#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 1.32 -0.44 0.03 8.01 -1.26 -4.60 118.70 121.75 2k9z s GLU 2 Ca 0.00 0.89 -0.27 0.00 0.01 0.00 0.00 54.97 55.59 2k9z s GLU 2 Cb 0.00 -1.81 0.04 0.00 -4.31 0.00 0.00 34.13 28.05 2k9z s GLU 2 CO 0.00 -2.21 0.63 0.28 0.01 0.00 0.00 175.26 173.97 2k9z n VAL 3 N -3.87 -7.55 -2.40 2.63 0.31 -1.26 -4.89 118.33 101.29 2k9z n VAL 3 Ca 0.07 0.49 -0.43 0.00 -0.01 0.00 0.00 64.34 64.46 2k9z n VAL 3 Cb 0.55 -5.44 -0.02 0.00 -0.91 0.00 0.00 33.84 28.01 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 -2.55 4.16 -0.06 5.55 2.47 -0.88 -4.96 119.74 123.47 2k9z s LYS 4 Ca 0.31 1.60 0.02 0.00 -1.56 0.00 0.00 55.97 56.34 2k9z s LYS 4 Cb -0.05 -3.80 0.02 0.00 -1.46 0.00 0.00 37.83 32.53 2k9z s LYS 4 CO 0.82 -0.81 -0.09 0.42 0.16 0.00 0.00 175.35 175.85 2k9z s ILE 5 N 3.73 0.91 0.33 5.43 1.01 -1.26 -0.92 121.20 130.43 2k9z s ILE 5 Ca 0.56 -0.34 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 2k9z s ILE 5 Cb -0.21 -0.86 0.02 0.00 0.01 0.00 0.00 42.46 41.42 2k9z s ILE 5 CO 0.17 0.31 0.64 -1.83 0.00 0.00 0.00 174.94 174.23 2k9z s GLU 6 N 0.78 1.95 -0.77 2.79 -1.05 -0.68 -5.02 118.70 116.70 2k9z s GLU 6 Ca -0.13 -1.41 -0.03 0.00 -0.15 0.00 0.00 54.97 53.25 2k9z s GLU 6 Cb -0.15 0.55 0.19 0.00 -0.44 0.00 0.00 34.13 34.28 2k9z s GLU 6 CO 0.02 -0.87 0.62 0.15 0.95 0.00 0.00 175.26 176.13 2k9z s LYS 7 N -3.09 2.96 0.90 -4.83 3.01 -1.26 -1.06 119.74 116.37 2k9z s LYS 7 Ca 0.20 -2.90 -0.12 0.00 -1.01 0.00 0.00 55.97 52.14 2k9z s LYS 7 Cb -0.03 -3.87 0.13 0.00 -1.01 0.00 0.00 37.83 33.05 2k9z s LYS 7 CO 0.12 -1.23 1.09 -1.25 0.51 0.00 0.00 175.35 174.60 2k9z s PRO 8 N -0.69 1.19 0.48 -1.68 0.04 -1.26 -5.02 135.00 128.06 2k9z s PRO 8 Ca 0.22 0.82 -0.24 0.00 0.04 0.00 0.00 61.00 61.85 2k9z s PRO 8 Cb -0.13 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.54 2k9z s PRO 8 CO -0.08 -2.29 1.39 -0.08 0.04 0.00 0.00 177.00 175.98 2k9z s THR 9 N -2.92 2.13 -0.17 1.26 -1.32 -1.26 -4.93 115.64 108.43 2k9z s THR 9 Ca 0.64 0.11 0.29 0.00 -1.21 0.00 0.00 61.69 61.52 2k9z s THR 9 Cb -0.18 -3.06 0.34 0.00 -1.51 0.00 0.00 72.50 68.09 2k9z s THR 9 CO 0.57 0.01 1.86 1.55 -2.21 0.00 0.00 174.62 176.40 2k9z h PRO 10 N 2.02 0.00 0.21 7.08 0.13 -2.00 -3.27 132.00 136.17 2k9z h PRO 10 Ca -0.51 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.60 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 179.20 2k9z h GLU 11 N 0.00 -0.27 -0.28 0.86 5.08 -2.01 -2.94 114.58 115.02 2k9z h GLU 11 Ca 0.00 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2k9z h GLU 11 Cb 0.54 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2k9z h GLU 11 CO 0.00 -0.02 0.08 -0.22 -1.00 0.00 0.00 179.01 177.85 2k9z h LYS 12 N -0.50 0.40 0.00 2.33 3.64 -1.97 -0.11 116.57 120.35 2k9z h LYS 12 Ca -0.03 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 2k9z h LYS 12 Cb 0.38 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2k9z h LYS 12 CO 0.05 0.36 -0.08 -0.07 -2.27 0.00 0.00 179.45 177.44 2k9z h LEU 13 N 0.40 0.00 -0.05 5.20 3.38 -1.61 0.14 115.31 122.78 2k9z h LEU 13 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 2k9z h LEU 13 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2k9z h LEU 13 CO -0.01 0.08 -0.01 0.11 0.09 0.00 0.00 178.44 178.70 2k9z h LYS 14 N 0.00 0.09 -0.34 1.13 1.79 -0.84 -3.15 116.57 115.24 2k9z h LYS 14 Ca -0.00 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.34 2k9z h LYS 14 Cb 0.25 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.88 2k9z h LYS 14 CO 0.01 0.44 -0.18 0.93 -1.08 0.00 0.00 179.45 179.56 2k9z h GLU 15 N -0.26 0.64 0.00 3.15 5.08 -1.04 0.03 114.58 122.18 2k9z h GLU 15 Ca 0.01 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2k9z h GLU 15 Cb 0.40 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k9z h GLU 15 CO 0.00 0.79 0.02 1.28 -1.00 0.00 0.00 179.01 180.11 2k9z n LEU 16 N -4.14 0.26 -2.91 1.33 4.32 -0.10 -4.86 117.00 110.90 2k9z n LEU 16 Ca 0.00 0.61 -0.22 0.00 -0.02 0.00 0.00 56.01 56.39 2k9z n LEU 16 Cb 0.39 -0.64 0.03 0.00 -1.62 0.00 0.00 43.42 41.58 2k9z n LEU 16 CO 0.43 -0.70 -0.01 -1.54 -1.22 0.00 0.00 177.39 174.35 2k9z n SER 17 N -1.85 -6.02 0.03 -1.43 3.41 -0.00 -4.94 113.62 102.83 2k9z n SER 17 Ca -0.01 -0.27 0.17 0.00 -0.26 0.00 0.00 58.87 58.50 2k9z n SER 17 Cb 0.04 -4.84 0.66 0.00 -0.26 0.00 0.00 64.21 59.80 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 -1.32 0.80 0.00 -3.33 2.07 -1.73 0.20 116.25 112.94 2k9z h VAL 18 Ca -0.52 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2k9z h VAL 18 Cb 1.36 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.87 2k9z h VAL 18 CO 0.56 0.01 -0.01 1.05 0.02 0.00 0.00 177.57 179.20 2k9z h GLU 19 N 0.05 0.00 -0.00 1.57 4.11 -1.90 -1.93 114.58 116.49 2k9z h GLU 19 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 2k9z h GLU 19 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2k9z h GLU 19 CO -0.01 0.01 -0.53 1.63 0.07 0.00 0.00 179.01 180.17 2k9z n LYS 20 N -3.98 0.17 -1.45 1.06 5.02 0.70 -4.92 118.16 114.76 2k9z n LYS 20 Ca -0.03 -0.11 -0.31 0.00 -2.02 0.00 0.00 58.31 55.84 2k9z n LYS 20 Cb 0.09 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.68 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 -2.90 2.83 0.27 2.13 0.52 -0.73 -4.99 118.94 116.07 2k9z s TRP 21 Ca 0.13 1.38 -0.30 0.00 0.02 0.00 0.00 56.10 57.34 2k9z s TRP 21 Cb 0.18 -3.00 -0.10 0.00 -1.15 0.00 0.00 33.47 29.39 2k9z s TRP 21 CO 0.69 -1.61 1.42 -1.25 0.02 0.00 0.00 176.95 176.22 2k9z s PRO 22 N -5.02 4.27 0.60 4.98 0.04 -1.25 -4.89 135.00 133.73 2k9z s PRO 22 Ca 0.60 2.31 -0.17 0.00 0.04 0.00 0.00 61.00 63.78 2k9z s PRO 22 Cb -0.15 -3.09 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 2k9z s PRO 22 CO 0.55 -0.39 1.11 0.42 0.04 0.00 0.00 177.00 178.74 2k9z s ILE 23 N -0.29 3.25 0.04 0.56 1.01 -1.26 -2.22 121.20 122.29 2k9z s ILE 23 Ca 0.57 0.68 0.02 0.00 0.00 0.00 0.00 60.65 61.92 2k9z s ILE 23 Cb -0.42 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.81 2k9z s ILE 23 CO 0.47 -0.27 -0.07 0.86 0.00 0.00 0.00 174.94 175.92 2k9z s TRP 24 N -2.07 0.63 0.04 3.97 -0.00 -1.10 -4.90 118.94 115.51 2k9z s TRP 24 Ca 0.69 -0.46 0.01 0.00 -0.00 0.00 0.00 56.10 56.34 2k9z s TRP 24 Cb -0.22 -0.38 -0.03 0.00 -0.00 0.00 0.00 33.47 32.84 2k9z s TRP 24 CO 0.34 -0.08 -0.05 -1.83 -0.00 0.00 0.00 176.95 175.32 2k9z s GLU 25 N -1.44 0.50 0.13 5.86 -1.05 -1.26 -1.98 118.70 119.46 2k9z s GLU 25 Ca -0.09 -0.86 -0.20 0.00 -0.15 0.00 0.00 54.97 53.67 2k9z s GLU 25 Cb -0.09 -0.05 0.05 0.00 -0.44 0.00 0.00 34.13 33.60 2k9z s GLU 25 CO 0.00 -0.02 0.50 0.21 0.95 0.00 0.00 175.26 176.90 2k9z s LYS 26 N -2.22 1.15 0.97 -4.83 2.47 -1.18 -5.01 119.74 111.09 2k9z s LYS 26 Ca -0.06 -0.55 -0.12 0.00 -1.56 0.00 0.00 55.97 53.67 2k9z s LYS 26 Cb -0.05 0.52 0.17 0.00 -1.46 0.00 0.00 37.83 37.01 2k9z s LYS 26 CO -0.02 -0.47 1.09 -2.00 0.16 0.00 0.00 175.35 174.11 2k9z s GLU 27 N -3.61 0.68 0.00 4.03 2.12 -1.26 -3.26 118.70 117.40 2k9z s GLU 27 Ca 0.01 0.64 0.00 0.00 0.36 0.00 0.00 54.97 55.98 2k9z s GLU 27 Cb 0.00 -1.76 0.00 0.00 0.26 0.00 0.00 34.13 32.64 2k9z s GLU 27 CO -0.11 -2.59 1.74 1.55 -0.54 0.00 0.00 175.26 175.31 2k9z n VAL 28 N -4.10 1.74 -2.79 3.70 3.14 -1.26 -4.69 118.33 114.08 2k9z n VAL 28 Ca 0.06 -0.39 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 2k9z n VAL 28 Cb 0.56 -1.38 0.00 0.00 -1.06 0.00 0.00 33.84 31.96 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 1.32 0.03 -3.94 6.55 2.88 -1.23 -4.80 113.62 114.44 2k9z n SER 29 Ca 0.00 -0.77 -0.11 0.00 -1.33 0.00 0.00 58.87 56.66 2k9z n SER 29 Cb 0.48 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.82 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 -0.86 0.19 0.36 -1.46 -1.05 -1.26 -0.44 118.70 114.18 2k9z s GLU 30 Ca 0.00 -0.34 -0.05 0.00 -0.15 0.00 0.00 54.97 54.43 2k9z s GLU 30 Cb 0.00 0.02 0.02 0.00 -0.44 0.00 0.00 34.13 33.73 2k9z s GLU 30 CO 0.00 -0.02 0.56 -0.59 0.95 0.00 0.00 175.26 176.17 2k9z s PHE 31 N -0.77 0.85 -0.10 4.83 -0.12 -0.55 -5.00 117.98 117.12 2k9z s PHE 31 Ca -0.08 -1.20 0.03 0.00 -0.05 0.00 0.00 56.93 55.64 2k9z s PHE 31 Cb -0.05 0.15 0.00 0.00 -0.63 0.00 0.00 43.02 42.49 2k9z s PHE 31 CO -0.00 -1.27 -0.21 0.16 -0.05 0.00 0.00 175.22 173.84 2k9z s ASP 32 N -3.21 2.86 0.28 1.98 -4.77 -1.26 -0.10 116.67 112.46 2k9z s ASP 32 Ca 0.27 -0.52 0.10 0.00 -3.30 0.00 0.00 52.55 49.10 2k9z s ASP 32 Cb -0.02 -1.31 -0.05 0.00 -1.09 0.00 0.00 42.92 40.45 2k9z s ASP 32 CO 0.19 0.12 -0.06 0.86 0.70 0.00 0.00 175.17 176.98 2k9z s TRP 33 N 0.51 2.56 -0.20 2.11 -0.11 -0.28 -4.96 118.94 118.58 2k9z s TRP 33 Ca -0.16 -0.29 -0.00 0.00 1.22 0.00 0.00 56.10 56.87 2k9z s TRP 33 Cb -0.17 -1.18 0.05 0.00 -1.50 0.00 0.00 33.47 30.67 2k9z s TRP 33 CO 0.06 0.62 -0.03 -0.47 -4.62 0.00 0.00 176.95 172.51 2k9z s TYR 34 N -2.41 1.86 -0.10 5.86 6.14 -1.26 -1.75 117.35 125.69 2k9z s TYR 34 Ca 0.32 -1.32 -0.25 0.00 0.64 0.00 0.00 57.07 56.45 2k9z s TYR 34 Cb -0.05 -1.37 -0.03 0.00 0.42 0.00 0.00 41.96 40.93 2k9z s TYR 34 CO 0.18 -0.68 0.78 0.71 0.64 0.00 0.00 175.55 177.18 2k9z s TYR 35 N 1.58 3.53 0.00 4.97 2.02 -0.04 -4.95 117.35 124.46 2k9z s TYR 35 Ca -0.02 1.30 0.00 0.00 -0.37 0.00 0.00 57.07 57.97 2k9z s TYR 35 Cb -0.17 -2.92 0.00 0.00 -0.40 0.00 0.00 41.96 38.47 2k9z s TYR 35 CO -0.07 -0.05 0.33 -3.47 -1.57 0.00 0.00 175.55 170.72 2k9z n ASP 36 N 4.35 0.66 -3.86 2.29 2.03 -1.26 -0.88 116.55 119.88 2k9z n ASP 36 Ca 0.02 -0.84 -0.10 0.00 0.52 0.00 0.00 54.79 54.39 2k9z n ASP 36 Cb 0.50 0.30 -0.05 0.00 -0.72 0.00 0.00 41.12 41.15 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 -0.30 0.00 0.47 5.18 -4.23 -1.26 -4.27 115.64 111.22 2k9z s THR 37 Ca 0.00 -1.47 -0.22 0.00 -1.18 0.00 0.00 61.69 58.82 2k9z s THR 37 Cb 0.00 -2.32 -0.08 0.00 1.34 0.00 0.00 72.50 71.44 2k9z s THR 37 CO 0.00 0.00 1.11 0.20 -0.54 0.00 0.00 174.62 175.39 2k9z s ASN 38 N -3.07 6.25 -0.17 3.99 0.01 -1.26 -3.77 114.94 116.92 2k9z s ASN 38 Ca 0.25 2.16 -0.06 0.00 -0.71 0.00 0.00 52.86 54.50 2k9z s ASN 38 Cb -0.00 -2.59 0.08 0.00 0.41 0.00 0.00 41.25 39.15 2k9z s ASN 38 CO 0.11 -0.85 0.35 -0.70 -1.51 0.00 0.00 177.10 174.50 2k9z s GLU 39 N -2.85 0.25 -0.20 -0.60 2.12 -0.59 -0.76 118.70 116.06 2k9z s GLU 39 Ca 0.65 0.89 -0.14 0.00 0.36 0.00 0.00 54.97 56.73 2k9z s GLU 39 Cb -0.24 0.14 -0.04 0.00 0.26 0.00 0.00 34.13 34.24 2k9z s GLU 39 CO 0.29 -0.28 0.30 0.99 -0.54 0.00 0.00 175.26 176.02 2k9z s THR 40 N 2.53 5.28 -0.06 -1.70 2.01 -0.81 -1.30 115.64 121.58 2k9z s THR 40 Ca 0.00 0.50 -0.02 0.00 0.31 0.00 0.00 61.69 62.48 2k9z s THR 40 Cb -0.12 -3.63 0.04 0.00 0.01 0.00 0.00 72.50 68.79 2k9z s THR 40 CO -0.11 0.31 0.11 0.00 -0.69 0.00 0.00 174.62 174.24 2k9z s TYR 42 N 1.64 3.14 -0.40 0.00 5.04 -0.48 -0.83 117.35 125.47 2k9z s TYR 42 Ca -0.03 -0.22 -0.29 0.00 -2.44 0.00 0.00 57.07 54.09 2k9z s TYR 42 Cb -0.12 -2.19 0.02 0.00 0.35 0.00 0.00 41.96 40.02 2k9z s TYR 42 CO -0.05 -0.17 1.21 0.42 -1.34 0.00 0.00 175.55 175.62 2k9z s ILE 43 N 1.19 4.20 -0.09 3.14 -1.09 -0.73 -2.46 121.20 125.35 2k9z s ILE 43 Ca 0.05 1.29 0.21 0.00 -2.23 0.00 0.00 60.65 59.96 2k9z s ILE 43 Cb -0.14 -4.40 -0.26 0.00 -1.58 0.00 0.00 42.46 36.08 2k9z s ILE 43 CO 0.03 -0.74 0.54 0.18 -1.23 0.00 0.00 174.94 173.72 2k9z n LEU 44 N 7.79 0.20 -3.58 2.97 4.32 -0.33 -2.57 117.00 125.80 2k9z n LEU 44 Ca 0.13 0.08 -0.11 0.00 -0.02 0.00 0.00 56.01 56.09 2k9z n LEU 44 Cb 0.48 0.06 -0.05 0.00 -1.62 0.00 0.00 43.42 42.29 2k9z n LEU 44 CO 0.67 0.05 0.73 -1.83 -1.22 0.00 0.00 177.39 175.79 2k9z s GLU 45 N -3.31 0.64 0.00 3.23 -1.05 -1.18 -4.89 118.70 112.13 2k9z s GLU 45 Ca -0.07 0.20 0.00 0.00 -0.15 0.00 0.00 54.97 54.95 2k9z s GLU 45 Cb 0.12 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 34.11 2k9z s GLU 45 CO 0.87 -0.19 0.00 0.41 0.95 0.00 0.00 175.26 177.30 2k9z n GLY 46 N 0.88 0.56 3.01 -3.83 0.00 -1.26 -1.06 105.19 103.50 2k9z n GLY 46 Ca -0.11 -2.11 -0.18 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.12 0.65 0.01 1.61 2.36 -1.23 -4.09 119.74 117.93 2k9z s LYS 47 Ca 0.00 -0.32 -0.02 0.00 -2.55 0.00 0.00 55.97 53.08 2k9z s LYS 47 Cb 0.00 -0.63 -0.01 0.00 -1.05 0.00 0.00 37.83 36.14 2k9z s LYS 47 CO 0.00 0.17 0.02 0.08 1.55 0.00 0.00 175.35 177.17 2k9z s VAL 48 N -0.26 0.08 -0.42 4.02 1.01 -1.24 -1.28 120.40 122.31 2k9z s VAL 48 Ca 0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2k9z s VAL 48 Cb -0.04 -0.25 0.11 0.00 0.00 0.00 0.00 36.38 36.21 2k9z s VAL 48 CO -0.00 -0.37 0.22 -1.61 0.00 0.00 0.00 175.10 173.34 2k9z s GLU 49 N -1.12 2.05 0.71 2.72 2.02 0.31 -3.09 118.70 122.31 2k9z s GLU 49 Ca -0.12 -1.84 -0.13 0.00 0.02 0.00 0.00 54.97 52.90 2k9z s GLU 49 Cb -0.07 -3.61 0.02 0.00 0.10 0.00 0.00 34.13 30.57 2k9z s GLU 49 CO -0.00 -1.09 1.09 0.08 0.02 0.00 0.00 175.26 175.36 2k9z s VAL 50 N 1.12 3.40 -0.11 2.63 1.01 -0.39 -0.79 120.40 127.26 2k9z s VAL 50 Ca 0.08 0.54 -0.08 0.00 0.00 0.00 0.00 61.98 62.52 2k9z s VAL 50 Cb -0.23 -3.06 0.04 0.00 0.00 0.00 0.00 36.38 33.12 2k9z s VAL 50 CO -0.04 -0.51 0.29 0.28 0.00 0.00 0.00 175.10 175.11 2k9z s THR 51 N -2.68 -0.01 0.85 3.92 -1.32 -0.91 -0.57 115.64 114.93 2k9z s THR 51 Ca 0.63 0.05 -0.11 0.00 -1.21 0.00 0.00 61.69 61.06 2k9z s THR 51 Cb -0.18 -0.42 0.15 0.00 -1.51 0.00 0.00 72.50 70.54 2k9z s THR 51 CO 0.49 0.02 1.19 0.42 -2.21 0.00 0.00 174.62 174.53 2k9z s THR 52 N 0.61 2.07 0.40 5.08 -4.23 -0.44 -0.51 115.64 118.63 2k9z s THR 52 Ca -0.04 -0.16 0.21 0.00 -1.18 0.00 0.00 61.69 60.52 2k9z s THR 52 Cb -0.05 -2.91 0.23 0.00 1.34 0.00 0.00 72.50 71.11 2k9z s THR 52 CO -0.04 0.00 2.00 -0.08 -0.54 0.00 0.00 174.62 175.96 2k9z h GLU 53 N -1.18 0.00 0.00 3.99 4.57 -1.90 0.36 114.58 120.42 2k9z h GLU 53 Ca -0.43 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.75 2k9z h GLU 53 Cb 1.27 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 2k9z h GLU 53 CO 0.45 0.18 0.00 -0.25 -1.18 0.00 0.00 179.01 178.22 2k9z n ASP 54 N -3.89 0.00 0.00 1.04 9.92 -1.26 -4.85 116.55 117.51 2k9z n ASP 54 Ca -0.02 0.06 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2k9z n ASP 54 Cb 0.28 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 2k9z n ASP 54 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2k9z n GLY 55 N -0.59 0.49 3.70 0.44 0.00 0.12 -4.99 105.19 104.36 2k9z n GLY 55 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.51 4.23 0.23 1.61 -0.14 -1.26 -4.81 119.74 119.10 2k9z s LYS 56 Ca 0.00 2.26 -0.18 0.00 -1.36 0.00 0.00 55.97 56.69 2k9z s LYS 56 Cb 0.00 -3.37 -0.08 0.00 -1.68 0.00 0.00 37.83 32.70 2k9z s LYS 56 CO 0.00 -0.62 0.71 0.15 -0.76 0.00 0.00 175.35 174.83 2k9z s LYS 57 N 1.78 4.18 -0.45 1.68 3.01 -1.26 -1.32 119.74 127.36 2k9z s LYS 57 Ca 0.70 0.79 0.03 0.00 -1.01 0.00 0.00 55.97 56.48 2k9z s LYS 57 Cb -0.40 -2.81 0.15 0.00 -1.01 0.00 0.00 37.83 33.77 2k9z s LYS 57 CO 0.31 0.36 0.31 0.71 0.51 0.00 0.00 175.35 177.55 2k9z s TYR 58 N -1.59 1.60 0.47 3.18 2.02 0.27 -4.97 117.35 118.33 2k9z s TYR 58 Ca 0.44 -2.34 -0.24 0.00 -0.37 0.00 0.00 57.07 54.55 2k9z s TYR 58 Cb -0.15 -1.43 -0.07 0.00 -0.40 0.00 0.00 41.96 39.90 2k9z s TYR 58 CO 0.20 -0.78 1.42 0.54 -1.57 0.00 0.00 175.55 175.37 2k9z s VAL 59 N 0.14 2.03 -0.02 0.71 0.11 -1.26 -1.26 120.40 120.85 2k9z s VAL 59 Ca 0.24 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.32 2k9z s VAL 59 Cb -0.11 -3.01 0.02 0.00 -1.53 0.00 0.00 36.38 31.75 2k9z s VAL 59 CO -0.10 0.00 0.01 0.27 -3.33 0.00 0.00 175.10 171.96 2k9z s ILE 60 N -1.22 0.05 0.52 7.04 -4.36 -1.18 -4.95 121.20 117.11 2k9z s ILE 60 Ca 0.64 0.11 0.04 0.00 -0.26 0.00 0.00 60.65 61.17 2k9z s ILE 60 Cb -0.43 -0.14 0.04 0.00 1.25 0.00 0.00 42.46 43.18 2k9z s ILE 60 CO 0.55 0.09 0.32 -0.62 0.24 0.00 0.00 174.94 175.52 2k9z n GLU 61 N 3.86 0.72 -1.80 0.37 4.71 -1.26 -3.71 120.64 123.53 2k9z n GLU 61 Ca -0.23 -3.38 -0.42 0.00 -0.01 0.00 0.00 57.16 53.12 2k9z n GLU 61 Cb 0.53 0.47 -0.03 0.00 -1.01 0.00 0.00 31.44 31.40 2k9z n GLU 61 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2k9z s LYS 62 N -4.10 3.05 0.00 3.49 2.20 -1.26 -1.86 119.74 121.25 2k9z s LYS 62 Ca 0.24 1.58 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 2k9z s LYS 62 Cb -0.02 -4.33 0.00 0.00 -1.51 0.00 0.00 37.83 31.97 2k9z s LYS 62 CO 0.15 -2.20 0.00 0.41 -0.36 0.00 0.00 175.35 173.35 2k9z n GLY 63 N 5.65 1.43 3.64 5.54 0.00 -1.06 -5.04 105.19 115.35 2k9z n GLY 63 Ca 0.27 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.14 6.80 0.30 1.61 1.11 -0.78 -4.43 116.67 120.13 2k9z s ASP 64 Ca 0.00 0.99 -0.20 0.00 0.18 0.00 0.00 52.55 53.52 2k9z s ASP 64 Cb 0.00 -2.42 -0.09 0.00 1.07 0.00 0.00 42.92 41.48 2k9z s ASP 64 CO 0.00 -0.47 0.80 -0.22 1.18 0.00 0.00 175.17 176.46 2k9z s LEU 65 N 2.66 4.21 0.06 1.23 2.96 -0.22 -1.78 118.68 127.80 2k9z s LEU 65 Ca 0.33 1.50 0.04 0.00 -0.22 0.00 0.00 54.13 55.78 2k9z s LEU 65 Cb -0.15 -3.94 -0.03 0.00 0.50 0.00 0.00 46.19 42.57 2k9z s LEU 65 CO 0.08 -0.11 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.20 2k9z s VAL 66 N -1.76 0.87 -0.19 1.68 1.01 -0.01 -1.69 120.40 120.31 2k9z s VAL 66 Ca 0.50 -1.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2k9z s VAL 66 Cb -0.14 -0.86 0.05 0.00 0.00 0.00 0.00 36.38 35.43 2k9z s VAL 66 CO 0.19 -0.27 -0.00 -0.89 0.00 0.00 0.00 175.10 174.14 2k9z s THR 67 N -1.26 0.83 0.32 3.92 2.01 -0.10 -0.77 115.64 120.60 2k9z s THR 67 Ca -0.05 -0.66 -0.25 0.00 0.31 0.00 0.00 61.69 61.04 2k9z s THR 67 Cb -0.10 -1.20 -0.10 0.00 0.01 0.00 0.00 72.50 71.11 2k9z s THR 67 CO 0.01 -0.09 0.93 -0.36 -0.69 0.00 0.00 174.62 174.42 2k9z s PHE 68 N 1.73 3.66 0.84 4.92 0.08 -0.42 -2.07 117.98 126.73 2k9z s PHE 68 Ca -0.01 1.74 -0.08 0.00 0.12 0.00 0.00 56.93 58.70 2k9z s PHE 68 Cb -0.17 -2.90 0.17 0.00 -0.57 0.00 0.00 43.02 39.55 2k9z s PHE 68 CO -0.07 0.19 1.16 -1.25 -0.10 0.00 0.00 175.22 175.15 2k9z s PRO 69 N -2.14 1.14 -0.83 0.24 0.04 -1.26 -1.55 135.00 130.64 2k9z s PRO 69 Ca 0.51 -0.78 -0.25 0.00 0.04 0.00 0.00 61.00 60.52 2k9z s PRO 69 Cb -0.18 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 2k9z s PRO 69 CO 0.23 -1.95 1.72 0.21 0.04 0.00 0.00 177.00 177.25 2k9z s LYS 70 N -5.52 2.89 0.00 4.56 2.20 -1.25 -4.22 119.74 118.40 2k9z s LYS 70 Ca 0.70 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 56.07 2k9z s LYS 70 Cb -0.04 -4.84 0.00 0.00 -1.51 0.00 0.00 37.83 31.44 2k9z s LYS 70 CO 0.49 -2.79 0.00 0.41 -0.36 0.00 0.00 175.35 173.10 2k9z n GLY 71 N 6.37 0.44 3.39 5.54 0.00 -1.05 -4.80 105.19 115.07 2k9z n GLY 71 Ca 0.28 -0.68 -0.13 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 0.13 -0.24 0.99 2.96 -0.06 -4.99 118.68 117.47 2k9z s LEU 72 Ca 0.00 0.95 0.01 0.00 -0.22 0.00 0.00 54.13 54.87 2k9z s LEU 72 Cb 0.00 1.69 0.06 0.00 0.50 0.00 0.00 46.19 48.45 2k9z s LEU 72 CO 0.00 -0.19 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.65 2k9z s ARG 73 N 0.17 1.73 0.14 1.98 3.00 -1.26 -0.86 118.95 123.85 2k9z s ARG 73 Ca -0.01 -1.10 -0.01 0.00 0.00 0.00 0.00 55.73 54.61 2k9z s ARG 73 Cb -0.03 -2.66 -0.04 0.00 0.00 0.00 0.00 34.95 32.21 2k9z s ARG 73 CO 0.01 -0.61 0.07 0.00 0.00 0.00 0.00 175.30 174.77 2k9z s ARG 75 N -4.07 3.28 -0.20 0.00 3.00 0.33 -1.12 118.95 120.17 2k9z s ARG 75 Ca 0.27 0.27 -0.02 0.00 0.00 0.00 0.00 55.73 56.26 2k9z s ARG 75 Cb 0.07 -2.24 0.06 0.00 0.00 0.00 0.00 34.95 32.84 2k9z s ARG 75 CO 0.04 -0.53 0.01 -1.58 0.00 0.00 0.00 175.30 173.24 2k9z s TRP 76 N -2.98 1.41 -0.47 -0.53 0.52 0.86 -2.13 118.94 115.63 2k9z s TRP 76 Ca 0.52 -1.10 -0.13 0.00 0.02 0.00 0.00 56.10 55.41 2k9z s TRP 76 Cb -0.11 -1.18 0.09 0.00 -1.15 0.00 0.00 33.47 31.12 2k9z s TRP 76 CO 0.48 -0.65 0.38 0.21 0.02 0.00 0.00 176.95 177.38 2k9z s LYS 77 N 1.73 2.85 -0.72 4.98 2.20 0.03 -1.48 119.74 129.32 2k9z s LYS 77 Ca -0.02 -1.48 -0.25 0.00 -0.36 0.00 0.00 55.97 53.86 2k9z s LYS 77 Cb -0.17 -4.06 0.04 0.00 -1.51 0.00 0.00 37.83 32.13 2k9z s LYS 77 CO -0.07 -1.08 1.18 0.08 -0.36 0.00 0.00 175.35 175.09 2k9z s VAL 78 N 1.56 3.93 -0.80 4.02 1.01 0.41 -0.53 120.40 130.00 2k9z s VAL 78 Ca 0.04 0.13 0.25 0.00 0.00 0.00 0.00 61.98 62.39 2k9z s VAL 78 Cb -0.25 -4.84 0.04 0.00 0.00 0.00 0.00 36.38 31.33 2k9z s VAL 78 CO 0.04 -1.73 1.39 0.18 0.00 0.00 0.00 175.10 174.98 2k9z n LEU 79 N 8.80 0.58 -3.74 3.92 4.77 -0.41 -3.51 117.00 127.43 2k9z n LEU 79 Ca 0.01 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 2k9z n LEU 79 Cb 0.48 -0.22 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 2k9z n LEU 79 CO 0.69 0.02 0.05 -1.61 -1.33 0.00 0.00 177.39 175.21 2k9z s GLU 80 N -3.09 0.81 0.34 3.23 0.41 -0.76 -4.91 118.70 114.72 2k9z s GLU 80 Ca 0.08 -0.42 -0.28 0.00 -0.41 0.00 0.00 54.97 53.94 2k9z s GLU 80 Cb 0.15 0.35 -0.12 0.00 -1.78 0.00 0.00 34.13 32.74 2k9z s GLU 80 CO 0.70 -0.26 1.40 -0.35 -0.49 0.00 0.00 175.26 176.27 2k9z n PRO 81 N 0.68 2.37 -4.34 0.39 -0.04 -1.26 -3.51 135.00 129.28 2k9z n PRO 81 Ca -0.19 0.83 -0.21 0.00 -0.04 0.00 0.00 63.50 63.89 2k9z n PRO 81 Cb 0.59 -2.49 -0.11 0.00 -0.04 0.00 0.00 33.50 31.45 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 -0.89 1.83 -0.14 0.52 0.11 -1.20 -4.20 120.40 116.42 2k9z s VAL 82 Ca 0.57 -1.97 -0.01 0.00 -2.93 0.00 0.00 61.98 57.64 2k9z s VAL 82 Cb -0.54 -1.88 0.04 0.00 -1.53 0.00 0.00 36.38 32.47 2k9z s VAL 82 CO 0.60 -0.36 -0.05 -0.60 -3.33 0.00 0.00 175.10 171.37 2k9z s ARG 83 N -2.93 1.34 -0.15 1.54 3.52 -0.22 -3.10 118.95 118.95 2k9z s ARG 83 Ca 0.17 -0.36 -0.01 0.00 -0.13 0.00 0.00 55.73 55.40 2k9z s ARG 83 Cb -0.05 -1.77 0.04 0.00 -1.56 0.00 0.00 34.95 31.61 2k9z s ARG 83 CO 0.07 -0.38 -0.05 -1.59 -0.81 0.00 0.00 175.30 172.55 2k9z s LYS 84 N 1.70 1.32 -0.05 5.12 0.00 -0.84 -1.18 119.74 125.82 2k9z s LYS 84 Ca 0.02 -0.41 -0.30 0.00 0.00 0.00 0.00 55.97 55.28 2k9z s LYS 84 Cb -0.14 -1.86 -0.06 0.00 0.00 0.00 0.00 37.83 35.77 2k9z s LYS 84 CO -0.08 -0.41 1.67 -1.01 0.00 0.00 0.00 175.35 175.52 2k9z s HIS 85 N 1.69 1.95 0.34 1.78 3.76 -1.03 -2.72 115.29 121.07 2k9z s HIS 85 Ca 0.02 0.17 0.09 0.00 -0.15 0.00 0.00 55.06 55.19 2k9z s HIS 85 Cb -0.15 -3.93 -0.06 0.00 1.11 0.00 0.00 32.58 29.55 2k9z s HIS 85 CO -0.08 -3.92 -0.08 1.52 -0.85 0.00 0.00 174.74 171.33 2k9z s TYR 86 N 4.07 2.42 -0.19 1.40 1.13 -0.94 -1.38 117.35 123.86 2k9z s TYR 86 Ca 0.74 -0.49 -0.09 0.00 -1.41 0.00 0.00 57.07 55.82 2k9z s TYR 86 Cb -0.34 -1.39 0.07 0.00 -1.10 0.00 0.00 41.96 39.21 2k9z s TYR 86 CO 0.30 0.57 0.44 1.21 -2.51 0.00 0.00 175.55 175.56 2k9z s ASN 87 N -3.62 -0.46 0.46 -0.18 2.47 0.18 -3.81 114.94 109.99 2k9z s ASN 87 Ca 0.33 0.99 -0.22 0.00 0.42 0.00 0.00 52.86 54.38 2k9z s ASN 87 Cb 0.02 1.07 -0.08 0.00 -1.45 0.00 0.00 41.25 40.81 2k9z s ASN 87 CO 0.17 -0.21 1.07 -0.76 -3.72 0.00 0.00 177.10 173.64 2k9z s LEU 88 N 1.92 3.94 0.00 3.21 1.43 -1.26 -1.93 118.68 125.98 2k9z s LEU 88 Ca -0.06 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 2k9z s LEU 88 Cb -0.10 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.70 2k9z s LEU 88 CO -0.13 -0.77 0.00 2.22 0.23 0.00 0.00 176.35 177.90