#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 4.22 0.00 0.03 -0.21 -1.26 -5.05 119.66 117.39 1kvz s GLN 2 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 55.36 56.17 1kvz s GLN 2 Cb 0.00 -3.03 0.00 0.00 1.00 0.00 0.00 33.01 30.98 1kvz s GLN 2 CO 0.00 0.50 0.00 -3.47 -2.12 0.00 0.00 175.29 170.20 1kvz n ASP 3 N 1.11 0.00 0.18 5.90 2.03 -1.26 -4.78 116.55 119.74 1kvz n ASP 3 Ca -0.06 -0.36 -0.17 0.00 0.52 0.00 0.00 54.79 54.72 1kvz n ASP 3 Cb 0.51 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.81 1kvz n ASP 3 CO 0.00 0.00 0.00 -0.25 -1.92 0.00 0.00 177.20 175.03 1kvz h TRP 4 N 0.36 -1.43 -0.91 -0.67 -0.00 -1.90 -1.58 115.95 109.83 1kvz h TRP 4 Ca 0.00 0.03 0.25 0.00 -0.00 0.00 0.00 58.89 59.17 1kvz h TRP 4 Cb 0.00 0.59 -0.16 0.00 -0.00 0.00 0.00 29.16 29.59 1kvz h TRP 4 CO 0.00 -0.62 0.13 0.00 -0.00 0.00 0.00 178.44 177.96 1kvz h ALA 5 N -0.60 1.21 -0.42 2.65 0.00 -1.97 0.60 119.26 120.74 1kvz h ALA 5 Ca -0.02 0.28 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1kvz h ALA 5 Cb 0.79 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1kvz h ALA 5 CO -0.20 -0.54 -0.34 1.79 0.00 0.00 0.00 179.25 179.97 1kvz h THR 6 N 0.09 1.27 -0.09 0.00 1.35 -1.85 -2.71 112.91 110.98 1kvz h THR 6 Ca 0.57 -1.51 -0.07 0.00 -0.55 0.00 0.00 66.41 64.85 1kvz h THR 6 Cb 1.18 1.31 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1kvz h THR 6 CO -0.78 0.51 -0.28 0.15 -0.25 0.00 0.00 175.52 174.88 1kvz h PHE 7 N 0.79 0.18 -0.03 4.73 3.57 0.71 0.70 116.94 127.60 1kvz h PHE 7 Ca 0.08 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1kvz h PHE 7 Cb 0.93 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.62 1kvz h PHE 7 CO 0.06 0.43 0.01 -0.22 -2.23 0.00 0.00 178.31 176.37 1kvz h LYS 8 N 0.15 0.04 0.00 1.11 3.64 0.27 0.17 116.57 121.95 1kvz h LYS 8 Ca 0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1kvz h LYS 8 Cb 0.57 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1kvz h LYS 8 CO 0.04 0.17 0.00 0.87 -2.27 0.00 0.00 179.45 178.26 1kvz h LYS 9 N -0.09 0.00 0.00 1.90 1.79 -1.35 -1.06 116.57 117.76 1kvz h LYS 9 Ca 0.01 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1kvz h LYS 9 Cb 0.14 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1kvz h LYS 9 CO -0.00 0.00 -0.22 0.87 -1.08 0.00 0.00 179.45 179.02 1kvz h LYS 10 N 0.00 0.00 0.00 3.15 1.57 -0.50 -3.41 116.57 117.38 1kvz h LYS 10 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1kvz h LYS 10 Cb 0.86 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1kvz h LYS 10 CO 0.00 0.54 -0.24 0.72 -0.57 0.00 0.00 179.45 179.91 1kvz n HIS 11 N -4.65 0.00 -3.91 -1.35 8.25 0.55 -4.35 115.22 109.76 1kvz n HIS 11 Ca -0.09 -1.01 -0.10 0.00 -0.26 0.00 0.00 57.72 56.25 1kvz n HIS 11 Cb 0.32 -0.17 -0.11 0.00 1.12 0.00 0.00 29.99 31.15 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 -2.55 1.83 0.31 2.41 1.43 -0.40 -0.35 118.68 121.36 1kvz s LEU 12 Ca 0.30 -0.27 -0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1kvz s LEU 12 Cb 0.28 0.42 -0.01 0.00 0.03 0.00 0.00 46.19 46.90 1kvz s LEU 12 CO -0.01 -0.31 0.37 0.42 0.23 0.00 0.00 176.35 177.06 1kvz s THR 13 N -1.25 0.00 -0.21 5.49 -4.23 -0.94 -4.30 115.64 110.20 1kvz s THR 13 Ca -0.14 -1.75 0.13 0.00 -1.18 0.00 0.00 61.69 58.75 1kvz s THR 13 Cb -0.08 -2.55 0.43 0.00 1.34 0.00 0.00 72.50 71.64 1kvz s THR 13 CO 0.00 0.00 1.30 -0.67 -0.54 0.00 0.00 174.62 174.72 1kvz n ASP 14 N -1.22 2.43 -3.60 3.99 -0.08 -1.26 -4.36 116.55 112.44 1kvz n ASP 14 Ca 0.03 -3.53 -0.04 0.00 -1.51 0.00 0.00 54.79 49.74 1kvz n ASP 14 Cb 0.62 -0.54 -0.02 0.00 2.34 0.00 0.00 41.12 43.52 1kvz n ASP 14 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1kvz s THR 15 N -3.09 0.00 0.18 5.18 -1.32 -1.26 -5.03 115.64 110.29 1kvz s THR 15 Ca 0.39 0.00 -0.04 0.00 -1.21 0.00 0.00 61.69 60.83 1kvz s THR 15 Cb 0.35 -1.00 -0.08 0.00 -1.51 0.00 0.00 72.50 70.27 1kvz s THR 15 CO -0.00 0.00 1.46 -0.25 -2.21 0.00 0.00 174.62 173.62 1kvz h TRP 16 N 2.02 0.70 -3.59 9.09 7.01 -1.97 -3.41 115.95 125.79 1kvz h TRP 16 Ca -0.08 -0.27 -0.65 0.00 2.11 0.00 0.00 58.89 59.99 1kvz h TRP 16 Cb 1.16 -0.12 -0.15 0.00 -2.10 0.00 0.00 29.16 27.95 1kvz h TRP 16 CO 0.28 1.02 -0.00 0.34 -2.79 0.00 0.00 178.44 177.29 1kvz s ASP 17 N -6.95 6.31 0.23 2.65 2.15 -1.26 -4.64 116.67 115.16 1kvz s ASP 17 Ca -0.07 -0.17 0.06 0.00 0.43 0.00 0.00 52.55 52.80 1kvz s ASP 17 Cb 0.11 -2.28 -0.04 0.00 -0.30 0.00 0.00 42.92 40.41 1kvz s ASP 17 CO 0.85 -0.58 0.20 -0.69 -0.17 0.00 0.00 175.17 174.78 1kvz s VAL 18 N 2.51 4.55 -0.79 1.11 1.01 -1.26 -5.03 120.40 122.49 1kvz s VAL 18 Ca 0.19 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 1kvz s VAL 18 Cb -0.15 -3.43 0.21 0.00 0.00 0.00 0.00 36.38 33.00 1kvz s VAL 18 CO 0.15 -0.30 0.71 -1.81 0.00 0.00 0.00 175.10 173.85 1kvz s ASP 19 N -3.70 6.47 0.12 3.32 1.11 -1.26 -4.92 116.67 117.81 1kvz s ASP 19 Ca 0.33 -2.74 -0.19 0.00 0.18 0.00 0.00 52.55 50.14 1kvz s ASP 19 Cb -0.08 -2.14 -0.05 0.00 1.07 0.00 0.00 42.92 41.71 1kvz s ASP 19 CO 0.25 -0.53 1.70 0.00 1.18 0.00 0.00 175.17 177.77 1kvz n ASP 21 N -4.82 0.55 0.05 0.00 5.75 -1.26 0.01 116.55 116.84 1kvz n ASP 21 Ca -0.02 0.68 -0.19 0.00 -0.01 0.00 0.00 54.79 55.25 1kvz n ASP 21 Cb 0.09 -0.78 -0.14 0.00 -1.03 0.00 0.00 41.12 39.26 1kvz n ASP 21 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 1kvz h ASN 22 N 0.00 0.45 0.24 -1.12 -0.73 -1.85 -3.38 115.58 109.18 1kvz h ASN 22 Ca 0.00 -0.72 -0.17 0.00 1.87 0.00 0.00 56.30 57.28 1kvz h ASN 22 Cb 0.21 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.62 1kvz h ASN 22 CO 0.00 1.62 -1.93 0.18 -0.37 0.00 0.00 177.43 176.93 1kvz n LEU 23 N -3.48 0.28 -0.19 0.34 7.99 -1.09 -4.45 117.00 116.40 1kvz n LEU 23 Ca -0.22 0.12 -0.01 0.00 -0.01 0.00 0.00 56.01 55.89 1kvz n LEU 23 Cb 1.06 0.19 0.09 0.00 -0.11 0.00 0.00 43.42 44.65 1kvz n LEU 23 CO 0.49 0.20 0.97 -0.03 -1.51 0.00 0.00 177.39 177.51 1kvz h MET 24 N 0.00 0.36 0.00 3.23 4.05 -0.60 -1.88 114.93 120.09 1kvz h MET 24 Ca -0.23 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.17 1kvz h MET 24 Cb 1.58 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 32.30 1kvz h MET 24 CO 0.02 0.24 0.00 -0.35 0.23 0.00 0.00 176.91 177.05 1kvz n PRO 25 N -5.02 0.86 -1.76 0.39 -0.04 -1.26 0.13 135.00 128.30 1kvz n PRO 25 Ca 0.08 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.36 1kvz n PRO 25 Cb 0.26 -1.22 0.11 0.00 -0.04 0.00 0.00 33.50 32.60 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 -0.72 0.00 0.56 0.52 -1.04 -0.71 -4.75 114.28 108.14 1kvz n THR 26 Ca 0.09 -0.96 0.13 0.00 -2.04 0.00 0.00 64.05 61.27 1kvz n THR 26 Cb 0.04 -1.26 0.30 0.00 -1.82 0.00 0.00 70.33 67.59 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 -0.71 0.00 0.36 8.00 4.64 -1.88 0.83 113.55 124.79 1kvz h SER 27 Ca -0.26 -0.07 -0.27 0.00 -0.47 0.00 0.00 61.79 60.73 1kvz h SER 27 Cb 0.85 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1kvz h SER 27 CO 0.24 0.03 -1.15 0.25 -0.87 0.00 0.00 176.83 175.33 1kvz h LEU 28 N 0.00 0.62 0.00 5.97 5.85 -1.92 -3.37 115.31 122.46 1kvz h LEU 28 Ca 0.00 -0.57 -0.26 0.00 0.84 0.00 0.00 57.88 57.89 1kvz h LEU 28 Cb 0.77 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1kvz h LEU 28 CO 0.00 1.40 -1.98 0.49 -0.34 0.00 0.00 178.44 178.01 1kvz n PHE 29 N -3.70 0.00 -4.26 1.25 3.01 -1.24 -5.00 117.46 107.53 1kvz n PHE 29 Ca -0.10 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.04 1kvz n PHE 29 Cb 0.95 -0.67 -0.07 0.00 -0.01 0.00 0.00 39.48 39.67 1kvz n PHE 29 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1kvz n ASP 30 N -2.88 -0.09 -3.64 4.37 -0.08 0.29 0.24 116.55 114.76 1kvz n ASP 30 Ca -0.29 -1.19 -0.25 0.00 -1.51 0.00 0.00 54.79 51.56 1kvz n ASP 30 Cb 0.86 -2.03 0.07 0.00 2.34 0.00 0.00 41.12 42.36 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 -4.91 -3.44 -0.07 0.00 4.76 0.14 -4.98 118.16 109.66 1kvz n LYS 32 Ca -0.01 -0.81 -0.11 0.00 -2.87 0.00 0.00 58.31 54.51 1kvz n LYS 32 Cb 0.56 -1.02 -0.09 0.00 -1.84 0.00 0.00 35.03 32.64 1kvz n LYS 32 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1kvz h ASP 33 N -2.80 0.00 -4.83 4.39 5.19 -1.93 -3.45 116.42 112.99 1kvz h ASP 33 Ca -0.22 -0.68 0.01 0.00 -0.62 0.00 0.00 57.03 55.53 1kvz h ASP 33 Cb 0.72 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.08 1kvz h ASP 33 CO 0.13 0.92 0.31 -1.59 -3.12 0.00 0.00 179.24 175.89 1kvz s LYS 34 N -2.08 1.06 -0.14 3.56 -2.85 -1.26 -1.20 119.74 116.83 1kvz s LYS 34 Ca -0.15 -0.21 -0.08 0.00 -1.00 0.00 0.00 55.97 54.53 1kvz s LYS 34 Cb -0.01 0.49 0.05 0.00 -2.06 0.00 0.00 37.83 36.30 1kvz s LYS 34 CO 0.50 -0.43 0.34 -0.80 0.10 0.00 0.00 175.35 175.06 1kvz s ASN 35 N -2.20 -0.40 0.00 0.03 -0.87 -0.47 -4.96 114.94 106.07 1kvz s ASN 35 Ca -0.01 0.73 -0.03 0.00 -1.57 0.00 0.00 52.86 51.98 1kvz s ASN 35 Cb -0.01 0.61 -0.04 0.00 -0.02 0.00 0.00 41.25 41.80 1kvz s ASN 35 CO -0.06 -0.18 0.20 -0.89 -2.57 0.00 0.00 177.10 173.61 1kvz s THR 36 N 1.29 5.41 0.12 1.60 2.01 -1.26 -0.12 115.64 124.69 1kvz s THR 36 Ca -0.09 -0.13 0.07 0.00 0.31 0.00 0.00 61.69 61.85 1kvz s THR 36 Cb -0.09 -3.55 -0.04 0.00 0.01 0.00 0.00 72.50 68.83 1kvz s THR 36 CO -0.10 0.31 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.60 1kvz s PHE 37 N -1.35 1.58 -0.04 4.92 0.08 -0.52 -3.97 117.98 118.69 1kvz s PHE 37 Ca 0.28 -0.48 -0.02 0.00 0.12 0.00 0.00 56.93 56.83 1kvz s PHE 37 Cb -0.13 -0.83 -0.04 0.00 -0.57 0.00 0.00 43.02 41.45 1kvz s PHE 37 CO 0.19 0.20 0.07 0.42 -0.10 0.00 0.00 175.22 176.00 1kvz s ILE 38 N -1.75 4.76 -1.16 0.64 -1.09 0.53 -1.66 121.20 121.47 1kvz s ILE 38 Ca 0.09 -0.29 -0.08 0.00 -2.23 0.00 0.00 60.65 58.13 1kvz s ILE 38 Cb -0.07 -3.13 0.25 0.00 -1.58 0.00 0.00 42.46 37.93 1kvz s ILE 38 CO 0.04 0.43 1.47 0.00 -1.23 0.00 0.00 174.94 175.66 1kvz n TYR 39 N 1.47 3.65 -4.04 3.97 9.36 -0.78 -2.22 117.16 128.57 1kvz n TYR 39 Ca -0.15 -3.10 -0.11 0.00 3.32 0.00 0.00 57.90 57.86 1kvz n TYR 39 Cb 0.53 -1.68 -0.05 0.00 -0.63 0.00 0.00 39.34 37.51 1kvz n TYR 39 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1kvz s SER 40 N 0.38 0.25 0.30 2.98 0.15 -1.26 -4.69 113.70 111.80 1kvz s SER 40 Ca 0.35 -1.16 0.05 0.00 0.70 0.00 0.00 55.95 55.89 1kvz s SER 40 Cb 0.01 0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 64.90 1kvz s SER 40 CO 0.02 -1.19 0.44 -0.76 1.20 0.00 0.00 173.24 172.95 1kvz s LEU 41 N -3.10 4.12 0.32 3.45 1.43 -1.26 -4.66 118.68 118.97 1kvz s LEU 41 Ca 0.26 0.01 0.26 0.00 -1.03 0.00 0.00 54.13 53.63 1kvz s LEU 41 Cb -0.00 -2.87 0.82 0.00 0.03 0.00 0.00 46.19 44.17 1kvz s LEU 41 CO 0.13 -0.27 1.75 1.55 0.23 0.00 0.00 176.35 179.74 1kvz h PRO 42 N 0.98 0.00 0.43 1.29 0.13 -1.98 -2.69 132.00 130.16 1kvz h PRO 42 Ca -0.49 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.62 1kvz h PRO 42 Cb 1.24 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 -0.21 0.78 -0.23 0.00 0.00 178.00 178.92 1kvz h GLY 43 N 3.53 -0.60 2.00 1.56 0.00 -1.97 -1.00 103.07 106.59 1kvz h GLY 43 Ca 0.00 0.22 -0.14 0.00 0.00 0.00 0.00 47.33 47.42 1kvz h GLY 43 CO 0.00 -0.22 -0.66 -0.56 0.00 0.00 0.00 176.54 175.10 1kvz h PRO 44 N -1.03 0.00 0.16 4.80 0.13 -1.99 -0.67 132.00 133.40 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 0.66 -0.07 0.28 -0.23 0.00 0.00 178.00 178.73 1kvz h VAL 45 N 0.00 0.91 0.00 1.56 2.07 -1.56 -3.04 116.25 116.18 1kvz h VAL 45 Ca -0.01 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1kvz h VAL 45 Cb 1.23 1.50 -0.00 0.00 -1.52 0.00 0.00 31.29 32.50 1kvz h VAL 45 CO 0.09 0.23 -0.12 0.50 0.02 0.00 0.00 177.57 178.28 1kvz h LYS 46 N -0.81 0.00 -0.65 1.57 3.64 -1.25 -2.08 116.57 116.99 1kvz h LYS 46 Ca -0.02 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1kvz h LYS 46 Cb 0.53 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 1kvz h LYS 46 CO 0.04 0.12 0.43 0.00 -2.27 0.00 0.00 179.45 177.76 1kvz h ALA 47 N 1.88 1.69 -0.29 5.00 0.00 -1.00 0.12 119.26 126.65 1kvz h ALA 47 Ca -0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1kvz h ALA 47 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1kvz h ALA 47 CO 0.02 0.23 -0.26 1.25 0.00 0.00 0.00 179.25 180.48 1kvz h LEU 48 N 0.73 0.59 -0.40 0.00 5.85 -1.32 -2.18 115.31 118.58 1kvz h LEU 48 Ca 0.27 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1kvz h LEU 48 Cb 0.14 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1kvz h LEU 48 CO -0.08 0.84 0.00 0.00 -0.34 0.00 0.00 178.44 178.86 1kvz n ARG 50 N -2.71 0.57 0.00 0.00 3.00 0.17 -0.73 116.66 116.96 1kvz n ARG 50 Ca 0.03 -0.65 0.00 0.00 -0.00 0.00 0.00 57.85 57.23 1kvz n ARG 50 Cb 0.41 -3.40 0.00 0.00 0.00 0.00 0.00 32.46 29.47 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 6.59 1.75 3.74 5.14 0.00 -1.26 -5.04 105.19 116.10 1kvz n GLY 51 Ca 0.48 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 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 3.23 -0.03 1.61 1.01 0.09 -4.92 120.40 121.39 1kvz s VAL 52 Ca 0.00 1.02 0.01 0.00 0.00 0.00 0.00 61.98 63.00 1kvz s VAL 52 Cb 0.00 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 1kvz s VAL 52 CO 0.00 0.16 -0.02 -0.38 0.00 0.00 0.00 175.10 174.85 1kvz n ILE 53 N 2.56 0.18 -3.92 2.22 2.08 -1.26 -0.38 119.36 120.85 1kvz n ILE 53 Ca 0.06 -0.08 -0.24 0.00 0.56 0.00 0.00 62.75 63.05 1kvz n ILE 53 Cb 0.43 -0.68 -0.04 0.00 -0.75 0.00 0.00 39.64 38.60 1kvz n ILE 53 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1kvz s PHE 54 N -2.06 2.37 0.08 1.39 0.08 -1.26 -1.34 117.98 117.24 1kvz s PHE 54 Ca -0.04 -0.63 -0.31 0.00 0.12 0.00 0.00 56.93 56.07 1kvz s PHE 54 Cb 0.01 -2.00 -0.09 0.00 -0.57 0.00 0.00 43.02 40.37 1kvz s PHE 54 CO 0.08 -0.07 1.77 -1.54 -0.10 0.00 0.00 175.22 175.36 1kvz s SER 55 N -4.06 6.51 -0.04 1.36 1.04 -1.24 -3.83 113.70 113.44 1kvz s SER 55 Ca 0.40 2.61 -0.11 0.00 0.48 0.00 0.00 55.95 59.34 1kvz s SER 55 Cb 0.00 -2.56 0.02 0.00 0.10 0.00 0.00 66.02 63.58 1kvz s SER 55 CO 0.23 -0.96 0.25 0.00 0.98 0.00 0.00 173.24 173.74 1kvz s ALA 56 N 3.00 -0.62 -0.34 5.32 0.00 0.08 -4.91 121.76 124.29 1kvz s ALA 56 Ca 0.79 0.38 -0.16 0.00 0.00 0.00 0.00 51.96 52.96 1kvz s ALA 56 Cb -0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 1kvz s ALA 56 CO 0.35 -0.20 0.41 -0.51 0.00 0.00 0.00 175.76 175.82 1kvz s ASP 57 N -0.77 6.23 -0.04 0.00 1.11 -1.26 0.18 116.67 122.12 1kvz s ASP 57 Ca -0.09 -0.13 0.05 0.00 0.18 0.00 0.00 52.55 52.56 1kvz s ASP 57 Cb -0.05 -2.22 -0.03 0.00 1.07 0.00 0.00 42.92 41.70 1kvz s ASP 57 CO 0.02 -0.38 -0.17 0.54 1.18 0.00 0.00 175.17 176.36 1kvz s VAL 58 N 2.15 2.83 -0.13 -1.27 0.11 0.07 -4.90 120.40 119.26 1kvz s VAL 58 Ca 0.14 -0.84 -0.01 0.00 -2.93 0.00 0.00 61.98 58.35 1kvz s VAL 58 Cb -0.16 -2.09 -0.02 0.00 -1.53 0.00 0.00 36.38 32.58 1kvz s VAL 58 CO 0.12 0.57 -0.11 -0.76 -3.33 0.00 0.00 175.10 171.59 1kvz s LEU 59 N -0.76 2.84 0.21 2.54 1.43 -1.26 -0.91 118.68 122.76 1kvz s LEU 59 Ca 0.11 -0.27 -0.32 0.00 -1.03 0.00 0.00 54.13 52.62 1kvz s LEU 59 Cb -0.10 -1.64 -0.12 0.00 0.03 0.00 0.00 46.19 44.35 1kvz s LEU 59 CO 0.01 0.18 1.67 -1.54 0.23 0.00 0.00 176.35 176.90 1kvz n SER 60 N 3.41 3.77 0.13 2.29 3.41 -0.92 -4.88 113.62 120.83 1kvz n SER 60 Ca -0.18 1.08 -0.02 0.00 -0.26 0.00 0.00 58.87 59.49 1kvz n SER 60 Cb 0.53 -1.54 0.13 0.00 -0.26 0.00 0.00 64.21 63.06 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 6.34 0.00 -3.39 4.04 -0.73 -1.98 -3.42 115.58 116.44 1kvz h ASN 61 Ca -0.44 0.00 -0.65 0.00 1.87 0.00 0.00 56.30 57.08 1kvz h ASN 61 Cb 1.22 0.00 -0.20 0.00 0.27 0.00 0.00 38.32 39.61 1kvz h ASN 61 CO 0.92 0.66 -0.67 -0.94 -0.37 0.00 0.00 177.43 177.04 1kvz s SER 62 N -6.77 4.81 0.11 1.15 1.04 -1.26 -5.04 113.70 107.74 1kvz s SER 62 Ca -0.01 -0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.06 1kvz s SER 62 Cb 0.12 -1.58 -0.06 0.00 0.10 0.00 0.00 66.02 64.59 1kvz s SER 62 CO 0.77 0.25 1.19 -1.61 0.98 0.00 0.00 173.24 174.82 1kvz s GLU 63 N -0.11 4.46 0.44 4.02 2.02 -1.26 -4.66 118.70 123.61 1kvz s GLU 63 Ca 0.02 1.80 0.07 0.00 0.02 0.00 0.00 54.97 56.88 1kvz s GLU 63 Cb -0.13 -3.31 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 1kvz s GLU 63 CO 0.03 -0.19 0.25 -0.06 0.02 0.00 0.00 175.26 175.31 1kvz s PHE 64 N 0.65 2.41 0.43 1.61 0.08 -1.04 -4.72 117.98 117.41 1kvz s PHE 64 Ca 0.56 -0.64 -0.24 0.00 0.12 0.00 0.00 56.93 56.74 1kvz s PHE 64 Cb -0.30 -1.98 -0.08 0.00 -0.57 0.00 0.00 43.02 40.09 1kvz s PHE 64 CO 0.32 0.01 1.13 0.71 -0.10 0.00 0.00 175.22 177.28 1kvz s TYR 65 N -2.62 3.03 -0.18 0.36 2.02 -1.26 -2.44 117.35 116.26 1kvz s TYR 65 Ca 0.39 1.57 -0.01 0.00 -0.37 0.00 0.00 57.07 58.65 1kvz s TYR 65 Cb 0.01 -3.30 0.05 0.00 -0.40 0.00 0.00 41.96 38.32 1kvz s TYR 65 CO 0.22 -1.20 -0.02 -0.51 -1.57 0.00 0.00 175.55 172.47 1kvz s LEU 66 N -2.82 1.55 -0.47 -1.29 1.43 0.12 -1.87 118.68 115.33 1kvz s LEU 66 Ca 0.61 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.80 1kvz s LEU 66 Cb -0.27 -0.82 0.07 0.00 0.03 0.00 0.00 46.19 45.20 1kvz s LEU 66 CO 0.33 -0.23 0.40 0.00 0.23 0.00 0.00 176.35 177.08 1kvz s ALA 67 N 1.69 3.55 0.36 4.21 0.00 -0.66 -1.78 121.76 129.13 1kvz s ALA 67 Ca -0.01 -2.08 0.08 0.00 0.00 0.00 0.00 51.96 49.96 1kvz s ALA 67 Cb -0.16 -3.08 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1kvz s ALA 67 CO -0.07 -1.73 0.19 -1.83 0.00 0.00 0.00 175.76 172.32 1kvz s GLU 68 N 1.69 2.38 -0.15 0.00 -1.05 -0.35 -1.44 118.70 119.80 1kvz s GLU 68 Ca 0.05 -1.59 0.02 0.00 -0.15 0.00 0.00 54.97 53.30 1kvz s GLU 68 Cb -0.24 -2.18 0.01 0.00 -0.44 0.00 0.00 34.13 31.28 1kvz s GLU 68 CO 0.07 0.02 -0.21 0.00 0.95 0.00 0.00 175.26 176.09 1kvz s ASN 70 N 0.93 3.99 0.17 0.00 3.84 -0.34 -1.37 114.94 122.16 1kvz s ASN 70 Ca -0.04 -1.22 -0.31 0.00 0.21 0.00 0.00 52.86 51.49 1kvz s ASN 70 Cb -0.15 -1.29 -0.10 0.00 -0.55 0.00 0.00 41.25 39.17 1kvz s ASN 70 CO -0.04 -0.22 1.49 -0.69 -2.79 0.00 0.00 177.10 174.85 1kvz s VAL 71 N 1.31 2.79 0.30 -5.21 1.01 -0.34 -1.21 120.40 119.05 1kvz s VAL 71 Ca -0.06 0.59 -0.28 0.00 0.00 0.00 0.00 61.98 62.22 1kvz s VAL 71 Cb -0.19 -3.38 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1kvz s VAL 71 CO -0.06 0.06 1.09 -0.54 0.00 0.00 0.00 175.10 175.65 1kvz s LYS 72 N 0.75 4.54 0.50 2.72 1.02 -0.84 -4.93 119.74 123.50 1kvz s LYS 72 Ca 0.66 1.76 -0.16 0.00 0.02 0.00 0.00 55.97 58.25 1kvz s LYS 72 Cb -0.42 -3.07 -0.08 0.00 -0.52 0.00 0.00 37.83 33.75 1kvz s LYS 72 CO 0.34 0.14 0.96 -1.25 -0.92 0.00 0.00 175.35 174.62 1kvz s PRO 73 N -1.64 3.93 -1.18 -1.68 0.04 -1.26 -3.96 135.00 129.24 1kvz s PRO 73 Ca 0.47 0.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.39 1kvz s PRO 73 Cb -0.30 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1kvz s PRO 73 CO 0.39 -0.24 0.28 0.54 0.04 0.00 0.00 177.00 178.01 1kvz n ARG 74 N -1.53 -2.68 -3.97 4.56 1.74 -1.26 -4.99 116.66 108.52 1kvz n ARG 74 Ca 0.06 0.68 -0.09 0.00 -0.77 0.00 0.00 57.85 57.73 1kvz n ARG 74 Cb 0.54 -5.02 -0.04 0.00 -1.02 0.00 0.00 32.46 26.92 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 -5.14 1.67 0.00 5.56 1.02 -1.25 -5.18 119.74 116.41 1kvz s LYS 75 Ca 0.14 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.85 1kvz s LYS 75 Cb -0.06 0.50 0.00 0.00 -0.52 0.00 0.00 37.83 37.75 1kvz s LYS 75 CO 0.17 -0.71 0.00 -0.35 -0.92 0.00 0.00 175.35 173.54 1kvz n PRO 76 N -0.42 0.61 -0.88 -1.68 -0.04 -1.26 -4.77 135.00 126.57 1kvz n PRO 76 Ca -0.02 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.15 1kvz n PRO 76 Cb 0.61 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.04 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 3.89 3.89 0.18 0.00 1.02 -1.26 -5.00 119.74 122.46 1kvz s LYS 78 Ca 0.45 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 56.10 1kvz s LYS 78 Cb 0.11 -3.35 -0.03 0.00 -0.52 0.00 0.00 37.83 34.04 1kvz s LYS 78 CO 0.01 0.05 0.27 0.71 -0.92 0.00 0.00 175.35 175.47 1kvz s TYR 79 N 1.02 3.40 -0.03 3.18 2.02 -1.26 -1.99 117.35 123.68 1kvz s TYR 79 Ca 0.05 0.04 0.05 0.00 -0.37 0.00 0.00 57.07 56.85 1kvz s TYR 79 Cb -0.14 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 1kvz s TYR 79 CO 0.03 0.50 -0.19 0.21 -1.57 0.00 0.00 175.55 174.53 1kvz s LYS 80 N -3.46 1.78 -0.01 -0.62 2.47 -0.35 -4.88 119.74 114.67 1kvz s LYS 80 Ca 0.34 -0.69 -0.26 0.00 -1.56 0.00 0.00 55.97 53.80 1kvz s LYS 80 Cb -0.10 -1.62 -0.04 0.00 -1.46 0.00 0.00 37.83 34.61 1kvz s LYS 80 CO 0.28 0.35 0.80 -1.17 0.16 0.00 0.00 175.35 175.76 1kvz s LEU 81 N -0.23 4.38 -0.04 5.43 1.98 -1.26 -1.20 118.68 127.73 1kvz s LEU 81 Ca 0.02 1.41 0.00 0.00 -2.89 0.00 0.00 54.13 52.67 1kvz s LEU 81 Cb -0.10 -3.27 0.03 0.00 0.66 0.00 0.00 46.19 43.51 1kvz s LEU 81 CO 0.01 -0.11 -0.01 -0.54 -1.89 0.00 0.00 176.35 173.81 1kvz s LYS 82 N 0.56 0.47 0.04 1.98 1.02 -0.95 -4.98 119.74 117.89 1kvz s LYS 82 Ca 0.42 0.06 0.02 0.00 0.02 0.00 0.00 55.97 56.49 1kvz s LYS 82 Cb -0.20 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.40 1kvz s LYS 82 CO 0.22 -0.17 0.03 -1.59 -0.92 0.00 0.00 175.35 172.93 1kvz s LYS 83 N 1.26 2.79 0.35 1.68 0.00 -1.26 -1.21 119.74 123.36 1kvz s LYS 83 Ca -0.06 -0.67 -0.17 0.00 0.00 0.00 0.00 55.97 55.06 1kvz s LYS 83 Cb -0.13 -2.68 0.04 0.00 0.00 0.00 0.00 37.83 35.06 1kvz s LYS 83 CO -0.02 0.59 0.76 -1.54 0.00 0.00 0.00 175.35 175.14 1kvz s SER 84 N -2.00 -0.08 -0.10 0.03 1.04 -0.74 -4.95 113.70 106.91 1kvz s SER 84 Ca 0.24 -0.97 -0.02 0.00 0.48 0.00 0.00 55.95 55.68 1kvz s SER 84 Cb -0.12 0.81 0.04 0.00 0.10 0.00 0.00 66.02 66.85 1kvz s SER 84 CO 0.16 -1.58 0.02 -0.94 0.98 0.00 0.00 173.24 171.88 1kvz s SER 85 N -3.02 1.85 0.07 7.02 1.04 -1.26 0.15 113.70 119.54 1kvz s SER 85 Ca 0.14 -0.25 -0.28 0.00 0.48 0.00 0.00 55.95 56.05 1kvz s SER 85 Cb -0.05 -0.43 0.09 0.00 0.10 0.00 0.00 66.02 65.73 1kvz s SER 85 CO 0.10 -0.23 1.13 0.21 0.98 0.00 0.00 173.24 175.43 1kvz s ASN 86 N 1.98 -0.11 0.66 7.02 2.47 -1.02 -4.88 114.94 121.06 1kvz s ASN 86 Ca 0.04 -0.28 -0.03 0.00 0.42 0.00 0.00 52.86 53.01 1kvz s ASN 86 Cb -0.13 0.32 0.07 0.00 -1.45 0.00 0.00 41.25 40.06 1kvz s ASN 86 CO -0.06 -0.60 0.93 -0.13 -3.72 0.00 0.00 177.10 173.52 1kvz s ARG 87 N -2.80 2.12 -0.01 0.43 0.52 -1.26 -2.48 118.95 115.46 1kvz s ARG 87 Ca 0.14 -0.69 -0.01 0.00 -0.52 0.00 0.00 55.73 54.65 1kvz s ARG 87 Cb 0.02 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 33.17 1kvz s ARG 87 CO -0.01 -1.15 0.03 0.96 0.02 0.00 0.00 175.30 175.16 1kvz s ILE 88 N -3.07 0.00 -0.31 1.52 -4.36 -1.26 -2.45 121.20 111.27 1kvz s ILE 88 Ca 0.61 -0.04 -0.12 0.00 -0.26 0.00 0.00 60.65 60.84 1kvz s ILE 88 Cb -0.09 -0.07 -0.03 0.00 1.25 0.00 0.00 42.46 43.52 1kvz s ILE 88 CO 0.43 -0.02 0.24 0.00 0.24 0.00 0.00 174.94 175.83 1kvz s ILE 90 N 1.79 2.26 -0.36 0.00 -4.36 -0.09 -0.68 121.20 119.75 1kvz s ILE 90 Ca 0.08 -2.19 -0.15 0.00 -0.26 0.00 0.00 60.65 58.13 1kvz s ILE 90 Cb -0.17 -2.14 -0.00 0.00 1.25 0.00 0.00 42.46 41.40 1kvz s ILE 90 CO 0.11 -0.31 0.35 -0.60 0.24 0.00 0.00 174.94 174.73 1kvz s ARG 91 N -3.13 3.42 -0.07 0.37 3.52 -0.35 -0.75 118.95 121.96 1kvz s ARG 91 Ca 0.24 -0.56 -0.00 0.00 -0.13 0.00 0.00 55.73 55.28 1kvz s ARG 91 Cb -0.06 -3.85 -0.03 0.00 -1.56 0.00 0.00 34.95 29.45 1kvz s ARG 91 CO 0.11 -0.59 -0.04 0.00 -0.81 0.00 0.00 175.30 173.97 1kvz s GLU 93 N -0.85 0.68 -1.60 0.00 -1.05 -0.86 -0.74 118.70 114.28 1kvz s GLU 93 Ca 0.13 0.75 0.00 0.00 -0.15 0.00 0.00 54.97 55.70 1kvz s GLU 93 Cb -0.11 0.33 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 1kvz s GLU 93 CO 0.02 -0.09 0.00 0.72 0.95 0.00 0.00 175.26 176.86 1kvz n HIS 94 N 2.68 -0.72 -2.69 4.83 8.25 -0.45 -1.94 115.22 125.19 1kvz n HIS 94 Ca -0.14 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.15 1kvz n HIS 94 Cb 0.56 -3.48 0.02 0.00 1.12 0.00 0.00 29.99 28.20 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 -2.69 -3.06 -3.68 -0.41 1.02 0.49 -4.97 120.64 107.34 1kvz n GLU 95 Ca -0.21 0.73 -0.09 0.00 -0.02 0.00 0.00 57.16 57.57 1kvz n GLU 95 Cb 0.65 -5.15 -0.10 0.00 -0.02 0.00 0.00 31.44 26.82 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 -5.08 -0.32 -0.27 -4.62 0.05 -0.82 -4.68 118.68 102.94 1kvz s LEU 96 Ca 0.17 1.02 -0.29 0.00 0.05 0.00 0.00 54.13 55.07 1kvz s LEU 96 Cb -0.07 1.53 0.00 0.00 -2.05 0.00 0.00 46.19 45.60 1kvz s LEU 96 CO 0.20 -0.21 1.20 -2.16 -0.55 0.00 0.00 176.35 174.84 1kvz s PRO 97 N 1.63 4.06 -0.01 1.48 0.04 -1.26 -2.03 135.00 138.91 1kvz s PRO 97 Ca -0.09 1.29 0.16 0.00 0.04 0.00 0.00 61.00 62.40 1kvz s PRO 97 Cb -0.08 -3.79 -0.22 0.00 0.04 0.00 0.00 34.50 30.45 1kvz s PRO 97 CO -0.14 -0.92 0.46 1.33 0.04 0.00 0.00 177.00 177.77 1kvz n VAL 98 N 5.84 0.00 -4.06 -0.36 0.24 -0.85 -3.80 118.33 115.34 1kvz n VAL 98 Ca 0.13 -0.28 -0.08 0.00 -2.04 0.00 0.00 64.34 62.07 1kvz n VAL 98 Cb 0.46 0.45 -0.09 0.00 -1.47 0.00 0.00 33.84 33.20 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 -2.86 0.57 -0.32 6.34 3.76 -1.24 -4.32 115.29 117.23 1kvz s HIS 99 Ca -0.02 -1.02 -0.10 0.00 -0.15 0.00 0.00 55.06 53.77 1kvz s HIS 99 Cb 0.11 -0.34 0.00 0.00 1.11 0.00 0.00 32.58 33.46 1kvz s HIS 99 CO 0.65 -0.49 0.16 0.12 -0.85 0.00 0.00 174.74 174.32 1kvz s PHE 100 N -3.96 3.19 -0.09 1.40 5.36 -1.26 -1.21 117.98 121.41 1kvz s PHE 100 Ca 0.14 -0.71 -0.23 0.00 -0.96 0.00 0.00 56.93 55.16 1kvz s PHE 100 Cb 0.07 -2.36 -0.20 0.00 -0.34 0.00 0.00 43.02 40.19 1kvz s PHE 100 CO -0.05 -0.51 0.79 0.00 -1.46 0.00 0.00 175.22 173.99 1kvz h ALA 101 N 8.36 -0.05 -3.00 11.12 0.00 -1.19 -3.47 119.26 131.02 1kvz h ALA 101 Ca -0.30 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1kvz h ALA 101 Cb 1.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1kvz h ALA 101 CO 0.63 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1kvz n GLY 102 N 1.15 1.03 3.01 0.00 0.00 -0.59 -4.98 105.19 104.82 1kvz n GLY 102 Ca -0.08 -0.54 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.90 0.42 0.00 1.61 0.11 -1.26 -0.52 120.40 118.86 1kvz s VAL 103 Ca 0.00 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.29 1kvz s VAL 103 Cb 0.00 -0.46 0.00 0.00 -1.53 0.00 0.00 36.38 34.39 1kvz s VAL 103 CO 0.00 -0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 1kvz n GLY 104 N 1.98 0.85 3.60 6.54 0.00 -1.03 -4.64 105.19 112.49 1kvz n GLY 104 Ca -0.20 0.59 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 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 3.96 -0.00 -0.61 -4.36 -1.26 -4.87 121.20 114.07 1kvz s ILE 105 Ca 0.00 -0.37 0.01 0.00 -0.26 0.00 0.00 60.65 60.03 1kvz s ILE 105 Cb 0.00 -2.66 -0.04 0.00 1.25 0.00 0.00 42.46 41.01 1kvz s ILE 105 CO 0.00 0.58 0.03 0.00 0.24 0.00 0.00 174.94 175.79