#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvz s GLN 2 N 0.00 0.69 0.29 3.17 -2.07 -1.26 -4.96 119.66 115.53 1kvz s GLN 2 Ca 0.00 -1.21 0.04 0.00 -1.82 0.00 0.00 55.36 52.38 1kvz s GLN 2 Cb 0.00 -0.93 -0.02 0.00 -1.09 0.00 0.00 33.01 30.97 1kvz s GLN 2 CO 0.00 -1.24 0.29 -0.25 -1.32 0.00 0.00 175.29 172.77 1kvz n ASP 3 N 3.86 -0.76 -0.35 12.60 9.92 -1.26 -4.87 116.55 135.68 1kvz n ASP 3 Ca 0.15 -2.81 0.09 0.00 -0.53 0.00 0.00 54.79 51.69 1kvz n ASP 3 Cb 0.44 1.64 0.26 0.00 -0.64 0.00 0.00 41.12 42.82 1kvz n ASP 3 CO 0.00 0.00 0.00 -0.25 0.13 0.00 0.00 177.20 177.08 1kvz h TRP 4 N 1.90 1.10 -0.56 1.24 -0.00 -1.92 -0.90 115.95 116.82 1kvz h TRP 4 Ca -0.21 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.73 1kvz h TRP 4 Cb 1.02 -0.34 -0.03 0.00 -0.00 0.00 0.00 29.16 29.81 1kvz h TRP 4 CO 0.00 0.36 0.36 0.00 -0.00 0.00 0.00 178.44 179.16 1kvz h ALA 5 N 1.58 0.72 -0.47 2.65 0.00 -1.96 0.30 119.26 122.07 1kvz h ALA 5 Ca 0.52 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 1kvz h ALA 5 Cb 0.64 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1kvz h ALA 5 CO -0.31 0.12 0.15 1.15 0.00 0.00 0.00 179.25 180.36 1kvz h THR 6 N 0.73 1.22 0.00 0.00 2.02 -1.58 -1.64 112.91 113.66 1kvz h THR 6 Ca 0.21 -0.74 -0.02 0.00 0.77 0.00 0.00 66.41 66.64 1kvz h THR 6 Cb -0.05 0.81 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1kvz h THR 6 CO -0.06 0.27 -0.07 0.15 0.37 0.00 0.00 175.52 176.17 1kvz h PHE 7 N 0.63 0.00 -0.05 3.16 3.57 -0.72 0.14 116.94 123.67 1kvz h PHE 7 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1kvz h PHE 7 Cb 0.26 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.00 1kvz h PHE 7 CO 0.01 0.07 0.00 -0.22 -2.23 0.00 0.00 178.31 175.95 1kvz h LYS 8 N 0.00 0.09 0.00 1.11 1.63 0.04 0.22 116.57 119.66 1kvz h LYS 8 Ca -0.00 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.68 1kvz h LYS 8 Cb 0.19 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1kvz h LYS 8 CO 0.01 0.35 -0.47 0.87 -3.45 0.00 0.00 179.45 176.76 1kvz h LYS 9 N -0.18 0.00 0.03 1.90 1.57 -1.28 -1.93 116.57 116.68 1kvz h LYS 9 Ca 0.02 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 1kvz h LYS 9 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1kvz h LYS 9 CO 0.00 0.47 -0.51 0.87 -0.57 0.00 0.00 179.45 179.71 1kvz h LYS 10 N 0.00 0.05 -0.00 3.15 1.79 -0.63 -3.42 116.57 117.52 1kvz h LYS 10 Ca -0.00 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1kvz h LYS 10 Cb 1.33 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 32.01 1kvz h LYS 10 CO 0.06 1.04 0.00 0.72 -1.08 0.00 0.00 179.45 180.19 1kvz n HIS 11 N -4.46 0.00 -4.62 -1.35 8.25 0.76 -3.76 115.22 110.05 1kvz n HIS 11 Ca -0.17 -0.01 -0.33 0.00 -0.26 0.00 0.00 57.72 56.95 1kvz n HIS 11 Cb 0.60 -0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.55 1kvz n HIS 11 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1kvz s LEU 12 N -0.10 2.38 0.15 2.41 1.43 -0.72 -1.35 118.68 122.87 1kvz s LEU 12 Ca 0.01 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 1kvz s LEU 12 Cb 0.01 -1.53 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1kvz s LEU 12 CO 0.01 0.09 -0.11 0.42 0.23 0.00 0.00 176.35 177.00 1kvz s THR 13 N 0.76 1.21 -0.24 5.49 -4.23 -1.00 -4.42 115.64 113.21 1kvz s THR 13 Ca -0.07 -2.03 0.13 0.00 -1.18 0.00 0.00 61.69 58.53 1kvz s THR 13 Cb -0.16 -1.82 0.49 0.00 1.34 0.00 0.00 72.50 72.35 1kvz s THR 13 CO 0.00 -0.71 1.41 0.47 -0.54 0.00 0.00 174.62 175.26 1kvz n ASP 14 N -0.13 2.90 -3.64 3.99 9.92 -1.26 -4.37 116.55 123.96 1kvz n ASP 14 Ca -0.11 -3.46 -0.03 0.00 -0.53 0.00 0.00 54.79 50.66 1kvz n ASP 14 Cb 0.60 -0.58 -0.06 0.00 -0.64 0.00 0.00 41.12 40.44 1kvz n ASP 14 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1kvz s THR 15 N -3.07 0.00 0.26 -3.53 -1.32 -1.26 -5.03 115.64 101.68 1kvz s THR 15 Ca 0.42 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.94 1kvz s THR 15 Cb 0.37 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.37 1kvz s THR 15 CO 0.03 0.00 1.64 -0.25 -2.21 0.00 0.00 174.62 173.82 1kvz h TRP 16 N 2.72 0.43 -3.59 9.09 2.91 -1.98 -3.40 115.95 122.13 1kvz h TRP 16 Ca -0.19 -0.13 -0.65 0.00 1.13 0.00 0.00 58.89 59.06 1kvz h TRP 16 Cb 1.19 -0.09 -0.15 0.00 -0.51 0.00 0.00 29.16 29.60 1kvz h TRP 16 CO 0.22 0.74 0.11 -0.51 -1.03 0.00 0.00 178.44 177.97 1kvz s ASP 17 N -6.87 6.35 0.30 2.65 1.01 -1.26 -4.78 116.67 114.07 1kvz s ASP 17 Ca -0.05 -0.16 0.10 0.00 0.71 0.00 0.00 52.55 53.14 1kvz s ASP 17 Cb 0.13 -2.32 -0.05 0.00 1.01 0.00 0.00 42.92 41.69 1kvz s ASP 17 CO 0.80 -0.69 -0.04 -0.69 0.21 0.00 0.00 175.17 174.76 1kvz s VAL 18 N 2.74 2.91 -0.35 -1.27 1.01 -1.26 -5.08 120.40 119.09 1kvz s VAL 18 Ca 0.23 -2.04 -0.01 0.00 0.00 0.00 0.00 61.98 60.15 1kvz s VAL 18 Cb -0.14 -2.71 0.08 0.00 0.00 0.00 0.00 36.38 33.61 1kvz s VAL 18 CO 0.17 -0.31 0.09 -1.81 0.00 0.00 0.00 175.10 173.24 1kvz s ASP 19 N -3.66 5.01 0.03 3.32 1.11 -1.26 -4.93 116.67 116.29 1kvz s ASP 19 Ca 0.33 -1.71 -0.25 0.00 0.18 0.00 0.00 52.55 51.10 1kvz s ASP 19 Cb -0.04 -1.74 -0.18 0.00 1.07 0.00 0.00 42.92 42.03 1kvz s ASP 19 CO 0.19 -0.39 1.47 0.00 1.18 0.00 0.00 175.17 177.62 1kvz h ASP 21 N -0.32 0.00 0.00 0.00 2.03 -1.94 0.43 116.42 116.63 1kvz h ASP 21 Ca -0.01 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.15 1kvz h ASP 21 Cb 0.29 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 38.80 1kvz h ASP 21 CO 0.01 0.00 -0.57 -1.13 -1.03 0.00 0.00 179.24 176.52 1kvz h ASN 22 N 0.00 0.50 -0.53 4.15 -1.24 -1.92 -3.26 115.58 113.27 1kvz h ASN 22 Ca 0.28 -0.77 0.00 0.00 0.71 0.00 0.00 56.30 56.52 1kvz h ASN 22 Cb 1.42 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1kvz h ASN 22 CO -0.00 1.20 0.00 0.18 -1.29 0.00 0.00 177.43 177.52 1kvz n LEU 23 N -4.25 5.26 -0.06 0.34 7.99 0.09 -4.50 117.00 121.86 1kvz n LEU 23 Ca -0.10 -2.67 -0.12 0.00 -0.01 0.00 0.00 56.01 53.11 1kvz n LEU 23 Cb 0.66 -0.66 -0.11 0.00 -0.11 0.00 0.00 43.42 43.20 1kvz n LEU 23 CO 0.46 0.60 0.34 -0.03 -1.51 0.00 0.00 177.39 177.25 1kvz h MET 24 N 3.65 -0.00 -0.92 3.23 1.85 -0.31 -3.35 114.93 119.08 1kvz h MET 24 Ca 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1kvz h MET 24 Cb 1.82 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.85 1kvz h MET 24 CO 0.43 0.82 0.00 -0.35 -0.40 0.00 0.00 176.91 177.42 1kvz n PRO 25 N -4.65 1.72 -1.88 0.39 -0.04 -1.26 -0.56 135.00 128.71 1kvz n PRO 25 Ca -0.08 -0.59 -0.27 0.00 -0.04 0.00 0.00 63.50 62.52 1kvz n PRO 25 Cb 0.40 -1.63 0.19 0.00 -0.04 0.00 0.00 33.50 32.41 1kvz n PRO 25 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1kvz n THR 26 N 0.12 0.00 0.03 0.52 -1.04 -1.26 -4.75 114.28 107.90 1kvz n THR 26 Ca 0.05 -1.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.00 1kvz n THR 26 Cb 0.43 -1.46 -0.12 0.00 -1.82 0.00 0.00 70.33 67.37 1kvz n THR 26 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1kvz h SER 27 N -1.53 0.00 -0.02 8.00 0.87 -1.92 0.70 113.55 119.64 1kvz h SER 27 Ca -0.40 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 59.98 1kvz h SER 27 Cb 1.13 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.10 1kvz h SER 27 CO 0.29 0.94 -0.71 0.25 -0.53 0.00 0.00 176.83 177.08 1kvz h LEU 28 N 0.00 0.66 0.09 2.23 5.85 -1.94 -3.32 115.31 118.88 1kvz h LEU 28 Ca -0.12 -0.74 -0.17 0.00 0.84 0.00 0.00 57.88 57.70 1kvz h LEU 28 Cb 1.82 -0.20 0.01 0.00 0.37 0.00 0.00 40.66 42.66 1kvz h LEU 28 CO 0.10 1.30 -0.80 -0.26 -0.34 0.00 0.00 178.44 178.45 1kvz h PHE 29 N 0.07 0.36 -6.14 1.25 -1.00 -1.78 -3.47 116.94 106.23 1kvz h PHE 29 Ca -0.08 -0.26 -0.44 0.00 2.81 0.00 0.00 57.97 59.99 1kvz h PHE 29 Cb 1.40 -0.01 -0.17 0.00 3.61 0.00 0.00 35.95 40.78 1kvz h PHE 29 CO 0.13 1.31 -0.66 -3.47 -1.61 0.00 0.00 178.31 174.01 1kvz n ASP 30 N -4.21 -3.07 -3.33 2.17 -0.08 0.24 0.12 116.55 108.39 1kvz n ASP 30 Ca -0.17 -0.66 -0.23 0.00 -1.51 0.00 0.00 54.79 52.22 1kvz n ASP 30 Cb 0.75 -2.56 0.07 0.00 2.34 0.00 0.00 41.12 41.72 1kvz n ASP 30 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1kvz n LYS 32 N -4.60 -2.11 0.00 0.00 4.76 0.33 -5.01 118.16 111.53 1kvz n LYS 32 Ca -0.02 -0.60 0.00 0.00 -2.87 0.00 0.00 58.31 54.82 1kvz n LYS 32 Cb 0.57 -0.61 0.00 0.00 -1.84 0.00 0.00 35.03 33.15 1kvz n LYS 32 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1kvz n ASP 33 N -3.76 0.00 -4.13 4.39 9.92 -1.26 -4.84 116.55 116.86 1kvz n ASP 33 Ca 0.05 0.33 -0.11 0.00 -0.53 0.00 0.00 54.79 54.53 1kvz n ASP 33 Cb 0.21 -0.36 -0.10 0.00 -0.64 0.00 0.00 41.12 40.22 1kvz n ASP 33 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1kvz s LYS 34 N -0.73 0.73 -0.20 -1.24 1.02 -1.26 -1.98 119.74 116.08 1kvz s LYS 34 Ca 0.00 -1.16 -0.05 0.00 0.02 0.00 0.00 55.97 54.78 1kvz s LYS 34 Cb 0.00 -0.21 0.10 0.00 -0.52 0.00 0.00 37.83 37.20 1kvz s LYS 34 CO 0.00 -0.00 0.37 -0.80 -0.92 0.00 0.00 175.35 174.00 1kvz s ASN 35 N -2.61 0.08 -0.21 2.83 -0.87 -0.92 -4.97 114.94 108.27 1kvz s ASN 35 Ca 0.05 0.62 -0.11 0.00 -1.57 0.00 0.00 52.86 51.85 1kvz s ASN 35 Cb 0.01 1.12 -0.05 0.00 -0.02 0.00 0.00 41.25 42.31 1kvz s ASN 35 CO -0.03 -0.26 0.17 -0.89 -2.57 0.00 0.00 177.10 173.52 1kvz s THR 36 N 2.55 5.37 0.42 1.60 2.01 -1.26 -0.26 115.64 126.06 1kvz s THR 36 Ca 0.04 0.25 0.08 0.00 0.31 0.00 0.00 61.69 62.36 1kvz s THR 36 Cb -0.13 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 68.86 1kvz s THR 36 CO -0.13 0.39 0.45 -0.36 -0.69 0.00 0.00 174.62 174.28 1kvz s PHE 37 N 0.67 2.72 0.01 4.92 0.08 0.42 -4.26 117.98 122.54 1kvz s PHE 37 Ca 0.09 -0.47 0.06 0.00 0.12 0.00 0.00 56.93 56.73 1kvz s PHE 37 Cb -0.12 -2.24 -0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1kvz s PHE 37 CO 0.01 -0.24 -0.18 0.42 -0.10 0.00 0.00 175.22 175.13 1kvz s ILE 38 N -2.44 1.46 -0.77 0.64 -1.09 -0.46 -2.31 121.20 116.24 1kvz s ILE 38 Ca 0.50 -0.94 -0.17 0.00 -2.23 0.00 0.00 60.65 57.82 1kvz s ILE 38 Cb -0.05 -1.25 0.16 0.00 -1.58 0.00 0.00 42.46 39.74 1kvz s ILE 38 CO 0.30 0.29 0.81 -0.47 -1.23 0.00 0.00 174.94 174.64 1kvz s TYR 39 N -0.60 3.37 0.06 3.97 5.04 -0.65 -2.38 117.35 126.16 1kvz s TYR 39 Ca 0.06 -1.52 -0.27 0.00 -2.44 0.00 0.00 57.07 52.90 1kvz s TYR 39 Cb -0.08 -3.98 0.09 0.00 0.35 0.00 0.00 41.96 38.35 1kvz s TYR 39 CO 0.00 -1.19 1.16 0.45 -1.34 0.00 0.00 175.55 174.64 1kvz s SER 40 N 3.02 -0.06 0.41 4.32 0.15 -1.26 -4.50 113.70 115.77 1kvz s SER 40 Ca 0.18 -0.31 0.02 0.00 0.70 0.00 0.00 55.95 56.54 1kvz s SER 40 Cb -0.14 0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.46 1kvz s SER 40 CO -0.04 -0.57 0.60 -0.76 1.20 0.00 0.00 173.24 173.67 1kvz s LEU 41 N -3.20 3.78 0.30 3.45 1.02 -1.26 -4.63 118.68 118.14 1kvz s LEU 41 Ca 0.18 0.19 0.26 0.00 0.02 0.00 0.00 54.13 54.77 1kvz s LEU 41 Cb 0.01 -3.07 0.89 0.00 0.02 0.00 0.00 46.19 44.04 1kvz s LEU 41 CO -0.00 -0.58 1.76 1.55 0.02 0.00 0.00 176.35 179.10 1kvz h PRO 42 N 0.57 0.00 0.51 1.29 0.13 -1.98 -2.75 132.00 129.77 1kvz h PRO 42 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 1kvz h PRO 42 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1kvz h PRO 42 CO 0.57 0.00 -0.24 0.78 -0.23 0.00 0.00 178.00 178.87 1kvz h GLY 43 N 3.29 -0.71 2.00 1.56 0.00 -1.97 -1.05 103.07 106.20 1kvz h GLY 43 Ca 0.00 0.26 -0.13 0.00 0.00 0.00 0.00 47.33 47.46 1kvz h GLY 43 CO 0.00 -0.26 -0.63 -0.56 0.00 0.00 0.00 176.54 175.09 1kvz h PRO 44 N -1.06 0.00 0.37 4.80 0.13 -1.99 -1.26 132.00 133.00 1kvz h PRO 44 Ca -0.07 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1kvz h PRO 44 Cb 0.60 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1kvz h PRO 44 CO 0.11 0.63 -0.18 0.28 -0.23 0.00 0.00 178.00 178.61 1kvz h VAL 45 N 0.00 0.17 0.00 1.56 2.07 -1.56 -3.13 116.25 115.36 1kvz h VAL 45 Ca -0.01 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.82 1kvz h VAL 45 Cb 1.23 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1kvz h VAL 45 CO 0.08 0.04 -0.05 0.50 0.02 0.00 0.00 177.57 178.16 1kvz h LYS 46 N -1.09 0.00 -0.99 1.57 3.64 -1.28 -2.20 116.57 116.22 1kvz h LYS 46 Ca -0.05 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.39 1kvz h LYS 46 Cb 0.45 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.21 1kvz h LYS 46 CO 0.08 0.05 0.64 0.00 -2.27 0.00 0.00 179.45 177.96 1kvz h ALA 47 N 1.95 1.40 -0.31 5.00 0.00 -1.17 -0.02 119.26 126.11 1kvz h ALA 47 Ca -0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1kvz h ALA 47 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1kvz h ALA 47 CO 0.01 0.47 0.18 -0.07 0.00 0.00 0.00 179.25 179.83 1kvz h LEU 48 N 1.19 0.37 -0.32 0.00 3.38 -1.38 -0.03 115.31 118.52 1kvz h LEU 48 Ca 0.42 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.37 1kvz h LEU 48 Cb 0.12 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1kvz h LEU 48 CO -0.15 0.30 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1kvz n ARG 50 N -2.33 0.65 0.00 0.00 0.00 -0.03 -0.63 116.66 114.32 1kvz n ARG 50 Ca 0.04 -0.31 0.00 0.00 -0.00 0.00 0.00 57.85 57.58 1kvz n ARG 50 Cb 0.36 -3.08 0.00 0.00 0.00 0.00 0.00 32.46 29.74 1kvz n ARG 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1kvz n GLY 51 N 6.30 2.08 3.70 5.14 0.00 -1.26 -5.08 105.19 116.07 1kvz n GLY 51 Ca 0.47 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1kvz n GLY 51 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kvz s VAL 52 N -0.11 3.37 -0.09 1.61 1.01 0.20 -4.89 120.40 121.49 1kvz s VAL 52 Ca 0.00 0.89 0.02 0.00 0.00 0.00 0.00 61.98 62.89 1kvz s VAL 52 Cb 0.00 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.74 1kvz s VAL 52 CO 0.00 0.03 -0.07 -0.38 0.00 0.00 0.00 175.10 174.69 1kvz n ILE 53 N 4.34 0.55 -4.42 2.22 2.08 -1.26 -0.22 119.36 122.65 1kvz n ILE 53 Ca 0.13 -0.23 -0.27 0.00 0.56 0.00 0.00 62.75 62.94 1kvz n ILE 53 Cb 0.42 -0.83 -0.09 0.00 -0.75 0.00 0.00 39.64 38.39 1kvz n ILE 53 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 1kvz s PHE 54 N -2.19 2.43 -0.10 1.39 -0.71 -1.26 -1.02 117.98 116.53 1kvz s PHE 54 Ca -0.11 -0.68 -0.34 0.00 -1.04 0.00 0.00 56.93 54.76 1kvz s PHE 54 Cb 0.03 -1.84 -0.11 0.00 -1.21 0.00 0.00 43.02 39.89 1kvz s PHE 54 CO 0.24 0.28 1.90 -1.13 -1.34 0.00 0.00 175.22 175.17 1kvz n SER 55 N -1.14 3.45 -3.70 1.98 3.41 -1.24 -4.06 113.62 112.32 1kvz n SER 55 Ca -0.05 0.94 -0.13 0.00 -0.26 0.00 0.00 58.87 59.37 1kvz n SER 55 Cb 0.66 -1.38 -0.07 0.00 -0.26 0.00 0.00 64.21 63.16 1kvz n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kvz s ALA 56 N 4.28 -0.97 -0.10 7.33 0.00 -0.33 -4.93 121.76 127.04 1kvz s ALA 56 Ca 0.93 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 1kvz s ALA 56 Cb -0.68 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 22.59 1kvz s ALA 56 CO 0.51 -0.37 0.24 -0.51 0.00 0.00 0.00 175.76 175.64 1kvz s ASP 57 N -1.66 6.50 0.05 0.00 1.01 -1.26 0.14 116.67 121.45 1kvz s ASP 57 Ca -0.09 0.60 0.00 0.00 0.71 0.00 0.00 52.55 53.77 1kvz s ASP 57 Cb -0.02 -2.14 -0.03 0.00 1.01 0.00 0.00 42.92 41.73 1kvz s ASP 57 CO 0.01 0.31 -0.05 0.54 0.21 0.00 0.00 175.17 176.20 1kvz s VAL 58 N -0.67 0.36 -0.10 -1.27 0.11 -0.01 -4.95 120.40 113.87 1kvz s VAL 58 Ca 0.17 -1.50 -0.02 0.00 -2.93 0.00 0.00 61.98 57.70 1kvz s VAL 58 Cb -0.13 -1.10 -0.03 0.00 -1.53 0.00 0.00 36.38 33.58 1kvz s VAL 58 CO 0.06 -0.75 -0.01 -0.76 -3.33 0.00 0.00 175.10 170.31 1kvz s LEU 59 N -2.37 3.47 0.66 2.54 1.43 -1.26 -0.99 118.68 122.16 1kvz s LEU 59 Ca -0.00 0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.00 1kvz s LEU 59 Cb 0.00 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 1kvz s LEU 59 CO -0.05 0.33 0.60 -1.54 0.23 0.00 0.00 176.35 175.93 1kvz n SER 60 N 2.45 -0.81 0.17 2.29 3.41 -0.73 -4.87 113.62 115.53 1kvz n SER 60 Ca -0.18 0.67 0.02 0.00 -0.26 0.00 0.00 58.87 59.12 1kvz n SER 60 Cb 0.53 -1.23 0.34 0.00 -0.26 0.00 0.00 64.21 63.59 1kvz n SER 60 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1kvz h ASN 61 N -0.05 0.05 -4.64 4.04 -1.24 -1.97 -3.45 115.58 108.31 1kvz h ASN 61 Ca -0.46 -0.02 -0.07 0.00 0.71 0.00 0.00 56.30 56.47 1kvz h ASN 61 Cb 1.37 -0.01 -0.20 0.00 0.73 0.00 0.00 38.32 40.20 1kvz h ASN 61 CO 0.45 0.42 0.08 -0.44 -1.29 0.00 0.00 177.43 176.65 1kvz s SER 62 N -6.92 -0.61 0.36 1.15 0.01 -1.26 -5.14 113.70 101.28 1kvz s SER 62 Ca -0.03 0.85 -0.28 0.00 1.31 0.00 0.00 55.95 57.79 1kvz s SER 62 Cb 0.14 0.78 -0.11 0.00 0.21 0.00 0.00 66.02 67.04 1kvz s SER 62 CO 0.73 -0.46 1.48 -1.84 0.41 0.00 0.00 173.24 173.57 1kvz n GLU 63 N 1.58 2.61 -4.64 12.44 0.28 -1.26 -4.77 120.64 126.88 1kvz n GLU 63 Ca -0.18 0.92 -0.30 0.00 -0.16 0.00 0.00 57.16 57.44 1kvz n GLU 63 Cb 0.56 -2.64 -0.08 0.00 1.43 0.00 0.00 31.44 30.71 1kvz n GLU 63 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1kvz s PHE 64 N -0.93 2.12 0.32 -1.84 0.08 -0.98 -4.72 117.98 112.04 1kvz s PHE 64 Ca 0.55 -0.83 -0.28 0.00 0.12 0.00 0.00 56.93 56.49 1kvz s PHE 64 Cb -0.49 -1.70 -0.09 0.00 -0.57 0.00 0.00 43.02 40.16 1kvz s PHE 64 CO 0.61 0.27 1.15 0.71 -0.10 0.00 0.00 175.22 177.86 1kvz s TYR 65 N -2.80 3.36 -0.13 0.36 2.02 -1.26 -2.61 117.35 116.29 1kvz s TYR 65 Ca 0.19 1.62 0.02 0.00 -0.37 0.00 0.00 57.07 58.53 1kvz s TYR 65 Cb 0.04 -3.36 0.01 0.00 -0.40 0.00 0.00 41.96 38.25 1kvz s TYR 65 CO 0.10 -0.94 -0.19 -0.51 -1.57 0.00 0.00 175.55 172.44 1kvz s LEU 66 N -1.81 1.95 -0.44 -1.29 1.43 0.96 -1.64 118.68 117.84 1kvz s LEU 66 Ca 0.49 -0.54 -0.05 0.00 -1.03 0.00 0.00 54.13 53.00 1kvz s LEU 66 Cb -0.32 -1.31 0.11 0.00 0.03 0.00 0.00 46.19 44.70 1kvz s LEU 66 CO 0.42 0.04 0.26 0.00 0.23 0.00 0.00 176.35 177.30 1kvz s ALA 67 N 0.97 3.25 0.11 4.21 0.00 -0.98 -1.93 121.76 127.39 1kvz s ALA 67 Ca -0.05 -2.55 0.05 0.00 0.00 0.00 0.00 51.96 49.41 1kvz s ALA 67 Cb -0.15 -2.57 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1kvz s ALA 67 CO -0.03 -1.85 0.02 -1.83 0.00 0.00 0.00 175.76 172.07 1kvz s GLU 68 N 1.20 2.58 -0.47 0.00 -1.05 -0.95 -0.44 118.70 119.57 1kvz s GLU 68 Ca 0.08 -0.87 -0.06 0.00 -0.15 0.00 0.00 54.97 53.96 1kvz s GLU 68 Cb -0.24 -2.54 0.12 0.00 -0.44 0.00 0.00 34.13 31.03 1kvz s GLU 68 CO -0.03 0.52 0.31 0.00 0.95 0.00 0.00 175.26 177.01 1kvz s ASN 70 N 2.15 6.34 -0.32 0.00 -0.87 -0.94 -2.17 114.94 119.14 1kvz s ASN 70 Ca 0.08 0.39 -0.14 0.00 -1.57 0.00 0.00 52.86 51.63 1kvz s ASN 70 Cb -0.24 -2.12 -0.02 0.00 -0.02 0.00 0.00 41.25 38.85 1kvz s ASN 70 CO -0.03 0.21 0.31 -0.69 -2.57 0.00 0.00 177.10 174.33 1kvz s VAL 71 N 0.02 5.22 0.50 1.60 1.01 -0.84 -0.62 120.40 127.29 1kvz s VAL 71 Ca 0.13 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.98 1kvz s VAL 71 Cb -0.12 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 1kvz s VAL 71 CO 0.02 0.03 1.34 0.29 0.00 0.00 0.00 175.10 176.78 1kvz n LYS 72 N 5.25 1.86 -2.54 2.72 5.02 -0.53 -4.96 118.16 124.98 1kvz n LYS 72 Ca -0.11 0.67 -0.33 0.00 -2.02 0.00 0.00 58.31 56.53 1kvz n LYS 72 Cb 0.50 -2.53 -0.04 0.00 -0.02 0.00 0.00 35.03 32.94 1kvz n LYS 72 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1kvz s PRO 73 N -2.62 3.99 -1.39 1.97 0.04 -1.26 -3.87 135.00 131.87 1kvz s PRO 73 Ca 0.67 1.07 -0.00 0.00 0.04 0.00 0.00 61.00 62.78 1kvz s PRO 73 Cb -0.44 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 31.96 1kvz s PRO 73 CO 0.53 -0.24 0.00 0.54 0.04 0.00 0.00 177.00 177.88 1kvz n ARG 74 N -1.22 -1.32 -4.17 4.56 5.12 -1.26 -5.00 116.66 113.37 1kvz n ARG 74 Ca 0.07 0.79 -0.15 0.00 -1.93 0.00 0.00 57.85 56.63 1kvz n ARG 74 Cb 0.54 -5.19 -0.11 0.00 -1.16 0.00 0.00 32.46 26.54 1kvz n ARG 74 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1kvz s LYS 75 N -4.82 0.82 -1.24 5.56 1.02 -1.25 -5.07 119.74 114.76 1kvz s LYS 75 Ca 0.00 -1.10 -0.20 0.00 0.02 0.00 0.00 55.97 54.69 1kvz s LYS 75 Cb -0.00 -0.55 0.02 0.00 -0.52 0.00 0.00 37.83 36.78 1kvz s LYS 75 CO 0.00 0.09 1.78 -1.25 -0.92 0.00 0.00 175.35 175.06 1kvz s PRO 76 N -2.57 3.50 -1.29 -1.68 0.04 -1.26 -4.35 135.00 127.38 1kvz s PRO 76 Ca 0.03 -1.67 -0.10 0.00 0.04 0.00 0.00 61.00 59.31 1kvz s PRO 76 Cb -0.04 -5.43 -0.00 0.00 0.04 0.00 0.00 34.50 29.07 1kvz s PRO 76 CO 0.00 -2.79 0.58 0.00 0.04 0.00 0.00 177.00 174.83 1kvz s LYS 78 N -6.37 4.01 0.25 0.00 -0.14 -1.26 -5.01 119.74 111.22 1kvz s LYS 78 Ca 0.20 -0.09 0.07 0.00 -1.36 0.00 0.00 55.97 54.79 1kvz s LYS 78 Cb -0.08 -3.64 -0.03 0.00 -1.68 0.00 0.00 37.83 32.40 1kvz s LYS 78 CO 0.88 -0.20 0.23 0.71 -0.76 0.00 0.00 175.35 176.21 1kvz s TYR 79 N 1.84 3.19 -0.08 3.18 1.51 -1.26 -1.46 117.35 124.27 1kvz s TYR 79 Ca 0.12 -0.09 -0.04 0.00 -1.01 0.00 0.00 57.07 56.05 1kvz s TYR 79 Cb -0.16 -1.44 0.04 0.00 -0.11 0.00 0.00 41.96 40.29 1kvz s TYR 79 CO 0.10 0.50 0.18 0.21 -1.11 0.00 0.00 175.55 175.43 1kvz s LYS 80 N -3.87 0.14 0.09 -0.62 2.47 0.21 -4.91 119.74 113.25 1kvz s LYS 80 Ca 0.33 0.42 -0.30 0.00 -1.56 0.00 0.00 55.97 54.86 1kvz s LYS 80 Cb -0.08 -0.14 -0.05 0.00 -1.46 0.00 0.00 37.83 36.09 1kvz s LYS 80 CO 0.26 -0.16 1.03 -1.17 0.16 0.00 0.00 175.35 175.47 1kvz s LEU 81 N 1.14 4.45 -0.10 5.43 1.98 -1.26 -2.22 118.68 128.09 1kvz s LEU 81 Ca -0.09 1.86 0.00 0.00 -2.89 0.00 0.00 54.13 53.02 1kvz s LEU 81 Cb -0.10 -3.59 0.02 0.00 0.66 0.00 0.00 46.19 43.18 1kvz s LEU 81 CO -0.07 -0.21 -0.08 -0.54 -1.89 0.00 0.00 176.35 173.56 1kvz s LYS 82 N 0.31 1.54 0.00 1.98 1.02 -0.89 -5.00 119.74 118.71 1kvz s LYS 82 Ca 0.50 -0.28 -0.05 0.00 0.02 0.00 0.00 55.97 56.17 1kvz s LYS 82 Cb -0.25 -1.54 -0.04 0.00 -0.52 0.00 0.00 37.83 35.48 1kvz s LYS 82 CO 0.30 -0.21 0.23 0.15 -0.92 0.00 0.00 175.35 174.90 1kvz s LYS 83 N 1.51 3.52 0.39 1.68 3.01 -1.26 -2.24 119.74 126.34 1kvz s LYS 83 Ca 0.01 -0.19 -0.15 0.00 -1.01 0.00 0.00 55.97 54.64 1kvz s LYS 83 Cb -0.13 -3.08 0.05 0.00 -1.01 0.00 0.00 37.83 33.66 1kvz s LYS 83 CO -0.06 0.65 0.78 -1.12 0.51 0.00 0.00 175.35 176.11 1kvz s SER 84 N -1.83 0.08 -0.15 2.83 0.01 -0.81 -4.95 113.70 108.89 1kvz s SER 84 Ca 0.28 -1.20 -0.04 0.00 1.31 0.00 0.00 55.95 56.30 1kvz s SER 84 Cb -0.13 0.85 0.07 0.00 0.21 0.00 0.00 66.02 67.02 1kvz s SER 84 CO 0.17 -1.69 0.18 -0.55 0.41 0.00 0.00 173.24 171.76 1kvz s SER 85 N -3.09 1.24 0.13 2.44 0.15 -1.26 -0.03 113.70 113.28 1kvz s SER 85 Ca 0.17 -0.03 -0.25 0.00 0.70 0.00 0.00 55.95 56.53 1kvz s SER 85 Cb -0.05 0.25 0.07 0.00 -1.71 0.00 0.00 66.02 64.58 1kvz s SER 85 CO 0.12 -0.29 0.94 0.21 1.20 0.00 0.00 173.24 175.42 1kvz s ASN 86 N 2.29 -0.21 0.97 5.45 2.47 -1.07 -4.89 114.94 119.94 1kvz s ASN 86 Ca 0.04 -0.34 -0.08 0.00 0.42 0.00 0.00 52.86 52.90 1kvz s ASN 86 Cb -0.14 0.48 0.11 0.00 -1.45 0.00 0.00 41.25 40.25 1kvz s ASN 86 CO -0.09 -0.87 0.69 0.54 -3.72 0.00 0.00 177.10 173.65 1kvz n ARG 87 N -0.43 -0.61 -3.68 0.43 3.00 -1.26 -2.31 116.66 111.79 1kvz n ARG 87 Ca -0.07 -1.11 -0.12 0.00 -0.01 0.00 0.00 57.85 56.55 1kvz n ARG 87 Cb 0.61 -0.69 -0.09 0.00 0.00 0.00 0.00 32.46 32.29 1kvz n ARG 87 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1kvz s ILE 88 N -2.45 -0.00 -0.54 0.55 -4.36 -1.26 -2.53 121.20 110.61 1kvz s ILE 88 Ca 0.39 0.01 -0.17 0.00 -0.26 0.00 0.00 60.65 60.63 1kvz s ILE 88 Cb -0.01 -0.78 0.10 0.00 1.25 0.00 0.00 42.46 43.03 1kvz s ILE 88 CO 0.27 0.01 0.55 0.00 0.24 0.00 0.00 174.94 176.01 1kvz s ILE 90 N 2.00 4.40 -0.24 0.00 1.10 -0.16 0.32 121.20 128.63 1kvz s ILE 90 Ca 0.07 -1.06 -0.13 0.00 -0.51 0.00 0.00 60.65 59.01 1kvz s ILE 90 Cb -0.26 -3.22 -0.04 0.00 0.15 0.00 0.00 42.46 39.09 1kvz s ILE 90 CO 0.05 -0.06 0.29 -0.60 -2.11 0.00 0.00 174.94 172.51 1kvz s ARG 91 N -2.94 4.09 0.04 3.50 3.52 0.95 -0.83 118.95 127.28 1kvz s ARG 91 Ca 0.30 -0.05 0.08 0.00 -0.13 0.00 0.00 55.73 55.93 1kvz s ARG 91 Cb -0.10 -3.57 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 1kvz s ARG 91 CO 0.22 -0.06 -0.22 0.00 -0.81 0.00 0.00 175.30 174.44 1kvz s GLU 93 N -1.15 0.44 -2.17 0.00 -1.05 -0.63 -1.19 118.70 112.95 1kvz s GLU 93 Ca 0.09 0.48 0.00 0.00 -0.15 0.00 0.00 54.97 55.39 1kvz s GLU 93 Cb -0.09 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1kvz s GLU 93 CO 0.02 -0.06 0.00 0.72 0.95 0.00 0.00 175.26 176.89 1kvz n HIS 94 N 2.81 -0.10 -1.57 4.83 8.25 -0.19 -0.41 115.22 128.84 1kvz n HIS 94 Ca -0.13 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.27 1kvz n HIS 94 Cb 0.57 -3.53 -0.01 0.00 1.12 0.00 0.00 29.99 28.14 1kvz n HIS 94 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1kvz n GLU 95 N -2.46 -0.38 -3.94 -0.41 1.02 0.70 -4.95 120.64 110.22 1kvz n GLU 95 Ca -0.21 0.49 -0.28 0.00 -0.02 0.00 0.00 57.16 57.14 1kvz n GLU 95 Cb 0.69 -4.24 -0.17 0.00 -0.02 0.00 0.00 31.44 27.70 1kvz n GLU 95 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1kvz s LEU 96 N -1.31 1.37 -0.51 -4.62 2.01 0.45 -4.72 118.68 111.36 1kvz s LEU 96 Ca 0.00 -0.38 -0.28 0.00 0.01 0.00 0.00 54.13 53.47 1kvz s LEU 96 Cb 0.00 -0.95 0.02 0.00 0.01 0.00 0.00 46.19 45.26 1kvz s LEU 96 CO 0.00 -0.10 1.34 -2.16 1.01 0.00 0.00 176.35 176.43 1kvz s PRO 97 N 1.63 3.48 -0.05 1.29 0.04 -1.26 -1.60 135.00 138.53 1kvz s PRO 97 Ca 0.05 0.58 0.16 0.00 0.04 0.00 0.00 61.00 61.83 1kvz s PRO 97 Cb -0.13 -4.04 -0.24 0.00 0.04 0.00 0.00 34.50 30.13 1kvz s PRO 97 CO -0.09 -1.70 0.30 1.33 0.04 0.00 0.00 177.00 176.88 1kvz n VAL 98 N 6.90 0.22 -4.18 -0.36 0.24 -0.75 -4.56 118.33 115.85 1kvz n VAL 98 Ca 0.13 -0.44 -0.11 0.00 -2.04 0.00 0.00 64.34 61.88 1kvz n VAL 98 Cb 0.49 -0.03 -0.10 0.00 -1.47 0.00 0.00 33.84 32.73 1kvz n VAL 98 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 1kvz s HIS 99 N -2.99 0.96 -0.21 6.34 3.76 -1.21 -4.55 115.29 117.40 1kvz s HIS 99 Ca -0.06 -1.15 -0.05 0.00 -0.15 0.00 0.00 55.06 53.65 1kvz s HIS 99 Cb 0.09 -0.55 -0.02 0.00 1.11 0.00 0.00 32.58 33.21 1kvz s HIS 99 CO 0.68 -0.40 -0.00 -0.59 -0.85 0.00 0.00 174.74 173.58 1kvz s PHE 100 N -3.90 3.03 -0.15 1.40 -0.71 -1.26 -0.03 117.98 116.36 1kvz s PHE 100 Ca 0.23 -0.52 -0.25 0.00 -1.04 0.00 0.00 56.93 55.35 1kvz s PHE 100 Cb 0.07 -2.09 -0.22 0.00 -1.21 0.00 0.00 43.02 39.56 1kvz s PHE 100 CO 0.02 -0.29 0.60 0.00 -1.34 0.00 0.00 175.22 174.21 1kvz h ALA 101 N 7.62 0.04 -3.00 1.99 0.00 -0.42 -3.46 119.26 122.03 1kvz h ALA 101 Ca -0.37 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1kvz h ALA 101 Cb 1.18 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1kvz h ALA 101 CO 0.61 0.12 0.00 0.41 0.00 0.00 0.00 179.25 180.38 1kvz n GLY 102 N 1.60 2.44 3.16 0.00 0.00 -0.48 -5.01 105.19 106.90 1kvz n GLY 102 Ca -0.12 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.10 1kvz n GLY 102 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kvz s VAL 103 N -2.19 1.06 0.00 1.61 0.11 -1.26 -2.18 120.40 117.54 1kvz s VAL 103 Ca 0.00 -1.30 0.00 0.00 -2.93 0.00 0.00 61.98 57.75 1kvz s VAL 103 Cb 0.00 -1.04 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 1kvz s VAL 103 CO 0.00 -0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.13 1kvz n GLY 104 N 1.27 0.79 3.37 6.54 0.00 -1.05 -4.65 105.19 111.46 1kvz n GLY 104 Ca -0.21 0.60 -0.19 0.00 0.00 0.00 0.00 46.02 46.22 1kvz n GLY 104 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1kvz s ILE 105 N 0.00 1.76 0.33 -0.61 2.07 -1.26 -4.39 121.20 119.11 1kvz s ILE 105 Ca 0.00 -2.21 0.08 0.00 -1.41 0.00 0.00 60.65 57.11 1kvz s ILE 105 Cb 0.00 -2.15 -0.03 0.00 0.13 0.00 0.00 42.46 40.41 1kvz s ILE 105 CO 0.00 -0.52 0.22 0.00 -1.91 0.00 0.00 174.94 172.73