#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 1.06 -0.08 1.24 2.91 -1.92 0.67 115.95 119.83 2kb6 h TRP 3 Ca 0.00 0.03 -0.11 0.00 1.13 0.00 0.00 58.89 59.94 2kb6 h TRP 3 Cb 0.00 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 28.30 2kb6 h TRP 3 CO 0.00 0.61 -0.36 1.25 -1.03 0.00 0.00 178.44 178.91 2kb6 h LEU 4 N 1.09 0.46 0.00 0.65 5.85 -2.02 -3.30 115.31 118.04 2kb6 h LEU 4 Ca 0.35 -0.64 0.00 0.00 0.84 0.00 0.00 57.88 58.43 2kb6 h LEU 4 Cb 0.03 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.92 2kb6 h LEU 4 CO -0.10 1.03 -0.11 0.74 -0.34 0.00 0.00 178.44 179.65 2kb6 h THR 5 N -0.08 0.00 0.00 1.05 2.02 -1.88 -2.88 112.91 111.14 2kb6 h THR 5 Ca -0.02 -0.98 -0.05 0.00 0.77 0.00 0.00 66.41 66.12 2kb6 h THR 5 Cb 1.01 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.34 2kb6 h THR 5 CO 0.08 0.00 -0.25 0.15 0.37 0.00 0.00 175.52 175.87 2kb6 h PHE 6 N 0.00 0.00 -0.13 3.16 3.57 0.26 -1.39 116.94 122.41 2kb6 h PHE 6 Ca 0.00 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 2kb6 h PHE 6 Cb 0.99 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 2kb6 h PHE 6 CO 0.00 0.25 -0.42 1.96 -2.23 0.00 0.00 178.31 177.87 2kb6 h GLN 7 N 0.00 0.30 0.00 1.11 4.20 -1.59 0.49 115.11 119.62 2kb6 h GLN 7 Ca -0.00 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.39 2kb6 h GLN 7 Cb 0.53 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 2kb6 h GLN 7 CO 0.03 0.67 -0.82 -0.22 -0.67 0.00 0.00 178.83 177.82 2kb6 h LYS 8 N 0.25 0.00 0.11 1.46 3.11 -1.43 -2.05 116.57 118.03 2kb6 h LYS 8 Ca 0.02 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.59 2kb6 h LYS 8 Cb 0.85 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.08 2kb6 h LYS 8 CO 0.07 0.82 -1.40 0.87 -2.81 0.00 0.00 179.45 177.00 2kb6 h LYS 9 N 0.00 0.23 0.00 1.90 1.79 -0.93 -3.43 116.57 116.14 2kb6 h LYS 9 Ca -0.01 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 2kb6 h LYS 9 Cb 1.46 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 32.26 2kb6 h LYS 9 CO 0.11 1.19 0.00 0.72 -1.08 0.00 0.00 179.45 180.39 2kb6 n HIS 10 N -3.94 0.00 -4.58 -1.35 8.25 0.17 -4.91 115.22 108.87 2kb6 n HIS 10 Ca -0.25 -0.07 -0.34 0.00 -0.26 0.00 0.00 57.72 56.80 2kb6 n HIS 10 Cb 0.89 -0.01 -0.11 0.00 1.12 0.00 0.00 29.99 31.89 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 -0.15 3.73 -0.03 1.59 -1.09 -0.77 -0.12 121.20 124.37 2kb6 s ILE 11 Ca 0.00 -0.53 0.03 0.00 -2.23 0.00 0.00 60.65 57.93 2kb6 s ILE 11 Cb 0.00 -2.55 -0.00 0.00 -1.58 0.00 0.00 42.46 38.33 2kb6 s ILE 11 CO 0.00 0.56 -0.13 0.28 -1.23 0.00 0.00 174.94 174.42 2kb6 s THR 12 N -0.86 1.04 -2.13 2.92 -1.32 -0.47 -4.57 115.64 110.26 2kb6 s THR 12 Ca 0.13 -0.52 0.25 0.00 -1.21 0.00 0.00 61.69 60.34 2kb6 s THR 12 Cb -0.11 -0.90 0.19 0.00 -1.51 0.00 0.00 72.50 70.18 2kb6 s THR 12 CO 0.03 0.31 1.37 -0.46 -2.21 0.00 0.00 174.62 173.66 2kb6 n ASN 13 N 3.08 1.73 -4.18 8.08 0.23 -1.26 -3.52 115.26 119.42 2kb6 n ASN 13 Ca -0.17 -1.35 -0.29 0.00 -0.53 0.00 0.00 54.58 52.24 2kb6 n ASN 13 Cb 0.54 0.23 -0.16 0.00 -2.08 0.00 0.00 39.78 38.30 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 1.74 0.18 5.53 -1.32 -1.26 -5.01 115.64 113.13 2kb6 s THR 14 Ca 0.25 -0.87 -0.03 0.00 -1.21 0.00 0.00 61.69 59.83 2kb6 s THR 14 Cb 0.19 -1.50 -0.08 0.00 -1.51 0.00 0.00 72.50 69.60 2kb6 s THR 14 CO 0.48 0.49 1.46 -0.09 -2.21 0.00 0.00 174.62 174.76 2kb6 h ARG 15 N 6.42 0.53 -2.40 7.08 2.43 -1.97 -3.31 114.38 123.16 2kb6 h ARG 15 Ca -0.28 -0.37 -0.70 0.00 -0.81 0.00 0.00 59.98 57.81 2kb6 h ARG 15 Cb 1.19 0.06 -0.35 0.00 -0.42 0.00 0.00 29.97 30.46 2kb6 h ARG 15 CO 0.47 0.99 0.15 -3.47 -1.51 0.00 0.00 179.97 176.61 2kb6 n ASP 16 N -3.92 5.56 -4.66 -3.80 2.03 -1.26 -4.91 116.55 105.59 2kb6 n ASP 16 Ca -0.04 -3.58 -0.43 0.00 0.52 0.00 0.00 54.79 51.27 2kb6 n ASP 16 Cb 0.65 -0.91 -0.02 0.00 -0.72 0.00 0.00 41.12 40.12 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 -3.62 4.60 -1.11 5.18 0.11 -1.25 -4.93 120.40 119.37 2kb6 s VAL 17 Ca 0.40 1.92 -0.16 0.00 -2.93 0.00 0.00 61.98 61.21 2kb6 s VAL 17 Cb 0.17 -4.24 -0.07 0.00 -1.53 0.00 0.00 36.38 30.72 2kb6 s VAL 17 CO -0.05 -0.15 2.14 -0.90 -3.33 0.00 0.00 175.10 172.81 2kb6 n ASP 18 N 6.22 3.73 0.10 3.54 5.75 -1.26 -4.64 116.55 129.99 2kb6 n ASP 18 Ca 0.12 -2.70 0.13 0.00 -0.01 0.00 0.00 54.79 52.33 2kb6 n ASP 18 Cb 0.46 -1.36 0.63 0.00 -1.03 0.00 0.00 41.12 39.83 2kb6 n ASP 18 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kb6 h ASP 20 N 0.08 0.22 0.57 0.00 3.58 -1.87 -0.23 116.42 118.77 2kb6 h ASP 20 Ca 0.14 0.12 -0.27 0.00 0.42 0.00 0.00 57.03 57.44 2kb6 h ASP 20 Cb 0.48 0.11 -0.05 0.00 1.72 0.00 0.00 39.33 41.59 2kb6 h ASP 20 CO -0.01 0.07 -1.61 0.78 -2.88 0.00 0.00 179.24 175.60 2kb6 h ASN 21 N 0.40 0.00 0.09 2.28 -0.26 -1.53 -3.37 115.58 113.19 2kb6 h ASN 21 Ca 0.41 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.12 2kb6 h ASN 21 Cb 0.64 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.89 2kb6 h ASN 21 CO -0.42 0.95 -0.12 -0.29 -1.06 0.00 0.00 177.43 176.49 2kb6 h ILE 22 N 0.00 1.12 0.00 2.81 2.10 -0.19 -2.11 117.51 121.24 2kb6 h ILE 22 Ca -0.25 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 65.15 2kb6 h ILE 22 Cb 1.94 1.22 0.00 0.00 -1.09 0.00 0.00 36.82 38.89 2kb6 h ILE 22 CO 0.08 0.16 0.00 0.00 -1.08 0.00 0.00 178.15 177.31 2kb6 h MET 23 N 0.08 0.00 0.00 2.19 -0.00 -1.22 0.54 114.93 116.53 2kb6 h MET 23 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.72 2kb6 h MET 23 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.87 2kb6 h MET 23 CO 0.02 0.00 0.00 0.43 -0.00 0.00 0.00 176.91 177.36 2kb6 n SER 24 N -2.41 0.00 -4.84 -0.10 7.64 -0.79 -0.82 113.62 112.29 2kb6 n SER 24 Ca 0.00 -0.73 -0.37 0.00 1.01 0.00 0.00 58.87 58.78 2kb6 n SER 24 Cb 0.15 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.23 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 -2.12 5.36 0.49 0.44 2.01 0.18 -4.93 115.64 117.07 2kb6 s THR 25 Ca 0.40 0.40 0.34 0.00 0.31 0.00 0.00 61.69 63.13 2kb6 s THR 25 Cb 0.19 -3.51 0.34 0.00 0.01 0.00 0.00 72.50 69.53 2kb6 s THR 25 CO 0.35 0.57 2.03 -1.13 -0.69 0.00 0.00 174.62 175.74 2kb6 h ASN 26 N 5.28 0.00 -0.40 3.53 -0.73 -1.85 0.32 115.58 121.73 2kb6 h ASN 26 Ca -0.51 0.00 0.07 0.00 1.87 0.00 0.00 56.30 57.73 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 0.63 0.00 0.01 0.25 -0.37 0.00 0.00 177.43 177.95 2kb6 h LEU 27 N 0.00 -0.14 0.01 0.34 6.46 -1.90 -3.06 115.31 117.02 2kb6 h LEU 27 Ca 0.00 0.09 -0.34 0.00 -0.12 0.00 0.00 57.88 57.51 2kb6 h LEU 27 Cb 0.27 0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 40.30 2kb6 h LEU 27 CO 0.00 -0.03 -2.11 0.49 -0.62 0.00 0.00 178.44 176.17 2kb6 n PHE 28 N -5.18 0.48 -4.08 1.25 3.01 -0.17 -5.01 117.46 107.76 2kb6 n PHE 28 Ca 0.03 0.16 -0.41 0.00 1.01 0.00 0.00 57.45 58.23 2kb6 n PHE 28 Cb 0.21 -1.08 -0.00 0.00 -0.01 0.00 0.00 39.48 38.59 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 -2.97 -1.43 -3.53 1.38 1.44 0.94 -1.72 115.22 109.34 2kb6 n HIS 29 Ca -0.28 0.24 -0.19 0.00 -2.01 0.00 0.00 57.72 55.48 2kb6 n HIS 29 Cb 1.09 -2.90 0.06 0.00 0.12 0.00 0.00 29.99 28.36 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 -5.51 3.70 0.03 0.00 0.00 -0.70 -4.97 119.74 112.28 2kb6 s LYS 31 Ca 0.10 1.32 -0.18 0.00 0.00 0.00 0.00 55.97 57.20 2kb6 s LYS 31 Cb -0.02 -2.08 -0.22 0.00 0.00 0.00 0.00 37.83 35.51 2kb6 s LYS 31 CO 0.77 -0.51 1.15 -0.44 0.00 0.00 0.00 175.35 176.32 2kb6 h ASP 32 N 1.29 0.64 -3.85 0.03 3.32 -1.90 -3.46 116.42 112.49 2kb6 h ASP 32 Ca -0.49 -0.73 -0.07 0.00 0.02 0.00 0.00 57.03 55.77 2kb6 h ASP 32 Cb 1.22 -0.19 -0.22 0.00 0.22 0.00 0.00 39.33 40.35 2kb6 h ASP 32 CO 0.59 1.27 -0.04 -1.59 -1.72 0.00 0.00 179.24 177.76 2kb6 s LYS 33 N -3.35 0.67 -0.14 3.56 0.00 -1.25 -0.47 119.74 118.77 2kb6 s LYS 33 Ca -0.12 0.85 -0.05 0.00 0.00 0.00 0.00 55.97 56.65 2kb6 s LYS 33 Cb 0.05 0.30 0.07 0.00 0.00 0.00 0.00 37.83 38.25 2kb6 s LYS 33 CO 0.84 -0.09 0.26 1.21 0.00 0.00 0.00 175.35 177.57 2kb6 s ASN 34 N 0.46 0.47 -0.28 0.03 2.47 -1.10 -4.98 114.94 112.01 2kb6 s ASN 34 Ca -0.01 0.49 -0.15 0.00 0.42 0.00 0.00 52.86 53.60 2kb6 s ASN 34 Cb -0.04 0.66 -0.03 0.00 -1.45 0.00 0.00 41.25 40.38 2kb6 s ASN 34 CO -0.01 -0.25 0.40 -0.89 -3.72 0.00 0.00 177.10 172.62 2kb6 s THR 35 N 2.41 5.15 -0.06 -5.21 2.01 -1.26 -2.85 115.64 115.82 2kb6 s THR 35 Ca 0.02 0.53 0.03 0.00 0.31 0.00 0.00 61.69 62.58 2kb6 s THR 35 Cb -0.12 -3.75 -0.02 0.00 0.01 0.00 0.00 72.50 68.61 2kb6 s THR 35 CO -0.09 0.09 -0.14 0.72 -0.69 0.00 0.00 174.62 174.51 2kb6 s PHE 36 N 2.12 2.72 -0.33 4.92 -0.12 -0.88 -4.83 117.98 121.58 2kb6 s PHE 36 Ca 0.16 -0.23 -0.24 0.00 -0.05 0.00 0.00 56.93 56.57 2kb6 s PHE 36 Cb -0.16 -1.66 0.00 0.00 -0.63 0.00 0.00 43.02 40.58 2kb6 s PHE 36 CO 0.10 0.13 0.81 0.42 -0.05 0.00 0.00 175.22 176.63 2kb6 s ILE 37 N -0.57 4.75 -0.89 -4.49 1.01 0.83 -2.14 121.20 119.69 2kb6 s ILE 37 Ca 0.08 1.12 -0.22 0.00 0.00 0.00 0.00 60.65 61.63 2kb6 s ILE 37 Cb -0.11 -4.19 0.08 0.00 0.01 0.00 0.00 42.46 38.25 2kb6 s ILE 37 CO 0.01 -0.33 1.23 -0.47 0.00 0.00 0.00 174.94 175.38 2kb6 s TYR 38 N 3.07 2.75 0.37 3.97 5.04 -0.20 -1.37 117.35 130.98 2kb6 s TYR 38 Ca 0.33 -0.91 -0.14 0.00 -2.44 0.00 0.00 57.07 53.91 2kb6 s TYR 38 Cb -0.14 -4.47 0.04 0.00 0.35 0.00 0.00 41.96 37.75 2kb6 s TYR 38 CO 0.14 -1.74 0.72 -1.12 -1.34 0.00 0.00 175.55 172.21 2kb6 s SER 39 N 4.12 0.16 0.67 4.32 0.01 -1.23 -4.35 113.70 117.39 2kb6 s SER 39 Ca 0.36 -1.16 -0.11 0.00 1.31 0.00 0.00 55.95 56.34 2kb6 s SER 39 Cb -0.06 0.80 -0.01 0.00 0.21 0.00 0.00 66.02 66.97 2kb6 s SER 39 CO -0.04 -1.58 1.05 -0.13 0.41 0.00 0.00 173.24 172.96 2kb6 s ARG 40 N -2.62 3.19 0.12 12.44 3.00 -1.26 -4.77 118.95 129.06 2kb6 s ARG 40 Ca 0.18 0.78 -0.15 0.00 0.00 0.00 0.00 55.73 56.55 2kb6 s ARG 40 Cb -0.04 -2.03 -0.02 0.00 0.00 0.00 0.00 34.95 32.85 2kb6 s ARG 40 CO 0.13 -0.87 1.57 -1.00 0.00 0.00 0.00 175.30 175.12 2kb6 h PRO 41 N -0.54 0.72 -0.24 3.54 0.13 -1.99 -3.29 132.00 130.32 2kb6 h PRO 41 Ca -0.44 -0.23 -0.01 0.00 -0.87 0.00 0.00 66.00 64.45 2kb6 h PRO 41 Cb 1.21 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2kb6 h PRO 41 CO 0.60 0.81 0.12 0.93 -0.23 0.00 0.00 178.00 180.23 2kb6 h GLU 42 N 0.54 0.35 -0.93 0.86 4.39 -1.99 -1.18 114.58 116.63 2kb6 h GLU 42 Ca 0.11 -0.05 0.18 0.00 0.34 0.00 0.00 59.36 59.94 2kb6 h GLU 42 Cb 0.49 -0.06 -0.08 0.00 -0.10 0.00 0.00 28.75 29.00 2kb6 h GLU 42 CO 0.02 0.35 0.59 -1.35 -1.16 0.00 0.00 179.01 177.47 2kb6 h PRO 43 N 0.27 0.59 -0.27 2.33 0.11 -1.98 -0.09 132.00 132.95 2kb6 h PRO 43 Ca 0.08 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 2kb6 h PRO 43 Cb 0.11 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 2kb6 h PRO 43 CO -0.01 0.39 -0.15 0.28 -0.21 0.00 0.00 178.00 178.30 2kb6 h VAL 44 N 0.60 1.30 -0.00 3.15 2.07 -1.35 -3.07 116.25 118.94 2kb6 h VAL 44 Ca 0.49 -1.25 -0.05 0.00 0.82 0.00 0.00 66.70 66.71 2kb6 h VAL 44 Cb 0.93 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2kb6 h VAL 44 CO -0.23 0.39 -0.23 0.50 0.02 0.00 0.00 177.57 178.02 2kb6 h LYS 45 N 0.30 0.00 -0.05 1.57 3.64 -0.26 -2.95 116.57 118.83 2kb6 h LYS 45 Ca 0.06 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2kb6 h LYS 45 Cb 0.67 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2kb6 h LYS 45 CO 0.04 0.23 0.06 0.00 -2.27 0.00 0.00 179.45 177.52 2kb6 h ALA 46 N 1.77 1.64 0.00 5.00 0.00 -0.95 0.55 119.26 127.26 2kb6 h ALA 46 Ca -0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kb6 h ALA 46 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 2kb6 h ALA 46 CO 0.03 -0.09 -0.25 0.82 0.00 0.00 0.00 179.25 179.76 2kb6 h ILE 47 N 0.00 1.04 -0.39 0.00 2.04 -1.65 -2.90 117.51 115.65 2kb6 h ILE 47 Ca 0.03 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2kb6 h ILE 47 Cb 0.15 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2kb6 h ILE 47 CO -0.00 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.40 2kb6 s LYS 49 N -1.75 3.51 0.00 0.00 2.47 -1.10 -1.12 119.74 121.76 2kb6 s LYS 49 Ca 0.31 2.11 0.00 0.00 -1.56 0.00 0.00 55.97 56.83 2kb6 s LYS 49 Cb 0.20 -4.26 0.00 0.00 -1.46 0.00 0.00 37.83 32.31 2kb6 s LYS 49 CO 0.14 -1.66 0.00 0.41 0.16 0.00 0.00 175.35 174.40 2kb6 n GLY 50 N 5.26 0.77 3.57 5.54 0.00 -1.26 -5.02 105.19 114.04 2kb6 n GLY 50 Ca 0.25 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.21 4.16 -0.22 -0.61 -1.09 -0.27 -4.86 121.20 116.09 2kb6 s ILE 51 Ca 0.00 0.78 -0.16 0.00 -2.23 0.00 0.00 60.65 59.04 2kb6 s ILE 51 Cb 0.00 -4.65 -0.11 0.00 -1.58 0.00 0.00 42.46 36.12 2kb6 s ILE 51 CO 0.00 -1.21 -0.19 0.00 -1.23 0.00 0.00 174.94 172.30 2kb6 n ILE 52 N 6.56 1.51 -2.19 2.92 0.13 -1.26 0.15 119.36 127.18 2kb6 n ILE 52 Ca 0.07 -0.11 -0.33 0.00 -1.10 0.00 0.00 62.75 61.28 2kb6 n ILE 52 Cb 0.49 -2.08 -0.00 0.00 -0.84 0.00 0.00 39.64 37.20 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 -2.58 2.81 -0.61 1.51 0.00 -1.26 0.04 121.76 121.66 2kb6 s ALA 53 Ca -0.31 0.40 -0.28 0.00 0.00 0.00 0.00 51.96 51.77 2kb6 s ALA 53 Cb 0.09 -3.22 0.02 0.00 0.00 0.00 0.00 23.12 20.01 2kb6 s ALA 53 CO 0.47 -0.64 1.36 -1.54 0.00 0.00 0.00 175.76 175.41 2kb6 s SER 54 N -2.67 6.15 0.02 0.00 1.04 -1.23 -4.37 113.70 112.63 2kb6 s SER 54 Ca 0.64 0.06 0.01 0.00 0.48 0.00 0.00 55.95 57.14 2kb6 s SER 54 Cb -0.15 -2.55 -0.01 0.00 0.10 0.00 0.00 66.02 63.40 2kb6 s SER 54 CO 0.33 -1.74 -0.04 -1.59 0.98 0.00 0.00 173.24 171.19 2kb6 s LYS 55 N 5.55 0.30 -0.20 4.02 0.00 -1.07 -4.94 119.74 123.39 2kb6 s LYS 55 Ca 0.47 -0.45 -0.29 0.00 0.00 0.00 0.00 55.97 55.70 2kb6 s LYS 55 Cb -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 37.83 37.64 2kb6 s LYS 55 CO 0.22 0.00 1.57 1.21 0.00 0.00 0.00 175.35 178.35 2kb6 s ASN 56 N -0.98 6.48 -0.12 0.03 3.04 -1.26 -2.72 114.94 119.41 2kb6 s ASN 56 Ca -0.09 1.66 -0.05 0.00 0.04 0.00 0.00 52.86 54.43 2kb6 s ASN 56 Cb -0.07 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 37.07 2kb6 s ASN 56 CO -0.00 -1.17 0.05 -0.69 -3.04 0.00 0.00 177.10 172.25 2kb6 s VAL 57 N 4.86 4.71 -0.20 -5.21 1.01 0.10 -4.93 120.40 120.75 2kb6 s VAL 57 Ca 0.69 -0.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.50 2kb6 s VAL 57 Cb -0.25 -3.04 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2kb6 s VAL 57 CO 0.28 0.57 0.10 -0.22 0.00 0.00 0.00 175.10 175.82 2kb6 s LEU 58 N -0.53 3.95 0.28 3.92 0.20 -1.26 -1.52 118.68 123.72 2kb6 s LEU 58 Ca 0.10 0.11 -0.30 0.00 0.69 0.00 0.00 54.13 54.73 2kb6 s LEU 58 Cb -0.12 -2.02 -0.11 0.00 -0.43 0.00 0.00 46.19 43.51 2kb6 s LEU 58 CO 0.02 0.15 1.59 -0.89 -0.29 0.00 0.00 176.35 176.93 2kb6 s THR 59 N 0.53 2.13 -0.24 3.68 2.01 0.31 -4.92 115.64 119.13 2kb6 s THR 59 Ca 0.05 0.10 0.22 0.00 0.31 0.00 0.00 61.69 62.37 2kb6 s THR 59 Cb -0.12 -3.07 0.02 0.00 0.01 0.00 0.00 72.50 69.34 2kb6 s THR 59 CO 0.00 0.02 1.08 0.71 -0.69 0.00 0.00 174.62 175.74 2kb6 h THR 60 N 3.45 0.07 -1.85 -0.82 1.35 -1.97 -3.42 112.91 109.71 2kb6 h THR 60 Ca -0.46 -1.13 -0.47 0.00 -0.55 0.00 0.00 66.41 63.79 2kb6 h THR 60 Cb 1.22 1.62 -0.02 0.00 -1.73 0.00 0.00 68.15 69.24 2kb6 h THR 60 CO 0.81 0.04 -0.41 -0.55 -0.25 0.00 0.00 175.52 175.16 2kb6 s SER 61 N -5.51 5.58 -0.19 5.36 0.15 -1.26 -5.02 113.70 112.81 2kb6 s SER 61 Ca -0.00 -0.36 -0.09 0.00 0.70 0.00 0.00 55.95 56.21 2kb6 s SER 61 Cb 0.09 -1.11 -0.05 0.00 -1.71 0.00 0.00 66.02 63.24 2kb6 s SER 61 CO 0.78 -0.36 0.10 -1.83 1.20 0.00 0.00 173.24 173.13 2kb6 s GLU 62 N -4.05 4.07 0.29 5.44 1.03 -1.26 -3.82 118.70 120.39 2kb6 s GLU 62 Ca 0.42 -0.28 0.10 0.00 0.03 0.00 0.00 54.97 55.24 2kb6 s GLU 62 Cb -0.07 -3.31 -0.05 0.00 -0.80 0.00 0.00 34.13 29.90 2kb6 s GLU 62 CO 0.28 0.30 -0.03 -0.06 -1.33 0.00 0.00 175.26 174.43 2kb6 s PHE 63 N 0.31 2.58 -0.61 4.83 0.40 -0.08 -4.70 117.98 120.71 2kb6 s PHE 63 Ca 0.06 -0.30 -0.28 0.00 -0.60 0.00 0.00 56.93 55.81 2kb6 s PHE 63 Cb -0.12 -1.25 0.03 0.00 0.51 0.00 0.00 43.02 42.19 2kb6 s PHE 63 CO -0.01 0.59 1.25 0.71 0.70 0.00 0.00 175.22 178.46 2kb6 s TYR 64 N -2.41 2.47 -0.17 0.36 1.51 -1.26 -1.53 117.35 116.31 2kb6 s TYR 64 Ca 0.32 0.32 -0.00 0.00 -1.01 0.00 0.00 57.07 56.70 2kb6 s TYR 64 Cb -0.04 -4.52 0.00 0.00 -0.11 0.00 0.00 41.96 37.29 2kb6 s TYR 64 CO 0.19 -1.77 -0.15 -0.51 -1.11 0.00 0.00 175.55 172.20 2kb6 s LEU 65 N 5.34 2.44 -0.36 -1.29 1.43 0.14 -1.03 118.68 125.36 2kb6 s LEU 65 Ca 0.43 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.88 2kb6 s LEU 65 Cb -0.08 -1.57 -0.01 0.00 0.03 0.00 0.00 46.19 44.57 2kb6 s LEU 65 CO 0.23 0.04 0.26 -0.44 0.23 0.00 0.00 176.35 176.67 2kb6 s SER 66 N 1.07 6.06 -0.12 2.29 0.01 -0.91 -0.32 113.70 121.78 2kb6 s SER 66 Ca -0.00 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.68 2kb6 s SER 66 Cb -0.14 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 63.92 2kb6 s SER 66 CO -0.04 -0.30 -0.09 -0.62 0.41 0.00 0.00 173.24 172.60 2kb6 s ASP 67 N 1.71 4.39 -0.35 2.44 2.15 0.13 -2.07 116.67 125.06 2kb6 s ASP 67 Ca 0.06 -0.19 0.00 0.00 0.43 0.00 0.00 52.55 52.85 2kb6 s ASP 67 Cb -0.18 -1.51 0.09 0.00 -0.30 0.00 0.00 42.92 41.02 2kb6 s ASP 67 CO 0.10 0.22 0.09 0.00 -0.17 0.00 0.00 175.17 175.41 2kb6 s ASN 69 N 1.33 5.36 0.42 0.00 0.01 -1.26 -2.72 114.94 118.08 2kb6 s ASN 69 Ca 0.06 -0.35 -0.26 0.00 -0.71 0.00 0.00 52.86 51.60 2kb6 s ASN 69 Cb -0.21 -1.97 -0.09 0.00 0.41 0.00 0.00 41.25 39.40 2kb6 s ASN 69 CO -0.05 -0.11 1.42 0.54 -1.51 0.00 0.00 177.10 177.39 2kb6 s VAL 70 N 1.62 2.17 0.00 1.60 0.11 0.39 -4.28 120.40 122.00 2kb6 s VAL 70 Ca 0.05 0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 2kb6 s VAL 70 Cb -0.16 -3.09 0.00 0.00 -1.53 0.00 0.00 36.38 31.60 2kb6 s VAL 70 CO 0.05 0.03 0.00 0.35 -3.33 0.00 0.00 175.10 172.20 2kb6 n THR 71 N 0.03 0.00 -0.30 5.04 -2.24 -0.72 -4.97 114.28 111.12 2kb6 n THR 71 Ca 0.04 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.80 2kb6 n THR 71 Cb 0.41 -0.73 0.10 0.00 -2.10 0.00 0.00 70.33 68.02 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 0.86 -2.74 3.42 0.02 -1.96 -3.40 113.55 109.75 2kb6 h SER 72 Ca 0.00 -0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 2kb6 h SER 72 Cb 0.00 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2kb6 h SER 72 CO 0.00 0.59 0.97 0.00 -1.14 0.00 0.00 176.83 177.25 2kb6 s ARG 73 N -6.10 4.22 -0.32 3.45 1.70 -1.26 -4.83 118.95 115.80 2kb6 s ARG 73 Ca -0.13 2.15 -0.37 0.00 -0.47 0.00 0.00 55.73 56.92 2kb6 s ARG 73 Cb 0.17 -3.71 -0.13 0.00 -0.57 0.00 0.00 34.95 30.71 2kb6 s ARG 73 CO 0.79 -0.71 2.07 -0.35 -1.08 0.00 0.00 175.30 176.01 2kb6 n PRO 74 N 6.00 1.11 -1.07 3.89 -0.04 -1.26 -1.25 135.00 142.38 2kb6 n PRO 74 Ca 0.15 0.34 -0.03 0.00 -0.04 0.00 0.00 63.50 63.93 2kb6 n PRO 74 Cb 0.42 -2.34 -0.01 0.00 -0.04 0.00 0.00 33.50 31.53 2kb6 n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb6 s LYS 76 N -1.51 3.46 0.36 0.00 -0.14 -0.38 -4.98 119.74 116.54 2kb6 s LYS 76 Ca 0.00 -0.60 -0.02 0.00 -1.36 0.00 0.00 55.97 53.99 2kb6 s LYS 76 Cb 0.00 -2.75 0.00 0.00 -1.68 0.00 0.00 37.83 33.40 2kb6 s LYS 76 CO 0.00 0.27 0.49 1.52 -0.76 0.00 0.00 175.35 176.86 2kb6 s TYR 77 N 0.25 1.12 0.15 3.18 -0.85 -1.26 -1.76 117.35 118.18 2kb6 s TYR 77 Ca -0.06 -1.34 0.10 0.00 -0.52 0.00 0.00 57.07 55.25 2kb6 s TYR 77 Cb -0.15 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.06 2kb6 s TYR 77 CO 0.04 -1.16 -0.23 -1.59 -1.52 0.00 0.00 175.55 171.09 2kb6 s LYS 78 N -2.94 1.35 0.04 -3.49 0.00 -1.26 -4.79 119.74 108.64 2kb6 s LYS 78 Ca 0.31 -1.37 -0.30 0.00 0.00 0.00 0.00 55.97 54.61 2kb6 s LYS 78 Cb -0.01 -1.66 -0.04 0.00 0.00 0.00 0.00 37.83 36.13 2kb6 s LYS 78 CO 0.22 0.37 0.96 -1.17 0.00 0.00 0.00 175.35 175.72 2kb6 s LEU 79 N -2.33 4.42 -0.35 2.77 0.20 -1.26 -4.18 118.68 117.96 2kb6 s LEU 79 Ca 0.15 1.70 -0.02 0.00 0.69 0.00 0.00 54.13 56.65 2kb6 s LEU 79 Cb -0.09 -3.56 0.08 0.00 -0.43 0.00 0.00 46.19 42.20 2kb6 s LEU 79 CO 0.07 -0.17 0.08 -0.75 -0.29 0.00 0.00 176.35 175.29 2kb6 s LYS 80 N 0.56 2.16 -0.34 1.98 2.47 -0.22 -4.99 119.74 121.37 2kb6 s LYS 80 Ca 0.49 -1.54 -0.16 0.00 -1.56 0.00 0.00 55.97 53.20 2kb6 s LYS 80 Cb -0.22 -3.34 -0.01 0.00 -1.46 0.00 0.00 37.83 32.80 2kb6 s LYS 80 CO 0.28 -0.83 0.40 0.15 0.16 0.00 0.00 175.35 175.52 2kb6 s LYS 81 N 1.17 3.62 0.09 4.03 3.01 -1.26 0.19 119.74 130.59 2kb6 s LYS 81 Ca 0.02 -0.30 0.06 0.00 -1.01 0.00 0.00 55.97 54.74 2kb6 s LYS 81 Cb -0.21 -3.79 -0.03 0.00 -1.01 0.00 0.00 37.83 32.79 2kb6 s LYS 81 CO -0.03 -0.53 -0.17 -1.12 0.51 0.00 0.00 175.35 174.01 2kb6 s SER 82 N 1.73 2.04 -0.41 2.83 0.01 0.56 -4.98 113.70 115.49 2kb6 s SER 82 Ca 0.14 -0.65 -0.08 0.00 1.31 0.00 0.00 55.95 56.67 2kb6 s SER 82 Cb -0.16 -0.09 0.08 0.00 0.21 0.00 0.00 66.02 66.06 2kb6 s SER 82 CO 0.12 -0.03 0.23 -0.89 0.41 0.00 0.00 173.24 173.08 2kb6 s THR 83 N -1.27 4.02 0.16 1.44 2.01 -1.26 0.26 115.64 121.00 2kb6 s THR 83 Ca 0.02 -1.46 -0.14 0.00 0.31 0.00 0.00 61.69 60.42 2kb6 s THR 83 Cb -0.10 -3.47 0.02 0.00 0.01 0.00 0.00 72.50 68.96 2kb6 s THR 83 CO 0.03 -0.48 0.40 0.21 -0.69 0.00 0.00 174.62 174.09 2kb6 s ASN 84 N 1.99 -0.14 0.67 3.53 2.47 -0.59 -4.75 114.94 118.12 2kb6 s ASN 84 Ca 0.03 -0.57 -0.11 0.00 0.42 0.00 0.00 52.86 52.63 2kb6 s ASN 84 Cb -0.23 0.50 -0.01 0.00 -1.45 0.00 0.00 41.25 40.07 2kb6 s ASN 84 CO 0.01 -0.94 1.05 -1.59 -3.72 0.00 0.00 177.10 171.91 2kb6 s LYS 85 N -3.89 3.13 0.16 0.43 -2.85 -1.25 -0.91 119.74 114.57 2kb6 s LYS 85 Ca 0.10 0.92 -0.01 0.00 -1.00 0.00 0.00 55.97 55.98 2kb6 s LYS 85 Cb 0.01 -2.02 -0.04 0.00 -2.06 0.00 0.00 37.83 33.73 2kb6 s LYS 85 CO -0.05 -0.94 0.09 -0.59 0.10 0.00 0.00 175.35 173.96 2kb6 s PHE 86 N -3.04 0.99 -0.14 1.78 -0.12 -1.26 -1.10 117.98 115.10 2kb6 s PHE 86 Ca 0.58 -1.29 0.01 0.00 -0.05 0.00 0.00 56.93 56.18 2kb6 s PHE 86 Cb -0.13 -0.52 -0.00 0.00 -0.63 0.00 0.00 43.02 41.74 2kb6 s PHE 86 CO 0.53 -0.56 -0.18 0.00 -0.05 0.00 0.00 175.22 174.96 2kb6 s ALA 87 N -4.09 2.40 0.13 1.99 0.00 0.13 -0.53 121.76 121.79 2kb6 s ALA 87 Ca 0.30 -1.03 0.06 0.00 0.00 0.00 0.00 51.96 51.30 2kb6 s ALA 87 Cb 0.07 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 2kb6 s ALA 87 CO 0.06 0.05 -0.14 0.14 0.00 0.00 0.00 175.76 175.87 2kb6 s VAL 88 N 0.68 1.37 -0.35 0.00 -7.23 -0.58 -1.12 120.40 113.18 2kb6 s VAL 88 Ca -0.09 -1.75 -0.16 0.00 -1.81 0.00 0.00 61.98 58.17 2kb6 s VAL 88 Cb -0.16 -1.57 -0.01 0.00 0.56 0.00 0.00 36.38 35.20 2kb6 s VAL 88 CO 0.02 -0.42 0.42 -0.89 -0.31 0.00 0.00 175.10 173.91 2kb6 s THR 89 N -2.19 5.11 -0.11 5.32 2.01 0.74 0.01 115.64 126.53 2kb6 s THR 89 Ca 0.10 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 2kb6 s THR 89 Cb -0.05 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 2kb6 s THR 89 CO 0.03 -0.14 0.02 0.00 -0.69 0.00 0.00 174.62 173.84 2kb6 s GLU 91 N -0.69 0.09 -1.27 0.00 2.12 -0.27 -2.61 118.70 116.07 2kb6 s GLU 91 Ca 0.11 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.85 2kb6 s GLU 91 Cb -0.12 -0.19 0.00 0.00 0.26 0.00 0.00 34.13 34.08 2kb6 s GLU 91 CO 0.02 -0.19 0.00 0.09 -0.54 0.00 0.00 175.26 174.65 2kb6 n ASN 92 N 4.38 -4.49 -2.19 -1.70 5.03 0.11 -2.59 115.26 113.81 2kb6 n ASN 92 Ca -0.23 0.00 -0.19 0.00 0.87 0.00 0.00 54.58 55.03 2kb6 n ASN 92 Cb 0.51 -3.63 -0.00 0.00 -1.02 0.00 0.00 39.78 35.64 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 -2.42 -1.85 -4.36 3.52 6.02 0.39 -4.96 117.38 113.71 2kb6 n GLN 93 Ca -0.17 0.89 -0.22 0.00 -0.01 0.00 0.00 57.00 57.48 2kb6 n GLN 93 Cb 0.63 -5.43 -0.16 0.00 1.02 0.00 0.00 30.24 26.29 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 -2.95 0.93 -0.73 -1.58 0.00 -1.07 -4.69 121.76 111.68 2kb6 s ALA 94 Ca 0.04 -0.21 -0.26 0.00 0.00 0.00 0.00 51.96 51.52 2kb6 s ALA 94 Cb -0.02 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.62 2kb6 s ALA 94 CO 0.04 0.05 1.65 -1.25 0.00 0.00 0.00 175.76 176.25 2kb6 s PRO 95 N 0.79 2.89 0.00 0.00 0.04 -1.26 -1.11 135.00 136.34 2kb6 s PRO 95 Ca -0.13 0.06 0.15 0.00 0.04 0.00 0.00 61.00 61.13 2kb6 s PRO 95 Cb -0.15 -4.49 0.36 0.00 0.04 0.00 0.00 34.50 30.26 2kb6 s PRO 95 CO 0.02 -2.58 1.27 1.33 0.04 0.00 0.00 177.00 177.08 2kb6 n VAL 96 N 7.00 0.76 -3.76 -0.36 0.24 -0.54 -4.76 118.33 116.91 2kb6 n VAL 96 Ca 0.18 -0.88 -0.13 0.00 -2.04 0.00 0.00 64.34 61.47 2kb6 n VAL 96 Cb 0.50 0.70 -0.10 0.00 -1.47 0.00 0.00 33.84 33.47 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 -1.07 -0.33 -0.17 6.34 5.65 -1.16 -4.53 115.29 120.02 2kb6 s HIS 97 Ca 0.29 0.77 -0.04 0.00 0.25 0.00 0.00 55.06 56.34 2kb6 s HIS 97 Cb 0.16 0.12 -0.02 0.00 -1.18 0.00 0.00 32.58 31.65 2kb6 s HIS 97 CO 0.22 -0.21 -0.04 0.12 -0.65 0.00 0.00 174.74 174.18 2kb6 s PHE 98 N -0.08 3.01 -0.25 3.88 5.36 -1.26 -0.19 117.98 128.45 2kb6 s PHE 98 Ca -0.02 -0.39 -0.01 0.00 -0.96 0.00 0.00 56.93 55.55 2kb6 s PHE 98 Cb -0.03 -1.98 -0.17 0.00 -0.34 0.00 0.00 43.02 40.50 2kb6 s PHE 98 CO 0.01 -0.11 -0.19 0.28 -1.46 0.00 0.00 175.22 173.75 2kb6 n VAL 99 N 3.74 1.52 0.00 3.12 0.31 -0.27 -4.91 118.33 121.84 2kb6 n VAL 99 Ca -0.17 -0.54 0.00 0.00 -0.01 0.00 0.00 64.34 63.61 2kb6 n VAL 99 Cb 0.52 -1.52 0.00 0.00 -0.91 0.00 0.00 33.84 31.93 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 2.08 4.14 3.89 2.92 0.00 -1.03 -4.98 105.19 112.21 2kb6 n GLY 100 Ca -0.46 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 43.95 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 3.19 0.00 1.61 -7.23 -1.26 0.21 120.40 114.92 2kb6 s VAL 101 Ca 0.00 0.33 0.00 0.00 -1.81 0.00 0.00 61.98 60.50 2kb6 s VAL 101 Cb 0.00 -3.37 0.00 0.00 0.56 0.00 0.00 36.38 33.57 2kb6 s VAL 101 CO 0.00 -0.48 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 2kb6 n GLY 102 N -3.03 0.51 3.28 2.32 0.00 -0.25 -4.79 105.19 103.24 2kb6 n GLY 102 Ca 0.07 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.99 2kb6 n GLY 102 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2kb6 s SER 103 N -4.00 -0.22 0.00 1.61 0.15 -1.26 -4.40 113.70 105.58 2kb6 s SER 103 Ca 0.00 0.00 0.15 0.00 0.70 0.00 0.00 55.95 56.80 2kb6 s SER 103 Cb 0.00 0.37 0.12 0.00 -1.71 0.00 0.00 66.02 64.80 2kb6 s SER 103 CO 0.00 -0.57 0.97 0.00 1.20 0.00 0.00 173.24 174.83