#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 -1.96 0.00 1.61 -0.04 -1.26 -5.06 135.00 128.29 2klx n PRO -2 Ca 0.00 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 2klx n PRO -2 Cb 0.00 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.72 -1.38 3.93 0.55 0.00 -1.26 -5.19 105.19 101.13 2klx n GLY -1 Ca 0.07 0.53 -0.02 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 0.02 -0.10 1.61 0.01 -1.26 -5.16 113.70 108.82 2klx s SER 0 Ca 0.00 -0.57 -0.00 0.00 1.31 0.00 0.00 55.95 56.69 2klx s SER 0 Cb 0.00 0.41 0.02 0.00 0.21 0.00 0.00 66.02 66.66 2klx s SER 0 CO 0.00 -0.81 -0.07 -0.04 0.41 0.00 0.00 173.24 172.73 2klx s MET 1 N -2.04 1.42 0.34 12.44 -1.94 -1.26 -4.98 119.30 123.28 2klx s MET 1 Ca 0.25 -0.23 0.06 0.00 -1.71 0.00 0.00 55.69 54.06 2klx s MET 1 Cb -0.02 -1.46 -0.03 0.00 2.01 0.00 0.00 34.83 35.32 2klx s MET 1 CO 0.04 -0.22 0.22 0.15 -0.01 0.00 0.00 175.02 175.20 2klx s LYS 2 N 1.56 1.77 0.02 2.03 -0.14 -0.45 -5.07 119.74 119.46 2klx s LYS 2 Ca 0.02 -2.04 0.01 0.00 -1.36 0.00 0.00 55.97 52.60 2klx s LYS 2 Cb -0.13 0.05 -0.02 0.00 -1.68 0.00 0.00 37.83 36.05 2klx s LYS 2 CO -0.06 -0.58 -0.05 -1.83 -0.76 0.00 0.00 175.35 172.07 2klx s GLU 3 N -3.58 0.36 -0.10 1.68 -1.05 -0.39 -4.22 118.70 111.41 2klx s GLU 3 Ca 0.36 -0.51 -0.02 0.00 -0.15 0.00 0.00 54.97 54.65 2klx s GLU 3 Cb 0.03 -0.14 -0.03 0.00 -0.44 0.00 0.00 34.13 33.55 2klx s GLU 3 CO 0.23 0.02 -0.02 -1.50 0.95 0.00 0.00 175.26 174.94 2klx s ILE 4 N -1.01 4.10 0.02 1.83 -1.16 -1.24 -1.04 121.20 122.69 2klx s ILE 4 Ca -0.09 -0.32 0.03 0.00 -0.51 0.00 0.00 60.65 59.76 2klx s ILE 4 Cb -0.07 -2.73 -0.01 0.00 0.61 0.00 0.00 42.46 40.25 2klx s ILE 4 CO -0.00 0.57 -0.08 -0.63 -2.81 0.00 0.00 174.94 171.99 2klx s ILE 5 N -0.53 0.63 -0.20 2.00 1.01 -0.16 -1.40 121.20 122.56 2klx s ILE 5 Ca 0.09 -0.66 0.01 0.00 0.00 0.00 0.00 60.65 60.08 2klx s ILE 5 Cb -0.12 -0.59 0.02 0.00 0.01 0.00 0.00 42.46 41.78 2klx s ILE 5 CO 0.02 -0.05 -0.17 -1.48 0.00 0.00 0.00 174.94 173.27 2klx s LEU 6 N -0.78 2.44 -0.43 2.97 2.34 -0.15 0.23 118.68 125.30 2klx s LEU 6 Ca -0.02 -0.74 -0.15 0.00 0.06 0.00 0.00 54.13 53.28 2klx s LEU 6 Cb -0.06 -1.52 0.04 0.00 -0.56 0.00 0.00 46.19 44.09 2klx s LEU 6 CO 0.00 -0.04 0.34 -0.31 -1.06 0.00 0.00 176.35 175.28 2klx s TYR 7 N 1.28 3.24 -0.03 3.48 2.02 -0.19 -0.21 117.35 126.93 2klx s TYR 7 Ca 0.03 -0.72 -0.28 0.00 -0.37 0.00 0.00 57.07 55.72 2klx s TYR 7 Cb -0.14 -2.81 0.09 0.00 -0.40 0.00 0.00 41.96 38.70 2klx s TYR 7 CO -0.11 -0.67 1.28 0.25 -1.57 0.00 0.00 175.55 174.73 2klx n THR 8 N 5.17 0.00 -2.98 -0.71 -2.24 -0.63 -1.79 114.28 111.11 2klx n THR 8 Ca -0.12 -0.13 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 2klx n THR 8 Cb 0.46 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.21 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 3.70 1.04 -0.78 1.70 -1.26 -0.58 118.95 120.76 2klx s ARG 9 Ca 0.30 0.28 -0.14 0.00 -0.47 0.00 0.00 55.73 55.71 2klx s ARG 9 Cb -0.01 -2.47 0.21 0.00 -0.57 0.00 0.00 34.95 32.12 2klx s ARG 9 CO -0.01 0.02 1.10 -1.25 -1.08 0.00 0.00 175.30 174.07 2klx s PRO 10 N -3.89 0.06 -1.22 3.89 0.04 -1.26 -3.71 135.00 128.92 2klx s PRO 10 Ca 0.48 0.40 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2klx s PRO 10 Cb -0.10 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2klx s PRO 10 CO 0.33 -2.95 0.00 0.09 0.04 0.00 0.00 177.00 174.51 2klx n ASN 11 N -4.31 -5.22 -4.62 6.66 3.02 -1.26 -4.93 115.26 104.60 2klx n ASN 11 Ca 0.06 0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 54.47 2klx n ASN 11 Cb 0.58 -3.72 -0.02 0.00 -0.61 0.00 0.00 39.78 36.00 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 7.22 0.19 0.11 0.00 -0.04 -1.26 -2.68 135.00 138.55 2klx n PRO 13 Ca 0.12 0.42 -0.18 0.00 -0.04 0.00 0.00 63.50 63.82 2klx n PRO 13 Cb 0.48 -1.86 -0.14 0.00 -0.04 0.00 0.00 33.50 31.93 2klx n PRO 13 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2klx h TYR 14 N 0.00 0.62 0.00 0.54 0.05 -1.99 -3.24 116.97 112.95 2klx h TYR 14 Ca 0.00 -0.45 -0.00 0.00 0.05 0.00 0.00 58.73 58.33 2klx h TYR 14 Cb 0.35 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 2klx h TYR 14 CO 0.00 1.36 -0.02 0.00 -1.05 0.00 0.00 178.16 178.45 2klx h LYS 16 N 0.00 0.59 0.25 0.00 6.56 -1.66 0.23 116.57 122.54 2klx h LYS 16 Ca -0.00 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.54 2klx h LYS 16 Cb 0.05 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 31.58 2klx h LYS 16 CO 0.00 0.39 -0.12 0.00 -2.06 0.00 0.00 179.45 177.66 2klx h ARG 17 N 0.60 -0.33 0.36 3.15 -0.00 -1.65 0.51 114.38 117.02 2klx h ARG 17 Ca 0.58 0.02 -0.01 0.00 -0.50 0.00 0.00 59.98 60.08 2klx h ARG 17 Cb 1.01 0.07 -0.01 0.00 0.00 0.00 0.00 29.97 31.05 2klx h ARG 17 CO -0.44 -0.06 -0.25 0.00 0.00 0.00 0.00 179.97 179.22 2klx h ALA 18 N 0.11 -0.59 -0.49 0.04 0.00 -1.40 -1.17 119.26 115.77 2klx h ALA 18 Ca -0.03 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.81 2klx h ALA 18 Cb 0.42 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 2klx h ALA 18 CO 0.06 -0.85 0.33 0.07 0.00 0.00 0.00 179.25 178.86 2klx h ARG 19 N -0.59 0.48 -0.10 0.00 0.11 -0.64 -1.48 114.38 112.16 2klx h ARG 19 Ca -0.03 -0.03 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 2klx h ARG 19 Cb 0.50 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 31.47 2klx h ARG 19 CO 0.02 0.32 0.02 0.22 0.10 0.00 0.00 179.97 180.65 2klx h ASP 20 N 0.50 0.15 0.00 0.08 3.58 -0.35 0.21 116.42 120.59 2klx h ASP 20 Ca 0.21 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.42 2klx h ASP 20 Cb 0.20 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.21 2klx h ASP 20 CO -0.05 0.34 -0.00 0.25 -2.88 0.00 0.00 179.24 176.90 2klx h LEU 21 N -0.05 -0.00 0.63 2.28 5.85 -0.66 0.47 115.31 123.83 2klx h LEU 21 Ca 0.03 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2klx h LEU 21 Cb 0.25 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.29 2klx h LEU 21 CO 0.00 0.09 -0.30 -0.07 -0.34 0.00 0.00 178.44 177.82 2klx h LEU 22 N -0.10 -0.72 -1.91 2.25 3.38 -1.28 -0.22 115.31 116.71 2klx h LEU 22 Ca -0.00 -0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.11 2klx h LEU 22 Cb 0.10 0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 2klx h LEU 22 CO 0.00 -0.44 0.40 -0.78 0.09 0.00 0.00 178.44 177.71 2klx h ASP 23 N -0.96 0.09 0.26 -0.43 3.58 -0.60 0.65 116.42 119.00 2klx h ASP 23 Ca -0.09 0.00 -0.22 0.00 0.42 0.00 0.00 57.03 57.15 2klx h ASP 23 Cb 0.69 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.73 2klx h ASP 23 CO 0.14 0.05 -0.88 0.50 -2.88 0.00 0.00 179.24 176.17 2klx h LYS 24 N 0.09 0.46 -0.05 0.28 1.63 -0.56 -3.20 116.57 115.21 2klx h LYS 24 Ca 0.27 -0.45 -0.13 0.00 -0.85 0.00 0.00 60.65 59.49 2klx h LYS 24 Cb 0.96 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 2klx h LYS 24 CO -0.03 1.09 -0.58 0.87 -3.45 0.00 0.00 179.45 177.36 2klx h LYS 25 N 0.28 0.16 0.00 1.90 1.79 0.92 -3.48 116.57 118.13 2klx h LYS 25 Ca -0.07 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.30 2klx h LYS 25 Cb 1.50 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 2klx h LYS 25 CO 0.15 0.69 0.00 0.41 -1.08 0.00 0.00 179.45 179.63 2klx n GLY 26 N 0.18 0.78 3.52 3.86 0.00 -0.31 -5.10 105.19 108.12 2klx n GLY 26 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.43 1.67 -0.37 1.61 -7.23 -1.14 -5.05 120.40 108.45 2klx s VAL 27 Ca 0.00 -2.03 -0.08 0.00 -1.81 0.00 0.00 61.98 58.06 2klx s VAL 27 Cb 0.00 -2.82 0.05 0.00 0.56 0.00 0.00 36.38 34.18 2klx s VAL 27 CO 0.00 -0.06 0.17 -0.54 -0.31 0.00 0.00 175.10 174.36 2klx s LYS 28 N -3.77 2.62 0.04 4.82 3.01 -1.26 -4.55 119.74 120.65 2klx s LYS 28 Ca 0.35 -1.28 -0.07 0.00 -1.01 0.00 0.00 55.97 53.96 2klx s LYS 28 Cb 0.08 -3.61 -0.05 0.00 -1.01 0.00 0.00 37.83 33.24 2klx s LYS 28 CO 0.16 -0.78 0.30 1.52 0.51 0.00 0.00 175.35 177.06 2klx s TYR 29 N 1.43 3.57 -0.23 3.18 -0.85 -1.26 -4.30 117.35 118.88 2klx s TYR 29 Ca 0.01 0.60 -0.06 0.00 -0.52 0.00 0.00 57.07 57.10 2klx s TYR 29 Cb -0.21 -2.01 -0.02 0.00 0.38 0.00 0.00 41.96 40.10 2klx s TYR 29 CO 0.03 0.58 0.03 0.99 -1.52 0.00 0.00 175.55 175.65 2klx s THR 30 N -1.36 4.02 -0.10 -3.49 2.01 -0.49 -5.01 115.64 111.22 2klx s THR 30 Ca 0.30 -0.28 -0.23 0.00 0.31 0.00 0.00 61.69 61.79 2klx s THR 30 Cb -0.13 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 2klx s THR 30 CO 0.18 0.38 0.70 1.51 -0.69 0.00 0.00 174.62 176.70 2klx s ASP 31 N 1.41 6.92 -0.20 3.53 1.47 -1.26 -0.98 116.67 127.56 2klx s ASP 31 Ca 0.05 1.12 -0.02 0.00 1.18 0.00 0.00 52.55 54.87 2klx s ASP 31 Cb -0.15 -2.40 -0.00 0.00 -0.34 0.00 0.00 42.92 40.03 2klx s ASP 31 CO 0.02 -0.18 -0.08 -0.63 0.68 0.00 0.00 175.17 174.97 2klx s ILE 32 N 1.17 3.08 0.39 2.11 -1.09 0.70 -4.94 121.20 122.61 2klx s ILE 32 Ca 0.36 -0.60 -0.26 0.00 -2.23 0.00 0.00 60.65 57.92 2klx s ILE 32 Cb -0.17 -2.37 -0.11 0.00 -1.58 0.00 0.00 42.46 38.23 2klx s ILE 32 CO 0.16 0.46 1.15 -0.90 -1.23 0.00 0.00 174.94 174.58 2klx n ASP 33 N 4.60 1.98 0.28 3.58 5.68 -1.25 -1.60 116.55 129.81 2klx n ASP 33 Ca -0.19 1.11 0.19 0.00 -0.50 0.00 0.00 54.79 55.40 2klx n ASP 33 Cb 0.51 -1.42 0.97 0.00 -1.14 0.00 0.00 41.12 40.04 2klx n ASP 33 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2klx h ALA 34 N 1.97 1.00 -1.04 2.12 0.00 -1.19 -3.38 119.26 118.74 2klx h ALA 34 Ca -0.45 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.81 2klx h ALA 34 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2klx h ALA 34 CO 0.59 0.00 1.46 0.43 0.00 0.00 0.00 179.25 181.73 2klx n SER 35 N -2.81 2.01 0.13 0.00 7.64 -1.26 -4.74 113.62 114.59 2klx n SER 35 Ca -0.02 0.33 0.19 0.00 1.01 0.00 0.00 58.87 60.38 2klx n SER 35 Cb 0.08 -1.26 0.77 0.00 -1.01 0.00 0.00 64.21 62.79 2klx n SER 35 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 2klx h THR 36 N 7.20 0.42 -0.93 0.44 1.35 -1.94 0.26 112.91 119.71 2klx h THR 36 Ca -0.25 0.00 0.26 0.00 -0.55 0.00 0.00 66.41 65.87 2klx h THR 36 Cb 1.32 0.71 -0.04 0.00 -1.73 0.00 0.00 68.15 68.41 2klx h THR 36 CO 1.05 0.00 0.66 0.28 -0.25 0.00 0.00 175.52 177.27 2klx h SER 37 N 0.00 0.06 0.00 5.36 0.02 -1.94 0.13 113.55 117.18 2klx h SER 37 Ca 0.16 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2klx h SER 37 Cb 0.88 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 2klx h SER 37 CO -0.00 0.02 -0.86 0.18 -1.14 0.00 0.00 176.83 175.03 2klx n LEU 38 N -4.30 0.00 -0.06 5.07 4.32 -0.26 -4.56 117.00 117.20 2klx n LEU 38 Ca 0.20 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 56.05 2klx n LEU 38 Cb 0.96 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.75 2klx n LEU 38 CO 0.38 0.00 0.45 -0.09 -1.22 0.00 0.00 177.39 176.91 2klx h ARG 39 N 0.00 0.81 -0.21 3.23 1.12 -0.42 -0.48 114.38 118.44 2klx h ARG 39 Ca 0.00 -0.51 -0.04 0.00 -1.11 0.00 0.00 59.98 58.32 2klx h ARG 39 Cb 0.81 0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.82 2klx h ARG 39 CO 0.00 1.14 -0.03 0.37 -3.11 0.00 0.00 179.97 178.34 2klx h GLN 40 N 0.63 0.39 -0.06 0.20 4.15 -0.93 0.24 115.11 119.73 2klx h GLN 40 Ca 0.02 -0.14 -0.12 0.00 0.77 0.00 0.00 58.65 59.18 2klx h GLN 40 Cb 1.13 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 2klx h GLN 40 CO 0.12 0.61 -0.49 1.05 -1.93 0.00 0.00 178.83 178.19 2klx h GLU 41 N 0.13 0.15 0.04 1.69 -0.00 -1.65 -0.96 114.58 113.97 2klx h GLU 41 Ca 0.06 -0.08 -0.00 0.00 -0.00 0.00 0.00 59.36 59.33 2klx h GLU 41 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.21 2klx h GLU 41 CO 0.02 0.61 -0.02 0.52 -0.00 0.00 0.00 179.01 180.14 2klx h MET 42 N 0.12 -0.05 -0.51 1.06 2.86 -0.96 -0.77 114.93 116.68 2klx h MET 42 Ca 0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2klx h MET 42 Cb 0.91 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 2klx h MET 42 CO 0.07 0.62 0.18 -0.24 1.06 0.00 0.00 176.91 178.60 2klx h VAL 43 N -0.82 1.20 -0.01 -2.22 3.04 -0.54 0.25 116.25 117.15 2klx h VAL 43 Ca -0.00 -0.66 -0.23 0.00 -1.01 0.00 0.00 66.70 64.80 2klx h VAL 43 Cb 0.69 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2klx h VAL 43 CO 0.01 0.25 -0.93 0.06 -1.01 0.00 0.00 177.57 175.95 2klx h GLN 44 N 0.74 0.46 0.00 4.17 3.07 -1.25 -0.09 115.11 122.21 2klx h GLN 44 Ca 0.17 -0.48 0.00 0.00 0.09 0.00 0.00 58.65 58.43 2klx h GLN 44 Cb 0.19 0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.89 2klx h GLN 44 CO -0.01 1.13 -0.06 -2.13 0.09 0.00 0.00 178.83 177.85 2klx n ARG 45 N -3.77 0.19 -0.09 0.06 3.00 -0.29 0.47 116.66 116.22 2klx n ARG 45 Ca -0.07 0.15 -0.20 0.00 -0.00 0.00 0.00 57.85 57.72 2klx n ARG 45 Cb 0.83 -1.71 -0.12 0.00 0.00 0.00 0.00 32.46 31.45 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klx n ALA 46 N -1.71 1.23 -0.13 5.13 0.00 0.86 -4.66 120.51 121.23 2klx n ALA 46 Ca 0.06 -0.93 -0.18 0.00 0.00 0.00 0.00 53.44 52.38 2klx n ALA 46 Cb 0.41 -0.27 -0.12 0.00 0.00 0.00 0.00 19.45 19.46 2klx n ALA 46 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2klx n ASN 47 N -3.45 1.98 0.00 0.00 0.23 -0.05 -4.92 115.26 109.05 2klx n ASN 47 Ca -0.42 -0.13 0.00 0.00 -0.53 0.00 0.00 54.58 53.50 2klx n ASN 47 Cb 0.99 -0.43 0.00 0.00 -2.08 0.00 0.00 39.78 38.26 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 2.24 3.87 3.15 4.83 0.00 0.18 -5.04 105.19 114.42 2klx n GLY 48 Ca -0.46 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.01 1.61 6.06 -1.15 -4.63 118.95 121.11 2klx s ARG 49 Ca 0.00 0.31 -0.21 0.00 -2.50 0.00 0.00 55.73 53.33 2klx s ARG 49 Cb 0.00 0.15 0.04 0.00 0.06 0.00 0.00 34.95 35.20 2klx s ARG 49 CO 0.00 -0.51 0.45 1.21 -2.50 0.00 0.00 175.30 173.96 2klx s ASN 50 N 2.92 -0.37 -0.32 -2.12 3.84 -1.26 -4.93 114.94 112.71 2klx s ASN 50 Ca 0.20 0.27 0.18 0.00 0.21 0.00 0.00 52.86 53.72 2klx s ASN 50 Cb -0.06 0.41 0.46 0.00 -0.55 0.00 0.00 41.25 41.52 2klx s ASN 50 CO -0.23 -0.55 1.00 1.07 -2.79 0.00 0.00 177.10 175.60 2klx n THR 51 N 0.97 0.97 -3.71 -5.21 5.66 -1.26 -3.99 114.28 107.71 2klx n THR 51 Ca -0.20 -2.93 -0.13 0.00 -3.05 0.00 0.00 64.05 57.74 2klx n THR 51 Cb 0.57 0.79 -0.08 0.00 -1.55 0.00 0.00 70.33 70.06 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 -3.01 -0.24 0.52 1.09 0.08 -1.26 -5.03 117.98 110.12 2klx s PHE 52 Ca 0.27 0.31 -0.21 0.00 0.12 0.00 0.00 56.93 57.41 2klx s PHE 52 Cb 0.44 0.16 -0.06 0.00 -0.57 0.00 0.00 43.02 42.98 2klx s PHE 52 CO 0.02 -0.47 1.14 -1.25 -0.10 0.00 0.00 175.22 174.56 2klx s PRO 53 N -1.75 3.49 -0.07 0.24 0.04 -1.26 -5.02 135.00 130.67 2klx s PRO 53 Ca -0.10 1.67 -0.31 0.00 0.04 0.00 0.00 61.00 62.30 2klx s PRO 53 Cb -0.03 -2.14 0.11 0.00 0.04 0.00 0.00 34.50 32.48 2klx s PRO 53 CO 0.02 -0.75 1.36 1.14 0.04 0.00 0.00 177.00 178.81 2klx s GLN 54 N -3.09 0.14 -0.30 4.56 1.03 -0.74 -4.94 119.66 116.32 2klx s GLN 54 Ca 0.70 -0.09 -0.11 0.00 0.04 0.00 0.00 55.36 55.90 2klx s GLN 54 Cb -0.25 0.04 -0.03 0.00 0.03 0.00 0.00 33.01 32.79 2klx s GLN 54 CO 0.29 -0.06 0.20 0.42 -2.54 0.00 0.00 175.29 173.60 2klx s ILE 55 N -2.03 5.18 -0.06 3.63 1.09 -1.24 -1.03 121.20 126.74 2klx s ILE 55 Ca 0.28 -0.03 -0.12 0.00 -1.10 0.00 0.00 60.65 59.68 2klx s ILE 55 Cb 0.02 -3.54 -0.05 0.00 -1.06 0.00 0.00 42.46 37.82 2klx s ILE 55 CO -0.03 0.15 0.31 0.12 -0.10 0.00 0.00 174.94 175.39 2klx s PHE 56 N 1.73 3.66 -0.11 3.97 2.19 0.14 0.08 117.98 129.63 2klx s PHE 56 Ca 0.06 0.80 -0.04 0.00 0.33 0.00 0.00 56.93 58.08 2klx s PHE 56 Cb -0.16 -2.18 0.06 0.00 -1.31 0.00 0.00 43.02 39.42 2klx s PHE 56 CO 0.10 0.63 0.23 0.96 1.83 0.00 0.00 175.22 178.96 2klx s ILE 57 N -0.88 -0.30 -1.52 3.12 -4.36 -0.29 -0.99 121.20 115.99 2klx s ILE 57 Ca 0.20 0.28 -0.10 0.00 -0.26 0.00 0.00 60.65 60.77 2klx s ILE 57 Cb -0.15 -0.38 0.07 0.00 1.25 0.00 0.00 42.46 43.25 2klx s ILE 57 CO 0.09 0.12 0.75 0.61 0.24 0.00 0.00 174.94 176.75 2klx n GLY 58 N 5.12 -0.38 2.32 6.27 0.00 -0.21 -0.02 105.19 118.29 2klx n GLY 58 Ca -0.10 0.16 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.86 -4.67 -3.67 1.61 8.00 -1.26 -4.94 116.55 108.76 2klx n ASP 59 Ca -0.09 0.06 -0.27 0.00 0.71 0.00 0.00 54.79 55.20 2klx n ASP 59 Cb 0.58 -3.76 -0.17 0.00 -0.02 0.00 0.00 41.12 37.75 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 -2.73 0.60 0.40 1.24 5.04 0.97 -4.86 117.35 118.01 2klx s TYR 60 Ca 0.00 -0.59 -0.26 0.00 -2.44 0.00 0.00 57.07 53.78 2klx s TYR 60 Cb 0.00 -0.86 -0.09 0.00 0.35 0.00 0.00 41.96 41.36 2klx s TYR 60 CO 0.00 -0.57 1.27 -3.38 -1.34 0.00 0.00 175.55 171.54 2klx s HIS 61 N 2.00 2.89 -0.01 4.97 -3.43 -1.26 -1.14 115.29 119.31 2klx s HIS 61 Ca 0.01 1.45 -0.01 0.00 -0.80 0.00 0.00 55.06 55.70 2klx s HIS 61 Cb -0.17 -3.61 -0.00 0.00 -1.43 0.00 0.00 32.58 27.38 2klx s HIS 61 CO -0.09 -1.90 -0.02 0.28 -2.00 0.00 0.00 174.74 171.01 2klx n VAL 62 N 0.15 0.10 0.00 -5.38 0.31 0.11 -4.92 118.33 108.70 2klx n VAL 62 Ca 0.04 0.35 0.00 0.00 -0.01 0.00 0.00 64.34 64.72 2klx n VAL 62 Cb 0.44 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 31.95 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 2.04 0.46 3.96 2.92 0.00 -1.26 -4.92 105.19 108.38 2klx n GLY 63 Ca -0.01 -0.08 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 2.02 -0.03 -0.02 0.00 -1.26 -3.68 107.32 104.34 2klx s GLY 64 Ca 0.00 -1.78 -0.13 0.00 0.00 0.00 0.00 44.72 42.81 2klx s GLY 64 CO 0.00 -1.61 0.57 0.00 0.00 0.00 0.00 173.10 172.06 2klx h ASP 66 N -1.02 0.00 -0.54 0.00 3.04 -1.97 -1.58 116.42 114.35 2klx h ASP 66 Ca -0.05 0.00 0.10 0.00 -3.24 0.00 0.00 57.03 53.84 2klx h ASP 66 Cb 0.36 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.57 2klx h ASP 66 CO 0.08 0.00 0.07 0.44 -2.04 0.00 0.00 179.24 177.79 2klx h ASP 67 N 0.00 -0.09 -0.84 4.15 5.19 -1.97 0.98 116.42 123.83 2klx h ASP 67 Ca 0.15 0.11 0.01 0.00 -0.62 0.00 0.00 57.03 56.69 2klx h ASP 67 Cb 0.86 0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.49 2klx h ASP 67 CO -0.00 -0.02 0.56 0.17 -3.12 0.00 0.00 179.24 176.82 2klx h LEU 68 N 0.19 0.96 0.22 1.55 8.10 -1.40 -1.04 115.31 123.89 2klx h LEU 68 Ca 0.28 -0.02 -0.01 0.00 0.11 0.00 0.00 57.88 58.23 2klx h LEU 68 Cb 0.41 -0.24 0.00 0.00 -0.44 0.00 0.00 40.66 40.39 2klx h LEU 68 CO -0.39 0.68 -0.11 1.88 -4.11 0.00 0.00 178.44 176.39 2klx h TYR 69 N 1.12 -0.28 -0.54 0.17 -1.99 -1.16 -1.60 116.97 112.70 2klx h TYR 69 Ca 0.31 -0.01 0.09 0.00 2.00 0.00 0.00 58.73 61.12 2klx h TYR 69 Cb -0.10 0.09 -0.07 0.00 2.00 0.00 0.00 36.73 38.65 2klx h TYR 69 CO -0.00 0.08 0.16 0.00 -0.00 0.00 0.00 178.16 178.39 2klx h ALA 70 N -0.03 0.65 0.01 3.88 0.00 -0.71 -0.82 119.26 122.24 2klx h ALA 70 Ca -0.03 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2klx h ALA 70 Cb 0.48 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2klx h ALA 70 CO 0.05 -0.25 -0.00 -0.07 0.00 0.00 0.00 179.25 178.97 2klx h LEU 71 N 0.31 -0.01 -1.92 0.00 3.38 -1.21 0.25 115.31 116.12 2klx h LEU 71 Ca 0.27 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.29 2klx h LEU 71 Cb 0.34 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2klx h LEU 71 CO -0.31 0.04 0.27 1.05 0.09 0.00 0.00 178.44 179.58 2klx h GLU 72 N -0.05 0.10 0.00 1.13 4.11 -0.74 0.37 114.58 119.49 2klx h GLU 72 Ca -0.00 -0.01 -0.14 0.00 0.07 0.00 0.00 59.36 59.28 2klx h GLU 72 Cb 0.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2klx h GLU 72 CO 0.00 0.06 -1.00 -0.97 0.07 0.00 0.00 179.01 177.18 2klx h ASN 73 N 0.10 0.00 1.61 3.06 -0.73 -0.55 -3.26 115.58 115.82 2klx h ASN 73 Ca 0.18 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.31 2klx h ASN 73 Cb 0.58 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.17 2klx h ASN 73 CO -0.02 0.57 -0.18 0.11 -0.37 0.00 0.00 177.43 177.54 2klx h LYS 74 N 0.00 0.00 0.00 6.67 1.79 0.15 -3.46 116.57 121.71 2klx h LYS 74 Ca -0.09 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2klx h LYS 74 Cb 1.51 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.16 2klx h LYS 74 CO 0.06 0.18 0.00 0.41 -1.08 0.00 0.00 179.45 179.02 2klx n GLY 75 N 0.92 -0.09 0.35 3.86 0.00 -0.28 -4.99 105.19 104.95 2klx n GLY 75 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 1.45 -0.34 1.61 4.01 0.11 -4.06 118.16 120.94 2klx n LYS 76 Ca 0.00 -0.68 0.05 0.00 -0.51 0.00 0.00 58.31 57.17 2klx n LYS 76 Cb 0.00 -1.26 0.22 0.00 -0.51 0.00 0.00 35.03 33.48 2klx n LYS 76 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2klx h LEU 77 N 1.24 0.95 -0.29 -0.35 6.46 -1.65 -1.43 115.31 120.24 2klx h LEU 77 Ca 0.00 0.02 0.06 0.00 -0.12 0.00 0.00 57.88 57.84 2klx h LEU 77 Cb 0.28 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 39.97 2klx h LEU 77 CO 0.00 0.58 -0.08 0.44 -0.62 0.00 0.00 178.44 178.76 2klx h ASP 78 N 1.06 -0.30 0.07 1.25 3.32 -1.90 0.31 116.42 120.23 2klx h ASP 78 Ca 0.44 0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.57 2klx h ASP 78 Cb 0.29 0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2klx h ASP 78 CO -0.19 -0.11 -0.03 -1.28 -1.72 0.00 0.00 179.24 175.91 2klx h SER 79 N -0.01 -0.08 -0.85 6.45 0.87 -1.70 -1.32 113.55 116.90 2klx h SER 79 Ca 0.14 -0.24 0.11 0.00 -1.23 0.00 0.00 61.79 60.56 2klx h SER 79 Cb 0.23 0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.13 2klx h SER 79 CO -0.31 0.20 0.49 -0.07 -0.53 0.00 0.00 176.83 176.61 2klx h LEU 80 N -0.37 0.69 -0.19 2.23 -0.00 -1.00 0.25 115.31 116.93 2klx h LEU 80 Ca -0.01 0.05 -0.02 0.00 -0.00 0.00 0.00 57.88 57.90 2klx h LEU 80 Cb 0.32 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 40.89 2klx h LEU 80 CO 0.02 0.38 0.02 -0.07 -0.00 0.00 0.00 178.44 178.78 2klx h LEU 81 N 0.80 0.30 -1.78 1.67 -0.00 -0.30 -0.08 115.31 115.92 2klx h LEU 81 Ca 0.42 -0.28 -0.01 0.00 -0.00 0.00 0.00 57.88 58.01 2klx h LEU 81 Cb 0.42 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.00 2klx h LEU 81 CO -0.27 0.50 -0.07 -0.61 -0.00 0.00 0.00 178.44 178.00 2klx h GLN 82 N 0.09 0.00 0.16 1.13 5.75 -0.52 0.21 115.11 121.94 2klx h GLN 82 Ca 0.06 0.00 -0.32 0.00 -0.15 0.00 0.00 58.65 58.24 2klx h GLN 82 Cb 0.33 0.00 0.01 0.00 1.07 0.00 0.00 27.48 28.89 2klx h GLN 82 CO 0.01 0.07 -1.54 -0.44 -2.65 0.00 0.00 178.83 174.28 2klx h ASP 83 N 0.00 0.54 1.12 -0.69 5.19 -0.16 -3.32 116.42 119.11 2klx h ASP 83 Ca -0.00 -0.69 -0.16 0.00 -0.62 0.00 0.00 57.03 55.55 2klx h ASP 83 Cb 0.42 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 2klx h ASP 83 CO 0.01 1.57 -0.91 -0.37 -3.12 0.00 0.00 179.24 176.41 2klx h VAL 84 N 0.09 1.04 -0.00 -1.35 -1.51 -0.72 -1.02 116.25 112.79 2klx h VAL 84 Ca -0.26 -2.56 0.00 0.00 -1.23 0.00 0.00 66.70 62.65 2klx h VAL 84 Cb 2.06 2.47 0.00 0.00 -2.13 0.00 0.00 31.29 33.69 2klx h VAL 84 CO 0.19 0.59 0.00 1.57 -1.23 0.00 0.00 177.57 178.70