#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 -4.02 0.03 2.13 -1.26 -4.79 120.64 112.73 2k9z n GLU 2 Ca 0.00 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.59 2k9z n GLU 2 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 2k9z n GLU 2 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2k9z s VAL 3 N 0.00 4.94 -0.01 6.31 1.01 -1.26 -4.09 120.40 127.30 2k9z s VAL 3 Ca 0.00 -1.05 0.06 0.00 0.00 0.00 0.00 61.98 60.99 2k9z s VAL 3 Cb 0.00 -3.62 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2k9z s VAL 3 CO 0.00 -0.25 -0.19 -0.75 0.00 0.00 0.00 175.10 173.92 2k9z s LYS 4 N -3.64 1.50 0.02 2.72 2.20 -1.04 -5.03 119.74 116.46 2k9z s LYS 4 Ca 0.33 -0.67 0.01 0.00 -0.36 0.00 0.00 55.97 55.29 2k9z s LYS 4 Cb -0.09 -1.45 -0.02 0.00 -1.51 0.00 0.00 37.83 34.76 2k9z s LYS 4 CO 0.27 0.40 -0.05 0.42 -0.36 0.00 0.00 175.35 176.03 2k9z s ILE 5 N -0.45 0.33 0.19 5.43 1.01 -1.26 -1.13 121.20 125.33 2k9z s ILE 5 Ca 0.07 -0.71 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 2k9z s ILE 5 Cb -0.07 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 42.03 2k9z s ILE 5 CO -0.01 -0.25 0.34 -1.84 0.00 0.00 0.00 174.94 173.18 2k9z n GLU 6 N 2.03 0.48 -3.87 2.79 0.28 -0.66 -5.02 120.64 116.67 2k9z n GLU 6 Ca -0.19 -1.30 -0.29 0.00 -0.16 0.00 0.00 57.16 55.21 2k9z n GLU 6 Cb 0.56 1.42 -0.12 0.00 1.43 0.00 0.00 31.44 34.74 2k9z n GLU 6 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2k9z s LYS 7 N -2.22 2.53 1.11 3.44 3.01 -1.26 -0.73 119.74 125.61 2k9z s LYS 7 Ca 0.12 -3.31 -0.15 0.00 -1.01 0.00 0.00 55.97 51.62 2k9z s LYS 7 Cb -0.02 -3.48 0.24 0.00 -1.01 0.00 0.00 37.83 33.57 2k9z s LYS 7 CO 0.08 -1.27 1.07 -1.25 0.51 0.00 0.00 175.35 174.49 2k9z s PRO 8 N -1.39 -0.47 0.50 -1.68 0.04 -1.26 -4.99 135.00 125.75 2k9z s PRO 8 Ca 0.25 0.40 -0.24 0.00 0.04 0.00 0.00 61.00 61.45 2k9z s PRO 8 Cb -0.06 -1.64 -0.07 0.00 0.04 0.00 0.00 34.50 32.77 2k9z s PRO 8 CO -0.15 -3.31 1.41 -0.08 0.04 0.00 0.00 177.00 174.91 2k9z s THR 9 N -2.84 2.00 0.24 1.26 -1.32 -1.26 -4.91 115.64 108.82 2k9z s THR 9 Ca 0.67 0.00 0.36 0.00 -1.21 0.00 0.00 61.69 61.52 2k9z s THR 9 Cb -0.18 -3.00 0.40 0.00 -1.51 0.00 0.00 72.50 68.21 2k9z s THR 9 CO 0.59 0.00 2.08 1.55 -2.21 0.00 0.00 174.62 176.62 2k9z h PRO 10 N 1.92 0.00 0.04 7.08 0.13 -2.00 -3.26 132.00 135.92 2k9z h PRO 10 Ca -0.51 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2k9z h PRO 10 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2k9z h PRO 10 CO 0.59 0.01 -0.02 0.93 -0.23 0.00 0.00 178.00 179.28 2k9z h GLU 11 N 0.00 -0.05 -0.71 0.86 5.08 -1.98 0.16 114.58 117.93 2k9z h GLU 11 Ca -0.00 0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.44 2k9z h GLU 11 Cb 0.39 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.59 2k9z h GLU 11 CO 0.00 -0.02 0.38 -0.22 -1.00 0.00 0.00 179.01 178.15 2k9z h LYS 12 N -0.06 0.66 -0.13 2.33 1.63 -1.97 -0.79 116.57 118.24 2k9z h LYS 12 Ca -0.01 -0.04 -0.13 0.00 -0.85 0.00 0.00 60.65 59.62 2k9z h LYS 12 Cb 0.05 -0.15 -0.01 0.00 -0.60 0.00 0.00 32.23 31.52 2k9z h LYS 12 CO 0.01 0.44 -0.49 -0.07 -3.45 0.00 0.00 179.45 175.89 2k9z h LEU 13 N 0.68 0.37 -1.65 5.20 3.38 -1.59 -1.05 115.31 120.65 2k9z h LEU 13 Ca 0.34 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2k9z h LEU 13 Cb 0.28 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2k9z h LEU 13 CO -0.22 0.80 0.07 0.11 0.09 0.00 0.00 178.44 179.28 2k9z h LYS 14 N 0.27 0.29 0.18 1.13 6.56 0.53 -3.14 116.57 122.40 2k9z h LYS 14 Ca 0.01 -0.03 -0.01 0.00 -1.06 0.00 0.00 60.65 59.56 2k9z h LYS 14 Cb 0.96 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2k9z h LYS 14 CO 0.08 0.27 -0.09 0.93 -2.06 0.00 0.00 179.45 178.58 2k9z h GLU 15 N 0.30 -0.24 -0.22 3.15 5.08 -0.33 -3.43 114.58 118.89 2k9z h GLU 15 Ca 0.07 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2k9z h GLU 15 Cb 0.09 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2k9z h GLU 15 CO -0.01 0.13 -0.21 1.25 -1.00 0.00 0.00 179.01 179.17 2k9z h LEU 16 N -0.93 -0.74 0.00 1.33 5.85 -1.18 -3.43 115.31 116.21 2k9z h LEU 16 Ca -0.03 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2k9z h LEU 16 Cb 0.48 0.31 0.00 0.00 0.37 0.00 0.00 40.66 41.82 2k9z h LEU 16 CO 0.04 -0.13 0.00 -1.54 -0.34 0.00 0.00 178.44 176.47 2k9z n SER 17 N -3.75 0.00 0.21 1.25 3.41 -1.26 -5.09 113.62 108.39 2k9z n SER 17 Ca -0.01 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 2k9z n SER 17 Cb 0.12 0.00 0.60 0.00 -0.26 0.00 0.00 64.21 64.67 2k9z n SER 17 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2k9z h VAL 18 N 0.00 1.01 0.00 -3.33 2.07 -1.83 0.29 116.25 114.47 2k9z h VAL 18 Ca 0.00 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2k9z h VAL 18 Cb 0.00 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 2k9z h VAL 18 CO 0.00 0.02 -0.00 1.05 0.02 0.00 0.00 177.57 178.66 2k9z h GLU 19 N 0.10 0.00 0.02 1.57 4.11 -1.92 -2.58 114.58 115.88 2k9z h GLU 19 Ca 0.03 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.17 2k9z h GLU 19 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2k9z h GLU 19 CO -0.01 0.00 -1.66 0.87 0.07 0.00 0.00 179.01 178.29 2k9z h LYS 20 N 0.00 0.04 -6.95 1.06 1.57 -0.85 -3.48 116.57 107.96 2k9z h LYS 20 Ca -0.00 -0.07 -0.54 0.00 -1.87 0.00 0.00 60.65 58.17 2k9z h LYS 20 Cb 0.00 0.03 0.19 0.00 0.08 0.00 0.00 32.23 32.53 2k9z h LYS 20 CO 0.00 0.66 -0.12 0.91 -0.57 0.00 0.00 179.45 180.32 2k9z n TRP 21 N -3.15 -0.07 -2.21 -1.35 7.02 -0.98 -4.91 117.44 111.81 2k9z n TRP 21 Ca -0.17 0.34 -0.41 0.00 -1.02 0.00 0.00 57.50 56.25 2k9z n TRP 21 Cb 1.04 -1.96 -0.03 0.00 -2.42 0.00 0.00 31.31 27.95 2k9z n TRP 21 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 2k9z s PRO 22 N -3.67 4.42 0.55 -0.99 0.04 -1.24 -4.85 135.00 129.26 2k9z s PRO 22 Ca 0.66 2.10 -0.19 0.00 0.04 0.00 0.00 61.00 63.62 2k9z s PRO 22 Cb -0.28 -3.12 -0.06 0.00 0.04 0.00 0.00 34.50 31.08 2k9z s PRO 22 CO 0.58 -0.13 1.10 0.42 0.04 0.00 0.00 177.00 179.01 2k9z s ILE 23 N -0.83 3.39 -0.02 0.56 1.01 -1.26 -1.67 121.20 122.38 2k9z s ILE 23 Ca 0.50 0.82 0.01 0.00 0.00 0.00 0.00 60.65 61.98 2k9z s ILE 23 Cb -0.38 -3.32 0.01 0.00 0.01 0.00 0.00 42.46 38.79 2k9z s ILE 23 CO 0.47 -0.23 -0.02 0.86 0.00 0.00 0.00 174.94 176.02 2k9z s TRP 24 N -1.95 0.34 -0.05 3.97 -0.00 -0.52 -4.88 118.94 115.85 2k9z s TRP 24 Ca 0.70 -0.04 -0.02 0.00 -0.00 0.00 0.00 56.10 56.73 2k9z s TRP 24 Cb -0.21 -0.32 0.04 0.00 -0.00 0.00 0.00 33.47 32.98 2k9z s TRP 24 CO 0.28 -0.07 0.09 -1.83 -0.00 0.00 0.00 176.95 175.42 2k9z s GLU 25 N 0.47 -0.04 0.13 5.86 -1.05 -1.26 -1.98 118.70 120.83 2k9z s GLU 25 Ca -0.05 0.43 0.06 0.00 -0.15 0.00 0.00 54.97 55.26 2k9z s GLU 25 Cb -0.08 -0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 33.16 2k9z s GLU 25 CO -0.01 -0.31 0.01 0.15 0.95 0.00 0.00 175.26 176.05 2k9z s LYS 26 N 2.13 2.50 0.92 -4.83 -0.14 -1.23 -5.02 119.74 114.07 2k9z s LYS 26 Ca 0.03 -0.96 -0.11 0.00 -1.36 0.00 0.00 55.97 53.58 2k9z s LYS 26 Cb -0.12 -2.47 0.15 0.00 -1.68 0.00 0.00 37.83 33.71 2k9z s LYS 26 CO -0.04 0.50 1.09 -1.83 -0.76 0.00 0.00 175.35 174.32 2k9z s GLU 27 N -2.63 1.01 0.00 1.68 1.03 -1.26 -3.68 118.70 114.85 2k9z s GLU 27 Ca 0.27 1.07 0.00 0.00 0.03 0.00 0.00 54.97 56.33 2k9z s GLU 27 Cb -0.11 -1.76 0.00 0.00 -0.80 0.00 0.00 34.13 31.46 2k9z s GLU 27 CO 0.19 -2.48 0.43 1.55 -1.33 0.00 0.00 175.26 173.61 2k9z n VAL 28 N -4.08 0.00 -1.46 1.83 3.14 -1.26 -4.78 118.33 111.71 2k9z n VAL 28 Ca 0.08 0.00 -0.04 0.00 -2.96 0.00 0.00 64.34 61.42 2k9z n VAL 28 Cb 0.54 -0.28 0.02 0.00 -1.06 0.00 0.00 33.84 33.06 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 -0.03 0.06 -4.09 6.55 2.88 -1.26 -4.69 113.62 113.04 2k9z n SER 29 Ca 0.00 -1.09 -0.11 0.00 -1.33 0.00 0.00 58.87 56.34 2k9z n SER 29 Cb 0.12 -0.12 -0.11 0.00 -0.75 0.00 0.00 64.21 63.35 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 -3.19 0.60 0.00 -1.46 4.04 -1.26 -2.07 118.70 115.36 2k9z s GLU 30 Ca 0.09 -0.97 0.00 0.00 0.04 0.00 0.00 54.97 54.14 2k9z s GLU 30 Cb -0.00 -0.16 0.00 0.00 0.02 0.00 0.00 34.13 33.99 2k9z s GLU 30 CO 0.07 -0.00 0.00 1.97 -1.84 0.00 0.00 175.26 175.45 2k9z n PHE 31 N 0.87 -0.39 -4.13 4.83 -1.74 -0.19 -5.00 117.46 111.71 2k9z n PHE 31 Ca -0.19 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.58 2k9z n PHE 31 Cb 0.57 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.47 2k9z n PHE 31 CO 0.00 0.00 0.00 0.16 -0.56 0.00 0.00 176.76 176.36 2k9z s ASP 32 N 0.66 1.09 -0.03 5.98 -4.77 -1.26 -0.46 116.67 117.88 2k9z s ASP 32 Ca 0.00 -0.78 -0.00 0.00 -3.30 0.00 0.00 52.55 48.47 2k9z s ASP 32 Cb 0.00 0.05 0.03 0.00 -1.09 0.00 0.00 42.92 41.91 2k9z s ASP 32 CO 0.00 -0.32 0.01 0.86 0.70 0.00 0.00 175.17 176.43 2k9z s TRP 33 N -2.46 0.27 0.00 2.11 -0.11 -0.19 -4.83 118.94 113.74 2k9z s TRP 33 Ca 0.02 0.04 -0.29 0.00 1.22 0.00 0.00 56.10 57.08 2k9z s TRP 33 Cb -0.03 -0.43 -0.03 0.00 -1.50 0.00 0.00 33.47 31.48 2k9z s TRP 33 CO -0.02 -0.15 0.94 -0.47 -4.62 0.00 0.00 176.95 172.63 2k9z s TYR 34 N 1.27 3.66 -0.37 5.86 6.14 -1.26 -2.71 117.35 129.95 2k9z s TYR 34 Ca -0.06 1.65 -0.07 0.00 0.64 0.00 0.00 57.07 59.22 2k9z s TYR 34 Cb -0.13 -3.07 0.06 0.00 0.42 0.00 0.00 41.96 39.24 2k9z s TYR 34 CO -0.02 0.03 0.16 0.71 0.64 0.00 0.00 175.55 177.06 2k9z s TYR 35 N 0.88 3.30 -0.18 4.97 2.02 0.38 -4.97 117.35 123.75 2k9z s TYR 35 Ca 0.49 -1.52 0.16 0.00 -0.37 0.00 0.00 57.07 55.84 2k9z s TYR 35 Cb -0.21 -2.55 0.46 0.00 -0.40 0.00 0.00 41.96 39.26 2k9z s TYR 35 CO 0.27 -0.78 1.34 -0.40 -1.57 0.00 0.00 175.55 174.41 2k9z n ASP 36 N 4.83 3.24 -3.85 2.29 5.75 -1.26 -0.56 116.55 126.99 2k9z n ASP 36 Ca -0.11 -3.14 -0.09 0.00 -0.01 0.00 0.00 54.79 51.44 2k9z n ASP 36 Cb 0.44 -0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 39.97 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 -2.90 0.02 0.08 2.12 -4.23 -1.26 -4.45 115.64 105.02 2k9z s THR 37 Ca 0.39 -1.05 -0.31 0.00 -1.18 0.00 0.00 61.69 59.55 2k9z s THR 37 Cb 0.33 -1.84 -0.08 0.00 1.34 0.00 0.00 72.50 72.25 2k9z s THR 37 CO 0.06 -0.08 1.53 0.20 -0.54 0.00 0.00 174.62 175.78 2k9z s ASN 38 N -2.93 6.70 -0.30 3.99 0.01 -1.26 -3.89 114.94 117.25 2k9z s ASN 38 Ca 0.14 2.40 -0.03 0.00 -0.71 0.00 0.00 52.86 54.66 2k9z s ASN 38 Cb -0.01 -2.57 0.10 0.00 0.41 0.00 0.00 41.25 39.18 2k9z s ASN 38 CO 0.02 -0.79 0.12 -0.70 -1.51 0.00 0.00 177.10 174.24 2k9z s GLU 39 N 2.00 0.41 0.34 -0.60 2.12 -1.07 -1.19 118.70 120.71 2k9z s GLU 39 Ca 0.69 -0.78 -0.27 0.00 0.36 0.00 0.00 54.97 54.97 2k9z s GLU 39 Cb -0.38 -1.50 -0.09 0.00 0.26 0.00 0.00 34.13 32.41 2k9z s GLU 39 CO 0.30 -1.01 1.18 0.99 -0.54 0.00 0.00 175.26 176.18 2k9z s THR 40 N 1.87 3.16 -0.15 -1.70 2.01 -0.74 -1.30 115.64 118.79 2k9z s THR 40 Ca 0.10 1.08 -0.10 0.00 0.31 0.00 0.00 61.69 63.07 2k9z s THR 40 Cb -0.17 -3.65 0.05 0.00 0.01 0.00 0.00 72.50 68.74 2k9z s THR 40 CO -0.31 0.19 0.38 0.00 -0.69 0.00 0.00 174.62 174.19 2k9z s TYR 42 N 0.95 3.41 -0.31 0.00 5.04 -0.02 -1.07 117.35 125.34 2k9z s TYR 42 Ca -0.06 -1.95 -0.29 0.00 -2.44 0.00 0.00 57.07 52.33 2k9z s TYR 42 Cb -0.07 -2.77 0.01 0.00 0.35 0.00 0.00 41.96 39.48 2k9z s TYR 42 CO -0.07 -0.87 1.26 0.42 -1.34 0.00 0.00 175.55 174.94 2k9z s ILE 43 N 1.27 4.20 -0.15 3.14 -1.09 -1.09 -2.70 121.20 124.77 2k9z s ILE 43 Ca 0.02 1.35 0.18 0.00 -2.23 0.00 0.00 60.65 59.98 2k9z s ILE 43 Cb -0.22 -4.22 -0.26 0.00 -1.58 0.00 0.00 42.46 36.18 2k9z s ILE 43 CO -0.01 -0.51 0.18 0.18 -1.23 0.00 0.00 174.94 173.55 2k9z n LEU 44 N 7.54 0.00 -3.52 2.97 4.32 -1.01 -2.39 117.00 124.91 2k9z n LEU 44 Ca 0.14 0.00 -0.16 0.00 -0.02 0.00 0.00 56.01 55.97 2k9z n LEU 44 Cb 0.47 0.35 -0.05 0.00 -1.62 0.00 0.00 43.42 42.56 2k9z n LEU 44 CO 0.63 0.35 0.38 -1.83 -1.22 0.00 0.00 177.39 175.70 2k9z s GLU 45 N -2.75 1.08 0.51 3.23 -1.05 -1.21 -4.80 118.70 113.73 2k9z s GLU 45 Ca -0.09 -0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.72 2k9z s GLU 45 Cb 0.08 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 2k9z s GLU 45 CO 0.82 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 177.06 2k9z n GLY 46 N 0.56 -2.05 3.01 -3.83 0.00 -1.26 -1.85 105.19 99.76 2k9z n GLY 46 Ca -0.19 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.10 0.28 0.00 1.61 2.36 -1.25 -3.50 119.74 119.14 2k9z s LYS 47 Ca 0.00 -0.29 -0.03 0.00 -2.55 0.00 0.00 55.97 53.10 2k9z s LYS 47 Cb 0.00 0.11 -0.01 0.00 -1.05 0.00 0.00 37.83 36.89 2k9z s LYS 47 CO 0.00 -0.06 0.04 0.08 1.55 0.00 0.00 175.35 176.97 2k9z s VAL 48 N -0.91 0.07 -0.13 4.02 1.01 -1.06 -2.80 120.40 120.60 2k9z s VAL 48 Ca -0.10 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2k9z s VAL 48 Cb -0.06 -0.26 0.02 0.00 0.00 0.00 0.00 36.38 36.08 2k9z s VAL 48 CO 0.00 -0.33 -0.16 -1.61 0.00 0.00 0.00 175.10 173.01 2k9z s GLU 49 N -1.02 2.39 -0.25 2.72 2.02 -1.22 -1.39 118.70 121.94 2k9z s GLU 49 Ca -0.11 -0.61 -0.05 0.00 0.02 0.00 0.00 54.97 54.22 2k9z s GLU 49 Cb -0.07 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.08 2k9z s GLU 49 CO 0.00 -0.14 0.01 0.08 0.02 0.00 0.00 175.26 175.23 2k9z s VAL 50 N 1.21 3.57 -0.22 2.63 1.01 -1.03 -1.97 120.40 125.60 2k9z s VAL 50 Ca -0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.29 2k9z s VAL 50 Cb -0.14 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 2k9z s VAL 50 CO -0.06 0.25 -0.03 -0.89 0.00 0.00 0.00 175.10 174.37 2k9z s THR 51 N 1.47 3.52 0.77 3.92 2.01 -1.11 -0.60 115.64 125.62 2k9z s THR 51 Ca 0.04 -0.44 -0.11 0.00 0.31 0.00 0.00 61.69 61.48 2k9z s THR 51 Cb -0.16 -2.61 0.05 0.00 0.01 0.00 0.00 72.50 69.80 2k9z s THR 51 CO -0.01 0.42 1.08 0.42 -0.69 0.00 0.00 174.62 175.84 2k9z s THR 52 N 1.44 3.39 0.39 -0.82 -4.23 -0.11 -0.89 115.64 114.80 2k9z s THR 52 Ca 0.05 0.45 0.12 0.00 -1.18 0.00 0.00 61.69 61.13 2k9z s THR 52 Cb -0.14 -3.12 0.13 0.00 1.34 0.00 0.00 72.50 70.70 2k9z s THR 52 CO -0.02 -0.59 1.88 -0.08 -0.54 0.00 0.00 174.62 175.27 2k9z h GLU 53 N -1.03 0.08 0.00 3.99 4.22 -1.91 -0.95 114.58 118.99 2k9z h GLU 53 Ca -0.46 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 58.96 2k9z h GLU 53 Cb 1.24 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2k9z h GLU 53 CO 0.56 0.35 0.00 0.22 -2.18 0.00 0.00 179.01 177.96 2k9z h ASP 54 N 0.07 0.00 0.00 1.04 1.82 -1.93 -3.46 116.42 113.97 2k9z h ASP 54 Ca 0.01 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.65 2k9z h ASP 54 Cb 0.52 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.53 2k9z h ASP 54 CO 0.04 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.28 2k9z n GLY 55 N -0.84 0.95 3.61 -0.78 0.00 -0.36 -5.05 105.19 102.73 2k9z n GLY 55 Ca -0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 3.37 0.62 1.61 -0.14 -1.26 -4.60 119.74 118.53 2k9z s LYS 56 Ca 0.00 2.15 -0.16 0.00 -1.36 0.00 0.00 55.97 56.60 2k9z s LYS 56 Cb 0.00 -4.32 -0.02 0.00 -1.68 0.00 0.00 37.83 31.81 2k9z s LYS 56 CO 0.00 -1.83 1.11 0.15 -0.76 0.00 0.00 175.35 174.02 2k9z s LYS 57 N 5.89 2.99 0.12 1.68 3.01 -1.26 -0.94 119.74 131.23 2k9z s LYS 57 Ca 0.97 1.43 0.02 0.00 -1.01 0.00 0.00 55.97 57.38 2k9z s LYS 57 Cb -0.35 -1.97 -0.04 0.00 -1.01 0.00 0.00 37.83 34.46 2k9z s LYS 57 CO 0.36 -1.11 -0.05 0.71 0.51 0.00 0.00 175.35 175.77 2k9z s TYR 58 N -2.20 0.99 0.12 3.18 1.51 0.23 -4.95 117.35 116.22 2k9z s TYR 58 Ca 0.68 -0.92 0.09 0.00 -1.01 0.00 0.00 57.07 55.91 2k9z s TYR 58 Cb -0.21 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.04 2k9z s TYR 58 CO 0.37 -0.14 -0.23 0.08 -1.11 0.00 0.00 175.55 174.52 2k9z s VAL 59 N -3.61 1.94 -0.05 0.71 1.01 -1.26 -2.46 120.40 116.67 2k9z s VAL 59 Ca 0.15 -1.64 -0.02 0.00 0.00 0.00 0.00 61.98 60.46 2k9z s VAL 59 Cb 0.05 -1.74 0.04 0.00 0.00 0.00 0.00 36.38 34.73 2k9z s VAL 59 CO -0.02 -0.01 0.11 0.27 0.00 0.00 0.00 175.10 175.44 2k9z s ILE 60 N -1.16 -0.11 0.62 2.22 -4.36 -0.49 -4.96 121.20 112.96 2k9z s ILE 60 Ca 0.10 0.27 0.03 0.00 -0.26 0.00 0.00 60.65 60.79 2k9z s ILE 60 Cb -0.10 -0.20 0.09 0.00 1.25 0.00 0.00 42.46 43.50 2k9z s ILE 60 CO 0.05 0.11 0.86 -1.83 0.24 0.00 0.00 174.94 174.37 2k9z s GLU 61 N 1.54 2.13 -0.18 0.37 -1.05 -1.26 -2.57 118.70 117.68 2k9z s GLU 61 Ca -0.04 -1.19 -0.25 0.00 -0.15 0.00 0.00 54.97 53.34 2k9z s GLU 61 Cb -0.12 -2.48 -0.28 0.00 -0.44 0.00 0.00 34.13 30.80 2k9z s GLU 61 CO -0.05 -1.03 1.60 0.36 0.95 0.00 0.00 175.26 177.10 2k9z n LYS 62 N -2.49 0.36 0.00 -4.83 2.85 -1.23 -2.10 118.16 110.72 2k9z n LYS 62 Ca 0.13 -1.12 0.00 0.00 -1.05 0.00 0.00 58.31 56.27 2k9z n LYS 62 Cb 0.60 -2.52 0.00 0.00 -0.65 0.00 0.00 35.03 32.46 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 4.75 0.00 3.74 2.58 0.00 -1.00 -4.86 105.19 110.40 2k9z n GLY 63 Ca 0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.03 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 7.53 -0.10 1.61 1.01 -0.89 -4.46 116.67 121.36 2k9z s ASP 64 Ca 0.00 1.82 -0.04 0.00 0.71 0.00 0.00 52.55 55.05 2k9z s ASP 64 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 2k9z s ASP 64 CO 0.00 0.00 0.05 -0.22 0.21 0.00 0.00 175.17 175.21 2k9z s LEU 65 N -0.34 3.84 0.24 1.23 2.96 0.09 -2.67 118.68 124.02 2k9z s LEU 65 Ca 0.45 0.24 0.11 0.00 -0.22 0.00 0.00 54.13 54.71 2k9z s LEU 65 Cb -0.24 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 2k9z s LEU 65 CO 0.30 0.37 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.84 2k9z s VAL 66 N -0.83 2.67 -0.28 1.68 1.01 -0.23 -1.65 120.40 122.77 2k9z s VAL 66 Ca 0.13 -2.12 -0.03 0.00 0.00 0.00 0.00 61.98 59.96 2k9z s VAL 66 Cb -0.12 -2.36 0.09 0.00 0.00 0.00 0.00 36.38 34.00 2k9z s VAL 66 CO 0.03 -0.27 0.11 -0.89 0.00 0.00 0.00 175.10 174.08 2k9z s THR 67 N -2.11 0.14 0.58 3.92 2.01 -0.28 -1.34 115.64 118.56 2k9z s THR 67 Ca 0.27 -0.81 -0.17 0.00 0.31 0.00 0.00 61.69 61.29 2k9z s THR 67 Cb -0.07 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 2k9z s THR 67 CO 0.14 -0.64 1.08 -0.36 -0.69 0.00 0.00 174.62 174.14 2k9z s PHE 68 N 2.00 2.87 0.79 4.92 0.08 -0.42 -2.51 117.98 125.71 2k9z s PHE 68 Ca 0.08 1.53 -0.09 0.00 0.12 0.00 0.00 56.93 58.57 2k9z s PHE 68 Cb -0.16 -3.09 0.11 0.00 -0.57 0.00 0.00 43.02 39.31 2k9z s PHE 68 CO -0.30 -1.25 1.12 -1.25 -0.10 0.00 0.00 175.22 173.44 2k9z s PRO 69 N -3.83 1.67 -1.00 0.24 0.04 -1.26 -2.60 135.00 128.25 2k9z s PRO 69 Ca 0.66 -0.36 -0.23 0.00 0.04 0.00 0.00 61.00 61.11 2k9z s PRO 69 Cb -0.18 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2k9z s PRO 69 CO 0.34 -1.64 1.42 0.21 0.04 0.00 0.00 177.00 177.37 2k9z s LYS 70 N -5.46 3.57 0.00 4.56 2.20 -1.25 -4.06 119.74 119.31 2k9z s LYS 70 Ca 0.65 -1.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.13 2k9z s LYS 70 Cb -0.08 -5.28 0.00 0.00 -1.51 0.00 0.00 37.83 30.96 2k9z s LYS 70 CO 0.48 -2.18 0.00 0.41 -0.36 0.00 0.00 175.35 173.70 2k9z n GLY 71 N 6.74 0.83 3.20 5.54 0.00 -0.04 -4.79 105.19 116.66 2k9z n GLY 71 Ca 0.31 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 1.24 -0.28 0.99 2.96 0.27 -4.75 118.68 119.12 2k9z s LEU 72 Ca 0.00 -0.32 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 2k9z s LEU 72 Cb 0.00 1.05 0.12 0.00 0.50 0.00 0.00 46.19 47.86 2k9z s LEU 72 CO 0.00 -0.57 0.22 0.00 -1.32 0.00 0.00 176.35 174.68 2k9z s ARG 73 N -2.55 0.25 0.11 1.98 1.70 -1.26 -0.47 118.95 118.71 2k9z s ARG 73 Ca -0.05 -0.26 -0.07 0.00 -0.47 0.00 0.00 55.73 54.89 2k9z s ARG 73 Cb -0.01 -0.94 -0.01 0.00 -0.57 0.00 0.00 34.95 33.42 2k9z s ARG 73 CO -0.04 -0.98 0.16 0.00 -1.08 0.00 0.00 175.30 173.37 2k9z s ARG 75 N -3.92 3.62 -0.36 0.00 3.00 -0.07 -1.02 118.95 120.21 2k9z s ARG 75 Ca 0.11 1.26 0.01 0.00 0.00 0.00 0.00 55.73 57.10 2k9z s ARG 75 Cb 0.05 -2.07 0.11 0.00 0.00 0.00 0.00 34.95 33.04 2k9z s ARG 75 CO -0.07 -0.57 0.13 -1.58 0.00 0.00 0.00 175.30 173.21 2k9z s TRP 76 N -2.24 2.35 0.39 -0.53 0.52 0.39 -2.74 118.94 117.08 2k9z s TRP 76 Ca 0.65 -2.28 -0.24 0.00 0.02 0.00 0.00 56.10 54.24 2k9z s TRP 76 Cb -0.15 -2.11 -0.09 0.00 -1.15 0.00 0.00 33.47 29.96 2k9z s TRP 76 CO 0.28 -0.87 1.03 0.21 0.02 0.00 0.00 176.95 177.62 2k9z s LYS 77 N 1.05 4.22 -0.43 4.98 2.47 -0.83 -1.03 119.74 130.16 2k9z s LYS 77 Ca 0.12 1.47 0.03 0.00 -1.56 0.00 0.00 55.97 56.03 2k9z s LYS 77 Cb -0.20 -2.55 0.12 0.00 -1.46 0.00 0.00 37.83 33.74 2k9z s LYS 77 CO -0.14 -0.08 0.17 0.08 0.16 0.00 0.00 175.35 175.54 2k9z s VAL 78 N -1.68 2.18 0.33 4.02 1.01 -0.88 -3.44 120.40 121.94 2k9z s VAL 78 Ca 0.57 -2.74 0.08 0.00 0.00 0.00 0.00 61.98 59.89 2k9z s VAL 78 Cb -0.21 -2.55 0.09 0.00 0.00 0.00 0.00 36.38 33.70 2k9z s VAL 78 CO 0.26 -0.74 1.79 -0.07 0.00 0.00 0.00 175.10 176.34 2k9z h LEU 79 N 7.02 0.24 -8.09 3.92 3.38 -1.83 -3.37 115.31 116.58 2k9z h LEU 79 Ca -0.06 -0.08 -0.33 0.00 0.09 0.00 0.00 57.88 57.50 2k9z h LEU 79 Cb 0.95 -0.07 -0.25 0.00 0.09 0.00 0.00 40.66 41.38 2k9z h LEU 79 CO 0.59 0.54 -0.76 -1.61 0.09 0.00 0.00 178.44 177.29 2k9z s GLU 80 N -4.38 0.58 -0.64 1.13 2.02 -1.12 -4.97 118.70 111.32 2k9z s GLU 80 Ca -0.05 -0.52 -0.26 0.00 0.02 0.00 0.00 54.97 54.17 2k9z s GLU 80 Cb 0.14 -0.49 -0.09 0.00 0.10 0.00 0.00 34.13 33.79 2k9z s GLU 80 CO 0.76 0.12 2.36 -1.25 0.02 0.00 0.00 175.26 177.26 2k9z s PRO 81 N -0.86 1.93 0.58 0.39 0.04 -1.26 -3.89 135.00 131.93 2k9z s PRO 81 Ca -0.02 0.90 -0.10 0.00 0.04 0.00 0.00 61.00 61.82 2k9z s PRO 81 Cb -0.06 -4.68 -0.04 0.00 0.04 0.00 0.00 34.50 29.76 2k9z s PRO 81 CO 0.00 -3.76 0.97 0.54 0.04 0.00 0.00 177.00 174.79 2k9z s VAL 82 N 13.06 4.75 -0.04 -0.36 0.11 -1.24 -4.56 120.40 132.11 2k9z s VAL 82 Ca 0.93 0.74 0.03 0.00 -2.93 0.00 0.00 61.98 60.74 2k9z s VAL 82 Cb -0.15 -3.86 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 2k9z s VAL 82 CO 0.17 -1.05 -0.12 -0.60 -3.33 0.00 0.00 175.10 170.17 2k9z s ARG 83 N -5.00 1.35 0.02 1.54 3.52 -0.77 -3.56 118.95 116.05 2k9z s ARG 83 Ca 0.53 -0.41 -0.04 0.00 -0.13 0.00 0.00 55.73 55.68 2k9z s ARG 83 Cb -0.11 -1.20 -0.01 0.00 -1.56 0.00 0.00 34.95 32.08 2k9z s ARG 83 CO 0.50 0.13 0.05 -1.59 -0.81 0.00 0.00 175.30 173.59 2k9z s LYS 84 N 0.26 0.45 -0.14 5.12 0.00 -0.84 -2.40 119.74 122.20 2k9z s LYS 84 Ca -0.06 -0.61 -0.26 0.00 0.00 0.00 0.00 55.97 55.04 2k9z s LYS 84 Cb -0.11 0.17 -0.02 0.00 0.00 0.00 0.00 37.83 37.88 2k9z s LYS 84 CO 0.02 -0.10 0.84 -1.01 0.00 0.00 0.00 175.35 175.10 2k9z s HIS 85 N -1.86 3.47 0.22 1.78 3.76 -1.10 -1.43 115.29 120.13 2k9z s HIS 85 Ca -0.12 1.32 0.09 0.00 -0.15 0.00 0.00 55.06 56.20 2k9z s HIS 85 Cb -0.06 -3.01 -0.04 0.00 1.11 0.00 0.00 32.58 30.58 2k9z s HIS 85 CO -0.02 -0.18 -0.01 1.52 -0.85 0.00 0.00 174.74 175.21 2k9z s TYR 86 N 1.88 2.75 -0.22 1.40 1.13 -0.67 -0.84 117.35 122.77 2k9z s TYR 86 Ca 0.40 -0.19 -0.04 0.00 -1.41 0.00 0.00 57.07 55.83 2k9z s TYR 86 Cb -0.17 -1.28 0.11 0.00 -1.10 0.00 0.00 41.96 39.52 2k9z s TYR 86 CO 0.15 0.56 0.38 1.21 -2.51 0.00 0.00 175.55 175.35 2k9z s ASN 87 N -3.29 0.06 0.43 -0.18 2.47 0.32 -3.59 114.94 111.16 2k9z s ASN 87 Ca 0.29 0.54 -0.25 0.00 0.42 0.00 0.00 52.86 53.86 2k9z s ASN 87 Cb -0.08 1.17 -0.08 0.00 -1.45 0.00 0.00 41.25 40.81 2k9z s ASN 87 CO 0.19 -0.27 1.28 -0.76 -3.72 0.00 0.00 177.10 173.82 2k9z s LEU 88 N 2.56 4.14 0.00 3.21 1.43 -1.26 -1.79 118.68 126.97 2k9z s LEU 88 Ca 0.07 2.60 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 2k9z s LEU 88 Cb -0.14 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.08 2k9z s LEU 88 CO -0.14 -0.93 0.00 2.22 0.23 0.00 0.00 176.35 177.73