#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 1.31 -0.02 0.03 2.02 -1.26 -4.94 118.70 115.84 2k9z s GLU 2 Ca 0.00 -1.35 -0.30 0.00 0.02 0.00 0.00 54.97 53.34 2k9z s GLU 2 Cb 0.00 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.56 2k9z s GLU 2 CO 0.00 -0.49 1.28 0.54 0.02 0.00 0.00 175.26 176.60 2k9z s VAL 3 N -4.05 4.03 -0.09 2.63 0.11 -1.26 -4.11 120.40 117.66 2k9z s VAL 3 Ca 0.26 1.38 -0.09 0.00 -2.93 0.00 0.00 61.98 60.60 2k9z s VAL 3 Cb 0.03 -3.89 -0.04 0.00 -1.53 0.00 0.00 36.38 30.95 2k9z s VAL 3 CO 0.07 0.01 0.21 -0.75 -3.33 0.00 0.00 175.10 171.31 2k9z s LYS 4 N 2.18 3.57 0.01 1.54 2.36 -0.61 -4.99 119.74 123.80 2k9z s LYS 4 Ca 0.59 0.01 0.06 0.00 -2.55 0.00 0.00 55.97 54.09 2k9z s LYS 4 Cb -0.28 -3.20 -0.02 0.00 -1.05 0.00 0.00 37.83 33.29 2k9z s LYS 4 CO 0.24 0.76 -0.18 0.42 1.55 0.00 0.00 175.35 178.14 2k9z s ILE 5 N -1.05 1.45 0.35 5.43 1.01 -1.26 -0.83 121.20 126.31 2k9z s ILE 5 Ca 0.17 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 2k9z s ILE 5 Cb -0.13 -1.24 0.03 0.00 0.01 0.00 0.00 42.46 41.13 2k9z s ILE 5 CO 0.07 0.27 0.66 -1.83 0.00 0.00 0.00 174.94 174.10 2k9z s GLU 6 N -0.79 2.05 -0.65 2.79 -1.05 0.63 -4.95 118.70 116.73 2k9z s GLU 6 Ca 0.06 -1.50 0.05 0.00 -0.15 0.00 0.00 54.97 53.43 2k9z s GLU 6 Cb -0.08 0.55 0.16 0.00 -0.44 0.00 0.00 34.13 34.33 2k9z s GLU 6 CO 0.00 -0.92 0.43 0.15 0.95 0.00 0.00 175.26 175.88 2k9z s LYS 7 N -2.80 2.30 0.84 -4.83 -0.14 -1.26 -0.98 119.74 112.87 2k9z s LYS 7 Ca 0.21 -3.13 -0.12 0.00 -1.36 0.00 0.00 55.97 51.57 2k9z s LYS 7 Cb -0.03 -3.34 0.10 0.00 -1.68 0.00 0.00 37.83 32.87 2k9z s LYS 7 CO 0.14 -1.24 1.16 -1.25 -0.76 0.00 0.00 175.35 173.40 2k9z s PRO 8 N -1.12 1.73 0.47 -1.68 0.04 -1.26 -5.04 135.00 128.13 2k9z s PRO 8 Ca 0.23 0.20 -0.20 0.00 0.04 0.00 0.00 61.00 61.27 2k9z s PRO 8 Cb -0.10 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.43 2k9z s PRO 8 CO -0.12 -1.77 1.00 0.95 0.04 0.00 0.00 177.00 177.09 2k9z s THR 9 N -3.46 4.05 0.37 1.26 -4.23 -1.26 -4.96 115.64 107.41 2k9z s THR 9 Ca 0.62 1.26 0.09 0.00 -1.18 0.00 0.00 61.69 62.48 2k9z s THR 9 Cb -0.12 -3.51 0.15 0.00 1.34 0.00 0.00 72.50 70.35 2k9z s THR 9 CO 0.51 -0.29 1.89 1.55 -0.54 0.00 0.00 174.62 177.74 2k9z h PRO 10 N 1.66 0.27 0.15 3.99 0.13 -2.00 -2.78 132.00 133.42 2k9z h PRO 10 Ca -0.49 -0.07 0.01 0.00 -0.87 0.00 0.00 66.00 64.58 2k9z h PRO 10 Cb 1.20 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2k9z h PRO 10 CO 0.60 0.42 -0.18 0.93 -0.23 0.00 0.00 178.00 179.53 2k9z h GLU 11 N 0.26 -0.36 -1.00 0.86 5.08 -2.00 -2.10 114.58 115.32 2k9z h GLU 11 Ca 0.05 0.02 0.11 0.00 -1.00 0.00 0.00 59.36 58.55 2k9z h GLU 11 Cb 0.40 0.08 -0.08 0.00 0.50 0.00 0.00 28.75 29.65 2k9z h GLU 11 CO 0.02 -0.24 0.63 -0.22 -1.00 0.00 0.00 179.01 178.21 2k9z h LYS 12 N -0.37 0.99 -0.44 2.33 1.63 -1.89 -1.13 116.57 117.68 2k9z h LYS 12 Ca 0.01 -0.06 -0.07 0.00 -0.85 0.00 0.00 60.65 59.68 2k9z h LYS 12 Cb 0.37 -0.22 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 2k9z h LYS 12 CO -0.07 0.65 -0.03 -0.07 -3.45 0.00 0.00 179.45 176.49 2k9z h LEU 13 N 1.02 0.71 -0.15 5.20 -0.00 -1.26 -0.65 115.31 120.17 2k9z h LEU 13 Ca 0.49 -0.17 -0.01 0.00 -0.00 0.00 0.00 57.88 58.19 2k9z h LEU 13 Cb 0.44 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.91 2k9z h LEU 13 CO -0.25 0.80 0.07 0.11 -0.00 0.00 0.00 178.44 179.16 2k9z h LYS 14 N 0.68 0.22 -0.85 1.13 6.56 -0.57 -3.27 116.57 120.47 2k9z h LYS 14 Ca 0.13 -0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.67 2k9z h LYS 14 Cb 0.47 -0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 32.05 2k9z h LYS 14 CO 0.02 0.29 0.48 0.93 -2.06 0.00 0.00 179.45 179.11 2k9z h GLU 15 N 0.11 1.18 0.00 3.15 5.08 -0.62 -0.84 114.58 122.64 2k9z h GLU 15 Ca 0.05 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k9z h GLU 15 Cb 0.14 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.16 2k9z h GLU 15 CO -0.01 0.86 0.16 1.28 -1.00 0.00 0.00 179.01 180.31 2k9z n LEU 16 N -4.39 0.40 -3.69 1.33 4.32 -0.32 -4.83 117.00 109.82 2k9z n LEU 16 Ca 0.09 0.62 -0.26 0.00 -0.02 0.00 0.00 56.01 56.44 2k9z n LEU 16 Cb 0.09 -0.63 0.06 0.00 -1.62 0.00 0.00 43.42 41.33 2k9z n LEU 16 CO 0.38 -0.76 0.20 -1.20 -1.22 0.00 0.00 177.39 174.80 2k9z n SER 17 N -2.08 -5.79 -0.05 -1.43 7.64 -0.32 -4.89 113.62 106.70 2k9z n SER 17 Ca -0.01 -0.61 0.19 0.00 1.01 0.00 0.00 58.87 59.44 2k9z n SER 17 Cb 0.19 -4.69 0.63 0.00 -1.01 0.00 0.00 64.21 59.33 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 -2.51 0.75 0.00 0.44 2.07 -1.76 0.11 116.25 115.35 2k9z h VAL 18 Ca -0.57 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 66.90 2k9z h VAL 18 Cb 1.37 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 2k9z h VAL 18 CO 0.59 0.02 0.13 1.05 0.02 0.00 0.00 177.57 179.39 2k9z h GLU 19 N 0.13 0.00 -0.01 1.57 4.11 -1.89 -0.94 114.58 117.54 2k9z h GLU 19 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.72 2k9z h GLU 19 Cb 0.97 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2k9z h GLU 19 CO -0.04 0.00 -0.50 1.63 0.07 0.00 0.00 179.01 180.17 2k9z n LYS 20 N -2.55 1.33 -1.73 1.06 5.02 0.40 -4.98 118.16 116.71 2k9z n LYS 20 Ca -0.02 -0.74 -0.30 0.00 -2.02 0.00 0.00 58.31 55.23 2k9z n LYS 20 Cb 0.17 -1.38 0.07 0.00 -0.02 0.00 0.00 35.03 33.87 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 -2.31 3.06 0.33 2.13 0.52 -0.36 -5.03 118.94 117.27 2k9z s TRP 21 Ca 0.14 1.06 -0.28 0.00 0.02 0.00 0.00 56.10 57.04 2k9z s TRP 21 Cb 0.15 -3.14 -0.10 0.00 -1.15 0.00 0.00 33.47 29.24 2k9z s TRP 21 CO 0.55 -1.52 1.21 -1.25 0.02 0.00 0.00 176.95 175.96 2k9z s PRO 22 N -5.29 4.40 0.43 4.98 0.04 -1.25 -4.95 135.00 133.37 2k9z s PRO 22 Ca 0.60 2.01 -0.18 0.00 0.04 0.00 0.00 61.00 63.47 2k9z s PRO 22 Cb -0.13 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.28 2k9z s PRO 22 CO 0.53 -0.07 0.90 0.42 0.04 0.00 0.00 177.00 178.82 2k9z s ILE 23 N -1.20 4.51 0.00 0.56 1.01 -1.26 -2.48 121.20 122.34 2k9z s ILE 23 Ca 0.49 1.25 0.01 0.00 0.00 0.00 0.00 60.65 62.40 2k9z s ILE 23 Cb -0.35 -3.64 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 2k9z s ILE 23 CO 0.46 -0.41 -0.05 0.86 0.00 0.00 0.00 174.94 175.81 2k9z s TRP 24 N -2.28 0.41 0.10 3.97 -0.00 -0.53 -4.92 118.94 115.70 2k9z s TRP 24 Ca 0.59 -0.15 0.06 0.00 -0.00 0.00 0.00 56.10 56.60 2k9z s TRP 24 Cb -0.10 -0.26 -0.03 0.00 -0.00 0.00 0.00 33.47 33.08 2k9z s TRP 24 CO 0.20 -0.02 -0.14 -1.83 -0.00 0.00 0.00 176.95 175.16 2k9z s GLU 25 N -0.35 0.96 0.19 5.86 -1.05 -1.26 -1.75 118.70 121.30 2k9z s GLU 25 Ca -0.01 -1.14 -0.15 0.00 -0.15 0.00 0.00 54.97 53.52 2k9z s GLU 25 Cb -0.03 -0.88 0.02 0.00 -0.44 0.00 0.00 34.13 32.79 2k9z s GLU 25 CO -0.00 0.18 0.46 0.21 0.95 0.00 0.00 175.26 177.05 2k9z s LYS 26 N -2.35 1.33 1.13 -4.83 2.20 -1.23 -5.02 119.74 110.97 2k9z s LYS 26 Ca 0.05 -0.97 -0.18 0.00 -0.36 0.00 0.00 55.97 54.51 2k9z s LYS 26 Cb -0.07 0.48 0.26 0.00 -1.51 0.00 0.00 37.83 36.99 2k9z s LYS 26 CO 0.03 -0.55 1.14 -1.21 -0.36 0.00 0.00 175.35 174.41 2k9z s GLU 27 N -3.91 -0.68 -0.16 4.03 0.41 -1.26 -3.67 118.70 113.47 2k9z s GLU 27 Ca 0.12 -0.06 -0.05 0.00 -0.41 0.00 0.00 54.97 54.57 2k9z s GLU 27 Cb 0.00 -1.66 -0.14 0.00 -1.78 0.00 0.00 34.13 30.55 2k9z s GLU 27 CO -0.01 -3.35 3.28 0.28 -0.49 0.00 0.00 175.26 174.96 2k9z n VAL 28 N -4.51 3.08 -3.19 2.63 0.31 -1.26 -4.80 118.33 110.60 2k9z n VAL 28 Ca 0.12 -1.99 0.00 0.00 -0.01 0.00 0.00 64.34 62.47 2k9z n VAL 28 Cb 0.59 -1.84 0.00 0.00 -0.91 0.00 0.00 33.84 31.68 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 1.89 0.56 -3.74 4.52 2.88 -1.21 -4.84 113.62 113.67 2k9z n SER 29 Ca 0.44 -0.91 -0.12 0.00 -1.33 0.00 0.00 58.87 56.95 2k9z n SER 29 Cb 0.78 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 64.13 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 -1.59 0.34 0.00 -1.46 -1.05 -1.26 -0.80 118.70 112.89 2k9z s GLU 30 Ca 0.00 0.55 0.00 0.00 -0.15 0.00 0.00 54.97 55.37 2k9z s GLU 30 Cb 0.00 0.07 0.00 0.00 -0.44 0.00 0.00 34.13 33.76 2k9z s GLU 30 CO 0.00 -0.10 0.00 1.97 0.95 0.00 0.00 175.26 178.08 2k9z n PHE 31 N 3.51 -0.33 -4.05 4.83 -1.74 0.02 -5.00 117.46 114.69 2k9z n PHE 31 Ca -0.18 0.00 -0.11 0.00 -0.56 0.00 0.00 57.45 56.60 2k9z n PHE 31 Cb 0.56 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.45 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 0.36 0.65 -0.04 5.98 1.47 -1.26 -0.37 116.67 123.46 2k9z s ASP 32 Ca 0.00 -0.63 0.04 0.00 1.18 0.00 0.00 52.55 53.14 2k9z s ASP 32 Cb 0.00 0.08 0.00 0.00 -0.34 0.00 0.00 42.92 42.66 2k9z s ASP 32 CO 0.00 -0.30 -0.14 0.86 0.68 0.00 0.00 175.17 176.27 2k9z s TRP 33 N -1.90 1.41 -0.36 2.11 -0.11 0.20 -4.87 118.94 115.42 2k9z s TRP 33 Ca -0.08 -0.40 -0.09 0.00 1.22 0.00 0.00 56.10 56.76 2k9z s TRP 33 Cb -0.07 -0.97 0.04 0.00 -1.50 0.00 0.00 33.47 30.97 2k9z s TRP 33 CO -0.02 -0.15 0.16 -0.47 -4.62 0.00 0.00 176.95 171.86 2k9z s TYR 34 N 0.13 3.26 -0.16 5.86 6.14 -1.26 -1.78 117.35 129.54 2k9z s TYR 34 Ca -0.04 -1.22 -0.29 0.00 0.64 0.00 0.00 57.07 56.16 2k9z s TYR 34 Cb -0.11 -2.39 -0.00 0.00 0.42 0.00 0.00 41.96 39.88 2k9z s TYR 34 CO 0.02 -0.70 1.04 0.71 0.64 0.00 0.00 175.55 177.26 2k9z s TYR 35 N 1.47 3.40 0.00 4.97 2.02 0.79 -4.90 117.35 125.11 2k9z s TYR 35 Ca 0.00 1.50 0.00 0.00 -0.37 0.00 0.00 57.07 58.21 2k9z s TYR 35 Cb -0.20 -3.25 0.00 0.00 -0.40 0.00 0.00 41.96 38.12 2k9z s TYR 35 CO 0.05 -0.44 0.65 -3.47 -1.57 0.00 0.00 175.55 170.77 2k9z n ASP 36 N 5.61 1.18 -3.38 2.29 2.03 -1.26 -1.27 116.55 121.74 2k9z n ASP 36 Ca 0.10 -1.42 -0.14 0.00 0.52 0.00 0.00 54.79 53.86 2k9z n ASP 36 Cb 0.47 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.42 0.00 0.30 5.18 -4.23 -1.26 -4.51 115.64 110.70 2k9z s THR 37 Ca 0.00 -1.60 -0.29 0.00 -1.18 0.00 0.00 61.69 58.62 2k9z s THR 37 Cb 0.00 -2.58 -0.10 0.00 1.34 0.00 0.00 72.50 71.15 2k9z s THR 37 CO 0.00 0.00 1.40 0.20 -0.54 0.00 0.00 174.62 175.68 2k9z s ASN 38 N -3.21 6.65 -0.28 3.99 0.01 -1.26 -3.20 114.94 117.63 2k9z s ASN 38 Ca 0.30 2.74 -0.02 0.00 -0.71 0.00 0.00 52.86 55.17 2k9z s ASN 38 Cb -0.00 -2.64 0.12 0.00 0.41 0.00 0.00 41.25 39.14 2k9z s ASN 38 CO 0.19 -0.67 0.22 -0.70 -1.51 0.00 0.00 177.10 174.63 2k9z s GLU 39 N -1.18 0.26 0.36 -0.60 2.12 -0.59 -2.15 118.70 116.92 2k9z s GLU 39 Ca 0.54 -0.29 -0.26 0.00 0.36 0.00 0.00 54.97 55.33 2k9z s GLU 39 Cb -0.42 -0.91 -0.09 0.00 0.26 0.00 0.00 34.13 32.97 2k9z s GLU 39 CO 0.50 -1.00 1.05 0.99 -0.54 0.00 0.00 175.26 176.25 2k9z s THR 40 N 2.25 3.73 0.17 -1.70 2.01 -0.76 -1.01 115.64 120.32 2k9z s THR 40 Ca 0.09 1.43 0.03 0.00 0.31 0.00 0.00 61.69 63.55 2k9z s THR 40 Cb -0.15 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.52 2k9z s THR 40 CO -0.33 0.11 -0.04 0.00 -0.69 0.00 0.00 174.62 173.67 2k9z s TYR 42 N -3.51 2.42 0.09 0.00 5.04 0.06 -1.07 117.35 120.39 2k9z s TYR 42 Ca 0.21 -1.79 -0.30 0.00 -2.44 0.00 0.00 57.07 52.74 2k9z s TYR 42 Cb 0.05 -1.62 -0.06 0.00 0.35 0.00 0.00 41.96 40.67 2k9z s TYR 42 CO 0.03 -0.78 1.20 0.42 -1.34 0.00 0.00 175.55 175.07 2k9z s ILE 43 N 1.39 3.91 -0.00 3.14 -1.09 -1.13 -1.58 121.20 125.84 2k9z s ILE 43 Ca -0.05 1.43 0.02 0.00 -2.23 0.00 0.00 60.65 59.81 2k9z s ILE 43 Cb -0.19 -3.91 -0.03 0.00 -1.58 0.00 0.00 42.46 36.75 2k9z s ILE 43 CO -0.07 0.14 0.03 0.18 -1.23 0.00 0.00 174.94 174.00 2k9z n LEU 44 N 3.57 0.00 -3.63 2.97 4.32 -0.40 -1.83 117.00 122.00 2k9z n LEU 44 Ca 0.08 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 55.96 2k9z n LEU 44 Cb 0.46 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.22 2k9z n LEU 44 CO 0.56 0.00 0.20 -1.83 -1.22 0.00 0.00 177.39 175.10 2k9z s GLU 45 N -2.11 1.13 0.00 3.23 -1.05 -1.13 -4.84 118.70 113.93 2k9z s GLU 45 Ca -0.01 -0.71 0.00 0.00 -0.15 0.00 0.00 54.97 54.10 2k9z s GLU 45 Cb 0.01 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.19 2k9z s GLU 45 CO 0.07 -0.45 0.00 0.41 0.95 0.00 0.00 175.26 176.24 2k9z n GLY 46 N -0.26 -2.58 3.08 -3.83 0.00 -1.21 -2.25 105.19 98.15 2k9z n GLY 46 Ca -0.15 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.40 0.28 -0.03 1.61 2.36 -1.07 -3.99 119.74 118.49 2k9z s LYS 47 Ca 0.00 0.14 0.04 0.00 -2.55 0.00 0.00 55.97 53.60 2k9z s LYS 47 Cb 0.00 0.13 -0.00 0.00 -1.05 0.00 0.00 37.83 36.91 2k9z s LYS 47 CO 0.00 -0.05 -0.15 0.08 1.55 0.00 0.00 175.35 176.78 2k9z s VAL 48 N -0.19 1.25 -0.18 4.02 1.01 -1.20 -1.61 120.40 123.49 2k9z s VAL 48 Ca -0.03 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.23 2k9z s VAL 48 Cb -0.03 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 2k9z s VAL 48 CO 0.01 0.36 0.15 -1.61 0.00 0.00 0.00 175.10 174.01 2k9z s GLU 49 N 0.00 4.08 -0.04 2.72 2.02 0.09 -2.84 118.70 124.74 2k9z s GLU 49 Ca -0.02 -0.18 0.04 0.00 0.02 0.00 0.00 54.97 54.83 2k9z s GLU 49 Cb -0.10 -3.38 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 2k9z s GLU 49 CO 0.01 0.37 -0.14 0.08 0.02 0.00 0.00 175.26 175.61 2k9z s VAL 50 N 0.14 3.09 -0.20 2.63 1.01 -0.44 -0.21 120.40 126.42 2k9z s VAL 50 Ca 0.10 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 2k9z s VAL 50 Cb -0.11 -2.23 0.07 0.00 0.00 0.00 0.00 36.38 34.10 2k9z s VAL 50 CO -0.01 0.55 0.07 -0.89 0.00 0.00 0.00 175.10 174.83 2k9z s THR 51 N -0.77 0.27 1.01 3.92 2.01 -0.87 0.05 115.64 121.25 2k9z s THR 51 Ca 0.12 -0.49 -0.16 0.00 0.31 0.00 0.00 61.69 61.47 2k9z s THR 51 Cb -0.11 -0.90 0.21 0.00 0.01 0.00 0.00 72.50 71.71 2k9z s THR 51 CO 0.01 -0.32 1.26 0.42 -0.69 0.00 0.00 174.62 175.31 2k9z s THR 52 N 1.97 1.91 0.14 -0.82 -4.23 -0.97 -0.68 115.64 112.95 2k9z s THR 52 Ca 0.02 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.72 2k9z s THR 52 Cb -0.17 -2.87 0.15 0.00 1.34 0.00 0.00 72.50 70.95 2k9z s THR 52 CO -0.12 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 175.61 2k9z h GLU 53 N -1.83 0.00 -0.06 3.99 4.81 -1.91 -1.89 114.58 117.69 2k9z h GLU 53 Ca -0.45 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.80 2k9z h GLU 53 Cb 1.26 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.63 2k9z h GLU 53 CO 0.39 0.36 0.05 0.22 -0.73 0.00 0.00 179.01 179.31 2k9z h ASP 54 N 0.00 0.00 0.00 1.04 3.58 -1.93 -3.46 116.42 115.65 2k9z h ASP 54 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k9z h ASP 54 Cb 0.90 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.95 2k9z h ASP 54 CO 0.05 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.02 2k9z n GLY 55 N -1.45 0.72 3.65 -0.78 0.00 -0.71 -5.03 105.19 101.59 2k9z n GLY 55 Ca -0.01 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.49 2k9z n GLY 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k9z n LYS 56 N -2.50 1.68 -2.19 1.61 4.76 -1.26 -4.87 118.16 115.39 2k9z n LYS 56 Ca 0.00 0.59 -0.33 0.00 -2.87 0.00 0.00 58.31 55.70 2k9z n LYS 56 Cb 0.00 -2.48 -0.00 0.00 -1.84 0.00 0.00 35.03 30.71 2k9z n LYS 56 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2k9z s LYS 57 N 4.39 3.46 0.04 1.97 3.01 -1.26 -2.30 119.74 129.05 2k9z s LYS 57 Ca 0.98 1.25 0.02 0.00 -1.01 0.00 0.00 55.97 57.20 2k9z s LYS 57 Cb -0.82 -2.05 -0.02 0.00 -1.01 0.00 0.00 37.83 33.92 2k9z s LYS 57 CO 0.55 -0.70 -0.07 0.71 0.51 0.00 0.00 175.35 176.35 2k9z s TYR 58 N -2.32 0.59 -0.00 3.18 1.51 0.11 -4.97 117.35 115.44 2k9z s TYR 58 Ca 0.65 -0.53 0.05 0.00 -1.01 0.00 0.00 57.07 56.23 2k9z s TYR 58 Cb -0.16 -0.36 -0.02 0.00 -0.11 0.00 0.00 41.96 41.31 2k9z s TYR 58 CO 0.32 -0.11 -0.17 0.08 -1.11 0.00 0.00 175.55 174.56 2k9z s VAL 59 N -1.53 1.34 -0.07 0.71 1.01 -1.26 -1.33 120.40 119.26 2k9z s VAL 59 Ca -0.10 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 2k9z s VAL 59 Cb -0.09 -1.13 0.03 0.00 0.00 0.00 0.00 36.38 35.19 2k9z s VAL 59 CO -0.00 0.32 -0.00 0.27 0.00 0.00 0.00 175.10 175.69 2k9z s ILE 60 N -0.48 0.38 0.82 2.22 -4.36 -1.13 -5.00 121.20 113.65 2k9z s ILE 60 Ca 0.06 0.11 -0.09 0.00 -0.26 0.00 0.00 60.65 60.47 2k9z s ILE 60 Cb -0.07 -0.53 0.14 0.00 1.25 0.00 0.00 42.46 43.25 2k9z s ILE 60 CO -0.00 0.26 1.15 -1.83 0.24 0.00 0.00 174.94 174.75 2k9z s GLU 61 N 1.88 1.41 0.00 0.37 -1.05 -1.26 -3.23 118.70 116.83 2k9z s GLU 61 Ca 0.04 -0.51 -0.00 0.00 -0.15 0.00 0.00 54.97 54.34 2k9z s GLU 61 Cb -0.12 -2.06 -0.02 0.00 -0.44 0.00 0.00 34.13 31.48 2k9z s GLU 61 CO -0.05 -1.80 0.66 0.36 0.95 0.00 0.00 175.26 175.38 2k9z n LYS 62 N -3.27 0.27 0.00 -4.83 2.85 -1.26 -1.96 118.16 109.97 2k9z n LYS 62 Ca 0.13 -0.07 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 2k9z n LYS 62 Cb 0.60 -1.47 0.00 0.00 -0.65 0.00 0.00 35.03 33.52 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 2.23 0.03 3.62 2.58 0.00 -0.76 -4.42 105.19 108.46 2k9z n GLY 63 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 6.46 0.72 1.61 1.11 -0.83 -4.61 116.67 121.13 2k9z s ASP 64 Ca 0.00 1.35 -0.11 0.00 0.18 0.00 0.00 52.55 53.97 2k9z s ASP 64 Cb 0.00 -2.54 0.02 0.00 1.07 0.00 0.00 42.92 41.48 2k9z s ASP 64 CO 0.00 -1.24 1.07 -0.22 1.18 0.00 0.00 175.17 175.96 2k9z s LEU 65 N 5.02 3.03 -0.07 1.23 2.96 -0.15 -2.83 118.68 127.87 2k9z s LEU 65 Ca 0.65 1.59 -0.31 0.00 -0.22 0.00 0.00 54.13 55.85 2k9z s LEU 65 Cb -0.20 -4.40 0.07 0.00 0.50 0.00 0.00 46.19 42.15 2k9z s LEU 65 CO 0.28 -1.61 0.69 0.54 -1.32 0.00 0.00 176.35 174.93 2k9z s VAL 66 N -3.04 0.00 -0.32 1.68 0.11 -0.23 -0.27 120.40 118.33 2k9z s VAL 66 Ca 0.59 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.62 2k9z s VAL 66 Cb -0.14 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.81 2k9z s VAL 66 CO 0.55 0.00 0.14 -0.89 -3.33 0.00 0.00 175.10 171.57 2k9z s THR 67 N -1.09 0.38 0.44 5.04 2.01 -0.01 -0.33 115.64 122.08 2k9z s THR 67 Ca -0.10 -1.26 -0.23 0.00 0.31 0.00 0.00 61.69 60.40 2k9z s THR 67 Cb -0.00 -1.30 -0.08 0.00 0.01 0.00 0.00 72.50 71.13 2k9z s THR 67 CO 0.09 -0.77 1.15 -0.36 -0.69 0.00 0.00 174.62 174.04 2k9z s PHE 68 N 1.64 2.98 0.77 4.92 0.40 -0.18 -1.57 117.98 126.94 2k9z s PHE 68 Ca 0.11 1.56 -0.07 0.00 -0.60 0.00 0.00 56.93 57.93 2k9z s PHE 68 Cb -0.18 -3.34 0.12 0.00 0.51 0.00 0.00 43.02 40.13 2k9z s PHE 68 CO -0.24 -1.32 1.08 -1.25 0.70 0.00 0.00 175.22 174.19 2k9z s PRO 69 N -2.59 1.63 -0.72 0.24 0.04 -1.26 -1.54 135.00 130.80 2k9z s PRO 69 Ca 0.61 -0.58 -0.26 0.00 0.04 0.00 0.00 61.00 60.82 2k9z s PRO 69 Cb -0.28 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 2k9z s PRO 69 CO 0.34 -1.61 1.82 0.21 0.04 0.00 0.00 177.00 177.81 2k9z s LYS 70 N -5.37 2.69 0.00 4.56 2.20 -1.19 -4.16 119.74 118.46 2k9z s LYS 70 Ca 0.66 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.48 2k9z s LYS 70 Cb -0.07 -4.60 0.00 0.00 -1.51 0.00 0.00 37.83 31.65 2k9z s LYS 70 CO 0.47 -2.84 0.00 0.41 -0.36 0.00 0.00 175.35 173.02 2k9z n GLY 71 N 6.05 0.10 3.20 5.54 0.00 -0.72 -4.85 105.19 114.51 2k9z n GLY 71 Ca 0.25 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 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 0.75 -0.25 0.99 0.20 -0.40 -4.85 118.68 115.13 2k9z s LEU 72 Ca 0.00 0.64 0.01 0.00 0.69 0.00 0.00 54.13 55.47 2k9z s LEU 72 Cb 0.00 1.08 0.07 0.00 -0.43 0.00 0.00 46.19 46.91 2k9z s LEU 72 CO 0.00 -0.11 -0.03 -0.60 -0.29 0.00 0.00 176.35 175.32 2k9z s ARG 73 N 0.24 1.49 0.21 1.98 3.52 -1.26 -0.15 118.95 124.97 2k9z s ARG 73 Ca -0.01 -1.03 -0.07 0.00 -0.13 0.00 0.00 55.73 54.49 2k9z s ARG 73 Cb -0.03 -2.56 -0.02 0.00 -1.56 0.00 0.00 34.95 30.78 2k9z s ARG 73 CO -0.00 -0.66 0.28 0.00 -0.81 0.00 0.00 175.30 174.12 2k9z s ARG 75 N -4.06 3.26 -0.31 0.00 3.00 0.14 -0.63 118.95 120.36 2k9z s ARG 75 Ca 0.28 0.36 -0.01 0.00 0.00 0.00 0.00 55.73 56.36 2k9z s ARG 75 Cb 0.03 -2.19 0.13 0.00 0.00 0.00 0.00 34.95 32.92 2k9z s ARG 75 CO 0.08 -0.60 0.25 -1.58 0.00 0.00 0.00 175.30 173.44 2k9z s TRP 76 N -3.06 -0.11 -0.25 -0.53 0.52 0.50 -2.06 118.94 113.96 2k9z s TRP 76 Ca 0.53 -0.59 -0.12 0.00 0.02 0.00 0.00 56.10 55.95 2k9z s TRP 76 Cb -0.11 -0.62 -0.05 0.00 -1.15 0.00 0.00 33.47 31.54 2k9z s TRP 76 CO 0.49 -0.89 0.22 0.21 0.02 0.00 0.00 176.95 176.99 2k9z s LYS 77 N 2.05 4.05 -0.52 4.98 2.47 0.71 -0.80 119.74 132.68 2k9z s LYS 77 Ca 0.11 -0.19 -0.15 0.00 -1.56 0.00 0.00 55.97 54.18 2k9z s LYS 77 Cb -0.15 -3.58 0.12 0.00 -1.46 0.00 0.00 37.83 32.75 2k9z s LYS 77 CO -0.27 -0.04 0.46 0.08 0.16 0.00 0.00 175.35 175.73 2k9z s VAL 78 N 1.36 5.05 0.02 4.02 1.01 0.02 -0.73 120.40 131.16 2k9z s VAL 78 Ca 0.10 -1.47 0.10 0.00 0.00 0.00 0.00 61.98 60.70 2k9z s VAL 78 Cb -0.14 -4.21 -0.16 0.00 0.00 0.00 0.00 36.38 31.86 2k9z s VAL 78 CO 0.07 -0.81 1.15 -0.07 0.00 0.00 0.00 175.10 175.45 2k9z h LEU 79 N 8.80 0.00 -7.75 3.92 3.38 -1.56 -3.21 115.31 118.89 2k9z h LEU 79 Ca -0.28 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 2k9z h LEU 79 Cb 1.10 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.65 2k9z h LEU 79 CO 0.98 0.88 -0.48 -1.61 0.09 0.00 0.00 178.44 178.31 2k9z s GLU 80 N -2.75 0.51 0.25 1.13 0.41 -1.10 -4.93 118.70 112.22 2k9z s GLU 80 Ca 0.00 -0.42 -0.30 0.00 -0.41 0.00 0.00 54.97 53.84 2k9z s GLU 80 Cb 0.09 0.21 -0.10 0.00 -1.78 0.00 0.00 34.13 32.55 2k9z s GLU 80 CO 0.81 -0.12 1.43 -1.25 -0.49 0.00 0.00 175.26 175.63 2k9z s PRO 81 N -1.51 4.28 -0.10 0.39 0.04 -1.26 -2.61 135.00 134.22 2k9z s PRO 81 Ca -0.14 2.28 -0.01 0.00 0.04 0.00 0.00 61.00 63.18 2k9z s PRO 81 Cb -0.07 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.38 2k9z s PRO 81 CO 0.01 -0.40 -0.05 0.54 0.04 0.00 0.00 177.00 177.14 2k9z s VAL 82 N -0.05 0.79 -0.33 -0.36 0.11 -1.24 -3.34 120.40 115.98 2k9z s VAL 82 Ca 0.59 -0.14 -0.13 0.00 -2.93 0.00 0.00 61.98 59.36 2k9z s VAL 82 Cb -0.41 -0.86 -0.02 0.00 -1.53 0.00 0.00 36.38 33.55 2k9z s VAL 82 CO 0.43 0.32 0.25 -0.60 -3.33 0.00 0.00 175.10 172.18 2k9z s ARG 83 N 1.81 3.62 0.06 1.54 3.52 -0.95 -3.56 118.95 124.98 2k9z s ARG 83 Ca 0.05 -0.52 0.07 0.00 -0.13 0.00 0.00 55.73 55.20 2k9z s ARG 83 Cb -0.12 -3.77 -0.03 0.00 -1.56 0.00 0.00 34.95 29.47 2k9z s ARG 83 CO -0.07 -0.40 -0.19 -1.59 -0.81 0.00 0.00 175.30 172.24 2k9z s LYS 84 N 1.79 1.18 -0.07 5.12 0.00 -0.72 -1.28 119.74 125.76 2k9z s LYS 84 Ca 0.07 -0.96 -0.24 0.00 0.00 0.00 0.00 55.97 54.84 2k9z s LYS 84 Cb -0.17 -1.31 -0.03 0.00 0.00 0.00 0.00 37.83 36.32 2k9z s LYS 84 CO 0.11 0.32 0.75 -1.01 0.00 0.00 0.00 175.35 175.52 2k9z s HIS 85 N -0.94 3.56 0.30 1.78 3.76 -0.61 -1.46 115.29 121.69 2k9z s HIS 85 Ca 0.05 1.30 0.10 0.00 -0.15 0.00 0.00 55.06 56.37 2k9z s HIS 85 Cb -0.09 -2.87 -0.05 0.00 1.11 0.00 0.00 32.58 30.68 2k9z s HIS 85 CO 0.02 0.03 -0.08 1.52 -0.85 0.00 0.00 174.74 175.38 2k9z s TYR 86 N 1.02 2.47 -0.21 1.40 1.13 -1.04 -0.76 117.35 121.37 2k9z s TYR 86 Ca 0.39 -0.37 -0.08 0.00 -1.41 0.00 0.00 57.07 55.61 2k9z s TYR 86 Cb -0.18 -1.24 0.09 0.00 -1.10 0.00 0.00 41.96 39.53 2k9z s TYR 86 CO 0.19 0.61 0.44 1.21 -2.51 0.00 0.00 175.55 175.49 2k9z s ASN 87 N -3.62 -0.37 0.15 -0.18 2.47 -0.74 -3.81 114.94 108.83 2k9z s ASN 87 Ca 0.32 1.05 -0.30 0.00 0.42 0.00 0.00 52.86 54.35 2k9z s ASN 87 Cb -0.03 1.38 -0.07 0.00 -1.45 0.00 0.00 41.25 41.08 2k9z s ASN 87 CO 0.18 -0.23 1.11 -0.76 -3.72 0.00 0.00 177.10 173.68 2k9z s LEU 88 N 2.50 4.46 0.00 3.21 1.43 -1.26 -1.83 118.68 127.19 2k9z s LEU 88 Ca -0.03 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 2k9z s LEU 88 Cb -0.11 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.51 2k9z s LEU 88 CO -0.13 -0.26 0.00 2.22 0.23 0.00 0.00 176.35 178.40