#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 4.28 -0.03 0.03 2.02 -1.26 -4.83 118.70 118.90 2k9z s GLU 2 Ca 0.00 0.99 -0.03 0.00 0.02 0.00 0.00 54.97 55.96 2k9z s GLU 2 Cb 0.00 -2.61 0.01 0.00 0.10 0.00 0.00 34.13 31.63 2k9z s GLU 2 CO 0.00 0.22 0.05 0.28 0.02 0.00 0.00 175.26 175.84 2k9z n VAL 3 N 0.16 -8.91 -3.58 2.63 0.31 -1.26 -4.98 118.33 102.69 2k9z n VAL 3 Ca 0.02 2.03 -0.38 0.00 -0.01 0.00 0.00 64.34 65.99 2k9z n VAL 3 Cb 0.52 -4.75 -0.11 0.00 -0.91 0.00 0.00 33.84 28.59 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 -0.41 3.90 -0.02 5.55 2.20 -1.21 -5.03 119.74 124.73 2k9z s LYS 4 Ca -0.06 -0.36 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 2k9z s LYS 4 Cb 0.00 -3.67 0.02 0.00 -1.51 0.00 0.00 37.83 32.67 2k9z s LYS 4 CO 0.17 -0.21 0.02 0.42 -0.36 0.00 0.00 175.35 175.39 2k9z s ILE 5 N 1.75 -0.03 0.31 5.43 1.01 -1.26 -1.17 121.20 127.24 2k9z s ILE 5 Ca 0.07 0.15 0.01 0.00 0.00 0.00 0.00 60.65 60.88 2k9z s ILE 5 Cb -0.16 -0.08 -0.02 0.00 0.01 0.00 0.00 42.46 42.21 2k9z s ILE 5 CO 0.11 0.07 0.34 -1.61 0.00 0.00 0.00 174.94 173.85 2k9z s GLU 6 N 0.81 1.70 -0.76 2.79 2.02 -0.84 -5.00 118.70 119.42 2k9z s GLU 6 Ca -0.07 -1.79 -0.03 0.00 0.02 0.00 0.00 54.97 53.10 2k9z s GLU 6 Cb -0.10 0.37 0.19 0.00 0.10 0.00 0.00 34.13 34.70 2k9z s GLU 6 CO -0.02 -0.66 0.62 0.15 0.02 0.00 0.00 175.26 175.37 2k9z s LYS 7 N -3.46 2.97 0.73 1.61 3.01 -1.26 -0.50 119.74 122.83 2k9z s LYS 7 Ca 0.35 -2.87 -0.13 0.00 -1.01 0.00 0.00 55.97 52.31 2k9z s LYS 7 Cb 0.02 -3.88 0.04 0.00 -1.01 0.00 0.00 37.83 32.99 2k9z s LYS 7 CO 0.21 -1.22 1.11 -1.25 0.51 0.00 0.00 175.35 174.70 2k9z s PRO 8 N -0.65 2.43 0.47 -1.68 0.04 -1.26 -5.02 135.00 129.34 2k9z s PRO 8 Ca 0.22 1.30 -0.24 0.00 0.04 0.00 0.00 61.00 62.32 2k9z s PRO 8 Cb -0.14 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.41 2k9z s PRO 8 CO -0.08 -1.53 1.26 -2.37 0.04 0.00 0.00 177.00 174.33 2k9z n THR 9 N -3.05 3.01 0.13 1.26 5.66 -1.26 -4.94 114.28 115.10 2k9z n THR 9 Ca 0.10 -0.50 -0.00 0.00 -3.05 0.00 0.00 64.05 60.60 2k9z n THR 9 Cb 0.52 -1.55 0.28 0.00 -1.55 0.00 0.00 70.33 68.02 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 1.75 0.12 -0.74 1.09 0.13 -2.00 -3.13 132.00 129.21 2k9z h PRO 10 Ca -0.49 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.60 2k9z h PRO 10 Cb 1.30 -0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.39 2k9z h PRO 10 CO 0.58 0.51 0.49 0.93 -0.23 0.00 0.00 178.00 180.28 2k9z h GLU 11 N 0.10 0.96 -0.89 0.86 5.08 -2.00 -1.37 114.58 117.33 2k9z h GLU 11 Ca 0.01 -0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2k9z h GLU 11 Cb 0.77 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.74 2k9z h GLU 11 CO 0.06 0.64 0.55 -0.22 -1.00 0.00 0.00 179.01 179.04 2k9z h LYS 12 N 0.99 0.95 -0.08 2.33 1.63 -1.94 -0.68 116.57 119.77 2k9z h LYS 12 Ca 0.27 -0.06 -0.12 0.00 -0.85 0.00 0.00 60.65 59.90 2k9z h LYS 12 Cb -0.10 -0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 31.30 2k9z h LYS 12 CO -0.06 0.63 -0.48 -0.07 -3.45 0.00 0.00 179.45 176.02 2k9z h LEU 13 N 0.97 0.21 -0.08 5.20 -0.00 -1.37 0.45 115.31 120.69 2k9z h LEU 13 Ca 0.40 -0.10 -0.00 0.00 -0.00 0.00 0.00 57.88 58.18 2k9z h LEU 13 Cb 0.24 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 40.84 2k9z h LEU 13 CO -0.20 0.66 0.05 0.11 -0.00 0.00 0.00 178.44 179.05 2k9z h LYS 14 N 0.16 0.11 -0.17 1.13 1.57 -0.29 -3.27 116.57 115.82 2k9z h LYS 14 Ca 0.01 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 2k9z h LYS 14 Cb 0.90 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.18 2k9z h LYS 14 CO 0.07 0.15 0.08 0.93 -0.57 0.00 0.00 179.45 180.11 2k9z h GLU 15 N 0.05 0.25 0.00 3.15 5.08 -0.53 -2.70 114.58 119.87 2k9z h GLU 15 Ca 0.03 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k9z h GLU 15 Cb 0.07 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2k9z h GLU 15 CO -0.00 0.30 0.02 1.28 -1.00 0.00 0.00 179.01 179.61 2k9z n LEU 16 N -4.88 0.00 -0.70 1.33 4.77 0.09 -4.79 117.00 112.83 2k9z n LEU 16 Ca -0.04 0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 56.22 2k9z n LEU 16 Cb 0.11 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2k9z n LEU 16 CO 0.35 -0.34 -0.08 -1.20 -1.33 0.00 0.00 177.39 174.78 2k9z n SER 17 N -1.34 -2.58 0.17 -1.43 7.64 -1.02 -4.92 113.62 110.14 2k9z n SER 17 Ca 0.00 0.01 0.16 0.00 1.01 0.00 0.00 58.87 60.05 2k9z n SER 17 Cb 0.02 -1.83 0.76 0.00 -1.01 0.00 0.00 64.21 62.16 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 0.63 -0.05 0.44 2.07 -1.78 0.10 116.25 117.66 2k9z h VAL 18 Ca -0.15 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.39 2k9z h VAL 18 Cb 1.06 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2k9z h VAL 18 CO 0.18 0.00 0.04 1.05 0.02 0.00 0.00 177.57 178.86 2k9z h GLU 19 N 0.00 0.00 0.00 1.57 4.11 -1.91 -1.46 114.58 116.88 2k9z h GLU 19 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 2k9z h GLU 19 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2k9z h GLU 19 CO -0.00 0.00 -0.31 1.63 0.07 0.00 0.00 179.01 180.40 2k9z n LYS 20 N -4.29 0.18 -1.67 1.06 5.02 0.35 -4.91 118.16 113.91 2k9z n LYS 20 Ca -0.02 0.10 -0.31 0.00 -2.02 0.00 0.00 58.31 56.05 2k9z n LYS 20 Cb 0.14 -1.66 0.04 0.00 -0.02 0.00 0.00 35.03 33.53 2k9z n LYS 20 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2k9z s TRP 21 N -3.09 3.08 0.27 2.13 0.52 -0.55 -5.00 118.94 116.30 2k9z s TRP 21 Ca 0.10 1.44 -0.30 0.00 0.02 0.00 0.00 56.10 57.36 2k9z s TRP 21 Cb 0.15 -2.91 -0.10 0.00 -1.15 0.00 0.00 33.47 29.46 2k9z s TRP 21 CO 0.65 -1.21 1.37 -1.25 0.02 0.00 0.00 176.95 176.53 2k9z s PRO 22 N -4.84 4.32 0.51 4.98 0.04 -1.25 -4.88 135.00 133.88 2k9z s PRO 22 Ca 0.59 2.23 -0.20 0.00 0.04 0.00 0.00 61.00 63.66 2k9z s PRO 22 Cb -0.14 -3.11 -0.07 0.00 0.04 0.00 0.00 34.50 31.22 2k9z s PRO 22 CO 0.51 -0.31 1.09 0.42 0.04 0.00 0.00 177.00 178.75 2k9z s ILE 23 N -0.41 3.46 -0.16 0.56 1.01 -1.26 -1.96 121.20 122.44 2k9z s ILE 23 Ca 0.55 0.91 -0.04 0.00 0.00 0.00 0.00 60.65 62.07 2k9z s ILE 23 Cb -0.40 -3.37 0.07 0.00 0.01 0.00 0.00 42.46 38.77 2k9z s ILE 23 CO 0.46 -0.19 0.14 0.86 0.00 0.00 0.00 174.94 176.21 2k9z s TRP 24 N -1.87 -0.03 0.62 3.97 -0.00 -1.18 -4.89 118.94 115.56 2k9z s TRP 24 Ca 0.70 0.04 -0.04 0.00 -0.00 0.00 0.00 56.10 56.81 2k9z s TRP 24 Cb -0.20 -0.50 0.04 0.00 -0.00 0.00 0.00 33.47 32.80 2k9z s TRP 24 CO 0.24 -0.48 0.90 -1.83 -0.00 0.00 0.00 176.95 175.78 2k9z s GLU 25 N 2.23 2.51 0.17 5.86 -1.05 -1.26 -2.34 118.70 124.81 2k9z s GLU 25 Ca 0.04 -0.35 -0.18 0.00 -0.15 0.00 0.00 54.97 54.33 2k9z s GLU 25 Cb -0.15 -2.30 0.04 0.00 -0.44 0.00 0.00 34.13 31.28 2k9z s GLU 25 CO -0.09 -0.92 0.50 0.21 0.95 0.00 0.00 175.26 175.92 2k9z s LYS 26 N -5.02 1.27 0.94 -4.83 2.47 -1.15 -4.99 119.74 108.44 2k9z s LYS 26 Ca 0.57 -0.74 -0.13 0.00 -1.56 0.00 0.00 55.97 54.11 2k9z s LYS 26 Cb -0.11 0.52 0.15 0.00 -1.46 0.00 0.00 37.83 36.94 2k9z s LYS 26 CO 0.43 -0.53 1.14 -1.21 0.16 0.00 0.00 175.35 175.33 2k9z s GLU 27 N -3.83 0.92 -1.42 4.03 0.41 -1.26 -4.01 118.70 113.54 2k9z s GLU 27 Ca 0.06 0.28 -0.14 0.00 -0.41 0.00 0.00 54.97 54.76 2k9z s GLU 27 Cb -0.00 -1.82 0.06 0.00 -1.78 0.00 0.00 34.13 30.59 2k9z s GLU 27 CO -0.07 -2.34 2.13 1.55 -0.49 0.00 0.00 175.26 176.03 2k9z n VAL 28 N -3.86 3.61 -4.05 2.63 3.14 -1.26 -4.73 118.33 113.80 2k9z n VAL 28 Ca 0.07 -3.30 -0.03 0.00 -2.96 0.00 0.00 64.34 58.12 2k9z n VAL 28 Cb 0.59 -2.55 -0.01 0.00 -1.06 0.00 0.00 33.84 30.81 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 6.09 0.60 -4.21 6.55 2.88 -1.21 -4.97 113.62 119.35 2k9z n SER 29 Ca 0.50 -1.26 -0.17 0.00 -1.33 0.00 0.00 58.87 56.61 2k9z n SER 29 Cb 0.39 0.15 -0.11 0.00 -0.75 0.00 0.00 64.21 63.89 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 -2.18 0.93 0.00 -1.46 -1.05 -1.26 -0.74 118.70 112.94 2k9z s GLU 30 Ca 0.03 -1.16 0.00 0.00 -0.15 0.00 0.00 54.97 53.69 2k9z s GLU 30 Cb 0.00 -0.76 0.00 0.00 -0.44 0.00 0.00 34.13 32.93 2k9z s GLU 30 CO 0.02 0.14 0.00 1.97 0.95 0.00 0.00 175.26 178.34 2k9z n PHE 31 N 0.66 -0.74 -4.39 4.83 1.16 -0.15 -5.01 117.46 113.82 2k9z n PHE 31 Ca -0.17 0.00 -0.27 0.00 -1.87 0.00 0.00 57.45 55.15 2k9z n PHE 31 Cb 0.57 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.32 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 -0.30 3.22 0.05 5.98 -4.77 -1.26 -0.40 116.67 119.19 2k9z s ASP 32 Ca 0.00 -0.81 0.02 0.00 -3.30 0.00 0.00 52.55 48.46 2k9z s ASP 32 Cb 0.00 -0.22 -0.03 0.00 -1.09 0.00 0.00 42.92 41.58 2k9z s ASP 32 CO 0.00 0.12 -0.07 0.86 0.70 0.00 0.00 175.17 176.77 2k9z s TRP 33 N -1.46 0.68 -0.08 2.11 -0.11 -0.24 -4.83 118.94 115.01 2k9z s TRP 33 Ca 0.16 -0.59 0.03 0.00 1.22 0.00 0.00 56.10 56.93 2k9z s TRP 33 Cb -0.09 -0.41 0.01 0.00 -1.50 0.00 0.00 33.47 31.48 2k9z s TRP 33 CO 0.08 -0.11 -0.17 -0.47 -4.62 0.00 0.00 176.95 171.65 2k9z s TYR 34 N -1.83 1.96 -0.30 5.86 6.14 -1.26 -2.03 117.35 125.89 2k9z s TYR 34 Ca -0.06 -0.78 -0.05 0.00 0.64 0.00 0.00 57.07 56.82 2k9z s TYR 34 Cb -0.07 -1.37 0.03 0.00 0.42 0.00 0.00 41.96 40.97 2k9z s TYR 34 CO -0.01 -0.35 0.04 0.71 0.64 0.00 0.00 175.55 176.58 2k9z s TYR 35 N 0.55 3.19 -1.31 4.97 2.02 0.40 -4.96 117.35 122.22 2k9z s TYR 35 Ca -0.16 -1.41 0.11 0.00 -0.37 0.00 0.00 57.07 55.25 2k9z s TYR 35 Cb -0.17 -2.19 0.15 0.00 -0.40 0.00 0.00 41.96 39.35 2k9z s TYR 35 CO 0.06 -0.70 0.98 -0.40 -1.57 0.00 0.00 175.55 173.91 2k9z n ASP 36 N 4.76 2.24 -3.99 2.29 5.68 -1.26 -0.98 116.55 125.29 2k9z n ASP 36 Ca -0.14 -1.63 -0.11 0.00 -0.50 0.00 0.00 54.79 52.41 2k9z n ASP 36 Cb 0.46 -0.07 -0.07 0.00 -1.14 0.00 0.00 41.12 40.30 2k9z n ASP 36 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 2k9z s THR 37 N -0.97 0.00 0.61 2.12 -4.23 -1.26 -4.35 115.64 107.56 2k9z s THR 37 Ca 0.16 -1.71 -0.19 0.00 -1.18 0.00 0.00 61.69 58.78 2k9z s THR 37 Cb 0.10 -2.39 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 2k9z s THR 37 CO 0.15 0.00 1.24 0.20 -0.54 0.00 0.00 174.62 175.67 2k9z s ASN 38 N -3.11 5.00 -0.17 3.99 0.01 -1.26 -3.93 114.94 115.47 2k9z s ASN 38 Ca 0.31 2.49 -0.04 0.00 -0.71 0.00 0.00 52.86 54.91 2k9z s ASN 38 Cb 0.03 -2.61 0.08 0.00 0.41 0.00 0.00 41.25 39.16 2k9z s ASN 38 CO 0.12 -1.73 0.25 -0.70 -1.51 0.00 0.00 177.10 173.53 2k9z s GLU 39 N -3.32 0.18 0.12 -0.60 2.12 -1.10 -2.72 118.70 113.38 2k9z s GLU 39 Ca 0.79 0.51 -0.19 0.00 0.36 0.00 0.00 54.97 56.44 2k9z s GLU 39 Cb -0.33 -0.54 -0.07 0.00 0.26 0.00 0.00 34.13 33.45 2k9z s GLU 39 CO 0.36 -0.46 0.61 0.99 -0.54 0.00 0.00 175.26 176.21 2k9z s THR 40 N 2.39 4.71 -0.01 -1.70 2.01 -0.86 -1.09 115.64 121.09 2k9z s THR 40 Ca 0.05 1.17 -0.15 0.00 0.31 0.00 0.00 61.69 63.06 2k9z s THR 40 Cb -0.14 -3.87 0.02 0.00 0.01 0.00 0.00 72.50 68.53 2k9z s THR 40 CO -0.10 0.42 0.32 0.00 -0.69 0.00 0.00 174.62 174.57 2k9z s TYR 42 N -1.37 2.36 -0.09 0.00 5.04 -0.84 -0.78 117.35 121.67 2k9z s TYR 42 Ca -0.13 -1.65 -0.30 0.00 -2.44 0.00 0.00 57.07 52.55 2k9z s TYR 42 Cb -0.05 -1.58 -0.04 0.00 0.35 0.00 0.00 41.96 40.64 2k9z s TYR 42 CO 0.04 -0.75 1.52 0.42 -1.34 0.00 0.00 175.55 175.44 2k9z s ILE 43 N 1.41 3.82 -0.05 3.14 -1.09 -1.26 -1.90 121.20 125.27 2k9z s ILE 43 Ca -0.04 0.99 0.10 0.00 -2.23 0.00 0.00 60.65 59.47 2k9z s ILE 43 Cb -0.18 -3.64 -0.14 0.00 -1.58 0.00 0.00 42.46 36.92 2k9z s ILE 43 CO -0.07 -0.09 0.14 0.18 -1.23 0.00 0.00 174.94 173.87 2k9z n LEU 44 N 6.95 0.00 -3.45 2.97 4.32 -0.79 -2.24 117.00 124.76 2k9z n LEU 44 Ca 0.16 0.00 -0.14 0.00 -0.02 0.00 0.00 56.01 56.02 2k9z n LEU 44 Cb 0.43 0.11 -0.03 0.00 -1.62 0.00 0.00 43.42 42.32 2k9z n LEU 44 CO 0.60 0.11 0.42 -1.83 -1.22 0.00 0.00 177.39 175.47 2k9z s GLU 45 N -2.50 1.21 0.00 3.23 -1.05 -1.23 -4.82 118.70 113.55 2k9z s GLU 45 Ca -0.04 -0.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 2k9z s GLU 45 Cb 0.05 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.30 2k9z s GLU 45 CO 0.42 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 176.55 2k9z n GLY 46 N -0.03 -1.15 2.97 -3.83 0.00 -1.26 -1.45 105.19 100.43 2k9z n GLY 46 Ca -0.17 -1.60 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.21 0.17 0.06 1.61 2.36 -1.10 -4.22 119.74 117.41 2k9z s LYS 47 Ca 0.00 -0.10 0.01 0.00 -2.55 0.00 0.00 55.97 53.32 2k9z s LYS 47 Cb 0.00 0.07 -0.03 0.00 -1.05 0.00 0.00 37.83 36.82 2k9z s LYS 47 CO 0.00 -0.03 -0.05 0.08 1.55 0.00 0.00 175.35 176.90 2k9z s VAL 48 N -0.42 0.39 -0.16 4.02 1.01 -1.23 -1.55 120.40 122.45 2k9z s VAL 48 Ca -0.05 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2k9z s VAL 48 Cb -0.03 -1.18 0.03 0.00 0.00 0.00 0.00 36.38 35.20 2k9z s VAL 48 CO 0.00 -0.77 -0.13 -1.61 0.00 0.00 0.00 175.10 172.60 2k9z s GLU 49 N -3.04 2.20 -0.49 2.72 2.02 0.07 -3.18 118.70 119.00 2k9z s GLU 49 Ca 0.01 -0.65 -0.19 0.00 0.02 0.00 0.00 54.97 54.16 2k9z s GLU 49 Cb 0.01 -2.20 0.05 0.00 0.10 0.00 0.00 34.13 32.09 2k9z s GLU 49 CO -0.05 -0.30 0.61 0.08 0.02 0.00 0.00 175.26 175.62 2k9z s VAL 50 N 1.46 4.89 -0.51 2.63 1.01 -0.20 -0.88 120.40 128.80 2k9z s VAL 50 Ca 0.03 -0.36 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 2k9z s VAL 50 Cb -0.14 -4.26 0.05 0.00 0.00 0.00 0.00 36.38 32.04 2k9z s VAL 50 CO -0.10 -0.73 0.66 -0.89 0.00 0.00 0.00 175.10 174.05 2k9z s THR 51 N 2.62 4.81 0.99 3.92 2.01 -1.16 -0.91 115.64 127.92 2k9z s THR 51 Ca 0.16 -0.34 -0.12 0.00 0.31 0.00 0.00 61.69 61.70 2k9z s THR 51 Cb -0.18 -4.32 0.18 0.00 0.01 0.00 0.00 72.50 68.19 2k9z s THR 51 CO 0.13 -0.82 1.09 0.42 -0.69 0.00 0.00 174.62 174.75 2k9z s THR 52 N 2.81 2.18 0.38 -0.82 -4.23 0.29 -1.09 115.64 115.15 2k9z s THR 52 Ca 0.18 0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.82 2k9z s THR 52 Cb -0.18 -2.52 0.16 0.00 1.34 0.00 0.00 72.50 71.30 2k9z s THR 52 CO 0.13 -0.08 1.91 1.05 -0.54 0.00 0.00 174.62 177.10 2k9z h GLU 53 N -1.87 0.33 0.00 3.99 4.11 -1.90 -0.99 114.58 118.25 2k9z h GLU 53 Ca -0.54 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.82 2k9z h GLU 53 Cb 1.32 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2k9z h GLU 53 CO 0.57 0.42 0.00 -3.47 0.07 0.00 0.00 179.01 176.60 2k9z n ASP 54 N -4.29 0.00 0.00 3.06 -0.08 -1.26 -4.86 116.55 109.12 2k9z n ASP 54 Ca 0.00 0.19 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 2k9z n ASP 54 Cb 0.25 -0.33 0.00 0.00 2.34 0.00 0.00 41.12 43.37 2k9z n ASP 54 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2k9z n GLY 55 N -0.19 0.74 3.74 0.27 0.00 -0.37 -5.03 105.19 104.35 2k9z n GLY 55 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 2k9z n GLY 55 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k9z s LYS 56 N -0.70 4.41 -0.49 1.61 2.20 -1.26 -4.58 119.74 120.93 2k9z s LYS 56 Ca 0.00 2.03 -0.17 0.00 -0.36 0.00 0.00 55.97 57.47 2k9z s LYS 56 Cb 0.00 -3.19 0.07 0.00 -1.51 0.00 0.00 37.83 33.19 2k9z s LYS 56 CO 0.00 -0.21 0.53 -1.59 -0.36 0.00 0.00 175.35 173.72 2k9z s LYS 57 N -0.28 3.06 -0.53 4.03 0.00 -1.26 -0.55 119.74 124.21 2k9z s LYS 57 Ca 0.55 -1.12 -0.29 0.00 0.00 0.00 0.00 55.97 55.12 2k9z s LYS 57 Cb -0.36 -4.12 0.03 0.00 0.00 0.00 0.00 37.83 33.38 2k9z s LYS 57 CO 0.39 -1.15 1.19 0.71 0.00 0.00 0.00 175.35 176.49 2k9z s TYR 58 N 2.19 2.66 0.40 1.78 1.51 -0.08 -4.93 117.35 120.89 2k9z s TYR 58 Ca 0.10 0.55 -0.23 0.00 -1.01 0.00 0.00 57.07 56.48 2k9z s TYR 58 Cb -0.22 -4.47 -0.10 0.00 -0.11 0.00 0.00 41.96 37.06 2k9z s TYR 58 CO 0.09 -1.50 1.00 0.08 -1.11 0.00 0.00 175.55 174.12 2k9z s VAL 59 N 4.84 3.98 -0.15 0.71 1.01 -1.26 -1.03 120.40 128.49 2k9z s VAL 59 Ca 0.46 1.43 -0.06 0.00 0.00 0.00 0.00 61.98 63.81 2k9z s VAL 59 Cb -0.08 -3.69 0.07 0.00 0.00 0.00 0.00 36.38 32.68 2k9z s VAL 59 CO 0.28 -0.08 0.31 0.27 0.00 0.00 0.00 175.10 175.89 2k9z s ILE 60 N -1.82 -0.41 0.51 2.22 -4.36 -1.19 -4.99 121.20 111.16 2k9z s ILE 60 Ca 0.59 0.22 0.09 0.00 -0.26 0.00 0.00 60.65 61.29 2k9z s ILE 60 Cb -0.18 -0.51 0.05 0.00 1.25 0.00 0.00 42.46 43.08 2k9z s ILE 60 CO 0.22 0.09 0.65 -1.61 0.24 0.00 0.00 174.94 174.54 2k9z s GLU 61 N 2.28 2.47 -0.17 0.37 8.01 -1.26 -3.53 118.70 126.86 2k9z s GLU 61 Ca -0.01 -1.56 -0.02 0.00 0.01 0.00 0.00 54.97 53.38 2k9z s GLU 61 Cb -0.12 -2.59 -0.04 0.00 -4.31 0.00 0.00 34.13 27.07 2k9z s GLU 61 CO -0.10 -0.61 1.32 0.36 0.01 0.00 0.00 175.26 176.24 2k9z n LYS 62 N -2.02 0.63 0.00 1.61 2.85 -1.26 -2.17 118.16 117.81 2k9z n LYS 62 Ca 0.10 -0.53 0.00 0.00 -1.05 0.00 0.00 58.31 56.84 2k9z n LYS 62 Cb 0.61 -1.87 0.00 0.00 -0.65 0.00 0.00 35.03 33.12 2k9z n LYS 62 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k9z n GLY 63 N 3.35 0.03 3.57 2.58 0.00 -0.95 -4.64 105.19 109.12 2k9z n GLY 63 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 0.00 6.16 0.39 1.61 1.11 -0.92 -4.52 116.67 120.50 2k9z s ASP 64 Ca 0.00 0.05 -0.25 0.00 0.18 0.00 0.00 52.55 52.52 2k9z s ASP 64 Cb 0.00 -2.55 -0.09 0.00 1.07 0.00 0.00 42.92 41.35 2k9z s ASP 64 CO 0.00 -1.73 1.15 -0.22 1.18 0.00 0.00 175.17 175.55 2k9z s LEU 65 N 5.91 4.22 0.17 1.23 2.96 0.34 -4.26 118.68 129.25 2k9z s LEU 65 Ca 0.46 2.31 0.09 0.00 -0.22 0.00 0.00 54.13 56.77 2k9z s LEU 65 Cb -0.09 -4.00 -0.04 0.00 0.50 0.00 0.00 46.19 42.55 2k9z s LEU 65 CO 0.22 -0.61 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.76 2k9z s VAL 66 N -1.42 1.91 -0.26 1.68 1.01 0.04 -1.98 120.40 121.38 2k9z s VAL 66 Ca 0.56 -1.93 -0.02 0.00 0.00 0.00 0.00 61.98 60.60 2k9z s VAL 66 Cb -0.30 -1.88 0.12 0.00 0.00 0.00 0.00 36.38 34.32 2k9z s VAL 66 CO 0.38 -0.27 0.26 -0.89 0.00 0.00 0.00 175.10 174.58 2k9z s THR 67 N -1.95 -0.36 0.60 3.92 2.01 -0.32 -1.40 115.64 118.14 2k9z s THR 67 Ca 0.16 -0.40 -0.15 0.00 0.31 0.00 0.00 61.69 61.61 2k9z s THR 67 Cb -0.06 -0.90 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 2k9z s THR 67 CO 0.07 -0.41 1.06 -0.36 -0.69 0.00 0.00 174.62 174.29 2k9z s PHE 68 N 2.33 3.01 0.81 4.92 0.08 -0.25 -3.29 117.98 125.60 2k9z s PHE 68 Ca 0.09 1.50 -0.07 0.00 0.12 0.00 0.00 56.93 58.57 2k9z s PHE 68 Cb -0.15 -2.99 0.15 0.00 -0.57 0.00 0.00 43.02 39.46 2k9z s PHE 68 CO -0.27 -1.10 1.12 -1.25 -0.10 0.00 0.00 175.22 173.62 2k9z s PRO 69 N -4.16 1.30 -0.99 0.24 0.04 -1.26 -2.72 135.00 127.45 2k9z s PRO 69 Ca 0.63 -0.79 -0.23 0.00 0.04 0.00 0.00 61.00 60.65 2k9z s PRO 69 Cb -0.16 -2.13 0.06 0.00 0.04 0.00 0.00 34.50 32.31 2k9z s PRO 69 CO 0.38 -1.81 1.40 0.21 0.04 0.00 0.00 177.00 177.22 2k9z s LYS 70 N -5.44 3.57 0.00 4.56 2.20 -1.25 -4.00 119.74 119.37 2k9z s LYS 70 Ca 0.69 -1.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.15 2k9z s LYS 70 Cb -0.05 -5.23 0.00 0.00 -1.51 0.00 0.00 37.83 31.04 2k9z s LYS 70 CO 0.48 -2.15 0.00 0.41 -0.36 0.00 0.00 175.35 173.73 2k9z n GLY 71 N 6.63 0.78 3.40 5.54 0.00 -0.21 -4.83 105.19 116.49 2k9z n GLY 71 Ca 0.30 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.05 -0.04 0.99 2.96 -0.16 -5.00 118.68 117.38 2k9z s LEU 72 Ca 0.00 0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 54.21 2k9z s LEU 72 Cb 0.00 2.07 0.03 0.00 0.50 0.00 0.00 46.19 48.79 2k9z s LEU 72 CO 0.00 -0.64 0.01 0.00 -1.32 0.00 0.00 176.35 174.40 2k9z s ARG 73 N -1.90 0.35 0.22 1.98 3.03 -1.26 -0.45 118.95 120.93 2k9z s ARG 73 Ca -0.08 0.12 -0.06 0.00 2.03 0.00 0.00 55.73 57.73 2k9z s ARG 73 Cb -0.01 -0.62 -0.02 0.00 -1.03 0.00 0.00 34.95 33.26 2k9z s ARG 73 CO 0.03 -0.20 0.29 0.00 -1.13 0.00 0.00 175.30 174.29 2k9z s ARG 75 N -4.09 3.28 -0.28 0.00 3.00 -0.25 -1.08 118.95 119.54 2k9z s ARG 75 Ca 0.31 0.85 -0.02 0.00 0.00 0.00 0.00 55.73 56.88 2k9z s ARG 75 Cb 0.03 -2.04 0.09 0.00 0.00 0.00 0.00 34.95 33.04 2k9z s ARG 75 CO 0.11 -0.82 0.09 -1.58 0.00 0.00 0.00 175.30 173.09 2k9z s TRP 76 N -3.11 1.25 -0.38 -0.53 0.52 0.47 -2.98 118.94 114.18 2k9z s TRP 76 Ca 0.57 -1.33 -0.13 0.00 0.02 0.00 0.00 56.10 55.22 2k9z s TRP 76 Cb -0.12 -1.37 0.01 0.00 -1.15 0.00 0.00 33.47 30.83 2k9z s TRP 76 CO 0.54 -0.80 0.26 0.21 0.02 0.00 0.00 176.95 177.18 2k9z s LYS 77 N 1.78 3.16 -0.54 4.98 2.20 -0.06 -0.98 119.74 130.28 2k9z s LYS 77 Ca 0.07 -0.88 -0.25 0.00 -0.36 0.00 0.00 55.97 54.55 2k9z s LYS 77 Cb -0.17 -3.86 0.04 0.00 -1.51 0.00 0.00 37.83 32.32 2k9z s LYS 77 CO -0.23 -0.62 1.00 0.08 -0.36 0.00 0.00 175.35 175.22 2k9z s VAL 78 N 1.68 4.32 -0.11 4.02 1.01 0.08 -0.75 120.40 130.65 2k9z s VAL 78 Ca 0.05 0.50 0.15 0.00 0.00 0.00 0.00 61.98 62.68 2k9z s VAL 78 Cb -0.18 -4.56 -0.07 0.00 0.00 0.00 0.00 36.38 31.57 2k9z s VAL 78 CO 0.10 -1.12 1.11 -0.07 0.00 0.00 0.00 175.10 175.12 2k9z h LEU 79 N 11.11 0.00 -7.59 3.92 3.38 -1.54 -3.20 115.31 121.39 2k9z h LEU 79 Ca -0.25 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 2k9z h LEU 79 Cb 1.07 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.61 2k9z h LEU 79 CO 1.10 0.60 -0.36 -1.61 0.09 0.00 0.00 178.44 178.26 2k9z s GLU 80 N -2.91 0.58 -0.69 1.13 2.02 -0.64 -4.91 118.70 113.29 2k9z s GLU 80 Ca 0.00 -0.23 -0.26 0.00 0.02 0.00 0.00 54.97 54.50 2k9z s GLU 80 Cb 0.08 0.25 -0.07 0.00 0.10 0.00 0.00 34.13 34.50 2k9z s GLU 80 CO 0.79 -0.15 2.18 -1.25 0.02 0.00 0.00 175.26 176.84 2k9z s PRO 81 N -1.26 2.19 0.52 0.39 0.04 -1.26 -2.69 135.00 132.93 2k9z s PRO 81 Ca -0.13 0.61 -0.20 0.00 0.04 0.00 0.00 61.00 61.32 2k9z s PRO 81 Cb -0.06 -4.69 -0.07 0.00 0.04 0.00 0.00 34.50 29.72 2k9z s PRO 81 CO 0.03 -3.48 1.10 0.54 0.04 0.00 0.00 177.00 175.23 2k9z s VAL 82 N 11.69 3.35 -0.21 -0.36 0.11 -1.26 -4.24 120.40 129.49 2k9z s VAL 82 Ca 0.83 0.84 0.00 0.00 -2.93 0.00 0.00 61.98 60.73 2k9z s VAL 82 Cb -0.13 -3.34 0.05 0.00 -1.53 0.00 0.00 36.38 31.43 2k9z s VAL 82 CO 0.14 -0.17 -0.06 -0.60 -3.33 0.00 0.00 175.10 171.08 2k9z s ARG 83 N -3.25 1.58 -0.12 1.54 3.52 -0.53 -2.94 118.95 118.76 2k9z s ARG 83 Ca 0.71 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 55.52 2k9z s ARG 83 Cb -0.22 -2.37 0.02 0.00 -1.56 0.00 0.00 34.95 30.83 2k9z s ARG 83 CO 0.25 -0.53 -0.10 -1.59 -0.81 0.00 0.00 175.30 172.52 2k9z s LYS 84 N 1.49 1.78 -0.31 5.12 0.00 -0.99 -1.89 119.74 124.94 2k9z s LYS 84 Ca -0.03 -0.36 -0.29 0.00 0.00 0.00 0.00 55.97 55.29 2k9z s LYS 84 Cb -0.17 -1.72 -0.02 0.00 0.00 0.00 0.00 37.83 35.92 2k9z s LYS 84 CO -0.07 -0.22 1.70 -1.01 0.00 0.00 0.00 175.35 175.75 2k9z s HIS 85 N 1.52 1.96 0.31 1.78 3.76 -0.80 -3.08 115.29 120.73 2k9z s HIS 85 Ca 0.03 0.60 0.06 0.00 -0.15 0.00 0.00 55.06 55.60 2k9z s HIS 85 Cb -0.13 -4.13 -0.02 0.00 1.11 0.00 0.00 32.58 29.41 2k9z s HIS 85 CO -0.07 -2.83 0.40 1.52 -0.85 0.00 0.00 174.74 172.91 2k9z s TYR 86 N 6.27 3.16 -0.24 1.40 1.13 -0.83 -1.99 117.35 126.25 2k9z s TYR 86 Ca 0.75 -0.18 -0.05 0.00 -1.41 0.00 0.00 57.07 56.18 2k9z s TYR 86 Cb -0.22 -1.84 0.12 0.00 -1.10 0.00 0.00 41.96 38.93 2k9z s TYR 86 CO 0.33 0.15 0.45 1.21 -2.51 0.00 0.00 175.55 175.18 2k9z s ASN 87 N -4.08 -0.34 0.47 -0.18 2.47 0.27 -3.83 114.94 109.72 2k9z s ASN 87 Ca 0.41 0.80 -0.23 0.00 0.42 0.00 0.00 52.86 54.26 2k9z s ASN 87 Cb -0.09 1.49 -0.07 0.00 -1.45 0.00 0.00 41.25 41.13 2k9z s ASN 87 CO 0.30 -0.26 1.24 -0.76 -3.72 0.00 0.00 177.10 173.90 2k9z s LEU 88 N 2.65 4.01 0.00 3.21 1.43 -1.26 -2.03 118.68 126.70 2k9z s LEU 88 Ca 0.05 2.50 0.00 0.00 -1.03 0.00 0.00 54.13 55.65 2k9z s LEU 88 Cb -0.13 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 41.90 2k9z s LEU 88 CO -0.15 -1.08 0.00 2.22 0.23 0.00 0.00 176.35 177.56