#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxn s ARG 2 N 0.00 0.05 -0.20 0.03 3.52 -1.26 -4.90 118.95 116.19 1bxn s ARG 2 Ca 0.00 0.12 -0.29 0.00 -0.13 0.00 0.00 55.73 55.43 1bxn s ARG 2 Cb 0.00 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.42 1bxn s ARG 2 CO 0.00 -0.02 1.65 0.42 -0.81 0.00 0.00 175.30 176.55 1bxn s ILE 3 N 1.82 3.64 -0.54 4.11 1.09 -1.26 -4.87 121.20 125.19 1bxn s ILE 3 Ca -0.02 0.72 -0.01 0.00 -1.10 0.00 0.00 60.65 60.24 1bxn s ILE 3 Cb -0.01 -3.64 0.40 0.00 -1.06 0.00 0.00 42.46 38.14 1bxn s ILE 3 CO -0.15 -0.26 2.00 0.41 -0.10 0.00 0.00 174.94 176.84 1bxn n THR 4 N 6.40 3.31 -1.61 2.92 -1.04 -1.26 -4.76 114.28 118.23 1bxn n THR 4 Ca 0.19 -2.42 -0.32 0.00 -2.04 0.00 0.00 64.05 59.46 1bxn n THR 4 Cb 0.45 -1.13 -0.05 0.00 -1.82 0.00 0.00 70.33 67.78 1bxn n THR 4 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1bxn n GLN 5 N -0.58 3.46 0.00 -2.82 7.27 -1.26 -4.87 117.38 118.58 1bxn n GLN 5 Ca 0.53 -2.61 0.00 0.00 0.07 0.00 0.00 57.00 54.98 1bxn n GLN 5 Cb 0.75 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 30.97 1bxn n GLN 5 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1bxn n GLY 6 N 1.83 1.49 3.76 1.69 0.00 -1.26 -4.79 105.19 107.91 1bxn n GLY 6 Ca 0.58 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.66 1bxn n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bxn s THR 7 N -2.00 2.49 0.00 2.61 2.01 0.14 -2.36 115.64 118.53 1bxn s THR 7 Ca 0.00 0.36 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1bxn s THR 7 Cb 0.00 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.34 1bxn s THR 7 CO 0.00 -0.02 0.00 0.49 -0.69 0.00 0.00 174.62 174.40 1bxn n PHE 8 N -0.95 0.00 0.89 4.92 0.99 -1.26 -4.32 117.46 117.73 1bxn n PHE 8 Ca 0.10 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.63 1bxn n PHE 8 Cb 0.47 -0.84 0.44 0.00 -1.00 0.00 0.00 39.48 38.55 1bxn n PHE 8 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1bxn n SER 9 N 0.00 0.00 -0.97 4.37 7.64 -1.00 -1.38 113.62 122.28 1bxn n SER 9 Ca 0.00 -0.30 0.12 0.00 1.01 0.00 0.00 58.87 59.70 1bxn n SER 9 Cb 0.00 -0.10 0.17 0.00 -1.01 0.00 0.00 64.21 63.28 1bxn n SER 9 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1bxn n PHE 10 N -1.10 0.15 -4.07 1.43 3.01 -1.26 -4.87 117.46 110.76 1bxn n PHE 10 Ca 0.10 -0.08 -0.24 0.00 1.01 0.00 0.00 57.45 58.25 1bxn n PHE 10 Cb 0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.48 1bxn n PHE 10 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1bxn s LEU 11 N -1.84 3.19 0.81 4.37 1.43 -0.48 -5.11 118.68 121.05 1bxn s LEU 11 Ca 0.32 -0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 1bxn s LEU 11 Cb 0.21 -1.61 0.08 0.00 0.03 0.00 0.00 46.19 44.90 1bxn s LEU 11 CO 0.31 -0.44 1.14 -2.16 0.23 0.00 0.00 176.35 175.42 1bxn s PRO 12 N -3.89 1.80 0.15 1.29 0.04 -1.26 -4.88 135.00 128.25 1bxn s PRO 12 Ca 0.40 1.46 -0.34 0.00 0.04 0.00 0.00 61.00 62.56 1bxn s PRO 12 Cb 0.00 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.57 1bxn s PRO 12 CO 0.23 -2.03 1.34 0.39 0.04 0.00 0.00 177.00 176.96 1bxn n GLU 13 N -3.54 1.48 -2.01 4.56 -0.58 -1.26 -4.90 120.64 114.38 1bxn n GLU 13 Ca 0.11 0.53 -0.37 0.00 -0.42 0.00 0.00 57.16 57.01 1bxn n GLU 13 Cb 0.52 -2.15 0.02 0.00 -0.57 0.00 0.00 31.44 29.26 1bxn n GLU 13 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1bxn s LEU 14 N 0.55 3.89 0.25 -4.62 1.43 -1.26 -5.03 118.68 113.89 1bxn s LEU 14 Ca 0.77 2.52 -0.01 0.00 -1.03 0.00 0.00 54.13 56.38 1bxn s LEU 14 Cb -0.82 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.05 1bxn s LEU 14 CO 0.47 -1.31 0.45 0.42 0.23 0.00 0.00 176.35 176.62 1bxn s THR 15 N -1.45 5.15 0.56 5.49 -4.23 -1.26 -4.88 115.64 115.02 1bxn s THR 15 Ca 0.69 -0.32 0.30 0.00 -1.18 0.00 0.00 61.69 61.18 1bxn s THR 15 Cb -0.34 -3.76 0.45 0.00 1.34 0.00 0.00 72.50 70.19 1bxn s THR 15 CO 0.40 -0.28 1.88 0.44 -0.54 0.00 0.00 174.62 176.52 1bxn h ASP 16 N 1.68 0.00 -0.24 3.99 3.45 -1.98 0.44 116.42 123.76 1bxn h ASP 16 Ca -0.48 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 56.90 1bxn h ASP 16 Cb 1.20 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.96 1bxn h ASP 16 CO 0.66 0.00 -0.16 -0.33 -1.57 0.00 0.00 179.24 177.84 1bxn h GLU 17 N 0.00 0.53 -0.29 3.56 3.07 -1.99 -1.01 114.58 118.45 1bxn h GLU 17 Ca 0.35 -0.25 -0.08 0.00 -0.50 0.00 0.00 59.36 58.89 1bxn h GLU 17 Cb 1.55 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.45 1bxn h GLU 17 CO -0.00 0.82 -0.11 1.96 -1.40 0.00 0.00 179.01 180.27 1bxn h GLN 18 N 0.24 0.59 -0.36 2.33 4.20 -0.62 -2.75 115.11 118.74 1bxn h GLN 18 Ca 0.05 -0.25 0.04 0.00 0.06 0.00 0.00 58.65 58.55 1bxn h GLN 18 Cb 0.68 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1bxn h GLN 18 CO 0.04 0.81 0.13 0.82 -0.67 0.00 0.00 178.83 179.97 1bxn h ILE 19 N 0.34 0.91 -0.99 2.54 2.04 -0.79 -1.55 117.51 120.01 1bxn h ILE 19 Ca 0.07 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1bxn h ILE 19 Cb 0.62 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 1bxn h ILE 19 CO 0.04 0.05 0.64 0.71 0.00 0.00 0.00 178.15 179.59 1bxn h THR 20 N 0.29 1.09 -0.37 -0.27 1.35 -1.14 0.17 112.91 114.03 1bxn h THR 20 Ca 0.16 -0.40 0.01 0.00 -0.55 0.00 0.00 66.41 65.64 1bxn h THR 20 Cb 0.13 -0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 66.35 1bxn h THR 20 CO -0.16 0.21 0.22 0.11 -0.25 0.00 0.00 175.52 175.65 1bxn h LYS 21 N 1.16 0.43 -0.16 4.72 1.57 -1.00 1.00 116.57 124.29 1bxn h LYS 21 Ca 0.42 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.17 1bxn h LYS 21 Cb 0.15 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1bxn h LYS 21 CO -0.17 0.28 0.06 1.96 -0.57 0.00 0.00 179.45 181.02 1bxn h GLN 22 N 0.44 0.24 -0.88 3.15 1.08 -0.42 -1.14 115.11 117.58 1bxn h GLN 22 Ca 0.14 -0.04 0.13 0.00 -1.45 0.00 0.00 58.65 57.43 1bxn h GLN 22 Cb -0.00 -0.04 -0.09 0.00 -0.05 0.00 0.00 27.48 27.30 1bxn h GLN 22 CO -0.06 0.32 0.49 -0.07 -0.95 0.00 0.00 178.83 178.56 1bxn h LEU 23 N 0.10 0.65 -0.26 1.46 3.38 -0.30 0.92 115.31 121.26 1bxn h LEU 23 Ca 0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1bxn h LEU 23 Cb 0.17 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1bxn h LEU 23 CO -0.00 0.31 0.13 -0.33 0.09 0.00 0.00 178.44 178.64 1bxn h GLU 24 N 0.73 0.36 -0.46 1.13 5.08 -0.31 -0.49 114.58 120.63 1bxn h GLU 24 Ca 0.46 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.87 1bxn h GLU 24 Cb 0.58 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.67 1bxn h GLU 24 CO -0.32 0.33 -0.16 -0.92 -1.00 0.00 0.00 179.01 176.95 1bxn h TYR 25 N 0.29 -0.36 0.60 4.33 3.20 0.38 0.62 116.97 126.04 1bxn h TYR 25 Ca 0.09 0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 1bxn h TYR 25 Cb 0.08 0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.59 1bxn h TYR 25 CO -0.03 -0.24 -0.30 0.00 -1.64 0.00 0.00 178.16 175.95 1bxn h LEU 27 N -0.82 0.46 -1.07 0.00 3.38 -0.15 0.19 115.31 117.29 1bxn h LEU 27 Ca -0.08 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.81 1bxn h LEU 27 Cb 0.64 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1bxn h LEU 27 CO 0.13 0.27 -0.31 0.78 0.09 0.00 0.00 178.44 179.40 1bxn h ASN 28 N 0.51 0.28 0.60 -0.43 -0.26 0.55 -0.72 115.58 116.10 1bxn h ASN 28 Ca 0.31 -0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 1bxn h ASN 28 Cb 0.53 -0.08 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1bxn h ASN 28 CO -0.10 0.58 -0.15 0.00 -1.06 0.00 0.00 177.43 176.70 1bxn n GLN 29 N -4.11 0.31 -2.46 0.81 1.13 0.51 -4.93 117.38 108.64 1bxn n GLN 29 Ca -0.01 -0.09 -0.03 0.00 -1.94 0.00 0.00 57.00 54.92 1bxn n GLN 29 Cb 0.41 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.27 1bxn n GLN 29 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bxn n GLY 30 N 1.40 0.60 3.86 1.08 0.00 -0.28 -5.04 105.19 106.80 1bxn n GLY 30 Ca 0.10 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 1bxn n GLY 30 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bxn s TRP 31 N -2.75 3.64 0.11 1.61 0.51 -0.80 -4.61 118.94 116.64 1bxn s TRP 31 Ca 0.05 0.68 -0.30 0.00 -2.12 0.00 0.00 56.10 54.41 1bxn s TRP 31 Cb -0.02 -2.06 -0.06 0.00 -0.81 0.00 0.00 33.47 30.51 1bxn s TRP 31 CO 0.07 0.69 1.15 0.00 -0.51 0.00 0.00 176.95 178.35 1bxn s ALA 32 N -1.00 3.37 -0.12 0.98 0.00 -0.49 -4.41 121.76 120.10 1bxn s ALA 32 Ca 0.18 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 52.94 1bxn s ALA 32 Cb -0.14 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1bxn s ALA 32 CO 0.07 -0.33 -0.04 0.08 0.00 0.00 0.00 175.76 175.54 1bxn s VAL 33 N 0.50 3.94 0.13 0.00 1.01 -1.22 -0.33 120.40 124.42 1bxn s VAL 33 Ca 0.54 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 62.21 1bxn s VAL 33 Cb -0.29 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 1bxn s VAL 33 CO 0.32 0.55 -0.12 -0.83 0.00 0.00 0.00 175.10 175.01 1bxn s GLY 34 N -0.22 1.04 -0.05 4.51 0.00 0.19 -0.13 107.32 112.65 1bxn s GLY 34 Ca 0.04 -1.34 0.05 0.00 0.00 0.00 0.00 44.72 43.47 1bxn s GLY 34 CO 0.02 -1.41 -0.19 1.08 0.00 0.00 0.00 173.10 172.61 1bxn s LEU 35 N -2.68 2.47 0.06 0.66 1.43 -1.26 -0.78 118.68 118.58 1bxn s LEU 35 Ca 0.11 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1bxn s LEU 35 Cb -0.02 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.68 1bxn s LEU 35 CO 0.02 0.31 -0.04 -1.61 0.23 0.00 0.00 176.35 175.26 1bxn s GLU 36 N -0.53 0.66 -0.02 1.70 2.02 -0.52 -0.97 118.70 121.03 1bxn s GLU 36 Ca 0.07 -1.25 -0.23 0.00 0.02 0.00 0.00 54.97 53.58 1bxn s GLU 36 Cb -0.11 0.11 0.05 0.00 0.10 0.00 0.00 34.13 34.27 1bxn s GLU 36 CO 0.01 -0.09 0.51 1.52 0.02 0.00 0.00 175.26 177.23 1bxn s TYR 37 N -3.84 -0.43 0.09 1.61 -0.85 0.55 -1.06 117.35 113.42 1bxn s TYR 37 Ca 0.08 0.69 -0.26 0.00 -0.52 0.00 0.00 57.07 57.07 1bxn s TYR 37 Cb 0.07 0.27 0.08 0.00 0.38 0.00 0.00 41.96 42.77 1bxn s TYR 37 CO -0.09 -0.52 0.75 0.99 -1.52 0.00 0.00 175.55 175.16 1bxn s THR 38 N -1.40 0.00 -0.70 -3.49 2.01 -0.81 -0.82 115.64 110.43 1bxn s THR 38 Ca -0.11 -0.07 0.16 0.00 0.31 0.00 0.00 61.69 61.98 1bxn s THR 38 Cb -0.02 -1.09 -0.19 0.00 0.01 0.00 0.00 72.50 71.21 1bxn s THR 38 CO 0.06 0.00 0.66 -0.90 -0.69 0.00 0.00 174.62 173.76 1bxn n ASP 39 N -0.33 0.81 -4.16 3.53 5.75 -1.26 -1.08 116.55 119.81 1bxn n ASP 39 Ca -0.12 -0.80 -0.39 0.00 -0.01 0.00 0.00 54.79 53.47 1bxn n ASP 39 Cb 0.63 1.08 -0.06 0.00 -1.03 0.00 0.00 41.12 41.74 1bxn n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1bxn s ASP 40 N -2.69 5.94 -0.10 -1.12 3.68 -1.26 -4.92 116.67 116.21 1bxn s ASP 40 Ca 0.05 -3.17 -0.04 0.00 2.13 0.00 0.00 52.55 51.52 1bxn s ASP 40 Cb 0.12 -1.97 -0.12 0.00 -1.45 0.00 0.00 42.92 39.51 1bxn s ASP 40 CO 0.68 -0.34 2.99 -0.81 0.13 0.00 0.00 175.17 177.82 1bxn n PRO 41 N 3.13 1.82 -1.97 4.34 -0.04 -1.26 -4.88 135.00 136.15 1bxn n PRO 41 Ca 0.15 -1.04 -0.42 0.00 -0.04 0.00 0.00 63.50 62.15 1bxn n PRO 41 Cb 0.39 -1.77 -0.02 0.00 -0.04 0.00 0.00 33.50 32.06 1bxn n PRO 41 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1bxn s HIS 42 N 0.11 3.01 -0.21 0.54 2.46 -1.26 -4.84 115.29 115.10 1bxn s HIS 42 Ca 0.48 0.88 -0.34 0.00 0.47 0.00 0.00 55.06 56.54 1bxn s HIS 42 Cb 0.25 -3.87 -0.11 0.00 -0.13 0.00 0.00 32.58 28.71 1bxn s HIS 42 CO -0.04 -2.98 2.00 -2.30 -2.47 0.00 0.00 174.74 168.95 1bxn n PRO 43 N 2.85 1.69 -2.40 2.88 -0.02 -1.26 -0.72 135.00 138.01 1bxn n PRO 43 Ca 0.09 0.57 -0.04 0.00 -2.02 0.00 0.00 63.50 62.10 1bxn n PRO 43 Cb 0.39 -2.60 0.02 0.00 -0.02 0.00 0.00 33.50 31.30 1bxn n PRO 43 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1bxn n ARG 44 N 7.24 -1.54 -2.98 -0.52 5.12 -1.26 -4.96 116.66 117.75 1bxn n ARG 44 Ca 0.30 0.19 -0.39 0.00 -1.93 0.00 0.00 57.85 56.02 1bxn n ARG 44 Cb 0.27 -3.26 -0.01 0.00 -1.16 0.00 0.00 32.46 28.31 1bxn n ARG 44 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 1bxn n ASN 45 N -1.11 6.11 -4.66 0.55 4.05 0.10 -5.03 115.26 115.26 1bxn n ASN 45 Ca -0.05 -3.50 -0.32 0.00 0.45 0.00 0.00 54.58 51.16 1bxn n ASN 45 Cb 0.53 -1.11 0.16 0.00 1.23 0.00 0.00 39.78 40.59 1bxn n ASN 45 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 1bxn n THR 46 N 0.83 0.51 -1.84 -0.44 -1.04 -1.26 -4.20 114.28 106.85 1bxn n THR 46 Ca 0.32 -0.06 -0.03 0.00 -2.04 0.00 0.00 64.05 62.24 1bxn n THR 46 Cb 0.33 -1.03 0.01 0.00 -1.82 0.00 0.00 70.33 67.83 1bxn n THR 46 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1bxn n TYR 47 N -3.99 -0.49 -1.56 -1.42 4.01 -1.26 -5.06 117.16 107.40 1bxn n TYR 47 Ca 0.12 0.17 -0.29 0.00 -0.16 0.00 0.00 57.90 57.74 1bxn n TYR 47 Cb 0.52 -2.71 0.16 0.00 -0.31 0.00 0.00 39.34 37.00 1bxn n TYR 47 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1bxn s TRP 48 N -3.07 1.99 0.01 -0.72 0.52 -1.26 -4.98 118.94 111.43 1bxn s TRP 48 Ca 0.08 0.67 -0.29 0.00 0.02 0.00 0.00 56.10 56.58 1bxn s TRP 48 Cb -0.01 -3.56 -0.04 0.00 -1.15 0.00 0.00 33.47 28.71 1bxn s TRP 48 CO 0.14 -2.66 0.92 -1.21 0.02 0.00 0.00 176.95 174.16 1bxn s GLU 49 N -5.44 4.56 0.06 4.98 8.01 0.00 -4.79 118.70 126.07 1bxn s GLU 49 Ca 0.67 1.31 -0.31 0.00 0.01 0.00 0.00 54.97 56.66 1bxn s GLU 49 Cb -0.11 -3.44 -0.05 0.00 -4.31 0.00 0.00 34.13 26.21 1bxn s GLU 49 CO 0.53 0.03 1.18 -1.64 0.01 0.00 0.00 175.26 175.38 1bxn s MET 50 N 0.76 4.44 -0.90 1.61 -1.94 -1.26 -0.33 119.30 121.68 1bxn s MET 50 Ca 0.48 1.75 -0.08 0.00 -1.71 0.00 0.00 55.69 56.13 1bxn s MET 50 Cb -0.21 -3.35 0.23 0.00 2.01 0.00 0.00 34.83 33.51 1bxn s MET 50 CO 0.26 -0.24 0.83 0.12 -0.01 0.00 0.00 175.02 175.98 1bxn s PHE 51 N 1.04 3.89 0.06 -0.03 5.36 -0.15 -4.94 117.98 123.22 1bxn s PHE 51 Ca 0.58 -2.52 0.00 0.00 -0.96 0.00 0.00 56.93 54.03 1bxn s PHE 51 Cb -0.29 -3.62 0.00 0.00 -0.34 0.00 0.00 43.02 38.77 1bxn s PHE 51 CO 0.29 -0.91 0.00 0.41 -1.46 0.00 0.00 175.22 173.56 1bxn n GLY 52 N 3.18 -2.73 3.77 13.12 0.00 -1.26 -4.47 105.19 116.80 1bxn n GLY 52 Ca 0.17 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.47 1bxn n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxn s LEU 53 N -4.19 3.40 0.23 0.99 1.43 -1.26 -4.65 118.68 114.62 1bxn s LEU 53 Ca 0.00 2.04 -0.32 0.00 -1.03 0.00 0.00 54.13 54.82 1bxn s LEU 53 Cb 0.00 -4.56 -0.12 0.00 0.03 0.00 0.00 46.19 41.54 1bxn s LEU 53 CO 0.00 -1.67 1.64 -2.65 0.23 0.00 0.00 176.35 173.90 1bxn n PRO 54 N -2.39 2.61 -2.27 1.29 -0.02 -1.26 -4.86 135.00 128.10 1bxn n PRO 54 Ca 0.11 0.94 -0.34 0.00 -2.02 0.00 0.00 63.50 62.19 1bxn n PRO 54 Cb 0.52 -2.74 -0.04 0.00 -0.02 0.00 0.00 33.50 31.22 1bxn n PRO 54 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1bxn s MET 55 N 0.52 3.07 0.00 -0.52 -1.94 0.82 -4.84 119.30 116.41 1bxn s MET 55 Ca 0.72 -1.25 0.00 0.00 -1.71 0.00 0.00 55.69 53.45 1bxn s MET 55 Cb -0.54 -5.31 0.00 0.00 2.01 0.00 0.00 34.83 30.99 1bxn s MET 55 CO 0.39 -3.17 0.14 1.19 -0.01 0.00 0.00 175.02 173.57 1bxn n PHE 56 N 11.92 0.00 -1.98 -0.03 3.72 -1.26 -3.40 117.46 126.42 1bxn n PHE 56 Ca 0.44 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.47 1bxn n PHE 56 Cb 0.47 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.00 1bxn n PHE 56 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1bxn n ASP 57 N -0.14 7.42 -4.30 4.37 2.03 -1.26 -4.72 116.55 119.95 1bxn n ASP 57 Ca 0.00 -3.37 -0.46 0.00 0.52 0.00 0.00 54.79 51.49 1bxn n ASP 57 Cb 0.00 -1.25 -0.04 0.00 -0.72 0.00 0.00 41.12 39.12 1bxn n ASP 57 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1bxn s LEU 58 N -2.86 6.45 -0.12 -2.67 0.20 -1.26 -4.95 118.68 113.47 1bxn s LEU 58 Ca 0.52 -2.43 -0.04 0.00 0.69 0.00 0.00 54.13 52.88 1bxn s LEU 58 Cb 0.27 -2.18 -0.13 0.00 -0.43 0.00 0.00 46.19 43.73 1bxn s LEU 58 CO -0.18 -0.64 2.16 -2.11 -0.29 0.00 0.00 176.35 175.29 1bxn n ARG 59 N 4.32 1.20 -3.14 1.98 -4.01 -1.26 -4.50 116.66 111.25 1bxn n ARG 59 Ca 0.05 -0.66 0.04 0.00 -1.04 0.00 0.00 57.85 56.24 1bxn n ARG 59 Cb 0.44 -1.86 -0.00 0.00 -3.04 0.00 0.00 32.46 28.00 1bxn n ARG 59 CO 0.00 0.00 0.00 0.34 -3.04 0.00 0.00 177.63 174.93 1bxn s ASP 60 N 2.61 -1.21 0.43 2.89 2.15 -1.26 -5.01 116.67 117.26 1bxn s ASP 60 Ca 0.36 0.08 0.16 0.00 0.43 0.00 0.00 52.55 53.59 1bxn s ASP 60 Cb 0.16 1.74 1.07 0.00 -0.30 0.00 0.00 42.92 45.59 1bxn s ASP 60 CO -0.00 -0.21 1.90 0.00 -0.17 0.00 0.00 175.17 176.69 1bxn h ALA 61 N 7.63 2.15 -0.92 3.66 0.00 -1.92 -0.03 119.26 129.83 1bxn h ALA 61 Ca -0.03 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1bxn h ALA 61 Cb 1.19 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.87 1bxn h ALA 61 CO 0.06 -0.37 0.60 0.00 0.00 0.00 0.00 179.25 179.54 1bxn h ALA 62 N 1.64 1.41 -0.58 0.00 0.00 -1.95 -0.71 119.26 119.07 1bxn h ALA 62 Ca 0.39 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1bxn h ALA 62 Cb 0.94 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1bxn h ALA 62 CO -0.13 0.51 0.37 0.78 0.00 0.00 0.00 179.25 180.78 1bxn h GLY 63 N 1.17 0.82 0.79 0.00 0.00 -1.39 -0.90 103.07 103.56 1bxn h GLY 63 Ca 0.36 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1bxn h GLY 63 CO -0.11 0.26 0.02 -2.22 0.00 0.00 0.00 176.54 174.49 1bxn h ILE 64 N 0.73 1.22 -0.84 2.60 2.04 -1.39 -2.54 117.51 119.34 1bxn h ILE 64 Ca 0.22 -0.71 0.19 0.00 1.00 0.00 0.00 64.86 65.57 1bxn h ILE 64 Cb -0.03 1.47 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 1bxn h ILE 64 CO -0.08 0.21 0.56 0.25 0.00 0.00 0.00 178.15 179.10 1bxn h LEU 65 N -0.03 0.32 0.46 1.44 7.12 -0.73 -0.14 115.31 123.75 1bxn h LEU 65 Ca 0.04 0.03 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 1bxn h LEU 65 Cb 0.30 -0.03 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1bxn h LEU 65 CO 0.00 0.14 -0.22 -0.03 -0.13 0.00 0.00 178.44 178.20 1bxn h MET 66 N 0.33 -0.60 -0.70 1.25 4.05 -0.75 -2.30 114.93 116.22 1bxn h MET 66 Ca 0.42 0.04 0.10 0.00 -0.28 0.00 0.00 59.70 59.98 1bxn h MET 66 Cb 1.15 0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 32.04 1bxn h MET 66 CO -0.13 -0.36 0.46 0.93 0.23 0.00 0.00 176.91 178.04 1bxn h GLU 67 N -0.69 0.55 0.67 0.39 4.39 -0.90 -0.22 114.58 118.76 1bxn h GLU 67 Ca -0.06 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.57 1bxn h GLU 67 Cb 0.51 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1bxn h GLU 67 CO 0.10 0.36 -0.43 0.82 -1.16 0.00 0.00 179.01 178.71 1bxn h ILE 68 N 0.57 0.00 -0.95 3.13 2.04 -0.85 0.15 117.51 121.59 1bxn h ILE 68 Ca 0.32 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.28 1bxn h ILE 68 Cb 0.51 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.52 1bxn h ILE 68 CO -0.11 0.00 0.61 0.78 0.00 0.00 0.00 178.15 179.43 1bxn h ASN 69 N -1.03 0.89 -0.46 1.72 2.35 -0.86 0.11 115.58 118.30 1bxn h ASN 69 Ca -0.09 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.73 1bxn h ASN 69 Cb 0.83 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.01 1bxn h ASN 69 CO 0.08 0.51 0.23 -1.13 -1.65 0.00 0.00 177.43 175.48 1bxn h ASN 70 N 0.97 0.34 -0.33 5.81 -0.00 -0.72 -1.79 115.58 119.86 1bxn h ASN 70 Ca 0.45 0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.76 1bxn h ASN 70 Cb 0.40 -0.04 -0.02 0.00 -0.00 0.00 0.00 38.32 38.66 1bxn h ASN 70 CO -0.21 0.24 0.17 0.00 -0.00 0.00 0.00 177.43 177.64 1bxn h ALA 71 N 1.24 0.43 -0.75 1.57 0.00 0.17 -1.81 119.26 120.11 1bxn h ALA 71 Ca 0.20 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1bxn h ALA 71 Cb 0.10 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1bxn h ALA 71 CO -0.13 -0.03 0.50 0.00 0.00 0.00 0.00 179.25 179.59 1bxn h ARG 72 N 0.41 0.54 -0.08 0.00 3.08 -0.62 0.39 114.38 118.10 1bxn h ARG 72 Ca 0.12 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1bxn h ARG 72 Cb 0.09 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.02 1bxn h ARG 72 CO -0.02 0.36 -0.10 -0.91 -1.07 0.00 0.00 179.97 178.23 1bxn h ASN 73 N 0.55 0.22 -0.56 7.04 2.35 -0.72 -2.21 115.58 122.25 1bxn h ASN 73 Ca 0.36 -0.51 -0.09 0.00 -0.55 0.00 0.00 56.30 55.50 1bxn h ASN 73 Cb 0.64 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.93 1bxn h ASN 73 CO -0.13 0.69 -0.01 0.74 -1.65 0.00 0.00 177.43 177.07 1bxn h THR 74 N -0.25 1.27 -2.76 2.81 2.02 -0.50 -3.36 112.91 112.14 1bxn h THR 74 Ca 0.01 -1.14 -0.61 0.00 0.77 0.00 0.00 66.41 65.44 1bxn h THR 74 Cb 0.64 0.88 -0.41 0.00 -1.74 0.00 0.00 68.15 67.52 1bxn h THR 74 CO 0.02 0.41 -0.70 0.49 0.37 0.00 0.00 175.52 176.11 1bxn n PHE 75 N -4.23 2.10 -0.01 3.16 3.01 0.13 -4.94 117.46 116.67 1bxn n PHE 75 Ca 0.02 -4.01 -0.13 0.00 1.01 0.00 0.00 57.45 54.34 1bxn n PHE 75 Cb 0.34 -0.39 -0.10 0.00 -0.01 0.00 0.00 39.48 39.33 1bxn n PHE 75 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1bxn h PRO 76 N 5.25 -0.03 -2.41 -1.08 0.11 -1.55 -3.31 132.00 128.98 1bxn h PRO 76 Ca 0.18 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.83 1bxn h PRO 76 Cb 0.79 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 31.84 1bxn h PRO 76 CO 0.63 0.52 1.49 0.09 -0.21 0.00 0.00 178.00 180.52 1bxn n ASN 77 N -4.84 6.95 -3.86 -2.05 4.13 -1.26 -4.61 115.26 109.71 1bxn n ASN 77 Ca -0.09 -2.70 -0.09 0.00 1.68 0.00 0.00 54.58 53.38 1bxn n ASN 77 Cb 0.28 -1.43 -0.06 0.00 -1.54 0.00 0.00 39.78 37.02 1bxn n ASN 77 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1bxn s HIS 78 N 0.73 0.19 -0.09 3.10 3.76 -1.24 -4.85 115.29 116.89 1bxn s HIS 78 Ca 0.65 -0.57 -0.12 0.00 -0.15 0.00 0.00 55.06 54.87 1bxn s HIS 78 Cb 0.27 0.02 -0.05 0.00 1.11 0.00 0.00 32.58 33.93 1bxn s HIS 78 CO -0.06 -0.67 0.30 0.71 -0.85 0.00 0.00 174.74 174.16 1bxn s TYR 79 N -3.90 3.59 0.02 1.40 1.51 -0.24 -3.29 117.35 116.44 1bxn s TYR 79 Ca 0.10 0.72 0.05 0.00 -1.01 0.00 0.00 57.07 56.93 1bxn s TYR 79 Cb 0.03 -2.22 -0.02 0.00 -0.11 0.00 0.00 41.96 39.64 1bxn s TYR 79 CO -0.06 0.51 -0.15 0.42 -1.11 0.00 0.00 175.55 175.17 1bxn s ILE 80 N -0.45 1.16 0.04 2.71 1.01 -0.48 -1.93 121.20 123.26 1bxn s ILE 80 Ca 0.19 -0.89 -0.09 0.00 0.00 0.00 0.00 60.65 59.86 1bxn s ILE 80 Cb -0.14 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.31 1bxn s ILE 80 CO 0.07 0.12 0.17 0.00 0.00 0.00 0.00 174.94 175.31 1bxn s ARG 81 N -0.88 0.67 -0.15 2.79 1.70 -0.22 -1.24 118.95 121.61 1bxn s ARG 81 Ca 0.03 -0.66 -0.06 0.00 -0.47 0.00 0.00 55.73 54.57 1bxn s ARG 81 Cb -0.07 0.27 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 1bxn s ARG 81 CO 0.01 -0.19 0.06 0.08 -1.08 0.00 0.00 175.30 174.17 1bxn s VAL 82 N -2.58 4.75 -0.02 4.99 1.01 -0.98 -1.44 120.40 126.13 1bxn s VAL 82 Ca -0.05 -0.06 0.06 0.00 0.00 0.00 0.00 61.98 61.93 1bxn s VAL 82 Cb -0.01 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1bxn s VAL 82 CO -0.04 0.51 -0.20 0.42 0.00 0.00 0.00 175.10 175.79 1bxn s THR 83 N -0.08 1.61 -0.16 3.92 -4.23 0.04 -2.75 115.64 113.98 1bxn s THR 83 Ca 0.06 -0.87 -0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1bxn s THR 83 Cb -0.12 -1.34 -0.00 0.00 1.34 0.00 0.00 72.50 72.38 1bxn s THR 83 CO 0.01 0.46 -0.14 0.00 -0.54 0.00 0.00 174.62 174.41 1bxn s ALA 84 N -0.45 2.53 -0.11 3.99 0.00 -0.62 -0.64 121.76 126.46 1bxn s ALA 84 Ca 0.07 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 1bxn s ALA 84 Cb -0.08 -1.28 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 1bxn s ALA 84 CO -0.01 -0.09 0.01 -0.06 0.00 0.00 0.00 175.76 175.61 1bxn s PHE 85 N 0.91 3.17 -0.46 0.00 0.08 0.55 -0.58 117.98 121.64 1bxn s PHE 85 Ca -0.03 0.10 -0.18 0.00 0.12 0.00 0.00 56.93 56.94 1bxn s PHE 85 Cb -0.15 -1.87 0.05 0.00 -0.57 0.00 0.00 43.02 40.48 1bxn s PHE 85 CO -0.01 0.34 0.50 0.34 -0.10 0.00 0.00 175.22 176.29 1bxn s ASP 86 N -0.48 6.20 -1.05 1.36 -1.08 -0.32 -1.39 116.67 119.90 1bxn s ASP 86 Ca 0.09 -0.90 -0.19 0.00 -0.52 0.00 0.00 52.55 51.03 1bxn s ASP 86 Cb -0.12 -2.24 -0.08 0.00 -1.46 0.00 0.00 42.92 39.02 1bxn s ASP 86 CO 0.02 -0.71 2.06 -1.20 0.52 0.00 0.00 175.17 175.85 1bxn n SER 87 N 5.74 3.12 0.00 -0.34 7.64 -1.26 -1.35 113.62 127.16 1bxn n SER 87 Ca -0.08 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1bxn n SER 87 Cb 0.46 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 1bxn n SER 87 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1bxn n THR 88 N 5.61 0.00 -0.65 0.44 -2.24 -1.26 -4.89 114.28 111.28 1bxn n THR 88 Ca 0.51 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.29 1bxn n THR 88 Cb 0.39 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 1bxn n THR 88 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1bxn n HIS 89 N -0.63 0.00 -2.95 4.78 8.25 -1.19 -5.08 115.22 118.39 1bxn n HIS 89 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 1bxn n HIS 89 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.13 1bxn n HIS 89 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 1bxn n THR 90 N 0.00 -9.78 -3.97 1.59 -1.04 -0.46 -5.07 114.28 95.56 1bxn n THR 90 Ca 0.00 0.90 -0.08 0.00 -2.04 0.00 0.00 64.05 62.83 1bxn n THR 90 Cb 0.11 -6.49 -0.08 0.00 -1.82 0.00 0.00 70.33 62.05 1bxn n THR 90 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1bxn s VAL 91 N -2.21 0.16 0.11 12.58 -7.23 -1.24 -4.95 120.40 117.62 1bxn s VAL 91 Ca 0.22 -1.47 -0.22 0.00 -1.81 0.00 0.00 61.98 58.71 1bxn s VAL 91 Cb -0.05 -1.51 -0.07 0.00 0.56 0.00 0.00 36.38 35.31 1bxn s VAL 91 CO 0.76 -0.71 0.66 -1.61 -0.31 0.00 0.00 175.10 173.89 1bxn s GLU 92 N -3.91 4.37 -0.07 4.82 8.01 -1.26 -1.18 118.70 129.48 1bxn s GLU 92 Ca 0.08 0.92 0.05 0.00 0.01 0.00 0.00 54.97 56.04 1bxn s GLU 92 Cb 0.06 -3.25 -0.08 0.00 -4.31 0.00 0.00 34.13 26.55 1bxn s GLU 92 CO -0.08 0.60 0.01 0.43 0.01 0.00 0.00 175.26 176.22 1bxn n SER 93 N 1.70 3.39 -3.79 -0.19 7.64 0.25 -4.94 113.62 117.69 1bxn n SER 93 Ca -0.08 -0.01 -0.13 0.00 1.01 0.00 0.00 58.87 59.66 1bxn n SER 93 Cb 0.50 0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 64.14 1bxn n SER 93 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1bxn s VAL 94 N -2.16 0.05 -0.27 0.44 1.01 -1.25 -5.00 120.40 113.22 1bxn s VAL 94 Ca -0.04 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 1bxn s VAL 94 Cb 0.02 -0.53 0.13 0.00 0.00 0.00 0.00 36.38 36.00 1bxn s VAL 94 CO 0.25 -0.24 0.57 -0.69 0.00 0.00 0.00 175.10 174.99 1bxn s VAL 95 N -1.08 -0.89 0.04 2.92 1.01 -1.26 -1.59 120.40 119.55 1bxn s VAL 95 Ca -0.11 0.04 0.03 0.00 0.00 0.00 0.00 61.98 61.93 1bxn s VAL 95 Cb -0.05 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 1bxn s VAL 95 CO 0.03 0.01 -0.09 0.00 0.00 0.00 0.00 175.10 175.05 1bxn s MET 96 N 2.80 0.60 0.23 2.72 0.23 -1.11 -0.68 119.30 124.09 1bxn s MET 96 Ca 0.00 -0.71 -0.12 0.00 -1.03 0.00 0.00 55.69 53.84 1bxn s MET 96 Cb -0.13 -0.46 -0.07 0.00 -1.53 0.00 0.00 34.83 32.64 1bxn s MET 96 CO -0.18 0.10 0.59 -1.12 -2.03 0.00 0.00 175.02 172.38 1bxn s SER 97 N -1.35 6.70 0.00 -1.18 0.01 -1.26 -2.32 113.70 114.30 1bxn s SER 97 Ca -0.06 1.02 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1bxn s SER 97 Cb -0.09 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.88 1bxn s SER 97 CO 0.01 -0.06 0.00 0.49 0.41 0.00 0.00 173.24 174.08 1bxn n PHE 98 N 0.00 0.00 -3.24 2.43 0.99 -0.37 -4.79 117.46 112.48 1bxn n PHE 98 Ca -0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.06 1bxn n PHE 98 Cb 0.52 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 38.95 1bxn n PHE 98 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 1bxn s ILE 99 N 0.00 4.89 0.05 4.37 -1.09 -1.25 -4.91 121.20 123.26 1bxn s ILE 99 Ca 0.00 1.21 0.09 0.00 -2.23 0.00 0.00 60.65 59.72 1bxn s ILE 99 Cb 0.00 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.94 1bxn s ILE 99 CO 0.00 0.45 -0.26 0.68 -1.23 0.00 0.00 174.94 174.58 1bxn s VAL 100 N -0.38 2.13 0.83 2.92 -7.23 -1.25 -1.38 120.40 116.04 1bxn s VAL 100 Ca 0.30 -1.40 -0.15 0.00 -1.81 0.00 0.00 61.98 58.92 1bxn s VAL 100 Cb -0.18 -1.83 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 1bxn s VAL 100 CO 0.17 0.35 0.38 -3.20 -0.31 0.00 0.00 175.10 172.49 1bxn n ASN 101 N 1.73 -1.90 -4.71 4.85 5.15 -1.21 -4.72 115.26 114.46 1bxn n ASN 101 Ca -0.17 0.46 -0.62 0.00 -0.60 0.00 0.00 54.58 53.66 1bxn n ASN 101 Cb 0.52 -1.18 -0.08 0.00 -0.53 0.00 0.00 39.78 38.51 1bxn n ASN 101 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1bxn n ARG 102 N -0.87 0.67 -2.77 1.20 1.74 -1.26 -2.24 116.66 113.12 1bxn n ARG 102 Ca 0.08 0.24 -0.01 0.00 -0.77 0.00 0.00 57.85 57.39 1bxn n ARG 102 Cb 0.52 -1.86 -0.00 0.00 -1.02 0.00 0.00 32.46 30.10 1bxn n ARG 102 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1bxn n PRO 103 N 4.96 -1.01 -2.84 5.56 -0.02 -1.26 -2.45 135.00 137.95 1bxn n PRO 103 Ca 0.29 -0.09 -0.03 0.00 -2.02 0.00 0.00 63.50 61.66 1bxn n PRO 103 Cb 0.05 0.05 0.00 0.00 -0.02 0.00 0.00 33.50 33.58 1bxn n PRO 103 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1bxn n ALA 104 N -1.12 -1.18 0.00 3.55 0.00 -0.95 -4.62 120.51 116.20 1bxn n ALA 104 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1bxn n ALA 104 Cb 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.37 1bxn n ALA 104 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1bxn n ASP 105 N 0.26 0.00 -3.19 0.00 10.43 -1.02 -2.87 116.55 120.16 1bxn n ASP 105 Ca -0.03 0.00 -0.05 0.00 2.57 0.00 0.00 54.79 57.28 1bxn n ASP 105 Cb 0.07 0.00 -0.03 0.00 1.84 0.00 0.00 41.12 43.00 1bxn n ASP 105 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1bxn s GLU 106 N -0.22 0.82 0.28 -1.24 2.02 -1.26 -4.98 118.70 114.12 1bxn s GLU 106 Ca 0.00 -0.60 0.22 0.00 0.02 0.00 0.00 54.97 54.61 1bxn s GLU 106 Cb 0.00 -0.19 1.06 0.00 0.10 0.00 0.00 34.13 35.10 1bxn s GLU 106 CO 0.00 -1.22 1.68 -2.30 0.02 0.00 0.00 175.26 173.44 1bxn n PRO 107 N 4.10 0.17 -2.16 0.39 -0.02 -1.14 -3.16 135.00 133.18 1bxn n PRO 107 Ca 0.13 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.71 1bxn n PRO 107 Cb 0.53 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1bxn n PRO 107 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1bxn n GLY 108 N -0.63 4.54 3.36 -1.23 0.00 -1.26 -4.87 105.19 105.10 1bxn n GLY 108 Ca 0.00 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 1bxn n GLY 108 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bxn n PHE 109 N 4.81 -1.78 -2.33 1.61 3.01 -1.19 -4.83 117.46 116.77 1bxn n PHE 109 Ca 0.44 0.39 -0.43 0.00 1.01 0.00 0.00 57.45 58.87 1bxn n PHE 109 Cb 0.38 -1.82 -0.02 0.00 -0.01 0.00 0.00 39.48 38.00 1bxn n PHE 109 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1bxn s ARG 110 N -1.87 4.23 -0.37 -1.08 1.70 0.00 -4.80 118.95 116.77 1bxn s ARG 110 Ca 0.62 1.78 -0.21 0.00 -0.47 0.00 0.00 55.73 57.45 1bxn s ARG 110 Cb -0.42 -3.78 0.01 0.00 -0.57 0.00 0.00 34.95 30.18 1bxn s ARG 110 CO 0.61 -0.71 0.69 -1.17 -1.08 0.00 0.00 175.30 173.64 1bxn s LEU 111 N 3.46 4.24 -0.00 -1.89 2.96 -1.26 -1.64 118.68 124.55 1bxn s LEU 111 Ca 0.59 0.14 -0.20 0.00 -0.22 0.00 0.00 54.13 54.44 1bxn s LEU 111 Cb -0.25 -2.85 -0.05 0.00 0.50 0.00 0.00 46.19 43.53 1bxn s LEU 111 CO 0.19 -0.67 0.57 -0.69 -1.32 0.00 0.00 176.35 174.43 1bxn s VAL 112 N 2.86 4.92 -0.44 1.68 1.01 0.76 -4.91 120.40 126.28 1bxn s VAL 112 Ca 0.26 1.19 0.04 0.00 0.00 0.00 0.00 61.98 63.47 1bxn s VAL 112 Cb -0.14 -3.90 0.12 0.00 0.00 0.00 0.00 36.38 32.46 1bxn s VAL 112 CO 0.16 0.44 0.17 -0.13 0.00 0.00 0.00 175.10 175.75 1bxn s ARG 113 N -0.30 1.69 -0.10 2.72 0.52 -1.26 -1.23 118.95 120.98 1bxn s ARG 113 Ca 0.30 -2.25 -0.28 0.00 -0.52 0.00 0.00 55.73 52.98 1bxn s ARG 113 Cb -0.18 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.12 1bxn s ARG 113 CO 0.16 -1.05 0.94 -1.14 0.02 0.00 0.00 175.30 174.24 1bxn s GLN 114 N 0.27 4.41 -0.64 3.54 0.74 0.01 -4.87 119.66 123.11 1bxn s GLN 114 Ca 0.15 1.27 -0.26 0.00 0.05 0.00 0.00 55.36 56.57 1bxn s GLN 114 Cb -0.23 -3.53 0.04 0.00 1.10 0.00 0.00 33.01 30.39 1bxn s GLN 114 CO -0.04 -0.26 1.13 -1.21 -0.55 0.00 0.00 175.29 174.36 1bxn s GLU 115 N 1.83 3.29 0.79 1.67 2.02 -1.26 -0.43 118.70 126.61 1bxn s GLU 115 Ca 0.46 -0.22 -0.09 0.00 0.02 0.00 0.00 54.97 55.13 1bxn s GLU 115 Cb -0.18 -4.12 0.11 0.00 0.10 0.00 0.00 34.13 30.04 1bxn s GLU 115 CO 0.18 -1.83 1.12 -1.21 0.02 0.00 0.00 175.26 173.54 1bxn s GLU 116 N 4.86 1.70 0.50 1.61 0.41 -0.84 -4.99 118.70 121.94 1bxn s GLU 116 Ca 0.34 -0.33 -0.23 0.00 -0.41 0.00 0.00 54.97 54.33 1bxn s GLU 116 Cb -0.10 -2.07 -0.06 0.00 -1.78 0.00 0.00 34.13 30.11 1bxn s GLU 116 CO 0.18 -1.62 1.36 -1.25 -0.49 0.00 0.00 175.26 173.43 1bxn s PRO 117 N -5.45 3.44 2.75 0.39 0.04 -1.26 -4.41 135.00 130.50 1bxn s PRO 117 Ca 0.65 2.25 0.00 0.00 0.04 0.00 0.00 61.00 63.93 1bxn s PRO 117 Cb -0.08 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1bxn s PRO 117 CO 0.47 -0.95 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1bxn n GLY 118 N 0.65 0.29 0.79 0.56 0.00 -1.26 -3.70 105.19 102.52 1bxn n GLY 118 Ca 0.08 -1.17 0.07 0.00 0.00 0.00 0.00 46.02 45.00 1bxn n GLY 118 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1bxn n ARG 119 N 6.36 2.94 -2.66 1.61 3.00 -1.26 -5.00 116.66 121.65 1bxn n ARG 119 Ca 0.00 -2.42 -0.37 0.00 -0.00 0.00 0.00 57.85 55.06 1bxn n ARG 119 Cb 0.00 -1.54 -0.05 0.00 0.00 0.00 0.00 32.46 30.87 1bxn n ARG 119 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 1bxn s THR 120 N -1.81 3.95 0.03 5.15 2.01 -1.24 -5.00 115.64 118.73 1bxn s THR 120 Ca 0.32 1.61 0.07 0.00 0.31 0.00 0.00 61.69 64.01 1bxn s THR 120 Cb 0.22 -3.89 -0.02 0.00 0.01 0.00 0.00 72.50 68.82 1bxn s THR 120 CO 0.13 0.12 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.21 1bxn s LEU 121 N -2.19 2.14 -0.41 4.42 1.43 -1.26 -1.99 118.68 120.81 1bxn s LEU 121 Ca 0.52 -0.50 -0.06 0.00 -1.03 0.00 0.00 54.13 53.06 1bxn s LEU 121 Cb -0.21 -1.05 0.10 0.00 0.03 0.00 0.00 46.19 45.06 1bxn s LEU 121 CO 0.27 0.20 0.23 -0.60 0.23 0.00 0.00 176.35 176.68 1bxn s ARG 122 N -1.03 2.33 0.52 1.70 6.06 0.43 -4.92 118.95 124.04 1bxn s ARG 122 Ca 0.08 -1.64 -0.11 0.00 -2.50 0.00 0.00 55.73 51.56 1bxn s ARG 122 Cb -0.09 -3.68 -0.05 0.00 0.06 0.00 0.00 34.95 31.19 1bxn s ARG 122 CO 0.01 -1.02 0.91 0.71 -2.50 0.00 0.00 175.30 173.42 1bxn s TYR 123 N 1.29 3.54 -0.24 5.12 1.51 -1.25 -0.81 117.35 126.50 1bxn s TYR 123 Ca 0.05 1.19 -0.03 0.00 -1.01 0.00 0.00 57.07 57.27 1bxn s TYR 123 Cb -0.23 -2.59 0.11 0.00 -0.11 0.00 0.00 41.96 39.14 1bxn s TYR 123 CO -0.01 -0.40 0.26 -1.12 -1.11 0.00 0.00 175.55 173.17 1bxn s SER 124 N -3.66 1.43 -0.09 2.29 0.01 -0.37 -4.94 113.70 108.38 1bxn s SER 124 Ca 0.54 -0.40 -0.25 0.00 1.31 0.00 0.00 55.95 57.15 1bxn s SER 124 Cb -0.10 0.49 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 1bxn s SER 124 CO 0.41 -0.35 0.77 -0.63 0.41 0.00 0.00 173.24 173.85 1bxn s ILE 125 N 2.36 4.98 -0.04 1.44 1.01 -1.26 -0.17 121.20 129.51 1bxn s ILE 125 Ca 0.09 1.57 -0.02 0.00 0.00 0.00 0.00 60.65 62.29 1bxn s ILE 125 Cb -0.15 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.25 1bxn s ILE 125 CO -0.21 0.18 0.09 -0.70 0.00 0.00 0.00 174.94 174.30 1bxn s GLU 126 N 1.18 0.04 0.80 2.79 2.12 -0.65 -4.98 118.70 120.01 1bxn s GLU 126 Ca 0.39 0.26 -0.12 0.00 0.36 0.00 0.00 54.97 55.87 1bxn s GLU 126 Cb -0.18 -0.17 0.08 0.00 0.26 0.00 0.00 34.13 34.12 1bxn s GLU 126 CO 0.18 -0.14 1.13 -1.12 -0.54 0.00 0.00 175.26 174.77 1bxn s SER 127 N 0.96 3.94 -0.00 -1.70 0.01 -1.26 -0.82 113.70 114.83 1bxn s SER 127 Ca -0.08 2.06 0.01 0.00 1.31 0.00 0.00 55.95 59.26 1bxn s SER 127 Cb -0.10 -2.55 0.03 0.00 0.21 0.00 0.00 66.02 63.60 1bxn s SER 127 CO -0.04 -2.42 0.95 -1.22 0.41 0.00 0.00 173.24 170.92 1bxn n TYR 128 N -3.53 0.04 -1.64 2.43 4.02 -1.26 -4.78 117.16 112.44 1bxn n TYR 128 Ca 0.11 -0.02 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 1bxn n TYR 128 Cb 0.52 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.82 1bxn n TYR 128 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85