#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 0.92 -0.22 -0.67 2.91 -1.93 0.42 115.95 117.38 2kb6 h TRP 3 Ca 0.00 0.03 -0.20 0.00 1.13 0.00 0.00 58.89 59.85 2kb6 h TRP 3 Cb 0.00 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.37 2kb6 h TRP 3 CO 0.00 0.30 -0.66 1.25 -1.03 0.00 0.00 178.44 178.30 2kb6 h LEU 4 N 0.74 0.93 0.00 0.65 5.85 -2.02 -3.25 115.31 118.21 2kb6 h LEU 4 Ca 0.50 -0.55 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 2kb6 h LEU 4 Cb 0.78 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 2kb6 h LEU 4 CO -0.26 1.34 -0.81 0.74 -0.34 0.00 0.00 178.44 179.11 2kb6 h THR 5 N 0.59 0.24 0.00 1.05 2.02 -1.76 -3.20 112.91 111.85 2kb6 h THR 5 Ca -0.02 -1.40 -0.03 0.00 0.77 0.00 0.00 66.41 65.73 2kb6 h THR 5 Cb 1.27 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 69.54 2kb6 h THR 5 CO 0.14 0.14 -0.13 0.15 0.37 0.00 0.00 175.52 176.19 2kb6 h PHE 6 N 0.00 0.00 -0.08 3.16 3.04 -0.22 -0.37 116.94 122.47 2kb6 h PHE 6 Ca -0.04 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.82 2kb6 h PHE 6 Cb 1.19 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.69 2kb6 h PHE 6 CO 0.00 0.13 -0.38 1.96 -2.02 0.00 0.00 178.31 177.99 2kb6 h GLN 7 N 0.00 0.17 0.00 1.11 4.20 -1.60 0.44 115.11 119.43 2kb6 h GLN 7 Ca -0.00 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.45 2kb6 h GLN 7 Cb 0.31 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2kb6 h GLN 7 CO 0.02 0.53 -0.85 -0.22 -0.67 0.00 0.00 178.83 177.63 2kb6 h LYS 8 N 0.14 0.10 0.12 1.46 3.11 -1.25 -2.56 116.57 117.69 2kb6 h LYS 8 Ca 0.01 -0.11 -0.34 0.00 -2.81 0.00 0.00 60.65 57.40 2kb6 h LYS 8 Cb 0.75 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.00 2kb6 h LYS 8 CO 0.06 0.89 -1.81 -0.22 -2.81 0.00 0.00 179.45 175.56 2kb6 h LYS 9 N 0.05 0.25 0.00 1.90 3.64 -0.74 -3.42 116.57 118.25 2kb6 h LYS 9 Ca -0.03 -0.43 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2kb6 h LYS 9 Cb 1.49 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 33.47 2kb6 h LYS 9 CO 0.12 1.11 0.00 1.58 -2.27 0.00 0.00 179.45 179.99 2kb6 n HIS 10 N -3.43 0.00 -3.88 1.91 -0.00 0.15 -5.02 115.22 104.94 2kb6 n HIS 10 Ca -0.25 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.57 2kb6 n HIS 10 Cb 1.05 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 30.85 2kb6 n HIS 10 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 2kb6 s ILE 11 N -0.25 5.27 -0.03 3.57 -1.09 -0.96 -1.48 121.20 126.22 2kb6 s ILE 11 Ca 0.00 0.13 0.06 0.00 -2.23 0.00 0.00 60.65 58.61 2kb6 s ILE 11 Cb 0.00 -3.34 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 2kb6 s ILE 11 CO 0.00 0.53 -0.22 0.28 -1.23 0.00 0.00 174.94 174.30 2kb6 s THR 12 N -0.32 2.37 -2.05 2.92 -1.32 -0.42 -4.55 115.64 112.27 2kb6 s THR 12 Ca 0.11 -0.98 0.26 0.00 -1.21 0.00 0.00 61.69 59.86 2kb6 s THR 12 Cb -0.12 -1.86 0.30 0.00 -1.51 0.00 0.00 72.50 69.31 2kb6 s THR 12 CO 0.01 0.58 1.53 -0.46 -2.21 0.00 0.00 174.62 174.07 2kb6 n ASN 13 N 2.46 1.39 -3.97 8.08 2.04 -1.26 -3.98 115.26 120.02 2kb6 n ASN 13 Ca -0.17 -1.19 -0.19 0.00 -0.44 0.00 0.00 54.58 52.59 2kb6 n ASN 13 Cb 0.51 0.14 -0.15 0.00 -2.53 0.00 0.00 39.78 37.75 2kb6 n ASN 13 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 2kb6 s THR 14 N -2.35 0.67 0.26 5.53 -1.32 -1.26 -5.02 115.64 112.15 2kb6 s THR 14 Ca 0.27 -0.29 0.10 0.00 -1.21 0.00 0.00 61.69 60.57 2kb6 s THR 14 Cb 0.20 -0.61 -0.04 0.00 -1.51 0.00 0.00 72.50 70.54 2kb6 s THR 14 CO 0.47 0.22 1.59 0.08 -2.21 0.00 0.00 174.62 174.77 2kb6 h ARG 15 N 6.49 0.00 -2.37 7.08 0.11 -1.96 -3.29 114.38 120.44 2kb6 h ARG 15 Ca -0.33 -0.00 -0.69 0.00 0.10 0.00 0.00 59.98 59.05 2kb6 h ARG 15 Cb 1.17 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.09 2kb6 h ARG 15 CO 0.49 0.64 1.63 -0.25 0.10 0.00 0.00 179.97 182.58 2kb6 n ASP 16 N -3.78 7.52 -4.61 0.08 8.00 -1.26 -4.94 116.55 117.56 2kb6 n ASP 16 Ca -0.01 -3.27 -0.42 0.00 0.71 0.00 0.00 54.79 51.80 2kb6 n ASP 16 Cb 0.63 -1.29 -0.04 0.00 -0.02 0.00 0.00 41.12 40.41 2kb6 n ASP 16 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kb6 s VAL 17 N -2.06 4.61 -1.11 2.53 0.11 -1.24 -4.96 120.40 118.28 2kb6 s VAL 17 Ca 0.53 1.24 -0.22 0.00 -2.93 0.00 0.00 61.98 60.60 2kb6 s VAL 17 Cb 0.25 -4.31 -0.03 0.00 -1.53 0.00 0.00 36.38 30.76 2kb6 s VAL 17 CO -0.15 -0.48 1.85 -0.62 -3.33 0.00 0.00 175.10 172.36 2kb6 s ASP 18 N 1.81 5.55 0.39 3.54 -1.08 -1.26 -4.75 116.67 120.87 2kb6 s ASP 18 Ca 0.38 -1.50 0.13 0.00 -0.52 0.00 0.00 52.55 51.03 2kb6 s ASP 18 Cb -0.12 -2.58 0.77 0.00 -1.46 0.00 0.00 42.92 39.53 2kb6 s ASP 18 CO 0.17 -2.47 1.86 0.00 0.52 0.00 0.00 175.17 175.25 2kb6 h ASP 20 N 0.02 0.91 0.99 0.00 3.58 -1.85 -1.93 116.42 118.14 2kb6 h ASP 20 Ca -0.00 -0.16 -0.06 0.00 0.42 0.00 0.00 57.03 57.23 2kb6 h ASP 20 Cb 0.58 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.39 2kb6 h ASP 20 CO 0.04 0.82 -1.04 0.78 -2.88 0.00 0.00 179.24 176.96 2kb6 h ASN 21 N 0.94 0.00 0.51 2.28 2.35 -1.93 -3.35 115.58 116.37 2kb6 h ASN 21 Ca 0.22 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.84 2kb6 h ASN 21 Cb 0.19 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 2kb6 h ASN 21 CO -0.02 0.21 -0.62 -0.29 -1.65 0.00 0.00 177.43 175.06 2kb6 h ILE 22 N 0.00 1.42 0.00 2.81 2.10 -0.92 -3.14 117.51 119.78 2kb6 h ILE 22 Ca -0.05 -2.07 0.00 0.00 1.08 0.00 0.00 64.86 63.82 2kb6 h ILE 22 Cb 1.21 2.09 0.00 0.00 -1.09 0.00 0.00 36.82 39.02 2kb6 h ILE 22 CO 0.02 0.60 0.00 0.00 -1.08 0.00 0.00 178.15 177.69 2kb6 h MET 23 N 0.08 0.00 0.00 2.19 -0.00 -1.50 0.12 114.93 115.82 2kb6 h MET 23 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 2kb6 h MET 23 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.71 2kb6 h MET 23 CO 0.09 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 177.43 2kb6 n SER 24 N -2.39 0.00 -4.72 -0.10 7.64 -1.19 -1.44 113.62 111.43 2kb6 n SER 24 Ca 0.00 0.27 -0.40 0.00 1.01 0.00 0.00 58.87 59.75 2kb6 n SER 24 Cb 0.15 -0.39 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.79 4.97 -0.68 0.44 2.01 0.42 -4.90 115.64 115.11 2kb6 s THR 25 Ca 0.13 1.59 0.07 0.00 0.31 0.00 0.00 61.69 63.78 2kb6 s THR 25 Cb 0.12 -4.10 0.07 0.00 0.01 0.00 0.00 72.50 68.59 2kb6 s THR 25 CO 0.29 0.25 1.18 -3.20 -0.69 0.00 0.00 174.62 172.45 2kb6 n ASN 26 N 3.68 0.17 0.01 3.53 4.05 -1.26 -0.71 115.26 124.73 2kb6 n ASN 26 Ca 0.00 0.56 -0.10 0.00 0.45 0.00 0.00 54.58 55.49 2kb6 n ASN 26 Cb 0.51 -0.57 -0.04 0.00 1.23 0.00 0.00 39.78 40.91 2kb6 n ASN 26 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 2kb6 h LEU 27 N 0.00 -0.28 0.00 1.20 6.46 -1.89 -3.16 115.31 117.64 2kb6 h LEU 27 Ca 0.00 0.06 -0.28 0.00 -0.12 0.00 0.00 57.88 57.54 2kb6 h LEU 27 Cb 0.07 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.09 2kb6 h LEU 27 CO 0.00 -0.12 -1.79 0.49 -0.62 0.00 0.00 178.44 176.40 2kb6 n PHE 28 N -5.23 0.79 -4.11 1.25 3.01 0.08 -4.99 117.46 108.26 2kb6 n PHE 28 Ca -0.04 0.28 -0.38 0.00 1.01 0.00 0.00 57.45 58.32 2kb6 n PHE 28 Cb 0.15 -1.12 -0.02 0.00 -0.01 0.00 0.00 39.48 38.48 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 -2.95 -1.42 -3.50 1.38 1.44 0.11 -1.80 115.22 108.48 2kb6 n HIS 29 Ca -0.18 0.36 -0.23 0.00 -2.01 0.00 0.00 57.72 55.65 2kb6 n HIS 29 Cb 1.02 -2.95 0.04 0.00 0.12 0.00 0.00 29.99 28.22 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 -5.11 3.88 -0.00 0.00 0.00 -0.75 -5.00 119.74 112.75 2kb6 s LYS 31 Ca 0.37 0.61 -0.20 0.00 0.00 0.00 0.00 55.97 56.75 2kb6 s LYS 31 Cb -0.11 -2.37 -0.26 0.00 0.00 0.00 0.00 37.83 35.10 2kb6 s LYS 31 CO 0.82 -0.01 1.05 -0.44 0.00 0.00 0.00 175.35 176.78 2kb6 h ASP 32 N 1.54 0.55 -3.75 0.03 5.19 -1.91 -3.46 116.42 114.61 2kb6 h ASP 32 Ca -0.47 -0.81 -0.19 0.00 -0.62 0.00 0.00 57.03 54.94 2kb6 h ASP 32 Cb 1.18 -0.17 -0.27 0.00 0.18 0.00 0.00 39.33 40.25 2kb6 h ASP 32 CO 0.64 1.30 -0.51 -0.54 -3.12 0.00 0.00 179.24 177.01 2kb6 s LYS 33 N -3.01 0.20 -0.16 3.56 -0.14 -1.26 -0.99 119.74 117.94 2kb6 s LYS 33 Ca -0.13 0.28 -0.04 0.00 -1.36 0.00 0.00 55.97 54.71 2kb6 s LYS 33 Cb 0.03 0.07 0.08 0.00 -1.68 0.00 0.00 37.83 36.33 2kb6 s LYS 33 CO 0.84 -0.04 0.25 1.21 -0.76 0.00 0.00 175.35 176.84 2kb6 s ASN 34 N 0.23 0.76 -0.87 2.83 2.47 -1.22 -5.03 114.94 114.11 2kb6 s ASN 34 Ca -0.01 0.24 -0.15 0.00 0.42 0.00 0.00 52.86 53.36 2kb6 s ASN 34 Cb -0.02 0.58 0.19 0.00 -1.45 0.00 0.00 41.25 40.54 2kb6 s ASN 34 CO -0.01 -0.28 0.90 -0.89 -3.72 0.00 0.00 177.10 173.11 2kb6 s THR 35 N 2.38 5.34 0.25 -5.21 2.01 -1.26 -3.32 115.64 115.82 2kb6 s THR 35 Ca 0.04 -2.22 -0.14 0.00 0.31 0.00 0.00 61.69 59.68 2kb6 s THR 35 Cb -0.14 -4.58 -0.08 0.00 0.01 0.00 0.00 72.50 67.72 2kb6 s THR 35 CO -0.10 -1.19 0.65 0.72 -0.69 0.00 0.00 174.62 174.00 2kb6 s PHE 36 N 0.94 3.48 -0.34 4.92 -0.12 -1.10 -4.88 117.98 120.88 2kb6 s PHE 36 Ca 0.23 1.12 -0.17 0.00 -0.05 0.00 0.00 56.93 58.06 2kb6 s PHE 36 Cb -0.08 -2.44 -0.01 0.00 -0.63 0.00 0.00 43.02 39.86 2kb6 s PHE 36 CO -0.09 0.25 0.48 0.42 -0.05 0.00 0.00 175.22 176.23 2kb6 s ILE 37 N -1.76 5.05 -0.77 -4.49 1.01 -0.55 -2.24 121.20 117.45 2kb6 s ILE 37 Ca 0.47 0.30 -0.18 0.00 0.00 0.00 0.00 60.65 61.24 2kb6 s ILE 37 Cb -0.12 -3.93 0.13 0.00 0.01 0.00 0.00 42.46 38.55 2kb6 s ILE 37 CO 0.19 -0.17 0.90 -0.47 0.00 0.00 0.00 174.94 175.39 2kb6 s TYR 38 N 2.31 3.16 0.35 3.97 5.04 0.07 -1.30 117.35 130.96 2kb6 s TYR 38 Ca 0.17 -1.29 -0.12 0.00 -2.44 0.00 0.00 57.07 53.39 2kb6 s TYR 38 Cb -0.16 -4.11 0.03 0.00 0.35 0.00 0.00 41.96 38.08 2kb6 s TYR 38 CO 0.13 -1.34 0.67 -1.12 -1.34 0.00 0.00 175.55 172.54 2kb6 s SER 39 N 3.34 0.26 0.64 4.32 0.01 -1.26 -4.05 113.70 116.96 2kb6 s SER 39 Ca 0.22 -1.19 -0.13 0.00 1.31 0.00 0.00 55.95 56.16 2kb6 s SER 39 Cb -0.13 0.77 -0.02 0.00 0.21 0.00 0.00 66.02 66.84 2kb6 s SER 39 CO -0.02 -1.50 1.05 -0.13 0.41 0.00 0.00 173.24 173.04 2kb6 s ARG 40 N -2.79 3.24 0.08 12.44 3.00 -1.26 -4.87 118.95 128.79 2kb6 s ARG 40 Ca 0.20 1.01 -0.19 0.00 0.00 0.00 0.00 55.73 56.75 2kb6 s ARG 40 Cb -0.03 -2.03 -0.09 0.00 0.00 0.00 0.00 34.95 32.80 2kb6 s ARG 40 CO 0.14 -0.86 1.56 -1.00 0.00 0.00 0.00 175.30 175.14 2kb6 h PRO 41 N -0.13 0.36 -0.26 3.54 0.13 -2.00 -3.23 132.00 130.40 2kb6 h PRO 41 Ca -0.45 -0.09 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2kb6 h PRO 41 Cb 1.21 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2kb6 h PRO 41 CO 0.58 0.49 0.16 1.49 -0.23 0.00 0.00 178.00 180.50 2kb6 h GLU 42 N 0.17 0.36 -0.89 0.86 4.57 -1.98 -1.15 114.58 116.52 2kb6 h GLU 42 Ca 0.07 -0.03 0.15 0.00 -1.18 0.00 0.00 59.36 58.37 2kb6 h GLU 42 Cb 0.30 -0.08 -0.10 0.00 -0.16 0.00 0.00 28.75 28.72 2kb6 h GLU 42 CO 0.00 0.27 0.48 -1.35 -1.18 0.00 0.00 179.01 177.24 2kb6 h PRO 43 N 0.34 0.66 -0.13 0.92 0.11 -1.98 0.15 132.00 132.07 2kb6 h PRO 43 Ca 0.10 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 2kb6 h PRO 43 Cb 0.00 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 2kb6 h PRO 43 CO -0.02 0.44 0.03 0.28 -0.21 0.00 0.00 178.00 178.51 2kb6 h VAL 44 N 0.68 1.21 -0.07 3.15 2.07 -1.36 -2.88 116.25 119.04 2kb6 h VAL 44 Ca 0.49 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 67.34 2kb6 h VAL 44 Cb 0.68 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2kb6 h VAL 44 CO -0.36 0.19 -0.04 0.50 0.02 0.00 0.00 177.57 177.88 2kb6 h LYS 45 N -0.00 0.09 -0.03 1.57 3.64 -0.62 -2.90 116.57 118.32 2kb6 h LYS 45 Ca 0.04 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2kb6 h LYS 45 Cb 0.27 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2kb6 h LYS 45 CO 0.00 0.15 0.02 0.00 -2.27 0.00 0.00 179.45 177.35 2kb6 h ALA 46 N 1.87 1.95 0.00 5.00 0.00 -0.49 -0.15 119.26 127.44 2kb6 h ALA 46 Ca 0.02 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2kb6 h ALA 46 Cb 0.14 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2kb6 h ALA 46 CO 0.01 -0.04 -0.12 0.82 0.00 0.00 0.00 179.25 179.92 2kb6 h ILE 47 N 0.00 0.96 -0.39 0.00 2.04 -1.60 -2.55 117.51 115.98 2kb6 h ILE 47 Ca 0.01 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.44 2kb6 h ILE 47 Cb 0.06 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 37.38 2kb6 h ILE 47 CO -0.00 0.12 0.00 0.00 0.00 0.00 0.00 178.15 178.27 2kb6 s LYS 49 N -1.49 4.10 0.00 0.00 2.20 -0.96 -1.00 119.74 122.60 2kb6 s LYS 49 Ca 0.26 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2kb6 s LYS 49 Cb 0.14 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.39 2kb6 s LYS 49 CO 0.18 -0.96 0.00 0.41 -0.36 0.00 0.00 175.35 174.62 2kb6 n GLY 50 N 4.37 0.87 3.51 5.54 0.00 -1.26 -5.01 105.19 113.21 2kb6 n GLY 50 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.32 4.56 -0.24 -0.61 -1.09 -0.17 -4.86 121.20 116.47 2kb6 s ILE 51 Ca 0.00 0.12 -0.15 0.00 -2.23 0.00 0.00 60.65 58.38 2kb6 s ILE 51 Cb 0.00 -4.44 -0.10 0.00 -1.58 0.00 0.00 42.46 36.35 2kb6 s ILE 51 CO 0.00 -0.96 -0.35 0.00 -1.23 0.00 0.00 174.94 172.40 2kb6 n ILE 52 N 6.04 1.51 -1.57 2.92 0.13 -1.26 0.88 119.36 128.01 2kb6 n ILE 52 Ca -0.00 -0.17 -0.31 0.00 -1.10 0.00 0.00 62.75 61.16 2kb6 n ILE 52 Cb 0.47 -2.07 0.05 0.00 -0.84 0.00 0.00 39.64 37.26 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 -2.67 2.63 -0.64 1.51 0.00 -1.26 -0.19 121.76 121.14 2kb6 s ALA 53 Ca -0.35 0.14 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 2kb6 s ALA 53 Cb 0.10 -3.19 0.03 0.00 0.00 0.00 0.00 23.12 20.06 2kb6 s ALA 53 CO 0.46 -1.26 1.22 -1.54 0.00 0.00 0.00 175.76 174.65 2kb6 s SER 54 N -3.64 6.34 -0.02 0.00 1.04 -1.25 -4.36 113.70 111.80 2kb6 s SER 54 Ca 0.59 -0.11 -0.07 0.00 0.48 0.00 0.00 55.95 56.84 2kb6 s SER 54 Cb -0.15 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.42 2kb6 s SER 54 CO 0.53 -1.62 0.14 -1.59 0.98 0.00 0.00 173.24 171.69 2kb6 s LYS 55 N 5.25 0.38 0.19 4.02 0.00 -1.11 -4.97 119.74 123.50 2kb6 s LYS 55 Ca 0.40 -0.19 -0.30 0.00 0.00 0.00 0.00 55.97 55.88 2kb6 s LYS 55 Cb -0.08 0.16 -0.09 0.00 0.00 0.00 0.00 37.83 37.83 2kb6 s LYS 55 CO 0.21 -0.08 1.38 1.21 0.00 0.00 0.00 175.35 178.07 2kb6 s ASN 56 N -0.88 6.80 -0.01 0.03 2.47 -1.26 -2.89 114.94 119.20 2kb6 s ASN 56 Ca -0.10 2.46 0.04 0.00 0.42 0.00 0.00 52.86 55.68 2kb6 s ASN 56 Cb -0.05 -2.61 -0.01 0.00 -1.45 0.00 0.00 41.25 37.13 2kb6 s ASN 56 CO 0.01 -0.62 -0.13 -0.69 -3.72 0.00 0.00 177.10 171.95 2kb6 s VAL 57 N 0.39 1.04 -0.15 -5.21 1.01 0.64 -4.95 120.40 113.17 2kb6 s VAL 57 Ca 0.60 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.89 2kb6 s VAL 57 Cb -0.38 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 2kb6 s VAL 57 CO 0.37 0.30 0.29 -0.76 0.00 0.00 0.00 175.10 175.30 2kb6 s LEU 58 N -0.23 4.27 0.29 3.92 1.43 -1.26 -1.27 118.68 125.82 2kb6 s LEU 58 Ca 0.04 0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 53.37 2kb6 s LEU 58 Cb -0.06 -2.37 -0.13 0.00 0.03 0.00 0.00 46.19 43.66 2kb6 s LEU 58 CO -0.00 0.13 1.33 0.41 0.23 0.00 0.00 176.35 178.45 2kb6 n THR 59 N 3.38 1.49 0.16 5.49 -1.04 0.70 -4.91 114.28 119.56 2kb6 n THR 59 Ca -0.12 -0.37 0.08 0.00 -2.04 0.00 0.00 64.05 61.60 2kb6 n THR 59 Cb 0.52 -1.50 0.08 0.00 -1.82 0.00 0.00 70.33 67.61 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 2.76 0.27 -1.17 12.58 2.02 -1.97 -3.43 112.91 123.98 2kb6 h THR 60 Ca -0.45 -1.40 -0.63 0.00 0.77 0.00 0.00 66.41 64.69 2kb6 h THR 60 Cb 1.28 2.03 -0.12 0.00 -1.74 0.00 0.00 68.15 69.61 2kb6 h THR 60 CO 0.69 0.15 -0.54 -0.44 0.37 0.00 0.00 175.52 175.76 2kb6 s SER 61 N -6.10 4.10 -0.20 4.18 0.01 -1.26 -5.06 113.70 109.38 2kb6 s SER 61 Ca 0.04 -1.40 -0.08 0.00 1.31 0.00 0.00 55.95 55.82 2kb6 s SER 61 Cb 0.07 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 2kb6 s SER 61 CO 0.72 -0.64 0.07 -1.83 0.41 0.00 0.00 173.24 171.98 2kb6 s GLU 62 N -3.83 3.93 0.31 12.44 1.03 -1.26 -3.79 118.70 127.52 2kb6 s GLU 62 Ca 0.27 -0.36 0.09 0.00 0.03 0.00 0.00 54.97 54.99 2kb6 s GLU 62 Cb 0.05 -3.26 -0.04 0.00 -0.80 0.00 0.00 34.13 30.08 2kb6 s GLU 62 CO 0.14 0.17 0.10 -0.06 -1.33 0.00 0.00 175.26 174.28 2kb6 s PHE 63 N 0.65 2.73 -0.62 4.83 0.40 0.06 -4.70 117.98 121.33 2kb6 s PHE 63 Ca 0.04 -0.32 -0.28 0.00 -0.60 0.00 0.00 56.93 55.77 2kb6 s PHE 63 Cb -0.13 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 41.95 2kb6 s PHE 63 CO 0.02 0.44 1.26 0.71 0.70 0.00 0.00 175.22 178.35 2kb6 s TYR 64 N -2.38 2.45 -0.17 0.36 2.02 -1.26 -1.85 117.35 116.53 2kb6 s TYR 64 Ca 0.35 0.30 0.01 0.00 -0.37 0.00 0.00 57.07 57.37 2kb6 s TYR 64 Cb -0.04 -4.52 0.01 0.00 -0.40 0.00 0.00 41.96 37.01 2kb6 s TYR 64 CO 0.22 -1.79 -0.19 -0.51 -1.57 0.00 0.00 175.55 171.70 2kb6 s LEU 65 N 5.39 2.19 -0.20 -1.29 1.43 0.12 -0.75 118.68 125.58 2kb6 s LEU 65 Ca 0.43 -0.61 -0.10 0.00 -1.03 0.00 0.00 54.13 52.81 2kb6 s LEU 65 Cb -0.08 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.60 2kb6 s LEU 65 CO 0.22 0.02 0.14 -0.44 0.23 0.00 0.00 176.35 176.53 2kb6 s SER 66 N 1.16 6.23 -0.16 2.29 0.01 -0.95 0.22 113.70 122.50 2kb6 s SER 66 Ca 0.02 0.25 -0.04 0.00 1.31 0.00 0.00 55.95 57.48 2kb6 s SER 66 Cb -0.14 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 2kb6 s SER 66 CO -0.09 0.17 -0.02 -1.81 0.41 0.00 0.00 173.24 171.90 2kb6 s ASP 67 N 0.38 4.92 -0.37 2.44 1.01 0.25 -2.71 116.67 122.58 2kb6 s ASP 67 Ca 0.09 -0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.24 2kb6 s ASP 67 Cb -0.11 -1.81 0.10 0.00 1.01 0.00 0.00 42.92 42.11 2kb6 s ASP 67 CO -0.01 0.16 0.13 0.00 0.21 0.00 0.00 175.17 175.66 2kb6 s ASN 69 N 1.41 5.53 0.21 0.00 0.01 -1.25 -3.39 114.94 117.46 2kb6 s ASN 69 Ca 0.08 -0.32 -0.32 0.00 -0.71 0.00 0.00 52.86 51.59 2kb6 s ASN 69 Cb -0.21 -2.00 -0.14 0.00 0.41 0.00 0.00 41.25 39.30 2kb6 s ASN 69 CO -0.06 -0.12 1.37 0.55 -1.51 0.00 0.00 177.10 177.34 2kb6 n VAL 70 N 4.98 0.77 -2.32 1.60 3.14 -0.16 -4.08 118.33 122.27 2kb6 n VAL 70 Ca -0.15 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.04 2kb6 n VAL 70 Cb 0.50 -1.31 0.00 0.00 -1.06 0.00 0.00 33.84 31.98 2kb6 n VAL 70 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 2kb6 n THR 71 N 2.03 0.00 -0.05 1.55 -2.24 -0.49 -4.97 114.28 110.12 2kb6 n THR 71 Ca 0.13 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 2kb6 n THR 71 Cb 0.29 -0.94 0.46 0.00 -2.10 0.00 0.00 70.33 68.05 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 0.00 0.42 -2.74 3.42 0.02 -1.94 -3.41 113.55 109.31 2kb6 h SER 72 Ca 0.00 -0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.40 2kb6 h SER 72 Cb 0.00 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2kb6 h SER 72 CO 0.00 0.28 0.99 -0.13 -1.14 0.00 0.00 176.83 176.83 2kb6 s ARG 73 N -5.44 4.21 -0.16 3.45 0.52 -1.26 -4.92 118.95 115.35 2kb6 s ARG 73 Ca -0.08 2.02 -0.32 0.00 -0.52 0.00 0.00 55.73 56.83 2kb6 s ARG 73 Cb 0.19 -3.83 -0.10 0.00 0.52 0.00 0.00 34.95 31.73 2kb6 s ARG 73 CO 0.74 -0.75 2.04 -2.30 0.02 0.00 0.00 175.30 175.05 2kb6 n PRO 74 N 6.59 1.99 -0.78 3.54 -0.02 -1.26 -1.37 135.00 143.68 2kb6 n PRO 74 Ca 0.16 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2kb6 n PRO 74 Cb 0.43 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.11 2kb6 n PRO 74 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb6 s LYS 76 N -0.73 3.53 0.36 0.00 3.01 -0.47 -4.98 119.74 120.46 2kb6 s LYS 76 Ca 0.00 -0.31 -0.00 0.00 -1.01 0.00 0.00 55.97 54.65 2kb6 s LYS 76 Cb 0.00 -3.08 0.00 0.00 -1.01 0.00 0.00 37.83 33.75 2kb6 s LYS 76 CO 0.00 0.54 0.47 2.48 0.51 0.00 0.00 175.35 179.35 2kb6 n TYR 77 N 2.69 -1.39 -4.25 3.18 4.11 -1.26 -1.39 117.16 118.85 2kb6 n TYR 77 Ca -0.18 -2.50 -0.20 0.00 -0.00 0.00 0.00 57.90 55.01 2kb6 n TYR 77 Cb 0.53 0.53 -0.12 0.00 -0.00 0.00 0.00 39.34 40.29 2kb6 n TYR 77 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.86 175.27 2kb6 s LYS 78 N -2.91 1.04 -0.05 -3.48 -2.85 -1.26 -4.70 119.74 105.53 2kb6 s LYS 78 Ca 0.32 -1.19 -0.28 0.00 -1.00 0.00 0.00 55.97 53.83 2kb6 s LYS 78 Cb -0.01 -1.06 -0.03 0.00 -2.06 0.00 0.00 37.83 34.67 2kb6 s LYS 78 CO 0.23 0.22 0.89 -1.17 0.10 0.00 0.00 175.35 175.62 2kb6 s LEU 79 N -2.21 4.32 -0.05 2.77 0.20 -1.26 -3.85 118.68 118.60 2kb6 s LEU 79 Ca 0.07 1.46 0.00 0.00 0.69 0.00 0.00 54.13 56.35 2kb6 s LEU 79 Cb -0.07 -3.39 0.03 0.00 -0.43 0.00 0.00 46.19 42.32 2kb6 s LEU 79 CO 0.04 -0.25 -0.02 -0.75 -0.29 0.00 0.00 176.35 175.08 2kb6 s LYS 80 N 1.17 0.59 -0.18 1.98 2.36 -0.33 -5.01 119.74 120.33 2kb6 s LYS 80 Ca 0.46 0.02 -0.10 0.00 -2.55 0.00 0.00 55.97 53.80 2kb6 s LYS 80 Cb -0.19 -0.76 -0.05 0.00 -1.05 0.00 0.00 37.83 35.78 2kb6 s LYS 80 CO 0.22 -0.16 0.14 0.15 1.55 0.00 0.00 175.35 177.25 2kb6 s LYS 81 N 1.27 4.00 0.33 4.03 1.02 -1.26 0.86 119.74 129.98 2kb6 s LYS 81 Ca -0.06 -0.17 0.07 0.00 0.02 0.00 0.00 55.97 55.83 2kb6 s LYS 81 Cb -0.13 -3.36 -0.06 0.00 -0.52 0.00 0.00 37.83 33.75 2kb6 s LYS 81 CO -0.02 0.42 -0.04 -1.12 -0.92 0.00 0.00 175.35 173.67 2kb6 s SER 82 N 0.01 3.15 -0.25 2.83 0.01 0.13 -4.96 113.70 114.63 2kb6 s SER 82 Ca 0.10 -1.25 -0.03 0.00 1.31 0.00 0.00 55.95 56.08 2kb6 s SER 82 Cb -0.11 -0.24 0.08 0.00 0.21 0.00 0.00 66.02 65.96 2kb6 s SER 82 CO -0.00 -0.36 0.10 -0.89 0.41 0.00 0.00 173.24 172.50 2kb6 s THR 83 N -2.90 0.20 0.27 1.44 2.01 -1.26 -0.70 115.64 114.70 2kb6 s THR 83 Ca 0.32 -0.70 -0.14 0.00 0.31 0.00 0.00 61.69 61.48 2kb6 s THR 83 Cb 0.05 -1.02 0.00 0.00 0.01 0.00 0.00 72.50 71.55 2kb6 s THR 83 CO 0.15 -0.53 0.54 0.21 -0.69 0.00 0.00 174.62 174.29 2kb6 s ASN 84 N 1.98 -0.06 0.40 3.53 2.47 -0.77 -4.76 114.94 117.74 2kb6 s ASN 84 Ca 0.06 -0.92 -0.10 0.00 0.42 0.00 0.00 52.86 52.32 2kb6 s ASN 84 Cb -0.16 0.63 -0.06 0.00 -1.45 0.00 0.00 41.25 40.20 2kb6 s ASN 84 CO -0.24 -1.21 0.76 -1.59 -3.72 0.00 0.00 177.10 171.10 2kb6 s LYS 85 N -3.86 3.76 0.19 0.43 -2.85 -1.25 -0.76 119.74 115.41 2kb6 s LYS 85 Ca 0.21 0.43 0.02 0.00 -1.00 0.00 0.00 55.97 55.63 2kb6 s LYS 85 Cb -0.02 -2.40 -0.05 0.00 -2.06 0.00 0.00 37.83 33.30 2kb6 s LYS 85 CO 0.09 -0.04 0.02 -0.59 0.10 0.00 0.00 175.35 174.94 2kb6 s PHE 86 N -2.38 1.30 -0.16 1.78 -0.12 -1.26 -4.37 117.98 112.77 2kb6 s PHE 86 Ca 0.51 -1.04 -0.02 0.00 -0.05 0.00 0.00 56.93 56.32 2kb6 s PHE 86 Cb -0.10 -0.74 -0.02 0.00 -0.63 0.00 0.00 43.02 41.53 2kb6 s PHE 86 CO 0.32 -0.22 -0.09 0.00 -0.05 0.00 0.00 175.22 175.18 2kb6 s ALA 87 N -3.66 2.76 0.08 1.99 0.00 -0.22 -0.22 121.76 122.49 2kb6 s ALA 87 Ca 0.27 -0.95 0.04 0.00 0.00 0.00 0.00 51.96 51.33 2kb6 s ALA 87 Cb 0.06 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.73 2kb6 s ALA 87 CO 0.06 0.06 -0.12 0.14 0.00 0.00 0.00 175.76 175.91 2kb6 s VAL 88 N 0.65 1.00 -0.37 0.00 -7.23 -0.39 -0.15 120.40 113.91 2kb6 s VAL 88 Ca -0.05 -1.44 -0.16 0.00 -1.81 0.00 0.00 61.98 58.52 2kb6 s VAL 88 Cb -0.15 -1.17 -0.00 0.00 0.56 0.00 0.00 36.38 35.62 2kb6 s VAL 88 CO 0.03 -0.39 0.41 -0.89 -0.31 0.00 0.00 175.10 173.95 2kb6 s THR 89 N -1.80 5.11 0.01 5.32 2.01 -0.01 -0.26 115.64 126.03 2kb6 s THR 89 Ca 0.01 0.00 0.02 0.00 0.31 0.00 0.00 61.69 62.03 2kb6 s THR 89 Cb -0.07 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 2kb6 s THR 89 CO 0.01 -0.21 0.02 0.00 -0.69 0.00 0.00 174.62 173.75 2kb6 s GLU 91 N -1.73 0.12 -1.45 0.00 2.12 -0.61 -2.76 118.70 114.40 2kb6 s GLU 91 Ca 0.21 0.36 -0.02 0.00 0.36 0.00 0.00 54.97 55.89 2kb6 s GLU 91 Cb -0.12 -0.12 0.00 0.00 0.26 0.00 0.00 34.13 34.15 2kb6 s GLU 91 CO 0.13 -0.14 0.27 0.09 -0.54 0.00 0.00 175.26 175.07 2kb6 n ASN 92 N 3.99 -5.40 -3.60 -1.70 5.03 0.73 -2.55 115.26 111.77 2kb6 n ASN 92 Ca -0.24 -0.13 -0.23 0.00 0.87 0.00 0.00 54.58 54.84 2kb6 n ASN 92 Cb 0.53 -4.35 0.08 0.00 -1.02 0.00 0.00 39.78 35.02 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 -3.17 -7.66 -3.75 3.52 6.02 0.25 -4.97 117.38 107.62 2kb6 n GLN 93 Ca -0.16 0.82 -0.14 0.00 -0.01 0.00 0.00 57.00 57.51 2kb6 n GLN 93 Cb 0.63 -5.86 -0.15 0.00 1.02 0.00 0.00 30.24 25.89 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 -3.33 -0.19 -0.40 -1.58 0.00 -1.06 -4.77 121.76 110.43 2kb6 s ALA 94 Ca 0.51 0.60 -0.29 0.00 0.00 0.00 0.00 51.96 52.78 2kb6 s ALA 94 Cb -0.23 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.48 2kb6 s ALA 94 CO 0.74 -0.16 1.29 -1.25 0.00 0.00 0.00 175.76 176.38 2kb6 s PRO 95 N 1.18 3.71 -0.01 0.00 0.04 -1.26 -1.57 135.00 137.09 2kb6 s PRO 95 Ca -0.09 0.90 0.09 0.00 0.04 0.00 0.00 61.00 61.94 2kb6 s PRO 95 Cb -0.12 -3.95 -0.13 0.00 0.04 0.00 0.00 34.50 30.34 2kb6 s PRO 95 CO -0.05 -1.39 0.25 0.28 0.04 0.00 0.00 177.00 176.12 2kb6 n VAL 96 N 6.78 0.00 -4.25 -0.36 0.31 -1.02 -4.68 118.33 115.10 2kb6 n VAL 96 Ca 0.15 -0.23 -0.18 0.00 -0.01 0.00 0.00 64.34 64.06 2kb6 n VAL 96 Cb 0.48 0.49 -0.13 0.00 -0.91 0.00 0.00 33.84 33.77 2kb6 n VAL 96 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 2kb6 s HIS 97 N -2.42 1.06 -0.13 3.52 5.65 -1.16 -4.91 115.29 116.91 2kb6 s HIS 97 Ca -0.02 -0.37 0.00 0.00 0.25 0.00 0.00 55.06 54.92 2kb6 s HIS 97 Cb 0.06 -0.63 -0.01 0.00 -1.18 0.00 0.00 32.58 30.82 2kb6 s HIS 97 CO 0.38 0.01 -0.13 0.12 -0.65 0.00 0.00 174.74 174.47 2kb6 s PHE 98 N -0.95 2.80 -0.23 3.88 5.36 -1.26 -0.83 117.98 126.75 2kb6 s PHE 98 Ca -0.01 -0.64 -0.05 0.00 -0.96 0.00 0.00 56.93 55.27 2kb6 s PHE 98 Cb -0.08 -1.83 -0.18 0.00 -0.34 0.00 0.00 43.02 40.59 2kb6 s PHE 98 CO 0.01 -0.20 -0.09 0.28 -1.46 0.00 0.00 175.22 173.76 2kb6 n VAL 99 N 3.48 1.57 0.00 3.12 0.31 0.79 -4.90 118.33 122.69 2kb6 n VAL 99 Ca -0.18 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.64 2kb6 n VAL 99 Cb 0.53 -1.63 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 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 1.94 4.10 3.59 2.92 0.00 -1.00 -4.98 105.19 111.75 2kb6 n GLY 100 Ca -0.44 -1.32 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 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 4.96 0.00 1.61 -7.23 -1.26 -1.06 120.40 115.42 2kb6 s VAL 101 Ca 0.00 0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.86 2kb6 s VAL 101 Cb 0.00 -3.99 0.00 0.00 0.56 0.00 0.00 36.38 32.95 2kb6 s VAL 101 CO 0.00 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.23 2kb6 n GLY 102 N 4.56 -1.83 3.31 2.32 0.00 -1.26 -5.03 105.19 107.25 2kb6 n GLY 102 Ca -0.02 1.00 -0.45 0.00 0.00 0.00 0.00 46.02 46.55 2kb6 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kb6 s SER 103 N 0.00 6.86 0.00 1.61 1.04 -1.26 -5.02 113.70 116.93 2kb6 s SER 103 Ca 0.00 -3.13 0.00 0.00 0.48 0.00 0.00 55.95 53.30 2kb6 s SER 103 Cb 0.00 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.95 2kb6 s SER 103 CO 0.00 -0.42 0.00 0.00 0.98 0.00 0.00 173.24 173.80