#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 2.87 0.12 2.12 -0.21 -1.26 -5.13 119.66 118.16 1kvz s GLN 2 Ca 0.00 -1.16 0.01 0.00 0.02 0.00 0.00 55.36 54.23 1kvz s GLN 2 Cb 0.00 -2.57 -0.00 0.00 1.00 0.00 0.00 33.01 31.44 1kvz s GLN 2 CO 0.00 0.20 0.04 -0.25 -2.12 0.00 0.00 175.29 173.15 1kvz n ASP 3 N -1.35 1.19 0.08 5.90 9.92 -1.26 -4.92 116.55 126.11 1kvz n ASP 3 Ca -0.04 -1.60 -0.03 0.00 -0.53 0.00 0.00 54.79 52.59 1kvz n ASP 3 Cb 0.59 0.26 0.21 0.00 -0.64 0.00 0.00 41.12 41.54 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 1.17 0.35 -0.30 1.24 -0.00 -1.89 -2.62 115.95 113.90 1kvz h TRP 4 Ca -0.09 -0.09 -0.07 0.00 -0.00 0.00 0.00 58.89 58.64 1kvz h TRP 4 Cb 0.34 -0.08 -0.02 0.00 -0.00 0.00 0.00 29.16 29.41 1kvz h TRP 4 CO 0.00 0.66 -0.09 0.00 -0.00 0.00 0.00 178.44 179.00 1kvz h ALA 5 N 1.33 1.29 -0.04 2.65 0.00 -1.96 0.73 119.26 123.26 1kvz h ALA 5 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1kvz h ALA 5 Cb 0.82 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1kvz h ALA 5 CO 0.07 0.47 -0.06 1.15 0.00 0.00 0.00 179.25 180.88 1kvz h THR 6 N 0.46 1.41 0.00 0.00 2.02 -1.89 -2.75 112.91 112.15 1kvz h THR 6 Ca 0.09 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 65.95 1kvz h THR 6 Cb 0.45 2.18 -0.00 0.00 -1.74 0.00 0.00 68.15 69.04 1kvz h THR 6 CO 0.02 0.36 -0.05 0.15 0.37 0.00 0.00 175.52 176.37 1kvz h PHE 7 N -0.37 0.00 0.14 3.16 3.04 -1.28 0.21 116.94 121.84 1kvz h PHE 7 Ca 0.00 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.95 1kvz h PHE 7 Cb 0.61 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.12 1kvz h PHE 7 CO 0.11 0.05 -0.07 -0.22 -2.02 0.00 0.00 178.31 176.16 1kvz h LYS 8 N 0.00 -0.18 0.00 1.11 3.64 -0.57 0.32 116.57 120.88 1kvz h LYS 8 Ca -0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1kvz h LYS 8 Cb 0.11 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1kvz h LYS 8 CO 0.01 -0.01 -0.08 0.87 -2.27 0.00 0.00 179.45 177.97 1kvz h LYS 9 N -0.33 0.00 0.00 1.90 1.57 -1.20 -1.51 116.57 117.01 1kvz h LYS 9 Ca -0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1kvz h LYS 9 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1kvz h LYS 9 CO 0.03 0.08 -0.33 0.87 -0.57 0.00 0.00 179.45 179.53 1kvz h LYS 10 N 0.00 0.00 0.00 3.15 1.57 -0.39 -3.43 116.57 117.47 1kvz h LYS 10 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1kvz h LYS 10 Cb 1.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1kvz h LYS 10 CO 0.01 0.88 -0.49 0.72 -0.57 0.00 0.00 179.45 180.00 1kvz n HIS 11 N -4.58 0.00 -3.78 -1.35 8.25 0.11 -4.25 115.22 109.61 1kvz n HIS 11 Ca -0.15 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 56.95 1kvz n HIS 11 Cb 0.48 -0.02 -0.07 0.00 1.12 0.00 0.00 29.99 31.50 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 -2.50 4.33 0.02 2.41 1.43 -0.57 0.35 118.68 124.15 1kvz s LEU 12 Ca 0.00 0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1kvz s LEU 12 Cb 0.01 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 1kvz s LEU 12 CO 0.09 0.31 0.03 0.42 0.23 0.00 0.00 176.35 177.43 1kvz s THR 13 N -0.50 0.11 -0.25 5.49 -4.23 -0.89 -4.33 115.64 111.03 1kvz s THR 13 Ca 0.14 -0.95 0.13 0.00 -1.18 0.00 0.00 61.69 59.82 1kvz s THR 13 Cb -0.12 -0.49 0.60 0.00 1.34 0.00 0.00 72.50 73.83 1kvz s THR 13 CO 0.03 -0.52 1.56 0.47 -0.54 0.00 0.00 174.62 175.62 1kvz n ASP 14 N 1.33 3.87 -3.56 3.99 8.00 -1.26 -3.82 116.55 125.10 1kvz n ASP 14 Ca -0.22 -3.27 -0.16 0.00 0.71 0.00 0.00 54.79 51.85 1kvz n ASP 14 Cb 0.56 -0.63 -0.06 0.00 -0.02 0.00 0.00 41.12 40.96 1kvz n ASP 14 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1kvz s THR 15 N -2.99 0.00 0.06 -3.53 2.01 -1.26 -5.05 115.64 104.87 1kvz s THR 15 Ca 0.47 0.00 -0.19 0.00 0.31 0.00 0.00 61.69 62.28 1kvz s THR 15 Cb 0.39 -1.00 -0.13 0.00 0.01 0.00 0.00 72.50 71.78 1kvz s THR 15 CO 0.08 0.00 1.38 -0.25 -0.69 0.00 0.00 174.62 175.14 1kvz h TRP 16 N 3.48 0.51 -3.48 4.92 7.01 -1.97 -3.41 115.95 123.01 1kvz h TRP 16 Ca -0.26 -0.14 -0.60 0.00 2.11 0.00 0.00 58.89 59.99 1kvz h TRP 16 Cb 1.15 -0.11 -0.11 0.00 -2.10 0.00 0.00 29.16 27.99 1kvz h TRP 16 CO 0.37 0.77 0.02 -0.51 -2.79 0.00 0.00 178.44 176.31 1kvz s ASP 17 N -6.18 6.57 0.28 2.65 1.11 -1.26 -4.71 116.67 115.13 1kvz s ASP 17 Ca -0.14 0.68 0.10 0.00 0.18 0.00 0.00 52.55 53.37 1kvz s ASP 17 Cb 0.06 -2.31 -0.04 0.00 1.07 0.00 0.00 42.92 41.70 1kvz s ASP 17 CO 0.77 -0.24 -0.02 -0.69 1.18 0.00 0.00 175.17 176.16 1kvz s VAL 18 N 1.93 3.25 -0.70 -1.27 1.01 -1.26 -5.07 120.40 118.29 1kvz s VAL 18 Ca 0.25 -1.97 -0.16 0.00 0.00 0.00 0.00 61.98 60.09 1kvz s VAL 18 Cb -0.16 -2.77 0.16 0.00 0.00 0.00 0.00 36.38 33.61 1kvz s VAL 18 CO 0.09 -0.36 0.71 -1.81 0.00 0.00 0.00 175.10 173.74 1kvz s ASP 19 N -3.66 6.44 -0.10 3.32 1.01 -1.26 -4.87 116.67 117.55 1kvz s ASP 19 Ca 0.32 -2.05 0.01 0.00 0.71 0.00 0.00 52.55 51.53 1kvz s ASP 19 Cb -0.06 -2.25 -0.25 0.00 1.01 0.00 0.00 42.92 41.37 1kvz s ASP 19 CO 0.19 -0.84 0.45 0.00 0.21 0.00 0.00 175.17 175.18 1kvz n ASP 21 N -3.31 0.57 -0.06 0.00 -0.08 -1.26 -0.82 116.55 111.58 1kvz n ASP 21 Ca -0.27 0.68 -0.03 0.00 -1.51 0.00 0.00 54.79 53.65 1kvz n ASP 21 Cb 1.05 -0.78 -0.14 0.00 2.34 0.00 0.00 41.12 43.59 1kvz n ASP 21 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1kvz n ASN 22 N -2.16 0.78 -0.03 1.67 5.15 -1.26 -4.54 115.26 114.87 1kvz n ASN 22 Ca 0.01 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.90 1kvz n ASN 22 Cb 0.16 1.19 -0.14 0.00 -0.53 0.00 0.00 39.78 40.45 1kvz n ASN 22 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1kvz n LEU 23 N -2.49 0.79 -0.19 1.20 4.32 -1.09 -4.34 117.00 115.19 1kvz n LEU 23 Ca -0.21 0.35 -0.01 0.00 -0.02 0.00 0.00 56.01 56.13 1kvz n LEU 23 Cb 0.89 0.19 0.10 0.00 -1.62 0.00 0.00 43.42 42.98 1kvz n LEU 23 CO 0.37 0.41 0.97 -0.03 -1.22 0.00 0.00 177.39 177.90 1kvz h MET 24 N 0.00 0.37 0.00 3.23 4.05 -1.21 -1.49 114.93 119.88 1kvz h MET 24 Ca -0.33 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.07 1kvz h MET 24 Cb 2.05 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.77 1kvz h MET 24 CO 0.07 0.24 0.00 -0.35 0.23 0.00 0.00 176.91 177.11 1kvz n PRO 25 N -5.01 0.92 -1.51 0.39 -0.04 -1.26 0.77 135.00 129.26 1kvz n PRO 25 Ca 0.08 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 1kvz n PRO 25 Cb 0.26 -1.25 0.15 0.00 -0.04 0.00 0.00 33.50 32.62 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 -0.75 0.00 0.59 0.52 -1.04 -0.56 -4.76 114.28 108.28 1kvz n THR 26 Ca 0.11 -0.79 0.13 0.00 -2.04 0.00 0.00 64.05 61.46 1kvz n THR 26 Cb 0.05 -1.56 0.32 0.00 -1.82 0.00 0.00 70.33 67.32 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 -1.21 0.00 0.31 8.00 0.87 -1.89 0.20 113.55 119.83 1kvz h SER 27 Ca -0.31 -0.07 -0.33 0.00 -1.23 0.00 0.00 61.79 59.85 1kvz h SER 27 Cb 0.89 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.89 1kvz h SER 27 CO 0.23 0.03 -1.48 0.25 -0.53 0.00 0.00 176.83 175.33 1kvz h LEU 28 N 0.00 0.77 0.06 2.23 5.85 -1.92 -3.36 115.31 118.93 1kvz h LEU 28 Ca 0.00 -0.85 -0.36 0.00 0.84 0.00 0.00 57.88 57.50 1kvz h LEU 28 Cb 0.75 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1kvz h LEU 28 CO 0.00 1.67 -2.16 0.49 -0.34 0.00 0.00 178.44 178.11 1kvz n PHE 29 N -3.68 0.69 -2.95 1.25 3.72 -1.24 -4.97 117.46 110.29 1kvz n PHE 29 Ca -0.17 0.17 -0.18 0.00 -0.05 0.00 0.00 57.45 57.22 1kvz n PHE 29 Cb 1.09 -1.10 -0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1kvz n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1kvz n ASP 30 N -3.28 -3.76 -2.74 4.37 2.03 0.71 -2.43 116.55 111.46 1kvz n ASP 30 Ca -0.35 -0.11 -0.01 0.00 0.52 0.00 0.00 54.79 54.84 1kvz n ASP 30 Cb 1.04 -3.15 0.00 0.00 -0.72 0.00 0.00 41.12 38.30 1kvz n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kvz s LYS 32 N -2.85 0.99 -0.07 0.00 1.02 -1.02 -5.02 119.74 112.79 1kvz s LYS 32 Ca 0.05 -0.34 -0.20 0.00 0.02 0.00 0.00 55.97 55.49 1kvz s LYS 32 Cb -0.01 -1.90 -0.30 0.00 -0.52 0.00 0.00 37.83 35.10 1kvz s LYS 32 CO 0.62 -2.18 0.79 0.38 -0.92 0.00 0.00 175.35 174.04 1kvz h ASP 33 N -1.45 0.43 -4.87 2.83 2.03 -1.94 -3.44 116.42 110.00 1kvz h ASP 33 Ca -0.44 -0.92 0.04 0.00 -0.73 0.00 0.00 57.03 54.98 1kvz h ASP 33 Cb 1.26 -0.14 -0.13 0.00 -0.83 0.00 0.00 39.33 39.49 1kvz h ASP 33 CO 0.44 1.44 0.33 -1.59 -1.03 0.00 0.00 179.24 178.83 1kvz s LYS 34 N -2.43 1.12 0.07 4.15 -2.85 -1.26 -1.56 119.74 116.98 1kvz s LYS 34 Ca -0.16 -0.43 -0.03 0.00 -1.00 0.00 0.00 55.97 54.35 1kvz s LYS 34 Cb 0.02 0.50 -0.03 0.00 -2.06 0.00 0.00 37.83 36.26 1kvz s LYS 34 CO 0.81 -0.49 0.05 1.21 0.10 0.00 0.00 175.35 177.03 1kvz s ASN 35 N -2.66 0.35 -0.15 0.03 3.84 0.06 -4.95 114.94 111.45 1kvz s ASN 35 Ca 0.03 -0.92 -0.03 0.00 0.21 0.00 0.00 52.86 52.15 1kvz s ASN 35 Cb -0.01 0.26 0.05 0.00 -0.55 0.00 0.00 41.25 41.00 1kvz s ASN 35 CO -0.10 -0.66 0.05 -0.89 -2.79 0.00 0.00 177.10 172.71 1kvz s THR 36 N -3.92 0.21 0.37 -5.21 2.01 -1.26 -0.30 115.64 107.53 1kvz s THR 36 Ca 0.09 -0.20 0.06 0.00 0.31 0.00 0.00 61.69 61.94 1kvz s THR 36 Cb 0.07 -0.69 -0.00 0.00 0.01 0.00 0.00 72.50 71.88 1kvz s THR 36 CO -0.09 -0.12 0.52 -0.36 -0.69 0.00 0.00 174.62 173.88 1kvz s PHE 37 N 2.01 3.07 -0.00 4.92 0.08 0.14 -4.13 117.98 124.07 1kvz s PHE 37 Ca 0.02 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.91 1kvz s PHE 37 Cb -0.15 -2.11 -0.01 0.00 -0.57 0.00 0.00 43.02 40.18 1kvz s PHE 37 CO -0.07 -0.13 -0.10 -1.50 -0.10 0.00 0.00 175.22 173.31 1kvz s ILE 38 N -2.26 0.76 -0.75 0.64 -1.16 0.15 -1.58 121.20 117.01 1kvz s ILE 38 Ca 0.47 -0.49 -0.17 0.00 -0.51 0.00 0.00 60.65 59.96 1kvz s ILE 38 Cb -0.10 -0.65 0.15 0.00 0.61 0.00 0.00 42.46 42.47 1kvz s ILE 38 CO 0.32 0.16 0.80 -0.47 -2.81 0.00 0.00 174.94 172.94 1kvz s TYR 39 N -0.33 3.32 0.03 3.50 5.04 -0.14 -2.10 117.35 126.68 1kvz s TYR 39 Ca 0.03 -1.46 -0.29 0.00 -2.44 0.00 0.00 57.07 52.91 1kvz s TYR 39 Cb -0.04 -3.98 0.10 0.00 0.35 0.00 0.00 41.96 38.39 1kvz s TYR 39 CO -0.00 -1.20 1.20 0.45 -1.34 0.00 0.00 175.55 174.65 1kvz s SER 40 N 3.10 -0.08 0.34 4.32 0.15 -1.25 -4.48 113.70 115.81 1kvz s SER 40 Ca 0.18 -0.23 -0.07 0.00 0.70 0.00 0.00 55.95 56.53 1kvz s SER 40 Cb -0.15 0.25 -0.06 0.00 -1.71 0.00 0.00 66.02 64.35 1kvz s SER 40 CO -0.03 -0.47 0.64 -0.76 1.20 0.00 0.00 173.24 173.82 1kvz s LEU 41 N -3.04 3.97 0.21 3.45 1.02 -1.26 -4.58 118.68 118.45 1kvz s LEU 41 Ca 0.15 0.89 0.25 0.00 0.02 0.00 0.00 54.13 55.45 1kvz s LEU 41 Cb 0.03 -3.74 0.88 0.00 0.02 0.00 0.00 46.19 43.39 1kvz s LEU 41 CO -0.02 -0.28 1.76 -0.81 0.02 0.00 0.00 176.35 177.02 1kvz n PRO 42 N -1.06 0.22 0.21 1.29 -0.04 -1.26 -2.45 135.00 131.91 1kvz n PRO 42 Ca 0.00 0.27 -0.12 0.00 -0.04 0.00 0.00 63.50 63.62 1kvz n PRO 42 Cb 0.54 -1.81 -0.06 0.00 -0.04 0.00 0.00 33.50 32.13 1kvz n PRO 42 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1kvz h GLY 43 N 3.77 -0.61 2.00 0.55 0.00 -1.97 0.21 103.07 107.02 1kvz h GLY 43 Ca 0.00 0.23 -0.15 0.00 0.00 0.00 0.00 47.33 47.41 1kvz h GLY 43 CO 0.00 -0.22 -0.72 -0.56 0.00 0.00 0.00 176.54 175.04 1kvz h PRO 44 N -1.04 0.00 0.13 4.80 0.13 -1.98 0.48 132.00 134.52 1kvz h PRO 44 Ca -0.06 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.06 1kvz h PRO 44 Cb 0.55 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1kvz h PRO 44 CO 0.10 0.72 -0.06 0.28 -0.23 0.00 0.00 178.00 178.80 1kvz h VAL 45 N 0.00 0.98 0.00 1.56 2.07 -1.56 -3.13 116.25 116.17 1kvz h VAL 45 Ca -0.01 -1.18 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 1kvz h VAL 45 Cb 1.30 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1kvz h VAL 45 CO 0.09 0.25 -0.20 0.50 0.02 0.00 0.00 177.57 178.24 1kvz h LYS 46 N -0.80 0.00 -0.25 1.57 3.64 -1.02 -2.40 116.57 117.31 1kvz h LYS 46 Ca -0.02 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.42 1kvz h LYS 46 Cb 0.54 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.35 1kvz h LYS 46 CO 0.03 0.20 0.18 0.00 -2.27 0.00 0.00 179.45 177.58 1kvz h ALA 47 N 1.80 2.14 -0.69 5.00 0.00 -0.84 0.04 119.26 126.71 1kvz h ALA 47 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1kvz h ALA 47 Cb 0.50 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1kvz h ALA 47 CO 0.03 -0.20 0.30 -0.07 0.00 0.00 0.00 179.25 179.31 1kvz h LEU 48 N 0.08 0.91 0.00 0.00 3.38 -1.42 -1.07 115.31 117.19 1kvz h LEU 48 Ca 0.12 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kvz h LEU 48 Cb 0.36 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1kvz h LEU 48 CO -0.01 0.79 -0.01 0.00 0.09 0.00 0.00 178.44 179.30 1kvz n ARG 50 N -1.58 0.55 0.00 0.00 0.63 -0.41 -0.44 116.66 115.41 1kvz n ARG 50 Ca 0.07 -0.42 0.00 0.00 -0.92 0.00 0.00 57.85 56.58 1kvz n ARG 50 Cb 0.35 -3.02 0.00 0.00 0.45 0.00 0.00 32.46 30.24 1kvz n ARG 50 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1kvz n GLY 51 N 6.36 2.49 3.75 5.14 0.00 -1.26 -5.07 105.19 116.61 1kvz n GLY 51 Ca 0.49 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 2.89 0.00 1.61 1.01 0.42 -4.91 120.40 121.42 1kvz s VAL 52 Ca 0.00 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1kvz s VAL 52 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1kvz s VAL 52 CO 0.00 0.14 0.00 -0.38 0.00 0.00 0.00 175.10 174.86 1kvz n ILE 53 N 2.05 0.00 -3.49 2.22 2.08 -1.26 -0.41 119.36 120.55 1kvz n ILE 53 Ca 0.05 0.00 -0.22 0.00 0.56 0.00 0.00 62.75 63.14 1kvz n ILE 53 Cb 0.42 -0.60 -0.00 0.00 -0.75 0.00 0.00 39.64 38.71 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 -1.98 2.17 0.05 1.39 -0.12 -1.26 -1.14 117.98 117.10 1kvz s PHE 54 Ca 0.00 -0.62 -0.31 0.00 -0.05 0.00 0.00 56.93 55.95 1kvz s PHE 54 Cb 0.00 -2.13 -0.07 0.00 -0.63 0.00 0.00 43.02 40.19 1kvz s PHE 54 CO 0.00 -0.45 1.42 -1.12 -0.05 0.00 0.00 175.22 175.02 1kvz s SER 55 N -4.30 6.82 0.00 1.98 0.01 -1.23 -3.68 113.70 113.30 1kvz s SER 55 Ca 0.48 2.24 -0.20 0.00 1.31 0.00 0.00 55.95 59.77 1kvz s SER 55 Cb -0.04 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.66 1kvz s SER 55 CO 0.29 -0.71 0.44 0.00 0.41 0.00 0.00 173.24 173.67 1kvz s ALA 56 N 1.89 -1.10 -0.26 1.44 0.00 -0.14 -4.91 121.76 118.68 1kvz s ALA 56 Ca 0.65 0.55 -0.14 0.00 0.00 0.00 0.00 51.96 53.02 1kvz s ALA 56 Cb -0.34 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1kvz s ALA 56 CO 0.29 -0.36 0.33 -0.51 0.00 0.00 0.00 175.76 175.51 1kvz s ASP 57 N -1.57 6.24 0.09 0.00 1.01 -1.26 0.27 116.67 121.45 1kvz s ASP 57 Ca -0.10 0.27 0.08 0.00 0.71 0.00 0.00 52.55 53.51 1kvz s ASP 57 Cb -0.02 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.68 1kvz s ASP 57 CO 0.03 -0.13 -0.20 -0.69 0.21 0.00 0.00 175.17 174.39 1kvz s VAL 58 N 1.83 1.64 -0.14 -1.27 1.01 -0.08 -4.92 120.40 118.46 1kvz s VAL 58 Ca 0.14 -1.47 -0.00 0.00 0.00 0.00 0.00 61.98 60.65 1kvz s VAL 58 Cb -0.15 -1.49 -0.01 0.00 0.00 0.00 0.00 36.38 34.73 1kvz s VAL 58 CO 0.09 -0.04 -0.13 -0.76 0.00 0.00 0.00 175.10 174.26 1kvz s LEU 59 N -1.79 2.69 0.24 3.92 1.43 -1.26 -0.53 118.68 123.38 1kvz s LEU 59 Ca 0.06 -0.36 -0.31 0.00 -1.03 0.00 0.00 54.13 52.48 1kvz s LEU 59 Cb -0.10 -1.61 -0.14 0.00 0.03 0.00 0.00 46.19 44.37 1kvz s LEU 59 CO 0.04 0.13 1.32 -1.54 0.23 0.00 0.00 176.35 176.53 1kvz n SER 60 N 3.76 2.41 0.03 2.29 3.41 -0.43 -4.90 113.62 120.20 1kvz n SER 60 Ca -0.18 1.15 -0.08 0.00 -0.26 0.00 0.00 58.87 59.50 1kvz n SER 60 Cb 0.52 -1.39 -0.13 0.00 -0.26 0.00 0.00 64.21 62.96 1kvz n SER 60 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1kvz h ASN 61 N 3.73 0.01 -2.93 4.04 -1.07 -1.98 -3.41 115.58 113.98 1kvz h ASN 61 Ca -0.44 -0.02 -0.63 0.00 0.07 0.00 0.00 56.30 55.28 1kvz h ASN 61 Cb 1.29 -0.00 -0.07 0.00 -2.07 0.00 0.00 38.32 37.47 1kvz h ASN 61 CO 0.72 1.02 -0.35 -0.44 0.07 0.00 0.00 177.43 178.44 1kvz s SER 62 N -6.50 6.54 -0.06 6.14 0.01 -1.26 -5.05 113.70 113.51 1kvz s SER 62 Ca -0.01 0.64 -0.23 0.00 1.31 0.00 0.00 55.95 57.65 1kvz s SER 62 Cb 0.09 -2.16 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 1kvz s SER 62 CO 0.82 0.31 0.69 -1.61 0.41 0.00 0.00 173.24 173.86 1kvz s GLU 63 N -0.69 4.43 0.38 12.44 2.02 -1.26 -4.69 118.70 131.33 1kvz s GLU 63 Ca 0.18 0.86 0.05 0.00 0.02 0.00 0.00 54.97 56.09 1kvz s GLU 63 Cb -0.14 -3.44 -0.07 0.00 0.10 0.00 0.00 34.13 30.58 1kvz s GLU 63 CO 0.07 0.09 0.03 -0.06 0.02 0.00 0.00 175.26 175.41 1kvz s PHE 64 N 0.73 2.27 0.36 1.61 0.08 -1.09 -4.83 117.98 117.11 1kvz s PHE 64 Ca 0.37 -0.80 -0.26 0.00 0.12 0.00 0.00 56.93 56.35 1kvz s PHE 64 Cb -0.18 -1.58 -0.09 0.00 -0.57 0.00 0.00 43.02 40.61 1kvz s PHE 64 CO 0.18 0.26 1.08 0.71 -0.10 0.00 0.00 175.22 177.35 1kvz s TYR 65 N -2.95 3.36 -0.12 0.36 1.51 -1.26 -2.56 117.35 115.70 1kvz s TYR 65 Ca 0.34 1.66 0.00 0.00 -1.01 0.00 0.00 57.07 58.06 1kvz s TYR 65 Cb 0.09 -3.22 0.02 0.00 -0.11 0.00 0.00 41.96 38.75 1kvz s TYR 65 CO 0.16 -0.68 -0.10 -0.51 -1.11 0.00 0.00 175.55 173.32 1kvz s LEU 66 N -2.18 1.34 -0.56 -1.29 1.43 0.15 -0.96 118.68 116.61 1kvz s LEU 66 Ca 0.53 -0.35 -0.12 0.00 -1.03 0.00 0.00 54.13 53.16 1kvz s LEU 66 Cb -0.27 -0.92 0.14 0.00 0.03 0.00 0.00 46.19 45.17 1kvz s LEU 66 CO 0.34 -0.09 0.47 0.00 0.23 0.00 0.00 176.35 177.30 1kvz s ALA 67 N 1.56 3.60 0.38 4.21 0.00 -0.61 -1.81 121.76 129.09 1kvz s ALA 67 Ca 0.03 -2.69 0.04 0.00 0.00 0.00 0.00 51.96 49.34 1kvz s ALA 67 Cb -0.13 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.90 1kvz s ALA 67 CO -0.08 -2.01 0.55 -1.83 0.00 0.00 0.00 175.76 172.39 1kvz s GLU 68 N 1.20 3.08 -0.17 0.00 -1.05 -0.40 -0.68 118.70 120.68 1kvz s GLU 68 Ca 0.07 -0.81 -0.03 0.00 -0.15 0.00 0.00 54.97 54.04 1kvz s GLU 68 Cb -0.25 -2.71 0.06 0.00 -0.44 0.00 0.00 34.13 30.78 1kvz s GLU 68 CO -0.01 -0.09 0.05 0.00 0.95 0.00 0.00 175.26 176.17 1kvz s ASN 70 N 1.98 5.44 -0.30 0.00 3.84 -0.98 -0.76 114.94 124.16 1kvz s ASN 70 Ca 0.01 0.01 -0.29 0.00 0.21 0.00 0.00 52.86 52.80 1kvz s ASN 70 Cb -0.16 -1.93 -0.00 0.00 -0.55 0.00 0.00 41.25 38.60 1kvz s ASN 70 CO -0.08 0.15 1.40 -0.69 -2.79 0.00 0.00 177.10 175.09 1kvz s VAL 71 N 0.51 3.99 0.55 -5.21 1.01 -0.60 -1.88 120.40 118.76 1kvz s VAL 71 Ca 0.02 1.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.89 1kvz s VAL 71 Cb -0.13 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.15 1kvz s VAL 71 CO 0.01 -0.47 1.37 -0.54 0.00 0.00 0.00 175.10 175.48 1kvz s LYS 72 N 4.41 3.13 0.56 2.72 1.02 -0.54 -4.97 119.74 126.08 1kvz s LYS 72 Ca 0.61 2.27 -0.14 0.00 0.02 0.00 0.00 55.97 58.73 1kvz s LYS 72 Cb -0.18 -2.27 -0.06 0.00 -0.52 0.00 0.00 37.83 34.80 1kvz s LYS 72 CO 0.26 -1.21 1.01 -1.25 -0.92 0.00 0.00 175.35 173.24 1kvz s PRO 73 N -2.90 3.77 -1.72 -1.68 0.04 -1.26 -3.80 135.00 127.45 1kvz s PRO 73 Ca 0.71 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.62 1kvz s PRO 73 Cb -0.41 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.02 1kvz s PRO 73 CO 0.49 -0.42 0.00 0.54 0.04 0.00 0.00 177.00 177.65 1kvz n ARG 74 N -2.12 -1.53 -3.99 4.56 5.12 -1.26 -4.98 116.66 112.46 1kvz n ARG 74 Ca 0.06 0.98 -0.13 0.00 -1.93 0.00 0.00 57.85 56.83 1kvz n ARG 74 Cb 0.54 -5.53 -0.13 0.00 -1.16 0.00 0.00 32.46 26.18 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 -4.81 0.22 -1.01 5.56 1.02 -1.25 -5.09 119.74 114.39 1kvz s LYS 75 Ca 0.00 -0.23 -0.23 0.00 0.02 0.00 0.00 55.97 55.53 1kvz s LYS 75 Cb 0.00 -0.13 0.04 0.00 -0.52 0.00 0.00 37.83 37.22 1kvz s LYS 75 CO 0.00 0.03 1.52 -1.25 -0.92 0.00 0.00 175.35 174.73 1kvz s PRO 76 N -0.43 3.46 -0.69 -1.68 0.04 -1.26 -4.43 135.00 130.01 1kvz s PRO 76 Ca -0.03 -1.03 -0.07 0.00 0.04 0.00 0.00 61.00 59.91 1kvz s PRO 76 Cb -0.03 -5.32 0.01 0.00 0.04 0.00 0.00 34.50 29.19 1kvz s PRO 76 CO -0.00 -2.36 0.65 0.00 0.04 0.00 0.00 177.00 175.32 1kvz s LYS 78 N -3.60 2.29 0.14 0.00 -0.14 -1.26 -5.00 119.74 112.18 1kvz s LYS 78 Ca 0.08 -0.57 -0.00 0.00 -1.36 0.00 0.00 55.97 54.12 1kvz s LYS 78 Cb -0.01 -2.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.08 1kvz s LYS 78 CO 0.82 -0.14 0.31 0.71 -0.76 0.00 0.00 175.35 176.29 1kvz s TYR 79 N 1.22 3.49 -0.09 3.18 2.02 -1.26 -1.46 117.35 124.44 1kvz s TYR 79 Ca -0.01 0.28 0.02 0.00 -0.37 0.00 0.00 57.07 56.99 1kvz s TYR 79 Cb -0.14 -1.80 0.01 0.00 -0.40 0.00 0.00 41.96 39.64 1kvz s TYR 79 CO -0.06 0.48 -0.15 0.15 -1.57 0.00 0.00 175.55 174.40 1kvz s LYS 80 N -3.01 2.12 0.18 -0.62 -0.14 -0.79 -4.87 119.74 112.61 1kvz s LYS 80 Ca 0.37 -0.54 -0.30 0.00 -1.36 0.00 0.00 55.97 54.14 1kvz s LYS 80 Cb -0.12 -1.77 -0.08 0.00 -1.68 0.00 0.00 37.83 34.19 1kvz s LYS 80 CO 0.28 -0.02 0.96 -0.51 -0.76 0.00 0.00 175.35 175.30 1kvz s LEU 81 N 0.84 4.58 -0.04 3.17 1.02 -1.26 -2.33 118.68 124.66 1kvz s LEU 81 Ca -0.10 1.90 -0.01 0.00 0.02 0.00 0.00 54.13 55.93 1kvz s LEU 81 Cb -0.15 -3.60 0.03 0.00 0.02 0.00 0.00 46.19 42.48 1kvz s LEU 81 CO 0.01 0.04 0.04 -0.75 0.02 0.00 0.00 176.35 175.72 1kvz s LYS 82 N -0.66 0.04 -0.01 1.70 2.47 -0.68 -4.98 119.74 117.62 1kvz s LYS 82 Ca 0.44 0.29 -0.04 0.00 -1.56 0.00 0.00 55.97 55.10 1kvz s LYS 82 Cb -0.25 -0.52 -0.04 0.00 -1.46 0.00 0.00 37.83 35.55 1kvz s LYS 82 CO 0.31 -0.29 0.20 -1.59 0.16 0.00 0.00 175.35 174.14 1kvz s LYS 83 N 1.88 3.46 0.29 4.03 0.00 -1.26 -1.27 119.74 126.88 1kvz s LYS 83 Ca 0.02 -0.26 -0.20 0.00 0.00 0.00 0.00 55.97 55.52 1kvz s LYS 83 Cb -0.12 -3.10 0.05 0.00 0.00 0.00 0.00 37.83 34.65 1kvz s LYS 83 CO -0.03 0.68 0.82 -1.54 0.00 0.00 0.00 175.35 175.27 1kvz s SER 84 N -1.84 -0.12 -0.11 0.03 1.04 -0.75 -4.94 113.70 107.01 1kvz s SER 84 Ca 0.27 -0.78 -0.00 0.00 0.48 0.00 0.00 55.95 55.91 1kvz s SER 84 Cb -0.13 0.71 0.02 0.00 0.10 0.00 0.00 66.02 66.73 1kvz s SER 84 CO 0.17 -1.37 -0.08 -0.44 0.98 0.00 0.00 173.24 172.50 1kvz s SER 85 N -3.03 2.15 0.08 7.02 0.01 -1.26 0.33 113.70 118.99 1kvz s SER 85 Ca 0.14 -0.30 -0.25 0.00 1.31 0.00 0.00 55.95 56.85 1kvz s SER 85 Cb -0.05 -0.84 0.09 0.00 0.21 0.00 0.00 66.02 65.43 1kvz s SER 85 CO 0.08 -0.11 1.17 0.21 0.41 0.00 0.00 173.24 175.00 1kvz s ASN 86 N 1.64 0.01 0.53 2.44 2.47 -1.06 -4.92 114.94 116.05 1kvz s ASN 86 Ca 0.04 -0.44 0.08 0.00 0.42 0.00 0.00 52.86 52.96 1kvz s ASN 86 Cb -0.13 0.32 0.06 0.00 -1.45 0.00 0.00 41.25 40.05 1kvz s ASN 86 CO -0.07 -0.63 0.74 -0.13 -3.72 0.00 0.00 177.10 173.28 1kvz s ARG 87 N -2.04 2.44 -0.01 0.43 0.52 -1.26 -2.67 118.95 116.36 1kvz s ARG 87 Ca 0.27 -1.46 -0.01 0.00 -0.52 0.00 0.00 55.73 54.00 1kvz s ARG 87 Cb -0.02 -2.66 0.00 0.00 0.52 0.00 0.00 34.95 32.79 1kvz s ARG 87 CO 0.02 -0.71 0.03 0.96 0.02 0.00 0.00 175.30 175.63 1kvz s ILE 88 N -2.60 0.01 -0.25 1.52 -4.36 -1.26 -2.59 121.20 111.66 1kvz s ILE 88 Ca 0.60 -0.08 -0.12 0.00 -0.26 0.00 0.00 60.65 60.79 1kvz s ILE 88 Cb -0.07 -0.08 -0.05 0.00 1.25 0.00 0.00 42.46 43.51 1kvz s ILE 88 CO 0.37 -0.04 0.24 0.00 0.24 0.00 0.00 174.94 175.75 1kvz s ILE 90 N 1.50 0.86 -0.37 0.00 -4.36 0.31 -0.09 121.20 119.05 1kvz s ILE 90 Ca 0.10 -1.62 -0.19 0.00 -0.26 0.00 0.00 60.65 58.68 1kvz s ILE 90 Cb -0.15 -1.32 0.01 0.00 1.25 0.00 0.00 42.46 42.24 1kvz s ILE 90 CO 0.08 -0.59 0.57 -0.60 0.24 0.00 0.00 174.94 174.64 1kvz s ARG 91 N -2.81 3.53 -0.06 0.37 3.52 -0.77 -0.90 118.95 121.83 1kvz s ARG 91 Ca 0.05 -0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.47 1kvz s ARG 91 Cb -0.02 -3.85 -0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1kvz s ARG 91 CO -0.01 -0.75 -0.04 0.00 -0.81 0.00 0.00 175.30 173.68 1kvz s GLU 93 N -0.99 0.84 -1.88 0.00 -1.05 -1.10 -0.96 118.70 113.56 1kvz s GLU 93 Ca 0.14 0.47 0.00 0.00 -0.15 0.00 0.00 54.97 55.43 1kvz s GLU 93 Cb -0.11 0.40 0.00 0.00 -0.44 0.00 0.00 34.13 33.98 1kvz s GLU 93 CO 0.03 -0.19 0.00 0.72 0.95 0.00 0.00 175.26 176.77 1kvz n HIS 94 N 1.83 -0.75 -3.02 4.83 8.25 -0.29 -1.46 115.22 124.60 1kvz n HIS 94 Ca -0.17 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.11 1kvz n HIS 94 Cb 0.56 -3.85 0.04 0.00 1.12 0.00 0.00 29.99 27.86 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 -2.85 -4.70 -3.39 -0.41 1.02 0.46 -4.97 120.64 105.80 1kvz n GLU 95 Ca -0.24 0.71 -0.07 0.00 -0.02 0.00 0.00 57.16 57.54 1kvz n GLU 95 Cb 0.69 -5.21 -0.07 0.00 -0.02 0.00 0.00 31.44 26.83 1kvz n GLU 95 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1kvz s LEU 96 N -5.62 -0.77 -0.53 -4.62 0.05 -0.54 -4.72 118.68 101.93 1kvz s LEU 96 Ca 0.31 0.53 -0.28 0.00 0.05 0.00 0.00 54.13 54.75 1kvz s LEU 96 Cb -0.14 1.37 0.01 0.00 -2.05 0.00 0.00 46.19 45.39 1kvz s LEU 96 CO 0.39 -0.28 1.40 -2.16 -0.55 0.00 0.00 176.35 175.16 1kvz s PRO 97 N 2.62 3.36 0.01 1.48 0.04 -1.26 -2.72 135.00 138.53 1kvz s PRO 97 Ca 0.10 0.53 0.21 0.00 0.04 0.00 0.00 61.00 61.88 1kvz s PRO 97 Cb -0.15 -4.10 -0.22 0.00 0.04 0.00 0.00 34.50 30.07 1kvz s PRO 97 CO -0.16 -1.86 0.59 1.33 0.04 0.00 0.00 177.00 176.94 1kvz n VAL 98 N 6.90 0.54 -4.43 -0.36 0.24 -0.95 -4.77 118.33 115.50 1kvz n VAL 98 Ca 0.13 -0.60 -0.25 0.00 -2.04 0.00 0.00 64.34 61.58 1kvz n VAL 98 Cb 0.49 -0.27 -0.10 0.00 -1.47 0.00 0.00 33.84 32.49 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 -3.23 2.34 -0.35 6.34 3.76 -1.24 -4.57 115.29 118.33 1kvz s HIS 99 Ca -0.06 -0.33 -0.10 0.00 -0.15 0.00 0.00 55.06 54.42 1kvz s HIS 99 Cb 0.11 -1.08 0.02 0.00 1.11 0.00 0.00 32.58 32.74 1kvz s HIS 99 CO 0.86 0.62 0.18 0.12 -0.85 0.00 0.00 174.74 175.66 1kvz s PHE 100 N -2.14 3.23 -0.04 1.40 5.36 -1.26 -1.85 117.98 122.68 1kvz s PHE 100 Ca 0.26 -0.94 -0.25 0.00 -0.96 0.00 0.00 56.93 55.05 1kvz s PHE 100 Cb -0.06 -2.40 -0.22 0.00 -0.34 0.00 0.00 43.02 40.00 1kvz s PHE 100 CO 0.13 -0.62 1.10 0.00 -1.46 0.00 0.00 175.22 174.37 1kvz h ALA 101 N 8.39 0.05 0.00 11.12 0.00 -0.81 -3.48 119.26 134.53 1kvz h ALA 101 Ca -0.27 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1kvz h ALA 101 Cb 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1kvz h ALA 101 CO 0.65 0.01 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1kvz n GLY 102 N 0.81 -0.87 3.13 0.00 0.00 -0.81 -4.88 105.19 102.58 1kvz n GLY 102 Ca -0.09 -0.79 -0.23 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.00 1.21 0.00 1.61 0.11 -1.26 -0.83 120.40 118.25 1kvz s VAL 103 Ca 0.00 -0.65 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1kvz s VAL 103 Cb 0.00 -1.01 0.00 0.00 -1.53 0.00 0.00 36.38 33.84 1kvz s VAL 103 CO 0.00 0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.72 1kvz n GLY 104 N 2.73 0.88 3.64 6.54 0.00 -1.07 -4.75 105.19 113.17 1kvz n GLY 104 Ca -0.15 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 1kvz n GLY 104 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kvz s ILE 105 N 0.00 3.26 -0.22 -0.61 1.01 -1.26 -4.90 121.20 118.48 1kvz s ILE 105 Ca 0.00 -1.92 0.01 0.00 0.00 0.00 0.00 60.65 58.74 1kvz s ILE 105 Cb 0.00 -2.83 0.05 0.00 0.01 0.00 0.00 42.46 39.70 1kvz s ILE 105 CO 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 174.94 174.54