#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 4.25 -0.29 1.61 0.04 -1.26 -4.99 135.00 134.37 2klx s PRO -2 Ca 0.00 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.90 2klx s PRO -2 Cb 0.00 -3.64 0.15 0.00 0.04 0.00 0.00 34.50 31.05 2klx s PRO -2 CO 0.00 -0.64 1.00 0.20 0.04 0.00 0.00 177.00 177.60 2klx s GLY -1 N 2.14 0.05 -0.41 0.56 0.00 -1.26 -5.13 107.32 103.28 2klx s GLY -1 Ca 0.66 3.19 -0.13 0.00 0.00 0.00 0.00 44.72 48.44 2klx s GLY -1 CO 0.27 2.58 0.27 -0.56 0.00 0.00 0.00 173.10 175.67 2klx s SER 0 N 1.28 5.93 -0.01 1.64 0.01 -1.26 -5.05 113.70 116.24 2klx s SER 0 Ca -0.09 -1.06 -0.16 0.00 1.31 0.00 0.00 55.95 55.95 2klx s SER 0 Cb -0.04 -2.09 0.03 0.00 0.21 0.00 0.00 66.02 64.13 2klx s SER 0 CO -0.14 -0.46 0.34 -0.04 0.41 0.00 0.00 173.24 173.35 2klx s MET 1 N 1.60 0.73 0.36 12.44 -1.94 -1.26 -5.11 119.30 126.12 2klx s MET 1 Ca 0.03 -0.20 0.05 0.00 -1.71 0.00 0.00 55.69 53.86 2klx s MET 1 Cb -0.20 0.32 -0.03 0.00 2.01 0.00 0.00 34.83 36.93 2klx s MET 1 CO 0.08 -0.21 0.18 0.15 -0.01 0.00 0.00 175.02 175.21 2klx s LYS 2 N -1.52 1.82 0.03 2.03 3.01 -1.05 -5.10 119.74 118.96 2klx s LYS 2 Ca -0.12 -2.08 0.03 0.00 -1.01 0.00 0.00 55.97 52.79 2klx s LYS 2 Cb -0.04 -0.21 -0.02 0.00 -1.01 0.00 0.00 37.83 36.55 2klx s LYS 2 CO 0.04 -0.53 -0.09 -1.83 0.51 0.00 0.00 175.35 173.44 2klx s GLU 3 N -3.64 0.60 -0.11 1.68 -1.05 -1.20 -4.40 118.70 110.58 2klx s GLU 3 Ca 0.31 -0.63 -0.04 0.00 -0.15 0.00 0.00 54.97 54.46 2klx s GLU 3 Cb 0.03 -0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 33.20 2klx s GLU 3 CO 0.19 0.11 0.03 -1.50 0.95 0.00 0.00 175.26 175.04 2klx s ILE 4 N -0.97 4.56 -0.03 1.83 -1.16 -1.26 -0.95 121.20 123.22 2klx s ILE 4 Ca -0.04 -0.15 0.03 0.00 -0.51 0.00 0.00 60.65 59.97 2klx s ILE 4 Cb -0.08 -2.95 0.01 0.00 0.61 0.00 0.00 42.46 40.05 2klx s ILE 4 CO 0.01 0.58 -0.10 -0.63 -2.81 0.00 0.00 174.94 171.99 2klx s ILE 5 N -0.69 0.89 -0.20 2.00 1.01 -0.26 -1.19 121.20 122.76 2klx s ILE 5 Ca 0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 2klx s ILE 5 Cb -0.12 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.56 2klx s ILE 5 CO 0.02 0.28 -0.10 -1.48 0.00 0.00 0.00 174.94 173.66 2klx s LEU 6 N 0.30 2.63 -0.45 2.97 0.05 -0.45 0.34 118.68 124.07 2klx s LEU 6 Ca -0.05 -0.47 -0.17 0.00 0.05 0.00 0.00 54.13 53.49 2klx s LEU 6 Cb -0.10 -1.64 0.04 0.00 -2.05 0.00 0.00 46.19 42.44 2klx s LEU 6 CO 0.01 0.00 0.44 -0.31 -0.55 0.00 0.00 176.35 175.94 2klx s TYR 7 N 1.32 3.18 -0.08 3.48 2.02 -0.38 -0.72 117.35 126.17 2klx s TYR 7 Ca 0.04 -0.62 -0.26 0.00 -0.37 0.00 0.00 57.07 55.86 2klx s TYR 7 Cb -0.14 -3.06 0.08 0.00 -0.40 0.00 0.00 41.96 38.45 2klx s TYR 7 CO -0.06 -0.78 1.17 0.25 -1.57 0.00 0.00 175.55 174.56 2klx n THR 8 N 5.35 0.00 -2.62 -0.71 -2.24 -0.64 -2.65 114.28 110.77 2klx n THR 8 Ca -0.09 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 2klx n THR 8 Cb 0.46 0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 69.11 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 -2.00 3.62 0.00 -0.78 1.70 -1.26 -1.72 118.95 118.50 2klx s ARG 9 Ca 0.28 0.33 0.15 0.00 -0.47 0.00 0.00 55.73 56.02 2klx s ARG 9 Cb -0.00 -2.35 0.73 0.00 -0.57 0.00 0.00 34.95 32.76 2klx s ARG 9 CO -0.02 -0.19 1.41 -0.35 -1.08 0.00 0.00 175.30 175.06 2klx n PRO 10 N -2.03 0.19 -3.03 3.89 -0.04 -1.26 -3.48 135.00 129.24 2klx n PRO 10 Ca 0.02 0.16 -0.27 0.00 -0.04 0.00 0.00 63.50 63.37 2klx n PRO 10 Cb 0.55 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.31 4.20 -4.09 3.54 4.13 -1.26 -5.01 115.26 115.46 2klx n ASN 11 Ca 0.07 -3.62 -0.33 0.00 1.68 0.00 0.00 54.58 52.38 2klx n ASN 11 Cb 0.12 -0.58 -0.15 0.00 -1.54 0.00 0.00 39.78 37.64 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 4.46 0.14 -0.08 0.00 -0.04 -1.26 -2.82 135.00 135.40 2klx n PRO 13 Ca -0.13 0.18 -0.07 0.00 -0.04 0.00 0.00 63.50 63.44 2klx n PRO 13 Cb 0.42 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.36 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 0.49 0.21 0.54 4.01 -1.26 -4.32 117.16 115.47 2klx n TYR 14 Ca 0.06 0.21 0.18 0.00 -0.16 0.00 0.00 57.90 58.19 2klx n TYR 14 Cb 0.13 -0.65 0.79 0.00 -0.31 0.00 0.00 39.34 39.30 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 0.14 -0.39 0.00 3.64 -1.71 0.32 116.57 118.57 2klx h LYS 16 Ca 0.10 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 2klx h LYS 16 Cb 0.84 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2klx h LYS 16 CO -0.00 0.09 -0.05 0.00 -2.27 0.00 0.00 179.45 177.22 2klx h ARG 17 N 0.14 0.73 0.32 1.90 3.08 -1.45 -0.57 114.38 118.52 2klx h ARG 17 Ca 0.58 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 2klx h ARG 17 Cb 1.98 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.98 2klx h ARG 17 CO -0.13 0.84 -0.15 0.00 -1.07 0.00 0.00 179.97 179.46 2klx h ALA 18 N 0.86 -0.43 -0.33 0.04 0.00 -0.59 -1.43 119.26 117.38 2klx h ALA 18 Ca 0.11 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2klx h ALA 18 Cb 0.55 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2klx h ALA 18 CO 0.03 -0.56 0.22 0.07 0.00 0.00 0.00 179.25 179.01 2klx h ARG 19 N -0.79 0.26 -0.20 0.00 -0.00 -1.32 -1.47 114.38 110.85 2klx h ARG 19 Ca -0.04 -0.02 -0.11 0.00 -0.00 0.00 0.00 59.98 59.81 2klx h ARG 19 Cb 0.51 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.97 30.42 2klx h ARG 19 CO 0.07 0.17 -0.30 0.22 -0.00 0.00 0.00 179.97 180.13 2klx h ASP 20 N 0.26 0.62 -0.05 0.08 3.58 -1.02 -1.12 116.42 118.78 2klx h ASP 20 Ca 0.14 -0.52 -0.00 0.00 0.42 0.00 0.00 57.03 57.07 2klx h ASP 20 Cb 0.23 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.11 2klx h ASP 20 CO -0.03 1.01 0.02 0.25 -2.88 0.00 0.00 179.24 177.62 2klx h LEU 21 N 0.24 0.06 0.53 2.28 5.85 -0.50 -0.51 115.31 123.27 2klx h LEU 21 Ca 0.02 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2klx h LEU 21 Cb 0.88 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 41.90 2klx h LEU 21 CO 0.07 0.16 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.00 2klx h LEU 22 N -0.04 -0.61 -1.19 2.25 3.38 -1.35 0.23 115.31 117.98 2klx h LEU 22 Ca 0.02 -0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.14 2klx h LEU 22 Cb 0.11 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.93 2klx h LEU 22 CO -0.00 -0.34 0.61 -0.78 0.09 0.00 0.00 178.44 178.02 2klx h ASP 23 N -0.86 0.67 1.23 -0.43 3.58 -1.21 0.29 116.42 119.68 2klx h ASP 23 Ca -0.07 0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.33 2klx h ASP 23 Cb 0.60 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 2klx h ASP 23 CO 0.12 0.26 -0.55 0.11 -2.88 0.00 0.00 179.24 176.30 2klx h LYS 24 N 0.66 0.00 -0.07 0.28 1.57 -0.87 -3.20 116.57 114.94 2klx h LYS 24 Ca 0.53 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 59.18 2klx h LYS 24 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 2klx h LYS 24 CO -0.29 0.55 -0.56 -0.22 -0.57 0.00 0.00 179.45 178.36 2klx h LYS 25 N 0.00 0.22 0.00 3.15 1.63 0.30 -3.47 116.57 118.39 2klx h LYS 25 Ca -0.01 -0.14 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 2klx h LYS 25 Cb 1.31 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 2klx h LYS 25 CO 0.07 0.72 0.00 0.41 -3.45 0.00 0.00 179.45 177.20 2klx n GLY 26 N 0.15 1.55 3.65 5.01 0.00 -0.49 -5.08 105.19 109.97 2klx n GLY 26 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 1.71 -0.29 1.61 -7.23 -1.16 -5.04 120.40 108.01 2klx s VAL 27 Ca 0.00 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.10 2klx s VAL 27 Cb 0.00 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.19 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 -3.76 3.22 -0.02 4.82 -0.14 -1.26 -4.55 119.74 118.04 2klx s LYS 28 Ca 0.27 -0.77 0.02 0.00 -1.36 0.00 0.00 55.97 54.13 2klx s LYS 28 Cb 0.08 -3.37 -0.03 0.00 -1.68 0.00 0.00 37.83 32.83 2klx s LYS 28 CO 0.14 -0.39 -0.06 1.52 -0.76 0.00 0.00 175.35 175.80 2klx s TYR 29 N 1.53 2.94 -0.32 3.18 -0.85 -1.26 -3.98 117.35 118.58 2klx s TYR 29 Ca 0.04 0.00 -0.12 0.00 -0.52 0.00 0.00 57.07 56.47 2klx s TYR 29 Cb -0.17 -1.65 -0.02 0.00 0.38 0.00 0.00 41.96 40.50 2klx s TYR 29 CO 0.03 0.38 0.20 0.99 -1.52 0.00 0.00 175.55 175.63 2klx s THR 30 N -0.95 5.05 -0.41 -3.49 2.01 -0.34 -5.00 115.64 112.52 2klx s THR 30 Ca 0.16 -0.24 -0.26 0.00 0.31 0.00 0.00 61.69 61.66 2klx s THR 30 Cb -0.11 -3.57 0.02 0.00 0.01 0.00 0.00 72.50 68.85 2klx s THR 30 CO 0.06 0.05 0.93 -0.62 -0.69 0.00 0.00 174.62 174.34 2klx s ASP 31 N 1.69 6.60 -0.30 3.53 2.15 -1.26 -1.34 116.67 127.73 2klx s ASP 31 Ca 0.06 0.39 -0.13 0.00 0.43 0.00 0.00 52.55 53.29 2klx s ASP 31 Cb -0.17 -2.46 -0.03 0.00 -0.30 0.00 0.00 42.92 39.96 2klx s ASP 31 CO 0.09 -0.94 0.29 -0.63 -0.17 0.00 0.00 175.17 173.80 2klx s ILE 32 N 3.61 5.24 0.41 4.11 -1.09 0.10 -4.99 121.20 128.59 2klx s ILE 32 Ca 0.38 0.19 -0.25 0.00 -2.23 0.00 0.00 60.65 58.74 2klx s ILE 32 Cb -0.11 -3.67 -0.10 0.00 -1.58 0.00 0.00 42.46 36.99 2klx s ILE 32 CO 0.22 0.11 1.11 0.47 -1.23 0.00 0.00 174.94 175.62 2klx n ASP 33 N 5.22 1.75 0.19 3.58 8.00 -1.25 -1.61 116.55 132.43 2klx n ASP 33 Ca -0.11 1.07 0.13 0.00 0.71 0.00 0.00 54.79 56.59 2klx n ASP 33 Cb 0.51 -1.40 0.66 0.00 -0.02 0.00 0.00 41.12 40.86 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 1.77 1.00 -0.88 2.24 0.00 -1.69 -3.39 119.26 118.32 2klx h ALA 34 Ca -0.45 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 53.91 2klx h ALA 34 Cb 1.32 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2klx h ALA 34 CO 0.58 0.00 1.60 0.45 0.00 0.00 0.00 179.25 181.89 2klx n SER 35 N -2.42 1.55 0.11 0.00 2.88 -1.26 -4.75 113.62 109.73 2klx n SER 35 Ca -0.01 0.02 0.20 0.00 -1.33 0.00 0.00 58.87 57.75 2klx n SER 35 Cb 0.10 -1.25 0.76 0.00 -0.75 0.00 0.00 64.21 63.07 2klx n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2klx h THR 36 N 7.60 0.41 -1.05 2.46 1.03 -1.94 0.28 112.91 121.70 2klx h THR 36 Ca -0.18 0.00 0.29 0.00 -0.01 0.00 0.00 66.41 66.51 2klx h THR 36 Cb 1.30 0.69 -0.05 0.00 -1.07 0.00 0.00 68.15 69.02 2klx h THR 36 CO 1.19 0.00 0.73 -1.28 -0.01 0.00 0.00 175.52 176.15 2klx h SER 37 N 0.00 0.12 0.00 0.00 0.87 -1.95 -1.08 113.55 111.51 2klx h SER 37 Ca 0.17 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2klx h SER 37 Cb 0.95 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 2klx h SER 37 CO -0.00 0.03 -0.77 0.18 -0.53 0.00 0.00 176.83 175.74 2klx n LEU 38 N -4.32 1.26 -0.05 2.23 7.99 -0.30 -4.68 117.00 119.13 2klx n LEU 38 Ca 0.23 0.00 0.03 0.00 -0.01 0.00 0.00 56.01 56.26 2klx n LEU 38 Cb 1.04 0.00 0.38 0.00 -0.11 0.00 0.00 43.42 44.73 2klx n LEU 38 CO 0.36 0.21 1.17 -0.09 -1.51 0.00 0.00 177.39 177.53 2klx h ARG 39 N 0.00 0.64 -0.64 3.23 2.43 -0.48 -1.03 114.38 118.54 2klx h ARG 39 Ca 0.00 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.04 2klx h ARG 39 Cb 0.77 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 2klx h ARG 39 CO 0.00 0.44 0.05 0.37 -1.51 0.00 0.00 179.97 179.32 2klx h GLN 40 N 0.66 1.09 -0.22 0.20 4.15 -1.39 0.26 115.11 119.86 2klx h GLN 40 Ca 0.18 -0.32 -0.17 0.00 0.77 0.00 0.00 58.65 59.11 2klx h GLN 40 Cb -0.06 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.52 2klx h GLN 40 CO -0.04 1.03 -0.55 0.93 -1.93 0.00 0.00 178.83 178.28 2klx h GLU 41 N 1.00 0.66 0.02 1.69 4.39 -1.56 -1.31 114.58 119.46 2klx h GLU 41 Ca 0.19 -0.41 -0.00 0.00 0.34 0.00 0.00 59.36 59.47 2klx h GLU 41 Cb 0.51 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2klx h GLU 41 CO 0.02 1.03 -0.01 0.52 -1.16 0.00 0.00 179.01 179.41 2klx h MET 42 N 0.50 -0.02 -0.80 2.33 2.86 -1.05 -0.22 114.93 118.53 2klx h MET 42 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2klx h MET 42 Cb 1.11 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.73 2klx h MET 42 CO 0.11 0.61 0.48 -0.24 1.06 0.00 0.00 176.91 178.93 2klx h VAL 43 N -0.68 1.22 -0.01 -2.22 3.04 -0.56 0.22 116.25 117.26 2klx h VAL 43 Ca -0.00 -0.50 -0.20 0.00 -1.01 0.00 0.00 66.70 64.99 2klx h VAL 43 Cb 0.64 0.10 -0.01 0.00 -2.01 0.00 0.00 31.29 30.01 2klx h VAL 43 CO 0.00 0.24 -0.86 0.06 -1.01 0.00 0.00 177.57 176.00 2klx h GLN 44 N 1.11 0.29 0.00 4.17 3.07 -1.29 0.06 115.11 122.52 2klx h GLN 44 Ca 0.29 -0.29 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2klx h GLN 44 Cb -0.04 0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.60 2klx h GLN 44 CO -0.05 0.99 0.00 -0.09 0.09 0.00 0.00 178.83 179.76 2klx h ARG 45 N 0.17 0.00 0.05 0.06 2.43 -0.50 0.48 114.38 117.07 2klx h ARG 45 Ca -0.05 0.00 -0.38 0.00 -0.81 0.00 0.00 59.98 58.74 2klx h ARG 45 Cb 1.47 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.97 2klx h ARG 45 CO 0.14 0.00 -2.23 0.00 -1.51 0.00 0.00 179.97 176.37 2klx n ALA 46 N -1.92 1.16 -0.09 2.80 0.00 0.71 -4.65 120.51 118.52 2klx n ALA 46 Ca 0.05 -0.86 -0.23 0.00 0.00 0.00 0.00 53.44 52.39 2klx n ALA 46 Cb 0.45 -0.35 -0.12 0.00 0.00 0.00 0.00 19.45 19.43 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 -3.47 1.98 0.00 0.00 5.15 0.00 -4.94 115.26 113.98 2klx n ASN 47 Ca -0.40 0.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.79 2klx n ASN 47 Cb 0.99 -0.77 0.00 0.00 -0.53 0.00 0.00 39.78 39.47 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 1.73 0.15 3.59 8.20 0.00 0.16 -5.04 105.19 113.97 2klx n GLY 48 Ca -0.41 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.55 2klx n GLY 48 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2klx s ARG 49 N 0.00 0.39 0.61 1.61 1.70 -0.62 -4.87 118.95 117.76 2klx s ARG 49 Ca 0.00 -0.05 -0.19 0.00 -0.47 0.00 0.00 55.73 55.03 2klx s ARG 49 Cb 0.00 0.18 -0.03 0.00 -0.57 0.00 0.00 34.95 34.53 2klx s ARG 49 CO 0.00 -0.15 1.23 0.54 -1.08 0.00 0.00 175.30 175.84 2klx s ASN 50 N -1.71 5.04 0.03 -2.89 4.22 -1.26 -3.64 114.94 114.72 2klx s ASN 50 Ca 0.06 2.46 -0.22 0.00 -2.14 0.00 0.00 52.86 53.02 2klx s ASN 50 Cb -0.01 -2.60 0.07 0.00 1.28 0.00 0.00 41.25 39.99 2klx s ASN 50 CO -0.04 -1.70 1.01 0.35 -2.04 0.00 0.00 177.10 174.68 2klx n THR 51 N -1.66 0.00 -0.94 0.54 -2.24 -1.26 -4.96 114.28 103.76 2klx n THR 51 Ca 0.14 -0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.38 2klx n THR 51 Cb 0.49 0.52 0.14 0.00 -2.10 0.00 0.00 70.33 69.38 2klx n THR 51 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 2klx n PHE 52 N -0.72 1.13 -1.49 4.78 1.16 -1.26 -4.98 117.46 116.08 2klx n PHE 52 Ca 0.02 0.40 -0.32 0.00 -1.87 0.00 0.00 57.45 55.69 2klx n PHE 52 Cb 0.48 -2.07 0.07 0.00 -1.61 0.00 0.00 39.48 36.36 2klx n PHE 52 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 2klx s PRO 53 N -4.32 2.51 -0.00 3.97 0.04 -1.26 -5.05 135.00 130.89 2klx s PRO 53 Ca 0.71 1.27 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 2klx s PRO 53 Cb -0.27 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.43 2klx s PRO 53 CO 0.53 -1.46 1.15 0.00 0.04 0.00 0.00 177.00 177.26 2klx n GLN 54 N -3.01 0.21 -3.26 4.56 -0.00 -1.09 -4.96 117.38 109.82 2klx n GLN 54 Ca 0.10 -0.77 -0.42 0.00 -0.00 0.00 0.00 57.00 55.91 2klx n GLN 54 Cb 0.53 1.23 -0.08 0.00 -0.00 0.00 0.00 30.24 31.92 2klx n GLN 54 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2klx s ILE 55 N -2.03 5.02 0.03 -0.39 1.09 -1.18 -1.25 121.20 122.49 2klx s ILE 55 Ca 0.27 0.08 -0.10 0.00 -1.10 0.00 0.00 60.65 59.80 2klx s ILE 55 Cb -0.01 -4.01 -0.05 0.00 -1.06 0.00 0.00 42.46 37.33 2klx s ILE 55 CO -0.00 -0.32 0.35 0.12 -0.10 0.00 0.00 174.94 174.99 2klx s PHE 56 N 2.35 3.61 -0.05 3.97 2.19 0.15 -0.56 117.98 129.64 2klx s PHE 56 Ca 0.17 0.75 -0.02 0.00 0.33 0.00 0.00 56.93 58.16 2klx s PHE 56 Cb -0.16 -2.12 0.03 0.00 -1.31 0.00 0.00 43.02 39.46 2klx s PHE 56 CO 0.14 0.58 0.05 0.96 1.83 0.00 0.00 175.22 178.78 2klx s ILE 57 N -1.29 0.02 0.00 3.12 -5.25 0.65 -1.10 121.20 117.35 2klx s ILE 57 Ca 0.29 0.34 0.00 0.00 -0.99 0.00 0.00 60.65 60.28 2klx s ILE 57 Cb -0.14 -0.26 0.00 0.00 2.95 0.00 0.00 42.46 45.01 2klx s ILE 57 CO 0.16 0.19 0.00 0.61 -1.79 0.00 0.00 174.94 174.11 2klx n GLY 58 N 5.26 0.68 2.22 6.27 0.00 -0.12 -0.46 105.19 119.04 2klx n GLY 58 Ca -0.04 0.69 -0.19 0.00 0.00 0.00 0.00 46.02 46.47 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 6.47 4.19 -3.66 1.61 8.00 -1.26 -4.89 116.55 127.01 2klx n ASP 59 Ca 0.00 -3.39 -0.15 0.00 0.71 0.00 0.00 54.79 51.96 2klx n ASP 59 Cb 0.00 -0.38 -0.08 0.00 -0.02 0.00 0.00 41.12 40.64 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 -3.63 -0.43 -0.36 1.24 5.04 0.39 -5.12 117.35 114.49 2klx s TYR 60 Ca 0.46 0.82 -0.10 0.00 -2.44 0.00 0.00 57.07 55.81 2klx s TYR 60 Cb 0.39 0.23 0.02 0.00 0.35 0.00 0.00 41.96 42.95 2klx s TYR 60 CO 0.01 -0.44 0.17 -3.38 -1.34 0.00 0.00 175.55 170.58 2klx s HIS 61 N -0.91 3.23 0.00 4.97 -3.43 -1.26 -0.25 115.29 117.64 2klx s HIS 61 Ca -0.10 -1.01 0.00 0.00 -0.80 0.00 0.00 55.06 53.16 2klx s HIS 61 Cb -0.03 -2.39 0.00 0.00 -1.43 0.00 0.00 32.58 28.73 2klx s HIS 61 CO 0.05 -0.64 0.62 0.28 -2.00 0.00 0.00 174.74 173.05 2klx n VAL 62 N 4.95 0.00 0.00 -5.38 0.31 0.27 -5.00 118.33 113.49 2klx n VAL 62 Ca -0.12 1.07 0.00 0.00 -0.01 0.00 0.00 64.34 65.28 2klx n VAL 62 Cb 0.46 -1.98 0.00 0.00 -0.91 0.00 0.00 33.84 31.41 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 -0.18 1.27 3.75 2.92 0.00 -1.23 -4.93 105.19 106.79 2klx n GLY 63 Ca 0.00 -0.31 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 1.55 0.30 -0.02 0.00 -1.26 -3.10 107.32 104.78 2klx s GLY 64 Ca 0.00 -1.54 -0.01 0.00 0.00 0.00 0.00 44.72 43.17 2klx s GLY 64 CO 0.00 -1.59 1.89 0.00 0.00 0.00 0.00 173.10 173.40 2klx h ASP 66 N 0.87 0.00 0.18 0.00 3.04 -1.95 -3.27 116.42 115.29 2klx h ASP 66 Ca 0.21 0.00 0.01 0.00 -3.24 0.00 0.00 57.03 54.01 2klx h ASP 66 Cb 0.13 0.00 -0.03 0.00 -1.04 0.00 0.00 39.33 38.39 2klx h ASP 66 CO -0.02 0.49 -0.31 -0.78 -2.04 0.00 0.00 179.24 176.57 2klx h ASP 67 N 0.00 -0.88 -0.78 4.15 3.58 -1.77 0.35 116.42 121.07 2klx h ASP 67 Ca -0.00 0.09 0.06 0.00 0.42 0.00 0.00 57.03 57.60 2klx h ASP 67 Cb 1.11 0.32 -0.05 0.00 1.72 0.00 0.00 39.33 42.43 2klx h ASP 67 CO 0.06 -0.41 0.51 0.17 -2.88 0.00 0.00 179.24 176.69 2klx h LEU 68 N -0.57 0.76 0.12 2.28 8.10 -1.62 -1.23 115.31 123.15 2klx h LEU 68 Ca 0.02 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.00 2klx h LEU 68 Cb 0.58 -0.16 0.00 0.00 -0.44 0.00 0.00 40.66 40.63 2klx h LEU 68 CO -0.14 0.50 -0.06 1.88 -4.11 0.00 0.00 178.44 176.50 2klx h TYR 69 N 0.87 -0.15 -0.70 0.17 -1.99 -1.42 -0.73 116.97 113.02 2klx h TYR 69 Ca 0.33 -0.00 0.03 0.00 2.00 0.00 0.00 58.73 61.09 2klx h TYR 69 Cb 0.20 0.05 -0.04 0.00 2.00 0.00 0.00 36.73 38.94 2klx h TYR 69 CO -0.00 0.06 0.44 0.00 -0.00 0.00 0.00 178.16 178.66 2klx h ALA 70 N 0.52 0.92 0.58 3.88 0.00 -0.52 -0.47 119.26 124.17 2klx h ALA 70 Ca -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2klx h ALA 70 Cb 0.28 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.85 2klx h ALA 70 CO 0.03 0.21 -0.28 -0.07 0.00 0.00 0.00 179.25 179.13 2klx h LEU 71 N 0.85 -0.66 -2.21 0.00 3.38 -1.14 0.36 115.31 115.89 2klx h LEU 71 Ca 0.29 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.29 2klx h LEU 71 Cb 0.03 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2klx h LEU 71 CO -0.11 -0.41 0.17 1.05 0.09 0.00 0.00 178.44 179.22 2klx h GLU 72 N -0.88 0.00 0.00 1.13 4.11 -0.98 0.19 114.58 118.15 2klx h GLU 72 Ca -0.08 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.23 2klx h GLU 72 Cb 0.64 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 2klx h GLU 72 CO 0.13 0.00 -1.00 -0.97 0.07 0.00 0.00 179.01 177.24 2klx h ASN 73 N 0.00 0.00 1.73 3.06 -1.24 -0.65 -3.27 115.58 115.21 2klx h ASN 73 Ca 0.08 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.04 2klx h ASN 73 Cb 0.41 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.46 2klx h ASN 73 CO -0.00 0.48 -0.27 0.11 -1.29 0.00 0.00 177.43 176.46 2klx h LYS 74 N 0.00 0.00 0.00 6.67 1.79 0.21 -3.47 116.57 121.77 2klx h LYS 74 Ca -0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 2klx h LYS 74 Cb 1.44 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.09 2klx h LYS 74 CO 0.05 0.22 0.00 0.41 -1.08 0.00 0.00 179.45 179.04 2klx n GLY 75 N 1.16 -0.31 0.39 3.86 0.00 -0.46 -4.99 105.19 104.84 2klx n GLY 75 Ca 0.03 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.10 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 1.49 -0.26 1.61 4.76 0.43 -4.07 118.16 122.12 2klx n LYS 76 Ca 0.00 -0.76 0.05 0.00 -2.87 0.00 0.00 58.31 54.73 2klx n LYS 76 Cb 0.00 -1.21 0.27 0.00 -1.84 0.00 0.00 35.03 32.26 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 1.29 0.83 -0.67 -0.35 6.46 -1.68 -1.34 115.31 119.85 2klx h LEU 77 Ca 0.00 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 57.87 2klx h LEU 77 Cb 0.29 -0.17 -0.08 0.00 -0.73 0.00 0.00 40.66 39.97 2klx h LEU 77 CO 0.00 0.54 0.28 -2.24 -0.62 0.00 0.00 178.44 176.40 2klx h ASP 78 N 0.95 0.31 -0.01 1.25 3.04 -1.90 0.30 116.42 120.35 2klx h ASP 78 Ca 0.36 0.08 -0.01 0.00 -3.24 0.00 0.00 57.03 54.22 2klx h ASP 78 Cb 0.21 0.04 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 2klx h ASP 78 CO -0.13 0.17 -0.05 -1.28 -2.04 0.00 0.00 179.24 175.91 2klx h SER 79 N 0.47 0.06 -0.96 4.15 0.87 -1.66 -0.71 113.55 115.77 2klx h SER 79 Ca 0.34 -0.65 0.11 0.00 -1.23 0.00 0.00 61.79 60.37 2klx h SER 79 Cb 0.42 -0.02 -0.08 0.00 -0.44 0.00 0.00 62.40 62.28 2klx h SER 79 CO -0.31 0.70 0.59 -0.07 -0.53 0.00 0.00 176.83 177.21 2klx h LEU 80 N -0.57 0.87 -0.05 2.23 -0.00 -0.92 0.12 115.31 116.99 2klx h LEU 80 Ca -0.00 0.05 -0.11 0.00 -0.00 0.00 0.00 57.88 57.81 2klx h LEU 80 Cb 0.69 -0.12 0.01 0.00 -0.00 0.00 0.00 40.66 41.24 2klx h LEU 80 CO 0.01 0.46 -0.42 -0.07 -0.00 0.00 0.00 178.44 178.43 2klx h LEU 81 N 0.95 0.45 -2.38 1.67 -0.00 -0.45 -1.11 115.31 114.44 2klx h LEU 81 Ca 0.48 -0.69 -0.01 0.00 -0.00 0.00 0.00 57.88 57.66 2klx h LEU 81 Cb 0.46 -0.13 -0.00 0.00 -0.00 0.00 0.00 40.66 40.99 2klx h LEU 81 CO -0.26 1.07 -0.03 1.56 -0.00 0.00 0.00 178.44 180.78 2klx h GLN 82 N -0.14 0.00 0.00 1.13 1.08 -0.52 0.79 115.11 117.45 2klx h GLN 82 Ca -0.04 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 2klx h GLN 82 Cb 1.10 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.52 2klx h GLN 82 CO 0.08 0.03 -0.34 -0.44 -0.95 0.00 0.00 178.83 177.21 2klx h ASP 83 N 0.00 0.00 -0.20 1.46 3.32 -0.75 -3.37 116.42 116.88 2klx h ASP 83 Ca -0.00 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.09 2klx h ASP 83 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2klx h ASP 83 CO 0.00 0.68 0.22 -0.37 -1.72 0.00 0.00 179.24 178.05 2klx h VAL 84 N -1.00 0.49 0.00 -1.35 -1.51 -1.14 -3.17 116.25 108.56 2klx h VAL 84 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.46 2klx h VAL 84 Cb 0.35 0.83 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 2klx h VAL 84 CO -0.00 0.00 0.00 1.57 -1.23 0.00 0.00 177.57 177.91