#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvz n GLN 2 N 0.00 0.00 -1.98 2.12 6.02 -1.19 -4.96 117.38 117.39 1kvz n GLN 2 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1kvz n GLN 2 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1kvz n GLN 2 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1kvz n ASP 3 N -3.02 0.16 -0.03 1.08 9.92 -1.26 -4.75 116.55 118.65 1kvz n ASP 3 Ca 0.00 -0.99 -0.12 0.00 -0.53 0.00 0.00 54.79 53.15 1kvz n ASP 3 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 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 0.99 -1.22 -0.95 1.24 -0.00 -1.90 -2.19 115.95 111.92 1kvz h TRP 4 Ca 0.00 0.05 0.27 0.00 -0.00 0.00 0.00 58.89 59.21 1kvz h TRP 4 Cb 0.00 0.56 -0.17 0.00 -0.00 0.00 0.00 29.16 29.55 1kvz h TRP 4 CO 0.00 -0.47 0.11 0.00 -0.00 0.00 0.00 178.44 178.09 1kvz h ALA 5 N 0.18 1.25 -0.29 2.65 0.00 -1.97 0.51 119.26 121.59 1kvz h ALA 5 Ca 0.09 0.30 -0.11 0.00 0.00 0.00 0.00 54.91 55.19 1kvz h ALA 5 Cb 0.62 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1kvz h ALA 5 CO -0.44 -0.57 -0.25 1.79 0.00 0.00 0.00 179.25 179.77 1kvz h THR 6 N 0.06 1.30 0.00 0.00 1.35 -1.78 -2.77 112.91 111.07 1kvz h THR 6 Ca 0.60 -1.41 -0.05 0.00 -0.55 0.00 0.00 66.41 64.99 1kvz h THR 6 Cb 1.25 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.22 1kvz h THR 6 CO -0.83 0.45 -0.24 0.15 -0.25 0.00 0.00 175.52 174.80 1kvz h PHE 7 N 0.43 0.00 0.08 4.73 3.57 -0.07 0.11 116.94 125.78 1kvz h PHE 7 Ca 0.05 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 1kvz h PHE 7 Cb 0.82 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1kvz h PHE 7 CO 0.07 0.24 -0.04 -0.22 -2.23 0.00 0.00 178.31 176.13 1kvz h LYS 8 N 0.00 -0.10 0.00 1.11 3.11 0.10 0.23 116.57 121.03 1kvz h LYS 8 Ca -0.00 0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.73 1kvz h LYS 8 Cb 0.44 0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.67 1kvz h LYS 8 CO 0.03 0.10 -0.54 0.87 -2.81 0.00 0.00 179.45 177.10 1kvz h LYS 9 N -0.28 0.00 0.16 1.90 1.57 -1.29 -0.87 116.57 117.76 1kvz h LYS 9 Ca -0.01 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1kvz h LYS 9 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1kvz h LYS 9 CO 0.02 0.54 -0.08 0.87 -0.57 0.00 0.00 179.45 180.22 1kvz h LYS 10 N 0.00 -0.21 -0.01 3.15 1.79 -0.59 -3.40 116.57 117.30 1kvz h LYS 10 Ca -0.01 0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1kvz h LYS 10 Cb 1.18 0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 31.81 1kvz h LYS 10 CO 0.07 0.11 -0.58 0.72 -1.08 0.00 0.00 179.45 178.69 1kvz n HIS 11 N -4.91 0.04 -3.80 -1.35 8.25 0.80 -3.91 115.22 110.35 1kvz n HIS 11 Ca -0.06 -1.37 -0.13 0.00 -0.26 0.00 0.00 57.72 55.90 1kvz n HIS 11 Cb 0.21 -0.24 -0.11 0.00 1.12 0.00 0.00 29.99 30.97 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 -2.80 1.14 0.33 2.41 1.02 -0.33 -1.22 118.68 119.24 1kvz s LEU 12 Ca 0.38 0.35 -0.02 0.00 0.02 0.00 0.00 54.13 54.86 1kvz s LEU 12 Cb 0.37 0.82 -0.00 0.00 0.02 0.00 0.00 46.19 47.40 1kvz s LEU 12 CO -0.08 -0.15 0.45 0.28 0.02 0.00 0.00 176.35 176.87 1kvz s THR 13 N -0.19 0.00 -0.14 5.49 -1.32 -0.97 -4.36 115.64 114.15 1kvz s THR 13 Ca -0.03 -1.63 0.17 0.00 -1.21 0.00 0.00 61.69 58.98 1kvz s THR 13 Cb -0.03 -2.61 0.30 0.00 -1.51 0.00 0.00 72.50 68.66 1kvz s THR 13 CO 0.01 0.00 1.15 -0.90 -2.21 0.00 0.00 174.62 172.67 1kvz n ASP 14 N -1.35 2.08 -3.63 8.08 5.75 -1.26 -4.44 116.55 121.79 1kvz n ASP 14 Ca 0.01 -3.17 -0.11 0.00 -0.01 0.00 0.00 54.79 51.52 1kvz n ASP 14 Cb 0.62 -0.43 -0.07 0.00 -1.03 0.00 0.00 41.12 40.21 1kvz n ASP 14 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1kvz s THR 15 N -2.75 0.00 0.37 2.12 2.01 -1.26 -5.03 115.64 111.10 1kvz s THR 15 Ca 0.31 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.38 1kvz s THR 15 Cb 0.28 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.96 1kvz s THR 15 CO 0.01 0.00 1.90 -0.25 -0.69 0.00 0.00 174.62 175.59 1kvz h TRP 16 N 4.19 0.40 -3.73 4.92 7.01 -1.98 -3.31 115.95 123.45 1kvz h TRP 16 Ca -0.27 -0.04 -0.77 0.00 2.11 0.00 0.00 58.89 59.91 1kvz h TRP 16 Cb 1.17 -0.12 -0.28 0.00 -2.10 0.00 0.00 29.16 27.83 1kvz h TRP 16 CO 0.33 0.44 0.07 -0.51 -2.79 0.00 0.00 178.44 175.98 1kvz s ASP 17 N -6.81 6.58 0.65 2.65 1.01 -1.26 -4.66 116.67 114.83 1kvz s ASP 17 Ca -0.07 -2.89 -0.11 0.00 0.71 0.00 0.00 52.55 50.19 1kvz s ASP 17 Cb 0.16 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.92 1kvz s ASP 17 CO 0.75 -0.48 1.05 -0.69 0.21 0.00 0.00 175.17 176.00 1kvz s VAL 18 N -0.14 4.30 -0.64 -1.27 1.01 -1.25 -5.02 120.40 117.39 1kvz s VAL 18 Ca 0.20 0.75 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 1kvz s VAL 18 Cb -0.11 -3.71 0.16 0.00 0.00 0.00 0.00 36.38 32.72 1kvz s VAL 18 CO -0.08 -0.98 0.56 -1.81 0.00 0.00 0.00 175.10 172.80 1kvz s ASP 19 N -4.18 6.22 0.26 3.32 1.11 -1.26 -4.92 116.67 117.22 1kvz s ASP 19 Ca 0.56 -2.25 -0.03 0.00 0.18 0.00 0.00 52.55 51.01 1kvz s ASP 19 Cb -0.11 -2.14 0.42 0.00 1.07 0.00 0.00 42.92 42.16 1kvz s ASP 19 CO 0.54 -0.67 1.85 0.00 1.18 0.00 0.00 175.17 178.06 1kvz n ASP 21 N -4.60 0.00 -0.12 0.00 5.68 -1.26 -0.42 116.55 115.83 1kvz n ASP 21 Ca 0.15 0.48 -0.14 0.00 -0.50 0.00 0.00 54.79 54.78 1kvz n ASP 21 Cb 0.24 -0.48 -0.14 0.00 -1.14 0.00 0.00 41.12 39.60 1kvz n ASP 21 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1kvz n ASN 22 N -1.48 1.01 -0.12 -1.12 4.13 -0.30 -4.53 115.26 112.85 1kvz n ASN 22 Ca 0.01 -0.07 -0.24 0.00 1.68 0.00 0.00 54.58 55.96 1kvz n ASN 22 Cb 0.05 0.28 -0.09 0.00 -1.54 0.00 0.00 39.78 38.48 1kvz n ASN 22 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1kvz n LEU 23 N -3.01 2.04 -0.08 3.41 7.99 -1.05 -4.44 117.00 121.85 1kvz n LEU 23 Ca -0.40 0.19 -0.06 0.00 -0.01 0.00 0.00 56.01 55.73 1kvz n LEU 23 Cb 1.07 -0.74 -0.00 0.00 -0.11 0.00 0.00 43.42 43.64 1kvz n LEU 23 CO 0.34 0.60 0.75 -0.03 -1.51 0.00 0.00 177.39 177.55 1kvz h MET 24 N -0.66 -0.11 0.00 3.23 4.05 -1.00 -1.67 114.93 118.77 1kvz h MET 24 Ca -0.60 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.83 1kvz h MET 24 Cb 1.61 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 32.43 1kvz h MET 24 CO -0.30 -0.07 0.00 -0.35 0.23 0.00 0.00 176.91 176.41 1kvz n PRO 25 N -5.34 0.91 -0.61 0.39 -0.04 -1.25 0.52 135.00 129.58 1kvz n PRO 25 Ca 0.01 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.38 1kvz n PRO 25 Cb 0.25 -1.06 0.06 0.00 -0.04 0.00 0.00 33.50 32.72 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 -0.56 0.00 0.08 0.52 -1.04 -0.63 -4.63 114.28 108.03 1kvz n THR 26 Ca 0.02 -0.31 -0.04 0.00 -2.04 0.00 0.00 64.05 61.69 1kvz n THR 26 Cb 0.01 -1.82 -0.08 0.00 -1.82 0.00 0.00 70.33 66.62 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 -0.52 0.00 -0.14 8.00 4.64 -1.89 0.35 113.55 123.99 1kvz h SER 27 Ca -0.13 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 1kvz h SER 27 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1kvz h SER 27 CO 0.09 0.83 -0.26 0.25 -0.87 0.00 0.00 176.83 176.88 1kvz h LEU 28 N 0.00 0.47 0.10 5.97 5.85 -1.92 -3.24 115.31 122.54 1kvz h LEU 28 Ca -0.03 -0.55 -0.28 0.00 0.84 0.00 0.00 57.88 57.86 1kvz h LEU 28 Cb 1.66 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 42.55 1kvz h LEU 28 CO 0.10 0.93 -1.36 -0.26 -0.34 0.00 0.00 178.44 177.52 1kvz h PHE 29 N 0.02 0.39 -5.17 1.25 -1.00 -1.72 -3.48 116.94 107.24 1kvz h PHE 29 Ca 0.01 -0.29 -0.40 0.00 2.81 0.00 0.00 57.97 60.10 1kvz h PHE 29 Cb 0.85 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 40.37 1kvz h PHE 29 CO 0.10 1.28 -0.59 -3.47 -1.61 0.00 0.00 178.31 174.01 1kvz n ASP 30 N -3.45 -4.77 -3.42 2.17 2.03 0.12 -0.73 116.55 108.50 1kvz n ASP 30 Ca -0.11 -0.39 -0.22 0.00 0.52 0.00 0.00 54.79 54.59 1kvz n ASP 30 Cb 1.02 -3.88 0.08 0.00 -0.72 0.00 0.00 41.12 37.62 1kvz n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1kvz n LYS 32 N -4.73 -2.94 -0.02 0.00 5.02 0.09 -4.99 118.16 110.59 1kvz n LYS 32 Ca -0.00 -0.96 -0.00 0.00 -2.02 0.00 0.00 58.31 55.33 1kvz n LYS 32 Cb 0.56 -1.46 -0.00 0.00 -0.02 0.00 0.00 35.03 34.11 1kvz n LYS 32 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1kvz h ASP 33 N -3.06 0.00 -4.35 4.39 3.32 -1.93 -3.46 116.42 111.33 1kvz h ASP 33 Ca -0.26 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.58 1kvz h ASP 33 Cb 0.87 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.18 1kvz h ASP 33 CO 0.16 0.16 -0.71 -0.54 -1.72 0.00 0.00 179.24 176.59 1kvz s LYS 34 N -1.20 0.19 0.03 3.56 1.02 -1.26 -2.23 119.74 119.85 1kvz s LYS 34 Ca -0.01 -0.32 0.02 0.00 0.02 0.00 0.00 55.97 55.68 1kvz s LYS 34 Cb 0.00 0.01 -0.02 0.00 -0.52 0.00 0.00 37.83 37.30 1kvz s LYS 34 CO 0.01 -0.01 -0.06 -0.80 -0.92 0.00 0.00 175.35 173.56 1kvz s ASN 35 N -0.74 0.69 -0.14 2.83 -0.87 -0.96 -4.96 114.94 110.78 1kvz s ASN 35 Ca -0.08 -0.48 0.01 0.00 -1.57 0.00 0.00 52.86 50.75 1kvz s ASN 35 Cb -0.05 0.04 0.02 0.00 -0.02 0.00 0.00 41.25 41.23 1kvz s ASN 35 CO -0.00 -0.19 -0.17 -0.89 -2.57 0.00 0.00 177.10 173.28 1kvz s THR 36 N -1.23 1.72 0.27 1.60 2.01 -1.26 -0.05 115.64 118.70 1kvz s THR 36 Ca -0.10 -0.75 0.07 0.00 0.31 0.00 0.00 61.69 61.22 1kvz s THR 36 Cb -0.09 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.81 1kvz s THR 36 CO 0.00 0.48 0.27 -0.36 -0.69 0.00 0.00 174.62 174.32 1kvz s PHE 37 N 1.18 3.15 0.05 4.92 0.08 0.59 -3.76 117.98 124.19 1kvz s PHE 37 Ca -0.01 -0.13 0.06 0.00 0.12 0.00 0.00 56.93 56.98 1kvz s PHE 37 Cb -0.14 -1.54 -0.03 0.00 -0.57 0.00 0.00 43.02 40.74 1kvz s PHE 37 CO -0.07 0.42 -0.14 0.42 -0.10 0.00 0.00 175.22 175.75 1kvz s ILE 38 N -2.13 3.10 -1.16 0.64 -1.09 -0.36 -1.84 121.20 118.36 1kvz s ILE 38 Ca 0.35 -1.13 -0.11 0.00 -2.23 0.00 0.00 60.65 57.53 1kvz s ILE 38 Cb -0.08 -2.36 0.23 0.00 -1.58 0.00 0.00 42.46 38.68 1kvz s ILE 38 CO 0.26 0.29 1.26 -0.47 -1.23 0.00 0.00 174.94 175.06 1kvz s TYR 39 N -1.01 3.94 0.37 3.97 5.04 -0.26 -2.30 117.35 127.10 1kvz s TYR 39 Ca 0.17 -2.46 -0.14 0.00 -2.44 0.00 0.00 57.07 52.20 1kvz s TYR 39 Cb -0.11 -4.05 0.04 0.00 0.35 0.00 0.00 41.96 38.20 1kvz s TYR 39 CO 0.08 -1.15 0.73 -1.12 -1.34 0.00 0.00 175.55 172.75 1kvz s SER 40 N 1.97 0.13 0.23 4.32 0.01 -1.26 -4.54 113.70 114.56 1kvz s SER 40 Ca 0.36 -1.17 0.08 0.00 1.31 0.00 0.00 55.95 56.53 1kvz s SER 40 Cb -0.07 0.81 -0.04 0.00 0.21 0.00 0.00 66.02 66.94 1kvz s SER 40 CO -0.04 -1.60 0.07 -0.76 0.41 0.00 0.00 173.24 171.32 1kvz s LEU 41 N -3.09 3.48 0.04 2.44 2.01 -1.26 -4.63 118.68 117.67 1kvz s LEU 41 Ca 0.18 -0.41 0.25 0.00 0.01 0.00 0.00 54.13 54.15 1kvz s LEU 41 Cb -0.04 -2.04 1.01 0.00 0.01 0.00 0.00 46.19 45.12 1kvz s LEU 41 CO 0.13 0.02 1.78 -0.81 1.01 0.00 0.00 176.35 178.47 1kvz n PRO 42 N -0.75 0.05 0.09 1.29 -0.04 -1.26 -2.59 135.00 131.80 1kvz n PRO 42 Ca -0.08 0.12 -0.09 0.00 -0.04 0.00 0.00 63.50 63.41 1kvz n PRO 42 Cb 0.57 -1.56 -0.06 0.00 -0.04 0.00 0.00 33.50 32.41 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 4.12 -0.33 2.00 0.55 0.00 -1.97 -1.74 103.07 105.69 1kvz h GLY 43 Ca 0.00 0.12 -0.14 0.00 0.00 0.00 0.00 47.33 47.31 1kvz h GLY 43 CO 0.00 -0.12 -0.67 -0.56 0.00 0.00 0.00 176.54 175.19 1kvz h PRO 44 N -0.98 0.00 0.20 4.80 0.13 -1.99 -1.12 132.00 133.04 1kvz h PRO 44 Ca -0.03 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1kvz h PRO 44 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 1kvz h PRO 44 CO 0.05 0.67 -0.10 0.28 -0.23 0.00 0.00 178.00 178.68 1kvz h VAL 45 N 0.00 0.81 0.00 1.56 2.07 -1.61 -3.00 116.25 116.08 1kvz h VAL 45 Ca -0.01 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.55 1kvz h VAL 45 Cb 1.24 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1kvz h VAL 45 CO 0.09 0.19 -0.07 0.50 0.02 0.00 0.00 177.57 178.29 1kvz h LYS 46 N -0.81 0.00 -0.72 1.57 3.64 -1.37 -2.25 116.57 116.63 1kvz h LYS 46 Ca -0.03 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 1kvz h LYS 46 Cb 0.52 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 1kvz h LYS 46 CO 0.05 0.07 0.47 0.00 -2.27 0.00 0.00 179.45 177.77 1kvz h ALA 47 N 1.93 1.59 -0.07 5.00 0.00 -1.05 -0.41 119.26 126.24 1kvz h ALA 47 Ca -0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1kvz h ALA 47 Cb 0.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1kvz h ALA 47 CO 0.01 0.34 -0.37 -0.07 0.00 0.00 0.00 179.25 179.16 1kvz h LEU 48 N 0.87 0.15 -0.03 0.00 3.38 -1.40 -2.38 115.31 115.90 1kvz h LEU 48 Ca 0.29 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1kvz h LEU 48 Cb 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1kvz h LEU 48 CO -0.08 0.51 0.00 0.00 0.09 0.00 0.00 178.44 178.96 1kvz n ARG 50 N -1.67 0.56 0.00 0.00 0.63 -0.90 -0.65 116.66 114.64 1kvz n ARG 50 Ca 0.06 -0.65 0.00 0.00 -0.92 0.00 0.00 57.85 56.34 1kvz n ARG 50 Cb 0.33 -3.38 0.00 0.00 0.45 0.00 0.00 32.46 29.86 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 6.58 1.30 3.71 5.14 0.00 -1.26 -5.09 105.19 115.57 1kvz n GLY 51 Ca 0.48 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.08 1kvz n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kvz s VAL 52 N -0.02 4.08 -0.05 1.61 0.11 0.18 -4.91 120.40 121.40 1kvz s VAL 52 Ca 0.00 1.51 0.01 0.00 -2.93 0.00 0.00 61.98 60.57 1kvz s VAL 52 Cb 0.00 -3.97 -0.03 0.00 -1.53 0.00 0.00 36.38 30.85 1kvz s VAL 52 CO 0.00 0.13 -0.03 -0.38 -3.33 0.00 0.00 175.10 171.48 1kvz n ILE 53 N 3.80 0.27 -3.22 7.04 2.08 -1.26 -1.00 119.36 127.06 1kvz n ILE 53 Ca 0.08 -0.11 -0.20 0.00 0.56 0.00 0.00 62.75 63.08 1kvz n ILE 53 Cb 0.47 -0.70 0.02 0.00 -0.75 0.00 0.00 39.64 38.68 1kvz n ILE 53 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 1kvz s PHE 54 N -2.09 2.03 -0.12 1.39 -0.12 -1.26 -1.20 117.98 116.60 1kvz s PHE 54 Ca -0.06 -0.61 -0.29 0.00 -0.05 0.00 0.00 56.93 55.92 1kvz s PHE 54 Cb 0.02 -2.21 -0.04 0.00 -0.63 0.00 0.00 43.02 40.15 1kvz s PHE 54 CO 0.11 -0.70 1.62 -1.12 -0.05 0.00 0.00 175.22 175.09 1kvz s SER 55 N -4.44 6.57 0.00 1.98 0.01 -1.25 -3.89 113.70 112.68 1kvz s SER 55 Ca 0.54 1.98 0.01 0.00 1.31 0.00 0.00 55.95 59.79 1kvz s SER 55 Cb -0.06 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 1kvz s SER 55 CO 0.33 -1.04 -0.03 0.00 0.41 0.00 0.00 173.24 172.91 1kvz s ALA 56 N 4.47 0.20 -0.27 1.44 0.00 -0.27 -4.92 121.76 122.41 1kvz s ALA 56 Ca 0.72 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.35 1kvz s ALA 56 Cb -0.29 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1kvz s ALA 56 CO 0.28 0.02 0.29 -0.51 0.00 0.00 0.00 175.76 175.84 1kvz s ASP 57 N -0.30 6.15 0.23 0.00 1.01 -1.26 0.07 116.67 122.56 1kvz s ASP 57 Ca -0.02 0.16 0.11 0.00 0.71 0.00 0.00 52.55 53.51 1kvz s ASP 57 Cb -0.02 -2.17 -0.05 0.00 1.01 0.00 0.00 42.92 41.69 1kvz s ASP 57 CO -0.00 -0.11 -0.17 0.54 0.21 0.00 0.00 175.17 175.64 1kvz s VAL 58 N 1.88 2.72 -0.07 -1.27 0.11 0.47 -4.91 120.40 119.32 1kvz s VAL 58 Ca 0.11 -2.06 0.01 0.00 -2.93 0.00 0.00 61.98 57.11 1kvz s VAL 58 Cb -0.16 -2.37 -0.03 0.00 -1.53 0.00 0.00 36.38 32.29 1kvz s VAL 58 CO 0.10 -0.24 -0.07 -0.76 -3.33 0.00 0.00 175.10 170.80 1kvz s LEU 59 N -3.11 3.13 0.43 2.54 1.43 -1.26 -1.01 118.68 120.84 1kvz s LEU 59 Ca 0.26 -0.04 -0.24 0.00 -1.03 0.00 0.00 54.13 53.08 1kvz s LEU 59 Cb -0.07 -1.68 -0.10 0.00 0.03 0.00 0.00 46.19 44.37 1kvz s LEU 59 CO 0.14 0.36 1.03 -1.54 0.23 0.00 0.00 176.35 176.56 1kvz n SER 60 N 2.27 1.33 0.15 2.29 3.41 -0.31 -4.88 113.62 117.88 1kvz n SER 60 Ca -0.18 1.03 0.01 0.00 -0.26 0.00 0.00 58.87 59.47 1kvz n SER 60 Cb 0.53 -1.37 0.23 0.00 -0.26 0.00 0.00 64.21 63.34 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 1.53 0.00 -4.19 4.04 -0.26 -1.98 -3.45 115.58 111.27 1kvz h ASN 61 Ca -0.45 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.14 1kvz h ASN 61 Cb 1.34 0.00 -0.24 0.00 -1.06 0.00 0.00 38.32 38.36 1kvz h ASN 61 CO 0.57 0.54 -0.38 -0.44 -1.06 0.00 0.00 177.43 176.65 1kvz s SER 62 N -6.74 -0.23 0.36 5.81 0.01 -1.26 -5.13 113.70 106.51 1kvz s SER 62 Ca -0.01 0.38 -0.29 0.00 1.31 0.00 0.00 55.95 57.35 1kvz s SER 62 Cb 0.12 0.48 -0.11 0.00 0.21 0.00 0.00 66.02 66.72 1kvz s SER 62 CO 0.74 -0.20 1.52 -1.83 0.41 0.00 0.00 173.24 173.89 1kvz s GLU 63 N -0.31 4.10 0.46 12.44 -1.05 -1.26 -4.74 118.70 128.34 1kvz s GLU 63 Ca -0.04 2.59 0.04 0.00 -0.15 0.00 0.00 54.97 57.41 1kvz s GLU 63 Cb -0.03 -2.98 -0.04 0.00 -0.44 0.00 0.00 34.13 30.64 1kvz s GLU 63 CO 0.01 -0.58 0.04 -0.06 0.95 0.00 0.00 175.26 175.63 1kvz s PHE 64 N -0.84 2.19 0.37 4.83 0.08 -1.01 -4.76 117.98 118.84 1kvz s PHE 64 Ca 0.56 -0.80 -0.25 0.00 0.12 0.00 0.00 56.93 56.56 1kvz s PHE 64 Cb -0.47 -1.73 -0.09 0.00 -0.57 0.00 0.00 43.02 40.16 1kvz s PHE 64 CO 0.60 0.28 1.03 0.71 -0.10 0.00 0.00 175.22 177.74 1kvz s TYR 65 N -2.78 3.42 -0.15 0.36 1.51 -1.26 -2.62 117.35 115.83 1kvz s TYR 65 Ca 0.22 1.69 -0.00 0.00 -1.01 0.00 0.00 57.07 57.97 1kvz s TYR 65 Cb 0.05 -3.09 0.03 0.00 -0.11 0.00 0.00 41.96 38.85 1kvz s TYR 65 CO 0.12 -0.39 -0.09 -0.51 -1.11 0.00 0.00 175.55 173.57 1kvz s LEU 66 N -2.35 1.56 -0.33 -1.29 1.43 0.57 -1.10 118.68 117.16 1kvz s LEU 66 Ca 0.54 -0.52 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 1kvz s LEU 66 Cb -0.22 -1.00 0.02 0.00 0.03 0.00 0.00 46.19 45.02 1kvz s LEU 66 CO 0.28 -0.12 0.13 0.00 0.23 0.00 0.00 176.35 176.87 1kvz s ALA 67 N 1.59 3.15 0.24 4.21 0.00 -0.77 -0.97 121.76 129.21 1kvz s ALA 67 Ca 0.03 -1.60 0.09 0.00 0.00 0.00 0.00 51.96 50.48 1kvz s ALA 67 Cb -0.14 -2.34 -0.04 0.00 0.00 0.00 0.00 23.12 20.60 1kvz s ALA 67 CO -0.09 -1.17 0.00 -1.83 0.00 0.00 0.00 175.76 172.67 1kvz s GLU 68 N 1.50 2.34 -0.40 0.00 -1.05 -1.03 -0.30 118.70 119.76 1kvz s GLU 68 Ca 0.01 -1.32 -0.06 0.00 -0.15 0.00 0.00 54.97 53.45 1kvz s GLU 68 Cb -0.18 -2.23 0.09 0.00 -0.44 0.00 0.00 34.13 31.36 1kvz s GLU 68 CO 0.04 0.39 0.21 0.00 0.95 0.00 0.00 175.26 176.85 1kvz s ASN 70 N 1.93 6.07 -0.19 0.00 -0.87 -0.92 -2.27 114.94 118.69 1kvz s ASN 70 Ca 0.04 -0.11 -0.29 0.00 -1.57 0.00 0.00 52.86 50.93 1kvz s ASN 70 Cb -0.23 -2.14 -0.00 0.00 -0.02 0.00 0.00 41.25 38.86 1kvz s ASN 70 CO -0.00 -0.14 1.13 -0.69 -2.57 0.00 0.00 177.10 174.83 1kvz s VAL 71 N 1.80 4.52 0.55 1.60 1.01 -0.95 -0.92 120.40 128.01 1kvz s VAL 71 Ca 0.08 1.83 -0.20 0.00 0.00 0.00 0.00 61.98 63.68 1kvz s VAL 71 Cb -0.16 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1kvz s VAL 71 CO 0.11 -0.14 1.22 -0.54 0.00 0.00 0.00 175.10 175.74 1kvz s LYS 72 N 3.19 3.22 0.33 2.72 1.02 -0.92 -4.99 119.74 124.31 1kvz s LYS 72 Ca 0.49 1.86 -0.26 0.00 0.02 0.00 0.00 55.97 58.08 1kvz s LYS 72 Cb -0.18 -2.10 -0.10 0.00 -0.52 0.00 0.00 37.83 34.93 1kvz s LYS 72 CO 0.11 -1.02 0.98 -1.25 -0.92 0.00 0.00 175.35 173.25 1kvz s PRO 73 N -3.11 4.53 -1.18 -1.68 0.04 -1.26 -3.54 135.00 128.80 1kvz s PRO 73 Ca 0.73 1.42 0.00 0.00 0.04 0.00 0.00 61.00 63.18 1kvz s PRO 73 Cb -0.31 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.41 1kvz s PRO 73 CO 0.35 0.21 0.00 0.54 0.04 0.00 0.00 177.00 178.14 1kvz n ARG 74 N 0.56 -1.00 -4.59 4.56 1.74 -1.26 -5.01 116.66 111.67 1kvz n ARG 74 Ca 0.02 0.71 -0.23 0.00 -0.77 0.00 0.00 57.85 57.58 1kvz n ARG 74 Cb 0.49 -4.89 -0.14 0.00 -1.02 0.00 0.00 32.46 26.90 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 -4.23 1.20 -1.02 5.56 -0.14 -1.23 -5.08 119.74 114.79 1kvz s LYS 75 Ca 0.00 -0.74 -0.23 0.00 -1.36 0.00 0.00 55.97 53.64 1kvz s LYS 75 Cb 0.00 -1.22 0.03 0.00 -1.68 0.00 0.00 37.83 34.96 1kvz s LYS 75 CO 0.00 0.32 1.58 -1.25 -0.76 0.00 0.00 175.35 175.24 1kvz s PRO 76 N -0.86 3.40 -1.56 -1.68 0.04 -1.26 -4.20 135.00 128.87 1kvz s PRO 76 Ca 0.05 -1.03 -0.13 0.00 0.04 0.00 0.00 61.00 59.93 1kvz s PRO 76 Cb -0.07 -5.31 0.10 0.00 0.04 0.00 0.00 34.50 29.25 1kvz s PRO 76 CO 0.01 -2.48 0.86 0.00 0.04 0.00 0.00 177.00 175.43 1kvz s LYS 78 N -6.67 3.71 0.29 0.00 -0.14 -1.26 -4.97 119.74 110.69 1kvz s LYS 78 Ca 0.59 0.15 0.08 0.00 -1.36 0.00 0.00 55.97 55.42 1kvz s LYS 78 Cb -0.31 -3.14 -0.06 0.00 -1.68 0.00 0.00 37.83 32.64 1kvz s LYS 78 CO 0.87 0.68 -0.08 0.71 -0.76 0.00 0.00 175.35 176.76 1kvz s TYR 79 N -1.17 2.05 -0.05 3.18 2.02 -1.26 -2.16 117.35 119.96 1kvz s TYR 79 Ca 0.24 -0.62 -0.00 0.00 -0.37 0.00 0.00 57.07 56.32 1kvz s TYR 79 Cb -0.14 -1.13 0.03 0.00 -0.40 0.00 0.00 41.96 40.31 1kvz s TYR 79 CO 0.13 0.38 -0.02 0.21 -1.57 0.00 0.00 175.55 174.68 1kvz s LYS 80 N -3.68 0.66 -0.10 -0.62 2.20 -0.09 -4.88 119.74 113.23 1kvz s LYS 80 Ca 0.30 0.01 -0.30 0.00 -0.36 0.00 0.00 55.97 55.62 1kvz s LYS 80 Cb 0.02 -0.84 -0.02 0.00 -1.51 0.00 0.00 37.83 35.49 1kvz s LYS 80 CO 0.13 -0.18 1.08 -1.17 -0.36 0.00 0.00 175.35 174.84 1kvz s LEU 81 N 1.37 4.25 0.30 5.43 1.98 -1.26 -2.17 118.68 128.58 1kvz s LEU 81 Ca -0.04 1.62 0.11 0.00 -2.89 0.00 0.00 54.13 52.92 1kvz s LEU 81 Cb -0.13 -3.56 -0.05 0.00 0.66 0.00 0.00 46.19 43.11 1kvz s LEU 81 CO -0.02 -0.51 -0.13 -0.75 -1.89 0.00 0.00 176.35 173.04 1kvz s LYS 82 N 2.17 1.81 0.14 1.98 2.20 -0.97 -4.99 119.74 122.08 1kvz s LYS 82 Ca 0.51 -1.79 0.08 0.00 -0.36 0.00 0.00 55.97 54.40 1kvz s LYS 82 Cb -0.20 -1.80 -0.04 0.00 -1.51 0.00 0.00 37.83 34.28 1kvz s LYS 82 CO 0.19 0.26 -0.18 -1.59 -0.36 0.00 0.00 175.35 173.66 1kvz s LYS 83 N -3.57 1.18 0.34 4.03 -2.85 -1.26 -2.46 119.74 115.15 1kvz s LYS 83 Ca 0.31 -1.32 -0.16 0.00 -1.00 0.00 0.00 55.97 53.81 1kvz s LYS 83 Cb -0.02 -1.25 0.04 0.00 -2.06 0.00 0.00 37.83 34.54 1kvz s LYS 83 CO 0.16 0.26 0.72 -1.12 0.10 0.00 0.00 175.35 175.47 1kvz s SER 84 N -2.45 0.01 -0.27 0.03 0.01 -0.14 -4.93 113.70 105.95 1kvz s SER 84 Ca 0.12 -1.00 -0.02 0.00 1.31 0.00 0.00 55.95 56.36 1kvz s SER 84 Cb -0.06 0.78 0.16 0.00 0.21 0.00 0.00 66.02 67.11 1kvz s SER 84 CO 0.05 -1.51 0.50 -0.55 0.41 0.00 0.00 173.24 172.14 1kvz s SER 85 N -3.04 -0.66 0.05 2.44 0.15 -1.26 -0.31 113.70 111.07 1kvz s SER 85 Ca 0.16 0.61 -0.27 0.00 0.70 0.00 0.00 55.95 57.15 1kvz s SER 85 Cb -0.05 1.70 0.10 0.00 -1.71 0.00 0.00 66.02 66.06 1kvz s SER 85 CO 0.11 -0.28 1.19 0.54 1.20 0.00 0.00 173.24 176.01 1kvz s ASN 86 N 2.72 -0.03 1.09 5.45 4.22 -1.08 -4.88 114.94 122.43 1kvz s ASN 86 Ca 0.17 -0.31 -0.18 0.00 -2.14 0.00 0.00 52.86 50.39 1kvz s ASN 86 Cb -0.15 0.27 0.26 0.00 1.28 0.00 0.00 41.25 42.91 1kvz s ASN 86 CO -0.19 -0.52 1.26 0.54 -2.04 0.00 0.00 177.10 176.15 1kvz n ARG 87 N -0.67 -1.99 -3.73 3.55 3.00 -1.26 -2.40 116.66 113.16 1kvz n ARG 87 Ca -0.03 -1.96 -0.13 0.00 -0.01 0.00 0.00 57.85 55.71 1kvz n ARG 87 Cb 0.60 -1.48 -0.10 0.00 0.00 0.00 0.00 32.46 31.49 1kvz n ARG 87 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1kvz s ILE 88 N -3.59 0.01 -0.27 0.55 -4.36 -1.26 -2.36 121.20 109.92 1kvz s ILE 88 Ca 0.74 -0.06 -0.10 0.00 -0.26 0.00 0.00 60.65 60.98 1kvz s ILE 88 Cb -0.04 -0.61 -0.05 0.00 1.25 0.00 0.00 42.46 43.02 1kvz s ILE 88 CO 0.54 -0.03 0.16 0.00 0.24 0.00 0.00 174.94 175.85 1kvz s ILE 90 N 1.64 1.42 -0.20 0.00 -4.36 -0.18 -0.69 121.20 118.82 1kvz s ILE 90 Ca 0.07 -1.95 -0.09 0.00 -0.26 0.00 0.00 60.65 58.42 1kvz s ILE 90 Cb -0.16 -1.77 -0.05 0.00 1.25 0.00 0.00 42.46 41.74 1kvz s ILE 90 CO 0.09 -0.55 0.11 -0.60 0.24 0.00 0.00 174.94 174.23 1kvz s ARG 91 N -3.23 4.06 -0.01 0.37 3.52 0.51 -0.39 118.95 123.77 1kvz s ARG 91 Ca 0.15 -0.29 0.06 0.00 -0.13 0.00 0.00 55.73 55.52 1kvz s ARG 91 Cb -0.02 -3.37 -0.02 0.00 -1.56 0.00 0.00 34.95 29.99 1kvz s ARG 91 CO 0.03 0.21 -0.21 0.00 -0.81 0.00 0.00 175.30 174.53 1kvz s GLU 93 N -0.54 0.67 -1.82 0.00 4.04 -0.42 -1.12 118.70 119.52 1kvz s GLU 93 Ca 0.08 0.20 0.00 0.00 0.04 0.00 0.00 54.97 55.29 1kvz s GLU 93 Cb -0.08 0.31 0.00 0.00 0.02 0.00 0.00 34.13 34.38 1kvz s GLU 93 CO -0.01 -0.16 0.00 0.72 -1.84 0.00 0.00 175.26 173.98 1kvz n HIS 94 N 1.85 -0.41 -2.56 4.83 8.25 -0.34 -1.65 115.22 125.19 1kvz n HIS 94 Ca -0.18 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.24 1kvz n HIS 94 Cb 0.57 -3.26 0.01 0.00 1.12 0.00 0.00 29.99 28.42 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 -2.40 -1.18 -3.66 -0.41 2.13 -0.17 -4.96 120.64 109.98 1kvz n GLU 95 Ca -0.19 0.15 -0.13 0.00 0.66 0.00 0.00 57.16 57.65 1kvz n GLU 95 Cb 0.61 -3.27 -0.08 0.00 0.27 0.00 0.00 31.44 28.97 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 -1.90 -0.45 -0.45 4.31 2.34 -0.66 -4.84 118.68 117.03 1kvz s LEU 96 Ca 0.08 1.28 -0.29 0.00 0.06 0.00 0.00 54.13 55.27 1kvz s LEU 96 Cb -0.04 2.17 0.03 0.00 -0.56 0.00 0.00 46.19 47.79 1kvz s LEU 96 CO 0.10 -0.22 1.17 -2.16 -1.06 0.00 0.00 176.35 174.18 1kvz s PRO 97 N 0.46 3.74 -0.01 1.48 0.04 -1.26 -1.30 135.00 138.15 1kvz s PRO 97 Ca -0.01 0.67 0.17 0.00 0.04 0.00 0.00 61.00 61.87 1kvz s PRO 97 Cb -0.05 -3.91 -0.22 0.00 0.04 0.00 0.00 34.50 30.37 1kvz s PRO 97 CO -0.01 -1.36 0.60 1.33 0.04 0.00 0.00 177.00 177.60 1kvz n VAL 98 N 6.78 0.00 -4.04 -0.36 0.24 -0.64 -3.89 118.33 116.42 1kvz n VAL 98 Ca 0.13 -0.21 -0.11 0.00 -2.04 0.00 0.00 64.34 62.11 1kvz n VAL 98 Cb 0.49 0.67 -0.05 0.00 -1.47 0.00 0.00 33.84 33.47 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 -2.83 0.61 -0.16 6.34 3.76 -1.21 -0.03 115.29 121.77 1kvz s HIS 99 Ca 0.02 -0.94 0.01 0.00 -0.15 0.00 0.00 55.06 54.00 1kvz s HIS 99 Cb 0.12 0.05 0.02 0.00 1.11 0.00 0.00 32.58 33.89 1kvz s HIS 99 CO 0.71 -1.00 -0.17 -0.59 -0.85 0.00 0.00 174.74 172.84 1kvz s PHE 100 N -3.77 2.45 0.09 1.40 -0.71 -1.26 -0.36 117.98 115.81 1kvz s PHE 100 Ca 0.26 -1.39 -0.15 0.00 -1.04 0.00 0.00 56.93 54.61 1kvz s PHE 100 Cb 0.00 -1.74 -0.12 0.00 -1.21 0.00 0.00 43.02 39.95 1kvz s PHE 100 CO 0.12 -0.71 1.34 0.00 -1.34 0.00 0.00 175.22 174.63 1kvz h ALA 101 N 7.92 0.34 0.00 1.99 0.00 -1.18 -3.46 119.26 124.87 1kvz h ALA 101 Ca -0.41 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.03 1kvz h ALA 101 Cb 1.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1kvz h ALA 101 CO 0.58 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.72 1kvz n GLY 102 N 0.43 -0.58 2.99 0.00 0.00 -0.97 -5.01 105.19 102.06 1kvz n GLY 102 Ca -0.06 -0.63 -0.17 0.00 0.00 0.00 0.00 46.02 45.16 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 -3.15 0.56 0.00 1.61 0.11 -1.26 -1.80 120.40 116.47 1kvz s VAL 103 Ca 0.00 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.72 1kvz s VAL 103 Cb 0.00 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.38 1kvz s VAL 103 CO 0.00 0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.52 1kvz n GLY 104 N 2.85 1.07 3.16 6.54 0.00 -0.99 -4.86 105.19 112.96 1kvz n GLY 104 Ca -0.13 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.19 1kvz n GLY 104 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1kvz s ILE 105 N 0.00 1.07 0.33 -0.61 1.10 -1.26 -4.34 121.20 117.50 1kvz s ILE 105 Ca 0.00 -1.27 0.07 0.00 -0.51 0.00 0.00 60.65 58.94 1kvz s ILE 105 Cb 0.00 -1.04 -0.02 0.00 0.15 0.00 0.00 42.46 41.55 1kvz s ILE 105 CO 0.00 -0.22 0.31 0.00 -2.11 0.00 0.00 174.94 172.92