#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klx n PRO -2 N 0.00 -2.26 0.00 1.61 -0.04 -1.26 -5.08 135.00 127.97 2klx n PRO -2 Ca 0.00 -1.02 0.00 0.00 -0.04 0.00 0.00 63.50 62.44 2klx n PRO -2 Cb 0.00 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 2klx n PRO -2 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2klx n GLY -1 N -1.75 3.11 2.72 0.55 0.00 -1.26 -5.11 105.19 103.44 2klx n GLY -1 Ca 0.09 -0.08 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2klx n GLY -1 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2klx s SER 0 N 0.00 3.70 0.21 1.61 1.04 -1.26 -5.10 113.70 113.90 2klx s SER 0 Ca 0.00 -2.48 -0.06 0.00 0.48 0.00 0.00 55.95 53.89 2klx s SER 0 Cb 0.00 -1.01 -0.02 0.00 0.10 0.00 0.00 66.02 65.08 2klx s SER 0 CO 0.00 -0.29 0.26 -0.04 0.98 0.00 0.00 173.24 174.15 2klx s MET 1 N 0.54 1.29 1.18 4.02 -1.94 -1.26 -5.17 119.30 117.95 2klx s MET 1 Ca 0.17 -1.44 -0.16 0.00 -1.71 0.00 0.00 55.69 52.55 2klx s MET 1 Cb -0.24 0.35 0.27 0.00 2.01 0.00 0.00 34.83 37.22 2klx s MET 1 CO -0.03 -0.47 1.05 0.15 -0.01 0.00 0.00 175.02 175.72 2klx s LYS 2 N -4.08 -1.00 -0.01 2.03 -0.14 -1.14 -5.07 119.74 110.32 2klx s LYS 2 Ca 0.30 0.38 -0.04 0.00 -1.36 0.00 0.00 55.97 55.25 2klx s LYS 2 Cb 0.04 -1.58 -0.00 0.00 -1.68 0.00 0.00 37.83 34.61 2klx s LYS 2 CO 0.09 -3.66 0.09 -1.83 -0.76 0.00 0.00 175.35 169.27 2klx s GLU 3 N -4.94 0.32 -0.09 1.68 -1.05 -1.24 -4.64 118.70 108.74 2klx s GLU 3 Ca 0.68 -0.27 -0.01 0.00 -0.15 0.00 0.00 54.97 55.23 2klx s GLU 3 Cb -0.17 0.13 -0.03 0.00 -0.44 0.00 0.00 34.13 33.62 2klx s GLU 3 CO 0.59 -0.07 -0.06 -1.50 0.95 0.00 0.00 175.26 175.18 2klx s ILE 4 N -0.93 3.78 0.06 1.83 -1.16 -1.26 -0.08 121.20 123.45 2klx s ILE 4 Ca -0.10 -0.44 0.05 0.00 -0.51 0.00 0.00 60.65 59.66 2klx s ILE 4 Cb -0.06 -2.58 -0.03 0.00 0.61 0.00 0.00 42.46 40.41 2klx s ILE 4 CO 0.00 0.57 -0.15 -0.63 -2.81 0.00 0.00 174.94 171.93 2klx s ILE 5 N -0.48 1.19 -0.05 2.00 1.01 -0.23 -1.48 121.20 123.16 2klx s ILE 5 Ca 0.07 -1.22 0.04 0.00 0.00 0.00 0.00 60.65 59.54 2klx s ILE 5 Cb -0.12 -1.11 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 2klx s ILE 5 CO 0.02 -0.12 -0.17 -0.76 0.00 0.00 0.00 174.94 173.91 2klx s LEU 6 N -1.54 2.57 -0.28 2.97 1.43 0.64 0.14 118.68 124.62 2klx s LEU 6 Ca 0.00 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 2klx s LEU 6 Cb -0.09 -1.51 0.07 0.00 0.03 0.00 0.00 46.19 44.69 2klx s LEU 6 CO 0.02 0.33 -0.03 -0.31 0.23 0.00 0.00 176.35 176.59 2klx s TYR 7 N -0.63 2.93 -0.01 0.29 2.02 -0.07 0.22 117.35 122.10 2klx s TYR 7 Ca 0.09 -2.24 -0.23 0.00 -0.37 0.00 0.00 57.07 54.32 2klx s TYR 7 Cb -0.11 -2.04 0.08 0.00 -0.40 0.00 0.00 41.96 39.49 2klx s TYR 7 CO 0.01 -0.86 1.05 0.25 -1.57 0.00 0.00 175.55 174.43 2klx n THR 8 N 4.51 0.00 -2.75 -0.71 -2.24 -0.73 -0.68 114.28 111.68 2klx n THR 8 Ca -0.08 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.27 2klx n THR 8 Cb 0.43 0.49 -0.02 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.05 118.95 120.22 2klx s ARG 9 Ca 0.25 0.37 0.14 0.00 -0.47 0.00 0.00 55.73 56.02 2klx s ARG 9 Cb -0.01 -2.38 0.68 0.00 -0.57 0.00 0.00 34.95 32.67 2klx s ARG 9 CO -0.00 -0.11 1.43 -0.35 -1.08 0.00 0.00 175.30 175.18 2klx n PRO 10 N -1.69 0.12 -1.64 3.89 -0.04 -1.26 -3.42 135.00 130.96 2klx n PRO 10 Ca 0.02 0.20 -0.33 0.00 -0.04 0.00 0.00 63.50 63.34 2klx n PRO 10 Cb 0.54 -1.50 0.01 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 -1.38 7.13 -4.08 3.54 2.85 -1.26 -4.85 115.26 117.21 2klx n ASN 11 Ca 0.05 -3.57 -0.35 0.00 -0.11 0.00 0.00 54.58 50.60 2klx n ASN 11 Cb 0.14 -1.11 -0.11 0.00 1.24 0.00 0.00 39.78 39.93 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 3.94 0.12 -0.00 0.00 -0.04 -1.26 -1.94 135.00 135.82 2klx n PRO 13 Ca 0.03 0.20 0.10 0.00 -0.04 0.00 0.00 63.50 63.79 2klx n PRO 13 Cb 0.39 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.38 0.01 0.14 0.54 4.01 -1.26 -4.27 117.16 114.95 2klx n TYR 14 Ca 0.05 0.00 0.19 0.00 -0.16 0.00 0.00 57.90 57.99 2klx n TYR 14 Cb 0.14 -0.10 0.78 0.00 -0.31 0.00 0.00 39.34 39.85 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 0.38 0.00 0.00 1.57 -1.78 -0.23 116.57 116.51 2klx h LYS 16 Ca 0.15 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2klx h LYS 16 Cb 0.81 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2klx h LYS 16 CO -0.00 0.25 -0.00 0.00 -0.57 0.00 0.00 179.45 179.13 2klx h ARG 17 N 0.39 -0.00 0.36 3.15 2.47 -1.51 0.12 114.38 119.35 2klx h ARG 17 Ca 0.55 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.26 2klx h ARG 17 Cb 1.40 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.72 2klx h ARG 17 CO -0.24 0.20 -0.23 0.00 0.56 0.00 0.00 179.97 180.26 2klx h ALA 18 N 0.79 -0.57 -0.08 0.04 0.00 -1.23 -0.95 119.26 117.26 2klx h ALA 18 Ca -0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2klx h ALA 18 Cb 0.21 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2klx h ALA 18 CO 0.00 -0.83 -0.03 0.07 0.00 0.00 0.00 179.25 178.46 2klx h ARG 19 N -0.57 0.11 -0.02 0.00 0.11 -1.31 -1.89 114.38 110.81 2klx h ARG 19 Ca -0.03 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.03 2klx h ARG 19 Cb 0.48 -0.02 -0.00 0.00 1.11 0.00 0.00 29.97 31.54 2klx h ARG 19 CO 0.03 0.15 0.00 0.22 0.10 0.00 0.00 179.97 180.47 2klx h ASP 20 N 0.11 0.03 0.30 0.08 1.82 -0.22 0.01 116.42 118.55 2klx h ASP 20 Ca 0.03 -0.30 -0.01 0.00 -0.39 0.00 0.00 57.03 56.35 2klx h ASP 20 Cb 0.13 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 40.13 2klx h ASP 20 CO 0.00 0.32 -0.14 0.25 -1.61 0.00 0.00 179.24 178.07 2klx h LEU 21 N -0.27 -0.34 0.44 2.28 5.85 -0.85 0.26 115.31 122.68 2klx h LEU 21 Ca 0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2klx h LEU 21 Cb 0.31 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2klx h LEU 21 CO 0.00 -0.17 -0.37 -0.07 -0.34 0.00 0.00 178.44 177.49 2klx h LEU 22 N -0.49 -0.97 -0.64 2.25 4.07 -1.40 -1.11 115.31 117.02 2klx h LEU 22 Ca -0.04 0.07 0.07 0.00 0.08 0.00 0.00 57.88 58.06 2klx h LEU 22 Cb 0.37 0.31 -0.06 0.00 1.08 0.00 0.00 40.66 42.36 2klx h LEU 22 CO 0.07 -0.53 0.33 -0.78 -1.08 0.00 0.00 178.44 176.45 2klx h ASP 23 N -0.81 0.47 -0.93 -0.43 3.58 -1.00 -0.87 116.42 116.44 2klx h ASP 23 Ca -0.04 0.04 0.10 0.00 0.42 0.00 0.00 57.03 57.54 2klx h ASP 23 Cb 0.70 -0.05 -0.08 0.00 1.72 0.00 0.00 39.33 41.62 2klx h ASP 23 CO -0.02 0.30 0.57 0.50 -2.88 0.00 0.00 179.24 177.71 2klx h LYS 24 N 0.61 0.92 -0.09 0.28 3.11 -0.17 -0.96 116.57 120.28 2klx h LYS 24 Ca 0.29 -0.06 -0.14 0.00 -2.81 0.00 0.00 60.65 57.94 2klx h LYS 24 Cb 0.22 -0.21 -0.01 0.00 -1.00 0.00 0.00 32.23 31.23 2klx h LYS 24 CO -0.20 0.61 -0.56 0.87 -2.81 0.00 0.00 179.45 177.35 2klx h LYS 25 N 0.95 0.27 0.00 1.90 6.56 -0.24 -3.48 116.57 122.52 2klx h LYS 25 Ca 0.44 -0.17 0.00 0.00 -1.06 0.00 0.00 60.65 59.86 2klx h LYS 25 Cb 0.36 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.04 2klx h LYS 25 CO -0.24 0.76 0.00 0.41 -2.06 0.00 0.00 179.45 178.32 2klx n GLY 26 N 0.19 0.63 2.28 3.86 0.00 -0.36 -5.11 105.19 106.68 2klx n GLY 26 Ca -0.02 -0.24 -0.18 0.00 0.00 0.00 0.00 46.02 45.59 2klx n GLY 26 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2klx n VAL 27 N 0.00 0.00 -4.02 1.61 0.24 -1.11 -4.96 118.33 110.10 2klx n VAL 27 Ca 0.00 -1.60 -0.31 0.00 -2.04 0.00 0.00 64.34 60.38 2klx n VAL 27 Cb 0.00 0.54 -0.15 0.00 -1.47 0.00 0.00 33.84 32.76 2klx n VAL 27 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2klx s LYS 28 N -3.07 1.98 -0.09 7.34 -0.14 -1.26 -4.61 119.74 119.89 2klx s LYS 28 Ca 0.12 -1.20 -0.06 0.00 -1.36 0.00 0.00 55.97 53.47 2klx s LYS 28 Cb 0.01 -2.77 -0.04 0.00 -1.68 0.00 0.00 37.83 33.35 2klx s LYS 28 CO 0.09 -0.58 0.14 1.52 -0.76 0.00 0.00 175.35 175.75 2klx s TYR 29 N 1.22 3.56 -0.32 3.18 -0.85 -1.26 -4.01 117.35 118.87 2klx s TYR 29 Ca -0.08 0.47 -0.06 0.00 -0.52 0.00 0.00 57.07 56.88 2klx s TYR 29 Cb -0.20 -1.90 0.04 0.00 0.38 0.00 0.00 41.96 40.28 2klx s TYR 29 CO -0.05 0.70 0.08 0.99 -1.52 0.00 0.00 175.55 175.75 2klx s THR 30 N -1.10 3.65 0.18 -3.49 2.01 -0.55 -4.98 115.64 111.37 2klx s THR 30 Ca 0.18 -1.11 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 2klx s THR 30 Cb -0.12 -3.04 -0.08 0.00 0.01 0.00 0.00 72.50 69.27 2klx s THR 30 CO 0.08 -0.12 1.01 -0.62 -0.69 0.00 0.00 174.62 174.28 2klx s ASP 31 N 1.39 7.45 -0.16 3.53 2.15 -1.26 -0.26 116.67 129.50 2klx s ASP 31 Ca -0.02 1.97 0.01 0.00 0.43 0.00 0.00 52.55 54.95 2klx s ASP 31 Cb -0.19 -2.60 0.02 0.00 -0.30 0.00 0.00 42.92 39.84 2klx s ASP 31 CO 0.02 -0.06 -0.19 -0.63 -0.17 0.00 0.00 175.17 174.14 2klx s ILE 32 N -0.50 1.93 0.48 4.11 -1.09 0.13 -4.89 121.20 121.39 2klx s ILE 32 Ca 0.46 -0.87 -0.24 0.00 -2.23 0.00 0.00 60.65 57.77 2klx s ILE 32 Cb -0.27 -1.75 -0.08 0.00 -1.58 0.00 0.00 42.46 38.78 2klx s ILE 32 CO 0.33 0.52 1.29 0.47 -1.23 0.00 0.00 174.94 176.32 2klx n ASP 33 N 4.55 2.51 -3.19 3.58 8.00 -1.25 -1.78 116.55 128.97 2klx n ASP 33 Ca -0.20 1.04 -0.31 0.00 0.71 0.00 0.00 54.79 56.03 2klx n ASP 33 Cb 0.50 -1.53 -0.03 0.00 -0.02 0.00 0.00 41.12 40.05 2klx n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2klx n ALA 34 N -0.62 6.35 -3.88 2.24 0.00 0.92 -4.54 120.51 120.98 2klx n ALA 34 Ca 0.08 -2.82 -0.30 0.00 0.00 0.00 0.00 53.44 50.41 2klx n ALA 34 Cb 0.42 -3.17 -0.15 0.00 0.00 0.00 0.00 19.45 16.55 2klx n ALA 34 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2klx s SER 35 N 2.65 3.98 0.56 0.00 0.01 -1.26 -4.87 113.70 114.77 2klx s SER 35 Ca 0.57 -1.44 0.36 0.00 1.31 0.00 0.00 55.95 56.75 2klx s SER 35 Cb 0.15 -1.12 1.51 0.00 0.21 0.00 0.00 66.02 66.77 2klx s SER 35 CO -0.05 -0.32 1.75 0.71 0.41 0.00 0.00 173.24 175.75 2klx h THR 36 N 6.60 0.33 -1.20 1.44 1.35 -1.93 0.49 112.91 119.99 2klx h THR 36 Ca -0.14 0.00 0.34 0.00 -0.55 0.00 0.00 66.41 66.06 2klx h THR 36 Cb 1.05 0.36 -0.06 0.00 -1.73 0.00 0.00 68.15 67.77 2klx h THR 36 CO 0.44 0.00 0.84 -1.28 -0.25 0.00 0.00 175.52 175.27 2klx h SER 37 N 0.00 0.10 0.00 5.36 0.87 -1.96 -1.82 113.55 116.10 2klx h SER 37 Ca 0.55 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.13 2klx h SER 37 Cb 2.33 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 64.30 2klx h SER 37 CO -0.01 0.01 -0.50 0.18 -0.53 0.00 0.00 176.83 175.98 2klx n LEU 38 N -4.28 1.36 -0.01 2.23 7.99 0.62 -4.77 117.00 120.14 2klx n LEU 38 Ca 0.27 0.00 0.09 0.00 -0.01 0.00 0.00 56.01 56.36 2klx n LEU 38 Cb 1.21 0.00 0.50 0.00 -0.11 0.00 0.00 43.42 45.03 2klx n LEU 38 CO 0.37 0.23 1.16 -0.09 -1.51 0.00 0.00 177.39 177.55 2klx h ARG 39 N 0.00 0.38 -0.51 3.23 2.43 -0.22 -1.34 114.38 118.34 2klx h ARG 39 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2klx h ARG 39 Cb 0.50 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 2klx h ARG 39 CO 0.00 0.25 0.25 0.37 -1.51 0.00 0.00 179.97 179.33 2klx h GLN 40 N 0.39 0.74 -0.20 0.20 4.15 -1.49 0.29 115.11 119.18 2klx h GLN 40 Ca 0.20 -0.11 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 2klx h GLN 40 Cb 0.29 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 2klx h GLN 40 CO -0.05 0.61 -0.20 0.93 -1.93 0.00 0.00 178.83 178.20 2klx h GLU 41 N 0.68 0.48 0.22 1.69 5.08 -1.52 -0.62 114.58 120.60 2klx h GLU 41 Ca 0.18 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2klx h GLU 41 Cb 0.12 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.38 2klx h GLU 41 CO -0.02 0.83 -0.10 1.98 -1.00 0.00 0.00 179.01 180.69 2klx h MET 42 N 0.16 -0.28 -0.24 2.33 4.05 -1.16 -1.49 114.93 118.30 2klx h MET 42 Ca 0.03 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 2klx h MET 42 Cb 0.74 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.59 2klx h MET 42 CO 0.05 -0.05 0.02 -0.24 0.23 0.00 0.00 176.91 176.92 2klx h VAL 43 N -0.47 1.14 0.09 -5.77 3.04 -0.50 0.24 116.25 114.01 2klx h VAL 43 Ca -0.03 -0.51 -0.00 0.00 -1.01 0.00 0.00 66.70 65.15 2klx h VAL 43 Cb 0.35 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2klx h VAL 43 CO 0.05 0.17 -0.04 -0.61 -1.01 0.00 0.00 177.57 176.13 2klx h GLN 44 N 0.34 -0.11 0.00 4.17 4.15 -0.91 -1.10 115.11 121.65 2klx h GLN 44 Ca 0.08 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.51 2klx h GLN 44 Cb 0.19 0.03 0.00 0.00 0.21 0.00 0.00 27.48 27.91 2klx h GLN 44 CO 0.00 0.18 0.00 -2.13 -1.93 0.00 0.00 178.83 174.95 2klx n ARG 45 N -5.01 0.03 0.06 1.69 0.63 -0.58 0.71 116.66 114.20 2klx n ARG 45 Ca -0.08 0.06 -0.22 0.00 -0.92 0.00 0.00 57.85 56.68 2klx n ARG 45 Cb 0.19 -1.54 -0.15 0.00 0.45 0.00 0.00 32.46 31.41 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2klx h ALA 46 N 2.88 0.07 0.00 5.13 0.00 -0.31 -3.44 119.26 123.59 2klx h ALA 46 Ca 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 53.90 2klx h ALA 46 Cb 0.50 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2klx h ALA 46 CO 0.00 0.81 -0.39 0.27 0.00 0.00 0.00 179.25 179.94 2klx n ASN 47 N -3.79 1.69 0.00 0.00 6.94 -0.43 -4.90 115.26 114.77 2klx n ASN 47 Ca -0.22 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.34 2klx n ASN 47 Cb 0.99 0.06 0.00 0.00 -2.36 0.00 0.00 39.78 38.48 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 2.02 2.07 3.46 4.83 0.00 0.22 -5.03 105.19 112.76 2klx n GLY 48 Ca 0.00 -0.23 0.01 0.00 0.00 0.00 0.00 46.02 45.81 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 0.21 0.24 1.61 3.52 -1.26 -4.41 118.95 118.87 2klx s ARG 49 Ca 0.00 0.45 0.02 0.00 -0.13 0.00 0.00 55.73 56.07 2klx s ARG 49 Cb 0.00 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.54 2klx s ARG 49 CO 0.00 -0.06 0.17 1.21 -0.81 0.00 0.00 175.30 175.82 2klx s ASN 50 N 1.82 0.67 -0.02 -2.12 2.47 -1.26 -4.99 114.94 111.51 2klx s ASN 50 Ca -0.05 -1.51 0.03 0.00 0.42 0.00 0.00 52.86 51.76 2klx s ASN 50 Cb -0.04 0.43 0.06 0.00 -1.45 0.00 0.00 41.25 40.25 2klx s ASN 50 CO -0.15 -0.91 1.04 0.41 -3.72 0.00 0.00 177.10 173.78 2klx n THR 51 N -0.39 0.01 -3.71 -5.21 -1.04 -1.26 -4.97 114.28 97.71 2klx n THR 51 Ca 0.04 -0.15 -0.14 0.00 -2.04 0.00 0.00 64.05 61.76 2klx n THR 51 Cb 0.65 0.57 -0.08 0.00 -1.82 0.00 0.00 70.33 69.65 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 -0.01 -0.25 0.40 -1.42 0.40 -1.26 -5.16 117.98 110.68 2klx s PHE 52 Ca 0.03 0.33 -0.25 0.00 -0.60 0.00 0.00 56.93 56.44 2klx s PHE 52 Cb 0.06 0.16 -0.08 0.00 0.51 0.00 0.00 43.02 43.66 2klx s PHE 52 CO -0.02 -0.47 1.19 -1.25 0.70 0.00 0.00 175.22 175.38 2klx s PRO 53 N -1.67 4.04 -0.06 0.24 0.04 -1.26 -5.01 135.00 131.33 2klx s PRO 53 Ca -0.11 1.89 -0.30 0.00 0.04 0.00 0.00 61.00 62.53 2klx s PRO 53 Cb -0.03 -2.70 0.10 0.00 0.04 0.00 0.00 34.50 31.92 2klx s PRO 53 CO 0.03 -0.34 1.34 1.14 0.04 0.00 0.00 177.00 179.20 2klx s GLN 54 N -2.28 0.20 -0.15 4.56 1.03 0.14 -4.84 119.66 118.32 2klx s GLN 54 Ca 0.57 -0.13 -0.05 0.00 0.04 0.00 0.00 55.36 55.79 2klx s GLN 54 Cb -0.32 0.06 -0.03 0.00 0.03 0.00 0.00 33.01 32.74 2klx s GLN 54 CO 0.40 -0.09 0.01 0.42 -2.54 0.00 0.00 175.29 173.49 2klx s ILE 55 N -2.04 4.33 -0.14 3.63 1.09 -1.26 -0.89 121.20 125.91 2klx s ILE 55 Ca 0.28 -0.21 -0.06 0.00 -1.10 0.00 0.00 60.65 59.56 2klx s ILE 55 Cb 0.01 -2.90 -0.04 0.00 -1.06 0.00 0.00 42.46 38.46 2klx s ILE 55 CO -0.02 0.50 0.08 0.12 -0.10 0.00 0.00 174.94 175.52 2klx s PHE 56 N 0.12 3.36 -0.32 3.97 2.19 0.12 -1.19 117.98 126.24 2klx s PHE 56 Ca 0.02 0.28 0.02 0.00 0.33 0.00 0.00 56.93 57.58 2klx s PHE 56 Cb -0.13 -1.97 0.09 0.00 -1.31 0.00 0.00 43.02 39.71 2klx s PHE 56 CO 0.02 0.44 0.04 0.42 1.83 0.00 0.00 175.22 177.97 2klx s ILE 57 N -0.40 1.86 0.00 3.12 -1.09 0.11 -1.07 121.20 123.72 2klx s ILE 57 Ca 0.10 -1.96 0.00 0.00 -2.23 0.00 0.00 60.65 56.56 2klx s ILE 57 Cb -0.12 -2.32 0.00 0.00 -1.58 0.00 0.00 42.46 38.44 2klx s ILE 57 CO 0.02 -0.53 0.00 0.61 -1.23 0.00 0.00 174.94 173.80 2klx n GLY 58 N 4.45 0.64 1.79 6.18 0.00 0.89 -0.14 105.19 119.00 2klx n GLY 58 Ca -0.00 0.68 -0.20 0.00 0.00 0.00 0.00 46.02 46.50 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 6.68 4.67 -3.77 1.61 8.00 -1.26 -4.92 116.55 127.56 2klx n ASP 59 Ca 0.00 -3.78 -0.13 0.00 0.71 0.00 0.00 54.79 51.59 2klx n ASP 59 Cb 0.00 -0.54 -0.09 0.00 -0.02 0.00 0.00 41.12 40.47 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 -3.54 -0.21 -0.24 1.24 5.04 0.80 -5.10 117.35 115.34 2klx s TYR 60 Ca 0.51 0.38 -0.05 0.00 -2.44 0.00 0.00 57.07 55.48 2klx s TYR 60 Cb 0.43 0.09 -0.01 0.00 0.35 0.00 0.00 41.96 42.82 2klx s TYR 60 CO 0.01 -0.33 0.01 -3.38 -1.34 0.00 0.00 175.55 170.52 2klx s HIS 61 N -0.95 3.03 0.00 4.97 -3.43 -1.26 0.10 115.29 117.74 2klx s HIS 61 Ca -0.10 -0.84 0.00 0.00 -0.80 0.00 0.00 55.06 53.32 2klx s HIS 61 Cb -0.05 -2.16 0.00 0.00 -1.43 0.00 0.00 32.58 28.94 2klx s HIS 61 CO 0.03 -0.51 0.29 0.28 -2.00 0.00 0.00 174.74 172.83 2klx n VAL 62 N 4.84 0.00 0.00 -5.38 0.31 -0.33 -4.99 118.33 112.78 2klx n VAL 62 Ca -0.17 0.64 0.00 0.00 -0.01 0.00 0.00 64.34 64.80 2klx n VAL 62 Cb 0.50 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 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 1.11 3.67 3.02 2.92 0.00 -1.25 -4.95 105.19 109.72 2klx n GLY 63 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.98 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 0.42 0.27 -0.02 0.00 -1.26 -4.33 107.32 102.40 2klx s GLY 64 Ca 0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.19 2klx s GLY 64 CO 0.00 -0.51 1.78 0.00 0.00 0.00 0.00 173.10 174.36 2klx h ASP 66 N 0.73 0.00 -0.11 0.00 3.58 -2.00 -2.72 116.42 115.90 2klx h ASP 66 Ca 0.15 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.46 2klx h ASP 66 Cb 0.42 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2klx h ASP 66 CO 0.02 0.25 -0.39 0.44 -2.88 0.00 0.00 179.24 176.67 2klx h ASP 67 N 0.00 0.67 -0.00 2.28 5.19 -1.83 -1.56 116.42 121.17 2klx h ASP 67 Ca -0.00 -0.29 -0.14 0.00 -0.62 0.00 0.00 57.03 55.97 2klx h ASP 67 Cb 0.59 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.90 2klx h ASP 67 CO 0.03 0.98 -0.45 0.17 -3.12 0.00 0.00 179.24 176.85 2klx h LEU 68 N 0.52 0.58 0.15 1.55 8.10 -1.39 -0.94 115.31 123.87 2klx h LEU 68 Ca 0.05 -0.27 -0.01 0.00 0.11 0.00 0.00 57.88 57.75 2klx h LEU 68 Cb 0.91 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.96 2klx h LEU 68 CO 0.08 0.95 -0.07 1.88 -4.11 0.00 0.00 178.44 177.17 2klx h TYR 69 N 0.44 -0.19 -0.40 0.17 0.05 -1.41 -1.72 116.97 113.91 2klx h TYR 69 Ca 0.03 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.81 2klx h TYR 69 Cb 0.96 0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.74 2klx h TYR 69 CO 0.04 0.26 0.26 0.00 -1.05 0.00 0.00 178.16 177.67 2klx h ALA 70 N -0.11 0.50 -0.09 3.88 0.00 -1.34 -1.63 119.26 120.47 2klx h ALA 70 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2klx h ALA 70 Cb 0.53 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2klx h ALA 70 CO 0.03 -0.04 0.06 -0.07 0.00 0.00 0.00 179.25 179.23 2klx h LEU 71 N 0.54 0.10 -0.84 0.00 3.38 -1.25 0.36 115.31 117.59 2klx h LEU 71 Ca 0.14 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.19 2klx h LEU 71 Cb -0.06 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 2klx h LEU 71 CO -0.03 0.07 0.50 -0.08 0.09 0.00 0.00 178.44 178.99 2klx h GLU 72 N 0.12 0.85 0.00 1.13 4.81 -1.11 0.37 114.58 120.74 2klx h GLU 72 Ca 0.03 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 2klx h GLU 72 Cb -0.01 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.18 2klx h GLU 72 CO -0.01 0.56 -0.06 -0.97 -0.73 0.00 0.00 179.01 177.80 2klx h ASN 73 N 0.87 0.00 1.68 1.04 -0.73 -0.93 -2.75 115.58 114.76 2klx h ASN 73 Ca 0.39 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.49 2klx h ASN 73 Cb 0.27 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.85 2klx h ASN 73 CO -0.21 0.06 -0.30 0.11 -0.37 0.00 0.00 177.43 176.72 2klx h LYS 74 N 0.00 0.00 0.00 6.67 6.56 0.16 -3.47 116.57 126.49 2klx h LYS 74 Ca -0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2klx h LYS 74 Cb 0.93 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.59 2klx h LYS 74 CO 0.01 0.30 0.00 0.41 -2.06 0.00 0.00 179.45 178.10 2klx n GLY 75 N 1.14 0.16 0.00 3.86 0.00 -0.27 -4.99 105.19 105.09 2klx n GLY 75 Ca 0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.19 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 0.76 -0.34 1.61 4.76 0.11 -3.77 118.16 121.29 2klx n LYS 76 Ca 0.00 0.01 0.13 0.00 -2.87 0.00 0.00 58.31 55.58 2klx n LYS 76 Cb 0.00 -1.50 0.31 0.00 -1.84 0.00 0.00 35.03 32.00 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 0.00 0.70 -0.24 -0.35 6.46 -1.61 0.78 115.31 121.04 2klx h LEU 77 Ca 0.00 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.92 2klx h LEU 77 Cb 0.07 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 39.94 2klx h LEU 77 CO 0.00 0.22 -0.06 0.44 -0.62 0.00 0.00 178.44 178.42 2klx h ASP 78 N 0.69 -0.23 -0.14 1.25 3.32 -1.87 0.20 116.42 119.63 2klx h ASP 78 Ca 0.57 0.07 -0.04 0.00 0.02 0.00 0.00 57.03 57.65 2klx h ASP 78 Cb 0.92 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 2klx h ASP 78 CO -0.41 -0.08 -0.07 -1.28 -1.72 0.00 0.00 179.24 175.69 2klx h SER 79 N 0.00 0.31 -0.13 6.45 0.87 -1.42 -0.68 113.55 118.95 2klx h SER 79 Ca 0.12 -0.41 0.04 0.00 -1.23 0.00 0.00 61.79 60.31 2klx h SER 79 Cb 0.18 -0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.01 2klx h SER 79 CO -0.25 0.65 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.48 2klx h LEU 80 N -0.03 -0.46 -0.26 2.23 -0.00 -0.64 0.24 115.31 116.39 2klx h LEU 80 Ca 0.03 0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.98 2klx h LEU 80 Cb 0.53 0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 2klx h LEU 80 CO 0.02 -0.19 0.08 -0.07 -0.00 0.00 0.00 178.44 178.28 2klx h LEU 81 N -0.18 0.37 -2.36 1.67 4.07 -0.63 0.23 115.31 118.47 2klx h LEU 81 Ca 0.09 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.85 2klx h LEU 81 Cb 0.32 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.96 2klx h LEU 81 CO -0.24 0.47 -0.03 -0.61 -1.08 0.00 0.00 178.44 176.95 2klx h GLN 82 N 0.25 0.00 0.00 1.13 4.15 -0.74 0.22 115.11 120.13 2klx h GLN 82 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.50 2klx h GLN 82 Cb 0.23 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.92 2klx h GLN 82 CO -0.00 0.03 -0.25 -0.44 -1.93 0.00 0.00 178.83 176.24 2klx h ASP 83 N 0.00 0.00 -0.83 -0.69 3.32 0.00 -3.37 116.42 114.85 2klx h ASP 83 Ca -0.00 0.00 0.22 0.00 0.02 0.00 0.00 57.03 57.27 2klx h ASP 83 Cb 0.08 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 2klx h ASP 83 CO 0.00 0.48 0.58 -0.37 -1.72 0.00 0.00 179.24 178.22 2klx h VAL 84 N -0.71 0.63 0.00 -1.35 -1.51 -0.55 -3.30 116.25 109.45 2klx h VAL 84 Ca 0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2klx h VAL 84 Cb 0.25 0.48 0.00 0.00 -2.13 0.00 0.00 31.29 29.89 2klx h VAL 84 CO 0.00 0.02 0.00 1.41 -1.23 0.00 0.00 177.57 177.77