#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9f n VAL 2 N 0.00 1.48 0.01 1.12 0.24 -1.26 -4.93 118.33 114.99 2k9f n VAL 2 Ca 0.00 -4.80 0.03 0.00 -2.04 0.00 0.00 64.34 57.53 2k9f n VAL 2 Cb 0.00 -2.10 0.39 0.00 -1.47 0.00 0.00 33.84 30.66 2k9f n VAL 2 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2k9f h PRO 3 N 4.94 0.51 -0.49 7.34 0.13 -1.98 -1.84 132.00 140.61 2k9f h PRO 3 Ca 0.17 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.22 2k9f h PRO 3 Cb 0.74 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.75 2k9f h PRO 3 CO 0.71 0.41 0.19 1.12 -0.23 0.00 0.00 178.00 180.19 2k9f h HIS 4 N 0.51 0.76 -0.42 1.56 2.07 -1.98 -0.92 115.15 116.73 2k9f h HIS 4 Ca 0.13 -0.06 -0.15 0.00 -2.85 0.00 0.00 60.37 57.44 2k9f h HIS 4 Cb 0.07 -0.23 -0.01 0.00 2.57 0.00 0.00 27.41 29.82 2k9f h HIS 4 CO 0.00 0.64 -0.33 1.15 -3.07 0.00 0.00 177.93 176.32 2k9f h THR 5 N 0.65 1.27 -0.36 6.12 2.02 -1.89 -2.07 112.91 118.65 2k9f h THR 5 Ca 0.16 -1.50 -0.03 0.00 0.77 0.00 0.00 66.41 65.81 2k9f h THR 5 Cb 0.21 1.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.90 2k9f h THR 5 CO -0.01 0.51 0.11 0.25 0.37 0.00 0.00 175.52 176.75 2k9f h LEU 6 N 0.80 0.47 -0.09 2.58 5.85 -1.13 -0.81 115.31 122.99 2k9f h LEU 6 Ca 0.08 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.74 2k9f h LEU 6 Cb 0.92 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.83 2k9f h LEU 6 CO 0.09 0.46 -0.18 -1.20 -0.34 0.00 0.00 178.44 177.26 2k9f n SER 7 N -4.37 0.32 0.18 1.25 7.64 -0.37 -3.30 113.62 114.97 2k9f n SER 7 Ca 0.02 -0.12 0.10 0.00 1.01 0.00 0.00 58.87 59.89 2k9f n SER 7 Cb 0.16 -0.13 0.11 0.00 -1.01 0.00 0.00 64.21 63.35 2k9f n SER 7 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 2k9f h THR 8 N 0.21 0.11 -2.08 0.44 2.02 -0.42 -3.41 112.91 109.77 2k9f h THR 8 Ca 0.00 -1.16 -0.59 0.00 0.77 0.00 0.00 66.41 65.42 2k9f h THR 8 Cb 0.45 1.94 0.02 0.00 -1.74 0.00 0.00 68.15 68.81 2k9f h THR 8 CO 0.00 0.06 1.16 0.18 0.37 0.00 0.00 175.52 177.29 2k9f n LEU 9 N -3.02 3.60 -4.64 2.58 7.99 -1.16 -4.90 117.00 117.45 2k9f n LEU 9 Ca 0.02 0.91 -0.34 0.00 -0.01 0.00 0.00 56.01 56.59 2k9f n LEU 9 Cb 0.57 -1.41 -0.10 0.00 -0.11 0.00 0.00 43.42 42.36 2k9f n LEU 9 CO 0.36 -0.03 -0.34 -0.75 -1.51 0.00 0.00 177.39 175.13 2k9f s LYS 10 N 4.35 2.87 0.76 3.23 2.47 -1.26 -0.63 119.74 131.53 2k9f s LYS 10 Ca 0.93 -0.48 -0.10 0.00 -1.56 0.00 0.00 55.97 54.76 2k9f s LYS 10 Cb -0.62 -2.70 0.06 0.00 -1.46 0.00 0.00 37.83 33.11 2k9f s LYS 10 CO 0.49 0.68 1.11 0.95 0.16 0.00 0.00 175.35 178.74 2k9f s THR 11 N -0.87 2.36 -0.87 3.43 -4.23 0.68 -0.26 115.64 115.88 2k9f s THR 11 Ca 0.13 -0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.78 2k9f s THR 11 Cb -0.11 -3.09 0.12 0.00 1.34 0.00 0.00 72.50 70.76 2k9f s THR 11 CO 0.03 -0.11 1.42 0.00 -0.54 0.00 0.00 174.62 175.41 2k9f n ALA 12 N -3.14 1.49 0.14 3.99 0.00 0.64 -1.11 120.51 122.52 2k9f n ALA 12 Ca 0.08 -0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.62 2k9f n ALA 12 Cb 0.60 -1.22 0.27 0.00 0.00 0.00 0.00 19.45 19.11 2k9f n ALA 12 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k9f n ASP 13 N -1.66 3.32 -2.17 0.00 2.03 -1.26 -4.93 116.55 111.87 2k9f n ASP 13 Ca 0.02 -1.98 -0.14 0.00 0.52 0.00 0.00 54.79 53.22 2k9f n ASP 13 Cb 0.14 -0.36 0.04 0.00 -0.72 0.00 0.00 41.12 40.22 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 1.34 -4.49 -4.26 1.67 5.15 -0.26 -5.04 115.26 109.36 2k9f n ASN 14 Ca 0.21 -0.26 -0.29 0.00 -0.60 0.00 0.00 54.58 53.64 2k9f n ASN 14 Cb 0.55 -3.19 -0.16 0.00 -0.53 0.00 0.00 39.78 36.45 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 -5.57 1.83 0.44 1.20 0.52 -1.25 -4.89 118.95 111.23 2k9f s ARG 15 Ca 0.29 -0.82 -0.25 0.00 -0.52 0.00 0.00 55.73 54.42 2k9f s ARG 15 Cb -0.13 -1.78 -0.08 0.00 0.52 0.00 0.00 34.95 33.48 2k9f s ARG 15 CO 0.35 0.49 1.30 -1.25 0.02 0.00 0.00 175.30 176.21 2k9f s PRO 16 N -0.57 3.80 0.20 3.54 0.04 -1.26 -0.23 135.00 140.52 2k9f s PRO 16 Ca 0.09 2.12 0.17 0.00 0.04 0.00 0.00 61.00 63.41 2k9f s PRO 16 Cb -0.09 -2.62 0.82 0.00 0.04 0.00 0.00 34.50 32.65 2k9f s PRO 16 CO -0.01 -0.62 1.51 0.00 0.04 0.00 0.00 177.00 177.91 2k9f n ALA 17 N -0.16 1.23 0.27 8.56 0.00 0.20 -2.49 120.51 128.11 2k9f n ALA 17 Ca 0.05 0.11 0.18 0.00 0.00 0.00 0.00 53.44 53.78 2k9f n ALA 17 Cb 0.44 -1.25 0.93 0.00 0.00 0.00 0.00 19.45 19.57 2k9f n ALA 17 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2k9f h SER 18 N 0.00 0.00 0.29 0.00 0.02 -1.84 -0.56 113.55 111.47 2k9f h SER 18 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k9f h SER 18 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 2k9f h SER 18 CO 0.00 0.00 -0.00 -0.37 -1.14 0.00 0.00 176.83 175.32 2k9f h VAL 19 N 0.00 0.03 0.00 2.27 -1.51 -1.88 -2.33 116.25 112.83 2k9f h VAL 19 Ca 0.04 -0.16 -0.10 0.00 -1.23 0.00 0.00 66.70 65.26 2k9f h VAL 19 Cb 0.39 1.15 -0.21 0.00 -2.13 0.00 0.00 31.29 30.49 2k9f h VAL 19 CO -0.00 0.00 -0.77 -1.22 -1.23 0.00 0.00 177.57 174.35 2k9f n TYR 20 N -3.11 0.00 -2.73 5.19 4.01 -0.24 -4.81 117.16 115.47 2k9f n TYR 20 Ca -0.02 -0.81 -0.05 0.00 -0.16 0.00 0.00 57.90 56.86 2k9f n TYR 20 Cb 0.14 -0.18 0.04 0.00 -0.31 0.00 0.00 39.34 39.03 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 -0.16 1.73 0.00 7.72 4.77 -0.88 -4.81 117.00 125.37 2k9f n LEU 21 Ca 0.10 -3.40 -0.03 0.00 -0.03 0.00 0.00 56.01 52.66 2k9f n LEU 21 Cb 0.94 0.41 -0.01 0.00 -2.33 0.00 0.00 43.42 42.43 2k9f n LEU 21 CO -0.03 1.30 0.01 0.29 -1.33 0.00 0.00 177.39 177.63 2k9f n LYS 22 N -0.40 0.10 -1.17 3.23 5.02 -1.25 -4.88 118.16 118.81 2k9f n LYS 22 Ca 0.10 -0.48 -0.06 0.00 -2.02 0.00 0.00 58.31 55.85 2k9f n LYS 22 Cb 0.81 0.44 -0.02 0.00 -0.02 0.00 0.00 35.03 36.24 2k9f n LYS 22 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k9f n LYS 23 N -0.10 -1.27 -3.48 1.97 5.02 -1.26 -2.92 118.16 116.13 2k9f n LYS 23 Ca 0.00 0.61 -0.25 0.00 -2.02 0.00 0.00 58.31 56.66 2k9f n LYS 23 Cb 0.10 -4.70 0.05 0.00 -0.02 0.00 0.00 35.03 30.46 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 -0.59 -5.93 -4.82 4.39 8.00 -1.26 -4.99 116.55 111.34 2k9f n ASP 24 Ca -0.06 -0.50 -0.33 0.00 0.71 0.00 0.00 54.79 54.62 2k9f n ASP 24 Cb 0.41 -4.72 -0.06 0.00 -0.02 0.00 0.00 41.12 36.72 2k9f n ASP 24 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2k9f s LYS 25 N -6.18 3.15 0.28 -1.24 1.02 -1.15 -4.72 119.74 110.90 2k9f s LYS 25 Ca 0.51 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.74 2k9f s LYS 25 Cb -0.24 -2.91 -0.11 0.00 -0.52 0.00 0.00 37.83 34.06 2k9f s LYS 25 CO 0.63 0.64 1.49 -1.25 -0.92 0.00 0.00 175.35 175.95 2k9f s PRO 26 N -1.91 4.21 0.03 -1.68 0.04 -1.26 -4.62 135.00 129.81 2k9f s PRO 26 Ca 0.25 2.42 0.03 0.00 0.04 0.00 0.00 61.00 63.75 2k9f s PRO 26 Cb -0.12 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 2k9f s PRO 26 CO 0.17 -0.49 -0.03 0.99 0.04 0.00 0.00 177.00 177.68 2k9f s THR 27 N -0.16 3.92 -0.24 1.26 2.01 -0.41 0.04 115.64 122.06 2k9f s THR 27 Ca 0.60 -0.79 0.00 0.00 0.31 0.00 0.00 61.69 61.81 2k9f s THR 27 Cb -0.44 -2.77 0.07 0.00 0.01 0.00 0.00 72.50 69.36 2k9f s THR 27 CO 0.47 0.30 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.47 2k9f s LEU 28 N -1.74 2.47 -0.27 4.42 2.96 0.87 0.21 118.68 127.59 2k9f s LEU 28 Ca 0.20 -1.24 -0.15 0.00 -0.22 0.00 0.00 54.13 52.73 2k9f s LEU 28 Cb -0.11 -1.09 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 2k9f s LEU 28 CO 0.12 -0.28 0.36 -0.63 -1.32 0.00 0.00 176.35 174.60 2k9f s ILE 29 N 1.46 5.18 -0.18 6.68 1.01 0.06 -0.58 121.20 134.83 2k9f s ILE 29 Ca -0.02 0.51 -0.02 0.00 0.00 0.00 0.00 60.65 61.12 2k9f s ILE 29 Cb -0.18 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.58 2k9f s ILE 29 CO -0.09 0.15 -0.09 -0.75 0.00 0.00 0.00 174.94 174.16 2k9f s LYS 30 N 2.05 3.37 -0.04 2.79 2.36 0.50 0.07 119.74 130.84 2k9f s LYS 30 Ca 0.14 -0.66 -0.08 0.00 -2.55 0.00 0.00 55.97 52.83 2k9f s LYS 30 Cb -0.16 -2.82 -0.05 0.00 -1.05 0.00 0.00 37.83 33.76 2k9f s LYS 30 CO 0.10 0.00 0.24 -0.06 1.55 0.00 0.00 175.35 177.18 2k9f s PHE 31 N 0.92 3.60 0.23 4.03 0.40 -0.25 -0.91 117.98 126.00 2k9f s PHE 31 Ca -0.02 0.60 -0.06 0.00 -0.60 0.00 0.00 56.93 56.85 2k9f s PHE 31 Cb -0.15 -2.00 -0.02 0.00 0.51 0.00 0.00 43.02 41.36 2k9f s PHE 31 CO 0.00 0.66 0.31 1.67 0.70 0.00 0.00 175.22 178.57 2k9f s TRP 32 N -1.18 0.81 -0.05 0.36 1.48 -1.25 -3.26 118.94 115.86 2k9f s TRP 32 Ca 0.23 -1.09 0.04 0.00 -1.06 0.00 0.00 56.10 54.22 2k9f s TRP 32 Cb -0.13 -0.20 -0.02 0.00 -1.16 0.00 0.00 33.47 31.96 2k9f s TRP 32 CO 0.12 -0.84 -0.16 0.00 -4.06 0.00 0.00 176.95 172.01 2k9f s ALA 33 N -4.00 2.60 -0.02 2.67 0.00 -1.26 -4.82 121.76 116.93 2k9f s ALA 33 Ca 0.31 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 51.05 2k9f s ALA 33 Cb 0.03 -0.92 -0.20 0.00 0.00 0.00 0.00 23.12 22.02 2k9f s ALA 33 CO 0.12 0.54 1.15 0.77 0.00 0.00 0.00 175.76 178.34 2k9f h SER 34 N 5.43 0.27 -0.53 0.00 0.02 -2.01 -3.26 113.55 113.47 2k9f h SER 34 Ca -0.45 -0.65 -0.26 0.00 -0.84 0.00 0.00 61.79 59.58 2k9f h SER 34 Cb 1.15 -0.08 -0.16 0.00 0.14 0.00 0.00 62.40 63.45 2k9f h SER 34 CO 0.50 0.88 0.34 -2.67 -1.14 0.00 0.00 176.83 174.74 2k9f n TRP 35 N -4.54 1.65 -4.16 3.45 -0.00 -1.26 -4.84 117.44 107.75 2k9f n TRP 35 Ca -0.09 -1.18 -0.33 0.00 -0.00 0.00 0.00 57.50 55.90 2k9f n TRP 35 Cb 0.45 -0.61 -0.15 0.00 -0.00 0.00 0.00 31.31 30.99 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 7.86 0.77 -0.88 0.00 0.13 -1.89 0.06 132.00 138.05 2k9f h PRO 37 Ca -0.42 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2k9f h PRO 37 Cb 1.15 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 2k9f h PRO 37 CO 0.62 0.51 0.49 -0.07 -0.23 0.00 0.00 178.00 179.32 2k9f h LEU 38 N 0.80 1.09 -0.32 1.56 3.38 -1.95 -2.42 115.31 117.44 2k9f h LEU 38 Ca 0.29 -0.09 -0.19 0.00 0.09 0.00 0.00 57.88 57.98 2k9f h LEU 38 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2k9f h LEU 38 CO -0.13 0.86 -0.85 0.00 0.09 0.00 0.00 178.44 178.41 2k9f h LEU 40 N 0.07 0.35 -1.07 0.00 3.38 -0.53 -2.65 115.31 114.86 2k9f h LEU 40 Ca -0.03 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 2k9f h LEU 40 Cb 1.47 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2k9f h LEU 40 CO 0.12 0.41 -0.23 0.28 0.09 0.00 0.00 178.44 179.12 2k9f h SER 41 N 0.27 0.39 0.24 -0.43 0.02 -1.54 -2.57 113.55 109.93 2k9f h SER 41 Ca 0.09 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2k9f h SER 41 Cb 0.16 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 2k9f h SER 41 CO -0.01 0.62 -0.11 -0.08 -1.14 0.00 0.00 176.83 176.12 2k9f h GLU 42 N 0.35 0.00 -0.48 3.45 4.22 -1.41 -1.95 114.58 118.77 2k9f h GLU 42 Ca 0.06 0.00 0.02 0.00 0.08 0.00 0.00 59.36 59.52 2k9f h GLU 42 Cb 0.60 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 2k9f h GLU 42 CO 0.04 0.11 0.32 -0.07 -2.18 0.00 0.00 179.01 177.23 2k9f h LEU 43 N 0.00 0.49 -0.57 1.64 3.38 -1.12 0.25 115.31 119.38 2k9f h LEU 43 Ca -0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2k9f h LEU 43 Cb 0.26 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2k9f h LEU 43 CO 0.01 0.34 -0.11 1.23 0.09 0.00 0.00 178.44 180.00 2k9f h GLY 44 N 0.57 1.11 2.00 0.83 0.00 -1.49 -2.53 103.07 103.56 2k9f h GLY 44 Ca 0.19 -0.90 -0.18 0.00 0.00 0.00 0.00 47.33 46.44 2k9f h GLY 44 CO -0.05 0.82 -0.84 -1.61 0.00 0.00 0.00 176.54 174.87 2k9f h GLN 45 N 0.91 0.00 -0.25 4.80 4.15 -1.40 -3.06 115.11 120.26 2k9f h GLN 45 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.56 2k9f h GLN 45 Cb 0.68 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 2k9f h GLN 45 CO 0.05 0.84 0.16 1.15 -1.93 0.00 0.00 178.83 179.09 2k9f h THR 46 N 0.00 1.08 -0.48 2.39 2.02 -0.33 0.12 112.91 117.71 2k9f h THR 46 Ca -0.01 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 66.94 2k9f h THR 46 Cb 1.51 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 2k9f h THR 46 CO 0.11 0.08 0.03 -0.08 0.37 0.00 0.00 175.52 176.03 2k9f h GLU 47 N 0.32 0.77 0.04 6.66 4.81 -1.50 -0.16 114.58 125.52 2k9f h GLU 47 Ca 0.09 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2k9f h GLU 47 Cb -0.01 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.27 2k9f h GLU 47 CO -0.02 0.76 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.78 2k9f h LYS 48 N 0.73 -0.05 -0.55 1.92 1.63 -1.31 -2.14 116.57 116.81 2k9f h LYS 48 Ca 0.15 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 2k9f h LYS 48 Cb 0.40 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 2k9f h LYS 48 CO 0.01 0.05 0.11 -1.49 -3.45 0.00 0.00 179.45 174.68 2k9f h TRP 49 N -0.13 0.88 0.00 1.91 6.55 -0.54 -1.59 115.95 123.03 2k9f h TRP 49 Ca -0.01 -0.09 0.00 0.00 0.95 0.00 0.00 58.89 59.74 2k9f h TRP 49 Cb 0.12 -0.25 0.00 0.00 -0.86 0.00 0.00 29.16 28.16 2k9f h TRP 49 CO -0.05 0.75 0.00 0.00 -1.05 0.00 0.00 178.44 178.10 2k9f n ALA 50 N -2.46 1.61 -0.70 1.49 0.00 -0.09 -1.75 120.51 118.61 2k9f n ALA 50 Ca 0.04 -0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.53 2k9f n ALA 50 Cb 0.24 -1.24 0.21 0.00 0.00 0.00 0.00 19.45 18.66 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 -1.63 2.82 -3.50 0.00 1.13 -0.61 -4.83 117.38 110.76 2k9f n GLN 51 Ca 0.03 -2.52 -0.38 0.00 -1.94 0.00 0.00 57.00 52.18 2k9f n GLN 51 Cb 0.17 -1.61 -0.06 0.00 0.11 0.00 0.00 30.24 28.85 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 -1.65 6.81 0.46 1.08 -1.08 -0.72 -4.98 116.67 116.60 2k9f s ASP 52 Ca 0.34 0.96 0.12 0.00 -0.52 0.00 0.00 52.55 53.45 2k9f s ASP 52 Cb 0.25 -2.25 1.06 0.00 -1.46 0.00 0.00 42.92 40.53 2k9f s ASP 52 CO 0.10 0.32 2.08 0.00 0.52 0.00 0.00 175.17 178.20 2k9f h ALA 53 N 4.72 1.89 -0.17 3.66 0.00 -1.94 -0.94 119.26 126.49 2k9f h ALA 53 Ca -0.52 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 2k9f h ALA 53 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2k9f h ALA 53 CO 0.61 0.08 -0.33 0.87 0.00 0.00 0.00 179.25 180.49 2k9f h LYS 54 N 0.30 0.52 0.00 0.00 1.79 -1.93 -3.08 116.57 114.17 2k9f h LYS 54 Ca 0.11 -0.34 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2k9f h LYS 54 Cb 0.07 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 2k9f h LYS 54 CO -0.02 0.94 0.00 1.19 -1.08 0.00 0.00 179.45 180.48 2k9f n PHE 55 N -4.34 0.87 0.26 -1.35 3.72 -0.90 -2.82 117.46 112.90 2k9f n PHE 55 Ca -0.06 0.31 0.06 0.00 -0.05 0.00 0.00 57.45 57.71 2k9f n PHE 55 Cb 0.49 -1.00 0.29 0.00 -0.94 0.00 0.00 39.48 38.32 2k9f n PHE 55 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2k9f n SER 56 N -2.26 0.21 0.12 4.37 7.64 -0.41 -1.09 113.62 122.21 2k9f n SER 56 Ca 0.03 0.57 0.13 0.00 1.01 0.00 0.00 58.87 60.62 2k9f n SER 56 Cb 0.30 -0.61 0.39 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.50 6.43 0.02 -1.69 -3.46 113.55 113.35 2k9f h SER 57 Ca 0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 2k9f h SER 57 Cb 0.15 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.55 2k9f h SER 57 CO 0.00 0.00 -0.54 0.00 -1.14 0.00 0.00 176.83 175.15 2k9f s ALA 58 N -3.14 3.52 -0.74 3.77 0.00 -0.25 -4.48 121.76 120.44 2k9f s ALA 58 Ca 0.10 -1.03 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 2k9f s ALA 58 Cb 0.11 0.29 0.19 0.00 0.00 0.00 0.00 23.12 23.71 2k9f s ALA 58 CO 0.58 -0.14 0.59 -0.80 0.00 0.00 0.00 175.76 175.99 2k9f s ASN 59 N -3.75 5.71 -0.29 0.00 0.01 0.11 -4.98 114.94 111.74 2k9f s ASN 59 Ca 0.17 -3.06 -0.29 0.00 -0.71 0.00 0.00 52.86 48.97 2k9f s ASN 59 Cb 0.04 -1.93 0.01 0.00 0.41 0.00 0.00 41.25 39.78 2k9f s ASN 59 CO 0.09 -0.35 1.09 -0.22 -1.51 0.00 0.00 177.10 176.20 2k9f s LEU 60 N -0.37 3.98 0.03 0.60 0.20 -1.26 -0.09 118.68 121.76 2k9f s LEU 60 Ca 0.20 1.16 0.03 0.00 0.69 0.00 0.00 54.13 56.20 2k9f s LEU 60 Cb -0.15 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.05 2k9f s LEU 60 CO -0.06 -0.84 -0.08 0.27 -0.29 0.00 0.00 176.35 175.34 2k9f s ILE 61 N 3.59 0.62 -0.27 6.68 -4.36 0.25 -4.82 121.20 122.89 2k9f s ILE 61 Ca 0.46 -0.89 -0.06 0.00 -0.26 0.00 0.00 60.65 59.90 2k9f s ILE 61 Cb -0.13 -0.63 0.00 0.00 1.25 0.00 0.00 42.46 42.95 2k9f s ILE 61 CO 0.14 -0.21 0.05 0.42 0.24 0.00 0.00 174.94 175.58 2k9f s THR 62 N -1.02 3.86 -0.08 8.37 -4.23 0.11 -0.37 115.64 122.27 2k9f s THR 62 Ca -0.05 -0.61 0.02 0.00 -1.18 0.00 0.00 61.69 59.87 2k9f s THR 62 Cb -0.08 -2.93 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 2k9f s THR 62 CO 0.00 0.18 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.45 2k9f s VAL 63 N 1.50 3.22 -0.02 2.29 1.01 -0.09 0.54 120.40 128.86 2k9f s VAL 63 Ca 0.03 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.40 2k9f s VAL 63 Cb -0.16 -2.30 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 2k9f s VAL 63 CO 0.01 0.57 -0.10 0.00 0.00 0.00 0.00 175.10 175.59 2k9f s ALA 64 N -0.44 0.86 -0.50 5.51 0.00 -0.45 -3.90 121.76 122.84 2k9f s ALA 64 Ca 0.06 -0.40 -0.15 0.00 0.00 0.00 0.00 51.96 51.46 2k9f s ALA 64 Cb -0.12 -0.26 0.10 0.00 0.00 0.00 0.00 23.12 22.84 2k9f s ALA 64 CO 0.02 0.18 0.44 -1.12 0.00 0.00 0.00 175.76 175.28 2k9f s SER 65 N -0.06 6.12 0.14 0.00 0.01 -1.26 -0.05 113.70 118.61 2k9f s SER 65 Ca 0.01 -1.59 -0.31 0.00 1.31 0.00 0.00 55.95 55.37 2k9f s SER 65 Cb -0.06 -2.18 -0.08 0.00 0.21 0.00 0.00 66.02 63.91 2k9f s SER 65 CO -0.00 -0.75 1.39 -2.84 0.41 0.00 0.00 173.24 171.45 2k9f s PRO 66 N 1.60 4.32 0.00 12.44 0.02 -1.23 -2.43 135.00 149.72 2k9f s PRO 66 Ca 0.04 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.16 2k9f s PRO 66 Cb -0.27 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.03 2k9f s PRO 66 CO 0.04 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 176.71 2k9f n GLY 67 N 3.19 0.89 3.56 0.52 0.00 0.70 -3.90 105.19 110.15 2k9f n GLY 67 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.54 2.82 -1.87 1.61 5.36 -1.02 -4.53 117.98 116.82 2k9f s PHE 68 Ca 0.00 -0.08 0.00 0.00 -0.96 0.00 0.00 56.93 55.89 2k9f s PHE 68 Cb 0.00 -1.61 0.00 0.00 -0.34 0.00 0.00 43.02 41.07 2k9f s PHE 68 CO 0.00 0.32 0.00 1.28 -1.46 0.00 0.00 175.22 175.36 2k9f n LEU 69 N 1.77 -1.77 -1.28 6.12 7.99 -1.26 -1.71 117.00 126.87 2k9f n LEU 69 Ca -0.16 0.16 -0.13 0.00 -0.01 0.00 0.00 56.01 55.87 2k9f n LEU 69 Cb 0.52 -2.83 -0.02 0.00 -0.11 0.00 0.00 43.42 40.98 2k9f n LEU 69 CO 0.29 -0.50 -0.15 1.41 -1.51 0.00 0.00 177.39 176.93 2k9f n HIS 70 N -3.47 -0.39 -1.16 -1.77 8.25 -1.26 -5.02 115.22 110.40 2k9f n HIS 70 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 2k9f n HIS 70 Cb 0.68 -2.63 0.00 0.00 1.12 0.00 0.00 29.99 29.15 2k9f n HIS 70 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2k9f n GLU 71 N -2.37 0.14 -2.18 -0.41 -0.58 -0.70 -5.01 120.64 109.53 2k9f n GLU 71 Ca -0.14 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.22 2k9f n GLU 71 Cb 0.54 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 31.41 2k9f n GLU 71 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2k9f s LYS 72 N -2.78 3.82 0.71 3.49 -0.14 -1.26 -4.14 119.74 119.43 2k9f s LYS 72 Ca 0.00 1.91 -0.11 0.00 -1.36 0.00 0.00 55.97 56.40 2k9f s LYS 72 Cb 0.00 -2.53 0.01 0.00 -1.68 0.00 0.00 37.83 33.63 2k9f s LYS 72 CO 0.00 -0.54 1.07 0.21 -0.76 0.00 0.00 175.35 175.33 2k9f s LYS 73 N -2.52 2.85 0.62 1.68 2.20 -1.26 -0.22 119.74 123.09 2k9f s LYS 73 Ca 0.61 0.71 -0.18 0.00 -0.36 0.00 0.00 55.97 56.75 2k9f s LYS 73 Cb -0.32 -2.00 -0.02 0.00 -1.51 0.00 0.00 37.83 33.98 2k9f s LYS 73 CO 0.40 -1.10 1.23 0.34 -0.36 0.00 0.00 175.35 175.86 2k9f s ASP 74 N -4.05 4.94 0.00 1.43 2.15 -1.26 -1.54 116.67 118.34 2k9f s ASP 74 Ca 0.58 2.46 0.00 0.00 0.43 0.00 0.00 52.55 56.02 2k9f s ASP 74 Cb -0.13 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.89 2k9f s ASP 74 CO 0.54 -1.77 0.00 0.61 -0.17 0.00 0.00 175.17 174.38 2k9f n GLY 75 N 0.61 1.62 0.09 2.66 0.00 -1.26 -4.61 105.19 104.30 2k9f n GLY 75 Ca 0.14 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 0.18 -0.96 1.61 1.82 -1.88 -3.30 116.42 113.89 2k9f h ASP 76 Ca 0.00 -0.91 0.06 0.00 -0.39 0.00 0.00 57.03 55.79 2k9f h ASP 76 Cb 0.00 -0.06 -0.06 0.00 0.68 0.00 0.00 39.33 39.89 2k9f h ASP 76 CO 0.00 1.25 0.62 0.15 -1.61 0.00 0.00 179.24 179.65 2k9f h PHE 77 N -0.73 1.14 -0.05 0.28 3.57 -1.54 -1.08 116.94 118.54 2k9f h PHE 77 Ca -0.12 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.36 2k9f h PHE 77 Cb 1.32 -0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2k9f h PHE 77 CO 0.21 0.61 -0.17 -0.56 -2.23 0.00 0.00 178.31 176.17 2k9f h GLN 78 N 1.13 0.07 0.02 1.11 3.07 -1.84 -1.84 115.11 116.84 2k9f h GLN 78 Ca 0.41 -0.02 -0.21 0.00 0.09 0.00 0.00 58.65 58.92 2k9f h GLN 78 Cb 0.15 -0.01 -0.02 0.00 0.08 0.00 0.00 27.48 27.68 2k9f h GLN 78 CO -0.15 0.25 -0.96 0.87 0.09 0.00 0.00 178.83 178.93 2k9f h LYS 79 N 0.07 0.11 -0.48 0.06 1.57 -1.31 -2.92 116.57 113.67 2k9f h LYS 79 Ca 0.01 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2k9f h LYS 79 Cb 0.35 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 2k9f h LYS 79 CO 0.02 0.98 0.27 2.35 -0.57 0.00 0.00 179.45 182.50 2k9f h TRP 80 N 0.05 0.49 -0.37 -1.35 2.91 -0.45 -1.73 115.95 115.50 2k9f h TRP 80 Ca -0.04 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 59.90 2k9f h TRP 80 Cb 1.64 -0.15 -0.02 0.00 -0.51 0.00 0.00 29.16 30.12 2k9f h TRP 80 CO 0.02 0.27 -0.18 -0.92 -1.03 0.00 0.00 178.44 176.60 2k9f h TYR 81 N 0.53 0.77 0.00 2.65 3.20 -1.50 -2.59 116.97 120.03 2k9f h TYR 81 Ca 0.20 -0.16 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 2k9f h TYR 81 Cb 0.07 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 2k9f h TYR 81 CO -0.08 0.82 -0.10 0.00 -1.64 0.00 0.00 178.16 177.16 2k9f h ALA 82 N 1.19 1.61 -0.96 1.82 0.00 -1.16 -1.76 119.26 119.99 2k9f h ALA 82 Ca 0.10 -0.09 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 2k9f h ALA 82 Cb 0.64 -0.02 -0.28 0.00 0.00 0.00 0.00 17.79 18.14 2k9f h ALA 82 CO 0.05 0.13 0.59 0.41 0.00 0.00 0.00 179.25 180.43 2k9f n GLY 83 N -1.07 4.39 0.00 0.00 0.00 -0.72 -4.93 105.19 102.85 2k9f n GLY 83 Ca -0.02 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.01 0.00 0.00 0.99 4.77 -0.66 -5.04 117.00 116.04 2k9f n LEU 84 Ca 0.57 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 56.50 2k9f n LEU 84 Cb 1.63 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 42.71 2k9f n LEU 84 CO 0.58 0.00 -0.03 -3.20 -1.33 0.00 0.00 177.39 173.42 2k9f n ASN 85 N -0.30 1.95 -2.38 -1.43 5.15 -1.26 -4.98 115.26 112.01 2k9f n ASN 85 Ca 0.00 -1.36 -0.03 0.00 -0.60 0.00 0.00 54.58 52.59 2k9f n ASN 85 Cb 0.00 0.04 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 2k9f n ASN 85 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 2k9f n TYR 86 N -0.36 -2.57 0.51 1.20 4.01 -1.26 -4.89 117.16 113.80 2k9f n TYR 86 Ca -0.03 1.09 0.09 0.00 -0.16 0.00 0.00 57.90 58.89 2k9f n TYR 86 Cb 0.11 -3.26 0.39 0.00 -0.31 0.00 0.00 39.34 36.27 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 0.04 0.07 -0.72 -0.72 -0.04 -1.26 -2.67 135.00 129.69 2k9f n PRO 87 Ca 0.04 0.28 0.02 0.00 -0.04 0.00 0.00 63.50 63.81 2k9f n PRO 87 Cb 0.17 -1.62 0.28 0.00 -0.04 0.00 0.00 33.50 32.28 2k9f n PRO 87 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k9f n LYS 88 N -1.75 3.20 -2.69 0.54 5.02 -1.26 -4.96 118.16 116.26 2k9f n LYS 88 Ca 0.03 -3.01 -0.43 0.00 -2.02 0.00 0.00 58.31 52.89 2k9f n LYS 88 Cb 0.21 -2.00 -0.03 0.00 -0.02 0.00 0.00 35.03 33.19 2k9f n LYS 88 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2k9f s LEU 89 N -2.94 3.92 -1.41 -0.35 1.43 -1.09 -4.94 118.68 113.30 2k9f s LEU 89 Ca 0.48 0.85 -0.12 0.00 -1.03 0.00 0.00 54.13 54.31 2k9f s LEU 89 Cb 0.39 -3.45 -0.05 0.00 0.03 0.00 0.00 46.19 43.11 2k9f s LEU 89 CO 0.10 -0.90 2.54 -0.81 0.23 0.00 0.00 176.35 177.50 2k9f n PRO 90 N 6.92 3.05 -2.75 1.29 -0.04 -1.26 -4.92 135.00 137.29 2k9f n PRO 90 Ca 0.10 -2.19 -0.43 0.00 -0.04 0.00 0.00 63.50 60.95 2k9f n PRO 90 Cb 0.48 -2.91 -0.03 0.00 -0.04 0.00 0.00 33.50 30.99 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 2.88 4.64 -0.05 0.52 1.01 -1.25 -0.71 120.40 127.43 2k9f s VAL 91 Ca 0.58 1.59 -0.02 0.00 0.00 0.00 0.00 61.98 64.13 2k9f s VAL 91 Cb 0.15 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2k9f s VAL 91 CO -0.05 -0.35 0.05 -0.69 0.00 0.00 0.00 175.10 174.06 2k9f s VAL 92 N 3.34 4.64 -0.43 2.92 1.01 0.19 -0.26 120.40 131.80 2k9f s VAL 92 Ca 0.41 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 2k9f s VAL 92 Cb -0.13 -3.04 0.04 0.00 0.00 0.00 0.00 36.38 33.25 2k9f s VAL 92 CO 0.13 0.49 0.36 -0.89 0.00 0.00 0.00 175.10 175.19 2k9f s THR 93 N -1.04 5.21 -1.17 3.92 2.01 0.64 -1.34 115.64 123.87 2k9f s THR 93 Ca 0.18 -0.72 -0.11 0.00 0.31 0.00 0.00 61.69 61.35 2k9f s THR 93 Cb -0.12 -4.02 0.23 0.00 0.01 0.00 0.00 72.50 68.60 2k9f s THR 93 CO 0.08 -0.42 1.34 -0.67 -0.69 0.00 0.00 174.62 174.25 2k9f n ASP 94 N 5.28 5.43 -4.64 3.53 2.03 0.93 -4.16 116.55 124.95 2k9f n ASP 94 Ca -0.11 -3.04 -0.42 0.00 0.52 0.00 0.00 54.79 51.73 2k9f n ASP 94 Cb 0.46 -1.46 -0.03 0.00 -0.72 0.00 0.00 41.12 39.37 2k9f n ASP 94 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 2k9f s ASN 95 N 1.71 6.27 0.00 1.67 3.84 -1.26 -1.71 114.94 125.45 2k9f s ASN 95 Ca 0.37 2.13 0.00 0.00 0.21 0.00 0.00 52.86 55.57 2k9f s ASN 95 Cb -0.04 -2.53 0.00 0.00 -0.55 0.00 0.00 41.25 38.13 2k9f s ASN 95 CO -0.02 -1.27 0.00 0.61 -2.79 0.00 0.00 177.10 173.62 2k9f n GLY 96 N 4.74 0.64 2.46 1.21 0.00 -1.25 -4.25 105.19 108.73 2k9f n GLY 96 Ca 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 0.21 0.24 -0.02 0.00 -0.70 -4.89 105.19 98.04 2k9f n GLY 97 Ca 0.00 -0.23 -0.07 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.25 1.17 0.20 2.61 2.02 -1.76 0.20 112.91 116.11 2k9f h THR 98 Ca -0.27 -0.41 -0.27 0.00 0.77 0.00 0.00 66.41 66.23 2k9f h THR 98 Cb 1.17 0.42 0.03 0.00 -1.74 0.00 0.00 68.15 68.03 2k9f h THR 98 CO 0.26 0.18 -1.18 0.40 0.37 0.00 0.00 175.52 175.56 2k9f h ILE 99 N 0.76 1.37 -0.47 3.11 1.08 -1.92 -3.07 117.51 118.38 2k9f h ILE 99 Ca 0.20 -2.61 0.02 0.00 -0.39 0.00 0.00 64.86 62.08 2k9f h ILE 99 Cb 0.00 3.10 -0.03 0.00 -3.07 0.00 0.00 36.82 36.82 2k9f h ILE 99 CO -0.04 0.77 0.28 0.00 -0.69 0.00 0.00 178.15 178.47 2k9f h ALA 100 N 0.11 0.59 -0.39 1.87 0.00 -1.90 -2.58 119.26 116.96 2k9f h ALA 100 Ca -0.21 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 2k9f h ALA 100 Cb 1.91 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2k9f h ALA 100 CO 0.21 -0.03 -0.26 0.37 0.00 0.00 0.00 179.25 179.53 2k9f h GLN 101 N 0.56 0.81 -0.54 0.00 4.15 -0.72 0.26 115.11 119.63 2k9f h GLN 101 Ca 0.19 -0.35 -0.01 0.00 0.77 0.00 0.00 58.65 59.24 2k9f h GLN 101 Cb 0.01 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.65 2k9f h GLN 101 CO -0.08 0.98 0.28 0.77 -1.93 0.00 0.00 178.83 178.85 2k9f h SER 102 N 0.69 0.66 -0.30 -0.69 0.02 -1.38 -2.42 113.55 110.13 2k9f h SER 102 Ca 0.09 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k9f h SER 102 Cb 0.80 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2k9f h SER 102 CO 0.07 0.54 0.00 0.18 -1.14 0.00 0.00 176.83 176.47 2k9f n LEU 103 N -4.40 2.93 -3.61 5.07 4.77 -1.00 -4.99 117.00 115.77 2k9f n LEU 103 Ca 0.05 -1.57 -0.24 0.00 -0.03 0.00 0.00 56.01 54.22 2k9f n LEU 103 Cb 0.10 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.04 2k9f n LEU 103 CO 0.37 0.66 -0.06 -3.20 -1.33 0.00 0.00 177.39 173.83 2k9f n ASN 104 N 0.96 -3.77 -4.47 -1.43 5.15 0.05 -4.91 115.26 106.85 2k9f n ASN 104 Ca 0.14 -0.88 -0.43 0.00 -0.60 0.00 0.00 54.58 52.81 2k9f n ASN 104 Cb 0.47 -3.99 -0.04 0.00 -0.53 0.00 0.00 39.78 35.69 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 -3.55 4.25 -0.24 -1.44 1.01 0.69 -4.84 121.20 117.09 2k9f s ILE 105 Ca 0.27 -0.27 0.11 0.00 0.00 0.00 0.00 60.65 60.75 2k9f s ILE 105 Cb -0.08 -4.72 0.45 0.00 0.01 0.00 0.00 42.46 38.13 2k9f s ILE 105 CO 0.82 -1.51 1.32 -1.54 0.00 0.00 0.00 174.94 174.03 2k9f n SER 106 N 7.92 2.09 -3.55 3.58 3.41 -1.26 -4.86 113.62 120.95 2k9f n SER 106 Ca -0.03 -3.80 -0.11 0.00 -0.26 0.00 0.00 58.87 54.67 2k9f n SER 106 Cb 0.46 -0.57 -0.05 0.00 -0.26 0.00 0.00 64.21 63.79 2k9f n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2k9f s VAL 107 N -3.22 0.00 0.14 -3.33 0.11 -1.26 -5.18 120.40 107.66 2k9f s VAL 107 Ca 0.40 0.00 0.07 0.00 -2.93 0.00 0.00 61.98 59.53 2k9f s VAL 107 Cb 0.38 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 2k9f s VAL 107 CO -0.03 0.00 -0.17 -0.31 -3.33 0.00 0.00 175.10 171.26 2k9f s TYR 108 N -1.56 1.64 -0.29 1.54 2.02 -1.26 -3.64 117.35 115.80 2k9f s TYR 108 Ca -0.02 -0.50 -0.19 0.00 -0.37 0.00 0.00 57.07 55.99 2k9f s TYR 108 Cb -0.00 -0.84 -0.02 0.00 -0.40 0.00 0.00 41.96 40.70 2k9f s TYR 108 CO 0.01 0.24 0.56 -1.25 -1.57 0.00 0.00 175.55 173.54 2k9f s PRO 109 N -2.66 3.95 0.05 -1.71 0.05 -1.25 -4.80 135.00 128.64 2k9f s PRO 109 Ca 0.12 0.26 -0.22 0.00 0.05 0.00 0.00 61.00 61.21 2k9f s PRO 109 Cb -0.06 -3.70 -0.06 0.00 0.05 0.00 0.00 34.50 30.73 2k9f s PRO 109 CO 0.05 -0.47 0.66 -1.12 0.05 0.00 0.00 177.00 176.17 2k9f s SER 110 N 1.60 7.11 -0.27 6.66 0.01 -1.20 -4.16 113.70 123.45 2k9f s SER 110 Ca 0.22 1.32 -0.03 0.00 1.31 0.00 0.00 55.95 58.78 2k9f s SER 110 Cb -0.15 -2.41 0.03 0.00 0.21 0.00 0.00 66.02 63.70 2k9f s SER 110 CO 0.11 0.13 -0.01 0.26 0.41 0.00 0.00 173.24 174.13 2k9f s TRP 111 N -0.46 3.14 -0.31 2.43 0.52 -0.31 -1.09 118.94 122.86 2k9f s TRP 111 Ca 0.33 -1.53 -0.12 0.00 0.02 0.00 0.00 56.10 54.80 2k9f s TRP 111 Cb -0.20 -2.12 -0.03 0.00 -1.15 0.00 0.00 33.47 29.98 2k9f s TRP 111 CO 0.20 -0.72 0.21 0.00 0.02 0.00 0.00 176.95 176.66 2k9f s ALA 112 N 1.34 3.47 -0.33 0.98 0.00 0.11 -0.88 121.76 126.45 2k9f s ALA 112 Ca -0.01 -1.29 -0.18 0.00 0.00 0.00 0.00 51.96 50.48 2k9f s ALA 112 Cb -0.18 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.38 2k9f s ALA 112 CO -0.02 -0.82 0.50 -1.17 0.00 0.00 0.00 175.76 174.25 2k9f s LEU 113 N 1.71 4.28 -0.18 0.00 2.96 0.79 -0.76 118.68 127.48 2k9f s LEU 113 Ca 0.06 0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.98 2k9f s LEU 113 Cb -0.17 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.90 2k9f s LEU 113 CO 0.10 -0.43 0.05 -0.63 -1.32 0.00 0.00 176.35 174.12 2k9f s ILE 114 N 2.35 4.63 1.14 6.68 1.09 0.13 0.23 121.20 137.46 2k9f s ILE 114 Ca 0.19 -0.09 -0.19 0.00 -1.10 0.00 0.00 60.65 59.46 2k9f s ILE 114 Cb -0.15 -3.08 0.27 0.00 -1.06 0.00 0.00 42.46 38.43 2k9f s ILE 114 CO 0.12 0.46 1.17 -0.83 -0.10 0.00 0.00 174.94 175.77 2k9f s GLY 115 N 0.41 1.64 0.17 6.18 0.00 0.98 -1.29 107.32 115.41 2k9f s GLY 115 Ca 0.02 -1.04 0.20 0.00 0.00 0.00 0.00 44.72 43.90 2k9f s GLY 115 CO 0.01 -0.18 1.62 0.28 0.00 0.00 0.00 173.10 174.83 2k9f n LYS 116 N -4.49 0.13 0.01 2.90 5.02 -1.26 -1.75 118.16 118.71 2k9f n LYS 116 Ca 0.14 0.37 0.13 0.00 -2.02 0.00 0.00 58.31 56.93 2k9f n LYS 116 Cb 0.59 -1.74 0.50 0.00 -0.02 0.00 0.00 35.03 34.36 2k9f n LYS 116 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k9f n ASP 117 N -1.98 0.22 -0.49 4.39 8.00 -1.26 -4.38 116.55 121.04 2k9f n ASP 117 Ca 0.03 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2k9f n ASP 117 Cb 0.21 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 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 1.47 0.82 3.25 0.44 0.00 -0.72 -5.09 105.19 105.36 2k9f n GLY 118 Ca 0.06 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.68 -0.13 -0.09 1.61 -4.77 -1.26 -4.96 116.67 104.39 2k9f s ASP 119 Ca 0.00 -0.13 -0.30 0.00 -3.30 0.00 0.00 52.55 48.83 2k9f s ASP 119 Cb 0.00 0.34 -0.04 0.00 -1.09 0.00 0.00 42.92 42.13 2k9f s ASP 119 CO 0.00 -0.57 1.50 -0.69 0.70 0.00 0.00 175.17 176.10 2k9f s VAL 120 N -2.25 3.85 -0.18 2.11 1.01 -1.26 -0.02 120.40 123.66 2k9f s VAL 120 Ca -0.07 1.04 0.18 0.00 0.00 0.00 0.00 61.98 63.13 2k9f s VAL 120 Cb -0.02 -3.67 -0.26 0.00 0.00 0.00 0.00 36.38 32.43 2k9f s VAL 120 CO -0.01 -0.09 0.12 1.67 0.00 0.00 0.00 175.10 176.78 2k9f n GLN 121 N 6.86 0.69 -3.63 2.72 7.27 0.14 -4.88 117.38 126.54 2k9f n GLN 121 Ca 0.16 -0.03 -0.15 0.00 0.07 0.00 0.00 57.00 57.05 2k9f n GLN 121 Cb 0.44 -1.52 -0.07 0.00 2.41 0.00 0.00 30.24 31.49 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 -2.60 0.84 -0.13 3.69 6.06 -1.06 -5.02 118.95 120.72 2k9f s ARG 122 Ca -0.10 0.34 -0.01 0.00 -2.50 0.00 0.00 55.73 53.46 2k9f s ARG 122 Cb 0.07 0.40 0.04 0.00 0.06 0.00 0.00 34.95 35.51 2k9f s ARG 122 CO 0.84 -0.21 -0.04 -1.50 -2.50 0.00 0.00 175.30 171.89 2k9f s ILE 123 N -0.72 0.85 -0.14 4.11 1.10 -1.26 -0.15 121.20 124.99 2k9f s ILE 123 Ca -0.08 -0.35 -0.04 0.00 -0.51 0.00 0.00 60.65 59.67 2k9f s ILE 123 Cb -0.03 -1.01 -0.03 0.00 0.15 0.00 0.00 42.46 41.54 2k9f s ILE 123 CO 0.06 0.19 0.01 -0.69 -2.11 0.00 0.00 174.94 172.40 2k9f s VAL 124 N 1.76 4.32 -0.12 4.00 1.01 -0.06 -4.99 120.40 126.32 2k9f s VAL 124 Ca 0.03 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2k9f s VAL 124 Cb -0.14 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.36 2k9f s VAL 124 CO -0.07 0.53 -0.22 -0.54 0.00 0.00 0.00 175.10 174.80 2k9f s LYS 125 N -0.09 2.92 0.00 2.72 1.02 -1.26 -1.16 119.74 123.89 2k9f s LYS 125 Ca 0.04 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.21 2k9f s LYS 125 Cb -0.13 -2.33 0.00 0.00 -0.52 0.00 0.00 37.83 34.86 2k9f s LYS 125 CO 0.02 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.89 2k9f n GLY 126 N 3.93 0.47 3.64 -3.33 0.00 -1.26 -5.07 105.19 103.57 2k9f n GLY 126 Ca -0.20 -0.15 -0.06 0.00 0.00 0.00 0.00 46.02 45.61 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 -4.00 -0.50 0.20 1.61 0.01 -1.26 -3.82 113.70 105.94 2k9f s SER 127 Ca 0.00 0.88 0.11 0.00 1.31 0.00 0.00 55.95 58.25 2k9f s SER 127 Cb 0.00 1.04 -0.04 0.00 0.21 0.00 0.00 66.02 67.23 2k9f s SER 127 CO 0.00 -0.15 -0.22 0.27 0.41 0.00 0.00 173.24 173.56 2k9f s ILE 128 N 0.78 2.49 0.41 1.44 -4.36 -1.26 -5.14 121.20 115.55 2k9f s ILE 128 Ca -0.03 -2.02 0.08 0.00 -0.26 0.00 0.00 60.65 58.42 2k9f s ILE 128 Cb -0.04 -2.21 -0.04 0.00 1.25 0.00 0.00 42.46 41.42 2k9f s ILE 128 CO -0.11 -0.15 0.27 0.54 0.24 0.00 0.00 174.94 175.74 2k9f s ASN 129 N -2.78 4.74 0.28 4.36 2.20 -1.26 -5.00 114.94 117.48 2k9f s ASN 129 Ca 0.22 -0.90 -0.02 0.00 -0.94 0.00 0.00 52.86 51.23 2k9f s ASN 129 Cb -0.08 -0.55 0.44 0.00 -2.00 0.00 0.00 41.25 39.06 2k9f s ASN 129 CO 0.11 -0.57 1.91 -0.08 -2.94 0.00 0.00 177.10 175.52 2k9f h GLU 130 N 1.25 1.11 -0.93 3.55 4.81 -2.01 -0.89 114.58 121.47 2k9f h GLU 130 Ca -0.42 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 58.76 2k9f h GLU 130 Cb 1.26 -0.25 -0.05 0.00 0.63 0.00 0.00 28.75 30.34 2k9f h GLU 130 CO 0.64 0.74 0.61 0.00 -0.73 0.00 0.00 179.01 180.26 2k9f h ALA 131 N 1.47 1.19 -0.38 2.92 0.00 -2.00 -1.67 119.26 120.79 2k9f h ALA 131 Ca 0.40 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 55.12 2k9f h ALA 131 Cb 0.11 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2k9f h ALA 131 CO -0.14 0.54 -0.29 0.37 0.00 0.00 0.00 179.25 179.72 2k9f h GLN 132 N 1.23 0.82 -0.43 0.00 4.15 -1.72 -2.55 115.11 116.61 2k9f h GLN 132 Ca 0.35 -0.37 0.01 0.00 0.77 0.00 0.00 58.65 59.41 2k9f h GLN 132 Cb -0.10 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 2k9f h GLN 132 CO -0.09 1.00 0.28 0.00 -1.93 0.00 0.00 178.83 178.09 2k9f h ALA 133 N 0.97 0.54 -0.46 3.38 0.00 -0.46 -0.75 119.26 122.48 2k9f h ALA 133 Ca 0.08 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2k9f h ALA 133 Cb 0.83 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2k9f h ALA 133 CO 0.07 -0.02 -0.01 -0.07 0.00 0.00 0.00 179.25 179.23 2k9f h LEU 134 N 0.56 0.73 -0.61 0.00 3.38 -1.26 -2.67 115.31 115.45 2k9f h LEU 134 Ca 0.16 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2k9f h LEU 134 Cb -0.05 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2k9f h LEU 134 CO -0.04 0.81 0.12 0.00 0.09 0.00 0.00 178.44 179.41 2k9f h ALA 135 N 1.28 0.81 -0.18 1.53 0.00 -0.99 -2.39 119.26 119.31 2k9f h ALA 135 Ca 0.14 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 2k9f h ALA 135 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2k9f h ALA 135 CO 0.02 0.55 -0.01 1.25 0.00 0.00 0.00 179.25 181.05 2k9f h LEU 136 N 0.90 0.23 -0.58 0.00 5.85 -0.86 0.20 115.31 121.07 2k9f h LEU 136 Ca 0.19 -0.03 -0.16 0.00 0.84 0.00 0.00 57.88 58.72 2k9f h LEU 136 Cb 0.40 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2k9f h LEU 136 CO 0.01 0.29 -0.65 0.40 -0.34 0.00 0.00 178.44 178.15 2k9f h ILE 137 N 0.26 1.40 0.16 4.05 2.04 -1.15 -3.20 117.51 121.08 2k9f h ILE 137 Ca 0.06 -2.09 -0.31 0.00 1.00 0.00 0.00 64.86 63.52 2k9f h ILE 137 Cb 0.20 2.08 0.03 0.00 -0.74 0.00 0.00 36.82 38.39 2k9f h ILE 137 CO 0.00 0.62 -1.32 0.03 0.00 0.00 0.00 178.15 177.48 2k9f h ARG 138 N 0.18 0.60 -2.49 2.37 3.08 -0.82 -3.45 114.38 113.84 2k9f h ARG 138 Ca -0.01 -0.86 -0.11 0.00 0.07 0.00 0.00 59.98 59.07 2k9f h ARG 138 Cb 1.18 0.29 -0.28 0.00 0.08 0.00 0.00 29.97 31.25 2k9f h ARG 138 CO 0.10 1.40 -0.39 0.34 -1.07 0.00 0.00 179.97 180.35 2k9f s ASP 139 N -7.47 -0.18 0.00 7.04 -1.08 0.62 -5.02 116.67 110.58 2k9f s ASP 139 Ca -0.09 0.91 0.14 0.00 -0.52 0.00 0.00 52.55 52.99 2k9f s ASP 139 Cb 0.05 1.29 0.66 0.00 -1.46 0.00 0.00 42.92 43.46 2k9f s ASP 139 CO 0.94 -0.24 1.39 -2.65 0.52 0.00 0.00 175.17 175.13 2k9f n PRO 140 N 5.39 0.13 -0.16 4.34 -0.02 -1.21 -2.15 135.00 141.31 2k9f n PRO 140 Ca -0.08 0.19 0.12 0.00 -2.02 0.00 0.00 63.50 61.71 2k9f n PRO 140 Cb 0.49 -1.50 0.22 0.00 -0.02 0.00 0.00 33.50 32.69 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 -1.36 3.29 -3.93 2.55 3.02 -1.26 -4.70 115.26 112.87 2k9f n ASN 141 Ca 0.05 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.21 2k9f n ASN 141 Cb 0.13 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.09 2k9f n ASN 141 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k9f n ALA 142 N 1.40 5.12 -1.79 5.41 0.00 -0.91 -4.97 120.51 124.76 2k9f n ALA 142 Ca 0.19 -3.97 -0.33 0.00 0.00 0.00 0.00 53.44 49.32 2k9f n ALA 142 Cb 0.59 -3.42 -0.04 0.00 0.00 0.00 0.00 19.45 16.58 2k9f n ALA 142 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k9f s ASP 143 N 2.91 6.45 0.00 0.00 -1.08 -1.26 -4.73 116.67 118.97 2k9f s ASP 143 Ca 0.47 1.82 0.00 0.00 -0.52 0.00 0.00 52.55 54.32 2k9f s ASP 143 Cb 0.11 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.02 2k9f s ASP 143 CO -0.04 -0.70 0.00 0.00 0.52 0.00 0.00 175.17 174.95