#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b9m s ILE 4 N 0.00 5.00 -0.14 -0.18 1.01 0.16 -4.53 121.20 122.51 2b9m s ILE 4 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.67 2b9m s ILE 4 Cb 0.00 -3.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 2b9m s ILE 4 CO 0.00 0.58 -0.13 -0.60 0.00 0.00 0.00 174.94 174.79 2b9m s ARG 5 N -0.64 3.36 -0.09 2.79 3.52 0.78 -1.61 118.95 127.05 2b9m s ARG 5 Ca 0.12 -0.69 0.03 0.00 -0.13 0.00 0.00 55.73 55.06 2b9m s ARG 5 Cb -0.12 -2.67 0.01 0.00 -1.56 0.00 0.00 34.95 30.61 2b9m s ARG 5 CO 0.02 0.14 -0.19 0.96 -0.81 0.00 0.00 175.30 175.42 2b9m s ILE 6 N 0.55 1.73 -0.16 4.11 -4.36 -1.25 0.01 121.20 121.83 2b9m s ILE 6 Ca -0.08 -0.82 -0.01 0.00 -0.26 0.00 0.00 60.65 59.48 2b9m s ILE 6 Cb -0.16 -1.53 -0.01 0.00 1.25 0.00 0.00 42.46 42.02 2b9m s ILE 6 CO 0.04 0.49 -0.12 -0.75 0.24 0.00 0.00 174.94 174.83 2b9m s LYS 7 N 0.55 3.32 -0.28 0.37 2.20 0.30 -4.26 119.74 121.94 2b9m s LYS 7 Ca -0.15 -0.70 0.01 0.00 -0.36 0.00 0.00 55.97 54.77 2b9m s LYS 7 Cb -0.17 -2.69 0.08 0.00 -1.51 0.00 0.00 37.83 33.53 2b9m s LYS 7 CO 0.05 0.07 -0.00 -0.51 -0.36 0.00 0.00 175.35 174.60 2b9m s LEU 8 N 0.72 3.09 0.17 5.43 1.43 0.34 -0.44 118.68 129.43 2b9m s LEU 8 Ca -0.06 -1.51 -0.13 0.00 -1.03 0.00 0.00 54.13 51.40 2b9m s LEU 8 Cb -0.15 -1.25 -0.07 0.00 0.03 0.00 0.00 46.19 44.74 2b9m s LEU 8 CO 0.02 -0.30 0.56 0.00 0.23 0.00 0.00 176.35 176.85 2b9m s ARG 9 N 1.30 3.95 -0.10 1.70 1.70 -1.24 -0.33 118.95 125.92 2b9m s ARG 9 Ca 0.01 0.46 -0.30 0.00 -0.47 0.00 0.00 55.73 55.43 2b9m s ARG 9 Cb -0.19 -2.87 0.11 0.00 -0.57 0.00 0.00 34.95 31.44 2b9m s ARG 9 CO -0.10 0.44 0.89 0.20 -1.08 0.00 0.00 175.30 175.65 2b9m s GLY 10 N -1.85 -0.38 0.00 3.88 0.00 0.46 -3.58 107.32 105.85 2b9m s GLY 10 Ca 0.40 1.67 0.00 0.00 0.00 0.00 0.00 44.72 46.79 2b9m s GLY 10 CO 0.19 0.89 0.00 0.69 0.00 0.00 0.00 173.10 174.88 2b9m n PHE 11 N 0.61 0.00 -1.67 1.90 0.99 -1.26 -0.22 117.46 117.81 2b9m n PHE 11 Ca -0.12 0.00 -0.51 0.00 -0.00 0.00 0.00 57.45 56.82 2b9m n PHE 11 Cb 0.58 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 39.01 2b9m n PHE 11 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 2b9m n ASP 12 N -0.11 2.69 0.09 4.37 4.64 -1.26 -4.52 116.55 122.45 2b9m n ASP 12 Ca 0.00 1.06 0.10 0.00 -1.38 0.00 0.00 54.79 54.57 2b9m n ASP 12 Cb 0.00 -1.29 0.43 0.00 -1.04 0.00 0.00 41.12 39.22 2b9m n ASP 12 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2b9m n HIS 13 N 4.63 0.54 0.10 -0.67 1.44 -1.26 -3.07 115.22 116.93 2b9m n HIS 13 Ca 0.21 0.21 -0.23 0.00 -2.01 0.00 0.00 57.72 55.90 2b9m n HIS 13 Cb 0.23 -0.84 -0.15 0.00 0.12 0.00 0.00 29.99 29.35 2b9m n HIS 13 CO 0.00 0.00 0.00 0.87 -2.81 0.00 0.00 176.34 174.40 2b9m h LYS 14 N 0.00 0.45 0.00 -1.40 1.57 -2.00 -3.23 116.57 111.96 2b9m h LYS 14 Ca 0.00 -0.76 -0.06 0.00 -1.87 0.00 0.00 60.65 57.96 2b9m h LYS 14 Cb 0.33 0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 2b9m h LYS 14 CO 0.00 1.36 -0.27 0.00 -0.57 0.00 0.00 179.45 179.97 2b9m h THR 15 N 0.12 0.61 -0.34 -0.16 1.03 -1.94 0.11 112.91 112.35 2b9m h THR 15 Ca -0.30 -1.31 -0.15 0.00 -0.01 0.00 0.00 66.41 64.64 2b9m h THR 15 Cb 2.12 1.88 -0.01 0.00 -1.07 0.00 0.00 68.15 71.08 2b9m h THR 15 CO 0.22 0.27 -0.39 -0.07 -0.01 0.00 0.00 175.52 175.54 2b9m h LEU 16 N 0.00 0.86 -0.50 0.00 -0.00 -1.69 0.20 115.31 114.18 2b9m h LEU 16 Ca -0.00 -0.39 -0.15 0.00 -0.00 0.00 0.00 57.88 57.34 2b9m h LEU 16 Cb 0.86 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.27 2b9m h LEU 16 CO 0.04 1.15 -0.39 0.44 -0.00 0.00 0.00 178.44 179.67 2b9m h ASP 17 N 0.66 0.86 -0.02 -0.43 3.32 -1.47 -0.12 116.42 119.23 2b9m h ASP 17 Ca 0.06 -0.39 -0.09 0.00 0.02 0.00 0.00 57.03 56.63 2b9m h ASP 17 Cb 0.95 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.24 2b9m h ASP 17 CO 0.09 1.14 -0.25 0.00 -1.72 0.00 0.00 179.24 178.50 2b9m h ALA 18 N 0.90 1.14 0.04 3.45 0.00 -0.66 -1.99 119.26 122.13 2b9m h ALA 18 Ca 0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2b9m h ALA 18 Cb 0.95 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2b9m h ALA 18 CO 0.09 0.54 -0.02 1.03 0.00 0.00 0.00 179.25 180.89 2b9m h SER 19 N 0.39 -0.05 -0.54 0.00 0.87 -0.91 -3.22 113.55 110.08 2b9m h SER 19 Ca 0.06 -0.32 0.05 0.00 -1.23 0.00 0.00 61.79 60.34 2b9m h SER 19 Cb 0.65 0.01 -0.05 0.00 -0.44 0.00 0.00 62.40 62.58 2b9m h SER 19 CO 0.05 0.60 0.28 0.00 -0.53 0.00 0.00 176.83 177.23 2b9m h ALA 20 N -0.65 0.70 -0.06 6.23 0.00 -1.09 -1.93 119.26 122.46 2b9m h ALA 20 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 2b9m h ALA 20 Cb 0.37 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2b9m h ALA 20 CO 0.01 -0.06 -0.22 0.37 0.00 0.00 0.00 179.25 179.35 2b9m h GLN 21 N 0.54 0.09 -0.61 0.00 4.15 -1.54 0.17 115.11 117.91 2b9m h GLN 21 Ca 0.24 -0.02 -0.09 0.00 0.77 0.00 0.00 58.65 59.55 2b9m h GLN 21 Cb 0.14 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 2b9m h GLN 21 CO -0.16 0.31 0.04 0.87 -1.93 0.00 0.00 178.83 177.96 2b9m h LYS 22 N 0.09 1.03 -0.33 1.69 1.79 -1.38 -0.17 116.57 119.31 2b9m h LYS 22 Ca 0.02 -0.30 -0.14 0.00 -2.18 0.00 0.00 60.65 58.04 2b9m h LYS 22 Cb 0.44 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.97 2b9m h LYS 22 CO 0.03 0.99 -0.36 0.82 -1.08 0.00 0.00 179.45 179.85 2b9m h ILE 23 N 0.96 1.28 -0.58 1.86 5.03 -0.84 -2.39 117.51 122.83 2b9m h ILE 23 Ca 0.18 -1.53 -0.08 0.00 -0.12 0.00 0.00 64.86 63.31 2b9m h ILE 23 Cb 0.50 1.42 -0.02 0.00 -3.03 0.00 0.00 36.82 35.69 2b9m h ILE 23 CO 0.02 0.50 0.05 0.58 -0.68 0.00 0.00 178.15 178.62 2b9m h VAL 24 N 0.63 1.26 0.00 1.67 2.07 -0.37 -3.17 116.25 118.33 2b9m h VAL 24 Ca 0.06 -1.06 -0.26 0.00 0.82 0.00 0.00 66.70 66.25 2b9m h VAL 24 Cb 0.91 0.80 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 2b9m h VAL 24 CO 0.08 0.39 -2.26 -0.62 0.02 0.00 0.00 177.57 175.18 2b9m n GLU 25 N -4.27 0.68 0.11 1.57 1.02 -0.10 -3.97 120.64 115.69 2b9m n GLU 25 Ca 0.03 -0.06 -0.23 0.00 -0.02 0.00 0.00 57.16 56.88 2b9m n GLU 25 Cb 0.31 -1.53 -0.14 0.00 -0.02 0.00 0.00 31.44 30.06 2b9m n GLU 25 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2b9m h ALA 26 N 1.30 -0.06 0.00 0.62 0.00 -1.57 -3.25 119.26 116.29 2b9m h ALA 26 Ca -0.38 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 53.72 2b9m h ALA 26 Cb 1.88 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.80 2b9m h ALA 26 CO 0.02 0.70 0.00 0.00 0.00 0.00 0.00 179.25 179.98 2b9m n ALA 27 N -2.69 2.02 0.74 0.00 0.00 -1.20 -3.25 120.51 116.13 2b9m n ALA 27 Ca -0.15 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.27 2b9m n ALA 27 Cb 1.04 -1.35 0.36 0.00 0.00 0.00 0.00 19.45 19.49 2b9m n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2b9m n ARG 28 N -1.45 0.36 -1.14 0.00 1.74 -1.23 -2.52 116.66 112.43 2b9m n ARG 28 Ca 0.06 0.02 -0.05 0.00 -0.77 0.00 0.00 57.85 57.11 2b9m n ARG 28 Cb 0.23 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.31 2b9m n ARG 28 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2b9m n ARG 29 N -1.03 2.32 0.09 5.56 1.74 -1.20 -4.85 116.66 119.29 2b9m n ARG 29 Ca 0.09 -3.61 0.00 0.00 -0.77 0.00 0.00 57.85 53.55 2b9m n ARG 29 Cb 0.05 -1.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.64 2b9m n ARG 29 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2b9m n SER 30 N -0.95 -1.37 0.00 0.55 3.41 -1.05 -4.95 113.62 109.26 2b9m n SER 30 Ca 0.28 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 2b9m n SER 30 Cb 0.80 1.53 0.00 0.00 -0.26 0.00 0.00 64.21 66.28 2b9m n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2b9m n GLY 31 N -0.87 0.72 0.00 5.00 0.00 -1.14 -4.70 105.19 104.20 2b9m n GLY 31 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2b9m n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b9m n ALA 32 N -3.00 0.00 -2.12 4.61 0.00 -1.01 -4.97 120.51 114.03 2b9m n ALA 32 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2b9m n ALA 32 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2b9m n ALA 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2b9m n GLN 33 N 0.00 0.00 -0.97 0.00 6.02 -1.26 -4.82 117.38 116.36 2b9m n GLN 33 Ca 0.00 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 56.03 2b9m n GLN 33 Cb 0.00 -0.05 0.00 0.00 1.02 0.00 0.00 30.24 31.21 2b9m n GLN 33 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2b9m n VAL 34 N 0.12 -3.58 1.95 5.09 0.31 -1.26 -4.72 118.33 116.23 2b9m n VAL 34 Ca -0.04 1.45 0.01 0.00 -0.01 0.00 0.00 64.34 65.74 2b9m n VAL 34 Cb 0.75 -2.00 0.02 0.00 -0.91 0.00 0.00 33.84 31.70 2b9m n VAL 34 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2b9m n SER 35 N -0.97 0.09 -0.45 4.52 2.88 -1.05 -5.01 113.62 113.63 2b9m n SER 35 Ca 0.00 -1.98 0.06 0.00 -1.33 0.00 0.00 58.87 55.61 2b9m n SER 35 Cb 0.01 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.43 2b9m n SER 35 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2b9m n GLY 36 N 0.53 -2.28 3.60 0.46 0.00 -1.26 -4.71 105.19 101.53 2b9m n GLY 36 Ca 0.01 -1.37 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 2b9m n GLY 36 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2b9m s PRO 37 N -2.56 3.57 -0.79 1.61 0.04 -1.26 -4.03 135.00 131.58 2b9m s PRO 37 Ca 0.00 0.86 0.01 0.00 0.04 0.00 0.00 61.00 61.91 2b9m s PRO 37 Cb 0.00 -4.02 0.19 0.00 0.04 0.00 0.00 34.50 30.71 2b9m s PRO 37 CO 0.00 -1.58 0.62 0.96 0.04 0.00 0.00 177.00 177.04 2b9m s ILE 38 N 5.38 3.66 0.15 0.56 -4.36 -1.26 -4.88 121.20 120.45 2b9m s ILE 38 Ca 0.59 -3.95 -0.28 0.00 -0.26 0.00 0.00 60.65 56.75 2b9m s ILE 38 Cb -0.13 -3.33 -0.02 0.00 1.25 0.00 0.00 42.46 40.23 2b9m s ILE 38 CO 0.32 -1.03 1.57 1.55 0.24 0.00 0.00 174.94 177.59 2b9m h PRO 39 N 5.85 -0.34 -0.69 0.37 0.13 -1.93 -2.94 132.00 132.46 2b9m h PRO 39 Ca 0.13 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2b9m h PRO 39 Cb 0.80 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.01 2b9m h PRO 39 CO 0.78 -0.23 -0.18 1.28 -0.23 0.00 0.00 178.00 179.43 2b9m n LEU 40 N -5.41 -0.36 -4.49 1.56 4.77 -1.26 -3.12 117.00 108.68 2b9m n LEU 40 Ca -0.01 0.53 -0.49 0.00 -0.03 0.00 0.00 56.01 56.01 2b9m n LEU 40 Cb 0.35 0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 2b9m n LEU 40 CO 0.04 -0.14 0.34 -0.81 -1.33 0.00 0.00 177.39 175.50 2b9m n PRO 41 N -1.66 0.56 -3.18 3.23 -0.04 -1.26 -4.34 135.00 128.30 2b9m n PRO 41 Ca 0.00 0.20 -0.39 0.00 -0.04 0.00 0.00 63.50 63.27 2b9m n PRO 41 Cb 0.08 -1.44 -0.06 0.00 -0.04 0.00 0.00 33.50 32.04 2b9m n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2b9m s THR 42 N -0.73 5.10 -0.17 0.52 2.01 -1.26 -4.64 115.64 116.47 2b9m s THR 42 Ca 0.68 1.14 -0.08 0.00 0.31 0.00 0.00 61.69 63.75 2b9m s THR 42 Cb -0.90 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 67.66 2b9m s THR 42 CO 0.56 0.23 0.09 -0.13 -0.69 0.00 0.00 174.62 174.68 2b9m s ARG 43 N 1.14 3.86 -0.07 4.92 0.52 -0.88 -4.95 118.95 123.49 2b9m s ARG 43 Ca 0.29 -0.28 0.05 0.00 -0.52 0.00 0.00 55.73 55.27 2b9m s ARG 43 Cb -0.16 -3.23 -0.01 0.00 0.52 0.00 0.00 34.95 32.07 2b9m s ARG 43 CO 0.12 0.41 -0.21 0.08 0.02 0.00 0.00 175.30 175.72 2b9m s VAL 44 N 0.01 2.41 0.12 3.52 1.01 -1.26 -0.25 120.40 125.96 2b9m s VAL 44 Ca 0.07 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.15 2b9m s VAL 44 Cb -0.12 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 2b9m s VAL 44 CO 0.00 0.57 0.15 -0.13 0.00 0.00 0.00 175.10 175.69 2b9m s ARG 45 N -0.20 3.04 0.01 2.72 1.81 0.28 -5.02 118.95 121.59 2b9m s ARG 45 Ca -0.02 -0.71 0.01 0.00 -1.72 0.00 0.00 55.73 53.29 2b9m s ARG 45 Cb -0.13 -2.77 -0.01 0.00 -0.45 0.00 0.00 34.95 31.59 2b9m s ARG 45 CO 0.03 0.53 -0.03 1.03 -0.68 0.00 0.00 175.30 176.19 2b9m s ARG 46 N -2.81 0.24 -0.07 3.54 1.81 -1.26 -2.76 118.95 117.63 2b9m s ARG 46 Ca 0.31 -0.26 -0.03 0.00 -1.72 0.00 0.00 55.73 54.03 2b9m s ARG 46 Cb -0.11 -0.12 0.04 0.00 -0.45 0.00 0.00 34.95 34.31 2b9m s ARG 46 CO 0.24 0.03 0.17 -0.59 -0.68 0.00 0.00 175.30 174.47 2b9m s PHE 47 N -0.49 -0.20 -0.30 -0.53 -0.12 -1.02 -5.05 117.98 110.27 2b9m s PHE 47 Ca -0.04 0.55 -0.04 0.00 -0.05 0.00 0.00 56.93 57.36 2b9m s PHE 47 Cb -0.04 -0.05 0.03 0.00 -0.63 0.00 0.00 43.02 42.34 2b9m s PHE 47 CO -0.00 -0.18 0.03 0.99 -0.05 0.00 0.00 175.22 176.01 2b9m s THR 48 N 1.17 3.34 0.15 -4.49 2.01 -1.26 -1.91 115.64 114.65 2b9m s THR 48 Ca -0.09 -1.12 0.07 0.00 0.31 0.00 0.00 61.69 60.86 2b9m s THR 48 Cb -0.11 -2.83 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 2b9m s THR 48 CO -0.06 -0.03 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.12 2b9m s VAL 49 N 1.35 3.65 -0.22 3.82 1.01 -1.23 -5.01 120.40 123.78 2b9m s VAL 49 Ca -0.02 -1.37 -0.26 0.00 0.00 0.00 0.00 61.98 60.33 2b9m s VAL 49 Cb -0.19 -2.81 -0.00 0.00 0.00 0.00 0.00 36.38 33.39 2b9m s VAL 49 CO -0.00 -0.05 0.90 -0.63 0.00 0.00 0.00 175.10 175.32 2b9m s ILE 50 N -1.60 4.80 0.96 2.22 1.01 -1.26 -3.74 121.20 123.59 2b9m s ILE 50 Ca 0.26 1.74 -0.11 0.00 0.00 0.00 0.00 60.65 62.54 2b9m s ILE 50 Cb -0.10 -4.19 0.17 0.00 0.01 0.00 0.00 42.46 38.35 2b9m s ILE 50 CO 0.17 -0.08 1.10 -0.13 0.00 0.00 0.00 174.94 176.00 2b9m s ARG 51 N 2.75 0.68 -0.26 2.79 0.52 -1.26 -4.50 118.95 119.67 2b9m s ARG 51 Ca 0.39 1.15 -0.23 0.00 -0.52 0.00 0.00 55.73 56.53 2b9m s ARG 51 Cb -0.16 -1.72 0.03 0.00 0.52 0.00 0.00 34.95 33.63 2b9m s ARG 51 CO 0.09 -2.73 0.38 0.41 0.02 0.00 0.00 175.30 173.46 2b9m n GLY 52 N -0.10 0.11 3.48 -3.53 0.00 -1.26 -4.65 105.19 99.25 2b9m n GLY 52 Ca 0.08 0.66 -0.55 0.00 0.00 0.00 0.00 46.02 46.21 2b9m n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2b9m n PRO 53 N 0.11 0.12 -0.18 1.61 -0.04 -1.26 -4.74 135.00 130.62 2b9m n PRO 53 Ca -0.05 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2b9m n PRO 53 Cb 0.46 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2b9m n PRO 53 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2b9m n PHE 54 N 1.10 0.00 -3.48 0.54 7.35 -1.26 -5.00 117.46 116.72 2b9m n PHE 54 Ca 0.19 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.69 2b9m n PHE 54 Cb 0.14 -0.43 0.01 0.00 0.35 0.00 0.00 39.48 39.55 2b9m n PHE 54 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 2b9m n LYS 55 N 2.36 -1.62 -3.69 -4.13 2.85 -1.26 -5.05 118.16 107.62 2b9m n LYS 55 Ca 0.00 1.17 -0.12 0.00 -1.05 0.00 0.00 58.31 58.31 2b9m n LYS 55 Cb 0.00 -3.46 -0.13 0.00 -0.65 0.00 0.00 35.03 30.80 2b9m n LYS 55 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2b9m s HIS 56 N -2.72 -0.45 -1.11 5.58 3.76 -1.26 -5.01 115.29 114.08 2b9m s HIS 56 Ca 0.08 1.00 0.21 0.00 -0.15 0.00 0.00 55.06 56.20 2b9m s HIS 56 Cb -0.01 0.06 -0.21 0.00 1.11 0.00 0.00 32.58 33.53 2b9m s HIS 56 CO 0.84 -0.32 0.92 1.17 -0.85 0.00 0.00 174.74 176.50 2b9m n LYS 57 N 4.84 0.15 0.00 1.40 4.81 -1.26 -4.82 118.16 123.28 2b9m n LYS 57 Ca -0.15 -0.11 0.00 0.00 -0.87 0.00 0.00 58.31 57.18 2b9m n LYS 57 Cb 0.51 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 34.07 2b9m n LYS 57 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2b9m n ASP 58 N -1.34 0.00 0.00 3.14 8.00 -1.26 -4.90 116.55 120.19 2b9m n ASP 58 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2b9m n ASP 58 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 2b9m n ASP 58 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2b9m n SER 59 N 0.00 0.00 -0.22 -2.24 7.64 -1.26 -4.80 113.62 112.74 2b9m n SER 59 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2b9m n SER 59 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2b9m n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2b9m n ARG 60 N 0.00 0.00 0.00 1.43 3.00 -1.25 -4.79 116.66 115.05 2b9m n ARG 60 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 2b9m n ARG 60 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2b9m n ARG 60 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2b9m n GLU 61 N -0.44 0.00 -4.03 5.56 2.13 -1.25 -4.44 120.64 118.18 2b9m n GLU 61 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 2b9m n GLU 61 Cb 0.00 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2b9m n GLU 61 CO 0.00 0.00 0.00 -3.38 -0.41 0.00 0.00 177.13 173.34 2b9m s HIS 62 N 0.00 2.81 0.15 4.31 0.00 -1.26 -3.55 115.29 117.75 2b9m s HIS 62 Ca 0.00 -0.31 0.07 0.00 -3.00 0.00 0.00 55.06 51.82 2b9m s HIS 62 Cb 0.00 -1.62 -0.04 0.00 -4.00 0.00 0.00 32.58 26.91 2b9m s HIS 62 CO 0.00 0.33 -0.16 -0.06 -1.00 0.00 0.00 174.74 173.85 2b9m s PHE 63 N -2.35 1.65 -0.05 0.38 0.40 -0.80 -5.03 117.98 112.19 2b9m s PHE 63 Ca 0.38 -0.52 0.01 0.00 -0.60 0.00 0.00 56.93 56.20 2b9m s PHE 63 Cb -0.04 -0.83 0.02 0.00 0.51 0.00 0.00 43.02 42.68 2b9m s PHE 63 CO 0.24 0.26 -0.05 -1.83 0.70 0.00 0.00 175.22 174.55 2b9m s GLU 64 N -2.87 0.87 -0.23 0.44 4.04 -1.26 -2.43 118.70 117.27 2b9m s GLU 64 Ca 0.14 -0.11 -0.07 0.00 0.04 0.00 0.00 54.97 54.98 2b9m s GLU 64 Cb -0.05 -0.90 -0.03 0.00 0.02 0.00 0.00 34.13 33.17 2b9m s GLU 64 CO 0.05 -0.10 0.06 -1.17 -1.84 0.00 0.00 175.26 172.26 2b9m s LEU 65 N 1.03 3.49 -0.05 1.83 0.20 -1.11 -4.99 118.68 119.08 2b9m s LEU 65 Ca -0.09 -0.14 0.06 0.00 0.69 0.00 0.00 54.13 54.64 2b9m s LEU 65 Cb -0.14 -1.91 -0.01 0.00 -0.43 0.00 0.00 46.19 43.69 2b9m s LEU 65 CO -0.00 0.03 -0.22 0.00 -0.29 0.00 0.00 176.35 175.86 2b9m s ARG 66 N 1.24 2.16 -0.50 1.98 1.70 -1.26 -0.56 118.95 123.71 2b9m s ARG 66 Ca 0.04 -0.79 -0.09 0.00 -0.47 0.00 0.00 55.73 54.42 2b9m s ARG 66 Cb -0.14 -1.88 0.13 0.00 -0.57 0.00 0.00 34.95 32.48 2b9m s ARG 66 CO 0.03 0.36 0.37 0.99 -1.08 0.00 0.00 175.30 175.97 2b9m s THR 67 N -0.17 4.28 0.29 4.99 2.01 0.65 -4.45 115.64 123.24 2b9m s THR 67 Ca -0.01 -1.86 -0.20 0.00 0.31 0.00 0.00 61.69 59.93 2b9m s THR 67 Cb -0.12 -3.81 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 2b9m s THR 67 CO 0.02 -0.80 0.79 -1.00 -0.69 0.00 0.00 174.62 172.95 2b9m s HIS 68 N 1.26 3.56 0.18 4.92 3.76 0.69 -2.08 115.29 127.58 2b9m s HIS 68 Ca 0.07 1.45 0.09 0.00 -0.15 0.00 0.00 55.06 56.53 2b9m s HIS 68 Cb -0.25 -2.69 -0.04 0.00 1.11 0.00 0.00 32.58 30.71 2b9m s HIS 68 CO -0.01 0.21 -0.20 -0.80 -0.85 0.00 0.00 174.74 173.09 2b9m s ASN 69 N -1.84 2.93 -0.00 1.40 0.01 -1.26 -0.40 114.94 115.78 2b9m s ASN 69 Ca 0.49 -0.87 0.01 0.00 -0.71 0.00 0.00 52.86 51.79 2b9m s ASN 69 Cb -0.15 -0.19 -0.00 0.00 0.41 0.00 0.00 41.25 41.32 2b9m s ASN 69 CO 0.20 0.01 -0.05 -0.13 -1.51 0.00 0.00 177.10 175.63 2b9m s ARG 70 N -2.78 0.41 0.00 -0.60 1.81 0.55 -4.42 118.95 113.92 2b9m s ARG 70 Ca 0.18 -0.17 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 2b9m s ARG 70 Cb -0.06 -0.40 0.00 0.00 -0.45 0.00 0.00 34.95 34.04 2b9m s ARG 70 CO 0.08 0.10 0.00 -0.11 -0.68 0.00 0.00 175.30 174.69 2b9m n LEU 71 N 3.00 1.26 0.00 2.53 -0.00 -1.11 -0.50 117.00 122.18 2b9m n LEU 71 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 2b9m n LEU 71 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 2b9m n LEU 71 CO 0.25 0.21 0.00 0.52 -0.00 0.00 0.00 177.39 178.37 2b9m n VAL 72 N -2.02 0.00 -0.60 1.96 0.31 -1.25 -3.95 118.33 112.77 2b9m n VAL 72 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2b9m n VAL 72 Cb 0.40 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.33 2b9m n VAL 72 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2b9m n ASP 73 N 0.94 -3.22 -3.92 4.52 9.92 -1.26 -4.45 116.55 119.08 2b9m n ASP 73 Ca 0.00 0.71 -0.16 0.00 -0.53 0.00 0.00 54.79 54.81 2b9m n ASP 73 Cb 0.00 -1.31 -0.15 0.00 -0.64 0.00 0.00 41.12 39.02 2b9m n ASP 73 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 2b9m s ILE 74 N -4.53 0.35 0.29 0.53 1.01 -0.63 -2.53 121.20 115.68 2b9m s ILE 74 Ca 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.59 2b9m s ILE 74 Cb 0.00 -0.33 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 2b9m s ILE 74 CO 0.00 0.12 0.11 -0.63 0.00 0.00 0.00 174.94 174.54 2b9m s ILE 75 N 0.18 3.52 -0.42 2.92 1.01 -1.26 -0.67 121.20 126.49 2b9m s ILE 75 Ca -0.02 -1.69 -0.09 0.00 0.00 0.00 0.00 60.65 58.85 2b9m s ILE 75 Cb -0.05 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.40 2b9m s ILE 75 CO -0.00 -0.29 0.50 0.59 0.00 0.00 0.00 174.94 175.74 2b9m n ASN 76 N -1.07 -6.73 -4.66 3.58 3.02 -1.26 -2.40 115.26 105.74 2b9m n ASN 76 Ca -0.05 0.29 -0.41 0.00 -0.03 0.00 0.00 54.58 54.37 2b9m n ASN 76 Cb 0.60 -4.50 -0.05 0.00 -0.61 0.00 0.00 39.78 35.22 2b9m n ASN 76 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2b9m s PRO 77 N -2.50 4.24 0.12 3.52 0.04 -1.26 -3.55 135.00 135.60 2b9m s PRO 77 Ca 0.14 0.86 0.04 0.00 0.04 0.00 0.00 61.00 62.08 2b9m s PRO 77 Cb -0.04 -3.60 -0.04 0.00 0.04 0.00 0.00 34.50 30.86 2b9m s PRO 77 CO 0.61 -0.35 -0.10 -0.80 0.04 0.00 0.00 177.00 176.39 2b9m s ASN 78 N 1.23 1.64 0.42 6.66 0.01 -1.26 -5.05 114.94 118.59 2b9m s ASN 78 Ca 0.34 -0.92 0.27 0.00 -0.71 0.00 0.00 52.86 51.84 2b9m s ASN 78 Cb -0.16 -0.00 1.35 0.00 0.41 0.00 0.00 41.25 42.85 2b9m s ASN 78 CO 0.10 -0.30 1.64 0.03 -1.51 0.00 0.00 177.10 177.06 2b9m h ARG 79 N 3.15 0.13 0.00 -0.60 2.47 -1.96 0.11 114.38 117.67 2b9m h ARG 79 Ca -0.37 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.30 2b9m h ARG 79 Cb 1.19 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 29.47 2b9m h ARG 79 CO 0.59 0.08 -0.22 -0.22 0.56 0.00 0.00 179.97 180.76 2b9m h LYS 80 N 0.13 0.00 -0.21 0.04 1.63 -1.97 -3.11 116.57 113.08 2b9m h LYS 80 Ca 0.79 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 60.49 2b9m h LYS 80 Cb 2.36 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.97 2b9m h LYS 80 CO -0.46 0.22 -0.32 1.15 -3.45 0.00 0.00 179.45 176.59 2b9m h THR 81 N 0.00 1.28 -0.95 1.00 2.02 -1.24 -3.22 112.91 111.80 2b9m h THR 81 Ca -0.00 -1.39 -0.48 0.00 0.77 0.00 0.00 66.41 65.31 2b9m h THR 81 Cb 0.42 1.48 -0.16 0.00 -1.74 0.00 0.00 68.15 68.15 2b9m h THR 81 CO 0.03 0.43 0.45 -0.38 0.37 0.00 0.00 175.52 176.42 2b9m n ILE 82 N -4.08 3.41 0.00 3.11 5.41 -1.18 -3.71 119.36 122.33 2b9m n ILE 82 Ca -0.01 -2.91 0.00 0.00 1.00 0.00 0.00 62.75 60.83 2b9m n ILE 82 Cb 0.44 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.70 2b9m n ILE 82 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2b9m n GLU 83 N 1.12 0.55 -0.07 0.38 4.07 -1.21 -4.50 120.64 120.98 2b9m n GLU 83 Ca 0.49 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.71 2b9m n GLU 83 Cb 0.57 -0.26 0.24 0.00 -0.06 0.00 0.00 31.44 31.93 2b9m n GLU 83 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2b9m n GLN 84 N -0.41 2.21 0.00 5.31 6.02 -1.24 -4.32 117.38 124.94 2b9m n GLN 84 Ca 0.00 -1.79 0.00 0.00 -0.01 0.00 0.00 57.00 55.20 2b9m n GLN 84 Cb 0.00 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.79 2b9m n GLN 84 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2b9m n LEU 85 N 1.09 0.00 0.19 1.08 4.77 -1.25 -4.61 117.00 118.26 2b9m n LEU 85 Ca 0.17 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 56.00 2b9m n LEU 85 Cb 0.53 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2b9m n LEU 85 CO 0.15 0.00 0.71 -0.03 -1.33 0.00 0.00 177.39 176.89 2b9m h MET 86 N 0.00 -0.42 -1.44 3.23 4.05 -1.79 -3.38 114.93 115.19 2b9m h MET 86 Ca 0.00 0.03 -0.42 0.00 -0.28 0.00 0.00 59.70 59.02 2b9m h MET 86 Cb 0.65 0.10 -0.40 0.00 -0.80 0.00 0.00 31.60 31.14 2b9m h MET 86 CO 0.00 -0.22 -1.16 2.41 0.23 0.00 0.00 176.91 178.18 2b9m n THR 87 N -5.24 0.72 -2.76 -0.77 -1.04 -1.26 -4.86 114.28 99.07 2b9m n THR 87 Ca -0.10 -3.80 -0.00 0.00 -2.04 0.00 0.00 64.05 58.11 2b9m n THR 87 Cb 0.22 0.16 0.06 0.00 -1.82 0.00 0.00 70.33 68.94 2b9m n THR 87 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2b9m n LEU 88 N 0.03 0.91 -4.88 -4.42 4.77 -1.26 -5.04 117.00 107.11 2b9m n LEU 88 Ca 0.17 -2.94 -0.32 0.00 -0.03 0.00 0.00 56.01 52.89 2b9m n LEU 88 Cb 0.74 0.35 -0.05 0.00 -2.33 0.00 0.00 43.42 42.13 2b9m n LEU 88 CO 0.25 1.11 0.08 1.51 -1.33 0.00 0.00 177.39 179.02 2b9m s ASP 89 N -3.10 6.56 0.00 -1.43 -4.77 -1.26 -4.91 116.67 107.76 2b9m s ASP 89 Ca 0.24 0.71 0.00 0.00 -3.30 0.00 0.00 52.55 50.20 2b9m s ASP 89 Cb 0.34 -2.14 0.00 0.00 -1.09 0.00 0.00 42.92 40.03 2b9m s ASP 89 CO -0.07 0.06 0.00 0.18 0.70 0.00 0.00 175.17 176.04 2b9m n LEU 90 N 0.25 2.11 -4.77 2.11 4.77 -1.26 -5.08 117.00 115.13 2b9m n LEU 90 Ca -0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.54 2b9m n LEU 90 Cb 0.52 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.60 2b9m n LEU 90 CO 0.46 0.34 1.02 -2.16 -1.33 0.00 0.00 177.39 175.72 2b9m s PRO 91 N -1.89 4.16 0.01 3.23 0.04 -1.26 -4.94 135.00 134.34 2b9m s PRO 91 Ca 0.00 2.30 0.22 0.00 0.04 0.00 0.00 61.00 63.56 2b9m s PRO 91 Cb 0.00 -2.94 -0.09 0.00 0.04 0.00 0.00 34.50 31.51 2b9m s PRO 91 CO 0.00 -0.38 0.94 -2.37 0.04 0.00 0.00 177.00 175.23 2b9m n THR 92 N 0.49 0.03 1.04 1.26 5.66 -1.26 -4.40 114.28 117.10 2b9m n THR 92 Ca 0.01 -0.11 0.12 0.00 -3.05 0.00 0.00 64.05 61.02 2b9m n THR 92 Cb 0.42 0.61 0.16 0.00 -1.55 0.00 0.00 70.33 69.97 2b9m n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2b9m n GLY 93 N 1.44 -0.99 3.71 1.09 0.00 -1.26 -4.96 105.19 104.23 2b9m n GLY 93 Ca 0.03 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 2b9m n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b9m s VAL 94 N -2.88 4.08 -0.06 1.61 1.01 -1.26 -4.60 120.40 118.29 2b9m s VAL 94 Ca 0.13 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 61.03 2b9m s VAL 94 Cb 0.17 -3.01 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 2b9m s VAL 94 CO 0.70 -0.01 -0.21 -0.70 0.00 0.00 0.00 175.10 174.89 2b9m s GLU 95 N -2.70 2.32 0.01 2.72 2.12 -1.24 -5.06 118.70 116.87 2b9m s GLU 95 Ca 0.28 -0.74 -0.21 0.00 0.36 0.00 0.00 54.97 54.66 2b9m s GLU 95 Cb -0.11 -1.90 -0.05 0.00 0.26 0.00 0.00 34.13 32.33 2b9m s GLU 95 CO 0.20 0.24 0.63 0.96 -0.54 0.00 0.00 175.26 176.75 2b9m s ILE 96 N 0.14 4.86 -0.39 -3.70 -4.36 -1.26 -3.70 121.20 112.79 2b9m s ILE 96 Ca -0.09 1.33 0.01 0.00 -0.26 0.00 0.00 60.65 61.64 2b9m s ILE 96 Cb -0.14 -3.97 0.12 0.00 1.25 0.00 0.00 42.46 39.72 2b9m s ILE 96 CO 0.05 0.41 0.18 -1.61 0.24 0.00 0.00 174.94 174.21 2b9m s GLU 97 N -0.21 1.06 -0.19 0.37 0.41 0.42 -4.96 118.70 115.60 2b9m s GLU 97 Ca 0.33 -1.65 -0.08 0.00 -0.41 0.00 0.00 54.97 53.16 2b9m s GLU 97 Cb -0.19 -2.20 -0.04 0.00 -1.78 0.00 0.00 34.13 29.92 2b9m s GLU 97 CO 0.19 -1.10 0.07 0.42 -0.49 0.00 0.00 175.26 174.35 2b9m s ILE 98 N 0.84 4.80 0.08 -1.63 1.01 -1.26 -0.54 121.20 124.50 2b9m s ILE 98 Ca 0.15 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.79 2b9m s ILE 98 Cb -0.22 -3.17 -0.01 0.00 0.01 0.00 0.00 42.46 39.07 2b9m s ILE 98 CO -0.08 0.44 0.05 0.29 0.00 0.00 0.00 174.94 175.64 2b9m n LYS 99 N 3.68 0.36 0.00 2.79 5.02 0.10 -5.01 118.16 125.10 2b9m n LYS 99 Ca -0.16 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 2b9m n LYS 99 Cb 0.52 0.56 0.00 0.00 -0.02 0.00 0.00 35.03 36.09 2b9m n LYS 99 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13