#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k9z n GLU 2 N 0.00 0.00 -2.26 2.12 0.28 -1.26 -5.11 120.64 114.41 2k9z n GLU 2 Ca 0.00 -0.01 -0.00 0.00 -0.16 0.00 0.00 57.16 56.99 2k9z n GLU 2 Cb 0.00 -0.01 -0.00 0.00 1.43 0.00 0.00 31.44 32.86 2k9z n GLU 2 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 177.13 177.25 2k9z n VAL 3 N 0.00 -6.44 -2.08 3.84 0.31 -1.26 -4.91 118.33 107.79 2k9z n VAL 3 Ca 0.00 1.49 -0.42 0.00 -0.01 0.00 0.00 64.34 65.40 2k9z n VAL 3 Cb 0.50 -3.78 -0.03 0.00 -0.91 0.00 0.00 33.84 29.62 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 -0.29 4.28 -0.05 5.55 2.47 -1.14 -4.94 119.74 125.62 2k9z s LYS 4 Ca -0.02 2.19 -0.03 0.00 -1.56 0.00 0.00 55.97 56.55 2k9z s LYS 4 Cb 0.00 -3.20 0.03 0.00 -1.46 0.00 0.00 37.83 33.20 2k9z s LYS 4 CO 0.05 -0.48 0.13 0.42 0.16 0.00 0.00 175.35 175.63 2k9z s ILE 5 N 0.94 -0.03 0.32 5.43 1.01 -1.26 -1.92 121.20 125.69 2k9z s ILE 5 Ca 0.65 0.10 -0.18 0.00 0.00 0.00 0.00 60.65 61.22 2k9z s ILE 5 Cb -0.40 -0.21 0.03 0.00 0.01 0.00 0.00 42.46 41.90 2k9z s ILE 5 CO 0.32 0.04 0.73 -1.83 0.00 0.00 0.00 174.94 174.21 2k9z s GLU 6 N 0.68 1.96 -0.77 2.79 -1.05 -0.79 -5.00 118.70 116.51 2k9z s GLU 6 Ca -0.05 -1.20 -0.03 0.00 -0.15 0.00 0.00 54.97 53.54 2k9z s GLU 6 Cb -0.07 0.61 0.19 0.00 -0.44 0.00 0.00 34.13 34.42 2k9z s GLU 6 CO -0.03 -0.90 0.63 0.15 0.95 0.00 0.00 175.26 176.06 2k9z s LYS 7 N -3.26 2.99 0.99 -4.83 3.01 -1.26 -0.56 119.74 116.81 2k9z s LYS 7 Ca 0.14 -2.91 -0.12 0.00 -1.01 0.00 0.00 55.97 52.06 2k9z s LYS 7 Cb -0.05 -3.89 0.18 0.00 -1.01 0.00 0.00 37.83 33.07 2k9z s LYS 7 CO 0.09 -1.23 1.10 -1.25 0.51 0.00 0.00 175.35 174.58 2k9z s PRO 8 N -0.71 0.49 0.54 -1.68 0.04 -1.26 -5.03 135.00 127.39 2k9z s PRO 8 Ca 0.22 0.44 -0.20 0.00 0.04 0.00 0.00 61.00 61.51 2k9z s PRO 8 Cb -0.13 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 2k9z s PRO 8 CO -0.08 -2.67 1.13 -0.08 0.04 0.00 0.00 177.00 175.34 2k9z s THR 9 N -3.03 3.15 0.43 1.26 -1.32 -1.26 -4.97 115.64 109.90 2k9z s THR 9 Ca 0.65 0.72 0.12 0.00 -1.21 0.00 0.00 61.69 61.98 2k9z s THR 9 Cb -0.18 -3.30 0.19 0.00 -1.51 0.00 0.00 72.50 67.71 2k9z s THR 9 CO 0.57 -0.15 1.99 1.55 -2.21 0.00 0.00 174.62 176.37 2k9z h PRO 10 N 1.24 0.14 0.30 7.08 0.13 -2.00 -3.27 132.00 135.63 2k9z h PRO 10 Ca -0.50 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 2k9z h PRO 10 Cb 1.26 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2k9z h PRO 10 CO 0.57 0.25 -0.15 0.93 -0.23 0.00 0.00 178.00 179.37 2k9z h GLU 11 N 0.14 -0.39 -0.39 0.86 5.08 -2.00 -1.65 114.58 116.22 2k9z h GLU 11 Ca 0.03 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2k9z h GLU 11 Cb 0.27 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 2k9z h GLU 11 CO 0.01 -0.16 0.04 -0.22 -1.00 0.00 0.00 179.01 177.68 2k9z h LYS 12 N -0.57 0.15 -0.92 2.33 3.64 -1.98 -1.63 116.57 117.58 2k9z h LYS 12 Ca -0.04 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 2k9z h LYS 12 Cb 0.42 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 2k9z h LYS 12 CO 0.07 0.10 0.59 -0.07 -2.27 0.00 0.00 179.45 177.86 2k9z h LEU 13 N 0.15 0.96 -0.31 5.20 3.38 -1.57 -0.30 115.31 122.82 2k9z h LEU 13 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2k9z h LEU 13 Cb 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2k9z h LEU 13 CO -0.29 0.64 0.20 0.11 0.09 0.00 0.00 178.44 179.19 2k9z h LYS 14 N 1.11 0.40 -0.45 1.13 6.56 -0.39 -3.03 116.57 121.90 2k9z h LYS 14 Ca 0.38 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.96 2k9z h LYS 14 Cb 0.08 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.62 2k9z h LYS 14 CO -0.14 0.27 0.28 0.93 -2.06 0.00 0.00 179.45 178.72 2k9z h GLU 15 N 0.41 0.54 0.00 3.15 5.08 -0.50 -1.31 114.58 121.96 2k9z h GLU 15 Ca 0.11 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2k9z h GLU 15 Cb -0.04 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.08 2k9z h GLU 15 CO -0.03 0.36 0.09 1.28 -1.00 0.00 0.00 179.01 179.71 2k9z n LEU 16 N -4.81 0.20 -2.94 1.33 4.77 -0.25 -4.84 117.00 110.47 2k9z n LEU 16 Ca 0.02 0.54 -0.19 0.00 -0.03 0.00 0.00 56.01 56.35 2k9z n LEU 16 Cb 0.05 -0.55 0.06 0.00 -2.33 0.00 0.00 43.42 40.65 2k9z n LEU 16 CO 0.33 -0.61 0.19 -1.20 -1.33 0.00 0.00 177.39 174.77 2k9z n SER 17 N -1.75 -5.49 0.22 -1.43 7.64 -0.49 -4.91 113.62 107.41 2k9z n SER 17 Ca -0.01 -0.42 0.15 0.00 1.01 0.00 0.00 58.87 59.61 2k9z n SER 17 Cb 0.10 -4.11 0.81 0.00 -1.01 0.00 0.00 64.21 60.00 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 -2.12 0.60 0.00 0.44 2.07 -1.79 0.79 116.25 116.25 2k9z h VAL 18 Ca -0.45 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2k9z h VAL 18 Cb 1.29 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2k9z h VAL 18 CO 0.45 0.00 -0.00 1.05 0.02 0.00 0.00 177.57 179.08 2k9z h GLU 19 N 0.00 0.00 -0.30 1.57 4.11 -1.90 -1.30 114.58 116.76 2k9z h GLU 19 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 2k9z h GLU 19 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2k9z h GLU 19 CO -0.00 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.71 2k9z n LYS 20 N -3.16 2.35 -2.65 1.06 5.02 0.27 -4.95 118.16 116.10 2k9z n LYS 20 Ca -0.02 -2.02 -0.27 0.00 -2.02 0.00 0.00 58.31 53.97 2k9z n LYS 20 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 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 -1.63 3.54 0.19 2.13 0.52 -0.49 -5.05 118.94 118.15 2k9z s TRP 21 Ca 0.36 0.78 -0.30 0.00 0.02 0.00 0.00 56.10 56.96 2k9z s TRP 21 Cb 0.22 -2.31 -0.09 0.00 -1.15 0.00 0.00 33.47 30.14 2k9z s TRP 21 CO 0.31 -0.30 1.33 -1.25 0.02 0.00 0.00 176.95 177.05 2k9z s PRO 22 N -4.74 4.37 0.45 4.98 0.04 -1.24 -4.90 135.00 133.97 2k9z s PRO 22 Ca 0.47 2.07 -0.22 0.00 0.04 0.00 0.00 61.00 63.36 2k9z s PRO 22 Cb -0.10 -3.20 -0.08 0.00 0.04 0.00 0.00 34.50 31.16 2k9z s PRO 22 CO 0.45 -0.29 1.08 0.42 0.04 0.00 0.00 177.00 178.70 2k9z s ILE 23 N 0.25 3.55 -0.10 0.56 1.01 -1.26 -2.35 121.20 122.87 2k9z s ILE 23 Ca 0.58 1.09 -0.04 0.00 0.00 0.00 0.00 60.65 62.28 2k9z s ILE 23 Cb -0.37 -3.51 0.05 0.00 0.01 0.00 0.00 42.46 38.64 2k9z s ILE 23 CO 0.37 -0.09 0.19 0.86 0.00 0.00 0.00 174.94 176.27 2k9z s TRP 24 N -1.74 -0.25 0.44 3.97 -0.00 -1.07 -4.95 118.94 115.35 2k9z s TRP 24 Ca 0.63 0.70 0.05 0.00 -0.00 0.00 0.00 56.10 57.49 2k9z s TRP 24 Cb -0.22 -0.19 0.01 0.00 -0.00 0.00 0.00 33.47 33.07 2k9z s TRP 24 CO 0.27 -0.29 0.61 -1.83 -0.00 0.00 0.00 176.95 175.71 2k9z s GLU 25 N 2.26 2.84 0.19 5.86 -1.05 -1.26 -2.33 118.70 125.21 2k9z s GLU 25 Ca 0.02 -1.02 -0.14 0.00 -0.15 0.00 0.00 54.97 53.69 2k9z s GLU 25 Cb -0.12 -2.69 0.01 0.00 -0.44 0.00 0.00 34.13 30.89 2k9z s GLU 25 CO -0.07 -0.31 0.43 0.21 0.95 0.00 0.00 175.26 176.47 2k9z s LYS 26 N -4.43 1.32 0.92 -4.83 2.36 -1.18 -5.00 119.74 108.91 2k9z s LYS 26 Ca 0.53 -1.04 -0.14 0.00 -2.55 0.00 0.00 55.97 52.77 2k9z s LYS 26 Cb -0.10 0.46 0.15 0.00 -1.05 0.00 0.00 37.83 37.29 2k9z s LYS 26 CO 0.34 -0.54 1.19 -1.21 1.55 0.00 0.00 175.35 176.69 2k9z s GLU 27 N -3.93 1.01 -1.01 4.03 8.01 -1.26 -4.24 118.70 121.31 2k9z s GLU 27 Ca 0.14 0.04 -0.01 0.00 0.01 0.00 0.00 54.97 55.16 2k9z s GLU 27 Cb 0.01 -1.85 0.32 0.00 -4.31 0.00 0.00 34.13 28.30 2k9z s GLU 27 CO 0.00 -2.24 1.83 0.28 0.01 0.00 0.00 175.26 175.14 2k9z n VAL 28 N -3.75 5.91 -4.41 2.63 0.31 -1.26 -4.71 118.33 113.06 2k9z n VAL 28 Ca 0.10 -5.87 -0.21 0.00 -0.01 0.00 0.00 64.34 58.34 2k9z n VAL 28 Cb 0.60 -1.53 -0.06 0.00 -0.91 0.00 0.00 33.84 31.94 2k9z n VAL 28 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2k9z n SER 29 N -0.10 0.92 -4.34 4.52 2.88 -1.19 -4.94 113.62 111.38 2k9z n SER 29 Ca 0.47 -2.89 -0.26 0.00 -1.33 0.00 0.00 58.87 54.86 2k9z n SER 29 Cb 0.26 0.98 -0.13 0.00 -0.75 0.00 0.00 64.21 64.58 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 -3.32 1.27 0.00 -1.46 -1.05 -1.26 -0.48 118.70 112.40 2k9z s GLU 30 Ca 0.20 -1.28 0.00 0.00 -0.15 0.00 0.00 54.97 53.74 2k9z s GLU 30 Cb 0.01 -1.63 0.00 0.00 -0.44 0.00 0.00 34.13 32.07 2k9z s GLU 30 CO 0.14 0.38 0.00 1.97 0.95 0.00 0.00 175.26 178.70 2k9z n PHE 31 N 0.90 -0.40 -4.21 4.83 1.16 -0.17 -5.01 117.46 114.57 2k9z n PHE 31 Ca -0.18 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.24 2k9z n PHE 31 Cb 0.54 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.30 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 0.56 1.75 0.02 5.98 1.47 -1.26 -1.36 116.67 123.83 2k9z s ASP 32 Ca 0.00 -0.80 -0.06 0.00 1.18 0.00 0.00 52.55 52.87 2k9z s ASP 32 Cb 0.00 -0.04 -0.01 0.00 -0.34 0.00 0.00 42.92 42.54 2k9z s ASP 32 CO 0.00 -0.19 0.11 0.86 0.68 0.00 0.00 175.17 176.63 2k9z s TRP 33 N -2.21 0.12 0.14 2.11 -0.11 -0.60 -4.81 118.94 113.58 2k9z s TRP 33 Ca 0.07 -0.32 0.08 0.00 1.22 0.00 0.00 56.10 57.15 2k9z s TRP 33 Cb -0.04 -0.10 -0.04 0.00 -1.50 0.00 0.00 33.47 31.79 2k9z s TRP 33 CO 0.02 -0.32 -0.19 -0.47 -4.62 0.00 0.00 176.95 171.36 2k9z s TYR 34 N -1.96 1.82 -0.30 5.86 6.14 -1.26 -1.57 117.35 126.08 2k9z s TYR 34 Ca -0.10 -0.45 0.02 0.00 0.64 0.00 0.00 57.07 57.18 2k9z s TYR 34 Cb -0.05 -0.94 0.08 0.00 0.42 0.00 0.00 41.96 41.47 2k9z s TYR 34 CO -0.01 0.29 0.01 0.71 0.64 0.00 0.00 175.55 177.18 2k9z s TYR 35 N -1.70 3.00 -1.07 4.97 2.02 0.19 -4.95 117.35 119.81 2k9z s TYR 35 Ca 0.12 -2.38 0.17 0.00 -0.37 0.00 0.00 57.07 54.61 2k9z s TYR 35 Cb -0.07 -2.24 0.57 0.00 -0.40 0.00 0.00 41.96 39.81 2k9z s TYR 35 CO 0.06 -0.89 1.49 -3.47 -1.57 0.00 0.00 175.55 171.17 2k9z n ASP 36 N 4.48 4.03 -3.93 2.29 2.03 -1.26 -0.17 116.55 124.02 2k9z n ASP 36 Ca -0.04 -2.34 -0.09 0.00 0.52 0.00 0.00 54.79 52.84 2k9z n ASP 36 Cb 0.42 -0.47 -0.05 0.00 -0.72 0.00 0.00 41.12 40.31 2k9z n ASP 36 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2k9z s THR 37 N -1.62 0.00 0.25 5.18 -4.23 -1.26 -4.69 115.64 109.26 2k9z s THR 37 Ca 0.42 -1.43 -0.30 0.00 -1.18 0.00 0.00 61.69 59.21 2k9z s THR 37 Cb 0.26 -2.26 -0.09 0.00 1.34 0.00 0.00 72.50 71.75 2k9z s THR 37 CO 0.21 0.00 1.30 0.20 -0.54 0.00 0.00 174.62 175.80 2k9z s ASN 38 N -3.04 6.88 -0.07 3.99 0.01 -1.26 -3.88 114.94 117.56 2k9z s ASN 38 Ca 0.23 2.49 0.00 0.00 -0.71 0.00 0.00 52.86 54.87 2k9z s ASN 38 Cb -0.01 -2.62 0.02 0.00 0.41 0.00 0.00 41.25 39.06 2k9z s ASN 38 CO 0.10 -0.51 -0.04 -0.70 -1.51 0.00 0.00 177.10 174.44 2k9z s GLU 39 N -0.69 0.99 -0.13 -0.60 2.12 -1.04 -1.54 118.70 117.81 2k9z s GLU 39 Ca 0.54 -0.09 -0.08 0.00 0.36 0.00 0.00 54.97 55.69 2k9z s GLU 39 Cb -0.37 -1.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.87 2k9z s GLU 39 CO 0.43 -0.19 0.16 0.99 -0.54 0.00 0.00 175.26 176.11 2k9z s THR 40 N 1.43 5.45 0.02 -1.70 2.01 -0.85 -1.16 115.64 120.84 2k9z s THR 40 Ca -0.02 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.25 2k9z s THR 40 Cb -0.13 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 2k9z s THR 40 CO -0.03 0.58 -0.05 0.00 -0.69 0.00 0.00 174.62 174.42 2k9z s TYR 42 N -1.15 2.92 -0.24 0.00 5.04 -0.29 -1.90 117.35 121.72 2k9z s TYR 42 Ca -0.10 -0.68 -0.15 0.00 -2.44 0.00 0.00 57.07 53.70 2k9z s TYR 42 Cb -0.08 -1.97 -0.04 0.00 0.35 0.00 0.00 41.96 40.22 2k9z s TYR 42 CO -0.00 -0.30 0.36 0.42 -1.34 0.00 0.00 175.55 174.69 2k9z s ILE 43 N 0.80 5.20 -0.11 3.14 -1.09 -1.26 -0.87 121.20 126.99 2k9z s ILE 43 Ca -0.03 0.59 0.14 0.00 -2.23 0.00 0.00 60.65 59.12 2k9z s ILE 43 Cb -0.15 -3.69 -0.20 0.00 -1.58 0.00 0.00 42.46 36.84 2k9z s ILE 43 CO 0.01 0.21 0.12 0.18 -1.23 0.00 0.00 174.94 174.23 2k9z n LEU 44 N 4.93 0.00 -3.50 2.97 7.99 -0.56 -1.96 117.00 126.87 2k9z n LEU 44 Ca -0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.80 2k9z n LEU 44 Cb 0.51 0.27 -0.03 0.00 -0.11 0.00 0.00 43.42 44.06 2k9z n LEU 44 CO 0.38 0.27 0.60 -1.83 -1.51 0.00 0.00 177.39 175.31 2k9z s GLU 45 N -2.54 0.91 0.00 3.23 -1.05 -1.21 -4.78 118.70 113.27 2k9z s GLU 45 Ca -0.07 -0.17 0.00 0.00 -0.15 0.00 0.00 54.97 54.58 2k9z s GLU 45 Cb 0.06 0.42 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 2k9z s GLU 45 CO 0.61 -0.37 0.00 0.41 0.95 0.00 0.00 175.26 176.87 2k9z n GLY 46 N 0.08 -0.38 2.96 -3.83 0.00 -1.26 -1.55 105.19 101.20 2k9z n GLY 46 Ca -0.12 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 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 0.48 0.02 1.61 2.36 -1.03 -4.29 119.74 117.69 2k9z s LYS 47 Ca 0.00 -0.19 0.02 0.00 -2.55 0.00 0.00 55.97 53.25 2k9z s LYS 47 Cb 0.00 -0.47 -0.02 0.00 -1.05 0.00 0.00 37.83 36.29 2k9z s LYS 47 CO 0.00 0.10 -0.07 0.08 1.55 0.00 0.00 175.35 177.02 2k9z s VAL 48 N -0.03 0.47 -0.25 4.02 1.01 -1.25 -1.38 120.40 122.99 2k9z s VAL 48 Ca 0.01 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.22 2k9z s VAL 48 Cb -0.03 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.87 2k9z s VAL 48 CO -0.00 -0.19 -0.02 -1.61 0.00 0.00 0.00 175.10 173.27 2k9z s GLU 49 N -1.00 3.08 -0.22 2.72 2.02 -0.97 -2.86 118.70 121.47 2k9z s GLU 49 Ca -0.05 -0.83 -0.19 0.00 0.02 0.00 0.00 54.97 53.92 2k9z s GLU 49 Cb -0.07 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 31.06 2k9z s GLU 49 CO 0.00 -0.34 0.56 0.08 0.02 0.00 0.00 175.26 175.58 2k9z s VAL 50 N 1.42 5.06 -0.28 2.63 1.01 0.29 -1.23 120.40 129.29 2k9z s VAL 50 Ca 0.03 1.01 0.02 0.00 0.00 0.00 0.00 61.98 63.04 2k9z s VAL 50 Cb -0.16 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.43 2k9z s VAL 50 CO -0.03 0.12 -0.02 -0.89 0.00 0.00 0.00 175.10 174.29 2k9z s THR 51 N 2.00 1.80 1.06 3.92 2.01 -0.43 0.16 115.64 126.16 2k9z s THR 51 Ca 0.25 -1.66 -0.14 0.00 0.31 0.00 0.00 61.69 60.44 2k9z s THR 51 Cb -0.16 -2.14 0.22 0.00 0.01 0.00 0.00 72.50 70.44 2k9z s THR 51 CO 0.09 -0.31 1.10 0.42 -0.69 0.00 0.00 174.62 175.23 2k9z s THR 52 N 1.22 1.90 -0.93 -0.82 -4.23 -0.48 -0.39 115.64 111.91 2k9z s THR 52 Ca 0.00 0.00 0.28 0.00 -1.18 0.00 0.00 61.69 60.80 2k9z s THR 52 Cb -0.19 -2.49 0.25 0.00 1.34 0.00 0.00 72.50 71.41 2k9z s THR 52 CO -0.09 0.00 1.88 -1.84 -0.54 0.00 0.00 174.62 174.03 2k9z n GLU 53 N -4.36 0.07 0.02 3.99 0.28 -1.26 -1.74 120.64 117.64 2k9z n GLU 53 Ca 0.07 0.05 0.05 0.00 -0.16 0.00 0.00 57.16 57.17 2k9z n GLU 53 Cb 0.58 -1.58 0.22 0.00 1.43 0.00 0.00 31.44 32.09 2k9z n GLU 53 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2k9z n ASP 54 N -1.69 0.10 0.00 -1.84 2.03 -1.26 -4.87 116.55 109.01 2k9z n ASP 54 Ca 0.07 0.53 0.00 0.00 0.52 0.00 0.00 54.79 55.91 2k9z n ASP 54 Cb 0.36 -0.55 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 2k9z n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k9z n GLY 55 N -0.73 1.46 3.68 0.27 0.00 -0.71 -5.02 105.19 104.15 2k9z n GLY 55 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.49 4.15 -0.22 1.61 -0.14 -1.26 -4.77 119.74 118.62 2k9z s LYS 56 Ca 0.00 2.55 -0.10 0.00 -1.36 0.00 0.00 55.97 57.06 2k9z s LYS 56 Cb 0.00 -3.72 -0.05 0.00 -1.68 0.00 0.00 37.83 32.38 2k9z s LYS 56 CO 0.00 -0.85 0.14 -1.59 -0.76 0.00 0.00 175.35 172.29 2k9z s LYS 57 N 3.11 4.14 -0.58 1.68 0.00 -1.26 -1.38 119.74 125.45 2k9z s LYS 57 Ca 0.81 -0.24 0.04 0.00 0.00 0.00 0.00 55.97 56.59 2k9z s LYS 57 Cb -0.44 -3.47 0.15 0.00 0.00 0.00 0.00 37.83 34.07 2k9z s LYS 57 CO 0.37 0.20 0.38 0.71 0.00 0.00 0.00 175.35 177.00 2k9z s TYR 58 N 0.66 2.90 0.47 1.78 2.02 0.12 -4.97 117.35 120.33 2k9z s TYR 58 Ca 0.08 -3.02 -0.22 0.00 -0.37 0.00 0.00 57.07 53.54 2k9z s TYR 58 Cb -0.12 -2.36 -0.08 0.00 -0.40 0.00 0.00 41.96 39.00 2k9z s TYR 58 CO 0.01 -0.66 1.09 0.54 -1.57 0.00 0.00 175.55 174.95 2k9z s VAL 59 N -0.70 3.50 -0.14 0.71 0.11 -1.26 -0.55 120.40 122.08 2k9z s VAL 59 Ca 0.23 1.02 -0.06 0.00 -2.93 0.00 0.00 61.98 60.24 2k9z s VAL 59 Cb -0.12 -3.47 0.06 0.00 -1.53 0.00 0.00 36.38 31.33 2k9z s VAL 59 CO -0.10 -0.12 0.30 0.27 -3.33 0.00 0.00 175.10 172.12 2k9z s ILE 60 N -1.77 -0.25 0.81 7.04 -4.36 -1.13 -4.96 121.20 116.57 2k9z s ILE 60 Ca 0.65 0.19 -0.05 0.00 -0.26 0.00 0.00 60.65 61.18 2k9z s ILE 60 Cb -0.22 -0.48 0.16 0.00 1.25 0.00 0.00 42.46 43.17 2k9z s ILE 60 CO 0.26 0.08 1.11 -1.83 0.24 0.00 0.00 174.94 174.80 2k9z s GLU 61 N 1.87 1.28 -0.14 0.37 -1.05 -1.26 -3.74 118.70 116.01 2k9z s GLU 61 Ca -0.05 -0.94 -0.02 0.00 -0.15 0.00 0.00 54.97 53.81 2k9z s GLU 61 Cb -0.11 -2.17 -0.04 0.00 -0.44 0.00 0.00 34.13 31.37 2k9z s GLU 61 CO -0.10 -1.81 1.24 0.36 0.95 0.00 0.00 175.26 175.90 2k9z n LYS 62 N -3.15 0.55 0.00 -4.83 2.85 -1.26 -1.90 118.16 110.41 2k9z n LYS 62 Ca 0.16 -0.48 0.00 0.00 -1.05 0.00 0.00 58.31 56.94 2k9z n LYS 62 Cb 0.60 -1.85 0.00 0.00 -0.65 0.00 0.00 35.03 33.13 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 0.00 3.56 2.58 0.00 -0.83 -4.68 105.19 109.17 2k9z n GLY 63 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 5.34 0.30 1.61 1.01 -0.80 -4.48 116.67 119.66 2k9z s ASP 64 Ca 0.00 0.54 -0.28 0.00 0.71 0.00 0.00 52.55 53.51 2k9z s ASP 64 Cb 0.00 -2.53 -0.09 0.00 1.01 0.00 0.00 42.92 41.31 2k9z s ASP 64 CO 0.00 -2.28 1.08 -0.22 0.21 0.00 0.00 175.17 173.96 2k9z s LEU 65 N 8.84 4.48 0.24 1.23 2.96 0.27 -4.27 118.68 132.43 2k9z s LEU 65 Ca 0.71 2.21 0.09 0.00 -0.22 0.00 0.00 54.13 56.92 2k9z s LEU 65 Cb -0.14 -3.73 -0.05 0.00 0.50 0.00 0.00 46.19 42.76 2k9z s LEU 65 CO 0.23 -0.19 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.22 2k9z s VAL 66 N -1.26 2.04 -0.19 1.68 1.01 -0.80 -1.89 120.40 120.99 2k9z s VAL 66 Ca 0.47 -2.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.12 2k9z s VAL 66 Cb -0.30 -2.18 0.08 0.00 0.00 0.00 0.00 36.38 33.99 2k9z s VAL 66 CO 0.38 -0.50 0.17 -0.89 0.00 0.00 0.00 175.10 174.26 2k9z s THR 67 N -2.78 -0.24 0.40 3.92 2.01 -0.81 -3.00 115.64 115.15 2k9z s THR 67 Ca 0.26 -0.14 -0.22 0.00 0.31 0.00 0.00 61.69 61.90 2k9z s THR 67 Cb -0.02 -0.64 -0.11 0.00 0.01 0.00 0.00 72.50 71.74 2k9z s THR 67 CO 0.10 -0.24 0.95 -0.36 -0.69 0.00 0.00 174.62 174.39 2k9z s PHE 68 N 2.26 3.42 0.83 4.92 0.08 -0.31 -2.87 117.98 126.31 2k9z s PHE 68 Ca 0.05 1.66 -0.07 0.00 0.12 0.00 0.00 56.93 58.69 2k9z s PHE 68 Cb -0.16 -2.87 0.16 0.00 -0.57 0.00 0.00 43.02 39.59 2k9z s PHE 68 CO -0.11 -0.02 1.14 -1.25 -0.10 0.00 0.00 175.22 174.88 2k9z s PRO 69 N -2.85 1.18 -1.15 0.24 0.04 -1.26 -2.50 135.00 128.70 2k9z s PRO 69 Ca 0.59 -0.88 -0.17 0.00 0.04 0.00 0.00 61.00 60.57 2k9z s PRO 69 Cb -0.12 -2.13 0.12 0.00 0.04 0.00 0.00 34.50 32.41 2k9z s PRO 69 CO 0.16 -1.89 1.47 0.21 0.04 0.00 0.00 177.00 176.99 2k9z s LYS 70 N -5.46 3.90 0.00 4.56 2.20 -1.25 -4.28 119.74 119.40 2k9z s LYS 70 Ca 0.70 -2.05 0.00 0.00 -0.36 0.00 0.00 55.97 54.27 2k9z s LYS 70 Cb -0.04 -5.22 0.00 0.00 -1.51 0.00 0.00 37.83 31.06 2k9z s LYS 70 CO 0.48 -1.97 0.00 0.41 -0.36 0.00 0.00 175.35 173.91 2k9z n GLY 71 N 5.15 0.50 3.00 5.54 0.00 0.76 -4.83 105.19 115.31 2k9z n GLY 71 Ca 0.37 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.36 0.01 0.99 0.20 -0.26 -4.98 118.68 114.29 2k9z s LEU 72 Ca 0.00 0.50 -0.24 0.00 0.69 0.00 0.00 54.13 55.08 2k9z s LEU 72 Cb 0.00 0.80 -0.05 0.00 -0.43 0.00 0.00 46.19 46.51 2k9z s LEU 72 CO 0.00 -0.26 0.72 -0.60 -0.29 0.00 0.00 176.35 175.92 2k9z s ARG 73 N 2.45 4.45 0.35 1.98 6.06 -1.26 -0.64 118.95 132.34 2k9z s ARG 73 Ca 0.03 0.96 -0.06 0.00 -2.50 0.00 0.00 55.73 54.17 2k9z s ARG 73 Cb -0.13 -3.37 0.01 0.00 0.06 0.00 0.00 34.95 31.52 2k9z s ARG 73 CO -0.10 0.26 0.54 0.00 -2.50 0.00 0.00 175.30 173.50 2k9z s ARG 75 N -2.94 3.43 -0.12 0.00 3.00 0.48 -1.56 118.95 121.23 2k9z s ARG 75 Ca 0.27 -0.50 -0.01 0.00 0.00 0.00 0.00 55.73 55.49 2k9z s ARG 75 Cb -0.01 -2.73 0.04 0.00 0.00 0.00 0.00 34.95 32.24 2k9z s ARG 75 CO 0.18 0.20 -0.03 -1.58 0.00 0.00 0.00 175.30 174.08 2k9z s TRP 76 N -2.23 1.17 -0.35 -0.53 0.52 -0.47 -1.31 118.94 115.75 2k9z s TRP 76 Ca 0.39 -0.63 -0.10 0.00 0.02 0.00 0.00 56.10 55.77 2k9z s TRP 76 Cb -0.09 -1.07 0.02 0.00 -1.15 0.00 0.00 33.47 31.18 2k9z s TRP 76 CO 0.34 -0.49 0.18 0.21 0.02 0.00 0.00 176.95 177.21 2k9z s LYS 77 N 1.81 2.99 -0.97 4.98 2.36 -0.37 -1.00 119.74 129.54 2k9z s LYS 77 Ca 0.03 -0.96 -0.23 0.00 -2.55 0.00 0.00 55.97 52.26 2k9z s LYS 77 Cb -0.14 -3.66 0.06 0.00 -1.05 0.00 0.00 37.83 33.04 2k9z s LYS 77 CO -0.07 -0.60 1.38 0.08 1.55 0.00 0.00 175.35 177.70 2k9z s VAL 78 N 1.57 4.00 0.23 4.02 1.01 0.37 -2.29 120.40 129.31 2k9z s VAL 78 Ca 0.03 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2k9z s VAL 78 Cb -0.18 -5.00 -0.03 0.00 0.00 0.00 0.00 36.38 31.16 2k9z s VAL 78 CO 0.06 -1.87 1.57 -0.07 0.00 0.00 0.00 175.10 174.79 2k9z h LEU 79 N 12.52 0.38 -7.80 3.92 3.38 -1.47 -3.14 115.31 123.10 2k9z h LEU 79 Ca 0.13 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.73 2k9z h LEU 79 Cb 1.02 -0.11 -0.23 0.00 0.09 0.00 0.00 40.66 41.43 2k9z h LEU 79 CO 1.37 0.85 -0.60 -1.61 0.09 0.00 0.00 178.44 178.54 2k9z s GLU 80 N -3.92 0.31 -0.67 1.13 2.02 -0.51 -4.90 118.70 112.16 2k9z s GLU 80 Ca -0.05 -0.32 -0.26 0.00 0.02 0.00 0.00 54.97 54.36 2k9z s GLU 80 Cb 0.12 0.12 -0.09 0.00 0.10 0.00 0.00 34.13 34.39 2k9z s GLU 80 CO 0.81 -0.06 2.29 -1.25 0.02 0.00 0.00 175.26 177.07 2k9z s PRO 81 N -0.99 2.01 0.39 0.39 0.04 -1.26 -2.45 135.00 133.13 2k9z s PRO 81 Ca -0.11 0.75 -0.24 0.00 0.04 0.00 0.00 61.00 61.45 2k9z s PRO 81 Cb -0.06 -4.70 -0.10 0.00 0.04 0.00 0.00 34.50 29.68 2k9z s PRO 81 CO 0.00 -3.69 0.98 0.54 0.04 0.00 0.00 177.00 174.87 2k9z s VAL 82 N 12.62 4.10 -0.18 -0.36 0.11 -1.26 -4.39 120.40 131.03 2k9z s VAL 82 Ca 0.89 1.53 -0.00 0.00 -2.93 0.00 0.00 61.98 61.47 2k9z s VAL 82 Cb -0.14 -3.75 0.04 0.00 -1.53 0.00 0.00 36.38 31.01 2k9z s VAL 82 CO 0.15 -0.06 -0.06 -0.60 -3.33 0.00 0.00 175.10 171.20 2k9z s ARG 83 N -2.61 1.54 -0.01 1.54 3.52 -0.60 -3.08 118.95 119.26 2k9z s ARG 83 Ca 0.57 -0.62 0.03 0.00 -0.13 0.00 0.00 55.73 55.59 2k9z s ARG 83 Cb -0.16 -2.14 -0.01 0.00 -1.56 0.00 0.00 34.95 31.08 2k9z s ARG 83 CO 0.21 -0.45 -0.11 -1.59 -0.81 0.00 0.00 175.30 172.55 2k9z s LYS 84 N 1.57 0.94 -0.36 5.12 0.00 -0.99 -1.49 119.74 124.54 2k9z s LYS 84 Ca -0.00 -0.41 -0.27 0.00 0.00 0.00 0.00 55.97 55.29 2k9z s LYS 84 Cb -0.16 -0.91 0.02 0.00 0.00 0.00 0.00 37.83 36.78 2k9z s LYS 84 CO -0.08 0.24 1.01 -1.01 0.00 0.00 0.00 175.35 175.51 2k9z s HIS 85 N -0.24 3.08 0.33 1.78 3.76 -0.05 -2.58 115.29 121.37 2k9z s HIS 85 Ca 0.04 0.95 0.07 0.00 -0.15 0.00 0.00 55.06 55.96 2k9z s HIS 85 Cb -0.05 -3.75 -0.02 0.00 1.11 0.00 0.00 32.58 29.87 2k9z s HIS 85 CO -0.00 -0.85 0.41 1.52 -0.85 0.00 0.00 174.74 174.97 2k9z s TYR 86 N 3.66 3.04 -0.01 1.40 1.13 -0.99 -1.14 117.35 124.43 2k9z s TYR 86 Ca 0.42 -0.25 -0.18 0.00 -1.41 0.00 0.00 57.07 55.65 2k9z s TYR 86 Cb -0.11 -1.93 0.03 0.00 -1.10 0.00 0.00 41.96 38.85 2k9z s TYR 86 CO 0.19 0.06 0.39 1.21 -2.51 0.00 0.00 175.55 174.89 2k9z s ASN 87 N -4.11 -0.29 0.04 -0.18 2.47 0.28 -3.63 114.94 109.52 2k9z s ASN 87 Ca 0.44 0.18 0.03 0.00 0.42 0.00 0.00 52.86 53.93 2k9z s ASN 87 Cb -0.08 0.37 -0.04 0.00 -1.45 0.00 0.00 41.25 40.05 2k9z s ASN 87 CO 0.29 -0.51 -0.01 -0.76 -3.72 0.00 0.00 177.10 172.39 2k9z s LEU 88 N -1.42 3.44 0.00 3.21 1.43 -1.26 -2.01 118.68 122.07 2k9z s LEU 88 Ca -0.12 -0.11 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2k9z s LEU 88 Cb -0.03 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2k9z s LEU 88 CO 0.04 0.23 0.00 2.22 0.23 0.00 0.00 176.35 179.07