#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 -2.94 2.12 2.13 -1.26 -5.09 120.64 115.60 2k9z n GLU 2 Ca 0.00 -0.43 -0.01 0.00 0.66 0.00 0.00 57.16 57.38 2k9z n GLU 2 Cb 0.00 -0.13 -0.01 0.00 0.27 0.00 0.00 31.44 31.57 2k9z n GLU 2 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k9z n VAL 3 N 0.02 -6.52 -2.35 6.31 0.31 -1.26 -4.88 118.33 109.95 2k9z n VAL 3 Ca -0.01 1.18 -0.41 0.00 -0.01 0.00 0.00 64.34 65.08 2k9z n VAL 3 Cb 0.59 -4.63 -0.03 0.00 -0.91 0.00 0.00 33.84 28.87 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 -0.93 4.45 -0.03 5.55 2.20 -0.44 -4.91 119.74 125.63 2k9z s LYS 4 Ca -0.05 1.89 0.01 0.00 -0.36 0.00 0.00 55.97 57.46 2k9z s LYS 4 Cb 0.00 -3.26 0.01 0.00 -1.51 0.00 0.00 37.83 33.08 2k9z s LYS 4 CO 0.36 -0.18 -0.05 0.42 -0.36 0.00 0.00 175.35 175.54 2k9z s ILE 5 N 0.34 0.50 0.28 5.43 1.01 -1.26 -0.60 121.20 126.90 2k9z s ILE 5 Ca 0.56 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 61.07 2k9z s ILE 5 Cb -0.33 -0.50 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 2k9z s ILE 5 CO 0.34 0.19 0.11 -1.61 0.00 0.00 0.00 174.94 173.98 2k9z s GLU 6 N 0.56 1.49 -0.70 2.79 2.02 -0.30 -4.98 118.70 119.59 2k9z s GLU 6 Ca -0.07 -1.83 0.01 0.00 0.02 0.00 0.00 54.97 53.10 2k9z s GLU 6 Cb -0.11 -0.26 0.17 0.00 0.10 0.00 0.00 34.13 34.04 2k9z s GLU 6 CO -0.00 -0.34 0.51 0.15 0.02 0.00 0.00 175.26 175.60 2k9z s LYS 7 N -3.95 2.61 0.68 1.61 -0.14 -1.26 -0.80 119.74 118.49 2k9z s LYS 7 Ca 0.37 -2.97 -0.11 0.00 -1.36 0.00 0.00 55.97 51.89 2k9z s LYS 7 Cb 0.07 -3.63 0.00 0.00 -1.68 0.00 0.00 37.83 32.59 2k9z s LYS 7 CO 0.15 -1.22 1.06 -1.25 -0.76 0.00 0.00 175.35 173.33 2k9z s PRO 8 N -0.83 2.99 0.43 -1.68 0.04 -1.26 -5.03 135.00 129.66 2k9z s PRO 8 Ca 0.22 0.97 -0.25 0.00 0.04 0.00 0.00 61.00 61.98 2k9z s PRO 8 Cb -0.14 -2.00 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 2k9z s PRO 8 CO -0.09 -1.06 1.31 -0.08 0.04 0.00 0.00 177.00 177.13 2k9z s THR 9 N -3.00 2.53 0.19 1.26 -1.32 -1.26 -4.93 115.64 109.11 2k9z s THR 9 Ca 0.58 0.46 0.23 0.00 -1.21 0.00 0.00 61.69 61.75 2k9z s THR 9 Cb -0.14 -3.26 0.21 0.00 -1.51 0.00 0.00 72.50 67.80 2k9z s THR 9 CO 0.53 0.05 1.84 1.55 -2.21 0.00 0.00 174.62 176.39 2k9z h PRO 10 N 2.43 0.00 -0.63 7.08 0.13 -2.00 -2.73 132.00 136.28 2k9z h PRO 10 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 2k9z h PRO 10 Cb 1.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.36 2k9z h PRO 10 CO 0.62 0.25 0.25 0.93 -0.23 0.00 0.00 178.00 179.81 2k9z h GLU 11 N 0.00 0.95 -0.68 0.86 4.39 -2.00 -1.49 114.58 116.60 2k9z h GLU 11 Ca -0.00 -0.17 0.04 0.00 0.34 0.00 0.00 59.36 59.56 2k9z h GLU 11 Cb 0.72 -0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 29.17 2k9z h GLU 11 CO 0.03 0.80 0.41 -0.22 -1.16 0.00 0.00 179.01 178.87 2k9z h LYS 12 N 0.89 0.76 -0.04 2.33 1.63 -1.88 -2.03 116.57 118.22 2k9z h LYS 12 Ca 0.21 -0.05 -0.08 0.00 -0.85 0.00 0.00 60.65 59.89 2k9z h LYS 12 Cb 0.21 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.66 2k9z h LYS 12 CO -0.02 0.50 -0.33 -0.07 -3.45 0.00 0.00 179.45 176.09 2k9z h LEU 13 N 0.78 0.08 0.19 5.20 -0.00 -1.42 -0.81 115.31 119.34 2k9z h LEU 13 Ca 0.29 -0.03 -0.00 0.00 -0.00 0.00 0.00 57.88 58.14 2k9z h LEU 13 Cb 0.09 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 2k9z h LEU 13 CO -0.14 0.41 -0.14 0.11 -0.00 0.00 0.00 178.44 178.69 2k9z h LYS 14 N 0.07 -0.32 -0.41 1.13 1.57 -0.61 -3.25 116.57 114.76 2k9z h LYS 14 Ca 0.01 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2k9z h LYS 14 Cb 0.62 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 2k9z h LYS 14 CO 0.05 -0.21 0.22 0.93 -0.57 0.00 0.00 179.45 179.86 2k9z h GLU 15 N -0.33 0.43 0.00 3.15 4.39 -0.67 -1.62 114.58 119.93 2k9z h GLU 15 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k9z h GLU 15 Cb 0.29 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2k9z h GLU 15 CO 0.00 0.29 0.00 1.28 -1.16 0.00 0.00 179.01 179.42 2k9z n LEU 16 N -4.89 0.00 -3.20 1.33 4.77 -0.41 -4.81 117.00 109.79 2k9z n LEU 16 Ca 0.02 0.29 -0.20 0.00 -0.03 0.00 0.00 56.01 56.08 2k9z n LEU 16 Cb 0.08 -0.29 0.07 0.00 -2.33 0.00 0.00 43.42 40.96 2k9z n LEU 16 CO 0.31 -0.27 0.21 -1.20 -1.33 0.00 0.00 177.39 175.11 2k9z n SER 17 N -1.29 -5.46 0.18 -1.43 7.64 -0.61 -4.89 113.62 107.76 2k9z n SER 17 Ca 0.01 -0.48 0.10 0.00 1.01 0.00 0.00 58.87 59.51 2k9z n SER 17 Cb 0.01 -4.48 0.63 0.00 -1.01 0.00 0.00 64.21 59.36 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 -2.31 0.95 0.00 0.44 2.07 -1.77 0.55 116.25 116.18 2k9z h VAL 18 Ca -0.50 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.00 2k9z h VAL 18 Cb 1.32 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.98 2k9z h VAL 18 CO 0.48 0.01 0.06 1.05 0.02 0.00 0.00 177.57 179.20 2k9z h GLU 19 N 0.06 0.00 -0.02 1.57 4.11 -1.89 -0.79 114.58 117.61 2k9z h GLU 19 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.50 2k9z h GLU 19 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 2k9z h GLU 19 CO -0.01 0.00 -0.20 1.63 0.07 0.00 0.00 179.01 180.50 2k9z n LYS 20 N -2.46 1.68 -2.10 1.06 5.02 0.18 -4.97 118.16 116.58 2k9z n LYS 20 Ca -0.02 -1.36 -0.28 0.00 -2.02 0.00 0.00 58.31 54.63 2k9z n LYS 20 Cb 0.10 -1.40 0.04 0.00 -0.02 0.00 0.00 35.03 33.76 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 -1.98 3.25 0.39 2.13 0.52 -0.30 -5.05 118.94 117.89 2k9z s TRP 21 Ca 0.21 0.84 -0.26 0.00 0.02 0.00 0.00 56.10 56.91 2k9z s TRP 21 Cb 0.17 -2.98 -0.09 0.00 -1.15 0.00 0.00 33.47 29.42 2k9z s TRP 21 CO 0.38 -1.10 1.22 -1.25 0.02 0.00 0.00 176.95 176.22 2k9z s PRO 22 N -5.23 4.08 0.47 4.98 0.04 -1.24 -4.92 135.00 133.18 2k9z s PRO 22 Ca 0.57 1.97 -0.19 0.00 0.04 0.00 0.00 61.00 63.39 2k9z s PRO 22 Cb -0.11 -2.76 -0.09 0.00 0.04 0.00 0.00 34.50 31.58 2k9z s PRO 22 CO 0.49 -0.34 0.98 0.42 0.04 0.00 0.00 177.00 178.58 2k9z s ILE 23 N -1.32 4.37 0.01 0.56 1.01 -1.26 -2.17 121.20 122.40 2k9z s ILE 23 Ca 0.56 1.33 0.01 0.00 0.00 0.00 0.00 60.65 62.54 2k9z s ILE 23 Cb -0.34 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.50 2k9z s ILE 23 CO 0.43 -0.46 -0.03 0.86 0.00 0.00 0.00 174.94 175.75 2k9z s TRP 24 N -2.34 0.26 0.12 3.97 -0.00 -0.99 -4.90 118.94 115.05 2k9z s TRP 24 Ca 0.61 -0.27 -0.07 0.00 -0.00 0.00 0.00 56.10 56.37 2k9z s TRP 24 Cb -0.10 -0.17 -0.01 0.00 -0.00 0.00 0.00 33.47 33.19 2k9z s TRP 24 CO 0.21 -0.08 0.19 -1.83 -0.00 0.00 0.00 176.95 175.44 2k9z s GLU 25 N -0.76 0.96 0.09 5.86 -1.05 -1.26 -2.98 118.70 119.55 2k9z s GLU 25 Ca -0.07 -1.13 -0.21 0.00 -0.15 0.00 0.00 54.97 53.41 2k9z s GLU 25 Cb -0.05 0.33 0.05 0.00 -0.44 0.00 0.00 34.13 34.02 2k9z s GLU 25 CO -0.00 -0.31 0.52 0.21 0.95 0.00 0.00 175.26 176.62 2k9z s LYS 26 N -3.93 1.10 1.04 -4.83 2.36 -1.25 -5.06 119.74 109.16 2k9z s LYS 26 Ca 0.12 -0.37 -0.12 0.00 -2.55 0.00 0.00 55.97 53.05 2k9z s LYS 26 Cb 0.05 0.50 0.21 0.00 -1.05 0.00 0.00 37.83 37.54 2k9z s LYS 26 CO -0.05 -0.42 1.07 -1.21 1.55 0.00 0.00 175.35 176.29 2k9z s GLU 27 N -2.98 0.09 -1.24 4.03 8.01 -1.26 -4.11 118.70 121.24 2k9z s GLU 27 Ca -0.02 0.67 -0.11 0.00 0.01 0.00 0.00 54.97 55.52 2k9z s GLU 27 Cb -0.00 -1.68 -0.06 0.00 -4.31 0.00 0.00 34.13 28.07 2k9z s GLU 27 CO -0.06 -3.00 2.41 1.55 0.01 0.00 0.00 175.26 176.17 2k9z n VAL 28 N -4.39 3.20 -3.25 2.63 3.14 -1.26 -4.77 118.33 113.64 2k9z n VAL 28 Ca 0.05 -2.13 0.00 0.00 -2.96 0.00 0.00 64.34 59.30 2k9z n VAL 28 Cb 0.56 -2.41 0.00 0.00 -1.06 0.00 0.00 33.84 30.93 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 4.73 1.03 -3.84 6.55 2.88 -1.24 -4.95 113.62 118.77 2k9z n SER 29 Ca 0.59 -0.25 -0.09 0.00 -1.33 0.00 0.00 58.87 57.79 2k9z n SER 29 Cb 0.25 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.63 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 0.26 0.85 0.00 -1.46 4.04 -1.26 -0.97 118.70 120.16 2k9z s GLU 30 Ca 0.00 -0.92 0.00 0.00 0.04 0.00 0.00 54.97 54.09 2k9z s GLU 30 Cb 0.00 0.35 0.00 0.00 0.02 0.00 0.00 34.13 34.50 2k9z s GLU 30 CO 0.00 -0.27 0.00 1.97 -1.84 0.00 0.00 175.26 175.12 2k9z n PHE 31 N -0.02 -0.18 -4.13 4.83 -1.74 -0.24 -5.00 117.46 110.97 2k9z n PHE 31 Ca -0.15 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.58 2k9z n PHE 31 Cb 0.62 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.51 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 0.72 1.34 0.09 5.98 -4.77 -1.26 -1.02 116.67 117.75 2k9z s ASP 32 Ca 0.00 -0.59 0.07 0.00 -3.30 0.00 0.00 52.55 48.73 2k9z s ASP 32 Cb 0.00 -0.01 -0.03 0.00 -1.09 0.00 0.00 42.92 41.78 2k9z s ASP 32 CO 0.00 -0.13 -0.18 0.86 0.70 0.00 0.00 175.17 176.42 2k9z s TRP 33 N -1.33 1.58 -0.16 2.11 -0.11 0.13 -4.89 118.94 116.26 2k9z s TRP 33 Ca -0.05 -0.44 0.01 0.00 1.22 0.00 0.00 56.10 56.84 2k9z s TRP 33 Cb -0.10 -0.87 0.02 0.00 -1.50 0.00 0.00 33.47 31.02 2k9z s TRP 33 CO 0.01 0.16 -0.20 -0.47 -4.62 0.00 0.00 176.95 171.83 2k9z s TYR 34 N -1.27 2.65 -0.27 5.86 5.04 -1.26 -1.21 117.35 126.88 2k9z s TYR 34 Ca 0.04 -1.47 -0.19 0.00 -2.44 0.00 0.00 57.07 53.01 2k9z s TYR 34 Cb -0.10 -1.83 -0.02 0.00 0.35 0.00 0.00 41.96 40.36 2k9z s TYR 34 CO 0.04 -0.71 0.56 0.71 -1.34 0.00 0.00 175.55 174.80 2k9z s TYR 35 N 1.13 3.25 -0.26 4.97 2.02 0.12 -4.93 117.35 123.65 2k9z s TYR 35 Ca 0.00 0.63 0.07 0.00 -0.37 0.00 0.00 57.07 57.41 2k9z s TYR 35 Cb -0.14 -2.81 0.16 0.00 -0.40 0.00 0.00 41.96 38.78 2k9z s TYR 35 CO -0.08 -0.34 1.12 -3.47 -1.57 0.00 0.00 175.55 171.20 2k9z n ASP 36 N 5.65 2.44 -4.10 2.29 -0.08 -1.26 -1.28 116.55 120.21 2k9z n ASP 36 Ca -0.03 -2.26 -0.11 0.00 -1.51 0.00 0.00 54.79 50.88 2k9z n ASP 36 Cb 0.49 -0.17 -0.08 0.00 2.34 0.00 0.00 41.12 43.70 2k9z n ASP 36 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2k9z s THR 37 N -1.45 0.00 -0.05 5.18 -4.23 -1.26 -4.73 115.64 109.10 2k9z s THR 37 Ca 0.14 -1.82 -0.29 0.00 -1.18 0.00 0.00 61.69 58.54 2k9z s THR 37 Cb 0.10 -2.42 -0.07 0.00 1.34 0.00 0.00 72.50 71.45 2k9z s THR 37 CO 0.05 0.00 2.01 0.20 -0.54 0.00 0.00 174.62 176.34 2k9z s ASN 38 N -3.13 6.18 -0.54 3.99 0.01 -1.19 -3.92 114.94 116.35 2k9z s ASN 38 Ca 0.34 2.40 0.05 0.00 -0.71 0.00 0.00 52.86 54.94 2k9z s ASN 38 Cb 0.04 -2.52 0.20 0.00 0.41 0.00 0.00 41.25 39.38 2k9z s ASN 38 CO 0.12 -1.31 0.49 1.21 -1.51 0.00 0.00 177.10 176.10 2k9z n GLU 39 N 7.87 1.18 -1.96 -0.60 2.13 -1.26 -0.64 120.64 127.36 2k9z n GLU 39 Ca 0.22 -3.83 -0.38 0.00 0.66 0.00 0.00 57.16 53.83 2k9z n GLU 39 Cb 0.42 -1.87 0.02 0.00 0.27 0.00 0.00 31.44 30.28 2k9z n GLU 39 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 2k9z s THR 40 N -1.07 2.44 0.03 6.31 2.01 -0.39 -4.47 115.64 120.50 2k9z s THR 40 Ca 0.32 0.35 -0.08 0.00 0.31 0.00 0.00 61.69 62.59 2k9z s THR 40 Cb 0.06 -3.19 -0.00 0.00 0.01 0.00 0.00 72.50 69.38 2k9z s THR 40 CO -0.14 0.01 0.15 0.00 -0.69 0.00 0.00 174.62 173.95 2k9z s TYR 42 N -2.32 2.45 0.24 0.00 5.04 -0.38 -1.59 117.35 120.80 2k9z s TYR 42 Ca -0.07 -1.68 -0.30 0.00 -2.44 0.00 0.00 57.07 52.58 2k9z s TYR 42 Cb -0.02 -1.63 -0.09 0.00 0.35 0.00 0.00 41.96 40.56 2k9z s TYR 42 CO -0.03 -0.76 1.27 0.42 -1.34 0.00 0.00 175.55 175.11 2k9z s ILE 43 N 1.38 3.15 0.00 3.14 -1.09 -1.26 -1.90 121.20 124.62 2k9z s ILE 43 Ca -0.03 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 2k9z s ILE 43 Cb -0.17 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.05 2k9z s ILE 43 CO -0.07 0.19 0.00 0.18 -1.23 0.00 0.00 174.94 174.01 2k9z n LEU 44 N 1.95 0.64 -3.84 2.97 4.77 -1.26 -2.36 117.00 119.86 2k9z n LEU 44 Ca 0.03 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.92 2k9z n LEU 44 Cb 0.43 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 2k9z n LEU 44 CO 0.57 0.01 -0.08 -1.83 -1.33 0.00 0.00 177.39 174.74 2k9z s GLU 45 N -1.93 0.86 0.00 3.23 -1.05 -1.26 -4.77 118.70 113.78 2k9z s GLU 45 Ca 0.00 -0.94 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 2k9z s GLU 45 Cb 0.00 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 2k9z s GLU 45 CO 0.00 -0.28 0.00 0.41 0.95 0.00 0.00 175.26 176.34 2k9z n GLY 46 N -0.06 0.45 3.08 -3.83 0.00 -1.25 -2.18 105.19 101.40 2k9z n GLY 46 Ca -0.15 -2.08 -0.12 0.00 0.00 0.00 0.00 46.02 43.67 2k9z n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k9z s LYS 47 N -1.12 0.34 0.06 1.61 -0.14 -1.20 -4.08 119.74 115.22 2k9z s LYS 47 Ca 0.00 -0.08 -0.04 0.00 -1.36 0.00 0.00 55.97 54.49 2k9z s LYS 47 Cb 0.00 0.15 -0.03 0.00 -1.68 0.00 0.00 37.83 36.27 2k9z s LYS 47 CO 0.00 -0.07 0.05 0.08 -0.76 0.00 0.00 175.35 174.65 2k9z s VAL 48 N -0.64 0.19 -0.17 3.17 1.01 -1.24 -1.15 120.40 121.57 2k9z s VAL 48 Ca -0.07 -1.55 0.01 0.00 0.00 0.00 0.00 61.98 60.36 2k9z s VAL 48 Cb -0.04 -1.42 0.02 0.00 0.00 0.00 0.00 36.38 34.94 2k9z s VAL 48 CO 0.01 -0.86 -0.16 -0.70 0.00 0.00 0.00 175.10 173.39 2k9z s GLU 49 N -3.83 2.58 -0.72 2.72 2.12 0.34 -3.14 118.70 118.76 2k9z s GLU 49 Ca 0.06 -0.70 -0.12 0.00 0.36 0.00 0.00 54.97 54.57 2k9z s GLU 49 Cb 0.06 -2.33 0.19 0.00 0.26 0.00 0.00 34.13 32.32 2k9z s GLU 49 CO -0.10 -0.24 0.63 0.08 -0.54 0.00 0.00 175.26 175.09 2k9z s VAL 50 N 1.40 5.05 -0.65 3.70 1.01 0.27 -1.12 120.40 130.06 2k9z s VAL 50 Ca 0.05 -2.39 -0.28 0.00 0.00 0.00 0.00 61.98 59.36 2k9z s VAL 50 Cb -0.13 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.10 2k9z s VAL 50 CO -0.11 -0.96 1.29 -0.89 0.00 0.00 0.00 175.10 174.43 2k9z s THR 51 N 0.40 3.83 0.81 3.92 2.01 -1.18 -1.21 115.64 124.22 2k9z s THR 51 Ca 0.15 0.63 -0.10 0.00 0.31 0.00 0.00 61.69 62.68 2k9z s THR 51 Cb -0.16 -4.74 0.11 0.00 0.01 0.00 0.00 72.50 67.72 2k9z s THR 51 CO -0.06 -1.53 1.15 0.42 -0.69 0.00 0.00 174.62 173.91 2k9z s THR 52 N 5.61 2.11 0.26 -0.82 -4.23 -0.10 -1.17 115.64 117.29 2k9z s THR 52 Ca 0.42 -0.15 0.13 0.00 -1.18 0.00 0.00 61.69 60.91 2k9z s THR 52 Cb -0.08 -2.96 0.03 0.00 1.34 0.00 0.00 72.50 70.83 2k9z s THR 52 CO 0.21 0.00 1.67 -0.08 -0.54 0.00 0.00 174.62 175.87 2k9z h GLU 53 N -1.01 0.00 0.00 3.99 4.57 -1.87 -0.95 114.58 119.31 2k9z h GLU 53 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 2k9z h GLU 53 Cb 1.29 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 2k9z h GLU 53 CO 0.54 0.53 0.00 -3.47 -1.18 0.00 0.00 179.01 175.43 2k9z n ASP 54 N -3.76 0.00 0.00 1.04 2.03 -1.26 -4.87 116.55 109.73 2k9z n ASP 54 Ca -0.01 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.61 2k9z n ASP 54 Cb 0.57 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.36 2.12 3.66 0.27 0.00 -0.36 -5.03 105.19 106.22 2k9z n GLY 55 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.68 4.16 -0.42 1.61 -0.14 -1.25 -4.57 119.74 118.45 2k9z s LYS 56 Ca 0.00 2.41 -0.05 0.00 -1.36 0.00 0.00 55.97 56.97 2k9z s LYS 56 Cb 0.00 -4.06 0.11 0.00 -1.68 0.00 0.00 37.83 32.20 2k9z s LYS 56 CO 0.00 -0.90 0.23 -1.59 -0.76 0.00 0.00 175.35 172.34 2k9z s LYS 57 N 4.20 2.19 -0.51 1.68 -2.85 -1.26 -0.92 119.74 122.27 2k9z s LYS 57 Ca 0.81 -1.75 -0.26 0.00 -1.00 0.00 0.00 55.97 53.77 2k9z s LYS 57 Cb -0.38 -3.67 0.03 0.00 -2.06 0.00 0.00 37.83 31.75 2k9z s LYS 57 CO 0.36 -1.07 1.02 0.71 0.10 0.00 0.00 175.35 176.47 2k9z s TYR 58 N 1.23 2.80 0.34 1.78 2.02 -0.35 -4.84 117.35 120.33 2k9z s TYR 58 Ca 0.06 0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 56.83 2k9z s TYR 58 Cb -0.24 -4.20 -0.10 0.00 -0.40 0.00 0.00 41.96 37.03 2k9z s TYR 58 CO -0.03 -1.29 1.30 0.08 -1.57 0.00 0.00 175.55 174.04 2k9z s VAL 59 N 4.18 2.72 -0.30 0.71 1.01 -1.26 -0.56 120.40 126.89 2k9z s VAL 59 Ca 0.39 0.72 -0.02 0.00 0.00 0.00 0.00 61.98 63.07 2k9z s VAL 59 Cb -0.10 -3.46 0.10 0.00 0.00 0.00 0.00 36.38 32.93 2k9z s VAL 59 CO 0.25 0.17 0.11 0.27 0.00 0.00 0.00 175.10 175.90 2k9z s ILE 60 N -1.15 0.55 0.84 2.22 -4.36 -1.19 -4.97 121.20 113.14 2k9z s ILE 60 Ca 0.49 -1.18 -0.12 0.00 -0.26 0.00 0.00 60.65 59.58 2k9z s ILE 60 Cb -0.40 -1.43 0.12 0.00 1.25 0.00 0.00 42.46 42.00 2k9z s ILE 60 CO 0.53 -0.70 1.19 -1.83 0.24 0.00 0.00 174.94 174.37 2k9z s GLU 61 N 1.78 1.57 0.05 0.37 -1.05 -1.26 -3.69 118.70 116.47 2k9z s GLU 61 Ca 0.10 -0.18 -0.35 0.00 -0.15 0.00 0.00 54.97 54.39 2k9z s GLU 61 Cb -0.17 -1.97 -0.14 0.00 -0.44 0.00 0.00 34.13 31.41 2k9z s GLU 61 CO -0.29 -1.79 1.59 0.36 0.95 0.00 0.00 175.26 176.08 2k9z n LYS 62 N -3.37 1.82 0.00 -4.83 2.85 -1.26 -2.80 118.16 110.57 2k9z n LYS 62 Ca 0.11 0.66 0.00 0.00 -1.05 0.00 0.00 58.31 58.02 2k9z n LYS 62 Cb 0.60 -2.40 0.00 0.00 -0.65 0.00 0.00 35.03 32.58 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 3.46 2.37 3.56 2.58 0.00 -1.00 -4.97 105.19 111.20 2k9z n GLY 63 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 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 0.15 5.43 0.13 1.61 1.11 -1.12 -4.41 116.67 119.56 2k9z s ASP 64 Ca 0.00 0.45 -0.30 0.00 0.18 0.00 0.00 52.55 52.88 2k9z s ASP 64 Cb 0.00 -2.53 -0.06 0.00 1.07 0.00 0.00 42.92 41.40 2k9z s ASP 64 CO 0.00 -2.23 1.05 -0.22 1.18 0.00 0.00 175.17 174.95 2k9z s LEU 65 N 8.51 4.47 0.07 1.23 2.96 0.01 -4.21 118.68 131.73 2k9z s LEU 65 Ca 0.67 1.94 0.08 0.00 -0.22 0.00 0.00 54.13 56.60 2k9z s LEU 65 Cb -0.14 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.93 2k9z s LEU 65 CO 0.23 -0.19 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.18 2k9z s VAL 66 N 0.09 2.72 -0.29 1.68 1.01 -0.62 -1.14 120.40 123.84 2k9z s VAL 66 Ca 0.50 -1.34 -0.03 0.00 0.00 0.00 0.00 61.98 61.10 2k9z s VAL 66 Cb -0.26 -2.18 0.10 0.00 0.00 0.00 0.00 36.38 34.04 2k9z s VAL 66 CO 0.32 0.25 0.13 -0.89 0.00 0.00 0.00 175.10 174.91 2k9z s THR 67 N -0.99 0.07 1.02 3.92 2.01 0.23 -2.19 115.64 119.71 2k9z s THR 67 Ca 0.15 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 2k9z s THR 67 Cb -0.10 -1.08 0.21 0.00 0.01 0.00 0.00 72.50 71.53 2k9z s THR 67 CO 0.07 -0.73 1.08 -0.36 -0.69 0.00 0.00 174.62 173.98 2k9z s PHE 68 N 2.00 1.67 0.73 4.92 0.08 -1.26 -1.32 117.98 124.80 2k9z s PHE 68 Ca 0.09 1.38 -0.05 0.00 0.12 0.00 0.00 56.93 58.47 2k9z s PHE 68 Cb -0.16 -3.19 0.11 0.00 -0.57 0.00 0.00 43.02 39.21 2k9z s PHE 68 CO -0.34 -3.19 1.03 -1.25 -0.10 0.00 0.00 175.22 171.36 2k9z s PRO 69 N -4.64 1.75 -0.91 0.24 0.04 -1.26 -4.45 135.00 125.77 2k9z s PRO 69 Ca 0.67 -0.73 -0.24 0.00 0.04 0.00 0.00 61.00 60.73 2k9z s PRO 69 Cb -0.22 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2k9z s PRO 69 CO 0.61 -1.46 1.68 0.21 0.04 0.00 0.00 177.00 178.08 2k9z s LYS 70 N -5.24 3.03 0.00 4.56 2.20 -1.25 -4.18 119.74 118.85 2k9z s LYS 70 Ca 0.65 -0.54 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 2k9z s LYS 70 Cb -0.07 -5.04 0.00 0.00 -1.51 0.00 0.00 37.83 31.20 2k9z s LYS 70 CO 0.45 -2.75 0.00 0.41 -0.36 0.00 0.00 175.35 173.10 2k9z n GLY 71 N 6.64 1.14 3.25 5.54 0.00 -0.40 -4.89 105.19 116.46 2k9z n GLY 71 Ca 0.32 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 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 0.01 -0.14 0.99 0.20 -0.83 -4.99 118.68 113.92 2k9z s LEU 72 Ca 0.00 0.85 -0.05 0.00 0.69 0.00 0.00 54.13 55.61 2k9z s LEU 72 Cb 0.00 1.28 -0.04 0.00 -0.43 0.00 0.00 46.19 47.01 2k9z s LEU 72 CO 0.00 -0.19 0.05 -0.60 -0.29 0.00 0.00 176.35 175.32 2k9z s ARG 73 N 1.28 3.59 0.21 1.98 3.52 -1.26 -0.70 118.95 127.57 2k9z s ARG 73 Ca -0.09 -0.34 -0.13 0.00 -0.13 0.00 0.00 55.73 55.04 2k9z s ARG 73 Cb -0.08 -3.06 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 2k9z s ARG 73 CO -0.11 0.47 0.43 0.00 -0.81 0.00 0.00 175.30 175.28 2k9z s ARG 75 N -3.97 2.57 -0.28 0.00 0.52 -0.32 -0.70 118.95 116.78 2k9z s ARG 75 Ca 0.18 0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 55.90 2k9z s ARG 75 Cb 0.00 -1.98 0.11 0.00 0.52 0.00 0.00 34.95 33.61 2k9z s ARG 75 CO 0.04 -1.26 0.21 -1.58 0.02 0.00 0.00 175.30 172.72 2k9z s TRP 76 N -3.28 -0.06 -0.46 -0.53 0.52 -0.19 -3.11 118.94 111.83 2k9z s TRP 76 Ca 0.59 -0.48 -0.19 0.00 0.02 0.00 0.00 56.10 56.04 2k9z s TRP 76 Cb -0.12 -0.67 0.04 0.00 -1.15 0.00 0.00 33.47 31.57 2k9z s TRP 76 CO 0.53 -0.84 0.55 0.21 0.02 0.00 0.00 176.95 177.41 2k9z s LYS 77 N 2.23 3.13 -0.38 4.98 2.47 -0.28 -1.08 119.74 130.81 2k9z s LYS 77 Ca 0.09 -0.80 -0.29 0.00 -1.56 0.00 0.00 55.97 53.41 2k9z s LYS 77 Cb -0.15 -4.03 0.01 0.00 -1.46 0.00 0.00 37.83 32.19 2k9z s LYS 77 CO -0.33 -1.05 1.35 0.08 0.16 0.00 0.00 175.35 175.56 2k9z s VAL 78 N 2.43 4.01 -0.06 4.02 1.01 -0.14 -0.51 120.40 131.16 2k9z s VAL 78 Ca 0.15 1.07 0.13 0.00 0.00 0.00 0.00 61.98 63.33 2k9z s VAL 78 Cb -0.18 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 31.87 2k9z s VAL 78 CO 0.13 -0.68 1.09 -0.07 0.00 0.00 0.00 175.10 175.58 2k9z h LEU 79 N 11.66 0.00 -7.43 3.92 3.38 -1.39 -3.29 115.31 122.15 2k9z h LEU 79 Ca -0.27 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 2k9z h LEU 79 Cb 1.10 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.68 2k9z h LEU 79 CO 1.07 0.73 -0.16 -1.61 0.09 0.00 0.00 178.44 178.57 2k9z s GLU 80 N -2.83 0.86 0.10 1.13 2.02 -0.42 -4.93 118.70 114.64 2k9z s GLU 80 Ca -0.00 -0.36 -0.35 0.00 0.02 0.00 0.00 54.97 54.29 2k9z s GLU 80 Cb 0.09 0.38 -0.14 0.00 0.10 0.00 0.00 34.13 34.56 2k9z s GLU 80 CO 0.80 -0.28 1.58 -0.35 0.02 0.00 0.00 175.26 177.03 2k9z n PRO 81 N 0.64 1.95 -4.16 0.39 -0.04 -1.26 -3.22 135.00 129.29 2k9z n PRO 81 Ca -0.19 0.70 -0.16 0.00 -0.04 0.00 0.00 63.50 63.81 2k9z n PRO 81 Cb 0.59 -2.46 -0.15 0.00 -0.04 0.00 0.00 33.50 31.44 2k9z n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k9z s VAL 82 N 1.36 0.43 -0.53 0.52 0.11 -1.26 -3.78 120.40 117.24 2k9z s VAL 82 Ca 0.82 -0.20 0.07 0.00 -2.93 0.00 0.00 61.98 59.74 2k9z s VAL 82 Cb -0.74 -0.38 0.27 0.00 -1.53 0.00 0.00 36.38 34.00 2k9z s VAL 82 CO 0.42 0.13 0.70 -1.14 -3.33 0.00 0.00 175.10 171.88 2k9z n ARG 83 N 3.14 1.89 -2.40 1.54 0.63 -0.93 -3.96 116.66 116.57 2k9z n ARG 83 Ca -0.15 -4.11 -0.32 0.00 -0.92 0.00 0.00 57.85 52.34 2k9z n ARG 83 Cb 0.57 -1.87 -0.03 0.00 0.45 0.00 0.00 32.46 31.58 2k9z n ARG 83 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 2k9z s LYS 84 N -2.17 3.94 0.03 -0.14 0.00 -1.16 -4.27 119.74 115.97 2k9z s LYS 84 Ca 0.39 0.95 -0.12 0.00 0.00 0.00 0.00 55.97 57.19 2k9z s LYS 84 Cb 0.19 -2.14 -0.06 0.00 0.00 0.00 0.00 37.83 35.82 2k9z s LYS 84 CO -0.06 -0.27 0.38 -1.01 0.00 0.00 0.00 175.35 174.38 2k9z s HIS 85 N -2.63 3.65 0.14 1.78 3.76 -0.80 -2.35 115.29 118.85 2k9z s HIS 85 Ca 0.59 0.85 0.05 0.00 -0.15 0.00 0.00 55.06 56.39 2k9z s HIS 85 Cb -0.10 -2.19 -0.04 0.00 1.11 0.00 0.00 32.58 31.36 2k9z s HIS 85 CO 0.32 0.60 -0.11 1.52 -0.85 0.00 0.00 174.74 176.21 2k9z s TYR 86 N -1.22 1.28 -0.10 1.40 1.13 -0.92 -1.25 117.35 117.67 2k9z s TYR 86 Ca 0.27 -0.72 -0.06 0.00 -1.41 0.00 0.00 57.07 55.16 2k9z s TYR 86 Cb -0.15 -0.65 0.04 0.00 -1.10 0.00 0.00 41.96 40.10 2k9z s TYR 86 CO 0.15 0.10 0.24 1.21 -2.51 0.00 0.00 175.55 174.73 2k9z s ASN 87 N -3.04 -0.25 0.05 -0.18 2.47 -0.24 -3.70 114.94 110.06 2k9z s ASN 87 Ca 0.15 0.50 -0.23 0.00 0.42 0.00 0.00 52.86 53.69 2k9z s ASN 87 Cb 0.01 0.42 -0.06 0.00 -1.45 0.00 0.00 41.25 40.17 2k9z s ASN 87 CO 0.01 -0.14 0.71 -0.76 -3.72 0.00 0.00 177.10 173.20 2k9z s LEU 88 N 0.92 4.47 0.00 3.21 1.43 -1.26 -1.27 118.68 126.18 2k9z s LEU 88 Ca -0.07 1.39 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 43.01 2k9z s LEU 88 CO -0.06 0.08 0.00 2.22 0.23 0.00 0.00 176.35 178.82