#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb6 h TRP 3 N 0.00 0.58 0.02 2.11 2.91 -1.92 -2.05 115.95 117.60 2kb6 h TRP 3 Ca 0.00 -0.11 -0.08 0.00 1.13 0.00 0.00 58.89 59.83 2kb6 h TRP 3 Cb 0.00 -0.15 0.01 0.00 -0.51 0.00 0.00 29.16 28.51 2kb6 h TRP 3 CO 0.00 0.69 -0.33 1.25 -1.03 0.00 0.00 178.44 179.02 2kb6 h LEU 4 N 0.47 0.25 -0.95 0.65 5.85 -2.01 -3.27 115.31 116.30 2kb6 h LEU 4 Ca 0.08 -0.84 -0.01 0.00 0.84 0.00 0.00 57.88 57.95 2kb6 h LEU 4 Cb 0.61 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 2kb6 h LEU 4 CO 0.04 1.06 -0.05 0.74 -0.34 0.00 0.00 178.44 179.89 2kb6 h THR 5 N -0.53 0.12 -0.07 1.05 2.02 -1.97 -1.87 112.91 111.66 2kb6 h THR 5 Ca -0.05 -0.80 -0.03 0.00 0.77 0.00 0.00 66.41 66.30 2kb6 h THR 5 Cb 1.13 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 2kb6 h THR 5 CO 0.06 0.05 -0.09 0.15 0.37 0.00 0.00 175.52 176.06 2kb6 h PHE 6 N 0.00 0.10 -0.38 3.16 3.04 -1.42 -1.57 116.94 119.87 2kb6 h PHE 6 Ca -0.00 -0.01 -0.13 0.00 3.98 0.00 0.00 57.97 61.81 2kb6 h PHE 6 Cb 0.72 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 2kb6 h PHE 6 CO 0.00 0.20 -0.29 1.96 -2.02 0.00 0.00 178.31 178.16 2kb6 h GLN 7 N 0.10 0.86 -0.00 1.11 4.20 -1.40 0.27 115.11 120.24 2kb6 h GLN 7 Ca 0.02 -0.42 -0.04 0.00 0.06 0.00 0.00 58.65 58.27 2kb6 h GLN 7 Cb 0.23 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 2kb6 h GLN 7 CO 0.01 1.06 -0.21 -0.22 -0.67 0.00 0.00 178.83 178.81 2kb6 h LYS 8 N 0.66 0.01 0.05 1.46 3.11 -1.35 0.39 116.57 120.90 2kb6 h LYS 8 Ca 0.07 -0.00 -0.30 0.00 -2.81 0.00 0.00 60.65 57.61 2kb6 h LYS 8 Cb 0.86 -0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 32.06 2kb6 h LYS 8 CO 0.08 0.21 -1.61 -0.22 -2.81 0.00 0.00 179.45 175.09 2kb6 h LYS 9 N 0.01 0.11 0.00 1.90 1.63 -0.96 -3.43 116.57 115.82 2kb6 h LYS 9 Ca -0.00 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2kb6 h LYS 9 Cb 0.37 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.07 2kb6 h LYS 9 CO 0.03 0.84 -0.04 0.72 -3.45 0.00 0.00 179.45 177.55 2kb6 n HIS 10 N -3.26 0.00 -3.35 1.91 8.25 0.05 -5.02 115.22 113.80 2kb6 n HIS 10 Ca -0.17 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.86 2kb6 n HIS 10 Cb 1.03 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 32.06 2kb6 n HIS 10 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2kb6 s ILE 11 N -0.18 5.13 0.29 1.59 -1.09 0.14 0.34 121.20 127.42 2kb6 s ILE 11 Ca 0.00 -0.53 0.09 0.00 -2.23 0.00 0.00 60.65 57.98 2kb6 s ILE 11 Cb 0.00 -4.05 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 2kb6 s ILE 11 CO 0.00 -0.45 0.05 0.28 -1.23 0.00 0.00 174.94 173.59 2kb6 s THR 12 N 2.01 3.30 -2.12 2.92 -1.32 -0.98 -4.54 115.64 114.91 2kb6 s THR 12 Ca 0.10 -1.82 0.25 0.00 -1.21 0.00 0.00 61.69 59.00 2kb6 s THR 12 Cb -0.19 -2.91 0.20 0.00 -1.51 0.00 0.00 72.50 68.09 2kb6 s THR 12 CO 0.12 -0.30 1.38 -0.46 -2.21 0.00 0.00 174.62 173.14 2kb6 n ASN 13 N -0.99 1.72 -3.96 8.08 0.23 -1.26 -4.05 115.26 115.02 2kb6 n ASN 13 Ca -0.05 -1.35 -0.22 0.00 -0.53 0.00 0.00 54.58 52.43 2kb6 n ASN 13 Cb 0.60 0.23 -0.16 0.00 -2.08 0.00 0.00 39.78 38.36 2kb6 n ASN 13 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2kb6 s THR 14 N -2.36 0.81 0.27 5.53 -1.32 -1.26 -4.99 115.64 112.31 2kb6 s THR 14 Ca 0.25 -0.29 0.10 0.00 -1.21 0.00 0.00 61.69 60.54 2kb6 s THR 14 Cb 0.19 -0.77 -0.04 0.00 -1.51 0.00 0.00 72.50 70.37 2kb6 s THR 14 CO 0.49 0.28 1.60 0.08 -2.21 0.00 0.00 174.62 174.85 2kb6 h ARG 15 N 7.03 0.00 -3.08 7.08 0.11 -1.94 -3.35 114.38 120.24 2kb6 h ARG 15 Ca -0.35 -0.00 -0.79 0.00 0.10 0.00 0.00 59.98 58.94 2kb6 h ARG 15 Cb 1.17 0.00 -0.29 0.00 1.11 0.00 0.00 29.97 31.96 2kb6 h ARG 15 CO 0.48 0.64 0.60 -3.47 0.10 0.00 0.00 179.97 178.31 2kb6 n ASP 16 N -3.78 5.98 -4.73 0.08 2.03 -1.26 -4.89 116.55 109.97 2kb6 n ASP 16 Ca -0.01 -3.30 -0.40 0.00 0.52 0.00 0.00 54.79 51.59 2kb6 n ASP 16 Cb 0.63 -1.27 -0.04 0.00 -0.72 0.00 0.00 41.12 39.72 2kb6 n ASP 16 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kb6 s VAL 17 N -2.31 4.84 -1.52 5.18 0.11 -1.26 -4.95 120.40 120.50 2kb6 s VAL 17 Ca 0.31 1.69 -0.11 0.00 -2.93 0.00 0.00 61.98 60.94 2kb6 s VAL 17 Cb 0.01 -4.15 -0.01 0.00 -1.53 0.00 0.00 36.38 30.70 2kb6 s VAL 17 CO 0.04 0.28 2.56 0.47 -3.33 0.00 0.00 175.10 175.13 2kb6 n ASP 18 N 3.33 6.46 0.26 3.54 8.00 -1.26 -4.65 116.55 132.23 2kb6 n ASP 18 Ca -0.00 -2.75 0.08 0.00 0.71 0.00 0.00 54.79 52.83 2kb6 n ASP 18 Cb 0.51 -1.59 0.64 0.00 -0.02 0.00 0.00 41.12 40.66 2kb6 n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kb6 h ASP 20 N 0.00 0.40 0.11 0.00 3.58 -1.95 -2.05 116.42 116.51 2kb6 h ASP 20 Ca -0.00 -0.01 -0.31 0.00 0.42 0.00 0.00 57.03 57.13 2kb6 h ASP 20 Cb 0.03 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 2kb6 h ASP 20 CO 0.00 0.29 -1.65 0.78 -2.88 0.00 0.00 179.24 175.77 2kb6 h ASN 21 N 0.47 0.35 -0.38 2.28 -0.26 -1.23 -3.37 115.58 113.43 2kb6 h ASN 21 Ca 0.15 -0.84 0.09 0.00 -0.56 0.00 0.00 56.30 55.14 2kb6 h ASN 21 Cb 0.03 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 2kb6 h ASN 21 CO -0.03 1.71 0.27 -0.29 -1.06 0.00 0.00 177.43 178.02 2kb6 h ILE 22 N -0.24 0.85 0.00 2.81 2.10 -0.69 -2.80 117.51 119.54 2kb6 h ILE 22 Ca -0.37 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.54 2kb6 h ILE 22 Cb 1.82 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 38.31 2kb6 h ILE 22 CO 0.03 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.12 2kb6 h MET 23 N 0.09 0.00 0.00 2.19 -0.00 -1.54 0.17 114.93 115.83 2kb6 h MET 23 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.88 2kb6 h MET 23 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.19 2kb6 h MET 23 CO -0.02 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 177.32 2kb6 n SER 24 N -2.40 0.29 -4.73 -0.10 7.64 -1.06 -0.17 113.62 113.09 2kb6 n SER 24 Ca -0.00 0.54 -0.41 0.00 1.01 0.00 0.00 58.87 60.02 2kb6 n SER 24 Cb 0.13 -0.62 -0.05 0.00 -1.01 0.00 0.00 64.21 62.67 2kb6 n SER 24 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kb6 s THR 25 N -3.08 4.57 0.15 0.44 2.01 0.05 -4.80 115.64 114.97 2kb6 s THR 25 Ca 0.10 1.92 0.27 0.00 0.31 0.00 0.00 61.69 64.29 2kb6 s THR 25 Cb 0.13 -4.25 0.27 0.00 0.01 0.00 0.00 72.50 68.66 2kb6 s THR 25 CO 0.45 0.34 1.82 -1.13 -0.69 0.00 0.00 174.62 175.41 2kb6 h ASN 26 N 5.56 0.00 -0.32 3.53 -0.73 -1.87 0.60 115.58 122.35 2kb6 h ASN 26 Ca -0.43 0.00 0.06 0.00 1.87 0.00 0.00 56.30 57.80 2kb6 h ASN 26 Cb 1.21 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.74 2kb6 h ASN 26 CO 0.71 0.00 -0.08 0.25 -0.37 0.00 0.00 177.43 177.94 2kb6 h LEU 27 N 0.00 -0.30 0.00 0.34 6.46 -1.90 -3.11 115.31 116.80 2kb6 h LEU 27 Ca 0.00 0.10 -0.33 0.00 -0.12 0.00 0.00 57.88 57.53 2kb6 h LEU 27 Cb 0.16 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 40.23 2kb6 h LEU 27 CO 0.00 -0.11 -2.07 0.49 -0.62 0.00 0.00 178.44 176.13 2kb6 n PHE 28 N -5.26 0.45 -4.10 1.25 3.01 0.31 -5.01 117.46 108.10 2kb6 n PHE 28 Ca 0.00 0.16 -0.42 0.00 1.01 0.00 0.00 57.45 58.21 2kb6 n PHE 28 Cb 0.18 -1.07 -0.01 0.00 -0.01 0.00 0.00 39.48 38.57 2kb6 n PHE 28 CO 0.00 0.00 0.00 -2.39 1.01 0.00 0.00 176.76 175.38 2kb6 n HIS 29 N -2.87 -1.40 -3.58 1.38 1.44 0.18 -2.02 115.22 108.34 2kb6 n HIS 29 Ca -0.25 0.24 -0.26 0.00 -2.01 0.00 0.00 57.72 55.44 2kb6 n HIS 29 Cb 1.10 -2.87 0.04 0.00 0.12 0.00 0.00 29.99 28.38 2kb6 n HIS 29 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2kb6 s LYS 31 N -5.42 2.46 -0.10 0.00 0.00 -0.86 -5.01 119.74 110.82 2kb6 s LYS 31 Ca 0.38 0.29 -0.14 0.00 0.00 0.00 0.00 55.97 56.50 2kb6 s LYS 31 Cb -0.13 -2.00 -0.28 0.00 0.00 0.00 0.00 37.83 35.43 2kb6 s LYS 31 CO 0.84 -1.28 0.55 0.38 0.00 0.00 0.00 175.35 175.85 2kb6 h ASP 32 N -0.82 0.43 -3.76 0.03 2.03 -1.90 -3.45 116.42 108.98 2kb6 h ASP 32 Ca -0.45 -0.87 -0.10 0.00 -0.73 0.00 0.00 57.03 54.87 2kb6 h ASP 32 Cb 1.29 -0.14 -0.24 0.00 -0.83 0.00 0.00 39.33 39.41 2kb6 h ASP 32 CO 0.65 1.68 -0.16 -1.59 -1.03 0.00 0.00 179.24 178.78 2kb6 s LYS 33 N -2.50 0.55 -0.14 4.15 0.00 -1.24 -0.21 119.74 120.36 2kb6 s LYS 33 Ca -0.19 0.72 -0.07 0.00 0.00 0.00 0.00 55.97 56.42 2kb6 s LYS 33 Cb 0.05 0.22 0.05 0.00 0.00 0.00 0.00 37.83 38.15 2kb6 s LYS 33 CO 0.78 -0.09 0.32 1.21 0.00 0.00 0.00 175.35 177.58 2kb6 s ASN 34 N 0.50 -0.38 0.24 0.03 2.47 -1.15 -4.96 114.94 111.69 2kb6 s ASN 34 Ca -0.02 0.70 -0.13 0.00 0.42 0.00 0.00 52.86 53.83 2kb6 s ASN 34 Cb -0.04 0.58 -0.08 0.00 -1.45 0.00 0.00 41.25 40.26 2kb6 s ASN 34 CO -0.02 -0.18 0.62 -0.89 -3.72 0.00 0.00 177.10 172.91 2kb6 s THR 35 N 1.30 4.81 0.32 -5.21 2.01 -1.26 -2.17 115.64 115.44 2kb6 s THR 35 Ca -0.09 0.75 0.09 0.00 0.31 0.00 0.00 61.69 62.75 2kb6 s THR 35 Cb -0.09 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2kb6 s THR 35 CO -0.10 -0.02 0.03 0.72 -0.69 0.00 0.00 174.62 174.56 2kb6 s PHE 36 N -1.77 2.61 -0.32 4.92 -0.12 -0.86 -4.93 117.98 117.52 2kb6 s PHE 36 Ca 0.47 -0.37 0.01 0.00 -0.05 0.00 0.00 56.93 56.99 2kb6 s PHE 36 Cb -0.12 -1.44 0.08 0.00 -0.63 0.00 0.00 43.02 40.91 2kb6 s PHE 36 CO 0.20 0.49 0.01 0.42 -0.05 0.00 0.00 175.22 176.28 2kb6 s ILE 37 N -2.45 2.56 -0.76 -4.49 1.01 0.15 -3.90 121.20 113.32 2kb6 s ILE 37 Ca 0.35 -1.87 -0.21 0.00 0.00 0.00 0.00 60.65 58.91 2kb6 s ILE 37 Cb -0.02 -2.65 0.09 0.00 0.01 0.00 0.00 42.46 39.88 2kb6 s ILE 37 CO 0.20 -0.33 1.04 -0.47 0.00 0.00 0.00 174.94 175.38 2kb6 s TYR 38 N 1.08 2.80 0.23 3.97 5.04 -0.96 -2.31 117.35 127.20 2kb6 s TYR 38 Ca 0.01 -0.82 -0.16 0.00 -2.44 0.00 0.00 57.07 53.66 2kb6 s TYR 38 Cb -0.20 -4.31 0.01 0.00 0.35 0.00 0.00 41.96 37.81 2kb6 s TYR 38 CO -0.05 -1.62 0.53 -1.12 -1.34 0.00 0.00 175.55 171.95 2kb6 s SER 39 N 3.74 -0.18 0.33 4.32 0.01 -1.26 -4.28 113.70 116.37 2kb6 s SER 39 Ca 0.26 -0.68 -0.26 0.00 1.31 0.00 0.00 55.95 56.58 2kb6 s SER 39 Cb -0.12 0.60 -0.10 0.00 0.21 0.00 0.00 66.02 66.61 2kb6 s SER 39 CO 0.03 -1.13 0.98 -0.60 0.41 0.00 0.00 173.24 172.93 2kb6 s ARG 40 N -3.94 4.52 0.30 12.44 3.52 -1.26 -4.83 118.95 129.70 2kb6 s ARG 40 Ca 0.15 1.42 -0.02 0.00 -0.13 0.00 0.00 55.73 57.15 2kb6 s ARG 40 Cb -0.02 -2.82 0.44 0.00 -1.56 0.00 0.00 34.95 31.00 2kb6 s ARG 40 CO 0.03 0.21 1.95 -1.00 -0.81 0.00 0.00 175.30 175.68 2kb6 h PRO 41 N 3.16 1.04 0.32 5.12 0.13 -2.00 -3.20 132.00 136.57 2kb6 h PRO 41 Ca -0.47 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 2kb6 h PRO 41 Cb 1.20 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2kb6 h PRO 41 CO 0.65 0.72 -0.15 0.93 -0.23 0.00 0.00 178.00 179.92 2kb6 h GLU 42 N 1.06 -0.41 -0.84 0.86 5.08 -1.99 -1.18 114.58 117.16 2kb6 h GLU 42 Ca 0.28 0.03 0.18 0.00 -1.00 0.00 0.00 59.36 58.85 2kb6 h GLU 42 Cb -0.06 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.22 2kb6 h GLU 42 CO -0.05 -0.22 0.56 -1.35 -1.00 0.00 0.00 179.01 176.94 2kb6 h PRO 43 N -0.50 0.40 -0.15 2.33 0.11 -1.98 -1.93 132.00 130.29 2kb6 h PRO 43 Ca -0.04 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.99 2kb6 h PRO 43 Cb 0.37 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.39 2kb6 h PRO 43 CO 0.07 0.26 -0.10 0.28 -0.21 0.00 0.00 178.00 178.31 2kb6 h VAL 44 N 0.41 1.33 -0.02 3.15 2.07 -1.35 -3.10 116.25 118.74 2kb6 h VAL 44 Ca 0.43 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 2kb6 h VAL 44 Cb 1.03 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2kb6 h VAL 44 CO -0.15 0.35 -0.17 0.50 0.02 0.00 0.00 177.57 178.12 2kb6 h LYS 45 N -0.03 0.03 -0.01 1.57 3.64 -0.62 -2.77 116.57 118.38 2kb6 h LYS 45 Ca 0.03 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2kb6 h LYS 45 Cb 0.59 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2kb6 h LYS 45 CO 0.03 0.20 0.01 0.00 -2.27 0.00 0.00 179.45 177.42 2kb6 h ALA 46 N 1.80 1.56 -0.03 5.00 0.00 -1.29 0.21 119.26 126.51 2kb6 h ALA 46 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2kb6 h ALA 46 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2kb6 h ALA 46 CO 0.02 -0.02 -0.12 0.82 0.00 0.00 0.00 179.25 179.96 2kb6 h ILE 47 N 0.00 1.11 -0.40 0.00 2.04 -1.60 -2.81 117.51 115.85 2kb6 h ILE 47 Ca 0.00 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.37 2kb6 h ILE 47 Cb 0.03 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 2kb6 h ILE 47 CO -0.00 0.14 0.00 0.00 0.00 0.00 0.00 178.15 178.29 2kb6 s LYS 49 N -1.48 4.15 0.00 0.00 2.20 -1.06 -1.15 119.74 122.39 2kb6 s LYS 49 Ca 0.27 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 58.15 2kb6 s LYS 49 Cb 0.14 -4.04 0.00 0.00 -1.51 0.00 0.00 37.83 32.43 2kb6 s LYS 49 CO 0.18 -0.90 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 2kb6 n GLY 50 N 4.26 1.65 3.53 5.54 0.00 -1.26 -5.03 105.19 113.88 2kb6 n GLY 50 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 2kb6 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kb6 s ILE 51 N -2.47 4.48 -0.24 -0.61 -1.09 -0.30 -4.87 121.20 116.10 2kb6 s ILE 51 Ca 0.00 0.39 -0.16 0.00 -2.23 0.00 0.00 60.65 58.66 2kb6 s ILE 51 Cb 0.00 -4.46 -0.11 0.00 -1.58 0.00 0.00 42.46 36.31 2kb6 s ILE 51 CO 0.00 -0.96 -0.27 0.00 -1.23 0.00 0.00 174.94 172.48 2kb6 n ILE 52 N 6.22 1.52 -1.70 2.92 0.13 -1.26 0.14 119.36 127.32 2kb6 n ILE 52 Ca 0.03 -0.18 -0.31 0.00 -1.10 0.00 0.00 62.75 61.18 2kb6 n ILE 52 Cb 0.48 -2.04 0.04 0.00 -0.84 0.00 0.00 39.64 37.28 2kb6 n ILE 52 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2kb6 s ALA 53 N -2.60 2.73 -0.55 1.51 0.00 -1.26 -0.13 121.76 121.46 2kb6 s ALA 53 Ca -0.34 0.14 -0.27 0.00 0.00 0.00 0.00 51.96 51.48 2kb6 s ALA 53 Cb 0.11 -3.18 -0.00 0.00 0.00 0.00 0.00 23.12 20.05 2kb6 s ALA 53 CO 0.47 -1.08 1.61 -1.12 0.00 0.00 0.00 175.76 175.64 2kb6 s SER 54 N -3.60 5.82 -0.08 0.00 0.01 -1.25 -4.35 113.70 110.26 2kb6 s SER 54 Ca 0.59 0.41 -0.17 0.00 1.31 0.00 0.00 55.95 58.09 2kb6 s SER 54 Cb -0.14 -2.54 0.04 0.00 0.21 0.00 0.00 66.02 63.59 2kb6 s SER 54 CO 0.51 -1.93 0.41 -1.59 0.41 0.00 0.00 173.24 171.05 2kb6 s LYS 55 N 6.03 0.67 0.39 12.44 0.00 -0.73 -4.95 119.74 133.59 2kb6 s LYS 55 Ca 0.60 0.17 -0.25 0.00 0.00 0.00 0.00 55.97 56.50 2kb6 s LYS 55 Cb -0.13 0.31 -0.09 0.00 0.00 0.00 0.00 37.83 37.92 2kb6 s LYS 55 CO 0.24 -0.16 1.07 0.54 0.00 0.00 0.00 175.35 177.04 2kb6 s ASN 56 N -0.73 6.79 0.03 0.03 4.22 -1.26 -1.53 114.94 122.48 2kb6 s ASN 56 Ca -0.08 2.10 0.03 0.00 -2.14 0.00 0.00 52.86 52.77 2kb6 s ASN 56 Cb -0.04 -2.59 -0.02 0.00 1.28 0.00 0.00 41.25 39.88 2kb6 s ASN 56 CO 0.04 -0.47 -0.10 -0.69 -2.04 0.00 0.00 177.10 173.83 2kb6 s VAL 57 N -1.57 0.79 -0.12 3.54 1.01 0.98 -4.91 120.40 120.12 2kb6 s VAL 57 Ca 0.56 -0.82 -0.19 0.00 0.00 0.00 0.00 61.98 61.54 2kb6 s VAL 57 Cb -0.24 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 2kb6 s VAL 57 CO 0.30 -0.06 0.49 -0.76 0.00 0.00 0.00 175.10 175.08 2kb6 s LEU 58 N -0.98 4.27 0.33 3.92 1.43 -1.26 -1.40 118.68 124.99 2kb6 s LEU 58 Ca -0.01 0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 53.64 2kb6 s LEU 58 Cb -0.07 -2.72 -0.12 0.00 0.03 0.00 0.00 46.19 43.31 2kb6 s LEU 58 CO 0.01 -0.01 1.34 0.41 0.23 0.00 0.00 176.35 178.32 2kb6 n THR 59 N 3.72 1.79 0.41 5.49 -1.04 0.84 -4.91 114.28 120.57 2kb6 n THR 59 Ca -0.07 -0.45 0.12 0.00 -2.04 0.00 0.00 64.05 61.62 2kb6 n THR 59 Cb 0.52 -1.61 0.19 0.00 -1.82 0.00 0.00 70.33 67.60 2kb6 n THR 59 CO 0.00 0.00 0.00 0.74 -0.64 0.00 0.00 175.07 175.17 2kb6 h THR 60 N 2.70 0.00 -2.04 12.58 2.02 -1.96 -3.43 112.91 122.78 2kb6 h THR 60 Ca -0.46 -0.71 -0.58 0.00 0.77 0.00 0.00 66.41 65.43 2kb6 h THR 60 Cb 1.28 1.47 -0.11 0.00 -1.74 0.00 0.00 68.15 69.04 2kb6 h THR 60 CO 0.66 0.00 -0.65 -0.55 0.37 0.00 0.00 175.52 175.34 2kb6 s SER 61 N -4.98 4.13 -0.14 4.18 0.15 -1.26 -5.05 113.70 110.72 2kb6 s SER 61 Ca 0.06 -0.93 -0.14 0.00 0.70 0.00 0.00 55.95 55.64 2kb6 s SER 61 Cb 0.10 -0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 63.82 2kb6 s SER 61 CO 0.69 -0.13 0.32 -1.61 1.20 0.00 0.00 173.24 173.71 2kb6 s GLU 62 N -3.66 4.22 0.25 5.44 2.02 -1.26 -3.82 118.70 121.88 2kb6 s GLU 62 Ca 0.33 0.15 0.11 0.00 0.02 0.00 0.00 54.97 55.58 2kb6 s GLU 62 Cb -0.02 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.75 2kb6 s GLU 62 CO 0.19 0.27 -0.20 -0.06 0.02 0.00 0.00 175.26 175.47 2kb6 s PHE 63 N 0.34 2.22 -0.61 1.61 0.40 0.62 -4.77 117.98 117.80 2kb6 s PHE 63 Ca 0.18 -0.36 -0.28 0.00 -0.60 0.00 0.00 56.93 55.87 2kb6 s PHE 63 Cb -0.13 -1.01 0.03 0.00 0.51 0.00 0.00 43.02 42.42 2kb6 s PHE 63 CO 0.05 0.61 1.23 0.71 0.70 0.00 0.00 175.22 178.52 2kb6 s TYR 64 N -2.31 2.52 -0.03 0.36 2.02 -1.26 -1.69 117.35 116.96 2kb6 s TYR 64 Ca 0.26 0.34 0.03 0.00 -0.37 0.00 0.00 57.07 57.33 2kb6 s TYR 64 Cb -0.05 -4.53 0.00 0.00 -0.40 0.00 0.00 41.96 36.98 2kb6 s TYR 64 CO 0.13 -1.71 -0.11 -0.51 -1.57 0.00 0.00 175.55 171.78 2kb6 s LEU 65 N 5.19 1.79 0.03 -1.29 1.43 0.38 -2.25 118.68 123.95 2kb6 s LEU 65 Ca 0.43 -0.23 0.06 0.00 -1.03 0.00 0.00 54.13 53.36 2kb6 s LEU 65 Cb -0.08 -0.65 -0.02 0.00 0.03 0.00 0.00 46.19 45.47 2kb6 s LEU 65 CO 0.24 0.08 -0.19 -0.55 0.23 0.00 0.00 176.35 176.16 2kb6 s SER 66 N 0.22 2.22 -0.21 2.29 0.15 -1.25 -0.14 113.70 116.97 2kb6 s SER 66 Ca -0.04 -0.47 -0.04 0.00 0.70 0.00 0.00 55.95 56.10 2kb6 s SER 66 Cb -0.10 -0.19 -0.02 0.00 -1.71 0.00 0.00 66.02 64.01 2kb6 s SER 66 CO 0.01 0.14 -0.03 -1.81 1.20 0.00 0.00 173.24 172.76 2kb6 s ASP 67 N -1.01 4.53 -0.59 5.45 1.11 -0.07 -2.02 116.67 124.06 2kb6 s ASP 67 Ca 0.06 -0.30 -0.21 0.00 0.18 0.00 0.00 52.55 52.28 2kb6 s ASP 67 Cb -0.08 -1.77 0.07 0.00 1.07 0.00 0.00 42.92 42.20 2kb6 s ASP 67 CO 0.01 0.03 0.84 0.00 1.18 0.00 0.00 175.17 177.23 2kb6 s ASN 69 N 3.28 5.78 0.13 0.00 0.01 -1.01 -2.91 114.94 120.23 2kb6 s ASN 69 Ca 0.20 -0.01 -0.31 0.00 -0.71 0.00 0.00 52.86 52.03 2kb6 s ASN 69 Cb -0.18 -2.05 -0.08 0.00 0.41 0.00 0.00 41.25 39.35 2kb6 s ASN 69 CO 0.12 0.02 1.37 0.54 -1.51 0.00 0.00 177.10 177.63 2kb6 s VAL 70 N 1.35 3.30 0.03 1.60 0.11 0.71 -1.20 120.40 126.29 2kb6 s VAL 70 Ca 0.06 0.95 -0.00 0.00 -2.93 0.00 0.00 61.98 60.06 2kb6 s VAL 70 Cb -0.15 -3.61 0.01 0.00 -1.53 0.00 0.00 36.38 31.10 2kb6 s VAL 70 CO 0.06 0.09 0.03 0.35 -3.33 0.00 0.00 175.10 172.30 2kb6 n THR 71 N 3.70 0.00 0.22 5.04 -2.24 0.17 -4.92 114.28 116.26 2kb6 n THR 71 Ca 0.10 -0.02 0.06 0.00 -2.27 0.00 0.00 64.05 61.92 2kb6 n THR 71 Cb 0.42 -1.64 0.51 0.00 -2.10 0.00 0.00 70.33 67.53 2kb6 n THR 71 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2kb6 h SER 72 N -0.40 0.00 -3.57 3.42 0.02 -1.96 -3.43 113.55 107.63 2kb6 h SER 72 Ca -0.01 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 2kb6 h SER 72 Cb 0.03 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.64 2kb6 h SER 72 CO 0.01 0.21 0.77 -0.13 -1.14 0.00 0.00 176.83 176.55 2kb6 s ARG 73 N -4.46 4.22 -0.30 3.45 0.52 -1.26 -4.90 118.95 116.23 2kb6 s ARG 73 Ca -0.03 2.39 -0.28 0.00 -0.52 0.00 0.00 55.73 57.28 2kb6 s ARG 73 Cb 0.15 -3.06 -0.03 0.00 0.52 0.00 0.00 34.95 32.54 2kb6 s ARG 73 CO 0.68 -0.44 1.88 -1.25 0.02 0.00 0.00 175.30 176.19 2kb6 s PRO 74 N -0.99 3.32 -1.35 3.54 0.04 -1.26 -2.56 135.00 135.74 2kb6 s PRO 74 Ca 0.57 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.18 2kb6 s PRO 74 Cb -0.44 -4.22 0.00 0.00 0.04 0.00 0.00 34.50 29.88 2kb6 s PRO 74 CO 0.50 -1.87 0.00 0.00 0.04 0.00 0.00 177.00 175.67 2kb6 s LYS 76 N -3.51 2.55 0.45 0.00 -0.14 -1.06 -5.00 119.74 113.02 2kb6 s LYS 76 Ca 0.00 -0.67 0.03 0.00 -1.36 0.00 0.00 55.97 53.96 2kb6 s LYS 76 Cb 0.00 -2.45 -0.02 0.00 -1.68 0.00 0.00 37.83 33.68 2kb6 s LYS 76 CO 0.00 0.63 0.09 0.71 -0.76 0.00 0.00 175.35 176.02 2kb6 s TYR 77 N -0.81 1.81 0.07 3.18 1.51 -1.26 0.44 117.35 122.28 2kb6 s TYR 77 Ca 0.13 -1.20 0.09 0.00 -1.01 0.00 0.00 57.07 55.09 2kb6 s TYR 77 Cb -0.11 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.41 2kb6 s TYR 77 CO 0.02 -0.14 -0.26 0.15 -1.11 0.00 0.00 175.55 174.21 2kb6 s LYS 78 N -3.75 1.61 -0.24 -0.62 1.02 -0.34 -4.77 119.74 112.64 2kb6 s LYS 78 Ca 0.18 -1.16 -0.09 0.00 0.02 0.00 0.00 55.97 54.92 2kb6 s LYS 78 Cb 0.02 -1.87 -0.04 0.00 -0.52 0.00 0.00 37.83 35.42 2kb6 s LYS 78 CO 0.11 0.47 0.11 -0.51 -0.92 0.00 0.00 175.35 174.61 2kb6 s LEU 79 N -1.49 3.77 -0.39 3.17 1.43 -1.26 -2.40 118.68 121.52 2kb6 s LEU 79 Ca 0.12 -0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 2kb6 s LEU 79 Cb -0.10 -2.01 0.07 0.00 0.03 0.00 0.00 46.19 44.18 2kb6 s LEU 79 CO 0.03 0.02 0.19 -0.75 0.23 0.00 0.00 176.35 176.07 2kb6 s LYS 80 N 1.30 2.48 -0.25 1.70 2.20 -0.80 -4.97 119.74 121.40 2kb6 s LYS 80 Ca 0.06 -1.44 -0.12 0.00 -0.36 0.00 0.00 55.97 54.11 2kb6 s LYS 80 Cb -0.15 -3.61 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 2kb6 s LYS 80 CO 0.05 -0.87 0.25 0.15 -0.36 0.00 0.00 175.35 174.57 2kb6 s LYS 81 N 1.35 4.03 0.09 4.03 1.02 -1.26 -0.89 119.74 128.11 2kb6 s LYS 81 Ca 0.02 -0.15 0.02 0.00 0.02 0.00 0.00 55.97 55.88 2kb6 s LYS 81 Cb -0.22 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.45 2kb6 s LYS 81 CO 0.01 -0.11 -0.07 -1.12 -0.92 0.00 0.00 175.35 173.13 2kb6 s SER 82 N 1.42 1.10 -0.29 2.83 0.01 0.80 -5.00 113.70 114.58 2kb6 s SER 82 Ca 0.11 -0.89 0.01 0.00 1.31 0.00 0.00 55.95 56.49 2kb6 s SER 82 Cb -0.15 0.08 0.08 0.00 0.21 0.00 0.00 66.02 66.24 2kb6 s SER 82 CO 0.08 -0.39 0.02 -0.89 0.41 0.00 0.00 173.24 172.47 2kb6 s THR 83 N -3.05 1.53 0.30 1.44 2.01 -1.26 -0.47 115.64 116.15 2kb6 s THR 83 Ca 0.07 -1.58 -0.11 0.00 0.31 0.00 0.00 61.69 60.38 2kb6 s THR 83 Cb 0.01 -2.00 0.01 0.00 0.01 0.00 0.00 72.50 70.54 2kb6 s THR 83 CO -0.03 -0.41 0.56 0.21 -0.69 0.00 0.00 174.62 174.25 2kb6 s ASN 84 N 1.33 0.19 0.48 3.53 2.47 -0.68 -4.73 114.94 117.53 2kb6 s ASN 84 Ca 0.03 -1.10 -0.07 0.00 0.42 0.00 0.00 52.86 52.15 2kb6 s ASN 84 Cb -0.18 0.67 -0.04 0.00 -1.45 0.00 0.00 41.25 40.24 2kb6 s ASN 84 CO -0.12 -1.31 0.80 -1.59 -3.72 0.00 0.00 177.10 171.17 2kb6 s LYS 85 N -3.42 3.59 0.20 0.43 -2.85 -1.25 -0.28 119.74 116.16 2kb6 s LYS 85 Ca 0.22 0.30 0.03 0.00 -1.00 0.00 0.00 55.97 55.52 2kb6 s LYS 85 Cb -0.02 -2.35 -0.05 0.00 -2.06 0.00 0.00 37.83 33.35 2kb6 s LYS 85 CO 0.12 -0.21 -0.00 -0.59 0.10 0.00 0.00 175.35 174.78 2kb6 s PHE 86 N -2.71 1.37 -0.18 1.78 -0.12 -1.26 -4.25 117.98 112.60 2kb6 s PHE 86 Ca 0.49 -0.98 -0.05 0.00 -0.05 0.00 0.00 56.93 56.34 2kb6 s PHE 86 Cb -0.10 -0.78 -0.03 0.00 -0.63 0.00 0.00 43.02 41.48 2kb6 s PHE 86 CO 0.43 -0.14 -0.00 0.00 -0.05 0.00 0.00 175.22 175.47 2kb6 s ALA 87 N -3.55 3.08 0.02 1.99 0.00 -0.81 -0.11 121.76 122.39 2kb6 s ALA 87 Ca 0.26 -0.90 0.05 0.00 0.00 0.00 0.00 51.96 51.37 2kb6 s ALA 87 Cb 0.06 -1.73 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2kb6 s ALA 87 CO 0.06 0.01 -0.15 0.14 0.00 0.00 0.00 175.76 175.82 2kb6 s VAL 88 N 0.71 1.17 -0.35 0.00 -7.23 -0.49 -0.04 120.40 114.17 2kb6 s VAL 88 Ca 0.00 -0.89 -0.26 0.00 -1.81 0.00 0.00 61.98 59.03 2kb6 s VAL 88 Cb -0.14 -1.03 0.01 0.00 0.56 0.00 0.00 36.38 35.79 2kb6 s VAL 88 CO 0.02 0.13 0.92 -0.89 -0.31 0.00 0.00 175.10 174.97 2kb6 s THR 89 N -0.67 4.61 0.03 5.32 2.01 0.15 -0.02 115.64 127.07 2kb6 s THR 89 Ca 0.03 1.28 0.02 0.00 0.31 0.00 0.00 61.69 63.33 2kb6 s THR 89 Cb -0.07 -4.31 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 2kb6 s THR 89 CO 0.01 -0.47 0.03 0.00 -0.69 0.00 0.00 174.62 173.49 2kb6 s GLU 91 N -1.85 0.19 -1.65 0.00 2.12 0.14 -1.78 118.70 115.89 2kb6 s GLU 91 Ca 0.23 0.48 -0.00 0.00 0.36 0.00 0.00 54.97 56.04 2kb6 s GLU 91 Cb -0.12 -0.11 0.00 0.00 0.26 0.00 0.00 34.13 34.17 2kb6 s GLU 91 CO 0.14 -0.15 0.01 0.09 -0.54 0.00 0.00 175.26 174.81 2kb6 n ASN 92 N 4.10 -5.56 -3.10 -1.70 5.03 0.82 -1.91 115.26 112.93 2kb6 n ASN 92 Ca -0.24 -0.02 -0.22 0.00 0.87 0.00 0.00 54.58 54.97 2kb6 n ASN 92 Cb 0.53 -4.59 0.05 0.00 -1.02 0.00 0.00 39.78 34.75 2kb6 n ASN 92 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kb6 n GLN 93 N -2.87 -5.94 -3.88 3.52 6.02 0.36 -4.96 117.38 109.62 2kb6 n GLN 93 Ca -0.23 0.83 -0.14 0.00 -0.01 0.00 0.00 57.00 57.45 2kb6 n GLN 93 Cb 0.67 -5.65 -0.15 0.00 1.02 0.00 0.00 30.24 26.14 2kb6 n GLN 93 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kb6 s ALA 94 N -3.22 0.10 -0.11 -1.58 0.00 -0.80 -4.71 121.76 111.44 2kb6 s ALA 94 Ca 0.41 0.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 2kb6 s ALA 94 Cb -0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2kb6 s ALA 94 CO 0.50 -0.02 1.21 -2.14 0.00 0.00 0.00 175.76 175.31 2kb6 s PRO 95 N 0.37 4.30 0.00 0.00 0.02 -1.26 -0.68 135.00 137.75 2kb6 s PRO 95 Ca -0.03 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.64 2kb6 s PRO 95 Cb -0.05 -3.64 0.00 0.00 0.02 0.00 0.00 34.50 30.83 2kb6 s PRO 95 CO -0.01 -0.56 0.00 1.33 -0.33 0.00 0.00 177.00 177.43 2kb6 n VAL 96 N 4.95 0.00 -4.19 3.83 0.24 -0.47 -4.45 118.33 118.24 2kb6 n VAL 96 Ca 0.12 -0.06 -0.16 0.00 -2.04 0.00 0.00 64.34 62.21 2kb6 n VAL 96 Cb 0.46 0.55 -0.14 0.00 -1.47 0.00 0.00 33.84 33.24 2kb6 n VAL 96 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 2kb6 s HIS 97 N -1.84 0.63 -0.17 6.34 5.65 -1.13 -4.75 115.29 120.01 2kb6 s HIS 97 Ca 0.00 -0.21 -0.07 0.00 0.25 0.00 0.00 55.06 55.03 2kb6 s HIS 97 Cb 0.00 -0.39 -0.04 0.00 -1.18 0.00 0.00 32.58 30.97 2kb6 s HIS 97 CO 0.00 -0.02 0.06 0.12 -0.65 0.00 0.00 174.74 174.25 2kb6 s PHE 98 N -0.48 3.26 -0.23 3.88 5.36 -1.26 0.31 117.98 128.81 2kb6 s PHE 98 Ca -0.01 0.10 -0.06 0.00 -0.96 0.00 0.00 56.93 56.00 2kb6 s PHE 98 Cb -0.05 -2.05 -0.18 0.00 -0.34 0.00 0.00 43.02 40.40 2kb6 s PHE 98 CO 0.00 0.20 -0.08 0.28 -1.46 0.00 0.00 175.22 174.17 2kb6 n VAL 99 N 3.35 1.57 0.00 3.12 0.31 0.94 -4.90 118.33 122.72 2kb6 n VAL 99 Ca -0.17 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 2kb6 n VAL 99 Cb 0.52 -1.65 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 2kb6 n VAL 99 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kb6 n GLY 100 N 1.91 4.30 3.71 2.92 0.00 -1.15 -4.99 105.19 111.89 2kb6 n GLY 100 Ca -0.43 -1.41 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 2kb6 n GLY 100 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kb6 s VAL 101 N -2.00 4.92 0.00 1.61 -7.23 -1.26 -1.91 120.40 114.53 2kb6 s VAL 101 Ca 0.00 1.84 0.00 0.00 -1.81 0.00 0.00 61.98 62.01 2kb6 s VAL 101 Cb 0.00 -4.22 0.00 0.00 0.56 0.00 0.00 36.38 32.72 2kb6 s VAL 101 CO 0.00 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.57 2kb6 n GLY 102 N 3.00 0.89 2.04 2.32 0.00 -1.26 -5.02 105.19 107.16 2kb6 n GLY 102 Ca 0.04 0.57 -0.00 0.00 0.00 0.00 0.00 46.02 46.62 2kb6 n GLY 102 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kb6 n SER 103 N 0.00 -0.80 -0.75 1.61 3.41 -1.26 -4.89 113.62 110.93 2kb6 n SER 103 Ca 0.00 -1.34 0.09 0.00 -0.26 0.00 0.00 58.87 57.36 2kb6 n SER 103 Cb 0.00 1.28 0.08 0.00 -0.26 0.00 0.00 64.21 65.31 2kb6 n SER 103 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88