#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9f s VAL 2 N 0.00 2.49 0.41 1.12 -7.23 -1.26 -4.92 120.40 111.00 2k9f s VAL 2 Ca 0.00 -3.83 0.25 0.00 -1.81 0.00 0.00 61.98 56.59 2k9f s VAL 2 Cb 0.00 -2.66 0.27 0.00 0.56 0.00 0.00 36.38 34.55 2k9f s VAL 2 CO 0.00 -0.98 2.04 1.55 -0.31 0.00 0.00 175.10 177.40 2k9f h PRO 3 N 5.71 0.00 -0.28 4.82 0.13 -2.00 -2.85 132.00 137.53 2k9f h PRO 3 Ca 0.11 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.23 2k9f h PRO 3 Cb 0.81 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 2k9f h PRO 3 CO 0.66 0.14 0.15 1.25 -0.23 0.00 0.00 178.00 179.98 2k9f h HIS 4 N 0.00 0.39 -0.73 1.56 -0.00 -1.99 -2.06 115.15 112.33 2k9f h HIS 4 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 2k9f h HIS 4 Cb 0.36 -0.13 -0.04 0.00 -0.00 0.00 0.00 27.41 27.61 2k9f h HIS 4 CO 0.00 0.33 0.45 1.15 -0.00 0.00 0.00 177.93 179.87 2k9f h THR 5 N 0.34 1.20 -0.22 6.26 2.02 -1.93 0.14 112.91 120.72 2k9f h THR 5 Ca 0.10 -0.41 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 2k9f h THR 5 Cb 0.07 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.64 2k9f h THR 5 CO -0.02 0.20 -0.07 0.25 0.37 0.00 0.00 175.52 176.25 2k9f h LEU 6 N 0.99 0.31 0.00 2.58 5.85 -1.52 -2.16 115.31 121.36 2k9f h LEU 6 Ca 0.26 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.80 2k9f h LEU 6 Cb -0.06 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2k9f h LEU 6 CO -0.05 0.43 -0.72 0.28 -0.34 0.00 0.00 178.44 178.04 2k9f h SER 7 N 0.32 0.00 0.38 1.25 0.02 -0.61 -3.24 113.55 111.67 2k9f h SER 7 Ca 0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 2k9f h SER 7 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2k9f h SER 7 CO 0.02 0.56 -0.19 0.74 -1.14 0.00 0.00 176.83 176.82 2k9f h THR 8 N 0.00 0.81 -2.26 -2.27 2.02 -0.09 -3.38 112.91 107.74 2k9f h THR 8 Ca -0.03 -0.75 -0.58 0.00 0.77 0.00 0.00 66.41 65.81 2k9f h THR 8 Cb 1.46 1.45 0.05 0.00 -1.74 0.00 0.00 68.15 69.36 2k9f h THR 8 CO 0.07 0.19 0.87 0.18 0.37 0.00 0.00 175.52 177.20 2k9f n LEU 9 N -3.83 3.24 -4.51 2.58 7.99 -1.14 -4.88 117.00 116.45 2k9f n LEU 9 Ca -0.02 1.06 -0.30 0.00 -0.01 0.00 0.00 56.01 56.74 2k9f n LEU 9 Cb 0.29 -1.43 -0.11 0.00 -0.11 0.00 0.00 43.42 42.06 2k9f n LEU 9 CO 0.33 -0.21 -0.47 -0.54 -1.51 0.00 0.00 177.39 174.99 2k9f s LYS 10 N 1.57 1.89 0.72 3.23 3.01 -1.26 -0.01 119.74 128.89 2k9f s LYS 10 Ca 0.81 -1.13 -0.04 0.00 -1.01 0.00 0.00 55.97 54.61 2k9f s LYS 10 Cb -0.66 -2.16 0.11 0.00 -1.01 0.00 0.00 37.83 34.10 2k9f s LYS 10 CO 0.40 0.49 1.00 0.95 0.51 0.00 0.00 175.35 178.70 2k9f s THR 11 N -1.14 2.24 0.27 2.17 -4.23 0.74 -0.04 115.64 115.65 2k9f s THR 11 Ca 0.18 -0.47 0.37 0.00 -1.18 0.00 0.00 61.69 60.60 2k9f s THR 11 Cb -0.11 -2.77 0.40 0.00 1.34 0.00 0.00 72.50 71.36 2k9f s THR 11 CO 0.11 0.00 2.11 0.00 -0.54 0.00 0.00 174.62 176.29 2k9f h ALA 12 N -0.58 1.00 -0.32 3.99 0.00 -0.85 0.15 119.26 122.65 2k9f h ALA 12 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k9f h ALA 12 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2k9f h ALA 12 CO 0.46 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.24 2k9f n ASP 13 N -2.98 1.82 -1.88 0.00 2.03 -1.26 -4.89 116.55 109.39 2k9f n ASP 13 Ca -0.01 -1.95 -0.16 0.00 0.52 0.00 0.00 54.79 53.19 2k9f n ASP 13 Cb 0.19 -0.21 -0.00 0.00 -0.72 0.00 0.00 41.12 40.37 2k9f n ASP 13 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2k9f n ASN 14 N 0.48 -4.79 -4.50 1.67 5.15 0.04 -5.01 115.26 108.30 2k9f n ASN 14 Ca 0.12 -0.04 -0.33 0.00 -0.60 0.00 0.00 54.58 53.73 2k9f n ASN 14 Cb 0.30 -3.88 -0.12 0.00 -0.53 0.00 0.00 39.78 35.54 2k9f n ASN 14 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2k9f s ARG 15 N -4.86 2.83 0.35 1.20 0.52 -1.25 -4.83 118.95 112.90 2k9f s ARG 15 Ca 0.03 -0.62 -0.28 0.00 -0.52 0.00 0.00 55.73 54.33 2k9f s ARG 15 Cb -0.01 -2.54 -0.12 0.00 0.52 0.00 0.00 34.95 32.80 2k9f s ARG 15 CO 0.03 0.55 1.38 -2.30 0.02 0.00 0.00 175.30 174.98 2k9f n PRO 16 N 2.56 2.35 0.00 3.54 -0.02 -1.26 -0.18 135.00 141.99 2k9f n PRO 16 Ca -0.18 0.83 0.03 0.00 -2.02 0.00 0.00 63.50 62.16 2k9f n PRO 16 Cb 0.53 -2.47 0.14 0.00 -0.02 0.00 0.00 33.50 31.67 2k9f n PRO 16 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k9f n ALA 17 N 0.54 1.28 0.29 3.55 0.00 0.99 -2.49 120.51 124.66 2k9f n ALA 17 Ca 0.04 -0.02 0.19 0.00 0.00 0.00 0.00 53.44 53.65 2k9f n ALA 17 Cb 0.37 -1.10 1.03 0.00 0.00 0.00 0.00 19.45 19.74 2k9f n ALA 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k9f h SER 18 N 0.00 0.00 0.25 0.00 0.87 -1.81 -0.92 113.55 111.93 2k9f h SER 18 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k9f h SER 18 Cb 0.10 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.06 2k9f h SER 18 CO 0.00 0.00 0.00 -0.37 -0.53 0.00 0.00 176.83 175.93 2k9f h VAL 19 N 0.00 0.00 0.00 2.23 -1.51 -1.86 -1.01 116.25 114.09 2k9f h VAL 19 Ca 0.00 -0.09 -0.02 0.00 -1.23 0.00 0.00 66.70 65.36 2k9f h VAL 19 Cb 0.01 0.71 -0.04 0.00 -2.13 0.00 0.00 31.29 29.85 2k9f h VAL 19 CO 0.00 0.00 -0.33 -1.22 -1.23 0.00 0.00 177.57 174.79 2k9f n TYR 20 N -2.38 0.00 -2.05 5.19 4.01 -0.35 -4.71 117.16 116.87 2k9f n TYR 20 Ca -0.01 -0.79 0.04 0.00 -0.16 0.00 0.00 57.90 56.99 2k9f n TYR 20 Cb 0.10 -0.14 0.08 0.00 -0.31 0.00 0.00 39.34 39.07 2k9f n TYR 20 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2k9f n LEU 21 N -0.82 1.39 -4.71 7.72 4.77 -0.39 -4.82 117.00 120.14 2k9f n LEU 21 Ca 0.12 -2.41 -0.30 0.00 -0.03 0.00 0.00 56.01 53.38 2k9f n LEU 21 Cb 0.72 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 2k9f n LEU 21 CO -0.01 0.71 -0.24 -0.54 -1.33 0.00 0.00 177.39 175.98 2k9f s LYS 22 N -1.10 2.11 -0.68 3.23 1.02 -1.21 -4.73 119.74 118.39 2k9f s LYS 22 Ca 0.29 -2.23 0.00 0.00 0.02 0.00 0.00 55.97 54.05 2k9f s LYS 22 Cb 0.31 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 35.98 2k9f s LYS 22 CO -0.10 -0.24 0.00 1.63 -0.92 0.00 0.00 175.35 175.73 2k9f n LYS 23 N -1.18 -0.90 -3.67 1.68 5.02 -1.26 -3.45 118.16 114.40 2k9f n LYS 23 Ca -0.12 0.62 -0.22 0.00 -2.02 0.00 0.00 58.31 56.58 2k9f n LYS 23 Cb 0.67 -4.53 0.04 0.00 -0.02 0.00 0.00 35.03 31.19 2k9f n LYS 23 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k9f n ASP 24 N -0.12 -1.74 -4.54 4.39 9.92 -1.26 -4.99 116.55 118.20 2k9f n ASP 24 Ca -0.06 -0.82 -0.32 0.00 -0.53 0.00 0.00 54.79 53.05 2k9f n ASP 24 Cb 0.32 -4.11 -0.11 0.00 -0.64 0.00 0.00 41.12 36.58 2k9f n ASP 24 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2k9f s LYS 25 N -5.87 2.45 0.27 -1.24 -0.14 -1.22 -4.71 119.74 109.27 2k9f s LYS 25 Ca 0.06 -0.76 -0.31 0.00 -1.36 0.00 0.00 55.97 53.60 2k9f s LYS 25 Cb -0.01 -2.41 -0.12 0.00 -1.68 0.00 0.00 37.83 33.60 2k9f s LYS 25 CO 0.81 0.60 1.61 -0.35 -0.76 0.00 0.00 175.35 177.25 2k9f n PRO 26 N 1.73 2.66 -4.25 -1.68 -0.04 -1.26 -4.55 135.00 127.61 2k9f n PRO 26 Ca -0.16 0.95 -0.33 0.00 -0.04 0.00 0.00 63.50 63.92 2k9f n PRO 26 Cb 0.52 -2.73 -0.08 0.00 -0.04 0.00 0.00 33.50 31.16 2k9f n PRO 26 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2k9f s THR 27 N 0.22 4.33 -0.37 0.52 2.01 -0.24 -0.61 115.64 121.50 2k9f s THR 27 Ca 0.67 -0.48 0.03 0.00 0.31 0.00 0.00 61.69 62.22 2k9f s THR 27 Cb -0.51 -2.92 0.11 0.00 0.01 0.00 0.00 72.50 69.18 2k9f s THR 27 CO 0.45 0.42 0.10 -0.22 -0.69 0.00 0.00 174.62 174.68 2k9f s LEU 28 N -1.46 4.38 -0.40 4.42 2.96 0.14 0.46 118.68 129.17 2k9f s LEU 28 Ca 0.19 -2.27 -0.22 0.00 -0.22 0.00 0.00 54.13 51.61 2k9f s LEU 28 Cb -0.12 -1.54 0.02 0.00 0.50 0.00 0.00 46.19 45.05 2k9f s LEU 28 CO 0.09 -0.35 0.72 -0.63 -1.32 0.00 0.00 176.35 174.86 2k9f s ILE 29 N 0.74 4.76 -0.24 6.68 1.01 0.09 -0.93 121.20 133.32 2k9f s ILE 29 Ca 0.12 0.52 -0.07 0.00 0.00 0.00 0.00 60.65 61.22 2k9f s ILE 29 Cb -0.20 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.03 2k9f s ILE 29 CO -0.08 -0.53 0.06 -0.75 0.00 0.00 0.00 174.94 173.64 2k9f s LYS 30 N 3.02 3.65 -0.14 2.79 2.36 0.31 0.26 119.74 132.00 2k9f s LYS 30 Ca 0.28 -0.48 -0.20 0.00 -2.55 0.00 0.00 55.97 53.01 2k9f s LYS 30 Cb -0.13 -3.28 -0.04 0.00 -1.05 0.00 0.00 37.83 33.33 2k9f s LYS 30 CO 0.19 -0.15 0.55 -0.06 1.55 0.00 0.00 175.35 177.43 2k9f s PHE 31 N 1.49 3.48 0.44 4.03 0.40 0.21 -0.74 117.98 127.30 2k9f s PHE 31 Ca 0.06 0.95 0.04 0.00 -0.60 0.00 0.00 56.93 57.37 2k9f s PHE 31 Cb -0.15 -2.66 -0.05 0.00 0.51 0.00 0.00 43.02 40.67 2k9f s PHE 31 CO 0.03 0.05 0.02 1.67 0.70 0.00 0.00 175.22 177.69 2k9f s TRP 32 N 1.05 2.16 -0.03 0.36 1.48 -1.16 -3.12 118.94 119.69 2k9f s TRP 32 Ca 0.28 -0.85 0.06 0.00 -1.06 0.00 0.00 56.10 54.53 2k9f s TRP 32 Cb -0.16 -1.63 -0.01 0.00 -1.16 0.00 0.00 33.47 30.51 2k9f s TRP 32 CO 0.12 0.27 -0.19 0.00 -4.06 0.00 0.00 176.95 173.09 2k9f s ALA 33 N -2.86 1.64 -0.07 2.67 0.00 -1.26 -4.77 121.76 117.12 2k9f s ALA 33 Ca 0.23 -0.82 -0.25 0.00 0.00 0.00 0.00 51.96 51.12 2k9f s ALA 33 Cb 0.06 -0.46 -0.26 0.00 0.00 0.00 0.00 23.12 22.47 2k9f s ALA 33 CO 0.12 0.37 0.95 0.77 0.00 0.00 0.00 175.76 177.96 2k9f h SER 34 N 5.83 0.23 -0.40 0.00 0.02 -2.01 -3.32 113.55 113.90 2k9f h SER 34 Ca -0.36 -0.86 -0.20 0.00 -0.84 0.00 0.00 61.79 59.53 2k9f h SER 34 Cb 1.15 -0.07 -0.12 0.00 0.14 0.00 0.00 62.40 63.50 2k9f h SER 34 CO 0.48 1.06 0.25 -2.67 -1.14 0.00 0.00 176.83 174.81 2k9f n TRP 35 N -4.45 1.25 -4.76 3.45 -0.00 -1.26 -4.84 117.44 106.84 2k9f n TRP 35 Ca -0.11 -1.00 -0.32 0.00 -0.00 0.00 0.00 57.50 56.07 2k9f n TRP 35 Cb 0.56 -0.52 -0.16 0.00 -0.00 0.00 0.00 31.31 31.19 2k9f n TRP 35 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2k9f h PRO 37 N 7.21 0.75 -0.48 0.00 0.13 -1.91 -1.61 132.00 136.09 2k9f h PRO 37 Ca -0.30 -0.13 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 2k9f h PRO 37 Cb 1.20 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 2k9f h PRO 37 CO 0.54 0.65 0.25 -0.07 -0.23 0.00 0.00 178.00 179.14 2k9f h LEU 38 N 0.67 0.62 -1.30 1.56 3.38 -1.96 -2.39 115.31 115.89 2k9f h LEU 38 Ca 0.17 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2k9f h LEU 38 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2k9f h LEU 38 CO -0.02 0.55 -0.34 0.00 0.09 0.00 0.00 178.44 178.73 2k9f h LEU 40 N 0.00 0.58 -0.93 0.00 3.38 -0.78 -2.37 115.31 115.18 2k9f h LEU 40 Ca -0.00 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 2k9f h LEU 40 Cb 0.65 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2k9f h LEU 40 CO 0.04 0.61 -0.46 0.28 0.09 0.00 0.00 178.44 179.00 2k9f h SER 41 N 0.51 0.16 0.22 -0.43 0.02 -1.32 -2.74 113.55 109.98 2k9f h SER 41 Ca 0.13 -0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2k9f h SER 41 Cb 0.22 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 2k9f h SER 41 CO -0.01 0.61 -0.17 -0.08 -1.14 0.00 0.00 176.83 176.04 2k9f h GLU 42 N 0.13 0.00 -0.78 3.45 4.22 -1.04 -2.64 114.58 117.91 2k9f h GLU 42 Ca 0.01 0.00 0.04 0.00 0.08 0.00 0.00 59.36 59.49 2k9f h GLU 42 Cb 0.87 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 2k9f h GLU 42 CO 0.07 0.17 0.49 -0.07 -2.18 0.00 0.00 179.01 177.49 2k9f h LEU 43 N 0.00 0.78 -0.45 1.64 3.38 -1.11 0.14 115.31 119.69 2k9f h LEU 43 Ca -0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2k9f h LEU 43 Cb 0.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2k9f h LEU 43 CO 0.02 0.52 0.19 1.23 0.09 0.00 0.00 178.44 180.49 2k9f h GLY 44 N 0.92 0.72 1.57 0.83 0.00 -1.60 -2.14 103.07 103.37 2k9f h GLY 44 Ca 0.33 -0.38 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 2k9f h GLY 44 CO -0.14 0.36 -0.11 -1.61 0.00 0.00 0.00 176.54 175.04 2k9f h GLN 45 N 0.59 0.52 -0.29 4.80 4.15 -1.42 -2.42 115.11 121.04 2k9f h GLN 45 Ca 0.15 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k9f h GLN 45 Cb 0.18 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 2k9f h GLN 45 CO -0.01 0.63 0.16 1.15 -1.93 0.00 0.00 178.83 178.83 2k9f h THR 46 N 0.48 1.12 -0.71 2.39 2.02 -0.29 0.14 112.91 118.06 2k9f h THR 46 Ca 0.09 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 2k9f h THR 46 Cb 0.48 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2k9f h THR 46 CO 0.03 0.12 0.26 -0.08 0.37 0.00 0.00 175.52 176.21 2k9f h GLU 47 N 0.36 1.08 -0.17 6.66 4.81 -1.20 -0.31 114.58 125.81 2k9f h GLU 47 Ca 0.10 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.11 2k9f h GLU 47 Cb 0.04 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 2k9f h GLU 47 CO -0.02 0.91 0.05 -0.22 -0.73 0.00 0.00 179.01 179.00 2k9f h LYS 48 N 1.03 0.27 -0.27 1.92 3.64 -1.11 -2.92 116.57 119.13 2k9f h LYS 48 Ca 0.23 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.49 2k9f h LYS 48 Cb 0.25 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2k9f h LYS 48 CO -0.01 0.40 -0.10 -1.49 -2.27 0.00 0.00 179.45 175.97 2k9f h TRP 49 N 0.10 0.47 0.00 1.91 4.06 -0.56 -1.61 115.95 120.32 2k9f h TRP 49 Ca 0.06 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 60.94 2k9f h TRP 49 Cb 0.24 -0.13 0.00 0.00 -1.00 0.00 0.00 29.16 28.27 2k9f h TRP 49 CO 0.00 0.54 0.00 0.00 -3.56 0.00 0.00 178.44 175.43 2k9f n ALA 50 N -2.48 1.85 -0.09 1.49 0.00 -0.14 -1.80 120.51 119.34 2k9f n ALA 50 Ca 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.41 2k9f n ALA 50 Cb 0.30 -1.26 0.11 0.00 0.00 0.00 0.00 19.45 18.60 2k9f n ALA 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2k9f n GLN 51 N -1.31 2.65 -3.11 0.00 1.13 -0.62 -4.80 117.38 111.32 2k9f n GLN 51 Ca 0.07 -1.82 -0.35 0.00 -1.94 0.00 0.00 57.00 52.96 2k9f n GLN 51 Cb 0.13 -1.20 -0.06 0.00 0.11 0.00 0.00 30.24 29.23 2k9f n GLN 51 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2k9f s ASP 52 N -0.97 6.96 0.40 1.08 -1.08 -0.75 -4.98 116.67 117.33 2k9f s ASP 52 Ca 0.17 1.37 0.09 0.00 -0.52 0.00 0.00 52.55 53.66 2k9f s ASP 52 Cb 0.09 -2.40 0.84 0.00 -1.46 0.00 0.00 42.92 39.98 2k9f s ASP 52 CO 0.12 -0.06 1.97 0.00 0.52 0.00 0.00 175.17 177.71 2k9f h ALA 53 N 2.98 1.59 -0.07 3.66 0.00 -1.95 -1.73 119.26 123.74 2k9f h ALA 53 Ca -0.48 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.04 2k9f h ALA 53 Cb 1.19 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2k9f h ALA 53 CO 0.65 0.30 -0.90 0.87 0.00 0.00 0.00 179.25 180.17 2k9f h LYS 54 N 0.28 0.70 0.00 0.00 1.79 -1.93 -3.21 116.57 114.19 2k9f h LYS 54 Ca 0.06 -0.65 -0.00 0.00 -2.18 0.00 0.00 60.65 57.87 2k9f h LYS 54 Cb 0.25 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.06 2k9f h LYS 54 CO 0.01 1.25 -0.02 0.74 -1.08 0.00 0.00 179.45 180.35 2k9f h PHE 55 N 0.44 0.00 0.00 -1.35 0.04 -1.74 -3.08 116.94 111.24 2k9f h PHE 55 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2k9f h PHE 55 Cb 1.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.69 2k9f h PHE 55 CO 0.09 0.02 0.00 0.43 -0.60 0.00 0.00 178.31 178.25 2k9f n SER 56 N -3.11 0.00 0.20 2.17 7.64 -0.68 -1.49 113.62 118.35 2k9f n SER 56 Ca 0.02 0.22 0.13 0.00 1.01 0.00 0.00 58.87 60.26 2k9f n SER 56 Cb 0.44 -0.33 0.35 0.00 -1.01 0.00 0.00 64.21 63.66 2k9f n SER 56 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k9f h SER 57 N 0.00 0.00 -4.74 6.43 0.02 -1.71 -3.46 113.55 110.09 2k9f h SER 57 Ca 0.00 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 2k9f h SER 57 Cb 0.10 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 62.52 2k9f h SER 57 CO 0.00 0.00 -0.43 0.00 -1.14 0.00 0.00 176.83 175.26 2k9f n ALA 58 N -2.00 0.46 -3.78 3.77 0.00 -0.55 -4.68 120.51 113.73 2k9f n ALA 58 Ca 0.04 -1.97 -0.36 0.00 0.00 0.00 0.00 53.44 51.15 2k9f n ALA 58 Cb 0.44 1.21 -0.12 0.00 0.00 0.00 0.00 19.45 20.98 2k9f n ALA 58 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2k9f s ASN 59 N -3.39 5.23 -0.10 0.00 0.01 0.22 -5.00 114.94 111.91 2k9f s ASN 59 Ca 0.11 -2.01 -0.21 0.00 -0.71 0.00 0.00 52.86 50.04 2k9f s ASN 59 Cb 0.01 -1.82 -0.04 0.00 0.41 0.00 0.00 41.25 39.81 2k9f s ASN 59 CO 0.07 -0.53 0.60 -0.22 -1.51 0.00 0.00 177.10 175.51 2k9f s LEU 60 N 1.14 4.28 0.05 0.60 0.20 -1.26 0.28 118.68 123.97 2k9f s LEU 60 Ca 0.08 0.99 0.01 0.00 0.69 0.00 0.00 54.13 55.90 2k9f s LEU 60 Cb -0.23 -2.90 -0.03 0.00 -0.43 0.00 0.00 46.19 42.60 2k9f s LEU 60 CO -0.04 -0.08 -0.05 0.27 -0.29 0.00 0.00 176.35 176.16 2k9f s ILE 61 N 0.84 0.37 -0.32 6.68 -4.36 -0.10 -4.83 121.20 119.48 2k9f s ILE 61 Ca 0.32 -1.49 -0.03 0.00 -0.26 0.00 0.00 60.65 59.19 2k9f s ILE 61 Cb -0.16 -1.09 0.05 0.00 1.25 0.00 0.00 42.46 42.51 2k9f s ILE 61 CO 0.14 -0.73 0.04 0.42 0.24 0.00 0.00 174.94 175.05 2k9f s THR 62 N -2.78 3.26 -0.05 8.37 -4.23 -0.03 -0.53 115.64 119.65 2k9f s THR 62 Ca -0.01 -1.34 0.02 0.00 -1.18 0.00 0.00 61.69 59.18 2k9f s THR 62 Cb -0.00 -2.88 -0.03 0.00 1.34 0.00 0.00 72.50 70.92 2k9f s THR 62 CO -0.05 -0.16 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.10 2k9f s VAL 63 N 1.29 3.59 0.04 2.29 1.01 0.08 0.41 120.40 129.12 2k9f s VAL 63 Ca -0.03 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2k9f s VAL 63 Cb -0.20 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 2k9f s VAL 63 CO 0.00 0.55 -0.08 0.00 0.00 0.00 0.00 175.10 175.57 2k9f s ALA 64 N -0.84 0.63 -0.49 5.51 0.00 -0.73 -2.98 121.76 122.85 2k9f s ALA 64 Ca 0.13 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.26 2k9f s ALA 64 Cb -0.11 0.02 0.13 0.00 0.00 0.00 0.00 23.12 23.16 2k9f s ALA 64 CO 0.03 0.00 0.32 -1.12 0.00 0.00 0.00 175.76 174.99 2k9f s SER 65 N -1.54 5.49 0.13 0.00 0.01 -1.26 -0.72 113.70 115.81 2k9f s SER 65 Ca -0.09 -2.16 -0.32 0.00 1.31 0.00 0.00 55.95 54.70 2k9f s SER 65 Cb -0.10 -1.92 -0.12 0.00 0.21 0.00 0.00 66.02 64.10 2k9f s SER 65 CO 0.01 -0.57 1.77 -0.81 0.41 0.00 0.00 173.24 174.04 2k9f n PRO 66 N 4.50 2.60 0.00 12.44 -0.04 -1.22 -2.28 135.00 151.00 2k9f n PRO 66 Ca -0.02 0.94 0.00 0.00 -0.04 0.00 0.00 63.50 64.38 2k9f n PRO 66 Cb 0.41 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 2k9f n PRO 66 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k9f n GLY 67 N 4.03 2.09 3.74 0.55 0.00 -0.72 -3.77 105.19 111.12 2k9f n GLY 67 Ca 0.18 -0.23 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 2k9f n GLY 67 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k9f s PHE 68 N -0.62 3.09 -1.73 1.61 5.36 -0.97 -2.58 117.98 122.13 2k9f s PHE 68 Ca 0.00 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.01 2k9f s PHE 68 Cb 0.00 -3.77 0.00 0.00 -0.34 0.00 0.00 43.02 38.91 2k9f s PHE 68 CO 0.00 -2.51 0.00 1.28 -1.46 0.00 0.00 175.22 172.53 2k9f n LEU 69 N 2.57 -1.86 -0.59 6.12 7.99 -1.26 -1.74 117.00 128.23 2k9f n LEU 69 Ca 0.07 0.02 -0.07 0.00 -0.01 0.00 0.00 56.01 56.02 2k9f n LEU 69 Cb 0.41 -2.87 -0.03 0.00 -0.11 0.00 0.00 43.42 40.82 2k9f n LEU 69 CO 0.60 -0.24 -0.07 1.57 -1.51 0.00 0.00 177.39 177.74 2k9f n HIS 70 N -3.91 -0.04 -1.54 -1.77 -0.00 -1.07 -5.03 115.22 101.86 2k9f n HIS 70 Ca -0.24 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.18 2k9f n HIS 70 Cb 0.68 -1.60 0.21 0.00 -0.00 0.00 0.00 29.99 29.29 2k9f n HIS 70 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2k9f s GLU 71 N -2.81 -0.28 0.11 1.57 0.41 -0.71 -4.92 118.70 112.06 2k9f s GLU 71 Ca 0.00 -0.28 -0.31 0.00 -0.41 0.00 0.00 54.97 53.97 2k9f s GLU 71 Cb 0.00 -1.73 -0.10 0.00 -1.78 0.00 0.00 34.13 30.53 2k9f s GLU 71 CO 0.00 -3.05 1.79 0.15 -0.49 0.00 0.00 175.26 173.66 2k9f s LYS 72 N -5.69 4.15 0.81 1.61 -0.14 -1.26 -3.06 119.74 116.16 2k9f s LYS 72 Ca 0.73 2.53 -0.13 0.00 -1.36 0.00 0.00 55.97 57.75 2k9f s LYS 72 Cb -0.06 -3.62 0.09 0.00 -1.68 0.00 0.00 37.83 32.55 2k9f s LYS 72 CO 0.54 -0.82 1.18 0.21 -0.76 0.00 0.00 175.35 175.70 2k9f s LYS 73 N 2.80 1.64 0.69 1.68 2.20 -1.26 -1.75 119.74 125.74 2k9f s LYS 73 Ca 0.80 1.65 -0.17 0.00 -0.36 0.00 0.00 55.97 57.89 2k9f s LYS 73 Cb -0.44 -1.79 0.01 0.00 -1.51 0.00 0.00 37.83 34.10 2k9f s LYS 73 CO 0.36 -2.19 1.22 -3.47 -0.36 0.00 0.00 175.35 170.91 2k9f n ASP 74 N -3.43 1.63 0.00 1.43 2.03 -1.26 -1.14 116.55 115.81 2k9f n ASP 74 Ca 0.13 0.76 0.00 0.00 0.52 0.00 0.00 54.79 56.20 2k9f n ASP 74 Cb 0.51 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.39 2k9f n ASP 74 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k9f n GLY 75 N 0.89 1.92 0.14 0.27 0.00 -1.26 -4.54 105.19 102.61 2k9f n GLY 75 Ca 0.15 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.64 2k9f n GLY 75 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2k9f h ASP 76 N 0.00 0.60 -0.46 1.61 1.82 -1.84 -3.31 116.42 114.84 2k9f h ASP 76 Ca 0.00 -0.89 0.04 0.00 -0.39 0.00 0.00 57.03 55.78 2k9f h ASP 76 Cb 0.00 -0.20 -0.04 0.00 0.68 0.00 0.00 39.33 39.77 2k9f h ASP 76 CO 0.00 1.75 0.23 0.15 -1.61 0.00 0.00 179.24 179.76 2k9f h PHE 77 N 0.11 0.42 -0.13 0.28 3.57 -1.36 -1.58 116.94 118.24 2k9f h PHE 77 Ca -0.33 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.15 2k9f h PHE 77 Cb 2.10 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.71 2k9f h PHE 77 CO 0.10 0.21 -0.10 -0.56 -2.23 0.00 0.00 178.31 175.73 2k9f h GLN 78 N 0.45 0.20 0.00 1.11 3.07 -1.85 -1.29 115.11 116.81 2k9f h GLN 78 Ca 0.20 -0.04 -0.04 0.00 0.09 0.00 0.00 58.65 58.86 2k9f h GLN 78 Cb 0.11 -0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.64 2k9f h GLN 78 CO -0.15 0.31 -0.20 0.87 0.09 0.00 0.00 178.83 179.75 2k9f h LYS 79 N 0.20 0.00 -0.22 0.06 1.57 -1.45 -2.46 116.57 114.26 2k9f h LYS 79 Ca 0.04 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 2k9f h LYS 79 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2k9f h LYS 79 CO 0.02 0.20 0.03 2.35 -0.57 0.00 0.00 179.45 181.48 2k9f h TRP 80 N 0.00 0.40 -0.06 -1.35 2.91 -0.30 -2.73 115.95 114.82 2k9f h TRP 80 Ca -0.00 -0.06 -0.15 0.00 1.13 0.00 0.00 58.89 59.81 2k9f h TRP 80 Cb 0.94 -0.11 -0.01 0.00 -0.51 0.00 0.00 29.16 29.47 2k9f h TRP 80 CO 0.00 0.52 -0.64 -0.92 -1.03 0.00 0.00 178.44 176.37 2k9f h TYR 81 N 0.16 0.30 -0.30 2.65 3.20 -1.48 -3.00 116.97 118.50 2k9f h TYR 81 Ca 0.07 -0.12 0.04 0.00 3.14 0.00 0.00 58.73 61.86 2k9f h TYR 81 Cb 0.34 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 2k9f h TYR 81 CO 0.02 0.80 0.20 0.00 -1.64 0.00 0.00 178.16 177.55 2k9f h ALA 82 N 1.17 2.01 -0.68 1.82 0.00 -1.28 -0.48 119.26 121.81 2k9f h ALA 82 Ca -0.01 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.70 2k9f h ALA 82 Cb 1.15 -0.05 -0.11 0.00 0.00 0.00 0.00 17.79 18.78 2k9f h ALA 82 CO 0.10 -0.06 0.24 0.41 0.00 0.00 0.00 179.25 179.93 2k9f n GLY 83 N -1.54 3.43 0.00 0.00 0.00 -1.04 -4.93 105.19 101.11 2k9f n GLY 83 Ca 0.03 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2k9f n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k9f n LEU 84 N -0.04 0.00 0.00 0.99 4.77 -0.19 -5.07 117.00 117.46 2k9f n LEU 84 Ca 0.37 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2k9f n LEU 84 Cb 1.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.40 2k9f n LEU 84 CO 0.40 -0.02 0.00 -3.20 -1.33 0.00 0.00 177.39 173.24 2k9f n ASN 85 N -0.26 1.86 -2.70 -1.43 2.85 -1.26 -4.97 115.26 109.35 2k9f n ASN 85 Ca 0.00 -0.89 -0.04 0.00 -0.11 0.00 0.00 54.58 53.54 2k9f n ASN 85 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 2k9f n ASN 85 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 2k9f n TYR 86 N -0.06 -2.78 1.64 1.20 4.01 -1.26 -4.90 117.16 115.01 2k9f n TYR 86 Ca 0.00 1.10 0.12 0.00 -0.16 0.00 0.00 57.90 58.96 2k9f n TYR 86 Cb 0.00 -3.69 0.72 0.00 -0.31 0.00 0.00 39.34 36.06 2k9f n TYR 86 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 2k9f n PRO 87 N -0.82 0.82 -0.19 -0.72 -0.04 -1.26 -2.47 135.00 130.32 2k9f n PRO 87 Ca 0.06 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.62 2k9f n PRO 87 Cb 0.43 -1.46 0.19 0.00 -0.04 0.00 0.00 33.50 32.62 2k9f n PRO 87 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2k9f n LYS 88 N -0.96 2.37 -2.85 0.54 4.81 -1.26 -4.92 118.16 115.89 2k9f n LYS 88 Ca 0.18 -2.14 -0.42 0.00 -0.87 0.00 0.00 58.31 55.06 2k9f n LYS 88 Cb 0.08 -1.42 -0.04 0.00 0.02 0.00 0.00 35.03 33.67 2k9f n LYS 88 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2k9f s LEU 89 N -1.20 4.04 -1.26 3.14 1.43 -1.03 -4.96 118.68 118.84 2k9f s LEU 89 Ca 0.33 0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 53.85 2k9f s LEU 89 Cb 0.19 -3.21 0.01 0.00 0.03 0.00 0.00 46.19 43.21 2k9f s LEU 89 CO 0.25 -0.78 1.90 -0.81 0.23 0.00 0.00 176.35 177.14 2k9f n PRO 90 N 6.59 2.65 -2.80 1.29 -0.04 -1.26 -4.94 135.00 136.48 2k9f n PRO 90 Ca 0.06 -2.84 -0.42 0.00 -0.04 0.00 0.00 63.50 60.26 2k9f n PRO 90 Cb 0.48 -3.45 -0.03 0.00 -0.04 0.00 0.00 33.50 30.46 2k9f n PRO 90 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2k9f s VAL 91 N 5.44 4.72 -0.05 0.52 1.01 -1.25 -0.85 120.40 129.93 2k9f s VAL 91 Ca 0.56 1.60 -0.02 0.00 0.00 0.00 0.00 61.98 64.12 2k9f s VAL 91 Cb 0.06 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2k9f s VAL 91 CO 0.06 -0.23 0.08 -0.69 0.00 0.00 0.00 175.10 174.31 2k9f s VAL 92 N 3.13 4.82 -0.38 2.92 1.01 0.16 -0.12 120.40 131.94 2k9f s VAL 92 Ca 0.38 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.07 2k9f s VAL 92 Cb -0.14 -3.14 0.06 0.00 0.00 0.00 0.00 36.38 33.16 2k9f s VAL 92 CO 0.10 0.48 0.19 -0.89 0.00 0.00 0.00 175.10 174.98 2k9f s THR 93 N -1.08 4.09 -0.78 3.92 2.01 0.94 -1.78 115.64 122.96 2k9f s THR 93 Ca 0.19 -1.23 -0.15 0.00 0.31 0.00 0.00 61.69 60.80 2k9f s THR 93 Cb -0.12 -3.41 0.18 0.00 0.01 0.00 0.00 72.50 69.17 2k9f s THR 93 CO 0.09 -0.34 0.78 -0.62 -0.69 0.00 0.00 174.62 173.84 2k9f s ASP 94 N 1.74 6.61 -0.32 3.53 -1.08 0.11 -4.13 116.67 123.13 2k9f s ASP 94 Ca 0.01 -2.35 -0.28 0.00 -0.52 0.00 0.00 52.55 49.41 2k9f s ASP 94 Cb -0.21 -2.25 -0.04 0.00 -1.46 0.00 0.00 42.92 38.96 2k9f s ASP 94 CO 0.03 -0.74 2.10 0.21 0.52 0.00 0.00 175.17 177.29 2k9f s ASN 95 N 2.72 5.42 0.00 -0.34 3.84 -1.26 -1.53 114.94 123.79 2k9f s ASN 95 Ca 0.18 1.50 0.00 0.00 0.21 0.00 0.00 52.86 54.75 2k9f s ASN 95 Cb -0.13 -2.51 0.00 0.00 -0.55 0.00 0.00 41.25 38.05 2k9f s ASN 95 CO -0.06 -2.05 0.00 0.61 -2.79 0.00 0.00 177.10 172.81 2k9f n GLY 96 N 5.70 0.81 2.12 1.21 0.00 -1.25 -4.39 105.19 109.39 2k9f n GLY 96 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.24 2k9f n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k9f n GLY 97 N -2.00 0.09 0.18 -0.02 0.00 -0.58 -4.81 105.19 98.05 2k9f n GLY 97 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 2k9f n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k9f h THR 98 N -0.57 1.23 0.14 2.61 2.02 -1.80 0.11 112.91 116.65 2k9f h THR 98 Ca -0.24 -0.80 -0.29 0.00 0.77 0.00 0.00 66.41 65.85 2k9f h THR 98 Cb 1.13 1.10 0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2k9f h THR 98 CO 0.19 0.27 -1.26 0.40 0.37 0.00 0.00 175.52 175.49 2k9f h ILE 99 N 0.40 1.36 -0.45 3.11 1.08 -1.94 -2.83 117.51 118.24 2k9f h ILE 99 Ca 0.10 -2.69 -0.00 0.00 -0.39 0.00 0.00 64.86 61.88 2k9f h ILE 99 Cb 0.33 2.81 -0.02 0.00 -3.07 0.00 0.00 36.82 36.87 2k9f h ILE 99 CO 0.00 0.80 0.27 0.00 -0.69 0.00 0.00 178.15 178.54 2k9f h ALA 100 N 0.41 0.58 -0.27 1.87 0.00 -1.92 -2.56 119.26 117.37 2k9f h ALA 100 Ca -0.17 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.52 2k9f h ALA 100 Cb 1.94 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 2k9f h ALA 100 CO 0.23 0.07 -0.44 0.37 0.00 0.00 0.00 179.25 179.48 2k9f h GLN 101 N 0.60 0.68 0.00 0.00 4.15 -0.85 0.22 115.11 119.90 2k9f h GLN 101 Ca 0.16 -0.37 -0.01 0.00 0.77 0.00 0.00 58.65 59.20 2k9f h GLN 101 Cb 0.00 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 2k9f h GLN 101 CO -0.03 0.98 -0.05 0.77 -1.93 0.00 0.00 178.83 178.57 2k9f h SER 102 N 0.55 0.00 -0.14 -0.69 0.02 -1.23 -1.27 113.55 110.78 2k9f h SER 102 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k9f h SER 102 Cb 0.98 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.52 2k9f h SER 102 CO 0.09 0.05 0.00 0.18 -1.14 0.00 0.00 176.83 176.01 2k9f n LEU 103 N -3.53 2.25 -3.79 5.07 4.77 -0.99 -4.99 117.00 115.80 2k9f n LEU 103 Ca -0.02 -1.44 -0.26 0.00 -0.03 0.00 0.00 56.01 54.26 2k9f n LEU 103 Cb 0.16 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2k9f n LEU 103 CO 0.27 0.51 0.05 -3.20 -1.33 0.00 0.00 177.39 173.68 2k9f n ASN 104 N 0.48 -3.38 -4.55 -1.43 5.15 -0.22 -4.90 115.26 106.40 2k9f n ASN 104 Ca 0.08 -0.77 -0.41 0.00 -0.60 0.00 0.00 54.58 52.87 2k9f n ASN 104 Cb 0.31 -4.09 -0.03 0.00 -0.53 0.00 0.00 39.78 35.45 2k9f n ASN 104 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2k9f s ILE 105 N -3.46 3.82 -0.22 -1.44 1.01 0.60 -4.82 121.20 116.69 2k9f s ILE 105 Ca 0.37 0.50 0.11 0.00 0.00 0.00 0.00 60.65 61.62 2k9f s ILE 105 Cb -0.18 -4.86 0.43 0.00 0.01 0.00 0.00 42.46 37.86 2k9f s ILE 105 CO 0.81 -1.71 1.26 -1.20 0.00 0.00 0.00 174.94 174.10 2k9f n SER 106 N 9.07 1.83 -3.51 3.58 7.64 -1.26 -4.83 113.62 126.13 2k9f n SER 106 Ca 0.04 -3.88 -0.17 0.00 1.01 0.00 0.00 58.87 55.87 2k9f n SER 106 Cb 0.49 -0.55 -0.05 0.00 -1.01 0.00 0.00 64.21 63.09 2k9f n SER 106 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k9f s VAL 107 N -3.24 0.00 0.11 0.44 0.11 -1.26 -5.18 120.40 111.39 2k9f s VAL 107 Ca 0.39 0.00 0.05 0.00 -2.93 0.00 0.00 61.98 59.49 2k9f s VAL 107 Cb 0.37 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2k9f s VAL 107 CO -0.06 0.00 -0.12 -0.31 -3.33 0.00 0.00 175.10 171.28 2k9f s TYR 108 N -1.47 1.26 0.17 1.54 2.02 -1.26 -4.16 117.35 115.45 2k9f s TYR 108 Ca -0.09 -0.61 -0.22 0.00 -0.37 0.00 0.00 57.07 55.79 2k9f s TYR 108 Cb -0.00 -0.67 -0.08 0.00 -0.40 0.00 0.00 41.96 40.81 2k9f s TYR 108 CO 0.07 0.09 0.72 -1.25 -1.57 0.00 0.00 175.55 173.60 2k9f s PRO 109 N -2.79 4.36 -0.13 -1.71 0.04 -1.26 -4.73 135.00 128.78 2k9f s PRO 109 Ca 0.08 0.96 0.02 0.00 0.04 0.00 0.00 61.00 62.10 2k9f s PRO 109 Cb -0.04 -3.09 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2k9f s PRO 109 CO 0.02 0.51 -0.19 -1.12 0.04 0.00 0.00 177.00 176.25 2k9f s SER 110 N -1.36 3.37 -0.37 6.66 0.01 -1.18 -2.11 113.70 118.72 2k9f s SER 110 Ca 0.38 -0.52 -0.08 0.00 1.31 0.00 0.00 55.95 57.03 2k9f s SER 110 Cb -0.20 -1.49 0.05 0.00 0.21 0.00 0.00 66.02 64.59 2k9f s SER 110 CO 0.23 0.11 0.17 0.26 0.41 0.00 0.00 173.24 174.42 2k9f s TRP 111 N 0.66 3.28 -0.34 2.43 0.52 0.13 -0.62 118.94 125.01 2k9f s TRP 111 Ca -0.10 -1.37 -0.17 0.00 0.02 0.00 0.00 56.10 54.48 2k9f s TRP 111 Cb -0.16 -2.52 -0.01 0.00 -1.15 0.00 0.00 33.47 29.63 2k9f s TRP 111 CO 0.02 -0.75 0.45 0.00 0.02 0.00 0.00 176.95 176.69 2k9f s ALA 112 N 1.44 3.50 -0.34 0.98 0.00 0.14 -0.64 121.76 126.84 2k9f s ALA 112 Ca 0.01 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 50.72 2k9f s ALA 112 Cb -0.20 -2.92 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 2k9f s ALA 112 CO 0.03 -1.10 0.62 -1.17 0.00 0.00 0.00 175.76 174.14 2k9f s LEU 113 N 2.23 4.22 -0.13 0.00 2.96 0.86 -0.73 118.68 128.09 2k9f s LEU 113 Ca 0.16 0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 54.26 2k9f s LEU 113 Cb -0.16 -2.77 -0.04 0.00 0.50 0.00 0.00 46.19 43.72 2k9f s LEU 113 CO 0.12 -0.54 0.04 -0.63 -1.32 0.00 0.00 176.35 174.03 2k9f s ILE 114 N 2.64 4.63 1.16 6.68 1.09 0.17 0.08 121.20 137.65 2k9f s ILE 114 Ca 0.24 -0.11 -0.19 0.00 -1.10 0.00 0.00 60.65 59.49 2k9f s ILE 114 Cb -0.15 -3.01 0.28 0.00 -1.06 0.00 0.00 42.46 38.51 2k9f s ILE 114 CO 0.13 0.55 1.18 -0.83 -0.10 0.00 0.00 174.94 175.87 2k9f s GLY 115 N -0.37 1.65 0.00 6.18 0.00 0.13 -1.08 107.32 113.83 2k9f s GLY 115 Ca 0.08 -1.10 0.18 0.00 0.00 0.00 0.00 44.72 43.88 2k9f s GLY 115 CO 0.02 -0.21 1.51 0.58 0.00 0.00 0.00 173.10 175.00 2k9f n LYS 116 N -4.55 0.31 0.00 2.90 2.85 -1.26 -1.85 118.16 116.56 2k9f n LYS 116 Ca 0.15 0.10 0.11 0.00 -1.05 0.00 0.00 58.31 57.62 2k9f n LYS 116 Cb 0.60 -1.50 0.05 0.00 -0.65 0.00 0.00 35.03 33.52 2k9f n LYS 116 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2k9f n ASP 117 N -1.23 2.00 0.00 -5.58 8.00 -1.26 -4.04 116.55 114.44 2k9f n ASP 117 Ca 0.09 -1.49 0.00 0.00 0.71 0.00 0.00 54.79 54.10 2k9f n ASP 117 Cb 0.12 0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 2k9f n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k9f n GLY 118 N 1.41 0.59 3.77 0.44 0.00 -0.77 -5.06 105.19 105.57 2k9f n GLY 118 Ca 0.10 -0.52 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 2k9f n GLY 118 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k9f s ASP 119 N -2.47 5.01 -0.07 1.61 -4.77 -1.26 -4.88 116.67 109.84 2k9f s ASP 119 Ca 0.00 -0.56 -0.30 0.00 -3.30 0.00 0.00 52.55 48.39 2k9f s ASP 119 Cb 0.00 -0.96 -0.04 0.00 -1.09 0.00 0.00 42.92 40.83 2k9f s ASP 119 CO 0.00 -0.20 1.36 -0.69 0.70 0.00 0.00 175.17 176.34 2k9f s VAL 120 N -2.31 3.96 -0.23 2.11 1.01 -1.26 0.23 120.40 123.90 2k9f s VAL 120 Ca 0.36 1.26 0.00 0.00 0.00 0.00 0.00 61.98 63.61 2k9f s VAL 120 Cb -0.05 -3.81 -0.15 0.00 0.00 0.00 0.00 36.38 32.37 2k9f s VAL 120 CO 0.24 -0.05 -0.22 1.67 0.00 0.00 0.00 175.10 176.74 2k9f n GLN 121 N 6.01 0.57 -3.51 2.72 7.27 0.11 -4.78 117.38 125.77 2k9f n GLN 121 Ca 0.14 0.14 -0.11 0.00 0.07 0.00 0.00 57.00 57.24 2k9f n GLN 121 Cb 0.44 -1.46 -0.02 0.00 2.41 0.00 0.00 30.24 31.62 2k9f n GLN 121 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2k9f s ARG 122 N -2.46 1.32 -0.05 3.69 6.06 -0.60 -5.01 118.95 121.89 2k9f s ARG 122 Ca -0.32 -0.55 -0.02 0.00 -2.50 0.00 0.00 55.73 52.35 2k9f s ARG 122 Cb 0.09 0.57 0.03 0.00 0.06 0.00 0.00 34.95 35.69 2k9f s ARG 122 CO 0.53 -0.59 0.03 -1.50 -2.50 0.00 0.00 175.30 171.27 2k9f s ILE 123 N -3.71 0.11 -0.31 4.11 1.10 -1.26 -0.10 121.20 121.13 2k9f s ILE 123 Ca 0.03 0.28 -0.01 0.00 -0.51 0.00 0.00 60.65 60.44 2k9f s ILE 123 Cb -0.02 -0.31 0.06 0.00 0.15 0.00 0.00 42.46 42.34 2k9f s ILE 123 CO -0.09 0.21 0.01 -0.69 -2.11 0.00 0.00 174.94 172.27 2k9f s VAL 124 N 2.00 2.86 -0.09 4.00 1.01 0.19 -5.00 120.40 125.36 2k9f s VAL 124 Ca 0.04 -1.58 0.02 0.00 0.00 0.00 0.00 61.98 60.45 2k9f s VAL 124 Cb -0.12 -2.73 -0.02 0.00 0.00 0.00 0.00 36.38 33.52 2k9f s VAL 124 CO -0.04 -0.21 -0.16 -1.59 0.00 0.00 0.00 175.10 173.10 2k9f s LYS 125 N 1.19 3.00 0.00 2.72 -2.85 -1.26 0.18 119.74 122.71 2k9f s LYS 125 Ca -0.03 -0.73 0.00 0.00 -1.00 0.00 0.00 55.97 54.21 2k9f s LYS 125 Cb -0.20 -2.48 0.00 0.00 -2.06 0.00 0.00 37.83 33.09 2k9f s LYS 125 CO -0.03 0.36 0.00 0.41 0.10 0.00 0.00 175.35 176.19 2k9f n GLY 126 N 3.09 2.00 3.43 0.59 0.00 -0.90 -5.03 105.19 108.37 2k9f n GLY 126 Ca -0.18 -0.53 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 2k9f n GLY 126 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k9f s SER 127 N -2.29 -0.57 0.23 1.61 0.01 -1.26 -3.98 113.70 107.45 2k9f s SER 127 Ca 0.00 0.05 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2k9f s SER 127 Cb 0.00 0.59 -0.04 0.00 0.21 0.00 0.00 66.02 66.78 2k9f s SER 127 CO 0.00 -0.94 0.13 0.27 0.41 0.00 0.00 173.24 173.11 2k9f s ILE 128 N -3.56 0.16 0.32 1.44 -5.25 -1.26 -5.07 121.20 107.97 2k9f s ILE 128 Ca 0.00 -2.00 -0.14 0.00 -0.99 0.00 0.00 60.65 57.52 2k9f s ILE 128 Cb -0.01 -2.54 0.02 0.00 2.95 0.00 0.00 42.46 42.89 2k9f s ILE 128 CO -0.11 0.00 0.64 0.54 -1.79 0.00 0.00 174.94 174.22 2k9f s ASN 129 N -3.22 0.07 0.24 4.36 2.20 -1.26 -5.05 114.94 112.28 2k9f s ASN 129 Ca 0.39 -1.01 -0.07 0.00 -0.94 0.00 0.00 52.86 51.23 2k9f s ASN 129 Cb 0.07 0.73 0.22 0.00 -2.00 0.00 0.00 41.25 40.27 2k9f s ASN 129 CO 0.13 -1.40 1.87 -0.08 -2.94 0.00 0.00 177.10 174.68 2k9f h GLU 130 N 2.08 1.28 -0.43 3.55 4.81 -2.02 -1.35 114.58 122.50 2k9f h GLU 130 Ca -0.27 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 2k9f h GLU 130 Cb 1.25 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.34 2k9f h GLU 130 CO 0.34 0.91 0.24 0.00 -0.73 0.00 0.00 179.01 179.77 2k9f h ALA 131 N 1.30 0.54 -0.39 2.92 0.00 -1.99 0.03 119.26 121.66 2k9f h ALA 131 Ca 0.33 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.12 2k9f h ALA 131 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2k9f h ALA 131 CO -0.06 -0.10 -0.24 1.96 0.00 0.00 0.00 179.25 180.82 2k9f h GLN 132 N 0.48 0.79 -0.13 0.00 4.20 -1.86 -1.17 115.11 117.41 2k9f h GLN 132 Ca 0.17 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.55 2k9f h GLN 132 Cb 0.04 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 2k9f h GLN 132 CO -0.09 0.95 0.07 0.00 -0.67 0.00 0.00 178.83 179.08 2k9f h ALA 133 N 1.05 0.17 -0.63 3.87 0.00 -0.70 0.11 119.26 123.12 2k9f h ALA 133 Ca 0.09 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2k9f h ALA 133 Cb 0.75 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2k9f h ALA 133 CO 0.06 -0.28 0.11 -0.07 0.00 0.00 0.00 179.25 179.07 2k9f h LEU 134 N 0.10 0.98 -0.56 0.00 3.38 -0.93 -2.58 115.31 115.70 2k9f h LEU 134 Ca 0.05 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2k9f h LEU 134 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 2k9f h LEU 134 CO -0.01 0.97 0.03 0.00 0.09 0.00 0.00 178.44 179.52 2k9f h ALA 135 N 1.15 0.75 -0.47 1.53 0.00 -0.94 -2.84 119.26 118.45 2k9f h ALA 135 Ca 0.20 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2k9f h ALA 135 Cb 0.40 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2k9f h ALA 135 CO 0.01 0.56 0.14 1.25 0.00 0.00 0.00 179.25 181.20 2k9f h LEU 136 N 0.86 0.63 -1.09 0.00 5.85 -0.55 0.48 115.31 121.48 2k9f h LEU 136 Ca 0.16 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.71 2k9f h LEU 136 Cb 0.50 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2k9f h LEU 136 CO 0.02 0.61 -0.40 0.40 -0.34 0.00 0.00 178.44 178.73 2k9f h ILE 137 N 0.67 1.08 0.04 4.05 2.04 -1.29 -3.23 117.51 120.87 2k9f h ILE 137 Ca 0.16 -1.47 -0.25 0.00 1.00 0.00 0.00 64.86 64.29 2k9f h ILE 137 Cb 0.21 1.84 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 2k9f h ILE 137 CO -0.01 0.39 -1.37 0.03 0.00 0.00 0.00 178.15 177.19 2k9f h ARG 138 N 0.00 0.08 -3.32 2.37 3.08 -1.13 -3.46 114.38 112.00 2k9f h ARG 138 Ca -0.00 -0.14 -0.49 0.00 0.07 0.00 0.00 59.98 59.42 2k9f h ARG 138 Cb 0.81 0.05 -0.40 0.00 0.08 0.00 0.00 29.97 30.51 2k9f h ARG 138 CO 0.05 1.07 -0.76 0.34 -1.07 0.00 0.00 179.97 179.60 2k9f s ASP 139 N -6.89 2.57 0.00 7.04 2.15 0.16 -5.00 116.67 116.70 2k9f s ASP 139 Ca -0.26 -0.68 0.13 0.00 0.43 0.00 0.00 52.55 52.17 2k9f s ASP 139 Cb 0.05 -0.42 0.78 0.00 -0.30 0.00 0.00 42.92 43.04 2k9f s ASP 139 CO 0.65 -0.32 1.25 -2.65 -0.17 0.00 0.00 175.17 173.93 2k9f n PRO 140 N 5.16 0.62 0.00 4.34 -0.02 -1.22 -2.33 135.00 141.56 2k9f n PRO 140 Ca -0.08 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.52 2k9f n PRO 140 Cb 0.48 -1.33 0.21 0.00 -0.02 0.00 0.00 33.50 32.84 2k9f n PRO 140 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2k9f n ASN 141 N -0.83 1.01 -4.72 2.55 3.02 -1.26 -4.89 115.26 110.15 2k9f n ASN 141 Ca 0.10 -0.80 -0.42 0.00 -0.03 0.00 0.00 54.58 53.43 2k9f n ASN 141 Cb 0.04 0.35 -0.03 0.00 -0.61 0.00 0.00 39.78 39.54 2k9f n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k9f s ALA 142 N -2.73 3.58 -0.02 5.41 0.00 -0.98 -5.02 121.76 121.99 2k9f s ALA 142 Ca 0.17 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.28 2k9f s ALA 142 Cb 0.18 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2k9f s ALA 142 CO 0.64 -0.60 -0.08 0.34 0.00 0.00 0.00 175.76 176.06 2k9f s ASP 143 N 0.88 1.04 0.00 0.00 2.15 -1.26 -4.94 116.67 114.54 2k9f s ASP 143 Ca 0.62 -0.16 0.00 0.00 0.43 0.00 0.00 52.55 53.44 2k9f s ASP 143 Cb -0.37 -0.24 0.00 0.00 -0.30 0.00 0.00 42.92 42.01 2k9f s ASP 143 CO 0.33 0.06 0.00 0.00 -0.17 0.00 0.00 175.17 175.39