#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 -1.22 0.32 1.61 0.04 -1.26 -5.09 135.00 129.41 2klx s PRO -2 Ca 0.00 -0.06 -0.18 0.00 0.04 0.00 0.00 61.00 60.80 2klx s PRO -2 Cb 0.00 -1.60 0.06 0.00 0.04 0.00 0.00 34.50 33.00 2klx s PRO -2 CO 0.00 -3.71 0.85 0.20 0.04 0.00 0.00 177.00 174.38 2klx s GLY -1 N -3.89 0.26 0.08 0.56 0.00 -1.26 -5.17 107.32 97.90 2klx s GLY -1 Ca 0.71 -0.59 0.09 0.00 0.00 0.00 0.00 44.72 44.92 2klx s GLY -1 CO 0.56 0.37 -0.22 -0.56 0.00 0.00 0.00 173.10 173.25 2klx s SER 0 N -3.14 3.56 -0.17 1.64 0.01 -1.26 -5.03 113.70 109.31 2klx s SER 0 Ca 0.17 -0.57 0.14 0.00 1.31 0.00 0.00 55.95 56.99 2klx s SER 0 Cb -0.04 -0.43 0.36 0.00 0.21 0.00 0.00 66.02 66.12 2klx s SER 0 CO 0.09 0.22 1.19 1.15 0.41 0.00 0.00 173.24 176.30 2klx n MET 1 N 1.27 1.43 -4.27 12.44 0.00 -1.26 -4.99 117.12 121.74 2klx n MET 1 Ca -0.17 -2.98 -0.33 0.00 0.00 0.00 0.00 57.70 54.22 2klx n MET 1 Cb 0.52 -1.54 -0.16 0.00 0.00 0.00 0.00 33.22 32.05 2klx n MET 1 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 2klx s LYS 2 N -3.02 3.04 -0.00 3.17 0.00 -1.26 -4.99 119.74 116.68 2klx s LYS 2 Ca 0.35 -0.82 -0.04 0.00 0.00 0.00 0.00 55.97 55.46 2klx s LYS 2 Cb 0.33 -2.57 -0.00 0.00 0.00 0.00 0.00 37.83 35.59 2klx s LYS 2 CO -0.03 -0.15 0.08 -1.83 0.00 0.00 0.00 175.35 173.42 2klx s GLU 3 N 1.15 0.34 -0.10 1.78 -1.05 0.18 -4.41 118.70 116.60 2klx s GLU 3 Ca 0.01 -0.32 -0.02 0.00 -0.15 0.00 0.00 54.97 54.50 2klx s GLU 3 Cb -0.14 0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.66 2klx s GLU 3 CO -0.09 -0.07 -0.02 -1.50 0.95 0.00 0.00 175.26 174.54 2klx s ILE 4 N -1.03 4.15 0.02 1.83 -1.16 -1.24 -1.29 121.20 122.48 2klx s ILE 4 Ca -0.11 -0.30 0.03 0.00 -0.51 0.00 0.00 60.65 59.76 2klx s ILE 4 Cb -0.06 -2.75 -0.01 0.00 0.61 0.00 0.00 42.46 40.24 2klx s ILE 4 CO 0.00 0.58 -0.10 -0.63 -2.81 0.00 0.00 174.94 171.99 2klx s ILE 5 N -0.60 0.74 -0.23 2.00 1.01 0.05 -1.31 121.20 122.86 2klx s ILE 5 Ca 0.10 -0.71 0.01 0.00 0.00 0.00 0.00 60.65 60.05 2klx s ILE 5 Cb -0.12 -0.68 0.04 0.00 0.01 0.00 0.00 42.46 41.71 2klx s ILE 5 CO 0.02 -0.01 -0.12 -1.48 0.00 0.00 0.00 174.94 173.35 2klx s LEU 6 N -0.80 2.98 -0.43 2.97 2.34 -0.19 0.33 118.68 125.89 2klx s LEU 6 Ca -0.01 -1.03 -0.14 0.00 0.06 0.00 0.00 54.13 53.02 2klx s LEU 6 Cb -0.06 -1.56 0.05 0.00 -0.56 0.00 0.00 46.19 44.06 2klx s LEU 6 CO 0.00 -0.12 0.31 -0.31 -1.06 0.00 0.00 176.35 175.18 2klx s TYR 7 N 1.22 3.26 -0.03 3.48 1.51 0.04 -0.15 117.35 126.68 2klx s TYR 7 Ca -0.02 -0.93 -0.25 0.00 -1.01 0.00 0.00 57.07 54.86 2klx s TYR 7 Cb -0.17 -2.83 0.08 0.00 -0.11 0.00 0.00 41.96 38.93 2klx s TYR 7 CO -0.07 -0.72 1.13 0.25 -1.11 0.00 0.00 175.55 175.03 2klx n THR 8 N 5.11 0.00 -2.76 -0.71 -2.24 -0.70 -0.12 114.28 112.86 2klx n THR 8 Ca -0.12 -0.12 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 2klx n THR 8 Cb 0.45 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.15 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 -2.01 3.68 0.00 -0.78 1.70 -1.26 -0.12 118.95 120.16 2klx s ARG 9 Ca 0.27 0.37 0.15 0.00 -0.47 0.00 0.00 55.73 56.04 2klx s ARG 9 Cb -0.01 -2.38 0.71 0.00 -0.57 0.00 0.00 34.95 32.70 2klx s ARG 9 CO -0.01 -0.10 1.42 -0.35 -1.08 0.00 0.00 175.30 175.18 2klx n PRO 10 N -1.67 0.16 -1.71 3.89 -0.04 -1.26 -3.43 135.00 130.94 2klx n PRO 10 Ca 0.02 0.17 -0.35 0.00 -0.04 0.00 0.00 63.50 63.30 2klx n PRO 10 Cb 0.54 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 2klx n PRO 10 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2klx n ASN 11 N -1.34 7.21 -4.05 3.54 2.85 -1.26 -4.86 115.26 117.36 2klx n ASN 11 Ca 0.06 -3.63 -0.33 0.00 -0.11 0.00 0.00 54.58 50.58 2klx n ASN 11 Cb 0.13 -1.11 -0.13 0.00 1.24 0.00 0.00 39.78 39.91 2klx n ASN 11 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2klx n PRO 13 N 4.12 0.13 0.03 0.00 -0.04 -1.26 -2.13 135.00 135.85 2klx n PRO 13 Ca 0.03 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.77 2klx n PRO 13 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 2klx n PRO 13 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2klx n TYR 14 N -1.36 0.46 0.12 0.54 4.01 -1.26 -4.15 117.16 115.51 2klx n TYR 14 Ca 0.06 0.14 0.20 0.00 -0.16 0.00 0.00 57.90 58.13 2klx n TYR 14 Cb 0.14 -0.75 0.76 0.00 -0.31 0.00 0.00 39.34 39.18 2klx n TYR 14 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2klx h LYS 16 N 0.00 0.20 -0.02 0.00 2.10 -1.76 0.11 116.57 117.21 2klx h LYS 16 Ca 0.17 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.80 2klx h LYS 16 Cb 0.94 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.22 2klx h LYS 16 CO -0.00 0.14 -0.01 0.00 -2.00 0.00 0.00 179.45 177.57 2klx h ARG 17 N 0.21 0.05 0.47 0.07 -0.00 -1.41 -0.28 114.38 113.48 2klx h ARG 17 Ca 0.51 -0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.94 2klx h ARG 17 Cb 1.61 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.59 2klx h ARG 17 CO -0.13 0.44 -0.23 0.00 0.00 0.00 0.00 179.97 180.05 2klx h ALA 18 N 0.61 -0.63 -0.68 0.04 0.00 -1.19 -1.21 119.26 116.19 2klx h ALA 18 Ca 0.01 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2klx h ALA 18 Cb 0.42 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2klx h ALA 18 CO 0.00 -0.83 0.45 0.07 0.00 0.00 0.00 179.25 178.94 2klx h ARG 19 N -0.69 0.81 -0.09 0.00 -0.00 -1.22 -1.72 114.38 111.47 2klx h ARG 19 Ca -0.06 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.98 59.86 2klx h ARG 19 Cb 0.52 -0.18 -0.00 0.00 -0.00 0.00 0.00 29.97 30.30 2klx h ARG 19 CO 0.11 0.54 0.04 0.22 -0.00 0.00 0.00 179.97 180.87 2klx h ASP 20 N 0.84 0.12 0.32 0.08 3.58 -0.79 -1.09 116.42 119.47 2klx h ASP 20 Ca 0.27 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2klx h ASP 20 Cb 0.03 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2klx h ASP 20 CO -0.07 0.23 -0.16 0.25 -2.88 0.00 0.00 179.24 176.61 2klx h LEU 21 N -0.00 -0.38 0.19 2.28 6.46 -0.77 0.31 115.31 123.40 2klx h LEU 21 Ca 0.03 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 2klx h LEU 21 Cb 0.15 0.10 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 2klx h LEU 21 CO -0.00 -0.27 -0.43 -0.07 -0.62 0.00 0.00 178.44 177.06 2klx h LEU 22 N -0.44 -1.23 -1.30 2.25 4.07 -1.31 -0.93 115.31 116.42 2klx h LEU 22 Ca -0.04 0.13 0.03 0.00 0.08 0.00 0.00 57.88 58.08 2klx h LEU 22 Cb 0.34 0.45 -0.04 0.00 1.08 0.00 0.00 40.66 42.49 2klx h LEU 22 CO 0.07 -0.51 0.49 -0.78 -1.08 0.00 0.00 178.44 176.63 2klx h ASP 23 N -0.70 0.78 -0.86 -0.43 3.58 -1.16 -0.58 116.42 117.06 2klx h ASP 23 Ca 0.01 -0.01 0.04 0.00 0.42 0.00 0.00 57.03 57.48 2klx h ASP 23 Cb 0.70 -0.18 -0.05 0.00 1.72 0.00 0.00 39.33 41.52 2klx h ASP 23 CO -0.21 0.54 0.55 0.50 -2.88 0.00 0.00 179.24 177.75 2klx h LYS 24 N 0.91 1.03 0.01 0.28 3.11 0.48 -2.19 116.57 120.20 2klx h LYS 24 Ca 0.29 -0.06 -0.20 0.00 -2.81 0.00 0.00 60.65 57.87 2klx h LYS 24 Cb 0.05 -0.23 -0.01 0.00 -1.00 0.00 0.00 32.23 31.03 2klx h LYS 24 CO -0.08 0.68 -0.90 0.87 -2.81 0.00 0.00 179.45 177.22 2klx h LYS 25 N 1.07 0.15 -0.12 1.90 1.79 -0.41 -3.48 116.57 117.47 2klx h LYS 25 Ca 0.35 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.64 2klx h LYS 25 Cb 0.02 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.73 2klx h LYS 25 CO -0.12 0.95 0.00 0.41 -1.08 0.00 0.00 179.45 179.60 2klx n GLY 26 N 0.93 0.65 3.62 3.86 0.00 -0.30 -5.12 105.19 108.83 2klx n GLY 26 Ca -0.03 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.44 0.87 -0.28 1.61 -7.23 -1.09 -5.04 120.40 107.80 2klx s VAL 27 Ca 0.00 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.13 2klx s VAL 27 Cb 0.00 -2.29 0.02 0.00 0.56 0.00 0.00 36.38 34.67 2klx s VAL 27 CO 0.00 0.00 0.02 -0.54 -0.31 0.00 0.00 175.10 174.27 2klx s LYS 28 N -3.78 2.90 -0.01 4.82 3.01 -1.26 -4.63 119.74 120.78 2klx s LYS 28 Ca 0.16 -0.96 -0.01 0.00 -1.01 0.00 0.00 55.97 54.15 2klx s LYS 28 Cb 0.02 -3.21 -0.04 0.00 -1.01 0.00 0.00 37.83 33.60 2klx s LYS 28 CO 0.10 -0.46 0.07 1.52 0.51 0.00 0.00 175.35 177.09 2klx s TYR 29 N 1.40 3.28 -0.24 3.18 -0.85 -1.26 -4.18 117.35 118.67 2klx s TYR 29 Ca 0.01 0.21 -0.05 0.00 -0.52 0.00 0.00 57.07 56.71 2klx s TYR 29 Cb -0.17 -1.74 -0.01 0.00 0.38 0.00 0.00 41.96 40.41 2klx s TYR 29 CO -0.01 0.55 0.01 0.99 -1.52 0.00 0.00 175.55 175.57 2klx s THR 30 N -1.17 3.78 0.05 -3.49 2.01 -0.43 -5.01 115.64 111.37 2klx s THR 30 Ca 0.22 -0.40 -0.25 0.00 0.31 0.00 0.00 61.69 61.57 2klx s THR 30 Cb -0.12 -2.77 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 2klx s THR 30 CO 0.13 0.35 0.76 -0.62 -0.69 0.00 0.00 174.62 174.55 2klx s ASP 31 N 1.53 7.21 -0.15 3.53 2.15 -1.26 -1.02 116.67 128.66 2klx s ASP 31 Ca 0.06 1.44 0.01 0.00 0.43 0.00 0.00 52.55 54.49 2klx s ASP 31 Cb -0.15 -2.46 0.02 0.00 -0.30 0.00 0.00 42.92 40.03 2klx s ASP 31 CO -0.00 0.03 -0.15 -0.63 -0.17 0.00 0.00 175.17 174.25 2klx s ILE 32 N -0.14 1.61 0.43 4.11 -1.09 0.78 -4.92 121.20 121.99 2klx s ILE 32 Ca 0.38 -0.66 -0.25 0.00 -2.23 0.00 0.00 60.65 57.89 2klx s ILE 32 Cb -0.21 -1.50 -0.09 0.00 -1.58 0.00 0.00 42.46 39.09 2klx s ILE 32 CO 0.23 0.46 1.25 0.47 -1.23 0.00 0.00 174.94 176.12 2klx n ASP 33 N 4.68 2.42 0.20 3.58 8.00 -1.26 -1.72 116.55 132.44 2klx n ASP 33 Ca -0.18 1.09 0.14 0.00 0.71 0.00 0.00 54.79 56.55 2klx n ASP 33 Cb 0.50 -1.49 0.69 0.00 -0.02 0.00 0.00 41.12 40.80 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 1.97 1.00 -0.91 2.24 0.00 -0.87 -3.39 119.26 119.30 2klx h ALA 34 Ca -0.48 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.81 2klx h ALA 34 Cb 1.30 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2klx h ALA 34 CO 0.59 0.00 1.50 0.45 0.00 0.00 0.00 179.25 181.79 2klx n SER 35 N -2.47 1.76 0.21 0.00 2.88 -1.26 -4.76 113.62 109.98 2klx n SER 35 Ca -0.01 0.25 0.18 0.00 -1.33 0.00 0.00 58.87 57.96 2klx n SER 35 Cb 0.10 -1.23 0.84 0.00 -0.75 0.00 0.00 64.21 63.17 2klx n SER 35 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2klx h THR 36 N 7.33 0.40 -1.01 2.46 1.35 -1.94 0.26 112.91 121.76 2klx h THR 36 Ca -0.22 0.00 0.28 0.00 -0.55 0.00 0.00 66.41 65.93 2klx h THR 36 Cb 1.32 0.81 -0.05 0.00 -1.73 0.00 0.00 68.15 68.50 2klx h THR 36 CO 1.11 0.00 0.71 -1.28 -0.25 0.00 0.00 175.52 175.81 2klx h SER 37 N 0.00 0.11 0.00 5.36 0.87 -1.95 -0.80 113.55 117.14 2klx h SER 37 Ca 0.09 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2klx h SER 37 Cb 0.55 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2klx h SER 37 CO -0.00 0.03 -0.78 0.18 -0.53 0.00 0.00 176.83 175.73 2klx n LEU 38 N -4.32 1.07 -0.11 2.23 7.99 -0.54 -4.65 117.00 118.67 2klx n LEU 38 Ca 0.22 0.00 -0.00 0.00 -0.01 0.00 0.00 56.01 56.21 2klx n LEU 38 Cb 1.02 0.00 0.26 0.00 -0.11 0.00 0.00 43.42 44.58 2klx n LEU 38 CO 0.36 0.18 1.07 -0.09 -1.51 0.00 0.00 177.39 177.40 2klx h ARG 39 N 0.00 0.78 -0.45 3.23 2.43 -0.49 -1.30 114.38 118.58 2klx h ARG 39 Ca 0.00 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 58.97 2klx h ARG 39 Cb 0.78 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.17 2klx h ARG 39 CO 0.00 0.63 -0.11 0.37 -1.51 0.00 0.00 179.97 179.35 2klx h GLN 40 N 0.77 0.80 -0.05 0.20 5.75 -1.33 -0.96 115.11 120.30 2klx h GLN 40 Ca 0.19 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.39 2klx h GLN 40 Cb 0.13 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 2klx h GLN 40 CO -0.02 0.88 -0.06 0.93 -2.65 0.00 0.00 178.83 177.91 2klx h GLU 41 N 0.73 0.12 0.15 1.69 4.39 -1.59 -0.62 114.58 119.45 2klx h GLU 41 Ca 0.12 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 2klx h GLU 41 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2klx h GLU 41 CO 0.04 0.61 -0.07 0.52 -1.16 0.00 0.00 179.01 178.94 2klx h MET 42 N -0.36 -0.19 -0.53 2.33 2.86 -1.22 -1.47 114.93 116.35 2klx h MET 42 Ca 0.01 0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2klx h MET 42 Cb 0.59 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 2klx h MET 42 CO 0.01 -0.13 0.18 -0.24 1.06 0.00 0.00 176.91 177.79 2klx h VAL 43 N -0.20 1.20 0.13 -2.22 3.04 -1.25 0.26 116.25 117.21 2klx h VAL 43 Ca -0.02 -0.68 -0.01 0.00 -1.01 0.00 0.00 66.70 64.99 2klx h VAL 43 Cb 0.16 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.05 2klx h VAL 43 CO 0.03 0.26 -0.06 1.56 -1.01 0.00 0.00 177.57 178.35 2klx h GLN 44 N 0.76 -0.16 0.00 4.17 4.20 -0.76 -1.37 115.11 121.94 2klx h GLN 44 Ca 0.18 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.90 2klx h GLN 44 Cb 0.20 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2klx h GLN 44 CO -0.01 -0.06 0.00 0.54 -0.67 0.00 0.00 178.83 178.62 2klx n ARG 45 N -5.14 0.17 0.06 1.46 1.74 -0.58 0.66 116.66 115.03 2klx n ARG 45 Ca -0.08 0.16 -0.21 0.00 -0.77 0.00 0.00 57.85 56.95 2klx n ARG 45 Cb 0.11 -1.70 -0.12 0.00 -1.02 0.00 0.00 32.46 29.73 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2klx h ALA 46 N 2.66 0.03 0.00 7.54 0.00 -0.00 -3.42 119.26 126.07 2klx h ALA 46 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2klx h ALA 46 Cb 0.62 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.50 2klx h ALA 46 CO 0.00 0.60 -0.89 0.27 0.00 0.00 0.00 179.25 179.24 2klx n ASN 47 N -3.91 1.43 0.00 0.00 6.94 -0.56 -4.90 115.26 114.25 2klx n ASN 47 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.44 2klx n ASN 47 Cb 0.89 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.31 2klx n ASN 47 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2klx n GLY 48 N 3.01 1.11 3.17 4.83 0.00 0.21 -5.06 105.19 112.45 2klx n GLY 48 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 0.35 0.13 1.61 6.06 -1.25 -4.58 118.95 121.28 2klx s ARG 49 Ca 0.00 0.90 -0.16 0.00 -2.50 0.00 0.00 55.73 53.97 2klx s ARG 49 Cb 0.00 0.12 0.03 0.00 0.06 0.00 0.00 34.95 35.16 2klx s ARG 49 CO 0.00 -0.39 0.40 -0.80 -2.50 0.00 0.00 175.30 172.01 2klx s ASN 50 N 2.62 -0.22 -0.19 -2.12 0.02 -1.26 -4.98 114.94 108.81 2klx s ASN 50 Ca 0.04 -0.36 0.12 0.00 -1.02 0.00 0.00 52.86 51.64 2klx s ASN 50 Cb -0.13 0.48 0.31 0.00 0.02 0.00 0.00 41.25 41.93 2klx s ASN 50 CO -0.14 -0.87 1.28 0.41 0.02 0.00 0.00 177.10 177.79 2klx n THR 51 N -0.23 0.22 -3.80 1.60 -1.04 -1.26 -4.72 114.28 105.04 2klx n THR 51 Ca -0.15 -1.04 -0.12 0.00 -2.04 0.00 0.00 64.05 60.69 2klx n THR 51 Cb 0.64 0.91 -0.11 0.00 -1.82 0.00 0.00 70.33 69.95 2klx n THR 51 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2klx s PHE 52 N -0.59 -0.19 0.42 -1.42 0.40 -1.26 -5.12 117.98 110.22 2klx s PHE 52 Ca 0.12 0.42 -0.25 0.00 -0.60 0.00 0.00 56.93 56.63 2klx s PHE 52 Cb 0.29 0.06 -0.08 0.00 0.51 0.00 0.00 43.02 43.81 2klx s PHE 52 CO -0.08 -0.22 1.18 -1.25 0.70 0.00 0.00 175.22 175.55 2klx s PRO 53 N -0.50 3.96 -0.02 0.24 0.04 -1.26 -5.02 135.00 132.44 2klx s PRO 53 Ca -0.06 1.86 -0.29 0.00 0.04 0.00 0.00 61.00 62.55 2klx s PRO 53 Cb -0.04 -2.61 0.10 0.00 0.04 0.00 0.00 34.50 31.98 2klx s PRO 53 CO 0.01 -0.40 1.29 1.14 0.04 0.00 0.00 177.00 179.08 2klx s GLN 54 N -2.40 0.37 -0.00 4.56 0.00 0.83 -4.96 119.66 118.06 2klx s GLN 54 Ca 0.59 -0.24 -0.09 0.00 -0.00 0.00 0.00 55.36 55.62 2klx s GLN 54 Cb -0.31 0.10 -0.05 0.00 0.00 0.00 0.00 33.01 32.75 2klx s GLN 54 CO 0.39 -0.17 0.31 0.42 0.00 0.00 0.00 175.29 176.23 2klx s ILE 55 N -2.03 5.23 -0.02 3.63 1.01 -1.08 -0.78 121.20 127.17 2klx s ILE 55 Ca 0.29 0.39 0.07 0.00 0.00 0.00 0.00 60.65 61.40 2klx s ILE 55 Cb -0.00 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 2klx s ILE 55 CO -0.01 0.44 -0.22 0.12 0.00 0.00 0.00 174.94 175.27 2klx s PHE 56 N -1.22 1.99 -0.07 3.97 2.19 0.15 -0.02 117.98 124.97 2klx s PHE 56 Ca 0.26 -0.39 -0.03 0.00 0.33 0.00 0.00 56.93 57.10 2klx s PHE 56 Cb -0.14 -1.28 0.04 0.00 -1.31 0.00 0.00 43.02 40.33 2klx s PHE 56 CO 0.14 -0.04 0.13 0.96 1.83 0.00 0.00 175.22 178.23 2klx s ILE 57 N -0.49 -0.18 -1.57 3.12 -4.36 -0.18 -0.77 121.20 116.77 2klx s ILE 57 Ca 0.08 0.32 -0.10 0.00 -0.26 0.00 0.00 60.65 60.69 2klx s ILE 57 Cb -0.09 -0.24 0.08 0.00 1.25 0.00 0.00 42.46 43.46 2klx s ILE 57 CO -0.01 0.14 0.59 0.61 0.24 0.00 0.00 174.94 176.51 2klx n GLY 58 N 5.01 -0.33 2.50 6.27 0.00 -0.41 0.19 105.19 118.43 2klx n GLY 58 Ca -0.10 0.14 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.81 -4.57 -3.49 1.61 8.00 -1.26 -4.97 116.55 109.06 2klx n ASP 59 Ca -0.11 -0.14 -0.21 0.00 0.71 0.00 0.00 54.79 55.04 2klx n ASP 59 Cb 0.59 -3.52 -0.13 0.00 -0.02 0.00 0.00 41.12 38.04 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 -2.89 -0.16 0.41 1.24 5.04 0.13 -4.93 117.35 116.18 2klx s TYR 60 Ca 0.15 -0.12 -0.26 0.00 -2.44 0.00 0.00 57.07 54.40 2klx s TYR 60 Cb -0.06 -0.51 -0.09 0.00 0.35 0.00 0.00 41.96 41.65 2klx s TYR 60 CO 0.18 -0.70 1.30 -3.38 -1.34 0.00 0.00 175.55 171.61 2klx s HIS 61 N 2.27 2.81 -0.15 4.97 -3.43 -1.26 -1.02 115.29 119.48 2klx s HIS 61 Ca 0.07 1.41 -0.13 0.00 -0.80 0.00 0.00 55.06 55.61 2klx s HIS 61 Cb -0.15 -3.67 -0.06 0.00 -1.43 0.00 0.00 32.58 27.26 2klx s HIS 61 CO -0.20 -2.11 -0.28 0.28 -2.00 0.00 0.00 174.74 170.43 2klx n VAL 62 N 0.11 1.36 0.00 -5.38 0.31 0.97 -4.91 118.33 110.80 2klx n VAL 62 Ca 0.04 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 2klx n VAL 62 Cb 0.44 -2.06 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 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 1.81 0.80 2.99 2.92 0.00 -1.25 -4.95 105.19 107.52 2klx n GLY 63 Ca -0.21 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 2klx n GLY 63 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2klx n GLY 64 N 0.00 -0.62 0.17 -0.02 0.00 -1.26 -2.62 105.19 100.84 2klx n GLY 64 Ca 0.00 -1.82 -0.06 0.00 0.00 0.00 0.00 46.02 44.14 2klx n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2klx h ASP 66 N -0.93 0.00 -0.00 0.00 3.04 -1.96 -2.11 116.42 114.46 2klx h ASP 66 Ca -0.04 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.78 2klx h ASP 66 Cb 0.29 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.53 2klx h ASP 66 CO 0.06 0.00 -0.32 -0.78 -2.04 0.00 0.00 179.24 176.17 2klx h ASP 67 N 0.00 -0.95 -0.74 4.15 3.58 -1.95 0.23 116.42 120.75 2klx h ASP 67 Ca 0.17 0.12 0.08 0.00 0.42 0.00 0.00 57.03 57.83 2klx h ASP 67 Cb 0.90 0.38 -0.05 0.00 1.72 0.00 0.00 39.33 42.29 2klx h ASP 67 CO -0.00 -0.38 0.48 0.17 -2.88 0.00 0.00 179.24 176.63 2klx h LEU 68 N -0.47 0.62 0.18 2.28 8.10 -1.47 -1.23 115.31 123.32 2klx h LEU 68 Ca 0.06 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 58.05 2klx h LEU 68 Cb 0.56 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 2klx h LEU 68 CO -0.27 0.38 -0.09 1.88 -4.11 0.00 0.00 178.44 176.24 2klx h TYR 69 N 0.69 -0.23 -0.11 0.17 -1.99 -1.26 -1.01 116.97 113.24 2klx h TYR 69 Ca 0.33 -0.01 0.04 0.00 2.00 0.00 0.00 58.73 61.10 2klx h TYR 69 Cb 0.38 0.08 -0.05 0.00 2.00 0.00 0.00 36.73 39.14 2klx h TYR 69 CO -0.00 0.14 -0.20 0.00 -0.00 0.00 0.00 178.16 178.10 2klx h ALA 70 N 0.05 -0.16 -0.29 3.88 0.00 -0.17 -0.28 119.26 122.28 2klx h ALA 70 Ca -0.03 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2klx h ALA 70 Cb 0.47 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2klx h ALA 70 CO 0.04 -0.66 0.16 -0.07 0.00 0.00 0.00 179.25 178.72 2klx h LEU 71 N -0.26 0.26 -1.62 0.00 3.38 -1.30 0.33 115.31 116.10 2klx h LEU 71 Ca 0.09 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.16 2klx h LEU 71 Cb 0.40 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 2klx h LEU 71 CO -0.27 0.19 0.40 -0.08 0.09 0.00 0.00 178.44 178.77 2klx h GLU 72 N 0.34 0.42 0.00 1.13 4.57 -0.71 0.36 114.58 120.70 2klx h GLU 72 Ca 0.12 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 2klx h GLU 72 Cb 0.01 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2klx h GLU 72 CO -0.06 0.28 -0.68 -0.97 -1.18 0.00 0.00 179.01 176.40 2klx h ASN 73 N 0.43 0.00 1.75 1.04 -0.73 -0.25 -3.15 115.58 114.67 2klx h ASN 73 Ca 0.27 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.40 2klx h ASN 73 Cb 0.49 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.08 2klx h ASN 73 CO -0.08 0.03 -0.25 0.11 -0.37 0.00 0.00 177.43 176.87 2klx h LYS 74 N 0.00 0.00 0.00 6.67 1.79 0.17 -3.47 116.57 121.74 2klx h LYS 74 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2klx h LYS 74 Cb 1.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 2klx h LYS 74 CO 0.00 0.21 0.00 0.41 -1.08 0.00 0.00 179.45 178.99 2klx n GLY 75 N 1.16 -0.17 0.05 3.86 0.00 -0.30 -4.99 105.19 104.80 2klx n GLY 75 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 2klx n GLY 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2klx n LYS 76 N 0.00 1.07 -0.27 1.61 3.00 0.11 -3.98 118.16 119.70 2klx n LYS 76 Ca 0.00 -0.10 0.07 0.00 -0.00 0.00 0.00 58.31 58.28 2klx n LYS 76 Cb 0.00 -1.41 0.21 0.00 0.00 0.00 0.00 35.03 33.84 2klx n LYS 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2klx h LEU 77 N 0.22 0.22 -0.76 3.14 6.46 -1.66 0.68 115.31 123.60 2klx h LEU 77 Ca 0.00 0.13 0.12 0.00 -0.12 0.00 0.00 57.88 58.01 2klx h LEU 77 Cb 0.05 0.13 -0.09 0.00 -0.73 0.00 0.00 40.66 40.02 2klx h LEU 77 CO 0.00 0.05 0.36 -0.78 -0.62 0.00 0.00 178.44 177.45 2klx h ASP 78 N 0.39 0.42 0.13 1.25 3.58 -1.90 0.25 116.42 120.55 2klx h ASP 78 Ca 0.45 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.98 2klx h ASP 78 Cb 0.74 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.82 2klx h ASP 78 CO -0.46 0.20 -0.06 -1.28 -2.88 0.00 0.00 179.24 174.76 2klx h SER 79 N 0.56 -0.15 -0.16 2.28 0.87 -1.21 -0.01 113.55 115.73 2klx h SER 79 Ca 0.40 -0.33 0.04 0.00 -1.23 0.00 0.00 61.79 60.68 2klx h SER 79 Cb 0.53 0.04 -0.05 0.00 -0.44 0.00 0.00 62.40 62.48 2klx h SER 79 CO -0.34 0.27 -0.13 -0.07 -0.53 0.00 0.00 176.83 176.03 2klx h LEU 80 N -0.60 -0.42 -0.71 2.23 -0.00 -0.76 0.28 115.31 115.32 2klx h LEU 80 Ca -0.02 0.09 -0.04 0.00 -0.00 0.00 0.00 57.88 57.91 2klx h LEU 80 Cb 0.47 0.21 -0.03 0.00 -0.00 0.00 0.00 40.66 41.31 2klx h LEU 80 CO 0.03 -0.17 0.29 -0.07 -0.00 0.00 0.00 178.44 178.52 2klx h LEU 81 N -0.14 0.98 -1.66 1.67 4.07 -0.57 0.25 115.31 119.90 2klx h LEU 81 Ca 0.10 -0.17 -0.03 0.00 0.08 0.00 0.00 57.88 57.87 2klx h LEU 81 Cb 0.30 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.78 2klx h LEU 81 CO -0.25 0.88 -0.13 -0.61 -1.08 0.00 0.00 178.44 177.25 2klx h GLN 82 N 1.02 0.00 0.09 1.13 4.15 -0.35 0.26 115.11 121.41 2klx h GLN 82 Ca 0.24 0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.38 2klx h GLN 82 Cb 0.20 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2klx h GLN 82 CO -0.02 0.13 -1.48 -0.44 -1.93 0.00 0.00 178.83 175.09 2klx h ASP 83 N 0.00 0.29 1.18 -0.69 3.32 0.29 -3.36 116.42 117.46 2klx h ASP 83 Ca -0.00 -0.80 -0.06 0.00 0.02 0.00 0.00 57.03 56.19 2klx h ASP 83 Cb 0.48 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.92 2klx h ASP 83 CO 0.02 1.63 -0.26 -0.37 -1.72 0.00 0.00 179.24 178.54 2klx h VAL 84 N -0.39 0.55 0.00 -1.35 -1.51 -0.45 0.55 116.25 113.65 2klx h VAL 84 Ca -0.33 -1.36 0.00 0.00 -1.23 0.00 0.00 66.70 63.77 2klx h VAL 84 Cb 1.70 1.95 0.00 0.00 -2.13 0.00 0.00 31.29 32.81 2klx h VAL 84 CO 0.00 0.26 0.00 1.57 -1.23 0.00 0.00 177.57 178.17