00 0.00 0.00 53.44 48.82 1rab n ALA 78 Cb 0.71 -0.89 0.64 0.00 0.00 0.00 0.00 19.45 19.90 1rab n ALA 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1rab h PRO 79 N 4.40 0.00 -1.73 0.00 0.11 -1.74 -2.18 132.00 130.86 1rab h PRO 79 Ca 0.17 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.68 1rab h PRO 79 Cb 0.73 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.62 1rab h PRO 79 CO 0.72 0.15 0.72 0.00 -0.21 0.00 0.00 178.00 179.37 1rab n GLN 80 N -3.91 2.48 -5.09 1.05 10.64 -1.26 -4.65 117.38 116.65 1rab n GLN 80 Ca -0.02 -2.80 -0.32 0.00 -1.83 0.00 0.00 57.00 52.02 1rab n GLN 80 Cb 0.24 -2.13 -0.16 0.00 -0.86 0.00 0.00 30.24 27.33 1rab n GLN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1rab s ALA 81 N -2.94 2.32 -0.23 2.61 0.00 -0.82 -4.52 121.76 118.18 1rab s ALA 81 Ca 0.54 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.45 1rab s ALA 81 Cb 0.41 -0.90 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1rab s ALA 81 CO -0.21 0.32 0.10 0.95 0.00 0.00 0.00 175.76 176.92 1rab s THR 82 N 0.18 4.77 0.36 0.00 -4.23 -0.99 -4.04 115.64 111.69 1rab s THR 82 Ca -0.12 -0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.20 1rab s THR 82 Cb -0.16 -3.21 -0.09 0.00 1.34 0.00 0.00 72.50 70.38 1rab s THR 82 CO 0.07 0.37 0.80 -0.69 -0.54 0.00 0.00 174.62 174.62 1rab s VAL 83 N 1.14 4.61 -0.08 2.29 1.01 0.86 -2.77 120.40 127.47 1rab s VAL 83 Ca 0.05 1.07 -0.03 0.00 0.00 0.00 0.00 61.98 63.07 1rab s VAL 83 Cb -0.14 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.66 1rab s VAL 83 CO 0.04 -0.25 0.05 0.20 0.00 0.00 0.00 175.10 175.14 1rab s ASN 84 N -2.33 1.58 0.58 3.32 0.01 -0.91 -0.30 114.94 116.89 1rab s ASN 84 Ca 0.56 -0.15 -0.04 0.00 -0.71 0.00 0.00 52.86 52.52 1rab s ASN 84 Cb -0.10 -0.24 0.02 0.00 0.41 0.00 0.00 41.25 41.34 1rab s ASN 84 CO 0.17 -0.26 0.86 0.00 -1.51 0.00 0.00 177.10 176.36 1rab s ARG 85 N 2.11 2.77 -0.10 -0.60 3.03 -0.06 -1.89 118.95 124.21 1rab s ARG 85 Ca 0.04 -0.25 -0.05 0.00 2.03 0.00 0.00 55.73 57.50 1rab s ARG 85 Cb -0.13 -2.34 0.04 0.00 -1.03 0.00 0.00 34.95 31.49 1rab s ARG 85 CO -0.05 -0.71 0.24 0.42 -1.13 0.00 0.00 175.30 174.06 1rab s ILE 86 N -2.92 -0.04 -0.02 4.99 1.01 -0.57 -1.06 121.20 122.59 1rab s ILE 86 Ca 0.54 0.15 0.04 0.00 0.00 0.00 0.00 60.65 61.37 1rab s ILE 86 Cb -0.10 -0.37 -0.05 0.00 0.01 0.00 0.00 42.46 41.95 1rab s ILE 86 CO 0.43 0.06 0.06 -0.90 0.00 0.00 0.00 174.94 174.58 1rab n ASP 87 N 4.19 4.13 -3.13 3.58 5.75 -1.25 -0.29 116.55 129.52 1rab n ASP 87 Ca -0.25 0.00 0.03 0.00 -0.01 0.00 0.00 54.79 54.56 1rab n ASP 87 Cb 0.53 0.94 -0.00 0.00 -1.03 0.00 0.00 41.12 41.56 1rab n ASP 87 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1rab s ASN 88 N -2.83 -1.31 0.00 -1.12 0.01 -0.76 -4.49 114.94 104.43 1rab s ASN 88 Ca -0.02 -0.18 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 1rab s ASN 88 Cb 0.02 1.75 0.00 0.00 0.41 0.00 0.00 41.25 43.43 1rab s ASN 88 CO 0.15 -0.20 0.00 -1.22 -1.51 0.00 0.00 177.10 174.32 1rab n TYR 89 N 4.89 0.00 -3.84 2.20 4.01 0.20 -4.83 117.16 119.79 1rab n TYR 89 Ca 0.08 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.73 1rab n TYR 89 Cb 0.56 -0.69 -0.04 0.00 -0.31 0.00 0.00 39.34 38.86 1rab n TYR 89 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1rab s GLU 90 N -0.21 1.46 -0.28 -0.72 0.41 -1.26 -4.96 118.70 113.13 1rab s GLU 90 Ca 0.00 -1.01 -0.41 0.00 -0.41 0.00 0.00 54.97 53.15 1rab s GLU 90 Cb 0.00 0.51 -0.16 0.00 -1.78 0.00 0.00 34.13 32.69 1rab s GLU 90 CO 0.00 -0.62 1.70 0.28 -0.49 0.00 0.00 175.26 176.13 1rab n VAL 91 N -0.36 0.25 -0.11 2.63 0.31 -1.26 -3.84 118.33 115.96 1rab n VAL 91 Ca -0.07 -0.04 -0.16 0.00 -0.01 0.00 0.00 64.34 64.05 1rab n VAL 91 Cb 0.62 -1.10 -0.13 0.00 -0.91 0.00 0.00 33.84 32.32 1rab n VAL 91 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1rab n VAL 92 N 4.38 1.50 -3.88 2.52 0.31 -0.22 -4.95 118.33 117.98 1rab n VAL 92 Ca 0.27 -0.64 -0.11 0.00 -0.01 0.00 0.00 64.34 63.84 1rab n VAL 92 Cb 0.11 -1.24 -0.10 0.00 -0.91 0.00 0.00 33.84 31.70 1rab n VAL 92 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1rab s GLY 93 N -6.19 0.07 -0.14 2.92 0.00 -1.21 -4.96 107.32 97.81 1rab s GLY 93 Ca -0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 44.72 44.20 1rab s GLY 93 CO 0.67 -0.35 0.02 1.25 0.00 0.00 0.00 173.10 174.69 1rab s LYS 94 N -1.63 0.60 -0.04 2.90 2.20 -1.26 -0.88 119.74 121.63 1rab s LYS 94 Ca -0.13 -0.17 0.06 0.00 -0.36 0.00 0.00 55.97 55.37 1rab s LYS 94 Cb -0.06 -1.59 -0.01 0.00 -1.51 0.00 0.00 37.83 34.65 1rab s LYS 94 CO 0.00 -0.49 -0.23 -1.12 -0.36 0.00 0.00 175.35 173.15 1rab s SER 95 N 1.93 2.78 0.20 1.43 0.01 0.59 -4.96 113.70 115.68 1rab s SER 95 Ca 0.02 -0.45 -0.05 0.00 1.31 0.00 0.00 55.95 56.78 1rab s SER 95 Cb -0.15 -0.64 -0.05 0.00 0.21 0.00 0.00 66.02 65.38 1rab s SER 95 CO -0.07 0.24 0.44 -0.60 0.41 0.00 0.00 173.24 173.66 1rab s ARG 96 N -0.22 3.62 0.24 12.44 6.06 -1.26 -0.10 118.95 139.74 1rab s ARG 96 Ca -0.00 -0.07 -0.30 0.00 -2.50 0.00 0.00 55.73 52.86 1rab s ARG 96 Cb -0.12 -2.78 -0.09 0.00 0.06 0.00 0.00 34.95 32.02 1rab s ARG 96 CO 0.02 0.38 1.10 -1.25 -2.50 0.00 0.00 175.30 173.05 1rab s PRO 97 N -3.00 4.63 0.01 5.12 0.04 -1.26 -4.93 135.00 135.61 1rab s PRO 97 Ca 0.42 1.77 0.08 0.00 0.04 0.00 0.00 61.00 63.31 1rab s PRO 97 Cb -0.11 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1rab s PRO 97 CO 0.26 0.17 -0.24 -1.54 0.04 0.00 0.00 177.00 175.69 1rab s SER 98 N -0.62 3.28 0.19 6.66 1.04 -1.26 -4.91 113.70 118.07 1rab s SER 98 Ca 0.46 -0.49 -0.33 0.00 0.48 0.00 0.00 55.95 56.08 1rab s SER 98 Cb -0.31 -0.40 -0.15 0.00 0.10 0.00 0.00 66.02 65.26 1rab s SER 98 CO 0.39 0.29 1.28 -0.11 0.98 0.00 0.00 173.24 176.07 1rab n LEU 99 N 2.07 2.14 0.00 2.42 7.94 -1.26 -4.50 117.00 125.81 1rab n LEU 99 Ca -0.16 1.14 -0.05 0.00 -1.11 0.00 0.00 56.01 55.82 1rab n LEU 99 Cb 0.52 -1.29 0.03 0.00 0.53 0.00 0.00 43.42 43.20 1rab n LEU 99 CO 0.24 -0.96 0.14 -0.81 -1.11 0.00 0.00 177.39 174.89 1rab n PRO 100 N 2.01 0.19 -0.01 1.96 -0.04 -1.26 -5.00 135.00 132.86 1rab n PRO 100 Ca 0.14 -0.49 -0.18 0.00 -0.04 0.00 0.00 63.50 62.93 1rab n PRO 100 Cb 0.27 -0.19 -0.08 0.00 -0.04 0.00 0.00 33.50 33.46 1rab n PRO 100 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1rab h GLU 101 N 0.00 0.74 -3.51 0.54 4.57 -1.94 -3.43 114.58 111.54 1rab h GLU 101 Ca -0.07 -0.64 -0.11 0.00 -1.18 0.00 0.00 59.36 57.36 1rab h GLU 101 Cb 0.24 0.15 -0.17 0.00 -0.16 0.00 0.00 28.75 28.80 1rab h GLU 101 CO 0.07 1.24 -0.37 0.50 -1.18 0.00 0.00 179.01 179.27 1rab s ARG 102 N -3.64 0.70 -0.11 1.92 3.52 -1.26 -2.79 118.95 117.29 1rab s ARG 102 Ca -0.11 -0.60 0.01 0.00 -0.13 0.00 0.00 55.73 54.90 1rab s ARG 102 Cb 0.08 0.29 0.02 0.00 -1.56 0.00 0.00 34.95 33.78 1rab s ARG 102 CO 0.90 -0.21 -0.11 0.42 -0.81 0.00 0.00 175.30 175.49 1rab s ILE 103 N -2.52 1.26 0.17 4.11 1.01 -0.23 -4.95 121.20 120.05 1rab s ILE 103 Ca -0.05 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.19 1rab s ILE 103 Cb -0.01 -1.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 1rab s ILE 103 CO -0.04 0.40 0.03 -1.81 0.00 0.00 0.00 174.94 173.53 1rab s ASP 104 N 1.32 4.94 0.00 3.58 1.01 -1.26 -1.07 116.67 125.20 1rab s ASP 104 Ca -0.01 -0.33 0.00 0.00 0.71 0.00 0.00 52.55 52.92 1rab s ASP 104 Cb -0.14 -1.11 0.00 0.00 1.01 0.00 0.00 42.92 42.68 1rab s ASP 104 CO -0.05 0.09 0.00 0.59 0.21 0.00 0.00 175.17 176.00 1rab n ASN 105 N -0.16 0.00 -4.53 0.27 3.02 0.47 -4.78 115.26 109.55 1rab n ASN 105 Ca -0.09 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.05 1rab n ASN 105 Cb 0.55 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.62 1rab n ASN 105 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1rab s VAL 106 N 0.00 5.26 0.00 2.41 1.01 -1.26 -4.56 120.40 123.25 1rab s VAL 106 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 61.80 1rab s VAL 106 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1rab s VAL 106 CO 0.00 -0.04 0.00 0.18 0.00 0.00 0.00 175.10 175.24 1rab n LEU 107 N 5.17 0.00 -4.04 3.92 4.77 -1.26 -4.99 117.00 120.57 1rab n LEU 107 Ca -0.12 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.67 1rab n LEU 107 Cb 0.49 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.44 1rab n LEU 107 CO 0.38 0.00 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.31 1rab s VAL 108 N -2.02 0.77 0.03 4.08 1.01 -1.26 -4.75 120.40 118.26 1rab s VAL 108 Ca 0.00 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 1rab s VAL 108 Cb 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 36.38 35.65 1rab s VAL 108 CO 0.00 0.17 1.53 0.00 0.00 0.00 0.00 175.10 176.80 1rab h PRO 110 N 8.14 0.22 -6.25 0.00 0.11 -1.91 -3.41 132.00 128.90 1rab h PRO 110 Ca -0.40 -0.01 -0.55 0.00 0.11 0.00 0.00 66.00 65.14 1rab h PRO 110 Cb 1.19 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 1rab h PRO 110 CO 0.92 0.15 1.24 1.21 -0.21 0.00 0.00 178.00 181.31 1rab s ASN 111 N -5.82 5.83 0.58 -2.05 2.47 -1.26 -4.89 114.94 109.80 1rab s ASN 111 Ca -0.07 0.87 0.27 0.00 0.42 0.00 0.00 52.86 54.35 1rab s ASN 111 Cb 0.21 -2.53 1.68 0.00 -1.45 0.00 0.00 41.25 39.17 1rab s ASN 111 CO 0.77 -1.84 2.21 0.77 -3.72 0.00 0.00 177.10 175.29 1rab h SER 112 N 12.88 0.00 0.38 -4.21 4.64 -2.03 -1.71 113.55 123.50 1rab h SER 112 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1rab h SER 112 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1rab h SER 112 CO 1.10 0.00 -0.06 -3.20 -0.87 0.00 0.00 176.83 173.81 1rab n ASN 113 N -4.00 0.27 -4.76 4.97 5.15 -1.26 -4.87 115.26 110.77 1rab n ASN 113 Ca -0.02 -0.50 -0.40 0.00 -0.60 0.00 0.00 54.58 53.06 1rab n ASN 113 Cb 0.12 -0.14 0.02 0.00 -0.53 0.00 0.00 39.78 39.26 1rab n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rab h ILE 115 N 2.11 0.77 -0.55 0.00 6.09 -1.89 -3.17 117.51 120.87 1rab h ILE 115 Ca -0.51 -1.34 0.16 0.00 -1.37 0.00 0.00 64.86 61.80 1rab h ILE 115 Cb 1.27 1.84 -0.02 0.00 0.47 0.00 0.00 36.82 40.38 1rab h ILE 115 CO 0.60 0.31 0.51 0.77 -3.07 0.00 0.00 178.15 177.27 1rab h SER 116 N 0.00 0.00 -0.86 2.19 4.64 -1.93 -2.66 113.55 114.93 1rab h SER 116 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1rab h SER 116 Cb 0.81 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.86 1rab h SER 116 CO 0.04 0.00 0.50 0.45 -0.87 0.00 0.00 176.83 176.96 1rab h HIS 117 N 0.00 1.15 -0.37 4.77 3.86 -1.89 -3.22 115.15 119.45 1rab h HIS 117 Ca 0.26 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.46 1rab h HIS 117 Cb 1.28 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 29.37 1rab h HIS 117 CO 0.00 0.78 0.00 0.00 0.86 0.00 0.00 177.93 179.57 1rab n ALA 118 N -2.38 2.38 -2.50 2.45 0.00 -1.00 -5.03 120.51 114.43 1rab n ALA 118 Ca 0.09 -1.00 -0.24 0.00 0.00 0.00 0.00 53.44 52.29 1rab n ALA 118 Cb 0.07 -0.73 -0.11 0.00 0.00 0.00 0.00 19.45 18.68 1rab n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rab s GLU 119 N -1.28 1.71 -0.59 0.00 0.41 -1.22 -5.02 118.70 112.72 1rab s GLU 119 Ca 0.34 -1.89 -0.07 0.00 -0.41 0.00 0.00 54.97 52.94 1rab s GLU 119 Cb 0.19 -1.41 -0.17 0.00 -1.78 0.00 0.00 34.13 30.97 1rab s GLU 119 CO 0.27 0.05 3.00 -0.35 -0.49 0.00 0.00 175.26 177.74 1rab n PRO 120 N -0.72 2.35 -4.34 0.39 -0.04 -1.26 -4.86 135.00 126.51 1rab n PRO 120 Ca -0.05 -1.33 -0.23 0.00 -0.04 0.00 0.00 63.50 61.85 1rab n PRO 120 Cb 0.64 -2.25 -0.08 0.00 -0.04 0.00 0.00 33.50 31.77 1rab n PRO 120 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rab s VAL 121 N 1.80 3.06 -0.12 0.52 0.11 -1.26 -5.12 120.40 119.39 1rab s VAL 121 Ca 0.59 -2.05 0.02 0.00 -2.93 0.00 0.00 61.98 57.61 1rab s VAL 121 Cb 0.23 -2.70 -0.01 0.00 -1.53 0.00 0.00 36.38 32.37 1rab s VAL 121 CO -0.02 -0.35 -0.17 -0.44 -3.33 0.00 0.00 175.10 170.78 1rab s SER 122 N -3.64 3.66 0.35 3.54 0.01 -1.26 -5.08 113.70 111.28 1rab s SER 122 Ca 0.32 -0.41 -0.25 0.00 1.31 0.00 0.00 55.95 56.91 1rab s SER 122 Cb -0.05 -1.51 -0.13 0.00 0.21 0.00 0.00 66.02 64.54 1rab s SER 122 CO 0.19 0.17 0.75 -1.20 0.41 0.00 0.00 173.24 173.56 1rab n SER 123 N 3.48 0.06 -3.71 2.44 7.64 -1.26 -4.71 113.62 117.56 1rab n SER 123 Ca -0.18 1.04 -0.11 0.00 1.01 0.00 0.00 58.87 60.62 1rab n SER 123 Cb 0.53 -1.18 -0.12 0.00 -1.01 0.00 0.00 64.21 62.43 1rab n SER 123 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1rab s SER 124 N -0.81 -0.34 -0.01 6.43 0.01 -1.26 -0.40 113.70 117.32 1rab s SER 124 Ca 0.62 0.71 0.04 0.00 1.31 0.00 0.00 55.95 58.63 1rab s SER 124 Cb -0.67 0.62 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 1rab s SER 124 CO 0.58 -0.18 -0.14 -0.36 0.41 0.00 0.00 173.24 173.55 1rab s PHE 125 N 1.44 1.27 -0.06 2.43 0.40 -0.23 -1.72 117.98 121.51 1rab s PHE 125 Ca -0.09 -0.24 -0.14 0.00 -0.60 0.00 0.00 56.93 55.86 1rab s PHE 125 Cb -0.10 -0.82 -0.05 0.00 0.51 0.00 0.00 43.02 42.57 1rab s PHE 125 CO -0.11 -0.03 0.37 0.00 0.70 0.00 0.00 175.22 176.16 1rab s ALA 126 N -0.32 3.66 -0.19 5.36 0.00 -0.30 -1.07 121.76 128.90 1rab s ALA 126 Ca 0.05 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.62 1rab s ALA 126 Cb -0.06 -2.39 -0.05 0.00 0.00 0.00 0.00 23.12 20.62 1rab s ALA 126 CO -0.00 0.33 0.11 0.08 0.00 0.00 0.00 175.76 176.28 1rab s VAL 127 N -0.48 5.24 -0.04 0.00 1.01 -1.12 -0.94 120.40 124.07 1rab s VAL 127 Ca 0.22 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 1rab s VAL 127 Cb -0.15 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.88 1rab s VAL 127 CO 0.10 0.46 0.02 -0.60 0.00 0.00 0.00 175.10 175.08 1rab s ARG 128 N 0.27 0.25 -0.99 2.72 3.52 0.25 -4.94 118.95 120.03 1rab s ARG 128 Ca 0.07 0.18 -0.23 0.00 -0.13 0.00 0.00 55.73 55.61 1rab s ARG 128 Cb -0.11 -0.59 0.03 0.00 -1.56 0.00 0.00 34.95 32.72 1rab s ARG 128 CO -0.01 -0.23 1.52 0.21 -0.81 0.00 0.00 175.30 175.98 1rab s LYS 129 N 1.57 3.42 -1.08 5.12 2.36 -1.26 0.48 119.74 130.35 1rab s LYS 129 Ca -0.02 -0.96 -0.13 0.00 -2.55 0.00 0.00 55.97 52.30 1rab s LYS 129 Cb -0.13 -5.27 0.20 0.00 -1.05 0.00 0.00 37.83 31.58 1rab s LYS 129 CO -0.03 -2.38 1.20 0.50 1.55 0.00 0.00 175.35 176.19 1rab s ARG 130 N 5.31 3.97 0.00 4.03 6.06 0.38 -4.84 118.95 133.86 1rab s ARG 130 Ca 0.49 -2.60 0.00 0.00 -2.50 0.00 0.00 55.73 51.13 1rab s ARG 130 Cb -0.01 -4.81 0.00 0.00 0.06 0.00 0.00 34.95 30.18 1rab s ARG 130 CO -0.08 -1.56 0.00 0.00 -2.50 0.00 0.00 175.30 171.16 1rab n ALA 131 N 4.77 -0.06 0.00 6.12 0.00 -1.26 -0.53 120.51 129.55 1rab n ALA 131 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1rab n ALA 131 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1rab n ALA 131 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1rab n ASN 132 N 0.03 0.00 -2.59 0.00 5.03 -1.26 -5.12 115.26 111.35 1rab n ASN 132 Ca 0.00 0.00 -0.13 0.00 0.87 0.00 0.00 54.58 55.32 1rab n ASN 132 Cb 0.00 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.72 1rab n ASN 132 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 1rab n ASP 133 N 0.00 0.39 -4.32 6.41 5.75 0.31 -5.14 116.55 119.95 1rab n ASP 133 Ca 0.00 -2.26 -0.34 0.00 -0.01 0.00 0.00 54.79 52.18 1rab n ASP 133 Cb 0.00 0.77 -0.14 0.00 -1.03 0.00 0.00 41.12 40.72 1rab n ASP 133 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1rab s ILE 134 N -2.60 3.01 -0.06 2.12 1.01 -1.26 0.14 121.20 123.56 1rab s ILE 134 Ca 0.17 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1rab s ILE 134 Cb 0.01 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 1rab s ILE 134 CO 0.12 0.49 0.29 0.00 0.00 0.00 0.00 174.94 175.85 1rab s ALA 135 N 0.83 3.76 -0.16 9.38 0.00 0.18 -0.48 121.76 135.27 1rab s ALA 135 Ca -0.04 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.54 1rab s ALA 135 Cb -0.15 -2.23 0.01 0.00 0.00 0.00 0.00 23.12 20.75 1rab s ALA 135 CO 0.00 0.49 -0.20 -0.51 0.00 0.00 0.00 175.76 175.54 1rab s LEU 136 N -0.89 2.14 -0.19 0.00 1.43 -0.23 -0.58 118.68 120.36 1rab s LEU 136 Ca 0.20 -0.62 -0.07 0.00 -1.03 0.00 0.00 54.13 52.60 1rab s LEU 136 Cb -0.15 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1rab s LEU 136 CO 0.09 0.04 0.06 -0.75 0.23 0.00 0.00 176.35 176.01 1rab s LYS 137 N 1.07 3.91 0.16 1.70 2.20 -0.12 -1.10 119.74 127.57 1rab s LYS 137 Ca -0.01 -0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 54.93 1rab s LYS 137 Cb -0.14 -3.20 -0.07 0.00 -1.51 0.00 0.00 37.83 32.90 1rab s LYS 137 CO -0.08 0.22 1.06 0.00 -0.36 0.00 0.00 175.35 176.19 1rab h LYS 139 N 5.21 0.74 0.00 0.00 3.64 -1.68 -0.44 116.57 124.04 1rab h LYS 139 Ca -0.44 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 1rab h LYS 139 Cb 1.21 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1rab h LYS 139 CO 0.72 0.49 -0.23 1.88 -2.27 0.00 0.00 179.45 180.04 1rab h TYR 140 N 0.76 0.00 0.00 1.91 0.05 -1.92 -3.40 116.97 114.37 1rab h TYR 140 Ca 0.36 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.14 1rab h TYR 140 Cb 0.41 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.15 1rab h TYR 140 CO -0.00 0.00 -0.50 0.00 -1.05 0.00 0.00 178.16 176.61 1rab n GLU 142 N -2.37 -0.97 -3.58 0.00 1.02 -0.17 -4.99 120.64 109.57 1rab n GLU 142 Ca 0.03 0.84 -0.38 0.00 -0.02 0.00 0.00 57.16 57.64 1rab n GLU 142 Cb 0.47 -4.97 -0.06 0.00 -0.02 0.00 0.00 31.44 26.86 1rab n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1rab s LYS 143 N -3.71 3.85 -0.24 3.49 1.02 -1.26 -4.75 119.74 118.14 1rab s LYS 143 Ca 0.00 0.28 -0.12 0.00 0.02 0.00 0.00 55.97 56.15 1rab s LYS 143 Cb 0.00 -3.23 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 1rab s LYS 143 CO 0.00 0.67 0.21 -2.00 -0.92 0.00 0.00 175.35 173.30 1rab s GLU 144 N -0.92 4.07 0.07 1.68 2.12 -1.26 -1.14 118.70 123.31 1rab s GLU 144 Ca 0.21 -0.19 0.02 0.00 0.36 0.00 0.00 54.97 55.37 1rab s GLU 144 Cb -0.15 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1rab s GLU 144 CO 0.11 -0.00 -0.07 -0.06 -0.54 0.00 0.00 175.26 174.69 1rab s PHE 145 N 1.24 0.76 0.45 5.30 0.40 -0.26 -4.94 117.98 120.93 1rab s PHE 145 Ca 0.09 -0.69 -0.25 0.00 -0.60 0.00 0.00 56.93 55.49 1rab s PHE 145 Cb -0.14 -0.45 -0.08 0.00 0.51 0.00 0.00 43.02 42.86 1rab s PHE 145 CO 0.06 -0.12 1.32 0.45 0.70 0.00 0.00 175.22 177.63 1rab s SER 146 N -2.24 6.02 0.58 1.36 0.15 -1.26 -1.07 113.70 117.24 1rab s SER 146 Ca -0.00 2.67 0.30 0.00 0.70 0.00 0.00 55.95 59.62 1rab s SER 146 Cb -0.03 -2.64 1.77 0.00 -1.71 0.00 0.00 66.02 63.41 1rab s SER 146 CO -0.02 -1.05 2.22 1.12 1.20 0.00 0.00 173.24 176.71 1rab h HIS 147 N 2.30 0.00 -0.47 3.44 2.07 -1.13 -0.63 115.15 120.73 1rab h HIS 147 Ca -0.50 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 56.93 1rab h HIS 147 Cb 1.26 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.22 1rab h HIS 147 CO 0.51 0.02 -0.05 -0.91 -3.07 0.00 0.00 177.93 174.44 1rab h ASN 148 N 0.00 0.85 0.33 3.10 -0.26 -1.88 -1.15 115.58 116.57 1rab h ASN 148 Ca -0.00 -0.33 -0.06 0.00 -0.56 0.00 0.00 56.30 55.34 1rab h ASN 148 Cb 0.07 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 1rab h ASN 148 CO 0.00 0.98 -0.30 0.58 -1.06 0.00 0.00 177.43 177.64 1rab h VAL 149 N 0.71 1.16 0.20 2.81 2.07 -1.47 -3.10 116.25 118.63 1rab h VAL 149 Ca 0.13 -1.04 -0.32 0.00 0.82 0.00 0.00 66.70 66.28 1rab h VAL 149 Cb 0.58 1.57 0.02 0.00 -1.52 0.00 0.00 31.29 31.94 1rab h VAL 149 CO 0.03 0.29 -1.51 0.58 0.02 0.00 0.00 177.57 176.99 1rab h VAL 150 N 0.00 1.23 0.00 2.57 2.07 -1.18 -3.08 116.25 117.86 1rab h VAL 150 Ca -0.00 -2.74 0.00 0.00 0.82 0.00 0.00 66.70 64.77 1rab h VAL 150 Cb 0.55 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1rab h VAL 150 CO 0.04 0.84 0.00 -0.07 0.02 0.00 0.00 177.57 178.40 1rab h LEU 151 N 0.11 0.00 0.00 2.57 3.38 -1.15 -3.20 115.31 117.02 1rab h LEU 151 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1rab h LEU 151 Cb 2.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.85 1rab h LEU 151 CO 0.22 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.75 1rab n ALA 152 N -1.97 0.00 0.00 1.53 0.00 -1.23 -5.10 120.51 113.73 1rab n ALA 152 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1rab n ALA 152 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 1rab n ALA 152 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79