#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x9t s ILE 3 N 0.00 4.34 0.02 4.25 -4.36 -1.26 -4.99 121.20 119.20 2x9t s ILE 3 Ca 0.00 -0.28 -0.37 0.00 -0.26 0.00 0.00 60.65 59.73 2x9t s ILE 3 Cb 0.00 -4.66 -0.17 0.00 1.25 0.00 0.00 42.46 38.88 2x9t s ILE 3 CO 0.00 -1.41 1.41 0.35 0.24 0.00 0.00 174.94 175.53 2x9t n THR 4 N 5.95 0.06 -0.34 8.37 -2.24 -1.26 -4.67 114.28 120.15 2x9t n THR 4 Ca -0.03 -0.01 0.27 0.00 -2.27 0.00 0.00 64.05 62.00 2x9t n THR 4 Cb 0.46 -0.87 0.51 0.00 -2.10 0.00 0.00 70.33 68.33 2x9t n THR 4 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2x9t h LYS 5 N 4.99 0.24 -0.28 -0.78 1.57 -1.98 0.46 116.57 120.79 2x9t h LYS 5 Ca -0.48 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.26 2x9t h LYS 5 Cb 1.34 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2x9t h LYS 5 CO 0.81 0.16 0.05 0.93 -0.57 0.00 0.00 179.45 180.82 2x9t h GLU 6 N 0.25 0.46 -0.69 3.15 3.07 -2.00 -0.35 114.58 118.48 2x9t h GLU 6 Ca 0.76 -0.12 0.05 0.00 -0.50 0.00 0.00 59.36 59.54 2x9t h GLU 6 Cb 1.86 -0.05 -0.05 0.00 -0.84 0.00 0.00 28.75 29.66 2x9t h GLU 6 CO -0.60 0.57 0.41 1.49 -1.40 0.00 0.00 179.01 179.48 2x9t h GLU 7 N 0.27 0.74 -0.35 2.33 4.81 -0.54 -0.52 114.58 121.32 2x9t h GLU 7 Ca 0.08 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.28 2x9t h GLU 7 Cb 0.33 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 2x9t h GLU 7 CO 0.01 0.49 0.23 -0.22 -0.73 0.00 0.00 179.01 178.78 2x9t h LYS 8 N 0.76 0.45 -0.66 1.92 3.64 -0.48 -2.26 116.57 119.94 2x9t h LYS 8 Ca 0.30 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.63 2x9t h LYS 8 Cb 0.13 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2x9t h LYS 8 CO -0.16 0.30 0.33 1.96 -2.27 0.00 0.00 179.45 179.61 2x9t h GLN 9 N 0.46 0.94 -0.73 1.90 1.08 -0.55 -2.59 115.11 115.62 2x9t h GLN 9 Ca 0.13 -0.13 0.14 0.00 -1.45 0.00 0.00 58.65 57.34 2x9t h GLN 9 Cb -0.04 -0.17 -0.14 0.00 -0.05 0.00 0.00 27.48 27.08 2x9t h GLN 9 CO -0.04 0.74 -0.22 -0.22 -0.95 0.00 0.00 178.83 178.14 2x9t h LYS 10 N 0.90 -0.03 -0.23 1.46 1.63 -0.51 0.25 116.57 120.04 2x9t h LYS 10 Ca 0.23 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.00 2x9t h LYS 10 Cb 0.10 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.73 2x9t h LYS 10 CO -0.03 -0.02 0.03 0.28 -3.45 0.00 0.00 179.45 176.26 2x9t h VAL 11 N -0.03 1.23 0.07 2.00 2.07 -1.28 -0.73 116.25 119.58 2x9t h VAL 11 Ca 0.34 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.06 2x9t h VAL 11 Cb 0.55 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 2x9t h VAL 11 CO -0.76 0.25 -0.17 0.40 0.02 0.00 0.00 177.57 177.31 2x9t h ILE 12 N 0.18 0.00 -0.13 4.57 2.04 -0.75 0.25 117.51 123.67 2x9t h ILE 12 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.97 2x9t h ILE 12 Cb 0.34 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2x9t h ILE 12 CO 0.01 0.00 0.24 1.56 0.00 0.00 0.00 178.15 179.96 2x9t h GLN 13 N -0.26 0.00 -0.06 2.37 7.50 -1.07 0.56 115.11 124.15 2x9t h GLN 13 Ca -0.01 0.00 -0.09 0.00 0.50 0.00 0.00 58.65 59.06 2x9t h GLN 13 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.78 2x9t h GLN 13 CO -0.08 0.00 -0.30 1.49 -1.50 0.00 0.00 178.83 178.44 2x9t h GLU 14 N 0.00 0.31 -0.02 1.46 4.57 0.35 -3.35 114.58 117.89 2x9t h GLU 14 Ca 0.06 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2x9t h GLU 14 Cb 0.54 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2x9t h GLU 14 CO -0.00 0.90 -0.02 1.19 -1.18 0.00 0.00 179.01 179.90 2x9t n PHE 15 N -4.45 0.00 -2.01 0.92 3.01 0.73 -5.00 117.46 110.66 2x9t n PHE 15 Ca -0.08 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.01 2x9t n PHE 15 Cb 0.49 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.99 2x9t n PHE 15 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2x9t s ALA 16 N -1.54 2.69 -0.00 4.37 0.00 0.18 -4.28 121.76 123.19 2x9t s ALA 16 Ca 0.21 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.22 2x9t s ALA 16 Cb 0.15 -3.46 -0.01 0.00 0.00 0.00 0.00 23.12 19.80 2x9t s ALA 16 CO 0.24 -1.10 0.64 0.00 0.00 0.00 0.00 175.76 175.53 2x9t h ARG 17 N 1.25 -0.06 -6.43 0.00 2.47 -1.89 -3.46 114.38 106.26 2x9t h ARG 17 Ca -0.50 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 57.59 2x9t h ARG 17 Cb 1.29 0.01 -0.13 0.00 -1.65 0.00 0.00 29.97 29.49 2x9t h ARG 17 CO 0.57 -0.04 -0.70 -0.59 0.56 0.00 0.00 179.97 179.77 2x9t s PHE 18 N -2.38 2.79 0.07 3.04 -0.12 -1.26 -5.04 117.98 115.09 2x9t s PHE 18 Ca -0.01 -0.15 -0.34 0.00 -0.05 0.00 0.00 56.93 56.39 2x9t s PHE 18 Cb 0.00 -1.40 -0.13 0.00 -0.63 0.00 0.00 43.02 40.87 2x9t s PHE 18 CO 0.03 0.48 1.71 -2.30 -0.05 0.00 0.00 175.22 175.09 2x9t n PRO 19 N 0.24 2.24 0.00 1.99 -0.02 -1.26 -1.24 135.00 136.95 2x9t n PRO 19 Ca -0.11 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2x9t n PRO 19 Cb 0.54 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 2x9t n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x9t n GLY 20 N 3.84 1.55 3.55 -1.23 0.00 -1.26 -5.05 105.19 106.60 2x9t n GLY 20 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2x9t n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2x9t s ASP 21 N -1.82 4.68 -0.06 1.61 3.68 -0.37 -4.84 116.67 119.55 2x9t s ASP 21 Ca 0.00 0.58 -0.02 0.00 2.13 0.00 0.00 52.55 55.24 2x9t s ASP 21 Cb 0.00 -2.52 -0.01 0.00 -1.45 0.00 0.00 42.92 38.94 2x9t s ASP 21 CO 0.00 -2.84 -0.03 0.71 0.13 0.00 0.00 175.17 173.13 2x9t h THR 22 N 7.41 0.00 0.00 1.71 1.35 -1.96 -3.44 112.91 117.97 2x9t h THR 22 Ca -0.19 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.14 2x9t h THR 22 Cb 1.18 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2x9t h THR 22 CO 1.16 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 177.04 2x9t n GLY 23 N 1.82 -0.52 0.92 5.82 0.00 -1.26 -4.82 105.19 107.14 2x9t n GLY 23 Ca -0.01 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2x9t n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2x9t n SER 24 N 0.00 -4.97 0.00 1.61 2.88 -1.26 -4.04 113.62 107.84 2x9t n SER 24 Ca 0.00 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 2x9t n SER 24 Cb 0.00 -3.13 0.00 0.00 -0.75 0.00 0.00 64.21 60.33 2x9t n SER 24 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2x9t n THR 25 N -3.40 0.00 -0.20 2.46 -1.04 -1.26 -2.06 114.28 108.77 2x9t n THR 25 Ca -0.06 0.51 0.16 0.00 -2.04 0.00 0.00 64.05 62.62 2x9t n THR 25 Cb 0.43 -1.19 0.30 0.00 -1.82 0.00 0.00 70.33 68.04 2x9t n THR 25 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2x9t n GLU 26 N -1.41 -0.04 -0.02 -2.82 1.02 -1.26 0.21 120.64 116.32 2x9t n GLU 26 Ca 0.00 0.88 -0.15 0.00 -0.02 0.00 0.00 57.16 57.87 2x9t n GLU 26 Cb 0.00 -1.52 -0.11 0.00 -0.02 0.00 0.00 31.44 29.80 2x9t n GLU 26 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2x9t h VAL 27 N 0.00 1.50 -0.77 2.62 2.07 -1.75 -3.05 116.25 116.87 2x9t h VAL 27 Ca 0.47 -1.87 0.14 0.00 0.82 0.00 0.00 66.70 66.27 2x9t h VAL 27 Cb 1.17 2.61 -0.10 0.00 -1.52 0.00 0.00 31.29 33.46 2x9t h VAL 27 CO -0.52 0.52 0.31 1.56 0.02 0.00 0.00 177.57 179.47 2x9t h GLN 28 N -0.38 0.44 0.39 1.57 4.20 0.31 -1.37 115.11 120.28 2x9t h GLN 28 Ca -0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 2x9t h GLN 28 Cb 1.00 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.68 2x9t h GLN 28 CO 0.06 0.29 -0.25 0.28 -0.67 0.00 0.00 178.83 178.54 2x9t h VAL 29 N 0.46 0.00 -1.10 -0.54 2.07 -1.24 -2.80 116.25 113.09 2x9t h VAL 29 Ca 0.42 0.00 0.38 0.00 0.82 0.00 0.00 66.70 68.33 2x9t h VAL 29 Cb 0.64 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.26 2x9t h VAL 29 CO -0.40 0.00 0.65 0.00 0.02 0.00 0.00 177.57 177.84 2x9t h ALA 30 N -1.51 2.27 -0.57 1.67 0.00 -1.30 0.59 119.26 120.41 2x9t h ALA 30 Ca -0.05 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2x9t h ALA 30 Cb 0.49 0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2x9t h ALA 30 CO 0.04 -0.94 0.32 -0.07 0.00 0.00 0.00 179.25 178.61 2x9t h LEU 31 N 0.16 0.71 0.18 0.00 -0.00 -1.05 -1.59 115.31 113.72 2x9t h LEU 31 Ca 0.79 -0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 58.57 2x9t h LEU 31 Cb 2.12 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 42.60 2x9t h LEU 31 CO -0.58 0.60 -0.08 -0.07 -0.00 0.00 0.00 178.44 178.30 2x9t h LEU 32 N 0.78 -0.20 -0.93 1.67 3.38 0.37 -2.04 115.31 118.34 2x9t h LEU 32 Ca 0.20 -0.27 0.26 0.00 0.09 0.00 0.00 57.88 58.17 2x9t h LEU 32 Cb 0.04 0.05 -0.14 0.00 0.09 0.00 0.00 40.66 40.69 2x9t h LEU 32 CO -0.03 0.18 0.35 0.74 0.09 0.00 0.00 178.44 179.77 2x9t h THR 33 N -0.62 0.31 0.17 0.22 2.02 -1.03 0.75 112.91 114.74 2x9t h THR 33 Ca -0.02 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2x9t h THR 33 Cb 0.45 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 2x9t h THR 33 CO 0.04 0.05 -0.08 0.25 0.37 0.00 0.00 175.52 176.14 2x9t h LEU 34 N 0.26 -0.19 -0.91 2.58 5.85 -1.21 -2.27 115.31 119.41 2x9t h LEU 34 Ca 0.62 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 59.15 2x9t h LEU 34 Cb 1.30 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 42.30 2x9t h LEU 34 CO -0.64 0.23 0.54 0.03 -0.34 0.00 0.00 178.44 178.26 2x9t h ARG 35 N -0.66 0.84 0.22 1.25 3.08 -0.21 -2.46 114.38 116.44 2x9t h ARG 35 Ca -0.02 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2x9t h ARG 35 Cb 0.48 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2x9t h ARG 35 CO 0.04 0.56 -0.12 0.82 -1.07 0.00 0.00 179.97 180.19 2x9t h ILE 36 N 0.87 0.00 0.00 2.04 2.04 0.43 -1.70 117.51 121.18 2x9t h ILE 36 Ca 0.45 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.31 2x9t h ILE 36 Cb 0.46 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2x9t h ILE 36 CO -0.27 0.00 0.41 0.78 0.00 0.00 0.00 178.15 179.07 2x9t h ASN 37 N -0.31 0.00 0.15 1.72 -0.26 -1.26 1.59 115.58 117.21 2x9t h ASN 37 Ca -0.03 0.00 -0.29 0.00 -0.56 0.00 0.00 56.30 55.42 2x9t h ASN 37 Cb 0.25 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.51 2x9t h ASN 37 CO 0.04 0.00 -1.41 0.03 -1.06 0.00 0.00 177.43 175.03 2x9t h ARG 38 N 0.00 0.32 0.02 0.81 2.47 -1.10 -3.01 114.38 113.91 2x9t h ARG 38 Ca 0.00 -0.56 -0.26 0.00 -1.26 0.00 0.00 59.98 57.90 2x9t h ARG 38 Cb 0.82 0.21 0.02 0.00 -1.65 0.00 0.00 29.97 29.37 2x9t h ARG 38 CO 0.00 1.27 -1.05 1.25 0.56 0.00 0.00 179.97 181.99 2x9t h LEU 39 N -0.16 0.78 -0.89 3.04 7.12 0.12 -1.93 115.31 123.38 2x9t h LEU 39 Ca -0.28 -0.65 0.13 0.00 0.13 0.00 0.00 57.88 57.21 2x9t h LEU 39 Cb 1.87 -0.24 -0.09 0.00 -0.53 0.00 0.00 40.66 41.67 2x9t h LEU 39 CO 0.13 1.45 0.51 -1.28 -0.13 0.00 0.00 178.44 179.12 2x9t h SER 40 N 0.32 0.69 -0.08 1.25 0.87 0.18 0.17 113.55 116.95 2x9t h SER 40 Ca -0.12 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.46 2x9t h SER 40 Cb 1.71 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2x9t h SER 40 CO 0.20 0.33 -0.12 -0.08 -0.53 0.00 0.00 176.83 176.63 2x9t h GLU 41 N 0.77 0.22 -0.18 2.24 4.57 -1.43 -2.45 114.58 118.31 2x9t h GLU 41 Ca 0.47 -0.13 0.05 0.00 -1.18 0.00 0.00 59.36 58.57 2x9t h GLU 41 Cb 0.57 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 29.10 2x9t h GLU 41 CO -0.31 0.69 -0.32 1.25 -1.18 0.00 0.00 179.01 179.14 2x9t h HIS 42 N -0.23 -0.88 -0.97 0.92 -0.00 -0.43 -0.93 115.15 112.64 2x9t h HIS 42 Ca 0.01 0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.49 2x9t h HIS 42 Cb 0.67 0.41 -0.06 0.00 -0.00 0.00 0.00 27.41 28.43 2x9t h HIS 42 CO 0.10 -0.39 0.63 -0.07 -0.00 0.00 0.00 177.93 178.20 2x9t h LEU 43 N -0.36 0.99 -2.07 0.26 3.38 -0.78 0.25 115.31 116.97 2x9t h LEU 43 Ca 0.11 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2x9t h LEU 43 Cb 0.54 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2x9t h LEU 43 CO -0.39 0.63 0.11 0.50 0.09 0.00 0.00 178.44 179.38 2x9t h LYS 44 N 1.11 0.00 0.00 1.13 3.64 -0.67 -2.07 116.57 119.72 2x9t h LYS 44 Ca 0.42 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.63 2x9t h LYS 44 Cb 0.19 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2x9t h LYS 44 CO -0.17 0.00 -1.65 0.28 -2.27 0.00 0.00 179.45 175.65 2x9t n VAL 45 N -2.67 0.65 -3.46 2.00 0.31 0.19 -4.70 118.33 110.65 2x9t n VAL 45 Ca -0.02 -0.38 -0.31 0.00 -0.01 0.00 0.00 64.34 63.62 2x9t n VAL 45 Cb 0.15 -0.78 -0.07 0.00 -0.91 0.00 0.00 33.84 32.24 2x9t n VAL 45 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2x9t n HIS 46 N -2.43 3.46 -0.30 3.52 8.25 0.62 -4.92 115.22 123.43 2x9t n HIS 46 Ca -0.16 -3.92 -0.02 0.00 -0.26 0.00 0.00 57.72 53.35 2x9t n HIS 46 Cb 0.79 -0.78 0.10 0.00 1.12 0.00 0.00 29.99 31.23 2x9t n HIS 46 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2x9t h LYS 47 N 4.86 1.02 0.00 -0.41 1.57 -1.67 -2.51 116.57 119.43 2x9t h LYS 47 Ca 0.19 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2x9t h LYS 47 Cb 0.69 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.77 2x9t h LYS 47 CO 0.90 0.68 0.00 1.63 -0.57 0.00 0.00 179.45 182.09 2x9t n LYS 48 N -4.56 0.09 -2.21 3.15 4.76 -1.26 -4.41 118.16 113.72 2x9t n LYS 48 Ca 0.10 0.43 -0.32 0.00 -2.87 0.00 0.00 58.31 55.65 2x9t n LYS 48 Cb 0.08 -1.71 -0.04 0.00 -1.84 0.00 0.00 35.03 31.51 2x9t n LYS 48 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2x9t s ASP 49 N -3.62 5.57 0.14 4.39 -1.08 -0.95 -4.74 116.67 116.38 2x9t s ASP 49 Ca 0.03 -1.23 0.08 0.00 -0.52 0.00 0.00 52.55 50.91 2x9t s ASP 49 Cb 0.07 -2.57 -0.12 0.00 -1.46 0.00 0.00 42.92 38.84 2x9t s ASP 49 CO 0.25 -2.40 1.33 0.45 0.52 0.00 0.00 175.17 175.32 2x9t h HIS 50 N 10.27 0.00 -0.13 -5.34 3.86 -1.88 -3.19 115.15 118.75 2x9t h HIS 50 Ca 0.18 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2x9t h HIS 50 Cb 0.98 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.44 2x9t h HIS 50 CO 1.25 0.94 0.04 0.45 0.86 0.00 0.00 177.93 181.47 2x9t h HIS 51 N 0.00 0.21 -0.26 2.45 3.86 -1.97 -2.19 115.15 117.25 2x9t h HIS 51 Ca -0.01 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.17 2x9t h HIS 51 Cb 1.66 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 30.06 2x9t h HIS 51 CO 0.00 0.35 0.13 0.77 0.86 0.00 0.00 177.93 180.03 2x9t h SER 52 N 0.02 0.32 -0.88 2.45 0.02 -1.97 -1.52 113.55 111.98 2x9t h SER 52 Ca 0.04 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2x9t h SER 52 Cb 0.24 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 2x9t h SER 52 CO -0.00 0.28 0.55 -0.74 -1.14 0.00 0.00 176.83 175.78 2x9t h HIS 53 N 0.36 1.14 -0.68 3.45 6.17 -1.40 -1.67 115.15 122.52 2x9t h HIS 53 Ca 0.09 0.01 0.01 0.00 0.71 0.00 0.00 60.37 61.19 2x9t h HIS 53 Cb 0.04 -0.38 -0.04 0.00 2.52 0.00 0.00 27.41 29.56 2x9t h HIS 53 CO 0.00 0.74 0.45 -0.09 0.71 0.00 0.00 177.93 179.74 2x9t h ARG 54 N 1.20 0.89 -0.72 5.26 2.43 -0.69 0.55 114.38 123.29 2x9t h ARG 54 Ca 0.32 -0.05 0.11 0.00 -0.81 0.00 0.00 59.98 59.55 2x9t h ARG 54 Cb -0.09 -0.20 -0.08 0.00 -0.42 0.00 0.00 29.97 29.18 2x9t h ARG 54 CO -0.06 0.59 0.33 0.78 -1.51 0.00 0.00 179.97 180.09 2x9t h GLY 55 N 0.91 1.09 0.81 2.80 0.00 -1.10 -0.35 103.07 107.23 2x9t h GLY 55 Ca 0.25 -0.18 0.02 0.00 0.00 0.00 0.00 47.33 47.42 2x9t h GLY 55 CO -0.06 -0.01 -0.04 -2.00 0.00 0.00 0.00 176.54 174.42 2x9t h LEU 56 N 0.52 -0.14 -1.00 3.11 5.85 -0.26 -0.42 115.31 122.98 2x9t h LEU 56 Ca 0.37 0.03 0.22 0.00 0.84 0.00 0.00 57.88 59.35 2x9t h LEU 56 Cb 0.48 0.07 -0.12 0.00 0.37 0.00 0.00 40.66 41.46 2x9t h LEU 56 CO -0.33 -0.06 0.59 -0.07 -0.34 0.00 0.00 178.44 178.24 2x9t h LEU 57 N -0.05 0.71 0.03 2.25 3.38 0.57 -0.27 115.31 121.92 2x9t h LEU 57 Ca 0.04 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2x9t h LEU 57 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 2x9t h LEU 57 CO -0.09 0.17 -0.01 0.24 0.09 0.00 0.00 178.44 178.84 2x9t h MET 58 N 0.65 -0.04 -0.80 1.13 2.86 -0.45 -2.61 114.93 115.68 2x9t h MET 58 Ca 0.61 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 58.37 2x9t h MET 58 Cb 1.08 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.69 2x9t h MET 58 CO -0.44 0.44 0.52 0.52 1.06 0.00 0.00 176.91 179.01 2x9t h MET 59 N -0.53 0.64 -0.03 1.72 2.86 -0.05 -0.52 114.93 119.03 2x9t h MET 59 Ca -0.00 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.48 2x9t h MET 59 Cb 0.49 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2x9t h MET 59 CO 0.01 0.43 -0.51 0.28 1.06 0.00 0.00 176.91 178.17 2x9t h VAL 60 N 0.66 1.36 0.30 -2.22 2.07 -1.06 -2.72 116.25 114.65 2x9t h VAL 60 Ca 0.38 -1.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 2x9t h VAL 60 Cb 0.56 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 2x9t h VAL 60 CO -0.15 0.51 -0.14 1.23 0.02 0.00 0.00 177.57 179.04 2x9t h GLY 61 N 1.49 -0.42 0.16 2.17 0.00 -0.71 -1.99 103.07 103.77 2x9t h GLY 61 Ca -0.00 0.16 0.14 0.00 0.00 0.00 0.00 47.33 47.63 2x9t h GLY 61 CO 0.07 -0.15 0.33 -1.61 0.00 0.00 0.00 176.54 175.18 2x9t h GLN 62 N -0.82 0.47 -0.52 4.80 5.75 -1.44 0.58 115.11 123.92 2x9t h GLN 62 Ca -0.04 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 2x9t h GLN 62 Cb 0.52 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 2x9t h GLN 62 CO 0.07 0.31 0.26 -0.09 -2.65 0.00 0.00 178.83 176.73 2x9t h ARG 63 N 0.48 0.72 0.40 1.69 2.43 -1.47 -0.14 114.38 118.48 2x9t h ARG 63 Ca 0.43 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.50 2x9t h ARG 63 Cb 0.64 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2x9t h ARG 63 CO -0.39 0.55 -0.19 -0.09 -1.51 0.00 0.00 179.97 178.33 2x9t h ARG 64 N 0.72 -0.51 -1.00 0.20 2.43 0.65 0.53 114.38 117.40 2x9t h ARG 64 Ca 0.18 0.04 0.39 0.00 -0.81 0.00 0.00 59.98 59.78 2x9t h ARG 64 Cb 0.05 0.12 -0.17 0.00 -0.42 0.00 0.00 29.97 29.55 2x9t h ARG 64 CO -0.03 -0.34 0.50 0.00 -1.51 0.00 0.00 179.97 178.59 2x9t h ARG 65 N -0.73 0.06 0.08 0.20 -0.00 0.16 0.31 114.38 114.46 2x9t h ARG 65 Ca -0.05 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.98 59.42 2x9t h ARG 65 Cb 0.41 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.37 2x9t h ARG 65 CO 0.09 0.04 -0.04 -0.07 0.00 0.00 0.00 179.97 179.99 2x9t h LEU 66 N 0.06 -0.09 -2.00 3.04 4.07 -1.01 -2.43 115.31 116.95 2x9t h LEU 66 Ca 0.81 -0.37 0.04 0.00 0.08 0.00 0.00 57.88 58.44 2x9t h LEU 66 Cb 2.05 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.81 2x9t h LEU 66 CO -0.75 0.56 0.36 -0.07 -1.08 0.00 0.00 178.44 177.46 2x9t h LEU 67 N -0.97 0.00 0.00 1.67 3.38 0.55 0.33 115.31 120.27 2x9t h LEU 67 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2x9t h LEU 67 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2x9t h LEU 67 CO 0.02 0.00 -0.03 -0.09 0.09 0.00 0.00 178.44 178.43 2x9t h ARG 68 N 0.00 0.02 0.31 1.13 2.43 -0.46 -2.98 114.38 114.83 2x9t h ARG 68 Ca 0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2x9t h ARG 68 Cb 0.80 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 2x9t h ARG 68 CO -0.00 0.85 -0.33 -0.92 -1.51 0.00 0.00 179.97 178.06 2x9t h TYR 69 N -0.81 -0.89 -1.03 2.20 3.20 0.01 -2.47 116.97 117.18 2x9t h TYR 69 Ca -0.00 0.01 0.26 0.00 3.14 0.00 0.00 58.73 62.13 2x9t h TYR 69 Cb 0.86 0.35 -0.09 0.00 1.54 0.00 0.00 36.73 39.39 2x9t h TYR 69 CO 0.22 -0.46 0.67 1.25 -1.64 0.00 0.00 178.16 178.19 2x9t h LEU 70 N -0.67 0.43 -0.30 2.82 5.85 -0.82 0.85 115.31 123.46 2x9t h LEU 70 Ca -0.01 0.07 -0.20 0.00 0.84 0.00 0.00 57.88 58.58 2x9t h LEU 70 Cb 0.62 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.66 2x9t h LEU 70 CO -0.08 0.09 -0.69 -0.61 -0.34 0.00 0.00 178.44 176.81 2x9t h GLN 71 N 0.38 0.67 0.29 1.25 4.15 -1.29 -1.19 115.11 119.38 2x9t h GLN 71 Ca 0.58 -0.51 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 2x9t h GLN 71 Cb 1.49 0.09 0.00 0.00 0.21 0.00 0.00 27.48 29.28 2x9t h GLN 71 CO -0.27 1.13 -0.14 -0.09 -1.93 0.00 0.00 178.83 177.53 2x9t h ARG 72 N 0.48 -0.38 -0.07 1.69 2.43 -0.49 -2.80 114.38 115.24 2x9t h ARG 72 Ca -0.03 0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.01 2x9t h ARG 72 Cb 1.29 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.92 2x9t h ARG 72 CO 0.14 -0.13 -0.64 0.93 -1.51 0.00 0.00 179.97 178.76 2x9t h GLU 73 N -0.57 0.27 -1.31 0.20 4.39 -1.30 -3.42 114.58 112.84 2x9t h GLU 73 Ca -0.04 -0.20 -0.20 0.00 0.34 0.00 0.00 59.36 59.26 2x9t h GLU 73 Cb 0.42 0.03 -0.22 0.00 -0.10 0.00 0.00 28.75 28.88 2x9t h GLU 73 CO 0.07 0.82 -0.56 0.34 -1.16 0.00 0.00 179.01 178.51 2x9t s ASP 74 N -6.91 -0.72 0.31 1.42 3.68 -0.45 -5.02 116.67 108.99 2x9t s ASP 74 Ca -0.04 -1.48 0.06 0.00 2.13 0.00 0.00 52.55 53.22 2x9t s ASP 74 Cb 0.12 1.45 0.72 0.00 -1.45 0.00 0.00 42.92 43.76 2x9t s ASP 74 CO 0.81 -0.15 1.82 1.55 0.13 0.00 0.00 175.17 179.33 2x9t h PRO 75 N 6.19 0.78 -0.90 4.34 0.13 -1.63 -2.59 132.00 138.33 2x9t h PRO 75 Ca 0.07 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2x9t h PRO 75 Cb 1.11 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.02 2x9t h PRO 75 CO 0.11 0.52 0.55 1.49 -0.23 0.00 0.00 178.00 180.44 2x9t h GLU 76 N 0.80 1.22 -0.95 0.86 4.57 -1.90 -2.38 114.58 116.80 2x9t h GLU 76 Ca 0.52 -0.10 -0.40 0.00 -1.18 0.00 0.00 59.36 58.21 2x9t h GLU 76 Cb 0.76 -0.26 -0.24 0.00 -0.16 0.00 0.00 28.75 28.86 2x9t h GLU 76 CO -0.30 0.84 0.50 2.89 -1.18 0.00 0.00 179.01 181.77 2x9t n ARG 77 N -4.37 2.38 -0.07 1.92 1.85 -0.98 -3.35 116.66 114.05 2x9t n ARG 77 Ca 0.10 -2.63 -0.14 0.00 -1.00 0.00 0.00 57.85 54.17 2x9t n ARG 77 Cb 0.05 -2.04 -0.05 0.00 -1.05 0.00 0.00 32.46 29.37 2x9t n ARG 77 CO 0.00 0.00 0.00 0.98 -0.01 0.00 0.00 177.63 178.60 2x9t n TYR 78 N -0.75 0.00 -0.36 2.89 9.36 -0.92 -4.11 117.16 123.27 2x9t n TYR 78 Ca 0.49 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.75 2x9t n TYR 78 Cb 1.47 -0.49 0.20 0.00 -0.63 0.00 0.00 39.34 39.88 2x9t n TYR 78 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2x9t h ARG 79 N -0.46 1.05 0.74 2.98 3.08 -1.54 0.99 114.38 121.23 2x9t h ARG 79 Ca -0.34 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.61 2x9t h ARG 79 Cb 1.31 -0.24 0.01 0.00 0.08 0.00 0.00 29.97 31.13 2x9t h ARG 79 CO -0.20 0.70 -0.36 0.00 -1.07 0.00 0.00 179.97 179.04 2x9t h ALA 80 N 1.48 -1.00 -0.14 0.04 0.00 -1.78 -2.89 119.26 114.96 2x9t h ALA 80 Ca 0.45 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 55.17 2x9t h ALA 80 Cb 0.29 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2x9t h ALA 80 CO -0.21 -0.98 -0.08 1.25 0.00 0.00 0.00 179.25 179.23 2x9t h LEU 81 N -1.16 -0.25 0.27 0.00 5.85 -1.63 -1.63 115.31 116.76 2x9t h LEU 81 Ca -0.10 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2x9t h LEU 81 Cb 0.79 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 2x9t h LEU 81 CO 0.17 -0.10 -0.49 -0.29 -0.34 0.00 0.00 178.44 177.39 2x9t h ILE 82 N -0.07 0.06 0.51 4.05 -0.00 -0.89 -2.42 117.51 118.75 2x9t h ILE 82 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 64.86 64.92 2x9t h ILE 82 Cb 0.19 0.06 0.01 0.00 -0.00 0.00 0.00 36.82 37.07 2x9t h ILE 82 CO -0.18 0.00 -0.25 -0.08 -0.00 0.00 0.00 178.15 177.64 2x9t h GLU 83 N -0.82 -0.66 0.00 2.19 4.81 -1.49 0.83 114.58 119.44 2x9t h GLU 83 Ca -0.02 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 2x9t h GLU 83 Cb 0.78 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.31 2x9t h GLU 83 CO -0.18 -0.36 0.00 1.63 -0.73 0.00 0.00 179.01 179.36 2x9t n LYS 84 N -5.30 0.00 0.00 1.92 5.02 -0.62 -0.36 118.16 118.82 2x9t n LYS 84 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2x9t n LYS 84 Cb 0.32 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2x9t n LYS 84 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2x9t n LEU 85 N -0.94 0.00 -1.87 -0.35 0.00 -0.91 -5.04 117.00 107.89 2x9t n LEU 85 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 56.01 55.99 2x9t n LEU 85 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2x9t n LEU 85 CO 0.00 0.00 0.03 0.61 0.00 0.00 0.00 177.39 178.03 2x9t n GLY 86 N 2.11 -0.81 0.00 -3.96 0.00 0.29 -5.06 105.19 97.76 2x9t n GLY 86 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2x9t n GLY 86 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2x9t n ILE 87 N -0.58 0.00 -3.60 -0.61 -5.35 -1.10 -5.03 119.36 103.10 2x9t n ILE 87 Ca 0.03 0.00 -0.21 0.00 -0.27 0.00 0.00 62.75 62.30 2x9t n ILE 87 Cb 0.19 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.09 2x9t n ILE 87 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2x9t n ARG 88 N 0.00 -1.56 0.00 6.28 5.12 -1.26 -4.87 116.66 120.37 2x9t n ARG 88 Ca 0.00 1.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.92 2x9t n ARG 88 Cb 0.00 -3.02 0.00 0.00 -1.16 0.00 0.00 32.46 28.28 2x9t n ARG 88 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11