#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klx s PRO -2 N 0.00 0.29 0.65 1.61 0.04 -1.26 -5.06 135.00 131.26 2klx s PRO -2 Ca 0.00 0.48 -0.07 0.00 0.04 0.00 0.00 61.00 61.45 2klx s PRO -2 Cb 0.00 -1.72 0.14 0.00 0.04 0.00 0.00 34.50 32.96 2klx s PRO -2 CO 0.00 -2.82 0.88 0.41 0.04 0.00 0.00 177.00 175.51 2klx n GLY -1 N -1.06 -0.43 3.60 0.56 0.00 -1.26 -5.11 105.19 101.50 2klx n GLY -1 Ca 0.05 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.22 2klx n GLY -1 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2klx s SER 0 N -4.36 -1.12 -0.03 1.61 0.01 -1.26 -5.16 113.70 103.38 2klx s SER 0 Ca 0.53 1.48 0.02 0.00 1.31 0.00 0.00 55.95 59.30 2klx s SER 0 Cb -0.02 2.26 0.01 0.00 0.21 0.00 0.00 66.02 68.47 2klx s SER 0 CO 0.36 -0.21 -0.08 0.00 0.41 0.00 0.00 173.24 173.72 2klx s MET 1 N 2.87 0.97 0.75 12.44 0.23 -1.26 -5.12 119.30 130.18 2klx s MET 1 Ca -0.04 -0.26 -0.03 0.00 -1.03 0.00 0.00 55.69 54.34 2klx s MET 1 Cb -0.12 -0.90 0.14 0.00 -1.53 0.00 0.00 34.83 32.42 2klx s MET 1 CO -0.19 0.05 1.04 0.15 -2.03 0.00 0.00 175.02 174.04 2klx s LYS 2 N 0.41 1.53 0.03 3.16 3.01 -1.26 -5.03 119.74 121.59 2klx s LYS 2 Ca -0.06 -1.05 0.03 0.00 -1.01 0.00 0.00 55.97 53.88 2klx s LYS 2 Cb -0.10 -2.27 -0.02 0.00 -1.01 0.00 0.00 37.83 34.42 2klx s LYS 2 CO 0.01 -1.58 -0.08 -1.83 0.51 0.00 0.00 175.35 172.38 2klx s GLU 3 N -5.24 0.57 -0.12 1.68 -1.05 -0.71 -4.04 118.70 109.78 2klx s GLU 3 Ca 0.67 -0.61 -0.05 0.00 -0.15 0.00 0.00 54.97 54.83 2klx s GLU 3 Cb -0.05 -0.44 -0.04 0.00 -0.44 0.00 0.00 34.13 33.17 2klx s GLU 3 CO 0.45 0.10 0.06 -1.50 0.95 0.00 0.00 175.26 175.32 2klx s ILE 4 N -0.96 4.79 -0.07 1.83 -1.16 -1.25 -0.87 121.20 123.50 2klx s ILE 4 Ca -0.05 -0.06 0.01 0.00 -0.51 0.00 0.00 60.65 60.04 2klx s ILE 4 Cb -0.08 -3.07 0.02 0.00 0.61 0.00 0.00 42.46 39.94 2klx s ILE 4 CO 0.00 0.58 -0.07 -0.63 -2.81 0.00 0.00 174.94 172.01 2klx s ILE 5 N -0.64 0.83 -0.20 2.00 1.01 0.00 -1.39 121.20 122.82 2klx s ILE 5 Ca 0.11 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.45 2klx s ILE 5 Cb -0.12 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 2klx s ILE 5 CO 0.02 0.31 0.02 -1.48 0.00 0.00 0.00 174.94 173.81 2klx s LEU 6 N 1.14 3.45 -0.40 2.97 2.34 -0.38 0.26 118.68 128.07 2klx s LEU 6 Ca -0.07 -0.11 -0.10 0.00 0.06 0.00 0.00 54.13 53.91 2klx s LEU 6 Cb -0.14 -1.87 0.05 0.00 -0.56 0.00 0.00 46.19 43.67 2klx s LEU 6 CO -0.01 0.10 0.24 -0.31 -1.06 0.00 0.00 176.35 175.30 2klx s TYR 7 N 0.81 3.28 -0.00 3.48 2.02 -0.28 -0.32 117.35 126.33 2klx s TYR 7 Ca 0.02 -1.22 0.00 0.00 -0.37 0.00 0.00 57.07 55.49 2klx s TYR 7 Cb -0.14 -2.69 0.00 0.00 -0.40 0.00 0.00 41.96 38.73 2klx s TYR 7 CO 0.02 -0.75 0.00 0.25 -1.57 0.00 0.00 175.55 173.50 2klx n THR 8 N 4.97 0.00 -2.74 -0.71 -2.24 -0.62 -1.86 114.28 111.07 2klx n THR 8 Ca -0.11 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.39 2klx n THR 8 Cb 0.44 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.67 2klx n THR 8 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2klx s ARG 9 N -1.86 3.59 0.00 -0.78 1.70 -1.26 -1.78 118.95 118.55 2klx s ARG 9 Ca 0.00 0.22 0.14 0.00 -0.47 0.00 0.00 55.73 55.63 2klx s ARG 9 Cb 0.00 -2.40 0.67 0.00 -0.57 0.00 0.00 34.95 32.64 2klx s ARG 9 CO 0.00 -0.14 1.44 -0.35 -1.08 0.00 0.00 175.30 175.17 2klx n PRO 10 N -1.98 0.09 -2.25 3.89 -0.04 -1.26 -3.52 135.00 129.92 2klx n PRO 10 Ca 0.01 0.21 -0.40 0.00 -0.04 0.00 0.00 63.50 63.28 2klx n PRO 10 Cb 0.55 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.54 2klx n PRO 10 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2klx n ASN 11 N -1.41 7.36 -4.09 3.54 4.13 -1.26 -4.90 115.26 118.63 2klx n ASN 11 Ca 0.05 -3.77 -0.35 0.00 1.68 0.00 0.00 54.58 52.19 2klx n ASN 11 Cb 0.15 -1.09 -0.12 0.00 -1.54 0.00 0.00 39.78 37.17 2klx n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2klx n PRO 13 N 4.30 0.18 -0.11 0.00 -0.04 -1.26 -2.96 135.00 135.11 2klx n PRO 13 Ca 0.01 0.16 -0.16 0.00 -0.04 0.00 0.00 63.50 63.47 2klx n PRO 13 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 2klx n PRO 13 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2klx n TYR 14 N -1.32 0.00 0.23 0.54 4.11 -1.26 -4.40 117.16 115.06 2klx n TYR 14 Ca 0.06 0.00 0.18 0.00 -0.00 0.00 0.00 57.90 58.15 2klx n TYR 14 Cb 0.13 -0.82 0.84 0.00 -0.00 0.00 0.00 39.34 39.49 2klx n TYR 14 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2klx h LYS 16 N 0.00 0.16 -0.18 0.00 1.57 -1.76 0.15 116.57 116.51 2klx h LYS 16 Ca 0.08 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 2klx h LYS 16 Cb 0.66 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 2klx h LYS 16 CO -0.00 0.10 0.00 0.00 -0.57 0.00 0.00 179.45 178.99 2klx h ARG 17 N 0.16 0.32 0.38 3.15 3.08 -1.55 0.20 114.38 120.13 2klx h ARG 17 Ca 0.57 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.50 2klx h ARG 17 Cb 1.90 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.92 2klx h ARG 17 CO -0.13 0.53 -0.18 0.00 -1.07 0.00 0.00 179.97 179.11 2klx h ALA 18 N 0.78 -0.51 -0.63 0.04 0.00 -0.91 -1.26 119.26 116.78 2klx h ALA 18 Ca 0.05 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2klx h ALA 18 Cb 0.38 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2klx h ALA 18 CO 0.01 -0.74 0.41 0.07 0.00 0.00 0.00 179.25 179.00 2klx h ARG 19 N -0.60 0.83 -0.12 0.00 0.11 -1.37 -1.76 114.38 111.47 2klx h ARG 19 Ca -0.05 -0.05 -0.01 0.00 0.10 0.00 0.00 59.98 59.97 2klx h ARG 19 Cb 0.44 -0.19 -0.01 0.00 1.11 0.00 0.00 29.97 31.33 2klx h ARG 19 CO 0.09 0.55 0.05 0.22 0.10 0.00 0.00 179.97 180.97 2klx h ASP 20 N 0.85 0.16 -0.33 0.08 3.58 -0.73 -1.52 116.42 118.51 2klx h ASP 20 Ca 0.23 -0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2klx h ASP 20 Cb -0.10 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2klx h ASP 20 CO -0.05 0.27 0.21 0.25 -2.88 0.00 0.00 179.24 177.04 2klx h LEU 21 N 0.04 0.39 0.51 2.28 6.46 -0.83 0.60 115.31 124.76 2klx h LEU 21 Ca 0.04 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2klx h LEU 21 Cb 0.16 -0.10 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2klx h LEU 21 CO -0.00 0.31 -0.42 -0.07 -0.62 0.00 0.00 178.44 177.64 2klx h LEU 22 N 0.43 -1.10 -1.84 2.25 4.07 -1.24 -0.01 115.31 117.87 2klx h LEU 22 Ca 0.12 0.08 0.03 0.00 0.08 0.00 0.00 57.88 58.19 2klx h LEU 22 Cb -0.01 0.35 -0.01 0.00 1.08 0.00 0.00 40.66 42.07 2klx h LEU 22 CO -0.02 -0.60 0.18 -0.78 -1.08 0.00 0.00 178.44 176.14 2klx h ASP 23 N -0.92 0.18 -0.53 -0.43 3.58 -1.21 -1.34 116.42 115.75 2klx h ASP 23 Ca -0.06 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.27 2klx h ASP 23 Cb 0.78 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.77 2klx h ASP 23 CO -0.01 0.12 -0.13 0.50 -2.88 0.00 0.00 179.24 176.85 2klx h LYS 24 N 0.21 1.02 -0.05 0.28 3.64 -0.20 -2.96 116.57 118.51 2klx h LYS 24 Ca 0.11 -0.39 -0.14 0.00 -1.27 0.00 0.00 60.65 58.96 2klx h LYS 24 Cb 0.18 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 2klx h LYS 24 CO -0.02 1.08 -0.61 0.87 -2.27 0.00 0.00 179.45 178.50 2klx h LYS 25 N 0.90 0.18 0.00 1.90 1.79 -0.04 -3.48 116.57 117.83 2klx h LYS 25 Ca 0.13 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2klx h LYS 25 Cb 0.70 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 2klx h LYS 25 CO 0.05 0.73 0.00 0.41 -1.08 0.00 0.00 179.45 179.56 2klx n GLY 26 N 0.25 0.72 3.62 3.86 0.00 -0.60 -5.11 105.19 107.93 2klx n GLY 26 Ca -0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.72 2klx n GLY 26 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2klx s VAL 27 N -1.15 1.33 -0.32 1.61 -7.23 -1.09 -5.04 120.40 108.50 2klx s VAL 27 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 2klx s VAL 27 Cb 0.00 -2.56 0.04 0.00 0.56 0.00 0.00 36.38 34.41 2klx s VAL 27 CO 0.00 0.00 0.08 -0.54 -0.31 0.00 0.00 175.10 174.33 2klx s LYS 28 N -3.80 2.68 -0.12 4.82 -0.14 -1.26 -4.55 119.74 117.37 2klx s LYS 28 Ca 0.23 -1.13 -0.05 0.00 -1.36 0.00 0.00 55.97 53.66 2klx s LYS 28 Cb 0.06 -3.38 -0.04 0.00 -1.68 0.00 0.00 37.83 32.79 2klx s LYS 28 CO 0.12 -0.61 0.07 1.52 -0.76 0.00 0.00 175.35 175.69 2klx s TYR 29 N 1.39 3.35 -0.30 3.18 -0.85 -1.26 -4.00 117.35 118.86 2klx s TYR 29 Ca -0.01 0.31 -0.11 0.00 -0.52 0.00 0.00 57.07 56.73 2klx s TYR 29 Cb -0.19 -1.90 -0.03 0.00 0.38 0.00 0.00 41.96 40.22 2klx s TYR 29 CO 0.02 0.53 0.19 0.99 -1.52 0.00 0.00 175.55 175.76 2klx s THR 30 N -0.74 5.17 -0.42 -3.49 2.01 -0.48 -5.00 115.64 112.68 2klx s THR 30 Ca 0.12 -0.03 -0.24 0.00 0.31 0.00 0.00 61.69 61.86 2klx s THR 30 Cb -0.12 -3.54 0.02 0.00 0.01 0.00 0.00 72.50 68.88 2klx s THR 30 CO 0.03 0.16 0.83 1.51 -0.69 0.00 0.00 174.62 176.45 2klx s ASP 31 N 1.73 6.49 -0.26 3.53 -4.77 -1.26 -1.25 116.67 120.88 2klx s ASP 31 Ca 0.06 0.11 -0.13 0.00 -3.30 0.00 0.00 52.55 49.30 2klx s ASP 31 Cb -0.16 -2.41 -0.04 0.00 -1.09 0.00 0.00 42.92 39.21 2klx s ASP 31 CO 0.10 -0.89 0.28 -0.63 0.70 0.00 0.00 175.17 174.73 2klx s ILE 32 N 3.36 5.25 0.45 2.11 -1.09 0.56 -4.99 121.20 126.86 2klx s ILE 32 Ca 0.32 0.40 -0.25 0.00 -2.23 0.00 0.00 60.65 58.89 2klx s ILE 32 Cb -0.12 -3.61 -0.09 0.00 -1.58 0.00 0.00 42.46 37.06 2klx s ILE 32 CO 0.22 0.24 1.34 0.47 -1.23 0.00 0.00 174.94 175.98 2klx n ASP 33 N 4.91 2.85 0.32 3.58 8.00 -1.26 -1.59 116.55 133.37 2klx n ASP 33 Ca -0.11 1.09 0.19 0.00 0.71 0.00 0.00 54.79 56.67 2klx n ASP 33 Cb 0.51 -1.55 1.03 0.00 -0.02 0.00 0.00 41.12 41.09 2klx n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2klx h ALA 34 N 2.06 1.22 -0.89 2.24 0.00 -1.71 -3.39 119.26 118.80 2klx h ALA 34 Ca -0.49 -0.00 -0.61 0.00 0.00 0.00 0.00 54.91 53.80 2klx h ALA 34 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2klx h ALA 34 CO 0.60 -0.16 1.51 -1.13 0.00 0.00 0.00 179.25 180.07 2klx n SER 35 N -3.09 1.71 0.21 0.00 3.41 -1.26 -4.76 113.62 109.83 2klx n SER 35 Ca -0.02 0.23 0.18 0.00 -0.26 0.00 0.00 58.87 59.00 2klx n SER 35 Cb 0.21 -1.23 0.84 0.00 -0.26 0.00 0.00 64.21 63.78 2klx n SER 35 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 2klx h THR 36 N 7.36 0.37 -0.92 6.66 1.35 -1.94 0.18 112.91 125.97 2klx h THR 36 Ca -0.21 0.00 0.25 0.00 -0.55 0.00 0.00 66.41 65.90 2klx h THR 36 Cb 1.32 0.80 -0.05 0.00 -1.73 0.00 0.00 68.15 68.49 2klx h THR 36 CO 1.12 0.00 0.65 -1.28 -0.25 0.00 0.00 175.52 175.76 2klx h SER 37 N 0.00 0.11 0.00 5.36 0.87 -1.94 0.59 113.55 118.54 2klx h SER 37 Ca 0.09 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 2klx h SER 37 Cb 0.57 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2klx h SER 37 CO -0.00 0.04 -0.90 0.18 -0.53 0.00 0.00 176.83 175.62 2klx n LEU 38 N -4.34 0.00 -0.07 2.23 4.77 -0.47 -4.60 117.00 114.52 2klx n LEU 38 Ca 0.20 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.04 2klx n LEU 38 Cb 0.92 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.95 2klx n LEU 38 CO 0.36 0.00 0.57 -0.09 -1.33 0.00 0.00 177.39 176.90 2klx h ARG 39 N 0.00 0.53 -0.41 3.23 1.12 -0.56 -0.76 114.38 117.53 2klx h ARG 39 Ca 0.00 -0.29 0.00 0.00 -1.11 0.00 0.00 59.98 58.58 2klx h ARG 39 Cb 0.89 0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.85 2klx h ARG 39 CO 0.00 0.88 0.27 0.37 -3.11 0.00 0.00 179.97 178.38 2klx h GLN 40 N 0.22 0.53 -0.40 0.20 4.15 -1.07 0.22 115.11 118.95 2klx h GLN 40 Ca 0.03 -0.03 -0.10 0.00 0.77 0.00 0.00 58.65 59.31 2klx h GLN 40 Cb 0.80 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.36 2klx h GLN 40 CO 0.06 0.35 -0.16 1.05 -1.93 0.00 0.00 178.83 178.20 2klx h GLU 41 N 0.55 0.81 0.22 1.69 4.11 -1.66 0.09 114.58 120.40 2klx h GLU 41 Ca 0.15 -0.34 -0.01 0.00 0.07 0.00 0.00 59.36 59.23 2klx h GLU 41 Cb -0.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2klx h GLU 41 CO -0.03 0.97 -0.11 0.52 0.07 0.00 0.00 179.01 180.43 2klx h MET 42 N 0.62 -0.29 -0.34 1.06 2.86 -0.87 -1.62 114.93 116.36 2klx h MET 42 Ca 0.09 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.70 2klx h MET 42 Cb 0.71 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.41 2klx h MET 42 CO 0.05 -0.07 -0.00 -0.24 1.06 0.00 0.00 176.91 177.71 2klx h VAL 43 N -0.47 1.20 -0.01 -2.22 3.04 -0.60 0.24 116.25 117.42 2klx h VAL 43 Ca -0.03 -0.79 -0.00 0.00 -1.01 0.00 0.00 66.70 64.87 2klx h VAL 43 Cb 0.36 0.95 -0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2klx h VAL 43 CO 0.05 0.27 0.00 1.56 -1.01 0.00 0.00 177.57 178.45 2klx h GLN 44 N 0.50 0.02 0.00 4.17 4.20 -0.82 -1.51 115.11 121.67 2klx h GLN 44 Ca 0.11 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2klx h GLN 44 Cb 0.33 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 2klx h GLN 44 CO 0.01 0.15 -0.08 -2.13 -0.67 0.00 0.00 178.83 176.11 2klx n ARG 45 N -5.01 0.06 0.08 1.46 3.00 -0.62 0.64 116.66 116.26 2klx n ARG 45 Ca -0.07 0.04 -0.21 0.00 -0.00 0.00 0.00 57.85 57.61 2klx n ARG 45 Cb 0.09 -1.56 -0.14 0.00 0.00 0.00 0.00 32.46 30.84 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klx h ALA 46 N 2.89 -0.09 0.00 5.13 0.00 -0.14 -3.41 119.26 123.64 2klx h ALA 46 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 54.04 2klx h ALA 46 Cb 0.55 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2klx h ALA 46 CO 0.00 0.50 -1.49 0.27 0.00 0.00 0.00 179.25 178.53 2klx n ASN 47 N -3.98 3.33 0.00 0.00 0.23 -0.60 -4.96 115.26 109.28 2klx n ASN 47 Ca -0.14 -0.04 0.00 0.00 -0.53 0.00 0.00 54.58 53.87 2klx n ASN 47 Cb 0.91 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.61 2klx n ASN 47 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2klx n GLY 48 N 3.00 3.28 3.23 4.83 0.00 0.21 -5.07 105.19 114.67 2klx n GLY 48 Ca -0.15 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.49 2klx n GLY 48 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2klx s ARG 49 N 0.00 0.29 -0.21 1.61 3.52 -1.14 -4.73 118.95 118.28 2klx s ARG 49 Ca 0.00 0.57 -0.31 0.00 -0.13 0.00 0.00 55.73 55.86 2klx s ARG 49 Cb 0.00 0.33 0.16 0.00 -1.56 0.00 0.00 34.95 33.87 2klx s ARG 49 CO 0.00 -0.24 1.19 1.21 -0.81 0.00 0.00 175.30 176.65 2klx s ASN 50 N 2.78 -0.17 -0.39 -2.12 2.47 -1.26 -4.95 114.94 111.29 2klx s ASN 50 Ca 0.02 0.14 0.11 0.00 0.42 0.00 0.00 52.86 53.55 2klx s ASN 50 Cb -0.10 0.15 0.39 0.00 -1.45 0.00 0.00 41.25 40.24 2klx s ASN 50 CO -0.15 -0.20 1.14 1.07 -3.72 0.00 0.00 177.10 175.24 2klx n THR 51 N 0.39 0.20 -3.75 -5.21 5.66 -1.26 -4.06 114.28 106.25 2klx n THR 51 Ca -0.03 -2.22 -0.10 0.00 -3.05 0.00 0.00 64.05 58.64 2klx n THR 51 Cb 0.58 0.89 -0.06 0.00 -1.55 0.00 0.00 70.33 70.19 2klx n THR 51 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 175.07 171.66 2klx s PHE 52 N -0.85 -0.06 0.31 1.09 0.40 -1.26 -5.03 117.98 112.58 2klx s PHE 52 Ca 0.25 -0.22 -0.29 0.00 -0.60 0.00 0.00 56.93 56.07 2klx s PHE 52 Cb 0.38 0.10 -0.10 0.00 0.51 0.00 0.00 43.02 43.91 2klx s PHE 52 CO -0.05 -0.57 1.23 -1.25 0.70 0.00 0.00 175.22 175.27 2klx s PRO 53 N -3.32 4.46 -0.06 0.24 0.04 -1.26 -5.01 135.00 130.10 2klx s PRO 53 Ca 0.00 2.06 -0.31 0.00 0.04 0.00 0.00 61.00 62.79 2klx s PRO 53 Cb 0.02 -3.12 0.12 0.00 0.04 0.00 0.00 34.50 31.56 2klx s PRO 53 CO -0.08 -0.04 1.36 1.14 0.04 0.00 0.00 177.00 179.42 2klx s GLN 54 N -1.64 0.18 -0.35 4.56 1.03 -0.78 -4.95 119.66 117.72 2klx s GLN 54 Ca 0.47 -0.11 -0.11 0.00 0.04 0.00 0.00 55.36 55.65 2klx s GLN 54 Cb -0.37 0.05 0.01 0.00 0.03 0.00 0.00 33.01 32.73 2klx s GLN 54 CO 0.48 -0.08 0.21 0.42 -2.54 0.00 0.00 175.29 173.78 2klx s ILE 55 N -2.08 4.82 -0.02 3.63 1.09 -1.17 -1.13 121.20 126.34 2klx s ILE 55 Ca 0.23 -0.55 -0.12 0.00 -1.10 0.00 0.00 60.65 59.12 2klx s ILE 55 Cb 0.03 -3.57 -0.05 0.00 -1.06 0.00 0.00 42.46 37.81 2klx s ILE 55 CO -0.04 -0.10 0.33 0.12 -0.10 0.00 0.00 174.94 175.16 2klx s PHE 56 N 1.63 3.67 -0.13 3.97 2.19 0.14 -0.37 117.98 129.08 2klx s PHE 56 Ca 0.04 0.83 -0.04 0.00 0.33 0.00 0.00 56.93 58.09 2klx s PHE 56 Cb -0.18 -2.17 0.05 0.00 -1.31 0.00 0.00 43.02 39.41 2klx s PHE 56 CO 0.08 0.65 0.10 0.96 1.83 0.00 0.00 175.22 178.84 2klx s ILE 57 N -1.11 -0.13 0.00 3.12 -5.25 0.80 -0.82 121.20 117.80 2klx s ILE 57 Ca 0.23 0.04 0.00 0.00 -0.99 0.00 0.00 60.65 59.93 2klx s ILE 57 Cb -0.15 -0.45 0.00 0.00 2.95 0.00 0.00 42.46 44.81 2klx s ILE 57 CO 0.12 -0.12 0.00 0.61 -1.79 0.00 0.00 174.94 173.76 2klx n GLY 58 N 5.29 0.27 1.15 6.27 0.00 -0.05 -0.86 105.19 117.27 2klx n GLY 58 Ca -0.06 0.67 0.03 0.00 0.00 0.00 0.00 46.02 46.66 2klx n GLY 58 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2klx n ASP 59 N 6.29 1.58 -3.89 1.61 8.00 -1.26 -4.89 116.55 123.99 2klx n ASP 59 Ca 0.00 -3.02 -0.11 0.00 0.71 0.00 0.00 54.79 52.37 2klx n ASP 59 Cb 0.00 -0.42 -0.11 0.00 -0.02 0.00 0.00 41.12 40.57 2klx n ASP 59 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2klx s TYR 60 N -1.93 0.06 -0.38 1.24 5.04 -0.03 -5.05 117.35 116.29 2klx s TYR 60 Ca 0.37 -0.12 -0.05 0.00 -2.44 0.00 0.00 57.07 54.82 2klx s TYR 60 Cb 0.38 -0.06 0.08 0.00 0.35 0.00 0.00 41.96 42.70 2klx s TYR 60 CO -0.10 -0.20 0.16 -3.38 -1.34 0.00 0.00 175.55 170.69 2klx s HIS 61 N -1.00 3.40 0.00 4.97 -3.43 -1.26 -0.14 115.29 117.82 2klx s HIS 61 Ca -0.11 -1.91 0.00 0.00 -0.80 0.00 0.00 55.06 52.25 2klx s HIS 61 Cb -0.06 -2.76 0.00 0.00 -1.43 0.00 0.00 32.58 28.33 2klx s HIS 61 CO 0.00 -0.87 0.68 0.28 -2.00 0.00 0.00 174.74 172.84 2klx n VAL 62 N 4.72 0.00 0.00 -5.38 0.31 0.51 -4.96 118.33 113.53 2klx n VAL 62 Ca -0.08 1.15 0.00 0.00 -0.01 0.00 0.00 64.34 65.40 2klx n VAL 62 Cb 0.43 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 2klx n VAL 62 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2klx n GLY 63 N -0.32 1.99 3.95 2.92 0.00 -1.23 -4.88 105.19 107.62 2klx n GLY 63 Ca 0.00 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 2klx n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2klx s GLY 64 N 0.00 1.36 -0.03 -0.02 0.00 -1.26 -3.03 107.32 104.34 2klx s GLY 64 Ca 0.00 -1.00 -0.17 0.00 0.00 0.00 0.00 44.72 43.56 2klx s GLY 64 CO 0.00 -0.93 0.71 0.00 0.00 0.00 0.00 173.10 172.88 2klx h ASP 66 N -1.13 0.00 -0.29 0.00 5.19 -1.96 -1.99 116.42 116.23 2klx h ASP 66 Ca -0.06 0.00 0.07 0.00 -0.62 0.00 0.00 57.03 56.41 2klx h ASP 66 Cb 0.46 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.91 2klx h ASP 66 CO 0.10 0.00 -0.15 0.44 -3.12 0.00 0.00 179.24 176.51 2klx h ASP 67 N 0.00 -0.51 -0.74 6.45 3.32 -1.96 0.12 116.42 123.09 2klx h ASP 67 Ca 0.14 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.37 2klx h ASP 67 Cb 0.77 0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.55 2klx h ASP 67 CO -0.00 -0.19 0.49 0.17 -1.72 0.00 0.00 179.24 177.99 2klx h LEU 68 N -0.11 0.70 0.18 1.55 8.10 -1.45 -0.77 115.31 123.50 2klx h LEU 68 Ca 0.15 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.14 2klx h LEU 68 Cb 0.35 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.42 2klx h LEU 68 CO -0.36 0.45 -0.08 1.88 -4.11 0.00 0.00 178.44 176.21 2klx h TYR 69 N 0.79 -0.22 -0.05 0.17 -1.99 -1.19 -0.90 116.97 113.59 2klx h TYR 69 Ca 0.32 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 61.07 2klx h TYR 69 Cb 0.23 0.07 -0.04 0.00 2.00 0.00 0.00 36.73 38.99 2klx h TYR 69 CO -0.00 0.16 -0.18 0.00 -0.00 0.00 0.00 178.16 178.14 2klx h ALA 70 N 0.05 -0.18 -0.21 3.88 0.00 -0.51 -0.22 119.26 122.06 2klx h ALA 70 Ca -0.02 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.92 2klx h ALA 70 Cb 0.47 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2klx h ALA 70 CO 0.04 -0.66 0.10 -0.07 0.00 0.00 0.00 179.25 178.66 2klx h LEU 71 N -0.26 0.15 -1.54 0.00 3.38 -1.21 0.29 115.31 116.10 2klx h LEU 71 Ca 0.07 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.14 2klx h LEU 71 Cb 0.36 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2klx h LEU 71 CO -0.20 0.11 0.43 -0.08 0.09 0.00 0.00 178.44 178.80 2klx h GLU 72 N 0.22 0.51 0.00 1.13 4.81 -0.80 0.37 114.58 120.82 2klx h GLU 72 Ca 0.09 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2klx h GLU 72 Cb 0.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 2klx h GLU 72 CO -0.07 0.34 -0.53 -0.97 -0.73 0.00 0.00 179.01 177.05 2klx h ASN 73 N 0.52 0.00 1.77 1.04 -0.73 -0.27 -3.10 115.58 114.81 2klx h ASN 73 Ca 0.30 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.42 2klx h ASN 73 Cb 0.47 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.05 2klx h ASN 73 CO -0.09 0.14 -0.23 0.11 -0.37 0.00 0.00 177.43 176.99 2klx h LYS 74 N 0.00 0.00 0.00 6.67 6.56 0.17 -3.47 116.57 126.50 2klx h LYS 74 Ca -0.02 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2klx h LYS 74 Cb 1.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 2klx h LYS 74 CO 0.02 0.20 0.00 0.41 -2.06 0.00 0.00 179.45 178.01 2klx n GLY 75 N 1.15 -0.18 0.24 3.86 0.00 -0.29 -4.99 105.19 104.98 2klx n GLY 75 Ca 0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.14 2klx n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2klx n LYS 76 N 0.00 1.32 -0.32 1.61 4.76 0.11 -4.07 118.16 121.57 2klx n LYS 76 Ca 0.00 -0.47 0.09 0.00 -2.87 0.00 0.00 58.31 55.06 2klx n LYS 76 Cb 0.00 -1.32 0.26 0.00 -1.84 0.00 0.00 35.03 32.13 2klx n LYS 76 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2klx h LEU 77 N 0.95 0.62 -0.51 -0.35 6.46 -1.65 -0.58 115.31 120.25 2klx h LEU 77 Ca 0.00 0.09 0.09 0.00 -0.12 0.00 0.00 57.88 57.94 2klx h LEU 77 Cb 0.21 -0.01 -0.07 0.00 -0.73 0.00 0.00 40.66 40.06 2klx h LEU 77 CO 0.00 0.24 0.11 -0.78 -0.62 0.00 0.00 178.44 177.39 2klx h ASP 78 N 0.68 0.02 0.02 1.25 3.58 -1.89 0.24 116.42 120.32 2klx h ASP 78 Ca 0.50 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 58.04 2klx h ASP 78 Cb 0.74 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.90 2klx h ASP 78 CO -0.37 0.03 -0.01 -1.28 -2.88 0.00 0.00 179.24 174.73 2klx h SER 79 N 0.25 -0.02 -0.09 2.28 0.87 -1.46 -0.19 113.55 115.19 2klx h SER 79 Ca 0.25 -0.33 0.04 0.00 -1.23 0.00 0.00 61.79 60.53 2klx h SER 79 Cb 0.34 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 2klx h SER 79 CO -0.33 0.31 -0.17 -0.07 -0.53 0.00 0.00 176.83 176.05 2klx h LEU 80 N -0.37 -0.52 -0.90 2.23 -0.00 -0.85 0.24 115.31 115.15 2klx h LEU 80 Ca -0.00 0.09 -0.03 0.00 -0.00 0.00 0.00 57.88 57.93 2klx h LEU 80 Cb 0.35 0.24 -0.04 0.00 -0.00 0.00 0.00 40.66 41.21 2klx h LEU 80 CO 0.00 -0.22 0.38 -0.07 -0.00 0.00 0.00 178.44 178.54 2klx h LEU 81 N -0.23 1.07 -1.49 1.67 4.07 -0.55 0.16 115.31 120.00 2klx h LEU 81 Ca 0.08 -0.13 -0.04 0.00 0.08 0.00 0.00 57.88 57.87 2klx h LEU 81 Cb 0.35 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.81 2klx h LEU 81 CO -0.23 0.91 -0.21 1.56 -1.08 0.00 0.00 178.44 179.39 2klx h GLN 82 N 1.17 0.00 0.02 1.13 4.20 -0.32 0.12 115.11 121.42 2klx h GLN 82 Ca 0.28 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.85 2klx h GLN 82 Cb 0.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 2klx h GLN 82 CO -0.03 0.21 -0.74 -0.44 -0.67 0.00 0.00 178.83 177.16 2klx h ASP 83 N 0.00 0.05 0.58 1.46 3.32 0.30 -3.36 116.42 118.77 2klx h ASP 83 Ca -0.00 -0.76 -0.06 0.00 0.02 0.00 0.00 57.03 56.23 2klx h ASP 83 Cb 0.56 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2klx h ASP 83 CO 0.03 1.30 -0.28 -0.37 -1.72 0.00 0.00 179.24 178.19 2klx h VAL 84 N -0.91 0.86 0.00 -1.35 -1.51 -0.69 -1.90 116.25 110.75 2klx h VAL 84 Ca -0.19 -1.11 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 2klx h VAL 84 Cb 1.24 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 2klx h VAL 84 CO -0.09 0.28 0.00 1.57 -1.23 0.00 0.00 177.57 178.10