#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 2.51 0.00 2.12 -0.21 -1.26 -4.92 119.66 117.90 1kvz s GLN 2 Ca 0.00 -0.67 0.00 0.00 0.02 0.00 0.00 55.36 54.71 1kvz s GLN 2 Cb 0.00 -2.29 0.00 0.00 1.00 0.00 0.00 33.01 31.72 1kvz s GLN 2 CO 0.00 -0.24 0.00 -0.25 -2.12 0.00 0.00 175.29 172.68 1kvz n ASP 3 N 4.71 0.00 -0.14 5.90 9.92 -1.26 -4.82 116.55 130.86 1kvz n ASP 3 Ca -0.18 -0.18 0.21 0.00 -0.53 0.00 0.00 54.79 54.11 1kvz n ASP 3 Cb 0.50 0.00 0.62 0.00 -0.64 0.00 0.00 41.12 41.60 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 0.18 0.23 -0.26 1.24 2.91 -1.90 -0.49 115.95 117.86 1kvz h TRP 4 Ca 0.00 0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.01 1kvz h TRP 4 Cb 0.00 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.57 1kvz h TRP 4 CO 0.00 0.07 0.10 0.00 -1.03 0.00 0.00 178.44 177.58 1kvz h ALA 5 N 1.64 0.34 -0.15 2.65 0.00 -1.95 0.25 119.26 122.04 1kvz h ALA 5 Ca 0.37 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1kvz h ALA 5 Cb 1.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1kvz h ALA 5 CO -0.07 -0.06 -0.07 1.79 0.00 0.00 0.00 179.25 180.84 1kvz h THR 6 N 0.27 1.31 -0.15 0.00 1.35 -1.51 -2.47 112.91 111.70 1kvz h THR 6 Ca 0.09 -1.10 0.04 0.00 -0.55 0.00 0.00 66.41 64.90 1kvz h THR 6 Cb 0.19 1.71 -0.01 0.00 -1.73 0.00 0.00 68.15 68.31 1kvz h THR 6 CO -0.01 0.32 0.12 0.15 -0.25 0.00 0.00 175.52 175.86 1kvz h PHE 7 N -0.01 0.00 0.14 4.73 3.57 -1.03 0.51 116.94 124.85 1kvz h PHE 7 Ca 0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1kvz h PHE 7 Cb 0.53 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.27 1kvz h PHE 7 CO 0.06 0.00 -0.07 -0.22 -2.23 0.00 0.00 178.31 175.86 1kvz h LYS 8 N 0.00 -0.18 0.00 1.11 1.63 -0.03 0.23 116.57 119.33 1kvz h LYS 8 Ca 0.07 0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.84 1kvz h LYS 8 Cb 0.32 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.98 1kvz h LYS 8 CO -0.00 0.05 -0.22 0.87 -3.45 0.00 0.00 179.45 176.69 1kvz h LYS 9 N -0.39 0.00 0.00 1.90 1.57 -1.17 -2.05 116.57 116.43 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 0.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1kvz h LYS 9 CO 0.03 0.22 -0.37 0.87 -0.57 0.00 0.00 179.45 179.64 1kvz h LYS 10 N 0.00 0.00 0.00 3.15 1.57 0.12 -3.42 116.57 118.00 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 1.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1kvz h LYS 10 CO 0.03 0.88 0.00 0.72 -0.57 0.00 0.00 179.45 180.51 1kvz n HIS 11 N -4.58 0.00 -5.03 -1.35 8.25 0.80 -4.39 115.22 108.93 1kvz n HIS 11 Ca -0.15 -0.44 -0.29 0.00 -0.26 0.00 0.00 57.72 56.58 1kvz n HIS 11 Cb 0.49 -0.04 -0.16 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.88 1.97 0.04 2.41 1.43 -0.77 -2.10 118.68 120.77 1kvz s LEU 12 Ca 0.00 -0.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 1kvz s LEU 12 Cb 0.00 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 1kvz s LEU 12 CO 0.00 0.17 0.13 0.42 0.23 0.00 0.00 176.35 177.29 1kvz s THR 13 N 0.14 0.12 -0.23 5.49 -4.23 -0.94 -4.50 115.64 111.50 1kvz s THR 13 Ca -0.09 -1.03 0.13 0.00 -1.18 0.00 0.00 61.69 59.52 1kvz s THR 13 Cb -0.14 -0.89 0.52 0.00 1.34 0.00 0.00 72.50 73.32 1kvz s THR 13 CO 0.05 -0.57 1.45 -0.90 -0.54 0.00 0.00 174.62 174.11 1kvz n ASP 14 N 0.75 3.24 -3.58 3.99 5.68 -1.26 -3.33 116.55 122.04 1kvz n ASP 14 Ca -0.19 -3.36 -0.16 0.00 -0.50 0.00 0.00 54.79 50.58 1kvz n ASP 14 Cb 0.59 -0.59 -0.07 0.00 -1.14 0.00 0.00 41.12 39.91 1kvz n ASP 14 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 1kvz s THR 15 N -3.02 0.00 0.18 2.12 -4.23 -1.26 -5.02 115.64 104.40 1kvz s THR 15 Ca 0.43 -0.03 -0.10 0.00 -1.18 0.00 0.00 61.69 60.82 1kvz s THR 15 Cb 0.37 -0.96 0.06 0.00 1.34 0.00 0.00 72.50 73.32 1kvz s THR 15 CO 0.05 -0.02 1.64 -0.25 -0.54 0.00 0.00 174.62 175.50 1kvz h TRP 16 N 3.87 1.14 -3.59 3.99 2.91 -1.97 -3.38 115.95 118.93 1kvz h TRP 16 Ca -0.28 -0.19 -0.65 0.00 1.13 0.00 0.00 58.89 58.89 1kvz h TRP 16 Cb 1.15 -0.30 -0.15 0.00 -0.51 0.00 0.00 29.16 29.35 1kvz h TRP 16 CO 0.39 1.01 0.12 -0.51 -1.03 0.00 0.00 178.44 178.42 1kvz s ASP 17 N -6.53 6.33 0.31 2.65 1.11 -1.26 -4.64 116.67 114.64 1kvz s ASP 17 Ca -0.12 -0.32 -0.09 0.00 0.18 0.00 0.00 52.55 52.20 1kvz s ASP 17 Cb 0.13 -2.32 -0.07 0.00 1.07 0.00 0.00 42.92 41.74 1kvz s ASP 17 CO 0.85 -0.76 0.64 -0.69 1.18 0.00 0.00 175.17 176.39 1kvz s VAL 18 N 2.80 4.88 -1.35 -1.27 1.01 -1.26 -4.98 120.40 120.23 1kvz s VAL 18 Ca 0.22 0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 1kvz s VAL 18 Cb -0.14 -3.69 0.11 0.00 0.00 0.00 0.00 36.38 32.66 1kvz s VAL 18 CO 0.19 -0.30 2.33 0.47 0.00 0.00 0.00 175.10 177.79 1kvz n ASP 19 N -0.76 7.39 0.23 3.32 8.00 -1.26 -4.70 116.55 128.77 1kvz n ASP 19 Ca 0.01 -3.07 0.09 0.00 0.71 0.00 0.00 54.79 52.53 1kvz n ASP 19 Cb 0.53 -1.41 0.64 0.00 -0.02 0.00 0.00 41.12 40.87 1kvz n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1kvz h ASP 21 N 0.00 0.00 0.00 0.00 3.04 -1.92 -0.31 116.42 117.23 1kvz h ASP 21 Ca 0.03 0.00 -0.28 0.00 -3.24 0.00 0.00 57.03 53.54 1kvz h ASP 21 Cb 0.10 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 38.34 1kvz h ASP 21 CO -0.00 0.01 -2.26 -3.20 -2.04 0.00 0.00 179.24 171.75 1kvz n ASN 22 N -3.11 0.15 0.07 4.15 2.85 -0.25 -4.42 115.26 114.70 1kvz n ASN 22 Ca 0.01 0.00 0.11 0.00 -0.11 0.00 0.00 54.58 54.59 1kvz n ASN 22 Cb 0.34 1.20 0.02 0.00 1.24 0.00 0.00 39.78 42.58 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 -2.62 0.70 0.12 1.20 7.99 -0.41 -4.27 117.00 119.72 1kvz n LEU 23 Ca -0.26 0.21 -0.02 0.00 -0.01 0.00 0.00 56.01 55.93 1kvz n LEU 23 Cb 1.01 -0.08 0.12 0.00 -0.11 0.00 0.00 43.42 44.36 1kvz n LEU 23 CO 0.42 -0.10 0.44 0.00 -1.51 0.00 0.00 177.39 176.64 1kvz h MET 24 N 0.00 0.01 -0.00 3.23 -0.00 -1.26 -3.24 114.93 113.66 1kvz h MET 24 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1kvz h MET 24 Cb 0.90 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.50 1kvz h MET 24 CO 0.00 0.68 -0.08 -0.35 -0.00 0.00 0.00 176.91 177.16 1kvz n PRO 25 N -3.73 0.22 -1.17 -0.10 -0.04 -1.26 0.96 135.00 129.87 1kvz n PRO 25 Ca -0.01 -0.04 -0.28 0.00 -0.04 0.00 0.00 63.50 63.13 1kvz n PRO 25 Cb 0.67 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.85 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 -1.36 0.00 0.16 0.52 -1.04 -1.22 -4.68 114.28 106.66 1kvz n THR 26 Ca 0.10 -0.56 0.08 0.00 -2.04 0.00 0.00 64.05 61.63 1kvz n THR 26 Cb 0.30 -1.30 0.07 0.00 -1.82 0.00 0.00 70.33 67.59 1kvz n THR 26 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1kvz h SER 27 N -2.38 0.00 -0.26 8.00 0.02 -1.90 0.54 113.55 117.57 1kvz h SER 27 Ca -0.39 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.45 1kvz h SER 27 Cb 1.16 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.70 1kvz h SER 27 CO 0.26 0.19 -0.28 0.25 -1.14 0.00 0.00 176.83 176.11 1kvz h LEU 28 N 0.00 0.70 0.03 5.07 5.85 -1.93 -3.31 115.31 121.72 1kvz h LEU 28 Ca -0.02 -0.48 -0.36 0.00 0.84 0.00 0.00 57.88 57.86 1kvz h LEU 28 Cb 1.16 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1kvz h LEU 28 CO 0.02 1.04 -2.22 0.49 -0.34 0.00 0.00 178.44 177.43 1kvz n PHE 29 N -4.30 0.46 -4.32 1.25 3.72 -1.25 -4.98 117.46 108.04 1kvz n PHE 29 Ca -0.04 0.12 -0.32 0.00 -0.05 0.00 0.00 57.45 57.16 1kvz n PHE 29 Cb 0.46 -1.07 -0.10 0.00 -0.94 0.00 0.00 39.48 37.84 1kvz n PHE 29 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1kvz n ASP 30 N -3.14 0.68 -3.54 4.37 5.68 0.19 0.20 116.55 120.99 1kvz n ASP 30 Ca -0.34 -1.27 -0.20 0.00 -0.50 0.00 0.00 54.79 52.48 1kvz n ASP 30 Cb 1.06 -1.58 0.07 0.00 -1.14 0.00 0.00 41.12 39.53 1kvz n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1kvz n LYS 32 N -4.32 -2.96 -0.05 0.00 5.02 0.13 -5.01 118.16 110.96 1kvz n LYS 32 Ca -0.23 -1.03 -0.01 0.00 -2.02 0.00 0.00 58.31 55.02 1kvz n LYS 32 Cb 0.65 -1.10 -0.01 0.00 -0.02 0.00 0.00 35.03 34.56 1kvz n LYS 32 CO 0.00 0.00 0.00 0.22 -0.52 0.00 0.00 177.40 177.10 1kvz h ASP 33 N -2.48 0.00 -5.05 4.39 3.58 -1.94 -3.44 116.42 111.48 1kvz h ASP 33 Ca -0.25 -0.02 0.07 0.00 0.42 0.00 0.00 57.03 57.25 1kvz h ASP 33 Cb 0.81 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.81 1kvz h ASP 33 CO 0.16 0.57 0.28 -1.59 -2.88 0.00 0.00 179.24 175.78 1kvz s LYS 34 N -1.71 1.77 -0.14 0.28 -2.85 -1.26 -0.60 119.74 115.22 1kvz s LYS 34 Ca -0.04 -1.02 -0.29 0.00 -1.00 0.00 0.00 55.97 53.63 1kvz s LYS 34 Cb 0.00 0.58 0.08 0.00 -2.06 0.00 0.00 37.83 36.43 1kvz s LYS 34 CO 0.06 -0.82 0.73 1.21 0.10 0.00 0.00 175.35 176.63 1kvz s ASN 35 N -2.96 -0.67 -0.31 0.03 3.84 -0.83 -4.98 114.94 109.06 1kvz s ASN 35 Ca 0.12 0.97 -0.04 0.00 0.21 0.00 0.00 52.86 54.11 1kvz s ASN 35 Cb -0.05 0.87 0.04 0.00 -0.55 0.00 0.00 41.25 41.56 1kvz s ASN 35 CO 0.07 -0.45 0.05 -0.89 -2.79 0.00 0.00 177.10 173.09 1kvz s THR 36 N -0.57 3.43 0.19 -5.21 2.01 -1.26 -0.38 115.64 113.85 1kvz s THR 36 Ca -0.06 -1.18 0.02 0.00 0.31 0.00 0.00 61.69 60.78 1kvz s THR 36 Cb -0.02 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1kvz s THR 36 CO 0.06 -0.10 0.34 -0.36 -0.69 0.00 0.00 174.62 173.87 1kvz s PHE 37 N 1.35 3.48 0.12 4.92 0.08 -0.59 -4.52 117.98 122.81 1kvz s PHE 37 Ca -0.03 0.15 0.07 0.00 0.12 0.00 0.00 56.93 57.25 1kvz s PHE 37 Cb -0.19 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 1kvz s PHE 37 CO 0.01 0.44 -0.06 0.96 -0.10 0.00 0.00 175.22 176.47 1kvz s ILE 38 N -1.86 3.54 -0.76 0.64 -5.25 -0.89 -0.18 121.20 116.45 1kvz s ILE 38 Ca 0.36 -1.27 -0.16 0.00 -0.99 0.00 0.00 60.65 58.58 1kvz s ILE 38 Cb -0.10 -2.69 0.17 0.00 2.95 0.00 0.00 42.46 42.78 1kvz s ILE 38 CO 0.29 0.06 0.76 -0.47 -1.79 0.00 0.00 174.94 173.79 1kvz s TYR 39 N -1.36 3.46 0.19 1.37 5.04 -0.73 -2.22 117.35 123.11 1kvz s TYR 39 Ca 0.24 -1.62 -0.23 0.00 -2.44 0.00 0.00 57.07 53.01 1kvz s TYR 39 Cb -0.11 -3.92 0.07 0.00 0.35 0.00 0.00 41.96 38.35 1kvz s TYR 39 CO 0.16 -1.12 0.96 0.45 -1.34 0.00 0.00 175.55 174.66 1kvz s SER 40 N 2.86 -0.10 0.34 4.32 0.15 -1.21 -4.60 113.70 115.46 1kvz s SER 40 Ca 0.16 -0.58 0.01 0.00 0.70 0.00 0.00 55.95 56.24 1kvz s SER 40 Cb -0.15 0.54 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1kvz s SER 40 CO -0.05 -1.03 0.53 -0.76 1.20 0.00 0.00 173.24 173.14 1kvz s LEU 41 N -3.11 4.04 0.28 3.45 2.01 -1.26 -4.55 118.68 119.53 1kvz s LEU 41 Ca 0.16 0.43 0.26 0.00 0.01 0.00 0.00 54.13 54.99 1kvz s LEU 41 Cb -0.02 -3.29 0.86 0.00 0.01 0.00 0.00 46.19 43.74 1kvz s LEU 41 CO 0.04 -0.27 1.76 1.55 1.01 0.00 0.00 176.35 180.44 1kvz h PRO 42 N 0.83 0.00 0.48 1.29 0.13 -1.98 -2.82 132.00 129.93 1kvz h PRO 42 Ca -0.50 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 1kvz h PRO 42 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1kvz h PRO 42 CO 0.62 0.00 -0.23 0.78 -0.23 0.00 0.00 178.00 178.94 1kvz h GLY 43 N 3.58 -0.67 2.00 1.56 0.00 -1.98 -2.16 103.07 105.39 1kvz h GLY 43 Ca 0.00 0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.43 1kvz h GLY 43 CO 0.00 -0.24 -0.71 -0.56 0.00 0.00 0.00 176.54 175.03 1kvz h PRO 44 N -1.04 0.00 0.53 4.80 0.13 -1.98 -1.54 132.00 132.89 1kvz h PRO 44 Ca -0.07 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.04 1kvz h PRO 44 Cb 0.58 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.71 1kvz h PRO 44 CO 0.11 0.71 -0.25 0.28 -0.23 0.00 0.00 178.00 178.61 1kvz h VAL 45 N 0.00 0.00 0.00 1.56 2.07 -1.57 -2.82 116.25 115.49 1kvz h VAL 45 Ca -0.01 -0.21 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1kvz h VAL 45 Cb 1.27 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1kvz h VAL 45 CO 0.09 0.00 -0.02 0.50 0.02 0.00 0.00 177.57 178.16 1kvz h LYS 46 N -0.92 0.00 -0.47 1.57 3.64 -1.49 -1.74 116.57 117.15 1kvz h LYS 46 Ca -0.07 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1kvz h LYS 46 Cb 0.54 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1kvz h LYS 46 CO 0.12 0.02 0.16 0.00 -2.27 0.00 0.00 179.45 177.47 1kvz h ALA 47 N 1.98 1.39 -0.11 5.00 0.00 -1.06 -1.85 119.26 124.60 1kvz h ALA 47 Ca -0.00 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.79 1kvz h ALA 47 Cb 0.08 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1kvz h ALA 47 CO 0.00 0.45 0.09 -0.07 0.00 0.00 0.00 179.25 179.73 1kvz h LEU 48 N 0.68 0.00 -0.05 0.00 3.38 -1.07 0.63 115.31 118.88 1kvz h LEU 48 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1kvz h LEU 48 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1kvz h LEU 48 CO -0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.52 1kvz n ARG 50 N -1.99 0.61 0.00 0.00 0.63 0.21 -0.53 116.66 115.59 1kvz n ARG 50 Ca 0.06 -0.48 0.00 0.00 -0.92 0.00 0.00 57.85 56.51 1kvz n ARG 50 Cb 0.38 -3.23 0.00 0.00 0.45 0.00 0.00 32.46 30.05 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 6.43 1.41 3.74 5.14 0.00 -1.26 -5.11 105.19 115.54 1kvz n GLY 51 Ca 0.47 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 46.07 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 4.13 0.00 1.61 1.01 0.31 -4.92 120.40 122.53 1kvz s VAL 52 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.82 1kvz s VAL 52 Cb 0.00 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1kvz s VAL 52 CO 0.00 0.31 0.00 -0.38 0.00 0.00 0.00 175.10 175.03 1kvz n ILE 53 N 2.45 0.00 -3.12 2.22 -0.00 -1.26 -0.30 119.36 119.34 1kvz n ILE 53 Ca 0.02 0.00 -0.18 0.00 -0.00 0.00 0.00 62.75 62.59 1kvz n ILE 53 Cb 0.47 -0.56 0.00 0.00 -0.00 0.00 0.00 39.64 39.56 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 -1.84 2.82 -0.26 1.39 0.40 -1.26 -0.42 117.98 118.81 1kvz s PHE 54 Ca 0.00 -0.40 -0.28 0.00 -0.60 0.00 0.00 56.93 55.65 1kvz s PHE 54 Cb 0.00 -2.32 -0.03 0.00 0.51 0.00 0.00 43.02 41.18 1kvz s PHE 54 CO 0.00 -0.35 1.92 -1.12 0.70 0.00 0.00 175.22 176.38 1kvz s SER 55 N -4.31 5.83 0.04 1.36 0.01 -1.24 -3.88 113.70 111.52 1kvz s SER 55 Ca 0.53 1.60 0.01 0.00 1.31 0.00 0.00 55.95 59.40 1kvz s SER 55 Cb -0.09 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.59 1kvz s SER 55 CO 0.32 -1.71 -0.05 0.00 0.41 0.00 0.00 173.24 172.22 1kvz s ALA 56 N 7.03 0.45 -0.26 1.44 0.00 -0.19 -4.91 121.76 125.33 1kvz s ALA 56 Ca 0.86 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 51.78 1kvz s ALA 56 Cb -0.27 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1kvz s ALA 56 CO 0.34 -0.19 0.31 0.16 0.00 0.00 0.00 175.76 176.39 1kvz s ASP 57 N -2.08 6.22 -0.11 0.00 -4.77 -1.26 0.01 116.67 114.67 1kvz s ASP 57 Ca -0.05 0.24 0.00 0.00 -3.30 0.00 0.00 52.55 49.45 1kvz s ASP 57 Cb -0.03 -2.18 -0.02 0.00 -1.09 0.00 0.00 42.92 39.59 1kvz s ASP 57 CO -0.03 -0.11 -0.12 -0.69 0.70 0.00 0.00 175.17 174.92 1kvz s VAL 58 N 1.77 3.21 -0.22 2.11 1.01 0.18 -4.89 120.40 123.56 1kvz s VAL 58 Ca 0.13 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.40 1kvz s VAL 58 Cb -0.15 -2.34 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1kvz s VAL 58 CO 0.09 0.54 0.13 -0.22 0.00 0.00 0.00 175.10 175.64 1kvz s LEU 59 N 0.06 4.01 0.32 3.92 1.98 -1.26 -0.78 118.68 126.93 1kvz s LEU 59 Ca -0.04 0.10 -0.29 0.00 -2.89 0.00 0.00 54.13 51.01 1kvz s LEU 59 Cb -0.14 -2.06 -0.12 0.00 0.66 0.00 0.00 46.19 44.53 1kvz s LEU 59 CO 0.04 0.10 1.44 -1.54 -1.89 0.00 0.00 176.35 174.50 1kvz n SER 60 N 4.03 3.31 0.07 3.68 3.41 -0.72 -4.90 113.62 122.50 1kvz n SER 60 Ca -0.16 1.19 -0.10 0.00 -0.26 0.00 0.00 58.87 59.54 1kvz n SER 60 Cb 0.52 -1.54 -0.13 0.00 -0.26 0.00 0.00 64.21 62.81 1kvz n SER 60 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1kvz h ASN 61 N 3.54 0.13 -3.85 4.04 4.21 -1.97 -3.42 115.58 118.26 1kvz h ASN 61 Ca -0.47 -0.14 -0.68 0.00 1.21 0.00 0.00 56.30 56.22 1kvz h ASN 61 Cb 1.26 -0.04 -0.20 0.00 -1.12 0.00 0.00 38.32 38.21 1kvz h ASN 61 CO 0.70 1.11 -0.77 -0.94 -1.29 0.00 0.00 177.43 176.24 1kvz s SER 62 N -6.82 4.08 0.15 5.81 1.04 -1.26 -5.05 113.70 111.65 1kvz s SER 62 Ca -0.01 -0.33 -0.28 0.00 0.48 0.00 0.00 55.95 55.81 1kvz s SER 62 Cb 0.09 -0.77 -0.07 0.00 0.10 0.00 0.00 66.02 65.37 1kvz s SER 62 CO 0.84 0.26 0.87 -1.61 0.98 0.00 0.00 173.24 174.58 1kvz s GLU 63 N -1.43 4.67 0.39 4.02 2.02 -1.26 -4.65 118.70 122.45 1kvz s GLU 63 Ca 0.16 1.31 0.08 0.00 0.02 0.00 0.00 54.97 56.53 1kvz s GLU 63 Cb -0.11 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.76 1kvz s GLU 63 CO 0.06 0.41 0.19 -0.06 0.02 0.00 0.00 175.26 175.88 1kvz s PHE 64 N -0.64 2.64 0.37 1.61 0.08 -0.95 -4.73 117.98 116.36 1kvz s PHE 64 Ca 0.41 -0.52 -0.26 0.00 0.12 0.00 0.00 56.93 56.68 1kvz s PHE 64 Cb -0.23 -1.89 -0.09 0.00 -0.57 0.00 0.00 43.02 40.23 1kvz s PHE 64 CO 0.28 0.19 1.09 0.71 -0.10 0.00 0.00 175.22 177.40 1kvz s TYR 65 N -2.54 3.29 -0.20 0.36 2.02 -1.26 -2.65 117.35 116.37 1kvz s TYR 65 Ca 0.41 1.63 0.01 0.00 -0.37 0.00 0.00 57.07 58.75 1kvz s TYR 65 Cb 0.01 -3.24 0.04 0.00 -0.40 0.00 0.00 41.96 38.38 1kvz s TYR 65 CO 0.23 -0.79 -0.11 -0.51 -1.57 0.00 0.00 175.55 172.80 1kvz s LEU 66 N -2.30 2.34 -0.64 -1.29 1.43 0.55 -1.77 118.68 117.00 1kvz s LEU 66 Ca 0.54 -0.91 -0.13 0.00 -1.03 0.00 0.00 54.13 52.60 1kvz s LEU 66 Cb -0.27 -1.26 0.16 0.00 0.03 0.00 0.00 46.19 44.85 1kvz s LEU 66 CO 0.34 -0.14 0.57 0.00 0.23 0.00 0.00 176.35 177.35 1kvz s ALA 67 N 1.38 3.76 0.47 4.21 0.00 0.75 -1.77 121.76 130.56 1kvz s ALA 67 Ca -0.01 -2.86 0.08 0.00 0.00 0.00 0.00 51.96 49.17 1kvz s ALA 67 Cb -0.16 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.74 1kvz s ALA 67 CO -0.08 -2.10 0.62 -1.83 0.00 0.00 0.00 175.76 172.37 1kvz s GLU 68 N 0.95 2.66 0.01 0.00 -1.05 -0.92 -1.55 118.70 118.80 1kvz s GLU 68 Ca 0.10 -1.38 0.00 0.00 -0.15 0.00 0.00 54.97 53.54 1kvz s GLU 68 Cb -0.22 -2.70 -0.01 0.00 -0.44 0.00 0.00 34.13 30.76 1kvz s GLU 68 CO -0.02 -0.44 -0.03 0.00 0.95 0.00 0.00 175.26 175.72 1kvz s ASN 70 N -0.86 0.78 -0.23 0.00 3.84 -0.91 -1.96 114.94 115.60 1kvz s ASN 70 Ca -0.08 0.01 -0.29 0.00 0.21 0.00 0.00 52.86 52.71 1kvz s ASN 70 Cb -0.06 -0.20 -0.01 0.00 -0.55 0.00 0.00 41.25 40.43 1kvz s ASN 70 CO -0.00 -0.17 1.33 -0.69 -2.79 0.00 0.00 177.10 174.78 1kvz s VAL 71 N 1.57 4.13 0.15 -5.21 1.01 0.23 -2.48 120.40 119.80 1kvz s VAL 71 Ca -0.02 1.32 -0.34 0.00 0.00 0.00 0.00 61.98 62.93 1kvz s VAL 71 Cb -0.13 -4.02 -0.15 0.00 0.00 0.00 0.00 36.38 32.08 1kvz s VAL 71 CO -0.03 -0.31 1.48 0.29 0.00 0.00 0.00 175.10 176.53 1kvz n LYS 72 N 7.07 1.84 -2.01 2.72 5.02 -0.63 -4.96 118.16 127.21 1kvz n LYS 72 Ca 0.15 0.66 -0.32 0.00 -2.02 0.00 0.00 58.31 56.79 1kvz n LYS 72 Cb 0.46 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.09 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 0.61 3.55 -1.74 1.97 0.04 -1.26 -3.57 135.00 134.59 1kvz s PRO 73 Ca 0.79 0.92 0.00 0.00 0.04 0.00 0.00 61.00 62.75 1kvz s PRO 73 Cb -0.75 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 31.71 1kvz s PRO 73 CO 0.42 -0.61 0.00 -2.13 0.04 0.00 0.00 177.00 174.72 1kvz n ARG 74 N -2.33 -1.61 -3.82 4.56 0.63 -1.26 -4.95 116.66 107.88 1kvz n ARG 74 Ca 0.07 0.99 -0.09 0.00 -0.92 0.00 0.00 57.85 57.90 1kvz n ARG 74 Cb 0.54 -5.61 -0.04 0.00 0.45 0.00 0.00 32.46 27.80 1kvz n ARG 74 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1kvz s LYS 75 N -4.99 1.51 0.00 -0.14 1.02 -1.23 -5.18 119.74 110.73 1kvz s LYS 75 Ca 0.00 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.02 1kvz s LYS 75 Cb 0.00 0.53 0.00 0.00 -0.52 0.00 0.00 37.83 37.84 1kvz s LYS 75 CO 0.00 -0.66 0.00 -0.35 -0.92 0.00 0.00 175.35 173.42 1kvz n PRO 76 N -0.38 0.28 -0.82 -1.68 -0.04 -1.26 -4.78 135.00 126.32 1kvz n PRO 76 Ca -0.07 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.13 1kvz n PRO 76 Cb 0.62 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.05 1kvz n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kvz s LYS 78 N 3.76 3.96 -0.09 0.00 1.02 -1.26 -5.02 119.74 122.11 1kvz s LYS 78 Ca 0.43 -0.26 -0.05 0.00 0.02 0.00 0.00 55.97 56.11 1kvz s LYS 78 Cb 0.11 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1kvz s LYS 78 CO -0.00 -0.19 0.12 0.71 -0.92 0.00 0.00 175.35 175.06 1kvz s TYR 79 N 1.80 3.49 -0.03 3.18 2.02 -1.26 -1.61 117.35 124.94 1kvz s TYR 79 Ca 0.08 0.42 0.07 0.00 -0.37 0.00 0.00 57.07 57.27 1kvz s TYR 79 Cb -0.16 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.51 1kvz s TYR 79 CO 0.11 0.66 -0.23 -1.59 -1.57 0.00 0.00 175.55 172.93 1kvz s LYS 80 N -1.20 2.12 0.21 -0.62 -2.85 -1.03 -4.93 119.74 111.45 1kvz s LYS 80 Ca 0.17 -0.84 -0.08 0.00 -1.00 0.00 0.00 55.97 54.22 1kvz s LYS 80 Cb -0.12 -1.93 -0.07 0.00 -2.06 0.00 0.00 37.83 33.65 1kvz s LYS 80 CO 0.07 0.44 0.51 -0.51 0.10 0.00 0.00 175.35 175.95 1kvz s LEU 81 N -0.35 4.18 0.04 2.77 1.43 -1.26 -2.15 118.68 123.34 1kvz s LEU 81 Ca 0.03 0.83 -0.00 0.00 -1.03 0.00 0.00 54.13 53.96 1kvz s LEU 81 Cb -0.11 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1kvz s LEU 81 CO 0.01 -0.05 -0.03 -0.75 0.23 0.00 0.00 176.35 175.75 1kvz s LYS 82 N -2.83 0.49 0.03 1.70 2.20 -0.84 -4.98 119.74 115.50 1kvz s LYS 82 Ca 0.46 -0.94 0.08 0.00 -0.36 0.00 0.00 55.97 55.21 1kvz s LYS 82 Cb -0.11 0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.31 1kvz s LYS 82 CO 0.22 -0.07 -0.24 -1.59 -0.36 0.00 0.00 175.35 173.31 1kvz s LYS 83 N -2.76 1.68 0.38 4.03 -2.85 -1.26 -2.16 119.74 116.80 1kvz s LYS 83 Ca -0.03 -0.99 -0.09 0.00 -1.00 0.00 0.00 55.97 53.86 1kvz s LYS 83 Cb -0.01 -1.78 0.03 0.00 -2.06 0.00 0.00 37.83 34.02 1kvz s LYS 83 CO -0.05 0.47 0.65 -1.12 0.10 0.00 0.00 175.35 175.39 1kvz s SER 84 N -1.06 0.52 -0.24 0.03 0.01 -0.73 -4.94 113.70 107.29 1kvz s SER 84 Ca 0.10 -1.36 -0.04 0.00 1.31 0.00 0.00 55.95 55.95 1kvz s SER 84 Cb -0.09 0.78 0.13 0.00 0.21 0.00 0.00 66.02 67.04 1kvz s SER 84 CO 0.01 -1.54 0.43 -0.55 0.41 0.00 0.00 173.24 172.00 1kvz s SER 85 N -3.17 -0.16 0.08 2.44 0.15 -1.26 -0.33 113.70 111.45 1kvz s SER 85 Ca 0.23 0.60 -0.26 0.00 0.70 0.00 0.00 55.95 57.22 1kvz s SER 85 Cb -0.03 1.35 0.09 0.00 -1.71 0.00 0.00 66.02 65.72 1kvz s SER 85 CO 0.17 -0.27 1.17 0.54 1.20 0.00 0.00 173.24 176.04 1kvz s ASN 86 N 2.62 -0.00 0.92 5.45 4.22 -1.09 -4.89 114.94 122.17 1kvz s ASN 86 Ca 0.08 -0.41 -0.08 0.00 -2.14 0.00 0.00 52.86 50.31 1kvz s ASN 86 Cb -0.14 0.31 0.13 0.00 1.28 0.00 0.00 41.25 42.83 1kvz s ASN 86 CO -0.15 -0.62 0.79 0.54 -2.04 0.00 0.00 177.10 175.61 1kvz n ARG 87 N -0.77 -0.62 -3.65 3.55 1.74 -1.26 -2.23 116.66 113.42 1kvz n ARG 87 Ca -0.00 -1.37 -0.15 0.00 -0.77 0.00 0.00 57.85 55.56 1kvz n ARG 87 Cb 0.59 -0.77 -0.08 0.00 -1.02 0.00 0.00 32.46 31.19 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 -2.62 0.01 -0.30 0.55 -4.36 -1.26 -2.52 121.20 110.70 1kvz s ILE 88 Ca 0.46 -0.08 -0.12 0.00 -0.26 0.00 0.00 60.65 60.65 1kvz s ILE 88 Cb -0.01 -0.82 -0.04 0.00 1.25 0.00 0.00 42.46 42.84 1kvz s ILE 88 CO 0.32 -0.04 0.24 0.00 0.24 0.00 0.00 174.94 175.69 1kvz s ILE 90 N 1.80 1.97 -0.24 0.00 1.10 0.04 -0.26 121.20 125.62 1kvz s ILE 90 Ca 0.08 -1.44 -0.14 0.00 -0.51 0.00 0.00 60.65 58.64 1kvz s ILE 90 Cb -0.16 -1.72 -0.04 0.00 0.15 0.00 0.00 42.46 40.68 1kvz s ILE 90 CO 0.11 0.20 0.32 -0.60 -2.11 0.00 0.00 174.94 172.86 1kvz s ARG 91 N -1.50 4.07 0.03 3.50 3.52 0.24 0.50 118.95 129.31 1kvz s ARG 91 Ca 0.10 -0.00 0.07 0.00 -0.13 0.00 0.00 55.73 55.77 1kvz s ARG 91 Cb -0.10 -3.60 -0.02 0.00 -1.56 0.00 0.00 34.95 29.68 1kvz s ARG 91 CO 0.03 -0.12 -0.20 0.00 -0.81 0.00 0.00 175.30 174.20 1kvz s GLU 93 N -1.05 0.69 -1.79 0.00 -1.05 -0.60 -1.03 118.70 113.87 1kvz s GLU 93 Ca 0.07 0.46 0.00 0.00 -0.15 0.00 0.00 54.97 55.34 1kvz s GLU 93 Cb -0.08 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1kvz s GLU 93 CO 0.01 -0.14 0.00 0.72 0.95 0.00 0.00 175.26 176.80 1kvz n HIS 94 N 2.17 -0.98 -3.45 4.83 8.25 0.44 -0.64 115.22 125.85 1kvz n HIS 94 Ca -0.16 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.07 1kvz n HIS 94 Cb 0.56 -3.96 0.07 0.00 1.12 0.00 0.00 29.99 27.78 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 -2.99 -7.15 -3.54 -0.41 2.13 0.59 -4.97 120.64 104.30 1kvz n GLU 95 Ca -0.25 0.83 -0.19 0.00 0.66 0.00 0.00 57.16 58.21 1kvz n GLU 95 Cb 0.69 -5.78 -0.14 0.00 0.27 0.00 0.00 31.44 26.48 1kvz n GLU 95 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1kvz s LEU 96 N -7.02 -0.07 -0.46 4.31 2.96 0.19 -4.80 118.68 113.80 1kvz s LEU 96 Ca 0.51 -0.14 -0.29 0.00 -0.22 0.00 0.00 54.13 53.99 1kvz s LEU 96 Cb -0.23 0.32 0.02 0.00 0.50 0.00 0.00 46.19 46.81 1kvz s LEU 96 CO 0.64 -0.31 1.31 -2.16 -1.32 0.00 0.00 176.35 174.50 1kvz s PRO 97 N 2.31 3.60 -0.07 0.98 0.04 -1.26 -1.56 135.00 139.02 1kvz s PRO 97 Ca 0.06 0.73 0.20 0.00 0.04 0.00 0.00 61.00 62.03 1kvz s PRO 97 Cb -0.15 -3.99 -0.30 0.00 0.04 0.00 0.00 34.50 30.09 1kvz s PRO 97 CO -0.11 -1.55 0.35 1.33 0.04 0.00 0.00 177.00 177.06 1kvz n VAL 98 N 6.97 0.38 -4.19 -0.36 0.24 -0.78 -4.05 118.33 116.54 1kvz n VAL 98 Ca 0.14 -0.58 -0.16 0.00 -2.04 0.00 0.00 64.34 61.70 1kvz n VAL 98 Cb 0.48 -0.12 -0.07 0.00 -1.47 0.00 0.00 33.84 32.67 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 -3.17 1.37 -0.09 6.34 3.76 -1.22 -4.54 115.29 117.74 1kvz s HIS 99 Ca -0.08 -1.46 0.03 0.00 -0.15 0.00 0.00 55.06 53.40 1kvz s HIS 99 Cb 0.11 -0.43 0.01 0.00 1.11 0.00 0.00 32.58 33.38 1kvz s HIS 99 CO 0.85 -0.94 -0.20 -0.59 -0.85 0.00 0.00 174.74 173.01 1kvz s PHE 100 N -3.42 2.18 0.10 1.40 -0.71 -1.26 -0.59 117.98 115.67 1kvz s PHE 100 Ca 0.36 -0.89 -0.07 0.00 -1.04 0.00 0.00 56.93 55.29 1kvz s PHE 100 Cb 0.02 -1.49 -0.18 0.00 -1.21 0.00 0.00 43.02 40.15 1kvz s PHE 100 CO 0.22 -0.39 1.22 0.00 -1.34 0.00 0.00 175.22 174.93 1kvz h ALA 101 N 6.87 0.21 0.00 1.99 0.00 -0.91 -3.46 119.26 123.96 1kvz h ALA 101 Ca -0.24 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 53.91 1kvz h ALA 101 Cb 1.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1kvz h ALA 101 CO 0.48 0.81 0.00 0.41 0.00 0.00 0.00 179.25 180.95 1kvz n GLY 102 N 1.17 -0.61 3.23 0.00 0.00 -1.05 -4.99 105.19 102.94 1kvz n GLY 102 Ca -0.09 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.58 0.83 0.00 1.61 0.11 -1.26 -1.42 120.40 116.68 1kvz s VAL 103 Ca 0.00 -1.99 0.00 0.00 -2.93 0.00 0.00 61.98 57.06 1kvz s VAL 103 Cb 0.00 -1.95 0.00 0.00 -1.53 0.00 0.00 36.38 32.90 1kvz s VAL 103 CO 0.00 -0.64 0.00 0.61 -3.33 0.00 0.00 175.10 171.74 1kvz n GLY 104 N -0.19 1.99 3.17 6.54 0.00 -1.05 -4.76 105.19 110.89 1kvz n GLY 104 Ca -0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 0.80 -0.09 -0.61 -4.36 -1.26 -4.09 121.20 111.59 1kvz s ILE 105 Ca 0.00 -1.74 0.00 0.00 -0.26 0.00 0.00 60.65 58.65 1kvz s ILE 105 Cb 0.00 -1.46 -0.03 0.00 1.25 0.00 0.00 42.46 42.22 1kvz s ILE 105 CO 0.00 -0.70 -0.08 0.00 0.24 0.00 0.00 174.94 174.40