#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 4.41 -0.22 1.61 0.04 -1.26 -5.03 135.00 134.55 2klx s PRO -2 Ca 0.00 2.05 -0.08 0.00 0.04 0.00 0.00 61.00 63.02 2klx s PRO -2 Cb 0.00 -3.17 0.10 0.00 0.04 0.00 0.00 34.50 31.47 2klx s PRO -2 CO 0.00 -0.18 0.47 0.20 0.04 0.00 0.00 177.00 177.53 2klx s GLY -1 N 0.02 -0.45 0.67 0.56 0.00 -1.26 -5.16 107.32 101.71 2klx s GLY -1 Ca 0.53 1.70 -0.12 0.00 0.00 0.00 0.00 44.72 46.83 2klx s GLY -1 CO 0.42 2.55 1.06 -0.56 0.00 0.00 0.00 173.10 176.57 2klx s SER 0 N 2.66 5.44 0.00 1.64 0.01 -1.26 -5.00 113.70 117.19 2klx s SER 0 Ca -0.03 1.70 0.00 0.00 1.31 0.00 0.00 55.95 58.94 2klx s SER 0 Cb -0.12 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2klx s SER 0 CO -0.14 -1.40 0.00 0.80 0.41 0.00 0.00 173.24 172.90 2klx n MET 1 N -2.79 0.00 -3.82 12.44 1.56 -1.26 -5.07 117.12 118.17 2klx n MET 1 Ca 0.08 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.20 2klx n MET 1 Cb 0.53 -0.71 -0.04 0.00 2.15 0.00 0.00 33.22 35.15 2klx n MET 1 CO 0.00 0.00 0.00 0.15 -0.73 0.00 0.00 175.97 175.39 2klx s LYS 2 N -1.83 3.51 0.02 2.12 -0.14 -1.24 -5.11 119.74 117.07 2klx s LYS 2 Ca 0.00 -0.32 0.01 0.00 -1.36 0.00 0.00 55.97 54.30 2klx s LYS 2 Cb 0.00 -2.95 -0.01 0.00 -1.68 0.00 0.00 37.83 33.18 2klx s LYS 2 CO 0.00 0.54 -0.04 -1.83 -0.76 0.00 0.00 175.35 173.26 2klx s GLU 3 N -2.65 0.31 -0.08 1.68 1.03 -1.26 -4.68 118.70 113.05 2klx s GLU 3 Ca 0.37 -0.44 0.01 0.00 0.03 0.00 0.00 54.97 54.94 2klx s GLU 3 Cb -0.12 -0.09 -0.03 0.00 -0.80 0.00 0.00 34.13 33.09 2klx s GLU 3 CO 0.27 0.01 -0.08 -1.50 -1.33 0.00 0.00 175.26 172.63 2klx s ILE 4 N -0.91 3.56 0.03 1.83 -1.16 -1.25 -0.63 121.20 122.68 2klx s ILE 4 Ca -0.08 -0.52 0.04 0.00 -0.51 0.00 0.00 60.65 59.58 2klx s ILE 4 Cb -0.07 -2.46 -0.02 0.00 0.61 0.00 0.00 42.46 40.52 2klx s ILE 4 CO -0.00 0.58 -0.13 -0.63 -2.81 0.00 0.00 174.94 171.94 2klx s ILE 5 N -0.55 1.04 -0.22 2.00 1.01 -0.32 -1.11 121.20 123.05 2klx s ILE 5 Ca 0.08 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2klx s ILE 5 Cb -0.12 -0.94 0.04 0.00 0.01 0.00 0.00 42.46 41.46 2klx s ILE 5 CO 0.02 0.02 -0.14 -1.48 0.00 0.00 0.00 174.94 173.35 2klx s LEU 6 N -1.03 2.83 -0.37 2.97 2.34 -0.30 -0.08 118.68 125.05 2klx s LEU 6 Ca 0.01 -1.06 -0.18 0.00 0.06 0.00 0.00 54.13 52.96 2klx s LEU 6 Cb -0.07 -1.49 0.00 0.00 -0.56 0.00 0.00 46.19 44.07 2klx s LEU 6 CO 0.01 -0.11 0.49 -0.31 -1.06 0.00 0.00 176.35 175.37 2klx s TYR 7 N 1.20 3.17 -0.06 3.48 2.02 0.09 -0.67 117.35 126.58 2klx s TYR 7 Ca -0.03 0.02 -0.30 0.00 -0.37 0.00 0.00 57.07 56.39 2klx s TYR 7 Cb -0.17 -2.92 0.10 0.00 -0.40 0.00 0.00 41.96 38.57 2klx s TYR 7 CO -0.08 -0.59 1.34 0.95 -1.57 0.00 0.00 175.55 175.60 2klx s THR 8 N 2.33 0.00 0.40 -0.71 -4.23 -0.63 -1.46 115.64 111.35 2klx s THR 8 Ca 0.17 -0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.53 2klx s THR 8 Cb -0.16 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 2klx s THR 8 CO 0.14 0.00 0.73 0.00 -0.54 0.00 0.00 174.62 174.94 2klx s ARG 9 N -2.01 3.67 0.00 3.99 3.03 -1.26 -0.08 118.95 126.28 2klx s ARG 9 Ca 0.31 0.28 0.14 0.00 2.03 0.00 0.00 55.73 58.49 2klx s ARG 9 Cb 0.00 -2.44 0.66 0.00 -1.03 0.00 0.00 34.95 32.14 2klx s ARG 9 CO -0.02 -0.04 1.44 -0.35 -1.13 0.00 0.00 175.30 175.20 2klx n PRO 10 N -1.54 0.08 -1.98 3.89 -0.04 -1.26 -3.50 135.00 130.65 2klx n PRO 10 Ca 0.01 0.21 -0.38 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 0.09 -0.04 0.00 0.00 175.50 175.55 2klx n ASN 11 N -1.42 7.36 -4.05 3.54 3.02 -1.26 -4.87 115.26 117.58 2klx n ASN 11 Ca 0.05 -3.68 -0.34 0.00 -0.03 0.00 0.00 54.58 50.58 2klx n ASN 11 Cb 0.15 -1.13 -0.13 0.00 -0.61 0.00 0.00 39.78 38.06 2klx n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2klx n PRO 13 N 3.97 0.10 -0.00 0.00 -0.04 -1.26 -1.96 135.00 135.81 2klx n PRO 13 Ca 0.03 0.21 0.10 0.00 -0.04 0.00 0.00 63.50 63.80 2klx n PRO 13 Cb 0.39 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.40 0.02 0.19 0.54 4.01 -1.26 -4.27 117.16 114.98 2klx n TYR 14 Ca 0.05 0.01 0.18 0.00 -0.16 0.00 0.00 57.90 57.98 2klx n TYR 14 Cb 0.14 -0.13 0.80 0.00 -0.31 0.00 0.00 39.34 39.84 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 0.56 0.42 0.00 2.10 -1.78 0.36 116.57 118.23 2klx h LYS 16 Ca 0.12 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.71 2klx h LYS 16 Cb 0.79 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 32.00 2klx h LYS 16 CO -0.00 0.37 -0.20 0.00 -2.00 0.00 0.00 179.45 177.62 2klx h ARG 17 N 0.58 -0.55 0.67 0.07 3.08 -1.59 0.45 114.38 117.10 2klx h ARG 17 Ca 0.63 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.69 2klx h ARG 17 Cb 1.22 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.39 2klx h ARG 17 CO -0.45 -0.31 -0.41 0.00 -1.07 0.00 0.00 179.97 177.73 2klx h ALA 18 N -0.12 -1.05 -0.63 0.04 0.00 -1.36 -1.14 119.26 115.01 2klx h ALA 18 Ca -0.06 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 54.80 2klx h ALA 18 Cb 0.48 0.51 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2klx h ALA 18 CO 0.09 -1.11 0.44 0.07 0.00 0.00 0.00 179.25 178.75 2klx h ARG 19 N -1.02 0.15 -0.28 0.00 0.11 -1.03 -0.62 114.38 111.69 2klx h ARG 19 Ca -0.08 -0.01 -0.08 0.00 0.10 0.00 0.00 59.98 59.90 2klx h ARG 19 Cb 0.82 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.86 2klx h ARG 19 CO 0.08 0.10 -0.15 0.22 0.10 0.00 0.00 179.97 180.32 2klx h ASP 20 N 0.15 0.62 0.31 0.08 3.58 -0.32 0.00 116.42 120.85 2klx h ASP 20 Ca 0.30 -0.42 -0.02 0.00 0.42 0.00 0.00 57.03 57.32 2klx h ASP 20 Cb 0.98 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2klx h ASP 20 CO -0.04 0.90 -0.15 0.25 -2.88 0.00 0.00 179.24 177.32 2klx h LEU 21 N 0.35 -0.35 0.14 2.28 6.46 0.11 0.27 115.31 124.56 2klx h LEU 21 Ca 0.06 -0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 2klx h LEU 21 Cb 0.68 0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.70 2klx h LEU 21 CO 0.04 -0.19 -0.07 -0.07 -0.62 0.00 0.00 178.44 177.54 2klx h LEU 22 N -0.49 -0.15 -1.14 2.25 3.38 -1.44 -1.49 115.31 116.23 2klx h LEU 22 Ca -0.04 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2klx h LEU 22 Cb 0.37 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.10 2klx h LEU 22 CO 0.07 -0.02 0.59 -0.78 0.09 0.00 0.00 178.44 178.39 2klx h ASP 23 N -0.28 0.93 -0.64 -0.43 3.58 -0.97 -0.61 116.42 118.00 2klx h ASP 23 Ca -0.02 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.36 2klx h ASP 23 Cb 0.23 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2klx h ASP 23 CO 0.03 0.61 0.14 0.11 -2.88 0.00 0.00 179.24 177.26 2klx h LYS 24 N 1.06 1.05 -0.08 0.28 1.79 -0.20 -2.69 116.57 117.78 2klx h LYS 24 Ca 0.38 -0.25 -0.13 0.00 -2.18 0.00 0.00 60.65 58.46 2klx h LYS 24 Cb 0.13 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2klx h LYS 24 CO -0.13 0.94 -0.55 0.87 -1.08 0.00 0.00 179.45 179.50 2klx h LYS 25 N 1.00 0.23 -0.44 3.15 6.56 -0.34 -3.48 116.57 123.25 2klx h LYS 25 Ca 0.21 -0.14 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 2klx h LYS 25 Cb 0.37 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 2klx h LYS 25 CO 0.00 0.72 0.00 0.41 -2.06 0.00 0.00 179.45 178.53 2klx n GLY 26 N 0.14 0.70 3.72 3.86 0.00 -0.32 -5.11 105.19 108.18 2klx n GLY 26 Ca -0.02 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.87 1.37 -0.31 1.61 -7.23 -1.13 -5.06 120.40 107.78 2klx s VAL 27 Ca 0.00 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.09 2klx s VAL 27 Cb 0.00 -2.38 0.01 0.00 0.56 0.00 0.00 36.38 34.56 2klx s VAL 27 CO 0.00 0.00 0.12 -0.54 -0.31 0.00 0.00 175.10 174.37 2klx s LYS 28 N -3.83 3.12 0.03 4.82 -0.14 -1.26 -4.70 119.74 117.79 2klx s LYS 28 Ca 0.14 -0.85 0.02 0.00 -1.36 0.00 0.00 55.97 53.92 2klx s LYS 28 Cb 0.04 -3.48 -0.04 0.00 -1.68 0.00 0.00 37.83 32.67 2klx s LYS 28 CO 0.07 -0.47 0.03 1.52 -0.76 0.00 0.00 175.35 175.74 2klx s TYR 29 N 1.54 3.12 -0.22 3.18 -0.85 -1.26 -3.79 117.35 119.06 2klx s TYR 29 Ca 0.03 0.08 -0.01 0.00 -0.52 0.00 0.00 57.07 56.65 2klx s TYR 29 Cb -0.17 -1.65 0.02 0.00 0.38 0.00 0.00 41.96 40.54 2klx s TYR 29 CO 0.04 0.49 -0.10 0.99 -1.52 0.00 0.00 175.55 175.46 2klx s THR 30 N -1.21 2.73 0.05 -3.49 2.01 -0.27 -5.00 115.64 110.46 2klx s THR 30 Ca 0.23 -0.92 -0.27 0.00 0.31 0.00 0.00 61.69 61.04 2klx s THR 30 Cb -0.12 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.03 2klx s THR 30 CO 0.15 0.32 0.86 -0.62 -0.69 0.00 0.00 174.62 174.64 2klx s ASP 31 N 1.34 7.31 -0.18 3.53 2.15 -1.26 -1.15 116.67 128.41 2klx s ASP 31 Ca 0.02 1.57 0.01 0.00 0.43 0.00 0.00 52.55 54.58 2klx s ASP 31 Cb -0.15 -2.52 0.02 0.00 -0.30 0.00 0.00 42.92 39.97 2klx s ASP 31 CO -0.06 -0.06 -0.19 -0.63 -0.17 0.00 0.00 175.17 174.06 2klx s ILE 32 N 0.17 2.17 0.42 4.11 -1.09 0.16 -4.93 121.20 122.21 2klx s ILE 32 Ca 0.43 -0.91 -0.24 0.00 -2.23 0.00 0.00 60.65 57.70 2klx s ILE 32 Cb -0.21 -1.91 -0.10 0.00 -1.58 0.00 0.00 42.46 38.65 2klx s ILE 32 CO 0.26 0.53 1.06 0.47 -1.23 0.00 0.00 174.94 176.03 2klx n ASP 33 N 4.58 1.52 0.30 3.58 8.00 -1.25 -1.60 116.55 131.69 2klx n ASP 33 Ca -0.21 1.05 0.20 0.00 0.71 0.00 0.00 54.79 56.54 2klx n ASP 33 Cb 0.50 -1.38 1.05 0.00 -0.02 0.00 0.00 41.12 41.27 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 1.64 1.04 -0.91 2.24 0.00 -0.83 -3.38 119.26 119.07 2klx h ALA 34 Ca -0.45 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.89 2klx h ALA 34 Cb 1.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2klx h ALA 34 CO 0.57 -0.04 1.57 0.45 0.00 0.00 0.00 179.25 181.81 2klx n SER 35 N -2.89 1.64 0.01 0.00 2.88 -1.26 -4.75 113.62 109.25 2klx n SER 35 Ca -0.03 0.09 0.22 0.00 -1.33 0.00 0.00 58.87 57.83 2klx n SER 35 Cb 0.10 -1.25 0.73 0.00 -0.75 0.00 0.00 64.21 63.03 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 7.52 0.47 -0.92 2.46 1.35 -1.95 0.25 112.91 122.09 2klx h THR 36 Ca -0.20 0.00 0.26 0.00 -0.55 0.00 0.00 66.41 65.93 2klx h THR 36 Cb 1.31 0.63 -0.04 0.00 -1.73 0.00 0.00 68.15 68.31 2klx h THR 36 CO 1.16 0.00 0.66 -1.28 -0.25 0.00 0.00 175.52 175.81 2klx h SER 37 N 0.00 0.06 0.00 5.36 0.87 -1.94 0.52 113.55 118.42 2klx h SER 37 Ca 0.26 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2klx h SER 37 Cb 1.25 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 2klx h SER 37 CO -0.00 0.02 -0.99 0.18 -0.53 0.00 0.00 176.83 175.51 2klx n LEU 38 N -4.30 1.21 -0.03 2.23 4.77 0.02 -4.54 117.00 116.37 2klx n LEU 38 Ca 0.19 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 2klx n LEU 38 Cb 0.96 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.97 2klx n LEU 38 CO 0.38 0.20 0.71 -0.09 -1.33 0.00 0.00 177.39 177.26 2klx h ARG 39 N 0.00 0.15 -0.85 3.23 2.43 -0.48 -0.92 114.38 117.94 2klx h ARG 39 Ca 0.00 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2klx h ARG 39 Cb 0.99 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.48 2klx h ARG 39 CO 0.00 0.45 0.55 0.37 -1.51 0.00 0.00 179.97 179.83 2klx h GLN 40 N -0.16 1.07 -0.26 0.20 4.15 -1.08 0.23 115.11 119.26 2klx h GLN 40 Ca 0.02 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.34 2klx h GLN 40 Cb 0.38 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2klx h GLN 40 CO 0.01 0.71 -0.00 0.93 -1.93 0.00 0.00 178.83 178.54 2klx h GLU 41 N 1.10 0.45 0.16 1.69 5.08 -1.61 0.23 114.58 121.68 2klx h GLU 41 Ca 0.32 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 2klx h GLU 41 Cb -0.06 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2klx h GLU 41 CO -0.09 0.63 -0.08 0.52 -1.00 0.00 0.00 179.01 178.99 2klx h MET 42 N 0.23 -0.20 -0.13 2.33 2.86 -0.82 -1.23 114.93 117.97 2klx h MET 42 Ca 0.07 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 2klx h MET 42 Cb 0.42 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 2klx h MET 42 CO 0.01 0.05 0.01 -0.24 1.06 0.00 0.00 176.91 177.80 2klx h VAL 43 N -0.44 1.08 -0.06 -2.22 3.04 -0.58 0.30 116.25 117.37 2klx h VAL 43 Ca -0.02 -0.31 -0.02 0.00 -1.01 0.00 0.00 66.70 65.34 2klx h VAL 43 Cb 0.35 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2klx h VAL 43 CO 0.04 0.10 -0.05 1.56 -1.01 0.00 0.00 177.57 178.21 2klx h GLN 44 N 0.18 0.14 0.00 4.17 1.08 -0.74 0.24 115.11 120.18 2klx h GLN 44 Ca 0.04 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.18 2klx h GLN 44 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 2klx h GLN 44 CO 0.00 0.58 0.00 -2.13 -0.95 0.00 0.00 178.83 176.33 2klx n ARG 45 N -4.75 0.06 -0.05 1.46 0.63 -0.48 0.56 116.66 114.09 2klx n ARG 45 Ca -0.08 0.07 -0.21 0.00 -0.92 0.00 0.00 57.85 56.72 2klx n ARG 45 Cb 0.29 -1.57 -0.13 0.00 0.45 0.00 0.00 32.46 31.50 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2klx n ALA 46 N -1.56 1.06 -0.10 5.13 0.00 0.10 -4.71 120.51 120.43 2klx n ALA 46 Ca 0.06 -0.76 -0.19 0.00 0.00 0.00 0.00 53.44 52.54 2klx n ALA 46 Cb 0.34 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.25 2klx n ALA 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2klx n ASN 47 N -3.50 1.81 0.00 0.00 5.15 0.85 -4.94 115.26 114.63 2klx n ASN 47 Ca -0.37 0.13 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 2klx n ASN 47 Cb 1.00 -0.51 0.00 0.00 -0.53 0.00 0.00 39.78 39.74 2klx n ASN 47 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2klx n GLY 48 N 1.98 4.15 3.18 8.20 0.00 0.19 -5.02 105.19 117.88 2klx n GLY 48 Ca -0.39 -0.75 0.02 0.00 0.00 0.00 0.00 46.02 44.90 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 0.70 -0.09 1.61 3.52 -1.25 -4.76 118.95 118.68 2klx s ARG 49 Ca 0.00 0.07 -0.26 0.00 -0.13 0.00 0.00 55.73 55.42 2klx s ARG 49 Cb 0.00 0.16 0.06 0.00 -1.56 0.00 0.00 34.95 33.61 2klx s ARG 49 CO 0.00 -1.12 0.59 1.21 -0.81 0.00 0.00 175.30 175.18 2klx s ASN 50 N 2.26 -0.57 -0.37 -2.12 2.47 -1.26 -5.02 114.94 110.33 2klx s ASN 50 Ca 0.14 0.73 0.13 0.00 0.42 0.00 0.00 52.86 54.28 2klx s ASN 50 Cb -0.06 0.68 0.40 0.00 -1.45 0.00 0.00 41.25 40.82 2klx s ASN 50 CO -0.15 -0.48 1.00 1.07 -3.72 0.00 0.00 177.10 174.83 2klx n THR 51 N 1.44 0.37 -3.71 -5.21 5.66 -1.26 -4.27 114.28 107.30 2klx n THR 51 Ca -0.18 -2.90 -0.11 0.00 -3.05 0.00 0.00 64.05 57.80 2klx n THR 51 Cb 0.56 0.62 -0.06 0.00 -1.55 0.00 0.00 70.33 69.90 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 -1.83 -0.15 0.25 1.09 0.08 -1.26 -5.04 117.98 111.13 2klx s PHE 52 Ca 0.28 -0.03 -0.30 0.00 0.12 0.00 0.00 56.93 57.01 2klx s PHE 52 Cb 0.40 0.15 -0.09 0.00 -0.57 0.00 0.00 43.02 42.91 2klx s PHE 52 CO -0.03 -0.57 1.27 -1.25 -0.10 0.00 0.00 175.22 174.54 2klx s PRO 53 N -2.93 4.43 0.02 0.24 0.04 -1.26 -5.00 135.00 130.53 2klx s PRO 53 Ca -0.02 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.78 2klx s PRO 53 Cb 0.00 -3.16 0.10 0.00 0.04 0.00 0.00 34.50 31.48 2klx s PRO 53 CO -0.06 -0.15 1.24 1.14 0.04 0.00 0.00 177.00 179.22 2klx s GLN 54 N -0.82 0.54 -0.30 4.56 1.03 -0.53 -4.83 119.66 119.31 2klx s GLN 54 Ca 0.52 -0.34 -0.11 0.00 0.04 0.00 0.00 55.36 55.48 2klx s GLN 54 Cb -0.36 0.16 -0.02 0.00 0.03 0.00 0.00 33.01 32.81 2klx s GLN 54 CO 0.43 -0.25 0.17 0.42 -2.54 0.00 0.00 175.29 173.52 2klx s ILE 55 N -2.20 4.91 -0.00 3.63 1.09 -1.26 -0.73 121.20 126.63 2klx s ILE 55 Ca 0.23 -0.20 -0.07 0.00 -1.10 0.00 0.00 60.65 59.51 2klx s ILE 55 Cb 0.01 -3.45 -0.05 0.00 -1.06 0.00 0.00 42.46 37.91 2klx s ILE 55 CO -0.01 0.12 0.27 0.12 -0.10 0.00 0.00 174.94 175.34 2klx s PHE 56 N 1.68 3.59 -0.25 3.97 2.19 0.89 -1.30 117.98 128.74 2klx s PHE 56 Ca 0.06 0.61 -0.04 0.00 0.33 0.00 0.00 56.93 57.89 2klx s PHE 56 Cb -0.17 -2.02 0.09 0.00 -1.31 0.00 0.00 43.02 39.62 2klx s PHE 56 CO 0.08 0.62 0.13 0.96 1.83 0.00 0.00 175.22 178.85 2klx s ILE 57 N -1.26 -0.11 0.00 3.12 -0.00 0.24 -1.17 121.20 122.02 2klx s ILE 57 Ca 0.26 -0.52 0.00 0.00 -0.00 0.00 0.00 60.65 60.39 2klx s ILE 57 Cb -0.13 -0.84 0.00 0.00 -0.00 0.00 0.00 42.46 41.49 2klx s ILE 57 CO 0.15 -0.55 0.00 0.61 -0.00 0.00 0.00 174.94 175.15 2klx n GLY 58 N 5.27 0.60 0.48 6.27 0.00 0.20 -1.11 105.19 116.89 2klx n GLY 58 Ca -0.06 0.55 0.04 0.00 0.00 0.00 0.00 46.02 46.56 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 4.35 1.07 -4.19 1.61 8.00 -1.26 -4.91 116.55 121.21 2klx n ASP 59 Ca 0.00 -2.54 -0.22 0.00 0.71 0.00 0.00 54.79 52.75 2klx n ASP 59 Cb 0.00 -0.32 -0.13 0.00 -0.02 0.00 0.00 41.12 40.65 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 -1.27 1.44 -0.20 1.24 5.04 -0.27 -5.03 117.35 118.31 2klx s TYR 60 Ca 0.18 -0.38 0.00 0.00 -2.44 0.00 0.00 57.07 54.43 2klx s TYR 60 Cb 0.17 -0.84 0.02 0.00 0.35 0.00 0.00 41.96 41.67 2klx s TYR 60 CO -0.02 0.08 -0.15 -3.38 -1.34 0.00 0.00 175.55 170.74 2klx s HIS 61 N -0.95 2.88 0.00 4.97 -3.43 -1.26 -0.59 115.29 116.91 2klx s HIS 61 Ca 0.03 -1.59 0.00 0.00 -0.80 0.00 0.00 55.06 52.70 2klx s HIS 61 Cb -0.09 -1.97 0.00 0.00 -1.43 0.00 0.00 32.58 29.10 2klx s HIS 61 CO 0.02 -0.77 0.38 0.28 -2.00 0.00 0.00 174.74 172.65 2klx n VAL 62 N 4.64 0.00 0.00 -5.38 0.31 -0.42 -5.01 118.33 112.47 2klx n VAL 62 Ca -0.19 0.75 0.00 0.00 -0.01 0.00 0.00 64.34 64.88 2klx n VAL 62 Cb 0.49 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 0.72 3.63 2.98 2.92 0.00 -1.26 -4.95 105.19 109.24 2klx n GLY 63 Ca 0.00 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.89 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 0.59 0.26 -0.02 0.00 -1.26 -4.46 107.32 102.44 2klx s GLY 64 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 44.72 44.42 2klx s GLY 64 CO 0.00 0.11 1.78 0.00 0.00 0.00 0.00 173.10 174.99 2klx h ASP 66 N 0.72 0.00 -0.37 0.00 2.03 -1.99 -2.12 116.42 114.69 2klx h ASP 66 Ca 0.46 0.00 -0.12 0.00 -0.73 0.00 0.00 57.03 56.63 2klx h ASP 66 Cb 0.58 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.07 2klx h ASP 66 CO -0.32 0.06 -0.25 -0.78 -1.03 0.00 0.00 179.24 176.92 2klx h ASP 67 N 0.00 0.87 0.09 4.15 3.58 -0.92 -0.49 116.42 123.71 2klx h ASP 67 Ca -0.00 -0.43 -0.14 0.00 0.42 0.00 0.00 57.03 56.88 2klx h ASP 67 Cb 0.15 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.95 2klx h ASP 67 CO 0.01 1.11 -0.47 0.17 -2.88 0.00 0.00 179.24 177.18 2klx h LEU 68 N 0.63 0.48 0.13 2.28 8.10 -1.24 -0.89 115.31 124.80 2klx h LEU 68 Ca 0.07 -0.23 -0.01 0.00 0.11 0.00 0.00 57.88 57.83 2klx h LEU 68 Cb 0.82 -0.14 0.00 0.00 -0.44 0.00 0.00 40.66 40.90 2klx h LEU 68 CO 0.07 0.88 -0.06 1.88 -4.11 0.00 0.00 178.44 177.10 2klx h TYR 69 N 0.36 -0.16 -0.09 0.17 0.05 -1.37 -1.34 116.97 114.60 2klx h TYR 69 Ca 0.02 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.80 2klx h TYR 69 Cb 0.96 0.05 -0.00 0.00 1.01 0.00 0.00 36.73 38.75 2klx h TYR 69 CO 0.03 0.31 0.05 0.00 -1.05 0.00 0.00 178.16 177.50 2klx h ALA 70 N -0.08 0.11 -0.13 3.88 0.00 -1.14 -1.28 119.26 120.63 2klx h ALA 70 Ca -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.87 2klx h ALA 70 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2klx h ALA 70 CO 0.03 -0.38 0.07 -0.07 0.00 0.00 0.00 179.25 178.90 2klx h LEU 71 N 0.08 0.11 -0.92 0.00 3.38 -1.26 0.42 115.31 117.12 2klx h LEU 71 Ca 0.03 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.08 2klx h LEU 71 Cb 0.03 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 2klx h LEU 71 CO -0.01 0.08 0.57 -0.08 0.09 0.00 0.00 178.44 179.10 2klx h GLU 72 N 0.15 0.97 0.00 1.13 4.22 -1.11 0.36 114.58 120.29 2klx h GLU 72 Ca 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2klx h GLU 72 Cb -0.00 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.03 2klx h GLU 72 CO -0.03 0.64 -0.07 -0.97 -2.18 0.00 0.00 179.01 176.40 2klx h ASN 73 N 1.00 0.00 1.40 1.04 -1.24 -0.80 -3.01 115.58 113.97 2klx h ASN 73 Ca 0.42 -0.02 -0.06 0.00 0.71 0.00 0.00 56.30 57.35 2klx h ASN 73 Cb 0.27 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 2klx h ASN 73 CO -0.21 0.01 -0.62 0.11 -1.29 0.00 0.00 177.43 175.43 2klx h LYS 74 N 0.00 0.00 0.00 6.67 1.57 0.19 -3.47 116.57 121.53 2klx h LYS 74 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2klx h LYS 74 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2klx h LYS 74 CO 0.00 0.20 0.00 0.41 -0.57 0.00 0.00 179.45 179.49 2klx n GLY 75 N 1.21 -0.08 0.01 3.86 0.00 -0.24 -4.99 105.19 104.95 2klx n GLY 75 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 1.01 -0.33 1.61 4.76 0.10 -3.90 118.16 121.41 2klx n LYS 76 Ca 0.00 -0.01 0.12 0.00 -2.87 0.00 0.00 58.31 55.55 2klx n LYS 76 Cb 0.00 -1.46 0.31 0.00 -1.84 0.00 0.00 35.03 32.04 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 0.03 0.66 -0.28 -0.35 5.85 -1.66 -0.53 115.31 119.04 2klx h LEU 77 Ca 0.00 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.88 2klx h LEU 77 Cb 0.01 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2klx h LEU 77 CO 0.00 0.21 -0.08 -0.78 -0.34 0.00 0.00 178.44 177.45 2klx h ASP 78 N 0.67 -0.29 -0.07 1.25 1.82 -1.89 0.85 116.42 118.76 2klx h ASP 78 Ca 0.56 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 57.28 2klx h ASP 78 Cb 0.90 0.19 -0.00 0.00 0.68 0.00 0.00 39.33 41.09 2klx h ASP 78 CO -0.41 -0.10 0.01 -1.28 -1.61 0.00 0.00 179.24 175.85 2klx h SER 79 N -0.02 0.11 -0.85 2.28 0.87 -1.45 -1.26 113.55 113.23 2klx h SER 79 Ca 0.14 -0.24 0.13 0.00 -1.23 0.00 0.00 61.79 60.58 2klx h SER 79 Cb 0.22 -0.03 -0.06 0.00 -0.44 0.00 0.00 62.40 62.09 2klx h SER 79 CO -0.30 0.33 0.55 -0.07 -0.53 0.00 0.00 176.83 176.81 2klx h LEU 80 N -0.11 0.64 0.03 2.23 -0.00 -0.85 0.81 115.31 118.05 2klx h LEU 80 Ca 0.02 0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2klx h LEU 80 Cb 0.26 -0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 2klx h LEU 80 CO 0.00 0.34 -0.01 -0.07 -0.00 0.00 0.00 178.44 178.70 2klx h LEU 81 N 0.68 -0.03 -2.42 1.67 4.07 -0.62 -0.43 115.31 118.23 2klx h LEU 81 Ca 0.42 -0.54 -0.00 0.00 0.08 0.00 0.00 57.88 57.84 2klx h LEU 81 Cb 0.65 0.01 -0.00 0.00 1.08 0.00 0.00 40.66 42.40 2klx h LEU 81 CO -0.18 0.54 -0.01 -0.61 -1.08 0.00 0.00 178.44 177.10 2klx h GLN 82 N -0.62 0.00 0.00 1.13 4.15 -0.63 0.25 115.11 119.40 2klx h GLN 82 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 2klx h GLN 82 Cb 0.57 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.25 2klx h GLN 82 CO 0.01 0.01 -0.30 0.22 -1.93 0.00 0.00 178.83 176.84 2klx h ASP 83 N 0.00 0.00 0.66 -0.69 1.82 -0.80 -3.33 116.42 114.09 2klx h ASP 83 Ca -0.00 -0.64 -0.00 0.00 -0.39 0.00 0.00 57.03 56.00 2klx h ASP 83 Cb 0.03 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.04 2klx h ASP 83 CO 0.00 1.00 -0.01 -0.37 -1.61 0.00 0.00 179.24 178.24 2klx h VAL 84 N -1.00 0.05 0.00 2.25 -1.51 -0.83 -3.37 116.25 111.85 2klx h VAL 84 Ca -0.07 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2klx h VAL 84 Cb 0.85 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 2klx h VAL 84 CO -0.05 0.01 0.00 1.57 -1.23 0.00 0.00 177.57 177.88