#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 -1.66 -2.60 1.61 -0.04 -1.26 -5.01 135.00 126.04 2klx n PRO -2 Ca 0.00 -0.52 -0.33 0.00 -0.04 0.00 0.00 63.50 62.61 2klx n PRO -2 Cb 0.00 -0.48 -0.05 0.00 -0.04 0.00 0.00 33.50 32.93 2klx n PRO -2 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2klx s GLY -1 N -3.07 2.37 -0.29 0.55 0.00 -1.26 -5.05 107.32 100.57 2klx s GLY -1 Ca 0.21 0.45 -0.32 0.00 0.00 0.00 0.00 44.72 45.06 2klx s GLY -1 CO 0.16 0.74 1.37 -1.35 0.00 0.00 0.00 173.10 174.03 2klx s SER 0 N -2.27 -0.02 -0.19 1.64 1.04 -1.26 -5.16 113.70 107.48 2klx s SER 0 Ca 0.64 0.02 -0.05 0.00 0.48 0.00 0.00 55.95 57.04 2klx s SER 0 Cb -0.12 0.02 0.09 0.00 0.10 0.00 0.00 66.02 66.11 2klx s SER 0 CO 0.20 -0.03 0.34 -0.04 0.98 0.00 0.00 173.24 174.69 2klx s MET 1 N -1.32 0.26 0.40 4.02 -1.94 -1.26 -4.92 119.30 114.54 2klx s MET 1 Ca 0.10 0.75 0.04 0.00 -1.71 0.00 0.00 55.69 54.87 2klx s MET 1 Cb -0.01 -0.11 -0.02 0.00 2.01 0.00 0.00 34.83 36.69 2klx s MET 1 CO -0.07 -0.39 0.15 0.15 -0.01 0.00 0.00 175.02 174.86 2klx s LYS 2 N 2.51 1.91 0.08 2.03 3.01 -1.22 -5.02 119.74 123.04 2klx s LYS 2 Ca 0.03 -2.16 0.10 0.00 -1.01 0.00 0.00 55.97 52.93 2klx s LYS 2 Cb -0.13 -0.48 -0.03 0.00 -1.01 0.00 0.00 37.83 36.17 2klx s LYS 2 CO -0.12 -0.51 -0.25 -1.83 0.51 0.00 0.00 175.35 173.16 2klx s GLU 3 N -3.67 1.69 -0.07 1.68 -1.05 -0.79 -3.94 118.70 112.55 2klx s GLU 3 Ca 0.26 -1.19 0.02 0.00 -0.15 0.00 0.00 54.97 53.91 2klx s GLU 3 Cb 0.02 -1.99 -0.03 0.00 -0.44 0.00 0.00 34.13 31.69 2klx s GLU 3 CO 0.16 0.49 -0.10 -1.50 0.95 0.00 0.00 175.26 175.26 2klx s ILE 4 N -0.95 3.37 0.07 1.83 -1.16 -1.25 -1.16 121.20 121.95 2klx s ILE 4 Ca 0.14 -0.59 0.04 0.00 -0.51 0.00 0.00 60.65 59.72 2klx s ILE 4 Cb -0.10 -2.37 -0.03 0.00 0.61 0.00 0.00 42.46 40.57 2klx s ILE 4 CO 0.05 0.58 -0.11 -0.63 -2.81 0.00 0.00 174.94 172.01 2klx s ILE 5 N -0.55 0.90 -0.19 2.00 1.01 0.23 -1.42 121.20 123.19 2klx s ILE 5 Ca 0.08 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.42 2klx s ILE 5 Cb -0.12 -0.99 0.05 0.00 0.01 0.00 0.00 42.46 41.41 2klx s ILE 5 CO 0.02 -0.34 -0.07 -1.48 0.00 0.00 0.00 174.94 173.06 2klx s LEU 6 N -1.84 2.08 -0.46 2.97 2.34 -0.42 0.14 118.68 123.48 2klx s LEU 6 Ca -0.03 -0.86 -0.18 0.00 0.06 0.00 0.00 54.13 53.13 2klx s LEU 6 Cb -0.08 -1.10 0.04 0.00 -0.56 0.00 0.00 46.19 44.49 2klx s LEU 6 CO 0.01 -0.18 0.51 -0.31 -1.06 0.00 0.00 176.35 175.32 2klx s TYR 7 N 1.49 3.14 -0.08 3.48 2.02 -0.04 -0.37 117.35 126.98 2klx s TYR 7 Ca -0.01 -0.52 -0.27 0.00 -0.37 0.00 0.00 57.07 55.89 2klx s TYR 7 Cb -0.16 -3.20 0.09 0.00 -0.40 0.00 0.00 41.96 38.29 2klx s TYR 7 CO -0.08 -0.85 1.21 0.25 -1.57 0.00 0.00 175.55 174.52 2klx n THR 8 N 5.48 0.00 -2.78 -0.71 -2.24 -0.68 -1.97 114.28 111.38 2klx n THR 8 Ca -0.08 -0.03 -0.29 0.00 -2.27 0.00 0.00 64.05 61.39 2klx n THR 8 Cb 0.46 0.46 -0.02 0.00 -2.10 0.00 0.00 70.33 69.13 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 3.67 0.00 -0.78 1.70 -1.26 -0.12 118.95 120.16 2klx s ARG 9 Ca 0.29 0.34 0.15 0.00 -0.47 0.00 0.00 55.73 56.04 2klx s ARG 9 Cb -0.00 -2.39 0.70 0.00 -0.57 0.00 0.00 34.95 32.69 2klx s ARG 9 CO -0.02 -0.10 1.42 -0.35 -1.08 0.00 0.00 175.30 175.17 2klx n PRO 10 N -1.67 0.15 -2.18 3.89 -0.04 -1.26 -3.52 135.00 130.37 2klx n PRO 10 Ca 0.01 0.18 -0.40 0.00 -0.04 0.00 0.00 63.50 63.25 2klx n PRO 10 Cb 0.54 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.34 7.44 -4.01 3.54 4.13 -1.26 -4.89 115.26 118.87 2klx n ASN 11 Ca 0.06 -3.79 -0.31 0.00 1.68 0.00 0.00 54.58 52.22 2klx n ASN 11 Cb 0.13 -1.10 -0.15 0.00 -1.54 0.00 0.00 39.78 37.12 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 4.31 0.11 0.01 0.00 -0.04 -1.26 -2.27 135.00 135.86 2klx n PRO 13 Ca 0.01 0.20 -0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2klx n PRO 13 Cb 0.42 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 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 -1.39 0.78 0.19 0.54 4.01 -1.26 -4.02 117.16 116.01 2klx n TYR 14 Ca 0.05 0.26 0.18 0.00 -0.16 0.00 0.00 57.90 58.23 2klx n TYR 14 Cb 0.14 -1.03 0.82 0.00 -0.31 0.00 0.00 39.34 38.96 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 0.63 0.30 0.00 1.57 -1.74 0.16 116.57 117.49 2klx h LYS 16 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2klx h LYS 16 Cb 0.62 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2klx h LYS 16 CO -0.00 0.41 -0.14 0.00 -0.57 0.00 0.00 179.45 179.15 2klx h ARG 17 N 0.64 -0.38 0.42 3.15 3.08 -1.57 0.24 114.38 119.95 2klx h ARG 17 Ca 0.61 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.68 2klx h ARG 17 Cb 1.11 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.24 2klx h ARG 17 CO -0.42 -0.12 -0.27 0.00 -1.07 0.00 0.00 179.97 178.09 2klx h ALA 18 N 0.00 -0.66 -0.56 0.04 0.00 -1.39 -0.25 119.26 116.44 2klx h ALA 18 Ca -0.04 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2klx h ALA 18 Cb 0.44 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2klx h ALA 18 CO 0.07 -0.89 0.38 0.07 0.00 0.00 0.00 179.25 178.87 2klx h ARG 19 N -0.66 0.45 -0.43 0.00 0.11 -0.78 -1.18 114.38 111.88 2klx h ARG 19 Ca -0.04 -0.03 -0.15 0.00 0.10 0.00 0.00 59.98 59.86 2klx h ARG 19 Cb 0.55 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.52 2klx h ARG 19 CO 0.04 0.30 -0.32 0.22 0.10 0.00 0.00 179.97 180.31 2klx h ASP 20 N 0.46 1.01 -0.24 0.08 3.58 -0.41 0.21 116.42 121.11 2klx h ASP 20 Ca 0.25 -0.43 -0.03 0.00 0.42 0.00 0.00 57.03 57.24 2klx h ASP 20 Cb 0.39 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2klx h ASP 20 CO -0.07 1.23 0.04 0.25 -2.88 0.00 0.00 179.24 177.82 2klx h LEU 21 N 0.81 0.38 -0.11 2.28 5.85 0.10 0.96 115.31 125.57 2klx h LEU 21 Ca 0.08 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 2klx h LEU 21 Cb 0.90 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 2klx h LEU 21 CO 0.08 0.54 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.61 2klx h LEU 22 N 0.21 0.22 -1.75 2.25 3.38 -1.31 -1.16 115.31 117.15 2klx h LEU 22 Ca 0.07 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 2klx h LEU 22 Cb 0.32 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2klx h LEU 22 CO 0.00 0.57 -0.14 0.44 0.09 0.00 0.00 178.44 179.40 2klx h ASP 23 N -0.13 0.00 0.10 -0.43 3.32 -0.95 -0.62 116.42 117.72 2klx h ASP 23 Ca 0.02 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.81 2klx h ASP 23 Cb 0.48 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.05 2klx h ASP 23 CO 0.01 0.14 -1.06 0.50 -1.72 0.00 0.00 179.24 177.11 2klx h LYS 24 N 0.00 0.62 -0.06 3.56 1.63 -0.65 -3.25 116.57 118.43 2klx h LYS 24 Ca -0.00 -0.70 -0.14 0.00 -0.85 0.00 0.00 60.65 58.96 2klx h LYS 24 Cb 0.26 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 2klx h LYS 24 CO 0.02 1.29 -0.58 0.87 -3.45 0.00 0.00 179.45 177.60 2klx h LYS 25 N 0.34 0.18 0.00 1.90 1.79 -0.74 -3.48 116.57 116.55 2klx h LYS 25 Ca -0.13 -0.12 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2klx h LYS 25 Cb 1.72 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.38 2klx h LYS 25 CO 0.20 0.70 0.00 0.41 -1.08 0.00 0.00 179.45 179.69 2klx n GLY 26 N 0.18 0.54 3.55 3.86 0.00 -0.29 -5.10 105.19 107.93 2klx n GLY 26 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.96 1.29 -0.36 1.61 -7.23 -0.90 -5.04 120.40 108.80 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 -2.67 0.07 0.00 0.56 0.00 0.00 36.38 34.34 2klx s VAL 27 CO 0.00 0.00 0.13 -0.54 -0.31 0.00 0.00 175.10 174.38 2klx s LYS 28 N -3.81 2.33 0.01 4.82 3.01 -1.26 -4.60 119.74 120.23 2klx s LYS 28 Ca 0.29 -1.47 -0.07 0.00 -1.01 0.00 0.00 55.97 53.71 2klx s LYS 28 Cb 0.07 -3.46 -0.05 0.00 -1.01 0.00 0.00 37.83 33.39 2klx s LYS 28 CO 0.14 -0.83 0.27 1.52 0.51 0.00 0.00 175.35 176.96 2klx s TYR 29 N 1.26 3.58 -0.27 3.18 1.13 -1.26 -4.22 117.35 120.76 2klx s TYR 29 Ca 0.01 0.57 -0.07 0.00 -1.41 0.00 0.00 57.07 56.18 2klx s TYR 29 Cb -0.21 -1.99 -0.01 0.00 -1.10 0.00 0.00 41.96 38.65 2klx s TYR 29 CO -0.01 0.61 0.06 0.99 -2.51 0.00 0.00 175.55 174.69 2klx s THR 30 N -1.30 4.03 -0.21 -3.49 2.01 -0.50 -5.01 115.64 111.17 2klx s THR 30 Ca 0.28 -0.44 -0.25 0.00 0.31 0.00 0.00 61.69 61.58 2klx s THR 30 Cb -0.13 -2.97 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2klx s THR 30 CO 0.16 0.24 0.84 -0.62 -0.69 0.00 0.00 174.62 174.55 2klx s ASP 31 N 1.55 6.90 -0.26 3.53 -1.08 -1.26 -1.30 116.67 124.75 2klx s ASP 31 Ca 0.05 1.11 -0.07 0.00 -0.52 0.00 0.00 52.55 53.12 2klx s ASP 31 Cb -0.16 -2.45 -0.02 0.00 -1.46 0.00 0.00 42.92 38.83 2klx s ASP 31 CO 0.02 -0.48 0.07 -0.63 0.52 0.00 0.00 175.17 174.67 2klx s ILE 32 N 2.59 4.19 0.42 4.11 -1.09 0.50 -4.95 121.20 126.96 2klx s ILE 32 Ca 0.37 -0.30 -0.25 0.00 -2.23 0.00 0.00 60.65 58.24 2klx s ILE 32 Cb -0.16 -2.99 -0.10 0.00 -1.58 0.00 0.00 42.46 37.63 2klx s ILE 32 CO 0.09 0.29 1.12 0.47 -1.23 0.00 0.00 174.94 175.68 2klx n ASP 33 N 4.91 1.80 0.25 3.58 9.92 -1.25 -1.68 116.55 134.08 2klx n ASP 33 Ca -0.16 1.07 0.17 0.00 -0.53 0.00 0.00 54.79 55.34 2klx n ASP 33 Cb 0.51 -1.41 0.90 0.00 -0.64 0.00 0.00 41.12 40.47 2klx n ASP 33 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2klx h ALA 34 N 1.77 1.00 -0.85 2.24 0.00 -0.85 -3.39 119.26 119.18 2klx h ALA 34 Ca -0.46 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.89 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 1.58 0.45 0.00 0.00 0.00 179.25 181.86 2klx n SER 35 N -2.69 1.55 0.12 0.00 2.88 -1.26 -4.75 113.62 109.47 2klx n SER 35 Ca -0.02 0.10 0.19 0.00 -1.33 0.00 0.00 58.87 57.81 2klx n SER 35 Cb 0.07 -1.23 0.77 0.00 -0.75 0.00 0.00 64.21 63.07 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 7.53 0.45 -1.02 2.46 1.35 -1.94 0.20 112.91 121.94 2klx h THR 36 Ca -0.19 0.00 0.29 0.00 -0.55 0.00 0.00 66.41 65.96 2klx h THR 36 Cb 1.31 0.72 -0.05 0.00 -1.73 0.00 0.00 68.15 68.40 2klx h THR 36 CO 1.17 0.00 0.72 0.28 -0.25 0.00 0.00 175.52 177.44 2klx h SER 37 N 0.00 0.10 0.00 5.36 0.02 -1.95 -0.09 113.55 117.00 2klx h SER 37 Ca 0.16 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2klx h SER 37 Cb 0.87 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 2klx h SER 37 CO -0.00 0.03 -0.91 -0.11 -1.14 0.00 0.00 176.83 174.70 2klx n LEU 38 N -4.31 1.37 -0.07 5.07 7.94 -0.34 -4.65 117.00 122.01 2klx n LEU 38 Ca 0.22 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.01 2klx n LEU 38 Cb 1.03 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.94 2klx n LEU 38 CO 0.37 0.23 0.82 -0.09 -1.11 0.00 0.00 177.39 177.61 2klx h ARG 39 N 0.00 0.37 -0.92 1.96 1.12 -0.58 -1.48 114.38 114.85 2klx h ARG 39 Ca 0.00 -0.09 0.10 0.00 -1.11 0.00 0.00 59.98 58.89 2klx h ARG 39 Cb 0.91 -0.05 -0.08 0.00 -0.01 0.00 0.00 29.97 30.74 2klx h ARG 39 CO 0.00 0.48 0.56 0.37 -3.11 0.00 0.00 179.97 178.27 2klx h GLN 40 N 0.20 0.90 -0.03 0.20 5.75 -1.20 0.18 115.11 121.10 2klx h GLN 40 Ca 0.07 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2klx h GLN 40 Cb 0.27 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 2klx h GLN 40 CO 0.00 0.59 -0.01 0.93 -2.65 0.00 0.00 178.83 177.69 2klx h GLU 41 N 0.92 0.05 0.08 1.69 4.39 -1.64 0.29 114.58 120.36 2klx h GLU 41 Ca 0.45 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 60.13 2klx h GLU 41 Cb 0.40 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 2klx h GLU 41 CO -0.25 0.45 -0.11 0.52 -1.16 0.00 0.00 179.01 178.46 2klx h MET 42 N -0.34 -0.22 -0.28 2.33 2.86 -0.76 -1.34 114.93 117.18 2klx h MET 42 Ca 0.01 0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2klx h MET 42 Cb 0.43 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2klx h MET 42 CO 0.00 -0.15 -0.04 -0.24 1.06 0.00 0.00 176.91 177.54 2klx h VAL 43 N -0.23 1.19 0.13 -2.22 3.04 -0.72 0.18 116.25 117.63 2klx h VAL 43 Ca 0.01 -0.79 -0.01 0.00 -1.01 0.00 0.00 66.70 64.91 2klx h VAL 43 Cb 0.23 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2klx h VAL 43 CO -0.05 0.26 -0.06 -0.61 -1.01 0.00 0.00 177.57 176.10 2klx h GLN 44 N 0.42 -0.17 0.00 4.17 5.75 -0.42 -1.52 115.11 123.34 2klx h GLN 44 Ca 0.09 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 2klx h GLN 44 Cb 0.35 0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.94 2klx h GLN 44 CO 0.01 -0.03 -0.00 -2.13 -2.65 0.00 0.00 178.83 174.03 2klx n ARG 45 N -5.12 0.15 0.05 1.69 0.00 -0.55 0.63 116.66 113.51 2klx n ARG 45 Ca -0.08 0.12 -0.20 0.00 -0.00 0.00 0.00 57.85 57.68 2klx n ARG 45 Cb 0.13 -1.67 -0.12 0.00 0.00 0.00 0.00 32.46 30.80 2klx n ARG 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2klx h ALA 46 N 2.73 0.03 0.00 5.13 0.00 -0.26 -3.42 119.26 123.47 2klx h ALA 46 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2klx h ALA 46 Cb 0.64 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2klx h ALA 46 CO 0.00 0.57 -0.98 0.27 0.00 0.00 0.00 179.25 179.11 2klx n ASN 47 N -3.95 2.36 0.00 0.00 6.94 -0.60 -4.93 115.26 115.07 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 0.87 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.29 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 3.26 1.39 3.74 4.83 0.00 0.21 -5.07 105.19 113.54 2klx n GLY 48 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 0.37 -0.05 1.61 3.52 -1.09 -5.00 118.95 118.31 2klx s ARG 49 Ca 0.00 -0.22 -0.07 0.00 -0.13 0.00 0.00 55.73 55.31 2klx s ARG 49 Cb 0.00 0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.52 2klx s ARG 49 CO 0.00 -0.17 0.18 0.54 -0.81 0.00 0.00 175.30 175.04 2klx s ASN 50 N -3.26 -0.13 0.00 -2.12 2.20 -1.26 -3.19 114.94 107.18 2klx s ASN 50 Ca 0.19 0.20 0.00 0.00 -0.94 0.00 0.00 52.86 52.32 2klx s ASN 50 Cb 0.03 0.33 0.00 0.00 -2.00 0.00 0.00 41.25 39.62 2klx s ASN 50 CO -0.03 -0.17 0.00 1.07 -2.94 0.00 0.00 177.10 175.03 2klx n THR 51 N 2.48 0.00 -4.21 0.54 5.66 -1.26 -5.11 114.28 112.37 2klx n THR 51 Ca -0.16 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.67 2klx n THR 51 Cb 0.58 0.00 -0.11 0.00 -1.55 0.00 0.00 70.33 69.24 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 -0.91 1.31 0.92 1.09 0.08 -1.26 -5.15 117.98 114.05 2klx s PHE 52 Ca 0.00 -0.54 -0.12 0.00 0.12 0.00 0.00 56.93 56.39 2klx s PHE 52 Cb 0.00 -0.70 0.14 0.00 -0.57 0.00 0.00 43.02 41.89 2klx s PHE 52 CO 0.00 0.10 1.09 -1.25 -0.10 0.00 0.00 175.22 175.06 2klx s PRO 53 N -2.44 1.07 -0.07 0.24 0.04 -1.26 -5.06 135.00 127.52 2klx s PRO 53 Ca 0.06 0.76 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 2klx s PRO 53 Cb -0.06 -1.79 0.11 0.00 0.04 0.00 0.00 34.50 32.79 2klx s PRO 53 CO 0.02 -2.35 1.35 1.14 0.04 0.00 0.00 177.00 177.20 2klx s GLN 54 N -4.94 0.14 -0.29 4.56 1.03 -0.83 -4.94 119.66 114.39 2klx s GLN 54 Ca 0.64 -0.09 -0.14 0.00 0.04 0.00 0.00 55.36 55.81 2klx s GLN 54 Cb -0.18 0.04 -0.03 0.00 0.03 0.00 0.00 33.01 32.86 2klx s GLN 54 CO 0.57 -0.07 0.32 0.42 -2.54 0.00 0.00 175.29 173.99 2klx s ILE 55 N -2.03 5.21 -0.03 3.63 1.09 -1.26 -0.86 121.20 126.96 2klx s ILE 55 Ca 0.29 0.31 -0.13 0.00 -1.10 0.00 0.00 60.65 60.02 2klx s ILE 55 Cb 0.01 -3.68 -0.05 0.00 -1.06 0.00 0.00 42.46 37.68 2klx s ILE 55 CO -0.03 0.12 0.34 0.12 -0.10 0.00 0.00 174.94 175.39 2klx s PHE 56 N 1.96 3.70 -0.06 3.97 2.19 0.12 -0.06 117.98 129.80 2klx s PHE 56 Ca 0.12 0.88 -0.03 0.00 0.33 0.00 0.00 56.93 58.23 2klx s PHE 56 Cb -0.16 -2.20 0.04 0.00 -1.31 0.00 0.00 43.02 39.39 2klx s PHE 56 CO 0.11 0.67 0.11 0.96 1.83 0.00 0.00 175.22 178.90 2klx s ILE 57 N -1.06 -0.18 -1.58 3.12 -4.36 -0.24 -0.60 121.20 116.29 2klx s ILE 57 Ca 0.22 0.37 -0.12 0.00 -0.26 0.00 0.00 60.65 60.86 2klx s ILE 57 Cb -0.16 -0.23 0.09 0.00 1.25 0.00 0.00 42.46 43.42 2klx s ILE 57 CO 0.11 0.16 0.72 0.61 0.24 0.00 0.00 174.94 176.77 2klx n GLY 58 N 5.21 -0.39 2.32 6.27 0.00 -0.30 0.08 105.19 118.39 2klx n GLY 58 Ca -0.06 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2klx n GLY 58 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2klx n ASP 59 N -2.80 -4.14 -3.58 1.61 2.03 -1.26 -4.98 116.55 103.44 2klx n ASP 59 Ca -0.05 -0.06 -0.26 0.00 0.52 0.00 0.00 54.79 54.94 2klx n ASP 59 Cb 0.56 -3.24 -0.16 0.00 -0.72 0.00 0.00 41.12 37.55 2klx n ASP 59 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 2klx s TYR 60 N -2.72 0.15 0.43 -0.67 6.14 0.11 -4.99 117.35 115.81 2klx s TYR 60 Ca 0.05 -0.35 -0.25 0.00 0.64 0.00 0.00 57.07 57.16 2klx s TYR 60 Cb -0.02 -0.69 -0.08 0.00 0.42 0.00 0.00 41.96 41.59 2klx s TYR 60 CO 0.06 -0.59 1.37 -3.38 0.64 0.00 0.00 175.55 173.66 2klx s HIS 61 N 2.16 2.62 -0.01 4.97 0.00 -1.26 -1.08 115.29 122.68 2klx s HIS 61 Ca 0.04 1.33 -0.01 0.00 -3.00 0.00 0.00 55.06 53.42 2klx s HIS 61 Cb -0.16 -3.80 -0.00 0.00 -4.00 0.00 0.00 32.58 24.62 2klx s HIS 61 CO -0.15 -2.54 -0.03 0.28 -1.00 0.00 0.00 174.74 171.30 2klx n VAL 62 N -0.08 0.12 0.00 -5.38 0.31 0.92 -4.90 118.33 109.32 2klx n VAL 62 Ca 0.05 0.43 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 2klx n VAL 62 Cb 0.43 -1.53 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 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 1.67 0.73 1.65 2.92 0.00 -1.26 -4.95 105.19 105.95 2klx n GLY 63 Ca -0.01 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 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 3.57 0.15 -0.02 0.00 -1.26 -4.25 105.19 103.38 2klx n GLY 64 Ca 0.00 -1.90 -0.05 0.00 0.00 0.00 0.00 46.02 44.07 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 -0.65 0.00 -0.04 0.00 3.58 -1.99 -2.27 116.42 115.06 2klx h ASP 66 Ca -0.03 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.45 2klx h ASP 66 Cb 0.26 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.25 2klx h ASP 66 CO 0.06 0.00 -0.32 0.44 -2.88 0.00 0.00 179.24 176.53 2klx h ASP 67 N 0.00 -0.98 -0.96 2.28 5.19 -1.97 0.93 116.42 120.91 2klx h ASP 67 Ca 0.13 0.13 0.18 0.00 -0.62 0.00 0.00 57.03 56.85 2klx h ASP 67 Cb 0.72 0.40 -0.09 0.00 0.18 0.00 0.00 39.33 40.54 2klx h ASP 67 CO -0.00 -0.38 0.61 0.17 -3.12 0.00 0.00 179.24 176.52 2klx h LEU 68 N -0.45 0.66 0.06 1.55 8.10 -1.48 0.13 115.31 123.88 2klx h LEU 68 Ca 0.07 0.07 -0.00 0.00 0.11 0.00 0.00 57.88 58.12 2klx h LEU 68 Cb 0.56 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 40.72 2klx h LEU 68 CO -0.29 0.27 -0.03 1.88 -4.11 0.00 0.00 178.44 176.16 2klx h TYR 69 N 0.66 -0.08 -1.01 0.17 -1.99 -1.28 -1.60 116.97 111.84 2klx h TYR 69 Ca 0.52 -0.00 0.04 0.00 2.00 0.00 0.00 58.73 61.29 2klx h TYR 69 Cb 0.94 0.03 -0.06 0.00 2.00 0.00 0.00 36.73 39.64 2klx h TYR 69 CO -0.00 0.34 0.66 0.00 -0.00 0.00 0.00 178.16 179.15 2klx h ALA 70 N 0.39 1.34 0.48 3.88 0.00 0.05 -0.51 119.26 124.88 2klx h ALA 70 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2klx h ALA 70 Cb 0.45 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2klx h ALA 70 CO 0.01 0.56 -0.23 -0.07 0.00 0.00 0.00 179.25 179.53 2klx h LEU 71 N 1.28 -0.54 -2.13 0.00 3.38 -0.76 0.33 115.31 116.87 2klx h LEU 71 Ca 0.40 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.36 2klx h LEU 71 Cb -0.00 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2klx h LEU 71 CO -0.13 -0.22 0.18 1.05 0.09 0.00 0.00 178.44 179.41 2klx h GLU 72 N -0.88 0.00 0.00 1.13 4.11 -1.12 0.18 114.58 118.00 2klx h GLU 72 Ca -0.07 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.26 2klx h GLU 72 Cb 0.58 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 2klx h GLU 72 CO 0.11 0.00 -0.95 -0.97 0.07 0.00 0.00 179.01 177.27 2klx h ASN 73 N 0.00 0.00 1.73 3.06 -0.00 -0.86 -3.25 115.58 116.25 2klx h ASN 73 Ca 0.10 0.00 -0.05 0.00 -0.00 0.00 0.00 56.30 56.35 2klx h ASN 73 Cb 0.46 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 38.77 2klx h ASN 73 CO -0.00 0.38 -0.27 0.11 -0.00 0.00 0.00 177.43 177.65 2klx h LYS 74 N 0.00 0.00 0.00 6.67 6.56 0.20 -3.47 116.57 126.54 2klx h LYS 74 Ca -0.07 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.52 2klx h LYS 74 Cb 1.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.01 2klx h LYS 74 CO 0.04 0.24 0.00 0.41 -2.06 0.00 0.00 179.45 178.08 2klx n GLY 75 N 1.16 -0.23 0.61 3.86 0.00 -0.46 -4.99 105.19 105.14 2klx n GLY 75 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 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 1.80 -0.35 1.61 4.76 0.40 -4.19 118.16 122.18 2klx n LYS 76 Ca 0.00 -1.09 0.05 0.00 -2.87 0.00 0.00 58.31 54.40 2klx n LYS 76 Cb 0.00 -1.31 0.22 0.00 -1.84 0.00 0.00 35.03 32.10 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 1.71 0.97 -0.27 -0.35 6.46 -1.67 -1.28 115.31 120.88 2klx h LEU 77 Ca 0.00 0.02 0.05 0.00 -0.12 0.00 0.00 57.88 57.84 2klx h LEU 77 Cb 0.49 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.19 2klx h LEU 77 CO 0.03 0.58 -0.06 0.44 -0.62 0.00 0.00 178.44 178.81 2klx h ASP 78 N 1.08 -0.23 -0.05 1.25 3.32 -1.90 0.22 116.42 120.09 2klx h ASP 78 Ca 0.45 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.57 2klx h ASP 78 Cb 0.31 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.02 2klx h ASP 78 CO -0.20 -0.08 0.01 -1.28 -1.72 0.00 0.00 179.24 175.97 2klx h SER 79 N 0.01 0.09 -0.11 6.45 0.87 -1.70 -0.57 113.55 118.58 2klx h SER 79 Ca 0.13 -0.25 0.04 0.00 -1.23 0.00 0.00 61.79 60.48 2klx h SER 79 Cb 0.20 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 2klx h SER 79 CO -0.27 0.32 -0.15 -0.07 -0.53 0.00 0.00 176.83 176.13 2klx h LEU 80 N -0.15 -0.46 -0.95 2.23 -0.00 -0.95 0.30 115.31 115.34 2klx h LEU 80 Ca 0.02 0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.97 2klx h LEU 80 Cb 0.27 0.22 -0.04 0.00 -0.00 0.00 0.00 40.66 41.10 2klx h LEU 80 CO 0.00 -0.19 0.51 -0.07 -0.00 0.00 0.00 178.44 178.69 2klx h LEU 81 N -0.19 1.11 -1.30 1.67 4.07 -0.56 0.15 115.31 120.26 2klx h LEU 81 Ca 0.09 -0.09 -0.04 0.00 0.08 0.00 0.00 57.88 57.92 2klx h LEU 81 Cb 0.32 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 2klx h LEU 81 CO -0.23 0.88 -0.18 -0.61 -1.08 0.00 0.00 178.44 177.23 2klx h GLN 82 N 1.26 0.00 0.18 1.13 4.15 -0.37 0.22 115.11 121.68 2klx h GLN 82 Ca 0.32 0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.40 2klx h GLN 82 Cb -0.00 0.00 0.01 0.00 0.21 0.00 0.00 27.48 27.70 2klx h GLN 82 CO -0.05 0.18 -1.69 -0.44 -1.93 0.00 0.00 178.83 174.89 2klx h ASP 83 N 0.00 0.60 0.64 -0.69 3.32 0.61 -3.23 116.42 117.66 2klx h ASP 83 Ca -0.00 -0.93 -0.23 0.00 0.02 0.00 0.00 57.03 55.89 2klx h ASP 83 Cb 0.65 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 2klx h ASP 83 CO 0.02 1.77 -1.02 -0.37 -1.72 0.00 0.00 179.24 177.91 2klx h VAL 84 N 0.05 1.52 0.00 -1.35 -1.51 -0.67 -2.11 116.25 112.18 2klx h VAL 84 Ca -0.34 -2.87 0.00 0.00 -1.23 0.00 0.00 66.70 62.26 2klx h VAL 84 Cb 2.05 2.68 0.00 0.00 -2.13 0.00 0.00 31.29 33.89 2klx h VAL 84 CO 0.17 0.84 0.00 1.41 -1.23 0.00 0.00 177.57 178.75