#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 0.69 -0.31 1.24 2.91 -1.84 0.18 115.95 118.81 2kb6 h TRP 3 Ca 0.00 -0.50 -0.08 0.00 1.13 0.00 0.00 58.89 59.44 2kb6 h TRP 3 Cb 0.00 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.61 2kb6 h TRP 3 CO 0.00 1.46 -0.13 1.25 -1.03 0.00 0.00 178.44 179.99 2kb6 h LEU 4 N 0.10 0.53 0.00 0.65 5.85 -1.99 -1.06 115.31 119.40 2kb6 h LEU 4 Ca -0.23 -0.14 -0.15 0.00 0.84 0.00 0.00 57.88 58.19 2kb6 h LEU 4 Cb 2.07 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 42.94 2kb6 h LEU 4 CO 0.22 0.69 -0.93 0.74 -0.34 0.00 0.00 178.44 178.81 2kb6 h THR 5 N 0.50 0.85 -0.36 1.05 2.02 -1.96 -3.18 112.91 111.83 2kb6 h THR 5 Ca 0.09 -2.32 -0.11 0.00 0.77 0.00 0.00 66.41 64.84 2kb6 h THR 5 Cb 0.53 2.34 -0.01 0.00 -1.74 0.00 0.00 68.15 69.27 2kb6 h THR 5 CO 0.03 0.48 -0.22 0.15 0.37 0.00 0.00 175.52 176.34 2kb6 h PHE 6 N 0.00 0.91 0.00 3.16 3.57 -0.19 -0.58 116.94 123.81 2kb6 h PHE 6 Ca -0.07 -0.24 -0.07 0.00 3.53 0.00 0.00 57.97 61.12 2kb6 h PHE 6 Cb 1.53 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 2kb6 h PHE 6 CO 0.00 0.99 -0.33 -0.56 -2.23 0.00 0.00 178.31 176.18 2kb6 h GLN 7 N 0.57 0.00 -0.00 1.11 3.07 -1.30 0.73 115.11 119.28 2kb6 h GLN 7 Ca 0.07 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.63 2kb6 h GLN 7 Cb 0.77 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.32 2kb6 h GLN 7 CO 0.06 0.33 -0.82 -0.22 0.09 0.00 0.00 178.83 178.27 2kb6 h LYS 8 N 0.00 0.11 0.00 0.06 3.11 -1.47 -2.40 116.57 115.98 2kb6 h LYS 8 Ca -0.00 -0.12 -0.36 0.00 -2.81 0.00 0.00 60.65 57.36 2kb6 h LYS 8 Cb 0.61 0.03 -0.07 0.00 -1.00 0.00 0.00 32.23 31.81 2kb6 h LYS 8 CO 0.04 0.87 -2.28 1.17 -2.81 0.00 0.00 179.45 176.45 2kb6 n LYS 9 N -3.65 0.68 0.00 1.90 4.81 -0.25 -4.64 118.16 117.02 2kb6 n LYS 9 Ca -0.02 0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2kb6 n LYS 9 Cb 0.78 -1.57 0.00 0.00 0.02 0.00 0.00 35.03 34.26 2kb6 n LYS 9 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2kb6 n HIS 10 N -2.81 0.00 -4.57 5.64 8.25 0.25 -4.86 115.22 117.12 2kb6 n HIS 10 Ca -0.30 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 56.82 2kb6 n HIS 10 Cb 1.14 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 32.12 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 -0.09 3.51 0.00 1.59 -1.09 -0.90 0.83 121.20 125.04 2kb6 s ILE 11 Ca 0.00 -0.50 0.03 0.00 -2.23 0.00 0.00 60.65 57.96 2kb6 s ILE 11 Cb 0.00 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.36 2kb6 s ILE 11 CO 0.00 0.51 -0.11 0.28 -1.23 0.00 0.00 174.94 174.39 2kb6 s THR 12 N 0.36 0.84 -1.96 2.92 -1.32 -0.96 -4.61 115.64 110.91 2kb6 s THR 12 Ca -0.07 -0.55 0.28 0.00 -1.21 0.00 0.00 61.69 60.14 2kb6 s THR 12 Cb -0.15 -0.72 0.42 0.00 -1.51 0.00 0.00 72.50 70.54 2kb6 s THR 12 CO 0.04 0.17 1.71 -0.46 -2.21 0.00 0.00 174.62 173.87 2kb6 n ASN 13 N 2.63 1.00 -3.88 8.08 2.04 -1.26 -3.52 115.26 120.34 2kb6 n ASN 13 Ca -0.15 -1.01 -0.21 0.00 -0.44 0.00 0.00 54.58 52.78 2kb6 n ASN 13 Cb 0.56 0.05 -0.17 0.00 -2.53 0.00 0.00 39.78 37.69 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 -2.33 0.58 0.24 5.53 -1.32 -1.26 -5.00 115.64 112.09 2kb6 s THR 14 Ca 0.30 -0.12 0.11 0.00 -1.21 0.00 0.00 61.69 60.78 2kb6 s THR 14 Cb 0.20 -0.62 -0.02 0.00 -1.51 0.00 0.00 72.50 70.55 2kb6 s THR 14 CO 0.45 0.25 1.59 0.08 -2.21 0.00 0.00 174.62 174.78 2kb6 h ARG 15 N 7.40 0.00 -2.19 7.08 0.11 -1.94 -3.31 114.38 121.54 2kb6 h ARG 15 Ca -0.34 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.18 2kb6 h ARG 15 Cb 1.15 0.00 -0.16 0.00 1.11 0.00 0.00 29.97 32.07 2kb6 h ARG 15 CO 0.43 0.62 0.98 -3.47 0.10 0.00 0.00 179.97 178.63 2kb6 n ASP 16 N -3.72 6.91 -4.70 0.08 -0.08 -1.26 -4.90 116.55 108.87 2kb6 n ASP 16 Ca -0.01 -3.16 -0.41 0.00 -1.51 0.00 0.00 54.79 49.70 2kb6 n ASP 16 Cb 0.63 -1.28 -0.04 0.00 2.34 0.00 0.00 41.12 42.77 2kb6 n ASP 16 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2kb6 s VAL 17 N -1.81 4.96 -1.30 5.18 0.11 -1.25 -4.97 120.40 121.31 2kb6 s VAL 17 Ca 0.58 1.62 -0.18 0.00 -2.93 0.00 0.00 61.98 61.07 2kb6 s VAL 17 Cb 0.32 -4.13 0.04 0.00 -1.53 0.00 0.00 36.38 31.09 2kb6 s VAL 17 CO -0.18 0.16 1.87 -0.67 -3.33 0.00 0.00 175.10 172.95 2kb6 n ASP 18 N 4.26 4.44 0.23 3.54 -0.08 -1.26 -4.69 116.55 123.00 2kb6 n ASP 18 Ca 0.02 -2.87 0.06 0.00 -1.51 0.00 0.00 54.79 50.49 2kb6 n ASP 18 Cb 0.50 -1.71 0.53 0.00 2.34 0.00 0.00 41.12 42.79 2kb6 n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kb6 h ASP 20 N 0.00 0.43 0.56 0.00 1.82 -1.93 -0.94 116.42 116.36 2kb6 h ASP 20 Ca -0.00 0.11 -0.28 0.00 -0.39 0.00 0.00 57.03 56.46 2kb6 h ASP 20 Cb 0.30 0.05 -0.05 0.00 0.68 0.00 0.00 39.33 40.31 2kb6 h ASP 20 CO 0.02 0.15 -1.60 0.78 -1.61 0.00 0.00 179.24 176.98 2kb6 h ASN 21 N 0.54 0.02 0.16 2.28 2.35 -1.89 -3.38 115.58 115.65 2kb6 h ASN 21 Ca 0.46 -0.03 -0.04 0.00 -0.55 0.00 0.00 56.30 56.14 2kb6 h ASN 21 Cb 0.70 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.06 2kb6 h ASN 21 CO -0.40 1.03 -0.18 -0.29 -1.65 0.00 0.00 177.43 175.94 2kb6 h ILE 22 N 0.00 1.15 0.00 2.81 2.10 -0.35 -2.79 117.51 120.43 2kb6 h ILE 22 Ca -0.25 -0.69 0.00 0.00 1.08 0.00 0.00 64.86 65.01 2kb6 h ILE 22 Cb 1.98 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 39.03 2kb6 h ILE 22 CO 0.09 0.20 0.00 0.00 -1.08 0.00 0.00 178.15 177.36 2kb6 h MET 23 N 0.05 0.00 -0.00 2.19 -0.00 -1.39 0.21 114.93 115.98 2kb6 h MET 23 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.71 2kb6 h MET 23 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.95 2kb6 h MET 23 CO 0.02 0.00 -0.04 -1.13 -0.00 0.00 0.00 176.91 175.76 2kb6 n SER 24 N -2.42 0.12 -4.80 -0.10 3.41 -1.05 -1.14 113.62 107.64 2kb6 n SER 24 Ca -0.00 -0.20 -0.37 0.00 -0.26 0.00 0.00 58.87 58.04 2kb6 n SER 24 Cb 0.14 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.79 2kb6 n SER 24 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kb6 s THR 25 N -2.59 4.56 -0.49 6.66 2.01 0.06 -4.86 115.64 120.98 2kb6 s THR 25 Ca 0.27 1.36 0.15 0.00 0.31 0.00 0.00 61.69 63.79 2kb6 s THR 25 Cb 0.20 -3.94 0.15 0.00 0.01 0.00 0.00 72.50 68.92 2kb6 s THR 25 CO 0.48 0.37 1.47 -3.20 -0.69 0.00 0.00 174.62 173.04 2kb6 n ASN 26 N 1.16 0.38 0.05 3.53 2.85 -1.26 0.20 115.26 122.18 2kb6 n ASN 26 Ca -0.05 0.67 -0.12 0.00 -0.11 0.00 0.00 54.58 54.97 2kb6 n ASN 26 Cb 0.50 -0.72 -0.06 0.00 1.24 0.00 0.00 39.78 40.74 2kb6 n ASN 26 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 2kb6 h LEU 27 N 0.00 -0.19 0.00 1.20 5.85 -1.91 -3.25 115.31 117.00 2kb6 h LEU 27 Ca 0.00 0.03 -0.31 0.00 0.84 0.00 0.00 57.88 58.44 2kb6 h LEU 27 Cb 0.04 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2kb6 h LEU 27 CO 0.00 -0.10 -2.09 0.49 -0.34 0.00 0.00 178.44 176.40 2kb6 n PHE 28 N -5.19 0.37 -4.04 1.25 3.01 -0.33 -5.02 117.46 107.52 2kb6 n PHE 28 Ca -0.06 0.13 -0.44 0.00 1.01 0.00 0.00 57.45 58.09 2kb6 n PHE 28 Cb 0.11 -1.04 0.02 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 -2.82 -1.47 -3.66 1.38 1.44 0.13 -1.98 115.22 108.24 2kb6 n HIS 29 Ca -0.25 0.15 -0.22 0.00 -2.01 0.00 0.00 57.72 55.40 2kb6 n HIS 29 Cb 1.07 -2.79 0.04 0.00 0.12 0.00 0.00 29.99 28.43 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 -5.85 2.82 -0.08 0.00 0.00 -0.84 -4.88 119.74 110.90 2kb6 s LYS 31 Ca 0.07 0.68 -0.13 0.00 0.00 0.00 0.00 55.97 56.59 2kb6 s LYS 31 Cb -0.02 -2.00 -0.28 0.00 0.00 0.00 0.00 37.83 35.53 2kb6 s LYS 31 CO 0.81 -1.11 0.58 -0.44 0.00 0.00 0.00 175.35 175.19 2kb6 h ASP 32 N -0.72 0.48 -3.81 0.03 3.32 -1.90 -3.43 116.42 110.39 2kb6 h ASP 32 Ca -0.45 -0.90 -0.09 0.00 0.02 0.00 0.00 57.03 55.61 2kb6 h ASP 32 Cb 1.23 -0.16 -0.23 0.00 0.22 0.00 0.00 39.33 40.39 2kb6 h ASP 32 CO 0.61 1.71 -0.14 -1.59 -1.72 0.00 0.00 179.24 178.11 2kb6 s LYS 33 N -2.52 0.57 -0.19 3.56 0.00 -1.25 -0.05 119.74 119.86 2kb6 s LYS 33 Ca -0.19 0.73 -0.04 0.00 0.00 0.00 0.00 55.97 56.47 2kb6 s LYS 33 Cb 0.05 0.25 0.09 0.00 0.00 0.00 0.00 37.83 38.22 2kb6 s LYS 33 CO 0.80 -0.08 0.30 1.21 0.00 0.00 0.00 175.35 177.57 2kb6 s ASN 34 N 0.44 0.55 -0.14 0.03 2.47 -1.25 -5.00 114.94 112.05 2kb6 s ASN 34 Ca -0.01 0.31 -0.20 0.00 0.42 0.00 0.00 52.86 53.37 2kb6 s ASN 34 Cb -0.04 0.79 -0.04 0.00 -1.45 0.00 0.00 41.25 40.51 2kb6 s ASN 34 CO -0.02 -0.28 0.56 -0.89 -3.72 0.00 0.00 177.10 172.76 2kb6 s THR 35 N 2.45 5.11 0.03 -5.21 2.01 -1.26 -3.92 115.64 114.85 2kb6 s THR 35 Ca 0.06 1.10 0.06 0.00 0.31 0.00 0.00 61.69 63.22 2kb6 s THR 35 Cb -0.14 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.45 2kb6 s THR 35 CO -0.12 0.25 -0.16 0.72 -0.69 0.00 0.00 174.62 174.62 2kb6 s PHE 36 N 1.07 2.62 -0.31 4.92 -0.12 -0.88 -4.82 117.98 120.46 2kb6 s PHE 36 Ca 0.29 -0.22 -0.15 0.00 -0.05 0.00 0.00 56.93 56.80 2kb6 s PHE 36 Cb -0.16 -1.50 -0.02 0.00 -0.63 0.00 0.00 43.02 40.71 2kb6 s PHE 36 CO 0.12 0.27 0.35 0.42 -0.05 0.00 0.00 175.22 176.32 2kb6 s ILE 37 N -0.92 5.18 -0.85 -4.49 1.09 0.24 -2.17 121.20 119.28 2kb6 s ILE 37 Ca 0.15 0.24 -0.22 0.00 -1.10 0.00 0.00 60.65 59.72 2kb6 s ILE 37 Cb -0.11 -3.75 0.08 0.00 -1.06 0.00 0.00 42.46 37.63 2kb6 s ILE 37 CO 0.05 0.02 1.17 -0.47 -0.10 0.00 0.00 174.94 175.61 2kb6 s TYR 38 N 2.01 2.77 0.36 3.97 5.04 0.98 -2.25 117.35 130.23 2kb6 s TYR 38 Ca 0.12 -0.87 -0.13 0.00 -2.44 0.00 0.00 57.07 53.74 2kb6 s TYR 38 Cb -0.16 -4.42 0.04 0.00 0.35 0.00 0.00 41.96 37.77 2kb6 s TYR 38 CO 0.11 -1.70 0.70 0.45 -1.34 0.00 0.00 175.55 173.77 2kb6 s SER 39 N 3.96 0.15 0.77 4.32 0.15 -1.23 -4.06 113.70 117.76 2kb6 s SER 39 Ca 0.33 -1.14 -0.11 0.00 0.70 0.00 0.00 55.95 55.73 2kb6 s SER 39 Cb -0.08 0.78 0.06 0.00 -1.71 0.00 0.00 66.02 65.07 2kb6 s SER 39 CO -0.01 -1.54 1.11 -0.13 1.20 0.00 0.00 173.24 173.87 2kb6 s ARG 40 N -2.76 2.18 0.23 5.44 0.52 -1.26 -4.68 118.95 118.62 2kb6 s ARG 40 Ca 0.18 1.29 -0.02 0.00 -0.52 0.00 0.00 55.73 56.67 2kb6 s ARG 40 Cb -0.04 -1.88 0.25 0.00 0.52 0.00 0.00 34.95 33.80 2kb6 s ARG 40 CO 0.13 -1.72 1.63 -1.00 0.02 0.00 0.00 175.30 174.36 2kb6 h PRO 41 N -0.97 0.63 0.39 3.54 0.13 -1.98 -3.33 132.00 130.40 2kb6 h PRO 41 Ca -0.44 -0.27 -0.02 0.00 -0.87 0.00 0.00 66.00 64.39 2kb6 h PRO 41 Cb 1.24 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kb6 h PRO 41 CO 0.50 0.85 -0.19 0.93 -0.23 0.00 0.00 178.00 179.87 2kb6 h GLU 42 N 0.54 -0.50 -0.40 0.86 4.39 -1.99 -1.58 114.58 115.91 2kb6 h GLU 42 Ca 0.07 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.90 2kb6 h GLU 42 Cb 0.79 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 2kb6 h GLU 42 CO 0.06 -0.27 0.28 -1.00 -1.16 0.00 0.00 179.01 176.92 2kb6 h PRO 43 N -0.62 0.05 -0.06 2.33 0.13 -1.98 0.21 132.00 132.05 2kb6 h PRO 43 Ca -0.05 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.02 2kb6 h PRO 43 Cb 0.46 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2kb6 h PRO 43 CO 0.09 0.03 -0.16 0.28 -0.23 0.00 0.00 178.00 178.01 2kb6 h VAL 44 N 0.05 1.43 0.00 1.56 2.07 -1.58 -2.98 116.25 116.79 2kb6 h VAL 44 Ca 0.19 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.18 2kb6 h VAL 44 Cb 0.68 2.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.71 2kb6 h VAL 44 CO -0.01 0.42 -0.06 0.50 0.02 0.00 0.00 177.57 178.44 2kb6 h LYS 45 N -0.28 0.00 0.00 1.57 3.64 -0.53 -2.27 116.57 118.70 2kb6 h LYS 45 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2kb6 h LYS 45 Cb 0.77 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.59 2kb6 h LYS 45 CO 0.04 0.06 -0.05 0.00 -2.27 0.00 0.00 179.45 177.22 2kb6 h ALA 46 N 1.94 1.10 0.00 5.00 0.00 -0.46 -1.00 119.26 125.84 2kb6 h ALA 46 Ca -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2kb6 h ALA 46 Cb 0.11 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kb6 h ALA 46 CO 0.01 0.07 -0.21 0.82 0.00 0.00 0.00 179.25 179.94 2kb6 h ILE 47 N 0.00 0.98 -0.22 0.00 2.04 -1.39 -2.35 117.51 116.57 2kb6 h ILE 47 Ca -0.00 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.11 2kb6 h ILE 47 Cb 0.32 1.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2kb6 h ILE 47 CO 0.01 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.36 2kb6 s LYS 49 N -1.71 4.18 0.00 0.00 2.20 -0.89 -0.95 119.74 122.57 2kb6 s LYS 49 Ca 0.18 2.31 0.00 0.00 -0.36 0.00 0.00 55.97 58.09 2kb6 s LYS 49 Cb 0.09 -3.94 0.00 0.00 -1.51 0.00 0.00 37.83 32.47 2kb6 s LYS 49 CO 0.12 -0.84 0.00 0.41 -0.36 0.00 0.00 175.35 174.68 2kb6 n GLY 50 N 4.19 0.68 3.44 5.54 0.00 -1.26 -5.03 105.19 112.74 2kb6 n GLY 50 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.41 5.15 -0.26 -0.61 -1.09 -0.12 -4.91 121.20 116.95 2kb6 s ILE 51 Ca 0.00 -0.70 -0.12 0.00 -2.23 0.00 0.00 60.65 57.60 2kb6 s ILE 51 Cb 0.00 -4.08 -0.12 0.00 -1.58 0.00 0.00 42.46 36.68 2kb6 s ILE 51 CO 0.00 -0.51 -0.33 0.00 -1.23 0.00 0.00 174.94 172.87 2kb6 n ILE 52 N 5.31 1.44 -1.98 2.92 0.13 -1.26 0.81 119.36 126.74 2kb6 n ILE 52 Ca -0.10 -0.38 -0.29 0.00 -1.10 0.00 0.00 62.75 60.88 2kb6 n ILE 52 Cb 0.46 -1.82 0.06 0.00 -0.84 0.00 0.00 39.64 37.50 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 -2.48 2.88 -0.61 1.51 0.00 -1.26 -0.10 121.76 121.69 2kb6 s ALA 53 Ca -0.37 -0.56 -0.28 0.00 0.00 0.00 0.00 51.96 50.75 2kb6 s ALA 53 Cb 0.14 -2.90 0.02 0.00 0.00 0.00 0.00 23.12 20.37 2kb6 s ALA 53 CO 0.47 -1.32 1.35 -1.12 0.00 0.00 0.00 175.76 175.14 2kb6 s SER 54 N -4.45 6.16 -0.03 0.00 0.01 -1.25 -4.24 113.70 109.90 2kb6 s SER 54 Ca 0.59 0.06 -0.09 0.00 1.31 0.00 0.00 55.95 57.82 2kb6 s SER 54 Cb -0.11 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.58 2kb6 s SER 54 CO 0.49 -1.73 0.20 -1.59 0.41 0.00 0.00 173.24 171.03 2kb6 s LYS 55 N 5.52 0.45 0.07 12.44 0.00 -1.12 -4.98 119.74 132.13 2kb6 s LYS 55 Ca 0.47 -0.13 -0.30 0.00 0.00 0.00 0.00 55.97 56.00 2kb6 s LYS 55 Cb -0.09 0.20 -0.06 0.00 0.00 0.00 0.00 37.83 37.88 2kb6 s LYS 55 CO 0.22 -0.10 1.15 1.21 0.00 0.00 0.00 175.35 177.83 2kb6 s ASN 56 N -0.90 7.15 -0.07 0.03 2.47 -1.26 -2.55 114.94 119.80 2kb6 s ASN 56 Ca -0.10 1.98 0.05 0.00 0.42 0.00 0.00 52.86 55.21 2kb6 s ASN 56 Cb -0.05 -2.58 -0.00 0.00 -1.45 0.00 0.00 41.25 37.16 2kb6 s ASN 56 CO 0.02 -0.40 -0.23 -0.69 -3.72 0.00 0.00 177.10 172.08 2kb6 s VAL 57 N 0.83 1.92 -0.21 -5.21 1.01 0.27 -4.95 120.40 114.06 2kb6 s VAL 57 Ca 0.56 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 2kb6 s VAL 57 Cb -0.28 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2kb6 s VAL 57 CO 0.30 0.53 0.32 -0.76 0.00 0.00 0.00 175.10 175.49 2kb6 s LEU 58 N 0.13 4.14 0.23 3.92 1.43 -1.26 -0.93 118.68 126.34 2kb6 s LEU 58 Ca -0.11 0.37 -0.31 0.00 -1.03 0.00 0.00 54.13 53.06 2kb6 s LEU 58 Cb -0.15 -2.37 -0.15 0.00 0.03 0.00 0.00 46.19 43.55 2kb6 s LEU 58 CO 0.06 -0.03 1.17 0.41 0.23 0.00 0.00 176.35 178.19 2kb6 n THR 59 N 4.32 1.29 0.31 5.49 -1.04 0.19 -4.89 114.28 119.94 2kb6 n THR 59 Ca -0.11 -0.32 0.12 0.00 -2.04 0.00 0.00 64.05 61.70 2kb6 n THR 59 Cb 0.51 -1.04 0.08 0.00 -1.82 0.00 0.00 70.33 68.06 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 2.52 0.00 -1.14 12.58 2.02 -1.97 -3.42 112.91 123.51 2kb6 h THR 60 Ca -0.42 -0.79 -0.53 0.00 0.77 0.00 0.00 66.41 65.44 2kb6 h THR 60 Cb 1.33 1.35 -0.04 0.00 -1.74 0.00 0.00 68.15 69.04 2kb6 h THR 60 CO 0.68 0.00 -0.34 -0.55 0.37 0.00 0.00 175.52 175.68 2kb6 s SER 61 N -4.94 4.83 -0.24 4.18 0.15 -1.26 -5.04 113.70 111.39 2kb6 s SER 61 Ca 0.03 -0.97 -0.01 0.00 0.70 0.00 0.00 55.95 55.70 2kb6 s SER 61 Cb 0.11 -0.15 0.02 0.00 -1.71 0.00 0.00 66.02 64.29 2kb6 s SER 61 CO 0.76 -0.85 -0.08 -1.61 1.20 0.00 0.00 173.24 172.65 2kb6 s GLU 62 N -4.20 2.90 0.39 5.44 2.02 -1.26 -3.75 118.70 120.25 2kb6 s GLU 62 Ca 0.43 -0.93 0.08 0.00 0.02 0.00 0.00 54.97 54.57 2kb6 s GLU 62 Cb -0.02 -2.93 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 2kb6 s GLU 62 CO 0.26 -0.35 0.40 -0.06 0.02 0.00 0.00 175.26 175.52 2kb6 s PHE 63 N 1.33 2.79 -0.61 1.61 0.40 0.38 -4.58 117.98 119.31 2kb6 s PHE 63 Ca 0.01 -0.42 -0.28 0.00 -0.60 0.00 0.00 56.93 55.64 2kb6 s PHE 63 Cb -0.16 -2.11 0.03 0.00 0.51 0.00 0.00 43.02 41.28 2kb6 s PHE 63 CO -0.06 -0.10 1.26 0.71 0.70 0.00 0.00 175.22 177.74 2kb6 s TYR 64 N -2.40 2.46 -0.19 0.36 2.02 -1.26 -0.98 117.35 117.36 2kb6 s TYR 64 Ca 0.47 0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 57.50 2kb6 s TYR 64 Cb -0.05 -4.51 -0.00 0.00 -0.40 0.00 0.00 41.96 36.99 2kb6 s TYR 64 CO 0.29 -1.77 -0.10 -0.51 -1.57 0.00 0.00 175.55 171.88 2kb6 s LEU 65 N 5.38 2.69 -0.14 -1.29 1.43 0.32 -0.01 118.68 127.06 2kb6 s LEU 65 Ca 0.44 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.11 2kb6 s LEU 65 Cb -0.08 -1.65 -0.00 0.00 0.03 0.00 0.00 46.19 44.48 2kb6 s LEU 65 CO 0.23 0.03 -0.16 -0.44 0.23 0.00 0.00 176.35 176.24 2kb6 s SER 66 N 1.17 3.65 0.12 2.29 0.01 -0.92 -0.46 113.70 119.55 2kb6 s SER 66 Ca 0.02 -0.46 0.09 0.00 1.31 0.00 0.00 55.95 56.90 2kb6 s SER 66 Cb -0.14 -1.55 -0.04 0.00 0.21 0.00 0.00 66.02 64.50 2kb6 s SER 66 CO -0.03 0.11 -0.21 -0.62 0.41 0.00 0.00 173.24 172.90 2kb6 s ASP 67 N 0.68 2.65 -0.36 2.44 -1.08 0.38 -2.07 116.67 119.32 2kb6 s ASP 67 Ca -0.08 -0.74 0.00 0.00 -0.52 0.00 0.00 52.55 51.21 2kb6 s ASP 67 Cb -0.16 -0.15 0.10 0.00 -1.46 0.00 0.00 42.92 41.25 2kb6 s ASP 67 CO 0.02 0.04 0.10 0.00 0.52 0.00 0.00 175.17 175.85 2kb6 s ASN 69 N 1.37 6.25 0.31 0.00 0.02 -1.25 -3.78 114.94 117.85 2kb6 s ASN 69 Ca 0.06 0.28 -0.30 0.00 -1.02 0.00 0.00 52.86 51.89 2kb6 s ASN 69 Cb -0.21 -2.16 -0.12 0.00 0.02 0.00 0.00 41.25 38.78 2kb6 s ASN 69 CO -0.05 -0.01 1.56 0.55 0.02 0.00 0.00 177.10 179.17 2kb6 n VAL 70 N 4.38 1.24 -0.98 1.60 3.14 0.93 -3.31 118.33 125.32 2kb6 n VAL 70 Ca -0.12 -0.31 0.00 0.00 -2.96 0.00 0.00 64.34 60.95 2kb6 n VAL 70 Cb 0.52 -1.94 0.00 0.00 -1.06 0.00 0.00 33.84 31.35 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 1.76 0.00 -0.09 1.55 -2.24 -0.56 -4.97 114.28 109.72 2kb6 n THR 71 Ca 0.07 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.87 2kb6 n THR 71 Cb 0.37 0.00 0.32 0.00 -2.10 0.00 0.00 70.33 68.92 2kb6 n THR 71 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2kb6 h SER 72 N 0.00 0.64 -3.57 3.42 0.87 -1.95 -3.38 113.55 109.59 2kb6 h SER 72 Ca 0.00 -0.04 -0.62 0.00 -1.23 0.00 0.00 61.79 59.90 2kb6 h SER 72 Cb 0.00 -0.16 -0.12 0.00 -0.44 0.00 0.00 62.40 61.67 2kb6 h SER 72 CO 0.00 0.51 0.30 -0.13 -0.53 0.00 0.00 176.83 176.98 2kb6 s ARG 73 N -5.52 3.61 0.30 2.24 0.52 -1.26 -5.02 118.95 113.81 2kb6 s ARG 73 Ca -0.09 0.09 -0.29 0.00 -0.52 0.00 0.00 55.73 54.92 2kb6 s ARG 73 Cb 0.17 -3.85 -0.13 0.00 0.52 0.00 0.00 34.95 31.66 2kb6 s ARG 73 CO 0.76 -0.90 1.32 -2.30 0.02 0.00 0.00 175.30 174.20 2kb6 n PRO 74 N 6.40 2.07 -0.70 3.54 -0.02 -1.26 -1.15 135.00 143.87 2kb6 n PRO 74 Ca 0.01 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2kb6 n PRO 74 Cb 0.48 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.69 2.20 0.36 0.00 -0.14 -0.30 -4.95 119.74 116.22 2kb6 s LYS 76 Ca 0.00 -0.89 0.06 0.00 -1.36 0.00 0.00 55.97 53.78 2kb6 s LYS 76 Cb 0.00 -2.20 -0.03 0.00 -1.68 0.00 0.00 37.83 33.92 2kb6 s LYS 76 CO 0.00 0.57 0.22 0.71 -0.76 0.00 0.00 175.35 176.09 2kb6 s TYR 77 N -0.79 1.76 -0.15 3.18 1.51 -1.26 -1.50 117.35 120.09 2kb6 s TYR 77 Ca 0.12 -1.53 0.02 0.00 -1.01 0.00 0.00 57.07 54.67 2kb6 s TYR 77 Cb -0.10 -0.88 0.02 0.00 -0.11 0.00 0.00 41.96 40.88 2kb6 s TYR 77 CO 0.02 -0.66 -0.19 0.15 -1.11 0.00 0.00 175.55 173.76 2kb6 s LYS 78 N -3.55 2.81 0.11 -0.62 -0.14 -1.21 -4.93 119.74 112.21 2kb6 s LYS 78 Ca 0.34 -0.77 -0.31 0.00 -1.36 0.00 0.00 55.97 53.87 2kb6 s LYS 78 Cb 0.02 -2.37 -0.09 0.00 -1.68 0.00 0.00 37.83 33.71 2kb6 s LYS 78 CO 0.22 -0.12 1.55 -1.17 -0.76 0.00 0.00 175.35 175.08 2kb6 s LEU 79 N 1.10 4.36 -0.39 3.17 0.20 -1.26 -3.95 118.68 121.91 2kb6 s LEU 79 Ca -0.01 2.48 -0.07 0.00 0.69 0.00 0.00 54.13 57.22 2kb6 s LEU 79 Cb -0.14 -3.58 0.07 0.00 -0.43 0.00 0.00 46.19 42.11 2kb6 s LEU 79 CO -0.07 -0.81 0.19 -0.75 -0.29 0.00 0.00 176.35 174.62 2kb6 s LYS 80 N 1.77 2.47 -0.29 1.98 2.20 0.74 -4.99 119.74 123.62 2kb6 s LYS 80 Ca 0.70 -1.45 -0.10 0.00 -0.36 0.00 0.00 55.97 54.76 2kb6 s LYS 80 Cb -0.40 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.28 2kb6 s LYS 80 CO 0.31 -0.88 0.16 0.15 -0.36 0.00 0.00 175.35 174.73 2kb6 s LYS 81 N 1.35 3.62 0.27 4.03 1.02 -1.26 -0.47 119.74 128.29 2kb6 s LYS 81 Ca 0.02 -0.53 0.03 0.00 0.02 0.00 0.00 55.97 55.51 2kb6 s LYS 81 Cb -0.22 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 2kb6 s LYS 81 CO 0.01 -0.30 0.22 -1.12 -0.92 0.00 0.00 175.35 173.23 2kb6 s SER 82 N 1.68 0.99 -0.25 2.83 0.01 0.39 -5.01 113.70 114.33 2kb6 s SER 82 Ca 0.06 -1.59 -0.04 0.00 1.31 0.00 0.00 55.95 55.69 2kb6 s SER 82 Cb -0.16 0.48 0.09 0.00 0.21 0.00 0.00 66.02 66.63 2kb6 s SER 82 CO 0.08 -0.97 0.12 -0.89 0.41 0.00 0.00 173.24 171.99 2kb6 s THR 83 N -3.76 -0.08 0.27 1.44 2.01 -1.26 -0.52 115.64 113.74 2kb6 s THR 83 Ca 0.40 -0.55 -0.06 0.00 0.31 0.00 0.00 61.69 61.78 2kb6 s THR 83 Cb 0.04 -0.84 0.03 0.00 0.01 0.00 0.00 72.50 71.74 2kb6 s THR 83 CO 0.21 -0.57 0.46 -0.46 -0.69 0.00 0.00 174.62 173.57 2kb6 n ASN 84 N 5.26 -1.33 -4.86 3.53 6.94 -0.16 -4.72 115.26 119.92 2kb6 n ASN 84 Ca -0.06 -2.25 -0.31 0.00 -0.02 0.00 0.00 54.58 51.94 2kb6 n ASN 84 Cb 0.44 2.31 -0.04 0.00 -2.36 0.00 0.00 39.78 40.13 2kb6 n ASN 84 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2kb6 s LYS 85 N -2.31 3.87 0.23 -3.83 0.00 -1.25 -0.47 119.74 115.99 2kb6 s LYS 85 Ca 0.16 0.57 0.01 0.00 0.00 0.00 0.00 55.97 56.70 2kb6 s LYS 85 Cb -0.02 -2.40 -0.05 0.00 0.00 0.00 0.00 37.83 35.37 2kb6 s LYS 85 CO 0.12 0.03 0.10 -0.59 0.00 0.00 0.00 175.35 175.00 2kb6 s PHE 86 N -2.23 1.38 -0.14 1.78 -0.71 -1.26 -1.34 117.98 115.45 2kb6 s PHE 86 Ca 0.53 -1.22 0.02 0.00 -1.04 0.00 0.00 56.93 55.21 2kb6 s PHE 86 Cb -0.10 -0.77 0.01 0.00 -1.21 0.00 0.00 43.02 40.95 2kb6 s PHE 86 CO 0.26 -0.42 -0.21 0.00 -1.34 0.00 0.00 175.22 173.52 2kb6 s ALA 87 N -3.87 2.19 0.02 1.99 0.00 -0.14 0.54 121.76 122.49 2kb6 s ALA 87 Ca 0.37 -1.07 0.05 0.00 0.00 0.00 0.00 51.96 51.30 2kb6 s ALA 87 Cb 0.07 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 2kb6 s ALA 87 CO 0.12 -0.10 -0.15 0.14 0.00 0.00 0.00 175.76 175.78 2kb6 s VAL 88 N 0.93 1.16 -0.16 0.00 -7.23 -0.10 -1.59 120.40 113.40 2kb6 s VAL 88 Ca -0.05 -0.89 -0.23 0.00 -1.81 0.00 0.00 61.98 59.01 2kb6 s VAL 88 Cb -0.15 -1.02 -0.03 0.00 0.56 0.00 0.00 36.38 35.75 2kb6 s VAL 88 CO -0.04 0.12 0.70 -0.89 -0.31 0.00 0.00 175.10 174.68 2kb6 s THR 89 N -0.67 4.99 0.04 5.32 2.01 0.60 -0.56 115.64 127.37 2kb6 s THR 89 Ca 0.03 1.36 0.09 0.00 0.31 0.00 0.00 61.69 63.48 2kb6 s THR 89 Cb -0.07 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 2kb6 s THR 89 CO 0.01 0.12 -0.25 0.00 -0.69 0.00 0.00 174.62 173.81 2kb6 s GLU 91 N -1.20 0.03 -1.61 0.00 2.12 -0.71 -2.77 118.70 114.56 2kb6 s GLU 91 Ca 0.11 -0.00 -0.01 0.00 0.36 0.00 0.00 54.97 55.43 2kb6 s GLU 91 Cb -0.10 -0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.25 2kb6 s GLU 91 CO 0.02 -0.00 0.07 0.09 -0.54 0.00 0.00 175.26 174.90 2kb6 n ASN 92 N 3.13 -5.53 -3.68 -1.70 5.03 0.85 -2.14 115.26 111.21 2kb6 n ASN 92 Ca -0.13 -0.05 -0.25 0.00 0.87 0.00 0.00 54.58 55.02 2kb6 n ASN 92 Cb 0.59 -4.55 0.06 0.00 -1.02 0.00 0.00 39.78 34.86 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 -2.95 -7.04 -3.73 3.52 6.02 0.24 -4.97 117.38 108.47 2kb6 n GLN 93 Ca -0.21 0.75 -0.17 0.00 -0.01 0.00 0.00 57.00 57.36 2kb6 n GLN 93 Cb 0.66 -5.74 -0.17 0.00 1.02 0.00 0.00 30.24 26.02 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 0.11 -0.43 -1.58 0.00 -0.91 -4.74 121.76 110.87 2kb6 s ALA 94 Ca 0.54 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 52.51 2kb6 s ALA 94 Cb -0.25 -0.40 0.00 0.00 0.00 0.00 0.00 23.12 22.47 2kb6 s ALA 94 CO 0.76 -0.26 1.50 -1.25 0.00 0.00 0.00 175.76 176.51 2kb6 s PRO 95 N 1.50 3.45 0.00 0.00 0.04 -1.26 -1.74 135.00 136.99 2kb6 s PRO 95 Ca -0.04 0.94 0.05 0.00 0.04 0.00 0.00 61.00 61.98 2kb6 s PRO 95 Cb -0.13 -4.08 0.10 0.00 0.04 0.00 0.00 34.50 30.43 2kb6 s PRO 95 CO -0.03 -1.72 0.97 1.33 0.04 0.00 0.00 177.00 177.59 2kb6 n VAL 96 N 7.12 0.71 -3.72 -0.36 0.24 -0.47 -4.12 118.33 117.72 2kb6 n VAL 96 Ca 0.17 -0.86 -0.14 0.00 -2.04 0.00 0.00 64.34 61.48 2kb6 n VAL 96 Cb 0.48 0.67 -0.09 0.00 -1.47 0.00 0.00 33.84 33.43 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 -0.82 -0.39 -0.15 6.34 5.65 -1.11 -3.50 115.29 121.31 2kb6 s HIS 97 Ca 0.08 0.85 -0.00 0.00 0.25 0.00 0.00 55.06 56.24 2kb6 s HIS 97 Cb 0.05 0.16 -0.01 0.00 -1.18 0.00 0.00 32.58 31.60 2kb6 s HIS 97 CO 0.06 -0.30 -0.14 0.12 -0.65 0.00 0.00 174.74 173.83 2kb6 s PHE 98 N -0.38 2.80 -0.26 3.88 5.36 -1.26 -0.29 117.98 127.83 2kb6 s PHE 98 Ca -0.05 -0.85 -0.11 0.00 -0.96 0.00 0.00 56.93 54.96 2kb6 s PHE 98 Cb -0.03 -1.88 -0.15 0.00 -0.34 0.00 0.00 43.02 40.62 2kb6 s PHE 98 CO 0.02 -0.36 -0.24 0.28 -1.46 0.00 0.00 175.22 173.47 2kb6 n VAL 99 N 3.86 1.53 0.00 3.12 0.31 -0.62 -4.93 118.33 121.60 2kb6 n VAL 99 Ca -0.19 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 2kb6 n VAL 99 Cb 0.52 -1.78 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 1.54 3.81 3.94 2.92 0.00 -1.08 -5.02 105.19 111.31 2kb6 n GLY 100 Ca -0.49 -0.80 -0.25 0.00 0.00 0.00 0.00 46.02 44.48 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 2.84 0.00 1.61 -7.23 -1.26 -0.96 120.40 113.39 2kb6 s VAL 101 Ca 0.00 -0.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.84 2kb6 s VAL 101 Cb 0.00 -3.15 0.00 0.00 0.56 0.00 0.00 36.38 33.79 2kb6 s VAL 101 CO 0.00 -0.14 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 2kb6 n GLY 102 N -2.62 2.07 3.26 2.32 0.00 -0.45 -4.87 105.19 104.90 2kb6 n GLY 102 Ca 0.07 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.51 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 0.00 -0.17 0.00 1.61 0.15 -1.26 -4.86 113.70 109.17 2kb6 s SER 103 Ca 0.00 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.56 2kb6 s SER 103 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 2kb6 s SER 103 CO 0.00 -0.59 0.00 0.00 1.20 0.00 0.00 173.24 173.85