#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 1.64 -0.25 3.17 0.41 -1.26 -4.95 118.70 117.47 2k9z s GLU 2 Ca 0.00 -1.51 -0.16 0.00 -0.41 0.00 0.00 54.97 52.88 2k9z s GLU 2 Cb 0.00 -1.89 0.02 0.00 -1.78 0.00 0.00 34.13 30.48 2k9z s GLU 2 CO 0.00 0.40 0.31 0.28 -0.49 0.00 0.00 175.26 175.75 2k9z n VAL 3 N 0.09 -5.02 -1.97 2.63 0.31 -1.26 -4.84 118.33 108.27 2k9z n VAL 3 Ca -0.11 0.57 -0.43 0.00 -0.01 0.00 0.00 64.34 64.36 2k9z n VAL 3 Cb 0.56 -4.19 -0.03 0.00 -0.91 0.00 0.00 33.84 29.28 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 -1.79 3.77 0.07 5.55 2.36 -1.07 -4.91 119.74 123.72 2k9z s LYS 4 Ca 0.17 1.89 0.05 0.00 -2.55 0.00 0.00 55.97 55.53 2k9z s LYS 4 Cb -0.02 -4.10 -0.04 0.00 -1.05 0.00 0.00 37.83 32.62 2k9z s LYS 4 CO 0.51 -1.34 -0.05 0.42 1.55 0.00 0.00 175.35 176.44 2k9z s ILE 5 N 5.48 3.72 0.34 5.43 1.01 -1.26 -1.30 121.20 134.62 2k9z s ILE 5 Ca 0.78 -1.00 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 2k9z s ILE 5 Cb -0.29 -2.72 0.03 0.00 0.01 0.00 0.00 42.46 39.49 2k9z s ILE 5 CO 0.32 0.20 0.70 -1.83 0.00 0.00 0.00 174.94 174.33 2k9z s GLU 6 N -2.01 2.01 -0.71 2.79 -1.05 -0.82 -5.01 118.70 113.91 2k9z s GLU 6 Ca 0.22 -1.34 -0.00 0.00 -0.15 0.00 0.00 54.97 53.70 2k9z s GLU 6 Cb -0.11 0.59 0.18 0.00 -0.44 0.00 0.00 34.13 34.34 2k9z s GLU 6 CO 0.14 -0.92 0.53 0.15 0.95 0.00 0.00 175.26 176.11 2k9z s LYS 7 N -3.00 2.68 0.96 -4.83 3.01 -1.26 -0.95 119.74 116.34 2k9z s LYS 7 Ca 0.17 -2.92 -0.12 0.00 -1.01 0.00 0.00 55.97 52.08 2k9z s LYS 7 Cb -0.04 -3.69 0.16 0.00 -1.01 0.00 0.00 37.83 33.25 2k9z s LYS 7 CO 0.11 -1.21 1.09 -1.25 0.51 0.00 0.00 175.35 174.60 2k9z s PRO 8 N -0.74 0.77 0.37 -1.68 0.04 -1.26 -5.03 135.00 127.47 2k9z s PRO 8 Ca 0.22 0.64 -0.16 0.00 0.04 0.00 0.00 61.00 61.74 2k9z s PRO 8 Cb -0.14 -1.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.54 2k9z s PRO 8 CO -0.08 -2.53 0.81 0.95 0.04 0.00 0.00 177.00 176.19 2k9z s THR 9 N -2.95 4.62 0.42 1.26 -4.23 -1.26 -4.98 115.64 108.51 2k9z s THR 9 Ca 0.64 1.04 0.11 0.00 -1.18 0.00 0.00 61.69 62.31 2k9z s THR 9 Cb -0.18 -3.63 0.18 0.00 1.34 0.00 0.00 72.50 70.21 2k9z s THR 9 CO 0.57 -0.30 1.97 1.55 -0.54 0.00 0.00 174.62 177.87 2k9z h PRO 10 N 1.93 0.18 -0.08 3.99 0.13 -1.99 -2.07 132.00 134.08 2k9z h PRO 10 Ca -0.48 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 2k9z h PRO 10 Cb 1.18 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k9z h PRO 10 CO 0.64 0.29 0.03 0.93 -0.23 0.00 0.00 178.00 179.66 2k9z h GLU 11 N 0.17 0.13 -0.86 0.86 5.08 -2.01 -3.02 114.58 114.93 2k9z h GLU 11 Ca 0.04 -0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 2k9z h GLU 11 Cb 0.29 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2k9z h GLU 11 CO 0.02 0.26 0.56 -0.22 -1.00 0.00 0.00 179.01 178.63 2k9z h LYS 12 N -0.03 0.96 0.00 2.33 1.63 -1.81 0.50 116.57 120.15 2k9z h LYS 12 Ca 0.03 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2k9z h LYS 12 Cb 0.19 -0.22 -0.00 0.00 -0.60 0.00 0.00 32.23 31.59 2k9z h LYS 12 CO -0.00 0.64 -0.11 -0.07 -3.45 0.00 0.00 179.45 176.45 2k9z h LEU 13 N 0.99 0.00 -0.40 5.20 3.38 -1.35 -1.29 115.31 121.84 2k9z h LEU 13 Ca 0.36 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 2k9z h LEU 13 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2k9z h LEU 13 CO -0.13 0.11 -0.03 0.11 0.09 0.00 0.00 178.44 178.60 2k9z h LYS 14 N 0.00 0.73 -0.26 1.13 1.79 -0.77 -3.02 116.57 116.17 2k9z h LYS 14 Ca -0.00 -0.25 -0.00 0.00 -2.18 0.00 0.00 60.65 58.22 2k9z h LYS 14 Cb 0.25 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 2k9z h LYS 14 CO 0.01 0.83 0.15 0.93 -1.08 0.00 0.00 179.45 180.29 2k9z h GLU 15 N 0.55 0.35 0.00 3.15 5.08 -0.98 -1.08 114.58 121.66 2k9z h GLU 15 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 2k9z h GLU 15 Cb 0.52 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2k9z h GLU 15 CO 0.03 0.30 0.00 1.28 -1.00 0.00 0.00 179.01 179.62 2k9z n LEU 16 N -4.86 0.00 -2.87 1.33 4.77 -0.84 -4.87 117.00 109.67 2k9z n LEU 16 Ca -0.02 0.21 -0.21 0.00 -0.03 0.00 0.00 56.01 55.96 2k9z n LEU 16 Cb 0.07 -0.21 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 2k9z n LEU 16 CO 0.35 -0.16 -0.09 -1.20 -1.33 0.00 0.00 177.39 174.96 2k9z n SER 17 N -1.21 -5.33 0.26 -1.43 7.64 -0.41 -4.86 113.62 108.27 2k9z n SER 17 Ca 0.04 -0.18 0.18 0.00 1.01 0.00 0.00 58.87 59.92 2k9z n SER 17 Cb 0.05 -4.38 0.91 0.00 -1.01 0.00 0.00 64.21 59.78 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 -0.82 0.27 -0.62 0.44 2.07 -1.76 0.26 116.25 116.09 2k9z h VAL 18 Ca -0.47 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.23 2k9z h VAL 18 Cb 1.33 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2k9z h VAL 18 CO 0.54 0.00 0.44 1.05 0.02 0.00 0.00 177.57 179.62 2k9z h GLU 19 N 0.00 0.00 0.00 1.57 4.11 -1.89 -2.85 114.58 115.52 2k9z h GLU 19 Ca 0.05 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.45 2k9z h GLU 19 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2k9z h GLU 19 CO -0.00 0.00 -0.60 1.57 0.07 0.00 0.00 179.01 180.05 2k9z h LYS 20 N 0.00 0.00 -7.36 1.06 2.10 -0.84 -3.48 116.57 108.05 2k9z h LYS 20 Ca 0.29 0.00 -0.49 0.00 -2.00 0.00 0.00 60.65 58.45 2k9z h LYS 20 Cb 1.18 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.64 2k9z h LYS 20 CO -0.00 0.11 0.30 -1.58 -2.00 0.00 0.00 179.45 176.27 2k9z s TRP 21 N -3.20 2.59 0.20 0.07 0.52 -1.08 -4.96 118.94 113.08 2k9z s TRP 21 Ca 0.03 1.28 -0.30 0.00 0.02 0.00 0.00 56.10 57.12 2k9z s TRP 21 Cb 0.07 -3.11 -0.09 0.00 -1.15 0.00 0.00 33.47 29.19 2k9z s TRP 21 CO 0.74 -2.00 1.41 -1.25 0.02 0.00 0.00 176.95 175.87 2k9z s PRO 22 N -5.01 4.30 0.43 4.98 0.04 -1.25 -4.95 135.00 133.55 2k9z s PRO 22 Ca 0.62 2.20 -0.24 0.00 0.04 0.00 0.00 61.00 63.62 2k9z s PRO 22 Cb -0.16 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.13 2k9z s PRO 22 CO 0.56 -0.41 1.16 0.42 0.04 0.00 0.00 177.00 178.78 2k9z s ILE 23 N 0.40 3.14 0.00 0.56 1.01 -1.26 -2.84 121.20 122.22 2k9z s ILE 23 Ca 0.61 0.90 0.00 0.00 0.00 0.00 0.00 60.65 62.16 2k9z s ILE 23 Cb -0.40 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.59 2k9z s ILE 23 CO 0.38 0.03 -0.01 0.86 0.00 0.00 0.00 174.94 176.19 2k9z s TRP 24 N -1.50 0.13 0.25 3.97 -0.00 -0.48 -4.89 118.94 116.43 2k9z s TRP 24 Ca 0.61 -0.08 0.05 0.00 -0.00 0.00 0.00 56.10 56.68 2k9z s TRP 24 Cb -0.29 -0.08 -0.05 0.00 -0.00 0.00 0.00 33.47 33.04 2k9z s TRP 24 CO 0.36 -0.02 -0.03 -1.83 -0.00 0.00 0.00 176.95 175.43 2k9z s GLU 25 N -0.19 1.42 0.09 5.86 -1.05 -1.26 -1.22 118.70 122.35 2k9z s GLU 25 Ca -0.01 -1.72 -0.12 0.00 -0.15 0.00 0.00 54.97 52.97 2k9z s GLU 25 Cb -0.02 -0.86 0.02 0.00 -0.44 0.00 0.00 34.13 32.83 2k9z s GLU 25 CO -0.00 -0.03 0.29 0.15 0.95 0.00 0.00 175.26 176.61 2k9z s LYS 26 N -3.80 0.91 0.83 -4.83 -0.14 -1.24 -5.00 119.74 106.47 2k9z s LYS 26 Ca 0.28 -0.77 -0.10 0.00 -1.36 0.00 0.00 55.97 54.03 2k9z s LYS 26 Cb 0.05 0.39 0.14 0.00 -1.68 0.00 0.00 37.83 36.73 2k9z s LYS 26 CO 0.10 -0.32 1.16 -2.00 -0.76 0.00 0.00 175.35 173.53 2k9z s GLU 27 N -3.54 1.35 0.00 1.68 2.12 -1.26 -2.23 118.70 116.81 2k9z s GLU 27 Ca 0.02 -0.54 0.00 0.00 0.36 0.00 0.00 54.97 54.81 2k9z s GLU 27 Cb 0.03 -2.06 0.00 0.00 0.26 0.00 0.00 34.13 32.36 2k9z s GLU 27 CO -0.10 -1.84 0.30 1.55 -0.54 0.00 0.00 175.26 174.64 2k9z n VAL 28 N -3.30 0.00 -3.32 3.70 3.14 -1.26 -4.72 118.33 112.58 2k9z n VAL 28 Ca 0.13 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.13 2k9z n VAL 28 Cb 0.60 -0.31 -0.06 0.00 -1.06 0.00 0.00 33.84 33.01 2k9z n VAL 28 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 2k9z s SER 29 N -1.54 6.83 0.91 6.55 1.04 -1.26 -4.68 113.70 121.55 2k9z s SER 29 Ca 0.00 0.99 -0.12 0.00 0.48 0.00 0.00 55.95 57.30 2k9z s SER 29 Cb 0.00 -2.31 0.14 0.00 0.10 0.00 0.00 66.02 63.95 2k9z s SER 29 CO 0.00 0.12 1.11 -1.61 0.98 0.00 0.00 173.24 173.84 2k9z s GLU 30 N -0.12 1.13 0.05 4.02 8.01 -1.26 -4.33 118.70 126.21 2k9z s GLU 30 Ca 0.27 0.50 -0.04 0.00 0.01 0.00 0.00 54.97 55.71 2k9z s GLU 30 Cb -0.17 -1.82 0.02 0.00 -4.31 0.00 0.00 34.13 27.85 2k9z s GLU 30 CO 0.14 -2.25 0.21 1.97 0.01 0.00 0.00 175.26 175.33 2k9z n PHE 31 N -3.84 -0.91 -4.57 1.61 -1.74 -1.02 -4.99 117.46 102.00 2k9z n PHE 31 Ca 0.06 -0.31 -0.26 0.00 -0.56 0.00 0.00 57.45 56.38 2k9z n PHE 31 Cb 0.57 0.15 -0.14 0.00 1.52 0.00 0.00 39.48 41.59 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 -1.50 2.72 0.17 5.98 1.47 -1.26 -1.35 116.67 122.90 2k9z s ASP 32 Ca 0.04 -0.60 0.09 0.00 1.18 0.00 0.00 52.55 53.26 2k9z s ASP 32 Cb -0.01 -0.20 -0.04 0.00 -0.34 0.00 0.00 42.92 42.33 2k9z s ASP 32 CO 0.02 0.15 -0.12 0.86 0.68 0.00 0.00 175.17 176.76 2k9z s TRP 33 N -0.92 2.60 -0.29 2.11 -0.11 0.07 -4.88 118.94 117.52 2k9z s TRP 33 Ca 0.09 -0.23 0.02 0.00 1.22 0.00 0.00 56.10 57.20 2k9z s TRP 33 Cb -0.09 -1.29 0.08 0.00 -1.50 0.00 0.00 33.47 30.66 2k9z s TRP 33 CO 0.03 0.49 -0.01 -0.47 -4.62 0.00 0.00 176.95 172.37 2k9z s TYR 34 N -1.61 2.98 -0.60 5.86 6.14 -1.26 -1.40 117.35 127.47 2k9z s TYR 34 Ca 0.24 -2.32 -0.28 0.00 0.64 0.00 0.00 57.07 55.35 2k9z s TYR 34 Cb -0.09 -2.14 0.02 0.00 0.42 0.00 0.00 41.96 40.17 2k9z s TYR 34 CO 0.14 -0.87 1.28 0.71 0.64 0.00 0.00 175.55 177.45 2k9z s TYR 35 N 1.19 2.45 -1.28 4.97 2.02 -0.04 -4.88 117.35 121.78 2k9z s TYR 35 Ca 0.01 0.37 0.17 0.00 -0.37 0.00 0.00 57.07 57.25 2k9z s TYR 35 Cb -0.19 -4.49 0.52 0.00 -0.40 0.00 0.00 41.96 37.40 2k9z s TYR 35 CO -0.09 -1.79 1.44 -0.40 -1.57 0.00 0.00 175.55 173.14 2k9z n ASP 36 N 8.96 3.70 -4.05 2.29 5.75 -1.26 -0.23 116.55 131.71 2k9z n ASP 36 Ca 0.09 -2.15 -0.10 0.00 -0.01 0.00 0.00 54.79 52.62 2k9z n ASP 36 Cb 0.49 -0.41 -0.07 0.00 -1.03 0.00 0.00 41.12 40.10 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 -1.28 0.02 0.33 2.12 -4.23 -1.26 -4.41 115.64 106.92 2k9z s THR 37 Ca 0.39 -1.58 -0.29 0.00 -1.18 0.00 0.00 61.69 59.02 2k9z s THR 37 Cb 0.22 -2.16 -0.12 0.00 1.34 0.00 0.00 72.50 71.78 2k9z s THR 37 CO 0.23 -0.11 1.47 0.59 -0.54 0.00 0.00 174.62 176.26 2k9z n ASN 38 N -0.29 3.48 -3.61 3.99 3.02 -1.24 -4.31 115.26 116.30 2k9z n ASN 38 Ca -0.03 1.19 -0.22 0.00 -0.03 0.00 0.00 54.58 55.50 2k9z n ASN 38 Cb 0.63 -1.56 -0.16 0.00 -0.61 0.00 0.00 39.78 38.08 2k9z n ASN 38 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2k9z s GLU 39 N -1.32 0.05 0.42 3.52 2.12 -1.17 -2.12 118.70 120.20 2k9z s GLU 39 Ca 0.59 0.19 -0.22 0.00 0.36 0.00 0.00 54.97 55.89 2k9z s GLU 39 Cb -0.52 -1.14 -0.11 0.00 0.26 0.00 0.00 34.13 32.62 2k9z s GLU 39 CO 0.57 -0.53 0.95 0.99 -0.54 0.00 0.00 175.26 176.70 2k9z s THR 40 N 2.21 4.33 -0.08 -1.70 2.01 -0.41 -0.72 115.64 121.28 2k9z s THR 40 Ca 0.04 1.52 -0.06 0.00 0.31 0.00 0.00 61.69 63.50 2k9z s THR 40 Cb -0.14 -3.66 0.02 0.00 0.01 0.00 0.00 72.50 68.74 2k9z s THR 40 CO -0.08 -0.24 0.20 0.00 -0.69 0.00 0.00 174.62 173.80 2k9z s TYR 42 N 0.35 3.24 -0.15 0.00 5.04 -0.39 -1.35 117.35 124.08 2k9z s TYR 42 Ca -0.02 -0.56 -0.29 0.00 -2.44 0.00 0.00 57.07 53.75 2k9z s TYR 42 Cb -0.03 -2.53 -0.02 0.00 0.35 0.00 0.00 41.96 39.73 2k9z s TYR 42 CO -0.01 -0.54 1.25 0.42 -1.34 0.00 0.00 175.55 175.33 2k9z s ILE 43 N 1.67 4.28 -0.11 3.14 -1.09 -1.25 -2.34 121.20 125.50 2k9z s ILE 43 Ca 0.05 1.56 0.18 0.00 -2.23 0.00 0.00 60.65 60.20 2k9z s ILE 43 Cb -0.19 -4.00 -0.26 0.00 -1.58 0.00 0.00 42.46 36.43 2k9z s ILE 43 CO 0.09 -0.12 0.24 0.18 -1.23 0.00 0.00 174.94 174.10 2k9z n LEU 44 N 6.46 0.00 -3.54 2.97 4.32 -0.86 -2.88 117.00 123.47 2k9z n LEU 44 Ca 0.14 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 56.05 2k9z n LEU 44 Cb 0.45 0.24 -0.02 0.00 -1.62 0.00 0.00 43.42 42.47 2k9z n LEU 44 CO 0.56 0.24 0.79 -1.83 -1.22 0.00 0.00 177.39 175.93 2k9z s GLU 45 N -2.88 0.65 0.00 3.23 -1.05 -1.19 -4.73 118.70 112.73 2k9z s GLU 45 Ca -0.08 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 54.54 2k9z s GLU 45 Cb 0.09 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 2k9z s GLU 45 CO 0.79 -0.27 0.00 0.41 0.95 0.00 0.00 175.26 177.13 2k9z n GLY 46 N -0.07 -0.46 3.04 -3.83 0.00 -1.26 -1.87 105.19 100.73 2k9z n GLY 46 Ca -0.06 -2.24 -0.10 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 -0.21 0.46 -0.18 1.61 2.36 -1.09 -4.52 119.74 118.17 2k9z s LYS 47 Ca 0.00 -0.79 -0.14 0.00 -2.55 0.00 0.00 55.97 52.50 2k9z s LYS 47 Cb 0.00 -0.05 0.05 0.00 -1.05 0.00 0.00 37.83 36.78 2k9z s LYS 47 CO 0.00 -0.02 0.46 0.54 1.55 0.00 0.00 175.35 177.89 2k9z s VAL 48 N -1.87 -0.01 -0.24 4.02 0.11 -1.21 -0.76 120.40 120.45 2k9z s VAL 48 Ca -0.09 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 58.99 2k9z s VAL 48 Cb -0.07 -0.66 0.07 0.00 -1.53 0.00 0.00 36.38 34.19 2k9z s VAL 48 CO -0.02 0.01 -0.00 -1.61 -3.33 0.00 0.00 175.10 170.16 2k9z s GLU 49 N 0.76 1.23 0.30 1.54 2.02 -0.06 -1.29 118.70 123.20 2k9z s GLU 49 Ca -0.04 -0.92 -0.21 0.00 0.02 0.00 0.00 54.97 53.82 2k9z s GLU 49 Cb -0.05 -2.42 -0.09 0.00 0.10 0.00 0.00 34.13 31.67 2k9z s GLU 49 CO -0.06 -0.69 0.82 0.08 0.02 0.00 0.00 175.26 175.43 2k9z s VAL 50 N 1.51 4.46 -0.08 2.63 1.01 -0.16 -0.78 120.40 128.99 2k9z s VAL 50 Ca -0.01 1.40 -0.03 0.00 0.00 0.00 0.00 61.98 63.34 2k9z s VAL 50 Cb -0.18 -3.81 0.04 0.00 0.00 0.00 0.00 36.38 32.43 2k9z s VAL 50 CO -0.10 0.03 0.07 -0.89 0.00 0.00 0.00 175.10 174.20 2k9z s THR 51 N -1.75 -0.08 1.09 3.92 2.01 -0.64 -0.26 115.64 119.94 2k9z s THR 51 Ca 0.50 0.25 -0.13 0.00 0.31 0.00 0.00 61.69 62.62 2k9z s THR 51 Cb -0.15 -0.29 0.24 0.00 0.01 0.00 0.00 72.50 72.31 2k9z s THR 51 CO 0.20 0.05 1.06 0.42 -0.69 0.00 0.00 174.62 175.66 2k9z s THR 52 N 2.15 2.05 0.37 -0.82 -4.23 -0.90 -1.50 115.64 112.75 2k9z s THR 52 Ca 0.04 0.02 0.11 0.00 -1.18 0.00 0.00 61.69 60.68 2k9z s THR 52 Cb -0.13 -2.27 0.34 0.00 1.34 0.00 0.00 72.50 71.78 2k9z s THR 52 CO -0.05 -0.02 1.86 1.05 -0.54 0.00 0.00 174.62 176.92 2k9z h GLU 53 N -2.30 0.59 0.00 3.99 4.11 -1.92 -2.57 114.58 116.49 2k9z h GLU 53 Ca -0.58 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 58.81 2k9z h GLU 53 Cb 1.33 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k9z h GLU 53 CO 0.53 0.39 0.00 -3.47 0.07 0.00 0.00 179.01 176.54 2k9z n ASP 54 N -4.56 0.00 0.00 3.06 2.03 -1.26 -4.83 116.55 110.99 2k9z n ASP 54 Ca 0.18 -0.10 0.00 0.00 0.52 0.00 0.00 54.79 55.39 2k9z n ASP 54 Cb 0.54 -0.10 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 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 -0.53 0.50 3.56 0.27 0.00 -0.97 -4.96 105.19 103.06 2k9z n GLY 55 Ca 0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.43 2.99 0.40 1.61 -0.14 -1.26 -4.91 119.74 118.00 2k9z s LYS 56 Ca 0.00 0.47 -0.24 0.00 -1.36 0.00 0.00 55.97 54.84 2k9z s LYS 56 Cb 0.00 -4.25 -0.09 0.00 -1.68 0.00 0.00 37.83 31.81 2k9z s LYS 56 CO 0.00 -2.32 1.05 0.21 -0.76 0.00 0.00 175.35 173.54 2k9z s LYS 57 N 6.23 4.14 -0.21 1.68 2.47 -1.26 -2.13 119.74 130.65 2k9z s LYS 57 Ca 0.58 1.51 -0.04 0.00 -1.56 0.00 0.00 55.97 56.46 2k9z s LYS 57 Cb -0.12 -2.52 0.08 0.00 -1.46 0.00 0.00 37.83 33.82 2k9z s LYS 57 CO 0.22 -0.16 0.16 0.71 0.16 0.00 0.00 175.35 176.44 2k9z s TYR 58 N -1.67 0.00 0.28 4.03 2.02 0.64 -4.98 117.35 117.67 2k9z s TYR 58 Ca 0.58 -0.22 -0.29 0.00 -0.37 0.00 0.00 57.07 56.77 2k9z s TYR 58 Cb -0.22 -0.60 -0.10 0.00 -0.40 0.00 0.00 41.96 40.65 2k9z s TYR 58 CO 0.27 -0.63 1.25 0.08 -1.57 0.00 0.00 175.55 174.95 2k9z s VAL 59 N 2.21 3.08 0.07 0.71 1.01 -1.26 -0.99 120.40 125.22 2k9z s VAL 59 Ca 0.06 1.02 0.08 0.00 0.00 0.00 0.00 61.98 63.13 2k9z s VAL 59 Cb -0.16 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 2k9z s VAL 59 CO -0.17 0.22 -0.21 0.27 0.00 0.00 0.00 175.10 175.21 2k9z s ILE 60 N -0.81 1.67 0.29 2.22 -0.00 -0.41 -4.96 121.20 119.21 2k9z s ILE 60 Ca 0.50 -1.32 0.05 0.00 -0.00 0.00 0.00 60.65 59.87 2k9z s ILE 60 Cb -0.37 -1.48 -0.02 0.00 -0.00 0.00 0.00 42.46 40.60 2k9z s ILE 60 CO 0.46 0.10 0.29 -0.62 -0.00 0.00 0.00 174.94 175.17 2k9z n GLU 61 N 1.56 0.42 -1.65 0.37 1.02 -1.26 -3.31 120.64 117.79 2k9z n GLU 61 Ca -0.18 -2.76 -0.16 0.00 -0.02 0.00 0.00 57.16 54.04 2k9z n GLU 61 Cb 0.53 2.35 -0.09 0.00 -0.02 0.00 0.00 31.44 34.22 2k9z n GLU 61 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 2k9z s LYS 62 N -3.05 1.53 0.00 3.49 -2.85 -1.26 -1.44 119.74 116.16 2k9z s LYS 62 Ca 0.32 -0.08 0.00 0.00 -1.00 0.00 0.00 55.97 55.22 2k9z s LYS 62 Cb 0.01 -4.92 0.00 0.00 -2.06 0.00 0.00 37.83 30.86 2k9z s LYS 62 CO 0.23 -4.81 0.00 0.41 0.10 0.00 0.00 175.35 171.27 2k9z n GLY 63 N 6.47 0.42 3.49 0.59 0.00 -1.14 -4.97 105.19 110.05 2k9z n GLY 63 Ca 0.44 0.00 -0.43 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 6.30 0.40 1.61 1.01 -0.52 -4.37 116.67 121.09 2k9z s ASP 64 Ca 0.00 -0.55 -0.24 0.00 0.71 0.00 0.00 52.55 52.47 2k9z s ASP 64 Cb 0.00 -2.36 -0.09 0.00 1.01 0.00 0.00 42.92 41.48 2k9z s ASP 64 CO 0.00 -1.01 1.02 -0.22 0.21 0.00 0.00 175.17 175.17 2k9z s LEU 65 N 3.23 4.13 0.13 1.23 2.96 -0.12 -3.82 118.68 126.41 2k9z s LEU 65 Ca 0.23 1.96 0.06 0.00 -0.22 0.00 0.00 54.13 56.16 2k9z s LEU 65 Cb -0.15 -4.22 -0.04 0.00 0.50 0.00 0.00 46.19 42.28 2k9z s LEU 65 CO 0.17 -0.43 -0.14 -0.69 -1.32 0.00 0.00 176.35 173.94 2k9z s VAL 66 N -1.72 1.33 -0.04 1.68 1.01 -0.45 -1.94 120.40 120.27 2k9z s VAL 66 Ca 0.58 -1.76 -0.01 0.00 0.00 0.00 0.00 61.98 60.78 2k9z s VAL 66 Cb -0.20 -1.58 0.03 0.00 0.00 0.00 0.00 36.38 34.63 2k9z s VAL 66 CO 0.25 -0.45 0.03 -0.89 0.00 0.00 0.00 175.10 174.04 2k9z s THR 67 N -2.27 0.04 0.36 3.92 2.01 -0.42 -1.46 115.64 117.82 2k9z s THR 67 Ca 0.10 0.28 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 2k9z s THR 67 Cb -0.04 -0.23 -0.07 0.00 0.01 0.00 0.00 72.50 72.17 2k9z s THR 67 CO 0.03 0.17 0.73 -0.36 -0.69 0.00 0.00 174.62 174.50 2k9z s PHE 68 N 1.75 3.44 0.99 4.92 0.08 0.10 -2.60 117.98 126.66 2k9z s PHE 68 Ca 0.00 1.06 -0.17 0.00 0.12 0.00 0.00 56.93 57.94 2k9z s PHE 68 Cb -0.12 -2.43 0.23 0.00 -0.57 0.00 0.00 43.02 40.12 2k9z s PHE 68 CO -0.03 -0.00 1.35 -1.25 -0.10 0.00 0.00 175.22 175.19 2k9z s PRO 69 N -3.50 0.36 -0.61 0.24 0.04 -1.26 -3.03 135.00 127.23 2k9z s PRO 69 Ca 0.51 -0.52 -0.26 0.00 0.04 0.00 0.00 61.00 60.78 2k9z s PRO 69 Cb -0.10 -1.82 0.04 0.00 0.04 0.00 0.00 34.50 32.65 2k9z s PRO 69 CO 0.26 -2.59 1.09 0.21 0.04 0.00 0.00 177.00 176.01 2k9z s LYS 70 N -5.96 3.32 0.00 4.56 2.20 -1.26 -3.87 119.74 118.73 2k9z s LYS 70 Ca 0.77 -0.20 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 2k9z s LYS 70 Cb -0.02 -4.09 0.00 0.00 -1.51 0.00 0.00 37.83 32.20 2k9z s LYS 70 CO 0.54 -1.73 0.00 0.41 -0.36 0.00 0.00 175.35 174.21 2k9z n GLY 71 N 5.19 0.82 3.30 5.54 0.00 0.68 -4.87 105.19 115.85 2k9z n GLY 71 Ca 0.03 -0.80 -0.26 0.00 0.00 0.00 0.00 46.02 44.99 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 2.24 0.01 0.99 2.96 -0.36 -5.00 118.68 119.53 2k9z s LEU 72 Ca 0.00 -0.63 0.07 0.00 -0.22 0.00 0.00 54.13 53.35 2k9z s LEU 72 Cb 0.00 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 2k9z s LEU 72 CO 0.00 0.13 -0.23 0.00 -1.32 0.00 0.00 176.35 174.94 2k9z s ARG 73 N -1.62 2.08 0.05 1.98 3.03 -1.26 -0.86 118.95 122.35 2k9z s ARG 73 Ca 0.08 -0.95 -0.28 0.00 2.03 0.00 0.00 55.73 56.61 2k9z s ARG 73 Cb -0.10 -2.11 0.09 0.00 -1.03 0.00 0.00 34.95 31.80 2k9z s ARG 73 CO 0.03 0.55 0.93 0.00 -1.13 0.00 0.00 175.30 175.69 2k9z s ARG 75 N -3.14 4.35 -0.12 0.00 3.00 -0.57 -0.75 118.95 121.72 2k9z s ARG 75 Ca 0.08 1.44 -0.04 0.00 0.00 0.00 0.00 55.73 57.20 2k9z s ARG 75 Cb -0.01 -2.65 -0.04 0.00 0.00 0.00 0.00 34.95 32.26 2k9z s ARG 75 CO -0.05 0.04 0.05 -1.58 0.00 0.00 0.00 175.30 173.76 2k9z s TRP 76 N -1.65 3.28 -0.37 -0.53 0.52 -0.45 -1.62 118.94 118.12 2k9z s TRP 76 Ca 0.55 0.21 -0.02 0.00 0.02 0.00 0.00 56.10 56.86 2k9z s TRP 76 Cb -0.20 -1.90 0.09 0.00 -1.15 0.00 0.00 33.47 30.30 2k9z s TRP 76 CO 0.26 0.43 0.13 0.21 0.02 0.00 0.00 176.95 177.99 2k9z s LYS 77 N -0.54 2.15 -0.53 4.98 2.20 0.04 -2.43 119.74 125.60 2k9z s LYS 77 Ca 0.10 -1.61 -0.28 0.00 -0.36 0.00 0.00 55.97 53.82 2k9z s LYS 77 Cb -0.12 -3.43 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2k9z s LYS 77 CO 0.02 -0.90 1.36 0.08 -0.36 0.00 0.00 175.35 175.55 2k9z s VAL 78 N 1.18 3.87 -0.55 4.02 1.01 -1.26 -0.89 120.40 127.78 2k9z s VAL 78 Ca 0.04 0.79 0.24 0.00 0.00 0.00 0.00 61.98 63.04 2k9z s VAL 78 Cb -0.21 -4.45 0.04 0.00 0.00 0.00 0.00 36.38 31.75 2k9z s VAL 78 CO -0.03 -1.11 1.26 -0.07 0.00 0.00 0.00 175.10 175.14 2k9z h LEU 79 N 12.65 0.00 -7.49 3.92 3.38 -1.24 -3.38 115.31 123.15 2k9z h LEU 79 Ca -0.26 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.43 2k9z h LEU 79 Cb 1.09 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.65 2k9z h LEU 79 CO 1.16 0.09 -0.24 -1.61 0.09 0.00 0.00 178.44 177.93 2k9z s GLU 80 N -3.21 0.73 -0.14 1.13 2.02 -0.56 -4.79 118.70 113.88 2k9z s GLU 80 Ca 0.05 -0.26 -0.30 0.00 0.02 0.00 0.00 54.97 54.48 2k9z s GLU 80 Cb 0.12 0.32 -0.08 0.00 0.10 0.00 0.00 34.13 34.60 2k9z s GLU 80 CO 0.74 -0.21 2.09 -0.35 0.02 0.00 0.00 175.26 177.55 2k9z n PRO 81 N 1.06 2.17 -2.57 0.39 -0.04 -1.26 -2.67 135.00 132.08 2k9z n PRO 81 Ca -0.21 0.70 -0.26 0.00 -0.04 0.00 0.00 63.50 63.70 2k9z n PRO 81 Cb 0.57 -2.99 0.02 0.00 -0.04 0.00 0.00 33.50 31.06 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 6.39 3.91 -0.07 0.52 0.11 -0.95 -4.31 120.40 126.01 2k9z s VAL 82 Ca 0.97 -0.09 -0.01 0.00 -2.93 0.00 0.00 61.98 59.92 2k9z s VAL 82 Cb -0.48 -3.51 0.03 0.00 -1.53 0.00 0.00 36.38 30.88 2k9z s VAL 82 CO 0.42 -0.49 -0.01 -0.60 -3.33 0.00 0.00 175.10 171.08 2k9z s ARG 83 N -4.85 0.70 -0.01 1.54 3.52 -0.78 -3.65 118.95 115.43 2k9z s ARG 83 Ca 0.52 0.03 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 2k9z s ARG 83 Cb -0.10 -0.95 -0.01 0.00 -1.56 0.00 0.00 34.95 32.33 2k9z s ARG 83 CO 0.43 -0.24 -0.08 -1.59 -0.81 0.00 0.00 175.30 173.02 2k9z s LYS 84 N 1.65 0.63 -0.59 5.12 0.00 -0.36 -2.02 119.74 124.17 2k9z s LYS 84 Ca 0.00 -0.28 -0.28 0.00 0.00 0.00 0.00 55.97 55.41 2k9z s LYS 84 Cb -0.13 -0.61 0.02 0.00 0.00 0.00 0.00 37.83 37.12 2k9z s LYS 84 CO -0.04 0.17 1.36 -1.01 0.00 0.00 0.00 175.35 175.82 2k9z s HIS 85 N -0.20 2.35 0.55 1.78 3.76 -0.99 -1.38 115.29 121.16 2k9z s HIS 85 Ca 0.03 0.40 -0.07 0.00 -0.15 0.00 0.00 55.06 55.27 2k9z s HIS 85 Cb -0.03 -4.44 -0.02 0.00 1.11 0.00 0.00 32.58 29.19 2k9z s HIS 85 CO -0.00 -1.90 0.88 1.52 -0.85 0.00 0.00 174.74 174.38 2k9z s TYR 86 N 5.82 3.50 -0.13 1.40 1.13 -1.13 -1.27 117.35 126.67 2k9z s TYR 86 Ca 0.48 0.89 -0.12 0.00 -1.41 0.00 0.00 57.07 56.91 2k9z s TYR 86 Cb -0.10 -2.53 0.03 0.00 -1.10 0.00 0.00 41.96 38.27 2k9z s TYR 86 CO 0.24 -0.53 0.35 1.21 -2.51 0.00 0.00 175.55 174.31 2k9z s ASN 87 N -4.18 -0.36 0.83 -0.18 2.47 0.17 -3.79 114.94 109.91 2k9z s ASN 87 Ca 0.51 0.70 -0.11 0.00 0.42 0.00 0.00 52.86 54.38 2k9z s ASN 87 Cb -0.11 0.71 0.09 0.00 -1.45 0.00 0.00 41.25 40.50 2k9z s ASN 87 CO 0.47 -0.12 1.09 -0.76 -3.72 0.00 0.00 177.10 174.06 2k9z s LEU 88 N 0.17 2.54 0.00 3.21 1.43 -1.26 -1.29 118.68 123.48 2k9z s LEU 88 Ca -0.00 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 2k9z s LEU 88 Cb -0.02 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.16 2k9z s LEU 88 CO 0.01 -2.25 0.00 2.22 0.23 0.00 0.00 176.35 176.56