#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 2.46 0.09 0.03 1.11 -1.26 -4.93 119.66 117.16 1kvz s GLN 2 Ca 0.00 -0.63 0.02 0.00 0.01 0.00 0.00 55.36 54.76 1kvz s GLN 2 Cb 0.00 -2.16 -0.01 0.00 -1.01 0.00 0.00 33.01 29.83 1kvz s GLN 2 CO 0.00 -0.18 0.08 -0.25 0.01 0.00 0.00 175.29 174.96 1kvz n ASP 3 N 4.57 -0.21 -0.23 5.90 9.92 -1.26 -4.78 116.55 130.46 1kvz n ASP 3 Ca -0.18 -1.58 0.20 0.00 -0.53 0.00 0.00 54.79 52.70 1kvz n ASP 3 Cb 0.50 0.47 0.54 0.00 -0.64 0.00 0.00 41.12 42.00 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 1.29 0.46 -0.45 1.24 2.91 -1.88 0.22 115.95 119.73 1kvz h TRP 4 Ca -0.06 0.01 -0.07 0.00 1.13 0.00 0.00 58.89 59.90 1kvz h TRP 4 Cb 0.32 -0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 28.82 1kvz h TRP 4 CO 0.00 0.12 0.02 0.00 -1.03 0.00 0.00 178.44 177.55 1kvz h ALA 5 N 1.61 0.61 -0.13 2.65 0.00 -1.95 0.22 119.26 122.27 1kvz h ALA 5 Ca 0.46 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1kvz h ALA 5 Cb 1.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 1kvz h ALA 5 CO -0.15 0.39 -0.09 1.15 0.00 0.00 0.00 179.25 180.55 1kvz h THR 6 N 0.64 1.33 0.00 0.00 2.02 -1.14 -2.62 112.91 113.14 1kvz h THR 6 Ca 0.13 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.13 1kvz h THR 6 Cb 0.47 1.84 -0.00 0.00 -1.74 0.00 0.00 68.15 68.72 1kvz h THR 6 CO 0.02 0.34 -0.01 0.15 0.37 0.00 0.00 175.52 176.39 1kvz h PHE 7 N -0.09 0.00 0.15 3.16 3.57 -0.62 0.34 116.94 123.46 1kvz h PHE 7 Ca 0.02 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1kvz h PHE 7 Cb 0.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.32 1kvz h PHE 7 CO 0.08 0.01 -0.07 -0.22 -2.23 0.00 0.00 178.31 175.88 1kvz h LYS 8 N 0.00 -0.19 0.00 1.11 3.11 -0.19 0.22 116.57 120.63 1kvz h LYS 8 Ca -0.00 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1kvz h LYS 8 Cb 0.02 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.30 1kvz h LYS 8 CO 0.00 -0.01 -0.09 0.87 -2.81 0.00 0.00 179.45 177.42 1kvz h LYS 9 N -0.34 0.00 0.03 1.90 1.79 -1.23 -1.58 116.57 117.14 1kvz h LYS 9 Ca -0.02 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.32 1kvz h LYS 9 Cb 0.27 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.91 1kvz h LYS 9 CO 0.03 0.00 -0.68 0.87 -1.08 0.00 0.00 179.45 178.59 1kvz h LYS 10 N 0.00 0.06 0.00 3.15 1.79 -0.13 -3.42 116.57 118.01 1kvz h LYS 10 Ca 0.00 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.37 1kvz h LYS 10 Cb 0.93 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.62 1kvz h LYS 10 CO 0.00 1.05 0.00 0.72 -1.08 0.00 0.00 179.45 180.14 1kvz n HIS 11 N -4.42 0.00 -4.38 -1.35 8.25 0.76 -4.17 115.22 109.91 1kvz n HIS 11 Ca -0.20 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 56.92 1kvz n HIS 11 Cb 0.63 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.71 2.94 0.00 2.41 1.43 -0.59 -0.88 118.68 123.28 1kvz s LEU 12 Ca 0.00 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1kvz s LEU 12 Cb 0.00 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.51 1kvz s LEU 12 CO 0.00 0.11 0.00 0.42 0.23 0.00 0.00 176.35 177.11 1kvz s THR 13 N 0.72 0.05 -0.25 5.49 -4.23 -0.85 -4.36 115.64 112.21 1kvz s THR 13 Ca -0.03 -0.40 0.13 0.00 -1.18 0.00 0.00 61.69 60.21 1kvz s THR 13 Cb -0.15 -0.14 0.60 0.00 1.34 0.00 0.00 72.50 74.15 1kvz s THR 13 CO 0.02 -0.22 1.56 -0.90 -0.54 0.00 0.00 174.62 174.54 1kvz n ASP 14 N 2.40 3.92 -3.66 3.99 5.75 -1.26 -4.08 116.55 123.62 1kvz n ASP 14 Ca -0.17 -3.24 -0.06 0.00 -0.01 0.00 0.00 54.79 51.31 1kvz n ASP 14 Cb 0.58 -0.63 -0.07 0.00 -1.03 0.00 0.00 41.12 39.96 1kvz n ASP 14 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1kvz s THR 15 N -2.97 -0.70 0.36 2.12 -4.23 -1.26 -5.02 115.64 103.94 1kvz s THR 15 Ca 0.47 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 61.12 1kvz s THR 15 Cb 0.39 -0.80 0.20 0.00 1.34 0.00 0.00 72.50 73.62 1kvz s THR 15 CO 0.08 0.04 1.94 -0.25 -0.54 0.00 0.00 174.62 175.89 1kvz h TRP 16 N 7.98 0.55 -2.47 3.99 7.01 -1.97 -3.35 115.95 127.68 1kvz h TRP 16 Ca -0.19 -0.03 -0.60 0.00 2.11 0.00 0.00 58.89 60.18 1kvz h TRP 16 Cb 1.12 -0.17 -0.12 0.00 -2.10 0.00 0.00 29.16 27.88 1kvz h TRP 16 CO 0.22 0.47 0.77 -0.51 -2.79 0.00 0.00 178.44 176.60 1kvz s ASP 17 N -6.71 6.21 0.25 2.65 1.11 -1.26 -4.79 116.67 114.14 1kvz s ASP 17 Ca -0.08 -0.91 0.05 0.00 0.18 0.00 0.00 52.55 51.79 1kvz s ASP 17 Cb 0.16 -2.47 -0.03 0.00 1.07 0.00 0.00 42.92 41.66 1kvz s ASP 17 CO 0.75 -1.55 0.38 -0.69 1.18 0.00 0.00 175.17 175.25 1kvz s VAL 18 N 4.54 5.09 -0.41 -1.27 1.01 -1.26 -5.08 120.40 123.02 1kvz s VAL 18 Ca 0.28 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1kvz s VAL 18 Cb -0.13 -3.80 0.11 0.00 0.00 0.00 0.00 36.38 32.57 1kvz s VAL 18 CO 0.09 -0.31 0.17 -1.81 0.00 0.00 0.00 175.10 173.24 1kvz s ASP 19 N -4.01 4.94 0.10 3.32 1.11 -1.26 -4.96 116.67 115.91 1kvz s ASP 19 Ca 0.36 -2.27 -0.16 0.00 0.18 0.00 0.00 52.55 50.66 1kvz s ASP 19 Cb -0.09 -1.73 -0.06 0.00 1.07 0.00 0.00 42.92 42.12 1kvz s ASP 19 CO 0.29 -0.42 1.51 0.00 1.18 0.00 0.00 175.17 177.73 1kvz n ASP 21 N -4.44 0.00 -0.09 0.00 8.00 -1.26 -1.32 116.55 117.44 1kvz n ASP 21 Ca -0.02 0.49 -0.11 0.00 0.71 0.00 0.00 54.79 55.85 1kvz n ASP 21 Cb 0.33 -0.49 -0.12 0.00 -0.02 0.00 0.00 41.12 40.82 1kvz n ASP 21 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1kvz n ASN 22 N -1.49 1.35 -0.13 -2.24 2.85 -1.10 -4.56 115.26 109.94 1kvz n ASN 22 Ca 0.02 -0.05 -0.27 0.00 -0.11 0.00 0.00 54.58 54.18 1kvz n ASN 22 Cb 0.10 0.43 -0.10 0.00 1.24 0.00 0.00 39.78 41.45 1kvz n ASN 22 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 1kvz n LEU 23 N -2.83 2.11 -0.17 1.20 7.99 -1.09 -4.44 117.00 119.77 1kvz n LEU 23 Ca -0.32 0.24 -0.01 0.00 -0.01 0.00 0.00 56.01 55.91 1kvz n LEU 23 Cb 1.00 -0.81 0.07 0.00 -0.11 0.00 0.00 43.42 43.57 1kvz n LEU 23 CO 0.31 0.63 0.86 -0.03 -1.51 0.00 0.00 177.39 177.65 1kvz h MET 24 N -0.79 0.14 0.00 3.23 4.05 -1.43 -1.40 114.93 118.73 1kvz h MET 24 Ca -0.67 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.75 1kvz h MET 24 Cb 1.65 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.42 1kvz h MET 24 CO -0.36 0.09 0.00 -0.35 0.23 0.00 0.00 176.91 176.53 1kvz n PRO 25 N -5.22 0.82 -1.40 0.39 -0.04 -1.26 0.99 135.00 129.28 1kvz n PRO 25 Ca 0.06 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.41 1kvz n PRO 25 Cb 0.29 -1.26 0.07 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.76 0.00 0.22 0.52 -1.04 -0.53 -4.67 114.28 108.02 1kvz n THR 26 Ca 0.10 -0.68 0.12 0.00 -2.04 0.00 0.00 64.05 61.55 1kvz n THR 26 Cb 0.05 -1.29 0.16 0.00 -1.82 0.00 0.00 70.33 67.43 1kvz n THR 26 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1kvz h SER 27 N -0.40 0.00 -0.05 8.00 4.64 -1.88 0.62 113.55 124.48 1kvz h SER 27 Ca -0.17 -0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.02 1kvz h SER 27 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1kvz h SER 27 CO 0.16 0.00 -0.39 0.25 -0.87 0.00 0.00 176.83 175.98 1kvz h LEU 28 N 0.00 0.59 0.00 5.97 5.85 -1.92 -3.28 115.31 122.52 1kvz h LEU 28 Ca 0.00 -0.26 -0.21 0.00 0.84 0.00 0.00 57.88 58.25 1kvz h LEU 28 Cb 0.99 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1kvz h LEU 28 CO 0.00 0.92 -1.91 0.49 -0.34 0.00 0.00 178.44 177.60 1kvz n PHE 29 N -4.04 0.00 -3.73 1.25 3.72 -1.22 -5.02 117.46 108.42 1kvz n PHE 29 Ca -0.02 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.12 1kvz n PHE 29 Cb 0.51 -0.63 0.06 0.00 -0.94 0.00 0.00 39.48 38.48 1kvz n PHE 29 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1kvz n ASP 30 N -2.43 -5.46 -3.70 4.37 8.00 0.22 -2.47 116.55 115.08 1kvz n ASP 30 Ca -0.19 -0.65 -0.21 0.00 0.71 0.00 0.00 54.79 54.44 1kvz n ASP 30 Cb 0.86 -4.52 0.03 0.00 -0.02 0.00 0.00 41.12 37.47 1kvz n ASP 30 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kvz s LYS 32 N -5.98 0.69 0.06 0.00 -0.14 -1.03 -4.96 119.74 108.38 1kvz s LYS 32 Ca 0.01 0.92 -0.26 0.00 -1.36 0.00 0.00 55.97 55.27 1kvz s LYS 32 Cb -0.00 -1.74 -0.17 0.00 -1.68 0.00 0.00 37.83 34.24 1kvz s LYS 32 CO 0.81 -2.66 1.60 0.38 -0.76 0.00 0.00 175.35 174.72 1kvz h ASP 33 N -1.86 -0.28 -4.96 2.83 2.03 -1.92 -3.45 116.42 108.81 1kvz h ASP 33 Ca -0.51 -0.05 0.08 0.00 -0.73 0.00 0.00 57.03 55.82 1kvz h ASP 33 Cb 1.29 0.07 -0.11 0.00 -0.83 0.00 0.00 39.33 39.76 1kvz h ASP 33 CO 0.52 -0.12 0.37 -1.59 -1.03 0.00 0.00 179.24 177.39 1kvz s LYS 34 N -5.79 1.19 -0.18 4.15 -2.85 -1.26 -2.19 119.74 112.80 1kvz s LYS 34 Ca -0.15 -0.54 -0.08 0.00 -1.00 0.00 0.00 55.97 54.20 1kvz s LYS 34 Cb 0.04 0.48 0.07 0.00 -2.06 0.00 0.00 37.83 36.37 1kvz s LYS 34 CO 0.63 -0.53 0.42 -0.80 0.10 0.00 0.00 175.35 175.17 1kvz s ASN 35 N -2.73 -0.42 -0.32 0.03 -0.87 -0.88 -4.97 114.94 104.77 1kvz s ASN 35 Ca 0.07 0.95 -0.12 0.00 -1.57 0.00 0.00 52.86 52.18 1kvz s ASN 35 Cb -0.02 1.02 -0.03 0.00 -0.02 0.00 0.00 41.25 42.20 1kvz s ASN 35 CO -0.05 -0.21 0.22 -0.89 -2.57 0.00 0.00 177.10 173.60 1kvz s THR 36 N 1.90 5.28 0.27 1.60 2.01 -1.26 -0.78 115.64 124.66 1kvz s THR 36 Ca -0.06 -0.10 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1kvz s THR 36 Cb -0.10 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 68.74 1kvz s THR 36 CO -0.13 0.07 0.39 -0.36 -0.69 0.00 0.00 174.62 173.90 1kvz s PHE 37 N 1.73 3.37 -0.03 4.92 0.08 0.04 -4.42 117.98 123.67 1kvz s PHE 37 Ca 0.06 -0.06 0.05 0.00 0.12 0.00 0.00 56.93 57.10 1kvz s PHE 37 Cb -0.17 -1.68 -0.03 0.00 -0.57 0.00 0.00 43.02 40.57 1kvz s PHE 37 CO 0.11 0.32 -0.17 0.42 -0.10 0.00 0.00 175.22 175.80 1kvz s ILE 38 N -2.04 2.86 -1.10 0.64 -1.09 -0.06 -2.01 121.20 118.40 1kvz s ILE 38 Ca 0.37 -0.84 -0.05 0.00 -2.23 0.00 0.00 60.65 57.90 1kvz s ILE 38 Cb -0.09 -2.11 0.29 0.00 -1.58 0.00 0.00 42.46 38.97 1kvz s ILE 38 CO 0.30 0.56 1.54 0.00 -1.23 0.00 0.00 174.94 176.10 1kvz n TYR 39 N 2.24 2.29 -4.30 3.97 9.36 -0.76 -2.01 117.16 127.95 1kvz n TYR 39 Ca -0.17 -2.58 -0.20 0.00 3.32 0.00 0.00 57.90 58.27 1kvz n TYR 39 Cb 0.52 -1.33 -0.08 0.00 -0.63 0.00 0.00 39.34 37.82 1kvz n TYR 39 CO 0.00 0.00 0.00 -1.54 0.22 0.00 0.00 176.86 175.54 1kvz s SER 40 N -1.52 1.77 0.21 2.98 1.04 -1.26 -4.56 113.70 112.36 1kvz s SER 40 Ca 0.32 -1.75 0.07 0.00 0.48 0.00 0.00 55.95 55.07 1kvz s SER 40 Cb 0.06 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 1kvz s SER 40 CO 0.10 -1.05 0.10 -0.76 0.98 0.00 0.00 173.24 172.60 1kvz s LEU 41 N -3.39 3.58 0.00 2.42 1.43 -1.26 -4.67 118.68 116.79 1kvz s LEU 41 Ca 0.39 -0.32 0.20 0.00 -1.03 0.00 0.00 54.13 53.37 1kvz s LEU 41 Cb 0.02 -2.16 0.88 0.00 0.03 0.00 0.00 46.19 44.96 1kvz s LEU 41 CO 0.26 0.03 1.64 -0.81 0.23 0.00 0.00 176.35 177.71 1kvz n PRO 42 N -0.63 0.04 0.23 1.29 -0.04 -1.26 -2.56 135.00 132.06 1kvz n PRO 42 Ca -0.08 0.15 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 1kvz n PRO 42 Cb 0.56 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 3.44 -0.62 2.00 0.55 0.00 -1.96 -0.05 103.07 106.42 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 -0.23 -0.70 -0.56 0.00 0.00 0.00 176.54 175.05 1kvz h PRO 44 N -0.67 0.00 0.40 4.80 0.13 -1.98 -1.59 132.00 133.08 1kvz h PRO 44 Ca -0.06 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.05 1kvz h PRO 44 Cb 0.46 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1kvz h PRO 44 CO 0.10 0.70 -0.19 0.28 -0.23 0.00 0.00 178.00 178.66 1kvz h VAL 45 N 0.00 0.00 0.00 1.56 2.07 -1.57 -3.10 116.25 115.21 1kvz h VAL 45 Ca -0.01 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 1kvz h VAL 45 Cb 1.44 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.21 1kvz h VAL 45 CO 0.09 0.00 -0.09 0.50 0.02 0.00 0.00 177.57 178.09 1kvz h LYS 46 N -0.98 0.00 -0.61 1.57 3.64 -1.13 -2.24 116.57 116.82 1kvz h LYS 46 Ca -0.06 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 1kvz h LYS 46 Cb 0.41 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 1kvz h LYS 46 CO 0.09 0.09 0.41 0.00 -2.27 0.00 0.00 179.45 177.77 1kvz h ALA 47 N 1.91 1.67 -0.56 5.00 0.00 -1.26 -0.96 119.26 125.04 1kvz h ALA 47 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1kvz h ALA 47 Cb 0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1kvz h ALA 47 CO 0.01 0.27 0.25 -0.07 0.00 0.00 0.00 179.25 179.71 1kvz h LEU 48 N 0.73 0.72 -0.00 0.00 3.38 -1.33 -1.41 115.31 117.40 1kvz h LEU 48 Ca 0.24 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1kvz h LEU 48 Cb 0.07 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1kvz h LEU 48 CO -0.07 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.10 1kvz n ARG 50 N -2.32 0.59 0.00 0.00 0.63 -0.53 -0.23 116.66 114.79 1kvz n ARG 50 Ca 0.05 -0.60 0.00 0.00 -0.92 0.00 0.00 57.85 56.39 1kvz n ARG 50 Cb 0.44 -3.36 0.00 0.00 0.45 0.00 0.00 32.46 29.99 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 6.54 1.07 3.75 5.14 0.00 -1.26 -5.05 105.19 115.36 1kvz n GLY 51 Ca 0.47 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.50 5.15 -0.03 1.61 1.01 0.68 -4.95 120.40 123.37 1kvz s VAL 52 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.90 1kvz s VAL 52 Cb 0.00 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1kvz s VAL 52 CO 0.00 0.38 -0.03 -0.38 0.00 0.00 0.00 175.10 175.08 1kvz n ILE 53 N 3.26 0.16 -2.77 2.22 -0.00 -1.26 -0.61 119.36 120.35 1kvz n ILE 53 Ca -0.09 -0.06 -0.21 0.00 -0.00 0.00 0.00 62.75 62.39 1kvz n ILE 53 Cb 0.52 -0.63 0.07 0.00 -0.00 0.00 0.00 39.64 39.60 1kvz n ILE 53 CO 0.00 0.00 0.00 -0.36 -0.00 0.00 0.00 176.55 176.19 1kvz s PHE 54 N -2.06 1.87 -0.11 1.39 0.40 -1.26 -0.48 117.98 117.73 1kvz s PHE 54 Ca -0.04 -0.38 -0.30 0.00 -0.60 0.00 0.00 56.93 55.62 1kvz s PHE 54 Cb 0.01 -2.66 -0.03 0.00 0.51 0.00 0.00 43.02 40.85 1kvz s PHE 54 CO 0.06 -1.28 1.36 -1.54 0.70 0.00 0.00 175.22 174.53 1kvz s SER 55 N -4.62 6.88 0.04 1.36 1.04 -1.23 -3.63 113.70 113.54 1kvz s SER 55 Ca 0.62 1.88 -0.01 0.00 0.48 0.00 0.00 55.95 58.93 1kvz s SER 55 Cb -0.07 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 1kvz s SER 55 CO 0.41 -0.78 -0.03 0.00 0.98 0.00 0.00 173.24 173.82 1kvz s ALA 56 N 3.35 0.41 -0.23 5.32 0.00 0.45 -4.90 121.76 126.16 1kvz s ALA 56 Ca 0.60 -1.04 -0.14 0.00 0.00 0.00 0.00 51.96 51.38 1kvz s ALA 56 Cb -0.26 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1kvz s ALA 56 CO 0.20 -0.31 0.33 0.16 0.00 0.00 0.00 175.76 176.14 1kvz s ASP 57 N -2.51 6.29 0.30 0.00 -4.77 -1.26 0.30 116.67 115.02 1kvz s ASP 57 Ca 0.01 0.33 0.10 0.00 -3.30 0.00 0.00 52.55 49.68 1kvz s ASP 57 Cb 0.03 -2.19 -0.05 0.00 -1.09 0.00 0.00 42.92 39.62 1kvz s ASP 57 CO -0.07 -0.08 -0.02 -0.69 0.70 0.00 0.00 175.17 175.01 1kvz s VAL 58 N 1.51 2.97 -0.07 2.11 1.01 0.82 -4.96 120.40 123.79 1kvz s VAL 58 Ca 0.15 -2.01 -0.03 0.00 0.00 0.00 0.00 61.98 60.09 1kvz s VAL 58 Cb -0.15 -2.74 0.04 0.00 0.00 0.00 0.00 36.38 33.53 1kvz s VAL 58 CO 0.08 -0.31 0.16 -0.76 0.00 0.00 0.00 175.10 174.27 1kvz s LEU 59 N -3.67 0.70 0.46 3.92 1.43 -1.26 -1.49 118.68 118.77 1kvz s LEU 59 Ca 0.33 0.33 -0.25 0.00 -1.03 0.00 0.00 54.13 53.50 1kvz s LEU 59 Cb -0.04 0.41 -0.08 0.00 0.03 0.00 0.00 46.19 46.52 1kvz s LEU 59 CO 0.19 -0.15 1.43 -0.94 0.23 0.00 0.00 176.35 177.11 1kvz s SER 60 N 1.15 5.83 -0.00 2.29 1.04 -0.55 -4.93 113.70 118.53 1kvz s SER 60 Ca -0.09 2.92 0.08 0.00 0.48 0.00 0.00 55.95 59.35 1kvz s SER 60 Cb -0.11 -2.65 -0.23 0.00 0.10 0.00 0.00 66.02 63.12 1kvz s SER 60 CO -0.06 -1.21 0.82 -1.13 0.98 0.00 0.00 173.24 172.64 1kvz h ASN 61 N 2.27 0.07 -4.28 7.02 -0.73 -2.00 -3.43 115.58 114.51 1kvz h ASN 61 Ca -0.51 -0.13 -0.69 0.00 1.87 0.00 0.00 56.30 56.84 1kvz h ASN 61 Cb 1.27 -0.02 -0.26 0.00 0.27 0.00 0.00 38.32 39.57 1kvz h ASN 61 CO 0.61 1.11 -0.83 -0.44 -0.37 0.00 0.00 177.43 177.51 1kvz s SER 62 N -6.41 3.56 0.12 1.15 0.01 -1.26 -5.08 113.70 105.79 1kvz s SER 62 Ca -0.05 -0.35 -0.30 0.00 1.31 0.00 0.00 55.95 56.55 1kvz s SER 62 Cb 0.08 -0.58 -0.07 0.00 0.21 0.00 0.00 66.02 65.66 1kvz s SER 62 CO 0.82 0.32 1.23 -1.61 0.41 0.00 0.00 173.24 174.42 1kvz s GLU 63 N -0.78 4.44 0.43 12.44 2.02 -1.26 -4.72 118.70 131.26 1kvz s GLU 63 Ca 0.11 1.87 0.07 0.00 0.02 0.00 0.00 54.97 57.04 1kvz s GLU 63 Cb -0.10 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.82 1kvz s GLU 63 CO 0.00 -0.22 0.30 -0.06 0.02 0.00 0.00 175.26 175.31 1kvz s PHE 64 N 0.58 2.57 0.44 1.61 0.08 -0.89 -4.74 117.98 117.63 1kvz s PHE 64 Ca 0.57 -0.56 -0.23 0.00 0.12 0.00 0.00 56.93 56.83 1kvz s PHE 64 Cb -0.32 -2.06 -0.08 0.00 -0.57 0.00 0.00 43.02 39.98 1kvz s PHE 64 CO 0.33 -0.03 1.09 0.71 -0.10 0.00 0.00 175.22 177.22 1kvz s TYR 65 N -2.55 3.06 -0.15 0.36 1.51 -1.26 -2.44 117.35 115.88 1kvz s TYR 65 Ca 0.44 1.59 0.00 0.00 -1.01 0.00 0.00 57.07 58.09 1kvz s TYR 65 Cb -0.00 -3.22 0.03 0.00 -0.11 0.00 0.00 41.96 38.66 1kvz s TYR 65 CO 0.25 -1.01 -0.12 -0.51 -1.11 0.00 0.00 175.55 173.05 1kvz s LEU 66 N -2.95 1.66 -0.44 -1.29 1.43 0.10 -1.83 118.68 115.37 1kvz s LEU 66 Ca 0.62 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 1kvz s LEU 66 Cb -0.24 -1.11 0.09 0.00 0.03 0.00 0.00 46.19 44.96 1kvz s LEU 66 CO 0.29 -0.09 0.31 0.00 0.23 0.00 0.00 176.35 177.09 1kvz s ALA 67 N 1.52 3.37 0.30 4.21 0.00 -0.85 -1.91 121.76 128.40 1kvz s ALA 67 Ca 0.04 -2.22 0.09 0.00 0.00 0.00 0.00 51.96 49.86 1kvz s ALA 67 Cb -0.13 -2.78 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1kvz s ALA 67 CO -0.10 -1.72 0.10 -1.83 0.00 0.00 0.00 175.76 172.21 1kvz s GLU 68 N 1.46 2.42 -0.27 0.00 -1.05 -0.81 -0.78 118.70 119.68 1kvz s GLU 68 Ca 0.04 -1.43 0.02 0.00 -0.15 0.00 0.00 54.97 53.45 1kvz s GLU 68 Cb -0.24 -2.23 0.07 0.00 -0.44 0.00 0.00 34.13 31.29 1kvz s GLU 68 CO 0.02 0.25 -0.05 0.00 0.95 0.00 0.00 175.26 176.43 1kvz s ASN 70 N 1.20 5.32 -0.27 0.00 3.84 -0.96 -2.08 114.94 121.99 1kvz s ASN 70 Ca -0.03 -0.03 -0.28 0.00 0.21 0.00 0.00 52.86 52.73 1kvz s ASN 70 Cb -0.19 -1.91 0.01 0.00 -0.55 0.00 0.00 41.25 38.60 1kvz s ASN 70 CO -0.07 0.13 0.98 -0.69 -2.79 0.00 0.00 177.10 174.66 1kvz s VAL 71 N 0.65 4.67 0.64 -5.21 1.01 -0.93 -0.24 120.40 120.99 1kvz s VAL 71 Ca 0.02 1.76 -0.18 0.00 0.00 0.00 0.00 61.98 63.58 1kvz s VAL 71 Cb -0.13 -4.29 -0.02 0.00 0.00 0.00 0.00 36.38 31.94 1kvz s VAL 71 CO 0.02 -0.26 1.25 0.29 0.00 0.00 0.00 175.10 176.40 1kvz n LYS 72 N 6.41 1.12 -2.61 2.72 4.76 -0.89 -4.96 118.16 124.71 1kvz n LYS 72 Ca 0.10 0.44 -0.39 0.00 -2.87 0.00 0.00 58.31 55.59 1kvz n LYS 72 Cb 0.47 -2.48 -0.05 0.00 -1.84 0.00 0.00 35.03 31.13 1kvz n LYS 72 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 1kvz s PRO 73 N -3.25 4.57 -1.61 1.97 0.04 -1.26 -3.48 135.00 131.98 1kvz s PRO 73 Ca 0.81 1.58 -0.01 0.00 0.04 0.00 0.00 61.00 63.42 1kvz s PRO 73 Cb -0.39 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1kvz s PRO 73 CO 0.42 0.21 0.07 0.54 0.04 0.00 0.00 177.00 178.28 1kvz n ARG 74 N 0.85 -1.90 -5.09 4.56 1.74 -1.26 -5.00 116.66 110.56 1kvz n ARG 74 Ca 0.01 0.91 -0.30 0.00 -0.77 0.00 0.00 57.85 57.70 1kvz n ARG 74 Cb 0.47 -5.49 -0.15 0.00 -1.02 0.00 0.00 32.46 26.27 1kvz n ARG 74 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1kvz s LYS 75 N -5.03 1.93 -1.26 5.56 3.01 -1.23 -5.06 119.74 117.67 1kvz s LYS 75 Ca 0.03 -1.01 -0.19 0.00 -1.01 0.00 0.00 55.97 53.79 1kvz s LYS 75 Cb -0.02 -1.99 0.03 0.00 -1.01 0.00 0.00 37.83 34.85 1kvz s LYS 75 CO 0.04 0.53 1.78 -1.25 0.51 0.00 0.00 175.35 176.96 1kvz s PRO 76 N -0.93 3.61 -1.30 -1.68 0.04 -1.26 -4.19 135.00 129.28 1kvz s PRO 76 Ca 0.11 -1.76 -0.07 0.00 0.04 0.00 0.00 61.00 59.32 1kvz s PRO 76 Cb -0.10 -5.46 0.01 0.00 0.04 0.00 0.00 34.50 28.99 1kvz s PRO 76 CO 0.01 -2.68 1.13 0.00 0.04 0.00 0.00 177.00 175.50 1kvz s LYS 78 N -6.08 3.54 0.33 0.00 -0.14 -1.26 -4.91 119.74 111.22 1kvz s LYS 78 Ca 0.44 -0.22 0.03 0.00 -1.36 0.00 0.00 55.97 54.86 1kvz s LYS 78 Cb -0.20 -2.97 -0.05 0.00 -1.68 0.00 0.00 37.83 32.93 1kvz s LYS 78 CO 0.72 0.56 0.08 0.71 -0.76 0.00 0.00 175.35 176.66 1kvz s TYR 79 N -1.52 1.84 -0.02 3.18 2.02 -1.26 -2.10 117.35 119.48 1kvz s TYR 79 Ca 0.36 -1.07 -0.00 0.00 -0.37 0.00 0.00 57.07 55.98 1kvz s TYR 79 Cb -0.13 -1.18 0.03 0.00 -0.40 0.00 0.00 41.96 40.29 1kvz s TYR 79 CO 0.24 -0.13 0.03 0.21 -1.57 0.00 0.00 175.55 174.34 1kvz s LYS 80 N -3.89 -0.04 -0.09 -0.62 2.36 0.67 -4.79 119.74 113.34 1kvz s LYS 80 Ca 0.34 0.21 -0.30 0.00 -2.55 0.00 0.00 55.97 53.67 1kvz s LYS 80 Cb 0.07 -0.27 -0.02 0.00 -1.05 0.00 0.00 37.83 36.57 1kvz s LYS 80 CO 0.15 -0.18 1.07 -1.17 1.55 0.00 0.00 175.35 176.77 1kvz s LEU 81 N 1.17 4.26 -0.09 5.43 1.98 -1.26 -2.27 118.68 127.89 1kvz s LEU 81 Ca -0.08 1.63 0.02 0.00 -2.89 0.00 0.00 54.13 52.80 1kvz s LEU 81 Cb -0.13 -3.56 0.02 0.00 0.66 0.00 0.00 46.19 43.18 1kvz s LEU 81 CO -0.03 -0.49 -0.13 -0.54 -1.89 0.00 0.00 176.35 173.27 1kvz s LYS 82 N 2.05 1.97 -0.07 1.98 -0.14 -1.06 -5.00 119.74 119.46 1kvz s LYS 82 Ca 0.51 -0.48 -0.03 0.00 -1.36 0.00 0.00 55.97 54.61 1kvz s LYS 82 Cb -0.20 -1.69 -0.04 0.00 -1.68 0.00 0.00 37.83 34.22 1kvz s LYS 82 CO 0.19 -0.05 0.10 -1.59 -0.76 0.00 0.00 175.35 173.24 1kvz s LYS 83 N 0.96 3.23 0.28 1.68 -2.85 -1.26 -1.92 119.74 119.87 1kvz s LYS 83 Ca -0.08 -0.32 -0.10 0.00 -1.00 0.00 0.00 55.97 54.47 1kvz s LYS 83 Cb -0.15 -3.00 0.04 0.00 -2.06 0.00 0.00 37.83 32.66 1kvz s LYS 83 CO -0.00 0.71 0.55 0.45 0.10 0.00 0.00 175.35 177.16 1kvz n SER 84 N 1.65 -1.60 -3.69 0.03 2.88 -0.80 -4.94 113.62 107.14 1kvz n SER 84 Ca -0.16 -2.16 -0.16 0.00 -1.33 0.00 0.00 58.87 55.06 1kvz n SER 84 Cb 0.54 2.68 -0.15 0.00 -0.75 0.00 0.00 64.21 66.53 1kvz n SER 84 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1kvz s SER 85 N -2.49 0.47 0.09 -3.46 0.01 -1.26 0.02 113.70 107.08 1kvz s SER 85 Ca 0.12 0.35 -0.26 0.00 1.31 0.00 0.00 55.95 57.47 1kvz s SER 85 Cb -0.03 0.29 0.09 0.00 0.21 0.00 0.00 66.02 66.58 1kvz s SER 85 CO 0.09 -0.22 1.11 0.21 0.41 0.00 0.00 173.24 174.85 1kvz s ASN 86 N 1.99 -0.08 0.67 2.44 2.47 -1.02 -4.91 114.94 116.51 1kvz s ASN 86 Ca -0.01 -0.37 -0.02 0.00 0.42 0.00 0.00 52.86 52.89 1kvz s ASN 86 Cb -0.12 0.35 0.05 0.00 -1.45 0.00 0.00 41.25 40.09 1kvz s ASN 86 CO -0.06 -0.68 0.35 0.54 -3.72 0.00 0.00 177.10 173.54 1kvz n ARG 87 N -0.58 0.11 -3.73 0.43 1.74 -1.26 -2.10 116.66 111.28 1kvz n ARG 87 Ca -0.05 -0.79 -0.13 0.00 -0.77 0.00 0.00 57.85 56.11 1kvz n ARG 87 Cb 0.61 -0.29 -0.10 0.00 -1.02 0.00 0.00 32.46 31.66 1kvz n ARG 87 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1kvz s ILE 88 N -1.20 0.01 -0.22 0.55 -4.36 -1.26 -2.35 121.20 112.36 1kvz s ILE 88 Ca 0.22 -0.08 -0.04 0.00 -0.26 0.00 0.00 60.65 60.49 1kvz s ILE 88 Cb -0.01 -0.61 -0.01 0.00 1.25 0.00 0.00 42.46 43.08 1kvz s ILE 88 CO 0.15 -0.04 -0.04 0.00 0.24 0.00 0.00 174.94 175.24 1kvz s ILE 90 N 1.47 1.33 -0.31 0.00 -4.36 -0.56 -0.54 121.20 118.24 1kvz s ILE 90 Ca 0.05 -1.89 -0.13 0.00 -0.26 0.00 0.00 60.65 58.43 1kvz s ILE 90 Cb -0.14 -1.69 -0.03 0.00 1.25 0.00 0.00 42.46 41.84 1kvz s ILE 90 CO -0.03 -0.54 0.27 -0.60 0.24 0.00 0.00 174.94 174.28 1kvz s ARG 91 N -3.13 3.77 -0.03 0.37 3.52 -0.60 -0.13 118.95 122.71 1kvz s ARG 91 Ca 0.13 -0.36 -0.00 0.00 -0.13 0.00 0.00 55.73 55.37 1kvz s ARG 91 Cb -0.02 -3.73 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 1kvz s ARG 91 CO 0.03 -0.34 0.01 0.00 -0.81 0.00 0.00 175.30 174.19 1kvz s GLU 93 N -1.32 0.96 -1.94 0.00 -1.05 -0.96 -0.41 118.70 113.98 1kvz s GLU 93 Ca 0.17 0.38 0.00 0.00 -0.15 0.00 0.00 54.97 55.38 1kvz s GLU 93 Cb -0.11 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1kvz s GLU 93 CO 0.08 -0.27 0.00 0.72 0.95 0.00 0.00 175.26 176.74 1kvz n HIS 94 N 1.23 -0.27 -3.22 4.83 8.25 0.36 -1.76 115.22 124.63 1kvz n HIS 94 Ca -0.17 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.13 1kvz n HIS 94 Cb 0.57 -3.41 0.06 0.00 1.12 0.00 0.00 29.99 28.32 1kvz n HIS 94 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1kvz n GLU 95 N -2.56 -5.38 -3.62 -0.41 2.13 0.22 -4.98 120.64 106.04 1kvz n GLU 95 Ca -0.20 0.57 -0.03 0.00 0.66 0.00 0.00 57.16 58.16 1kvz n GLU 95 Cb 0.65 -4.82 -0.06 0.00 0.27 0.00 0.00 31.44 27.47 1kvz n GLU 95 CO 0.00 0.00 0.00 -0.48 -0.41 0.00 0.00 177.13 176.24 1kvz s LEU 96 N -5.29 -0.60 -0.17 4.31 0.05 -0.72 -4.79 118.68 111.46 1kvz s LEU 96 Ca 0.36 0.94 -0.29 0.00 0.05 0.00 0.00 54.13 55.19 1kvz s LEU 96 Cb -0.16 1.85 -0.02 0.00 -2.05 0.00 0.00 46.19 45.82 1kvz s LEU 96 CO 0.50 -0.15 1.30 -2.16 -0.55 0.00 0.00 176.35 175.29 1kvz s PRO 97 N 1.51 4.18 -0.02 1.48 0.04 -1.26 -2.27 135.00 138.66 1kvz s PRO 97 Ca -0.09 1.65 0.16 0.00 0.04 0.00 0.00 61.00 62.77 1kvz s PRO 97 Cb -0.04 -3.80 -0.24 0.00 0.04 0.00 0.00 34.50 30.46 1kvz s PRO 97 CO -0.16 -0.77 0.36 1.33 0.04 0.00 0.00 177.00 177.79 1kvz n VAL 98 N 5.49 0.00 -4.33 -0.36 0.24 -0.91 -4.43 118.33 114.03 1kvz n VAL 98 Ca 0.14 -0.36 -0.23 0.00 -2.04 0.00 0.00 64.34 61.85 1kvz n VAL 98 Cb 0.45 0.16 -0.13 0.00 -1.47 0.00 0.00 33.84 32.85 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 -3.08 1.68 -0.46 6.34 3.76 -1.24 -4.46 115.29 117.83 1kvz s HIS 99 Ca -0.05 -0.41 -0.18 0.00 -0.15 0.00 0.00 55.06 54.26 1kvz s HIS 99 Cb 0.10 -0.94 0.04 0.00 1.11 0.00 0.00 32.58 32.89 1kvz s HIS 99 CO 0.66 0.16 0.51 0.12 -0.85 0.00 0.00 174.74 175.34 1kvz s PHE 100 N -1.11 3.13 0.12 1.40 5.36 -1.26 -1.56 117.98 124.05 1kvz s PHE 100 Ca 0.05 -0.49 -0.13 0.00 -0.96 0.00 0.00 56.93 55.40 1kvz s PHE 100 Cb -0.10 -3.20 -0.08 0.00 -0.34 0.00 0.00 43.02 39.31 1kvz s PHE 100 CO 0.03 -0.85 1.42 0.00 -1.46 0.00 0.00 175.22 174.37 1kvz h ALA 101 N 8.84 0.47 0.00 11.12 0.00 -1.12 -3.48 119.26 135.08 1kvz h ALA 101 Ca -0.27 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1kvz h ALA 101 Cb 1.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1kvz h ALA 101 CO 0.88 0.58 0.00 0.41 0.00 0.00 0.00 179.25 181.11 1kvz n GLY 102 N 0.24 -0.55 3.15 0.00 0.00 -0.61 -4.95 105.19 102.48 1kvz n GLY 102 Ca -0.04 -0.97 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 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 1.27 0.00 1.61 0.11 -1.26 -1.56 120.40 117.57 1kvz s VAL 103 Ca 0.00 -0.82 0.00 0.00 -2.93 0.00 0.00 61.98 58.23 1kvz s VAL 103 Cb 0.00 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1kvz s VAL 103 CO 0.00 0.25 0.00 0.61 -3.33 0.00 0.00 175.10 172.63 1kvz n GLY 104 N 2.39 2.20 3.55 6.54 0.00 -0.99 -4.80 105.19 114.08 1kvz n GLY 104 Ca -0.16 0.02 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1kvz n GLY 104 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1kvz s ILE 105 N 0.00 1.97 0.32 -0.61 -4.36 -1.26 -4.44 121.20 112.82 1kvz s ILE 105 Ca 0.00 -2.09 0.09 0.00 -0.26 0.00 0.00 60.65 58.39 1kvz s ILE 105 Cb 0.00 -2.79 -0.05 0.00 1.25 0.00 0.00 42.46 40.88 1kvz s ILE 105 CO 0.00 -0.11 0.05 0.00 0.24 0.00 0.00 174.94 175.12