#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9z s GLU 2 N 0.00 4.10 -0.49 2.12 -1.05 -1.26 -4.69 118.70 117.43 2k9z s GLU 2 Ca 0.00 0.98 -0.30 0.00 -0.15 0.00 0.00 54.97 55.50 2k9z s GLU 2 Cb 0.00 -2.22 0.04 0.00 -0.44 0.00 0.00 34.13 31.52 2k9z s GLU 2 CO 0.00 -0.06 0.65 0.28 0.95 0.00 0.00 175.26 177.08 2k9z n VAL 3 N -0.87 -5.33 -2.22 1.83 0.31 -1.25 -4.82 118.33 105.97 2k9z n VAL 3 Ca 0.06 0.21 -0.40 0.00 -0.01 0.00 0.00 64.34 64.20 2k9z n VAL 3 Cb 0.54 -4.26 -0.03 0.00 -0.91 0.00 0.00 33.84 29.18 2k9z n VAL 3 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2k9z s LYS 4 N -2.76 2.93 -0.35 5.55 2.20 -1.07 -4.90 119.74 121.34 2k9z s LYS 4 Ca 0.31 0.43 -0.11 0.00 -0.36 0.00 0.00 55.97 56.24 2k9z s LYS 4 Cb -0.04 -4.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.01 2k9z s LYS 4 CO 0.86 -2.39 0.21 0.42 -0.36 0.00 0.00 175.35 174.08 2k9z s ILE 5 N 7.59 4.77 0.33 5.43 1.01 -1.26 -2.29 121.20 136.78 2k9z s ILE 5 Ca 0.58 -0.60 0.04 0.00 0.00 0.00 0.00 60.65 60.66 2k9z s ILE 5 Cb -0.12 -3.56 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 2k9z s ILE 5 CO 0.21 -0.12 0.33 -1.83 0.00 0.00 0.00 174.94 173.53 2k9z s GLU 6 N 1.61 1.78 -0.55 2.79 -1.05 -0.72 -4.97 118.70 117.58 2k9z s GLU 6 Ca 0.04 -1.93 0.04 0.00 -0.15 0.00 0.00 54.97 52.97 2k9z s GLU 6 Cb -0.18 0.36 0.15 0.00 -0.44 0.00 0.00 34.13 34.02 2k9z s GLU 6 CO 0.07 -0.68 0.35 0.15 0.95 0.00 0.00 175.26 176.11 2k9z s LYS 7 N -3.36 1.84 0.48 -4.83 -0.14 -1.26 -0.94 119.74 111.54 2k9z s LYS 7 Ca 0.38 -2.67 -0.16 0.00 -1.36 0.00 0.00 55.97 52.16 2k9z s LYS 7 Cb 0.02 -2.86 -0.08 0.00 -1.68 0.00 0.00 37.83 33.23 2k9z s LYS 7 CO 0.25 -1.22 0.94 -1.25 -0.76 0.00 0.00 175.35 173.30 2k9z s PRO 8 N -0.52 3.96 0.47 -1.68 0.04 -1.26 -5.05 135.00 130.97 2k9z s PRO 8 Ca 0.22 0.89 -0.24 0.00 0.04 0.00 0.00 61.00 61.91 2k9z s PRO 8 Cb -0.14 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 2k9z s PRO 8 CO -0.09 -0.18 1.24 -2.37 0.04 0.00 0.00 177.00 175.65 2k9z n THR 9 N -1.35 2.97 0.19 1.26 5.66 -1.26 -4.93 114.28 116.82 2k9z n THR 9 Ca 0.06 -0.50 0.06 0.00 -3.05 0.00 0.00 64.05 60.62 2k9z n THR 9 Cb 0.54 -1.52 0.36 0.00 -1.55 0.00 0.00 70.33 68.16 2k9z n THR 9 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2k9z h PRO 10 N 1.73 0.00 -0.46 1.09 0.13 -2.01 -3.09 132.00 129.39 2k9z h PRO 10 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 2k9z h PRO 10 Cb 1.31 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 2k9z h PRO 10 CO 0.58 0.36 0.03 0.93 -0.23 0.00 0.00 178.00 179.67 2k9z h GLU 11 N 0.00 0.79 -0.63 0.86 5.08 -2.00 -2.61 114.58 116.07 2k9z h GLU 11 Ca -0.00 -0.24 0.10 0.00 -1.00 0.00 0.00 59.36 58.22 2k9z h GLU 11 Cb 0.84 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.94 2k9z h GLU 11 CO 0.05 0.83 0.23 -0.22 -1.00 0.00 0.00 179.01 178.90 2k9z h LYS 12 N 0.64 0.40 -0.16 2.33 1.63 -1.93 -0.60 116.57 118.88 2k9z h LYS 12 Ca 0.13 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.88 2k9z h LYS 12 Cb 0.45 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 2k9z h LYS 12 CO 0.02 0.27 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.16 2k9z h LEU 13 N 0.41 0.22 0.02 5.20 -0.00 -1.51 0.20 115.31 119.85 2k9z h LEU 13 Ca 0.32 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 58.17 2k9z h LEU 13 Cb 0.40 -0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.01 2k9z h LEU 13 CO -0.32 0.32 -0.01 0.11 -0.00 0.00 0.00 178.44 178.54 2k9z h LYS 14 N 0.23 -0.02 -0.03 1.13 1.79 -0.81 -3.27 116.57 115.60 2k9z h LYS 14 Ca 0.05 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.54 2k9z h LYS 14 Cb 0.26 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2k9z h LYS 14 CO 0.01 0.21 -0.06 0.93 -1.08 0.00 0.00 179.45 179.46 2k9z h GLU 15 N -0.25 -0.09 0.00 3.15 5.08 -0.21 -2.32 114.58 119.94 2k9z h GLU 15 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k9z h GLU 15 Cb 0.24 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2k9z h GLU 15 CO 0.00 -0.06 0.07 1.28 -1.00 0.00 0.00 179.01 179.30 2k9z n LEU 16 N -5.18 0.00 -0.53 1.33 4.77 -0.07 -4.78 117.00 112.54 2k9z n LEU 16 Ca -0.05 0.38 -0.05 0.00 -0.03 0.00 0.00 56.01 56.25 2k9z n LEU 16 Cb 0.11 -0.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 2k9z n LEU 16 CO 0.29 -0.38 -0.06 -1.20 -1.33 0.00 0.00 177.39 174.71 2k9z n SER 17 N -1.37 -2.54 0.03 -1.43 7.64 -0.87 -4.94 113.62 110.13 2k9z n SER 17 Ca 0.00 0.03 0.21 0.00 1.01 0.00 0.00 58.87 60.11 2k9z n SER 17 Cb 0.07 -1.56 0.72 0.00 -1.01 0.00 0.00 64.21 62.43 2k9z n SER 17 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 2k9z h VAL 18 N 0.00 0.61 0.00 0.44 2.07 -1.75 0.26 116.25 117.88 2k9z h VAL 18 Ca -0.12 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 2k9z h VAL 18 Cb 0.90 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 2k9z h VAL 18 CO 0.14 0.00 -0.14 1.05 0.02 0.00 0.00 177.57 178.65 2k9z h GLU 19 N 0.00 0.00 0.00 1.57 -0.00 -1.87 -2.24 114.58 112.05 2k9z h GLU 19 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.60 2k9z h GLU 19 Cb 1.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.78 2k9z h GLU 19 CO -0.00 0.14 -0.20 0.87 -0.00 0.00 0.00 179.01 179.82 2k9z h LYS 20 N 0.00 0.00 -7.33 1.06 1.57 -1.34 -3.48 116.57 107.05 2k9z h LYS 20 Ca -0.00 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.30 2k9z h LYS 20 Cb 0.25 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.71 2k9z h LYS 20 CO 0.02 0.00 0.24 -1.58 -0.57 0.00 0.00 179.45 177.56 2k9z s TRP 21 N -3.14 2.27 0.37 -1.35 0.52 -0.84 -4.99 118.94 111.78 2k9z s TRP 21 Ca 0.09 1.26 -0.27 0.00 0.02 0.00 0.00 56.10 57.19 2k9z s TRP 21 Cb 0.12 -3.17 -0.09 0.00 -1.15 0.00 0.00 33.47 29.18 2k9z s TRP 21 CO 0.64 -2.46 1.27 -1.25 0.02 0.00 0.00 176.95 175.18 2k9z s PRO 22 N -4.92 4.16 0.14 4.98 0.04 -1.25 -4.90 135.00 133.26 2k9z s PRO 22 Ca 0.64 2.11 -0.18 0.00 0.04 0.00 0.00 61.00 63.61 2k9z s PRO 22 Cb -0.18 -2.89 -0.07 0.00 0.04 0.00 0.00 34.50 31.40 2k9z s PRO 22 CO 0.57 -0.31 0.61 0.42 0.04 0.00 0.00 177.00 178.33 2k9z s ILE 23 N -1.23 4.73 -0.13 0.56 1.01 -1.26 -2.39 121.20 122.48 2k9z s ILE 23 Ca 0.53 1.11 -0.08 0.00 0.00 0.00 0.00 60.65 62.21 2k9z s ILE 23 Cb -0.37 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.31 2k9z s ILE 23 CO 0.48 0.35 0.32 0.86 0.00 0.00 0.00 174.94 176.95 2k9z s TRP 24 N -1.35 -0.42 0.43 3.97 -0.00 -1.18 -4.99 118.94 115.40 2k9z s TRP 24 Ca 0.36 0.96 0.04 0.00 -0.00 0.00 0.00 56.10 57.46 2k9z s TRP 24 Cb -0.17 0.14 -0.04 0.00 -0.00 0.00 0.00 33.47 33.39 2k9z s TRP 24 CO 0.20 -0.25 0.04 -1.21 -0.00 0.00 0.00 176.95 175.73 2k9z s GLU 25 N 0.98 1.97 0.15 5.86 8.01 -1.26 -3.14 118.70 131.27 2k9z s GLU 25 Ca -0.07 -2.19 -0.16 0.00 0.01 0.00 0.00 54.97 52.56 2k9z s GLU 25 Cb -0.07 -1.23 0.03 0.00 -4.31 0.00 0.00 34.13 28.55 2k9z s GLU 25 CO -0.07 -0.28 0.44 0.21 0.01 0.00 0.00 175.26 175.57 2k9z s LYS 26 N -3.80 1.18 0.95 1.61 2.36 -1.23 -5.03 119.74 115.78 2k9z s LYS 26 Ca 0.23 -0.77 -0.13 0.00 -2.55 0.00 0.00 55.97 52.75 2k9z s LYS 26 Cb 0.05 0.49 0.16 0.00 -1.05 0.00 0.00 37.83 37.48 2k9z s LYS 26 CO 0.12 -0.48 1.13 -1.83 1.55 0.00 0.00 175.35 175.84 2k9z s GLU 27 N -3.83 0.84 -1.38 4.03 1.03 -1.26 -4.06 118.70 114.06 2k9z s GLU 27 Ca 0.06 0.30 -0.15 0.00 0.03 0.00 0.00 54.97 55.21 2k9z s GLU 27 Cb 0.01 -1.80 0.06 0.00 -0.80 0.00 0.00 34.13 31.60 2k9z s GLU 27 CO -0.08 -2.41 2.00 1.55 -1.33 0.00 0.00 175.26 174.99 2k9z n VAL 28 N -3.91 3.71 -3.96 1.83 3.14 -1.26 -4.74 118.33 113.13 2k9z n VAL 28 Ca 0.07 -3.55 -0.01 0.00 -2.96 0.00 0.00 64.34 57.88 2k9z n VAL 28 Cb 0.59 -2.50 -0.01 0.00 -1.06 0.00 0.00 33.84 30.87 2k9z n VAL 28 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2k9z n SER 29 N 6.79 -0.06 -3.77 6.55 2.88 -1.24 -4.98 113.62 119.79 2k9z n SER 29 Ca 0.50 -1.16 -0.13 0.00 -1.33 0.00 0.00 58.87 56.75 2k9z n SER 29 Cb 0.42 0.13 -0.09 0.00 -0.75 0.00 0.00 64.21 63.92 2k9z n SER 29 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2k9z s GLU 30 N -2.09 0.64 0.00 -1.46 -1.05 -1.26 -1.02 118.70 112.45 2k9z s GLU 30 Ca 0.03 -0.20 0.00 0.00 -0.15 0.00 0.00 54.97 54.65 2k9z s GLU 30 Cb 0.00 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 2k9z s GLU 30 CO 0.02 -0.17 0.00 1.97 0.95 0.00 0.00 175.26 178.03 2k9z n PHE 31 N 1.34 -0.40 -4.30 4.83 1.16 -0.58 -5.02 117.46 114.49 2k9z n PHE 31 Ca -0.21 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.20 2k9z n PHE 31 Cb 0.56 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.33 2k9z n PHE 31 CO 0.00 0.00 0.00 0.16 -1.87 0.00 0.00 176.76 175.05 2k9z s ASP 32 N 0.57 2.03 0.13 5.98 1.47 -1.26 -0.51 116.67 125.08 2k9z s ASP 32 Ca 0.00 -1.08 0.04 0.00 1.18 0.00 0.00 52.55 52.69 2k9z s ASP 32 Cb 0.00 -0.04 -0.04 0.00 -0.34 0.00 0.00 42.92 42.50 2k9z s ASP 32 CO 0.00 -0.35 -0.10 0.86 0.68 0.00 0.00 175.17 176.26 2k9z s TRP 33 N -3.26 1.22 -0.35 2.11 -0.11 -0.76 -4.79 118.94 113.01 2k9z s TRP 33 Ca 0.22 -0.72 -0.00 0.00 1.22 0.00 0.00 56.10 56.81 2k9z s TRP 33 Cb 0.03 -0.63 0.11 0.00 -1.50 0.00 0.00 33.47 31.48 2k9z s TRP 33 CO 0.05 0.06 0.15 -0.47 -4.62 0.00 0.00 176.95 172.12 2k9z s TYR 34 N -3.03 1.58 -0.06 5.86 6.14 -1.26 -2.90 117.35 123.69 2k9z s TYR 34 Ca 0.13 -1.85 -0.30 0.00 0.64 0.00 0.00 57.07 55.69 2k9z s TYR 34 Cb 0.01 -1.62 -0.04 0.00 0.42 0.00 0.00 41.96 40.72 2k9z s TYR 34 CO 0.00 -0.84 1.37 0.71 0.64 0.00 0.00 175.55 177.43 2k9z s TYR 35 N 1.26 2.79 0.00 4.97 2.02 -0.25 -4.89 117.35 123.23 2k9z s TYR 35 Ca 0.13 0.84 0.00 0.00 -0.37 0.00 0.00 57.07 57.67 2k9z s TYR 35 Cb -0.20 -3.62 0.00 0.00 -0.40 0.00 0.00 41.96 37.74 2k9z s TYR 35 CO -0.16 -2.28 0.37 -0.40 -1.57 0.00 0.00 175.55 171.51 2k9z n ASP 36 N 5.87 0.69 -3.78 2.29 5.75 -1.26 -0.75 116.55 125.36 2k9z n ASP 36 Ca 0.13 -1.06 -0.15 0.00 -0.01 0.00 0.00 54.79 53.70 2k9z n ASP 36 Cb 0.44 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.45 2k9z n ASP 36 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2k9z s THR 37 N -0.06 0.00 0.26 2.12 -4.23 -1.26 -4.34 115.64 108.13 2k9z s THR 37 Ca 0.00 -1.96 -0.30 0.00 -1.18 0.00 0.00 61.69 58.26 2k9z s THR 37 Cb 0.00 -2.50 -0.10 0.00 1.34 0.00 0.00 72.50 71.25 2k9z s THR 37 CO 0.00 0.00 1.33 0.20 -0.54 0.00 0.00 174.62 175.61 2k9z s ASN 38 N -3.25 6.81 -0.26 3.99 0.01 -0.33 -3.57 114.94 118.33 2k9z s ASN 38 Ca 0.39 2.57 -0.03 0.00 -0.71 0.00 0.00 52.86 55.07 2k9z s ASN 38 Cb 0.04 -2.63 0.10 0.00 0.41 0.00 0.00 41.25 39.18 2k9z s ASN 38 CO 0.19 -0.55 0.18 -0.70 -1.51 0.00 0.00 177.10 174.71 2k9z s GLU 39 N -0.85 0.21 0.16 -0.60 2.12 -0.82 -1.12 118.70 117.79 2k9z s GLU 39 Ca 0.54 -0.28 -0.24 0.00 0.36 0.00 0.00 54.97 55.35 2k9z s GLU 39 Cb -0.39 -1.11 -0.08 0.00 0.26 0.00 0.00 34.13 32.81 2k9z s GLU 39 CO 0.45 -0.93 0.75 0.99 -0.54 0.00 0.00 175.26 175.97 2k9z s THR 40 N 2.20 4.43 0.11 -1.70 2.01 -1.02 -1.36 115.64 120.32 2k9z s THR 40 Ca 0.08 1.61 -0.06 0.00 0.31 0.00 0.00 61.69 63.62 2k9z s THR 40 Cb -0.15 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.26 2k9z s THR 40 CO -0.29 0.50 0.16 0.00 -0.69 0.00 0.00 174.62 174.30 2k9z s TYR 42 N -3.94 2.48 -0.34 0.00 5.04 -0.44 -1.30 117.35 118.86 2k9z s TYR 42 Ca 0.12 -1.74 -0.29 0.00 -2.44 0.00 0.00 57.07 52.73 2k9z s TYR 42 Cb 0.05 -1.63 -0.00 0.00 0.35 0.00 0.00 41.96 40.73 2k9z s TYR 42 CO -0.05 -0.77 1.50 0.42 -1.34 0.00 0.00 175.55 175.31 2k9z s ILE 43 N 1.37 3.83 -0.13 3.14 -1.09 -1.26 -1.25 121.20 125.81 2k9z s ILE 43 Ca -0.04 0.88 -0.00 0.00 -2.23 0.00 0.00 60.65 59.26 2k9z s ILE 43 Cb -0.18 -3.99 -0.24 0.00 -1.58 0.00 0.00 42.46 36.47 2k9z s ILE 43 CO -0.07 -0.55 0.33 0.18 -1.23 0.00 0.00 174.94 173.61 2k9z n LEU 44 N 8.78 2.20 -3.64 2.97 4.77 -0.46 -1.92 117.00 129.70 2k9z n LEU 44 Ca 0.18 0.20 -0.08 0.00 -0.03 0.00 0.00 56.01 56.27 2k9z n LEU 44 Cb 0.47 -0.75 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 2k9z n LEU 44 CO 0.67 0.76 0.53 -1.83 -1.33 0.00 0.00 177.39 176.19 2k9z s GLU 45 N -2.56 1.36 0.17 3.23 -1.05 -1.19 -4.78 118.70 113.88 2k9z s GLU 45 Ca -0.20 -0.65 0.00 0.00 -0.15 0.00 0.00 54.97 53.97 2k9z s GLU 45 Cb 0.07 0.53 0.00 0.00 -0.44 0.00 0.00 34.13 34.29 2k9z s GLU 45 CO 0.76 -0.61 0.00 0.41 0.95 0.00 0.00 175.26 176.77 2k9z n GLY 46 N -0.40 -2.84 3.17 -3.83 0.00 -1.26 -1.53 105.19 98.51 2k9z n GLY 46 Ca -0.09 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 2k9z n GLY 46 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k9z s LYS 47 N -0.66 0.52 0.04 1.61 2.36 -1.06 -4.34 119.74 118.21 2k9z s LYS 47 Ca 0.00 -0.11 -0.00 0.00 -2.55 0.00 0.00 55.97 53.31 2k9z s LYS 47 Cb 0.00 0.23 -0.03 0.00 -1.05 0.00 0.00 37.83 36.98 2k9z s LYS 47 CO 0.00 -0.12 -0.03 0.08 1.55 0.00 0.00 175.35 176.82 2k9z s VAL 48 N -0.96 0.22 -0.06 4.02 1.01 -1.25 -0.96 120.40 122.42 2k9z s VAL 48 Ca -0.10 -1.49 0.04 0.00 0.00 0.00 0.00 61.98 60.43 2k9z s VAL 48 Cb -0.05 -1.08 -0.00 0.00 0.00 0.00 0.00 36.38 35.25 2k9z s VAL 48 CO 0.02 -0.81 -0.19 -1.61 0.00 0.00 0.00 175.10 172.52 2k9z s GLU 49 N -3.02 2.11 -0.93 2.72 2.02 0.00 -3.58 118.70 118.01 2k9z s GLU 49 Ca -0.01 -0.68 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 2k9z s GLU 49 Cb 0.01 -1.76 0.23 0.00 0.10 0.00 0.00 34.13 32.72 2k9z s GLU 49 CO -0.06 0.23 0.84 0.14 0.02 0.00 0.00 175.26 176.42 2k9z s VAL 50 N 0.14 4.66 -0.05 2.63 -7.23 -0.10 -0.99 120.40 119.45 2k9z s VAL 50 Ca -0.08 -3.77 -0.30 0.00 -1.81 0.00 0.00 61.98 56.03 2k9z s VAL 50 Cb -0.14 -3.87 -0.04 0.00 0.56 0.00 0.00 36.38 32.89 2k9z s VAL 50 CO 0.04 -1.10 1.42 -0.89 -0.31 0.00 0.00 175.10 174.26 2k9z s THR 51 N -1.31 3.84 0.36 5.32 2.01 -1.26 -0.39 115.64 124.21 2k9z s THR 51 Ca 0.28 1.13 -0.05 0.00 0.31 0.00 0.00 61.69 63.35 2k9z s THR 51 Cb -0.08 -3.72 0.08 0.00 0.01 0.00 0.00 72.50 68.79 2k9z s THR 51 CO -0.12 -0.05 0.49 0.35 -0.69 0.00 0.00 174.62 174.61 2k9z n THR 52 N 5.03 0.00 -0.19 -0.82 -2.24 -0.99 -2.66 114.28 112.40 2k9z n THR 52 Ca 0.14 -0.43 -0.03 0.00 -2.27 0.00 0.00 64.05 61.46 2k9z n THR 52 Cb 0.44 -1.68 0.17 0.00 -2.10 0.00 0.00 70.33 67.16 2k9z n THR 52 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2k9z h GLU 53 N 0.00 0.96 0.00 -0.78 4.81 -1.92 -2.81 114.58 114.83 2k9z h GLU 53 Ca -0.16 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 58.89 2k9z h GLU 53 Cb 0.47 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.68 2k9z h GLU 53 CO 0.12 0.78 -0.13 0.22 -0.73 0.00 0.00 179.01 179.28 2k9z h ASP 54 N 0.94 0.00 0.00 1.04 1.82 -1.95 -3.46 116.42 114.80 2k9z h ASP 54 Ca 0.22 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.86 2k9z h ASP 54 Cb 0.18 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.19 2k9z h ASP 54 CO -0.02 0.13 0.00 0.61 -1.61 0.00 0.00 179.24 178.35 2k9z n GLY 55 N -0.92 0.54 3.71 -0.78 0.00 -1.06 -5.06 105.19 101.62 2k9z n GLY 55 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2k9z n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k9z s LYS 56 N -0.81 4.15 -0.56 1.61 1.02 -1.26 -4.67 119.74 119.23 2k9z s LYS 56 Ca 0.00 2.53 -0.21 0.00 0.02 0.00 0.00 55.97 58.30 2k9z s LYS 56 Cb 0.00 -3.19 0.06 0.00 -0.52 0.00 0.00 37.83 34.18 2k9z s LYS 56 CO 0.00 -0.72 0.81 -1.59 -0.92 0.00 0.00 175.35 172.93 2k9z s LYS 57 N 1.43 3.18 -0.59 1.68 0.00 -1.26 -2.34 119.74 121.84 2k9z s LYS 57 Ca 0.74 -0.72 -0.26 0.00 0.00 0.00 0.00 55.97 55.73 2k9z s LYS 57 Cb -0.47 -4.13 -0.03 0.00 0.00 0.00 0.00 37.83 33.20 2k9z s LYS 57 CO 0.32 -1.47 1.95 0.71 0.00 0.00 0.00 175.35 176.86 2k9z s TYR 58 N 3.37 1.57 0.16 1.78 2.02 0.48 -4.89 117.35 121.84 2k9z s TYR 58 Ca 0.21 0.91 -0.28 0.00 -0.37 0.00 0.00 57.07 57.54 2k9z s TYR 58 Cb -0.17 -4.01 -0.07 0.00 -0.40 0.00 0.00 41.96 37.31 2k9z s TYR 58 CO 0.13 -2.35 0.88 0.08 -1.57 0.00 0.00 175.55 172.73 2k9z s VAL 59 N 9.57 4.35 -0.35 0.71 1.01 -1.26 -0.93 120.40 133.50 2k9z s VAL 59 Ca 0.72 1.93 -0.00 0.00 0.00 0.00 0.00 61.98 64.62 2k9z s VAL 59 Cb -0.13 -4.25 0.14 0.00 0.00 0.00 0.00 36.38 32.13 2k9z s VAL 59 CO 0.22 0.44 0.21 0.27 0.00 0.00 0.00 175.10 176.24 2k9z s ILE 60 N -0.71 0.09 0.70 2.22 -4.36 -1.24 -5.01 121.20 112.90 2k9z s ILE 60 Ca 0.41 -1.60 -0.06 0.00 -0.26 0.00 0.00 60.65 59.14 2k9z s ILE 60 Cb -0.24 -1.08 0.06 0.00 1.25 0.00 0.00 42.46 42.46 2k9z s ILE 60 CO 0.29 -0.95 1.01 -1.83 0.24 0.00 0.00 174.94 173.69 2k9z s GLU 61 N 1.17 2.17 -0.19 0.37 1.03 -1.26 -3.93 118.70 118.05 2k9z s GLU 61 Ca 0.17 -0.31 -0.28 0.00 0.03 0.00 0.00 54.97 54.58 2k9z s GLU 61 Cb -0.22 -2.18 -0.05 0.00 -0.80 0.00 0.00 34.13 30.87 2k9z s GLU 61 CO -0.02 -1.24 2.17 -1.59 -1.33 0.00 0.00 175.26 173.25 2k9z s LYS 62 N -5.23 3.26 0.00 -4.83 -2.85 -1.26 -1.73 119.74 107.09 2k9z s LYS 62 Ca 0.60 2.07 0.00 0.00 -1.00 0.00 0.00 55.97 57.64 2k9z s LYS 62 Cb -0.10 -4.34 0.00 0.00 -2.06 0.00 0.00 37.83 31.33 2k9z s LYS 62 CO 0.44 -1.96 0.00 0.41 0.10 0.00 0.00 175.35 174.34 2k9z n GLY 63 N 5.60 1.62 3.55 0.59 0.00 -0.81 -5.01 105.19 110.73 2k9z n GLY 63 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 2k9z n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k9z s ASP 64 N -1.56 5.71 0.42 1.61 1.11 -0.71 -4.47 116.67 118.79 2k9z s ASP 64 Ca 0.00 0.07 -0.24 0.00 0.18 0.00 0.00 52.55 52.56 2k9z s ASP 64 Cb 0.00 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.37 2k9z s ASP 64 CO 0.00 -2.09 1.13 -0.22 1.18 0.00 0.00 175.17 175.18 2k9z s LEU 65 N 7.45 4.11 -0.02 1.23 2.96 -0.11 -4.20 118.68 130.10 2k9z s LEU 65 Ca 0.54 2.24 0.04 0.00 -0.22 0.00 0.00 54.13 56.73 2k9z s LEU 65 Cb -0.11 -4.16 -0.01 0.00 0.50 0.00 0.00 46.19 42.42 2k9z s LEU 65 CO 0.19 -0.71 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.69 2k9z s VAL 66 N -1.54 1.04 -0.31 1.68 1.01 -0.42 -1.76 120.40 120.10 2k9z s VAL 66 Ca 0.60 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 62.03 2k9z s VAL 66 Cb -0.27 -0.88 0.10 0.00 0.00 0.00 0.00 36.38 35.33 2k9z s VAL 66 CO 0.34 0.30 0.09 -0.89 0.00 0.00 0.00 175.10 174.94 2k9z s THR 67 N -0.18 1.06 0.46 3.92 2.01 -0.97 -0.72 115.64 121.22 2k9z s THR 67 Ca 0.03 -1.52 -0.23 0.00 0.31 0.00 0.00 61.69 60.28 2k9z s THR 67 Cb -0.06 -1.80 -0.07 0.00 0.01 0.00 0.00 72.50 70.57 2k9z s THR 67 CO -0.00 -0.66 1.14 -0.36 -0.69 0.00 0.00 174.62 174.05 2k9z s PHE 68 N 1.52 2.92 0.87 4.92 0.08 -0.46 -2.60 117.98 125.22 2k9z s PHE 68 Ca 0.10 1.55 -0.12 0.00 0.12 0.00 0.00 56.93 58.58 2k9z s PHE 68 Cb -0.17 -3.32 0.15 0.00 -0.57 0.00 0.00 43.02 39.10 2k9z s PHE 68 CO -0.23 -1.36 1.21 -1.25 -0.10 0.00 0.00 175.22 173.49 2k9z s PRO 69 N -2.74 1.21 -0.96 0.24 0.04 -1.26 -1.95 135.00 129.57 2k9z s PRO 69 Ca 0.64 -0.42 -0.24 0.00 0.04 0.00 0.00 61.00 61.02 2k9z s PRO 69 Cb -0.27 -1.98 0.02 0.00 0.04 0.00 0.00 34.50 32.31 2k9z s PRO 69 CO 0.32 -1.99 1.60 0.21 0.04 0.00 0.00 177.00 177.19 2k9z s LYS 70 N -5.64 3.24 0.00 4.56 2.20 -1.23 -4.29 119.74 118.57 2k9z s LYS 70 Ca 0.69 -0.80 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 2k9z s LYS 70 Cb -0.06 -5.20 0.00 0.00 -1.51 0.00 0.00 37.83 31.06 2k9z s LYS 70 CO 0.50 -2.57 0.00 0.41 -0.36 0.00 0.00 175.35 173.33 2k9z n GLY 71 N 6.79 1.04 3.36 5.54 0.00 -0.76 -4.83 105.19 116.33 2k9z n GLY 71 Ca 0.34 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 2k9z n GLY 71 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k9z s LEU 72 N 0.00 0.22 -0.09 0.99 2.96 0.07 -4.98 118.68 117.84 2k9z s LEU 72 Ca 0.00 0.81 0.03 0.00 -0.22 0.00 0.00 54.13 54.74 2k9z s LEU 72 Cb 0.00 1.64 -0.02 0.00 0.50 0.00 0.00 46.19 48.32 2k9z s LEU 72 CO 0.00 -0.24 -0.17 -0.60 -1.32 0.00 0.00 176.35 174.02 2k9z s ARG 73 N -0.10 2.96 0.30 1.98 3.52 -1.26 -1.10 118.95 125.26 2k9z s ARG 73 Ca -0.03 -0.75 -0.19 0.00 -0.13 0.00 0.00 55.73 54.63 2k9z s ARG 73 Cb -0.03 -2.44 0.05 0.00 -1.56 0.00 0.00 34.95 30.97 2k9z s ARG 73 CO 0.02 0.35 0.83 0.00 -0.81 0.00 0.00 175.30 175.68 2k9z n ARG 75 N -0.53 -2.09 -3.26 0.00 3.00 -1.09 -1.83 116.66 110.87 2k9z n ARG 75 Ca -0.06 -0.98 -0.04 0.00 -0.01 0.00 0.00 57.85 56.76 2k9z n ARG 75 Cb 0.60 -0.90 -0.05 0.00 0.00 0.00 0.00 32.46 32.12 2k9z n ARG 75 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2k9z s TRP 76 N -2.13 -1.22 -0.30 -1.55 0.52 0.33 -4.18 118.94 110.41 2k9z s TRP 76 Ca 0.39 0.94 -0.10 0.00 0.02 0.00 0.00 56.10 57.36 2k9z s TRP 76 Cb -0.04 0.15 -0.02 0.00 -1.15 0.00 0.00 33.47 32.41 2k9z s TRP 76 CO 0.30 -0.89 0.15 0.21 0.02 0.00 0.00 176.95 176.74 2k9z s LYS 77 N 2.66 3.46 -0.54 4.98 2.20 -0.16 -1.53 119.74 130.81 2k9z s LYS 77 Ca 0.13 -0.63 -0.26 0.00 -0.36 0.00 0.00 55.97 54.85 2k9z s LYS 77 Cb -0.14 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.66 2k9z s LYS 77 CO -0.23 -0.36 1.03 0.08 -0.36 0.00 0.00 175.35 175.51 2k9z s VAL 78 N 1.64 4.28 -0.32 4.02 1.01 -0.19 -0.82 120.40 130.01 2k9z s VAL 78 Ca 0.05 0.60 0.22 0.00 0.00 0.00 0.00 61.98 62.85 2k9z s VAL 78 Cb -0.17 -4.58 0.17 0.00 0.00 0.00 0.00 36.38 31.80 2k9z s VAL 78 CO 0.07 -1.13 1.37 -0.07 0.00 0.00 0.00 175.10 175.33 2k9z h LEU 79 N 11.21 0.00 -7.08 3.92 3.38 -1.32 -3.28 115.31 122.14 2k9z h LEU 79 Ca -0.25 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 2k9z h LEU 79 Cb 1.07 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.64 2k9z h LEU 79 CO 1.11 0.09 0.13 -1.61 0.09 0.00 0.00 178.44 178.25 2k9z s GLU 80 N -3.21 1.05 -0.46 1.13 0.41 -0.56 -4.88 118.70 112.17 2k9z s GLU 80 Ca 0.04 0.05 -0.27 0.00 -0.41 0.00 0.00 54.97 54.38 2k9z s GLU 80 Cb 0.07 0.49 -0.05 0.00 -1.78 0.00 0.00 34.13 32.86 2k9z s GLU 80 CO 0.73 -0.35 2.18 -1.25 -0.49 0.00 0.00 175.26 176.07 2k9z s PRO 81 N -1.73 2.51 0.27 0.39 0.04 -1.26 -2.55 135.00 132.66 2k9z s PRO 81 Ca -0.09 1.31 -0.22 0.00 0.04 0.00 0.00 61.00 62.04 2k9z s PRO 81 Cb -0.01 -4.46 -0.09 0.00 0.04 0.00 0.00 34.50 29.98 2k9z s PRO 81 CO 0.05 -2.82 0.81 0.54 0.04 0.00 0.00 177.00 175.62 2k9z s VAL 82 N 10.31 4.43 -0.10 -0.36 0.11 -1.26 -4.28 120.40 129.25 2k9z s VAL 82 Ca 0.89 1.49 0.02 0.00 -2.93 0.00 0.00 61.98 61.45 2k9z s VAL 82 Cb -0.19 -3.90 -0.01 0.00 -1.53 0.00 0.00 36.38 30.75 2k9z s VAL 82 CO 0.27 0.16 -0.18 -0.13 -3.33 0.00 0.00 175.10 171.88 2k9z s ARG 83 N -2.06 3.06 0.05 1.54 0.52 -0.58 -3.47 118.95 118.02 2k9z s ARG 83 Ca 0.46 -0.78 0.03 0.00 -0.52 0.00 0.00 55.73 54.93 2k9z s ARG 83 Cb -0.17 -2.43 -0.03 0.00 0.52 0.00 0.00 34.95 32.84 2k9z s ARG 83 CO 0.22 0.27 -0.09 -1.59 0.02 0.00 0.00 175.30 174.13 2k9z s LYS 84 N 0.15 0.60 -0.36 3.54 0.00 -1.19 -1.36 119.74 121.13 2k9z s LYS 84 Ca -0.10 -0.81 -0.16 0.00 0.00 0.00 0.00 55.97 54.90 2k9z s LYS 84 Cb -0.16 -0.43 -0.00 0.00 0.00 0.00 0.00 37.83 37.24 2k9z s LYS 84 CO 0.06 0.08 0.41 -1.01 0.00 0.00 0.00 175.35 174.90 2k9z s HIS 85 N -1.35 3.19 0.36 1.78 3.76 -0.38 -3.09 115.29 119.55 2k9z s HIS 85 Ca -0.08 -0.06 0.08 0.00 -0.15 0.00 0.00 55.06 54.85 2k9z s HIS 85 Cb -0.10 -2.78 -0.03 0.00 1.11 0.00 0.00 32.58 30.78 2k9z s HIS 85 CO 0.01 -0.52 0.31 1.52 -0.85 0.00 0.00 174.74 175.21 2k9z s TYR 86 N 2.13 2.83 -0.17 1.40 1.13 -1.00 -1.32 117.35 122.35 2k9z s TYR 86 Ca 0.13 -0.37 -0.10 0.00 -1.41 0.00 0.00 57.07 55.33 2k9z s TYR 86 Cb -0.16 -1.90 0.06 0.00 -1.10 0.00 0.00 41.96 38.85 2k9z s TYR 86 CO 0.12 0.10 0.41 1.21 -2.51 0.00 0.00 175.55 174.89 2k9z s ASN 87 N -4.02 -0.51 0.06 -0.18 2.47 0.24 -3.74 114.94 109.26 2k9z s ASN 87 Ca 0.43 0.89 -0.23 0.00 0.42 0.00 0.00 52.86 54.36 2k9z s ASN 87 Cb -0.05 0.78 -0.06 0.00 -1.45 0.00 0.00 41.25 40.47 2k9z s ASN 87 CO 0.27 -0.19 0.71 -0.76 -3.72 0.00 0.00 177.10 173.41 2k9z s LEU 88 N 1.31 4.48 0.00 3.21 1.43 -1.26 -2.42 118.68 125.43 2k9z s LEU 88 Ca -0.09 1.41 0.00 0.00 -1.03 0.00 0.00 54.13 54.42 2k9z s LEU 88 Cb -0.08 -3.14 0.00 0.00 0.03 0.00 0.00 46.19 43.00 2k9z s LEU 88 CO -0.12 0.11 0.00 2.22 0.23 0.00 0.00 176.35 178.79