#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 2.68 0.00 2.12 -0.21 -1.26 -4.80 119.66 118.20 1kvz s GLN 2 Ca 0.00 1.26 0.00 0.00 0.02 0.00 0.00 55.36 56.64 1kvz s GLN 2 Cb 0.00 -4.41 0.00 0.00 1.00 0.00 0.00 33.01 29.60 1kvz s GLN 2 CO 0.00 -2.63 0.00 -0.25 -2.12 0.00 0.00 175.29 170.29 1kvz n ASP 3 N 13.09 0.08 -0.14 5.90 8.00 -1.26 -4.97 116.55 137.25 1kvz n ASP 3 Ca 0.28 -0.88 -0.04 0.00 0.71 0.00 0.00 54.79 54.86 1kvz n ASP 3 Cb 0.51 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.64 1kvz n ASP 3 CO 0.00 0.00 0.00 -0.25 -0.39 0.00 0.00 177.20 176.56 1kvz h TRP 4 N 0.88 -0.11 -0.96 1.24 -0.00 -1.86 -1.45 115.95 113.69 1kvz h TRP 4 Ca 0.00 0.04 0.16 0.00 -0.00 0.00 0.00 58.89 59.08 1kvz h TRP 4 Cb 0.00 0.12 -0.10 0.00 -0.00 0.00 0.00 29.16 29.18 1kvz h TRP 4 CO 0.00 -0.14 0.57 0.00 -0.00 0.00 0.00 178.44 178.88 1kvz h ALA 5 N 1.41 1.52 -0.27 2.65 0.00 -1.95 0.13 119.26 122.75 1kvz h ALA 5 Ca 0.22 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 1kvz h ALA 5 Cb 0.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1kvz h ALA 5 CO -0.41 0.03 -0.02 1.15 0.00 0.00 0.00 179.25 180.00 1kvz h THR 6 N 0.81 1.27 0.00 0.00 2.02 -1.60 -2.24 112.91 113.17 1kvz h THR 6 Ca 0.52 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.70 1kvz h THR 6 Cb 0.70 1.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.48 1kvz h THR 6 CO -0.34 0.31 -0.07 0.15 0.37 0.00 0.00 175.52 175.95 1kvz h PHE 7 N 0.26 0.00 -0.04 3.16 3.04 -0.45 0.14 116.94 123.06 1kvz h PHE 7 Ca 0.07 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1kvz h PHE 7 Cb 0.47 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.98 1kvz h PHE 7 CO 0.04 0.07 0.00 -0.22 -2.02 0.00 0.00 178.31 176.18 1kvz h LYS 8 N 0.00 0.07 0.00 1.11 3.11 -0.19 0.47 116.57 121.13 1kvz h LYS 8 Ca -0.00 -0.02 -0.08 0.00 -2.81 0.00 0.00 60.65 57.74 1kvz h LYS 8 Cb 0.17 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 1kvz h LYS 8 CO 0.01 0.35 -0.40 0.87 -2.81 0.00 0.00 179.45 177.48 1kvz h LYS 9 N -0.23 0.00 0.00 1.90 1.57 -1.27 -1.99 116.57 116.55 1kvz h LYS 9 Ca 0.01 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 1kvz h LYS 9 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1kvz h LYS 9 CO 0.00 0.40 -0.44 0.87 -0.57 0.00 0.00 179.45 179.71 1kvz h LYS 10 N 0.00 0.00 -0.02 3.15 1.57 -0.61 -3.42 116.57 117.24 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 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1kvz h LYS 10 CO 0.05 0.64 0.00 0.72 -0.57 0.00 0.00 179.45 180.29 1kvz n HIS 11 N -4.60 0.02 -5.02 -1.35 8.25 0.16 -4.47 115.22 108.21 1kvz n HIS 11 Ca -0.14 -0.03 -0.32 0.00 -0.26 0.00 0.00 57.72 56.97 1kvz n HIS 11 Cb 0.40 -0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.37 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 -0.66 2.48 0.07 2.41 1.43 -0.75 -0.17 118.68 123.49 1kvz s LEU 12 Ca 0.09 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.80 1kvz s LEU 12 Cb 0.07 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 1kvz s LEU 12 CO 0.10 0.29 0.13 0.42 0.23 0.00 0.00 176.35 177.52 1kvz s THR 13 N -0.41 0.16 -0.23 5.49 -4.23 -0.92 -4.46 115.64 111.03 1kvz s THR 13 Ca 0.04 -1.31 0.13 0.00 -1.18 0.00 0.00 61.69 59.37 1kvz s THR 13 Cb -0.12 -1.32 0.47 0.00 1.34 0.00 0.00 72.50 72.87 1kvz s THR 13 CO 0.02 -0.72 1.38 0.47 -0.54 0.00 0.00 174.62 175.23 1kvz n ASP 14 N 0.09 2.79 -3.60 3.99 9.92 -1.26 -3.89 116.55 124.58 1kvz n ASP 14 Ca -0.15 -3.47 -0.11 0.00 -0.53 0.00 0.00 54.79 50.53 1kvz n ASP 14 Cb 0.62 -0.57 -0.06 0.00 -0.64 0.00 0.00 41.12 40.47 1kvz n ASP 14 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1kvz s THR 15 N -3.07 0.00 0.21 -3.53 -4.23 -1.26 -5.04 115.64 98.71 1kvz s THR 15 Ca 0.41 0.00 -0.07 0.00 -1.18 0.00 0.00 61.69 60.85 1kvz s THR 15 Cb 0.37 -1.00 0.10 0.00 1.34 0.00 0.00 72.50 73.30 1kvz s THR 15 CO 0.02 0.00 1.70 -0.25 -0.54 0.00 0.00 174.62 175.55 1kvz h TRP 16 N 3.35 1.12 -3.57 3.99 2.91 -1.97 -3.39 115.95 118.39 1kvz h TRP 16 Ca -0.23 -0.16 -0.63 0.00 1.13 0.00 0.00 58.89 59.00 1kvz h TRP 16 Cb 1.17 -0.31 -0.13 0.00 -0.51 0.00 0.00 29.16 29.38 1kvz h TRP 16 CO 0.32 0.96 0.07 0.34 -1.03 0.00 0.00 178.44 179.09 1kvz s ASP 17 N -6.54 6.42 0.23 2.65 2.15 -1.26 -4.75 116.67 115.57 1kvz s ASP 17 Ca -0.11 0.27 0.09 0.00 0.43 0.00 0.00 52.55 53.22 1kvz s ASP 17 Cb 0.14 -2.30 -0.04 0.00 -0.30 0.00 0.00 42.92 40.42 1kvz s ASP 17 CO 0.85 -0.47 -0.02 -0.69 -0.17 0.00 0.00 175.17 174.66 1kvz s VAL 18 N 2.52 3.44 -0.94 1.11 1.01 -1.26 -5.04 120.40 121.24 1kvz s VAL 18 Ca 0.23 -1.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.22 1kvz s VAL 18 Cb -0.15 -2.80 0.10 0.00 0.00 0.00 0.00 36.38 33.53 1kvz s VAL 18 CO 0.12 -0.28 1.22 -1.81 0.00 0.00 0.00 175.10 174.35 1kvz s ASP 19 N -3.39 6.55 -0.07 3.32 1.01 -1.26 -4.79 116.67 118.04 1kvz s ASP 19 Ca 0.29 -1.76 0.06 0.00 0.71 0.00 0.00 52.55 51.86 1kvz s ASP 19 Cb -0.07 -2.46 -0.24 0.00 1.01 0.00 0.00 42.92 41.16 1kvz s ASP 19 CO 0.19 -1.24 0.57 0.00 0.21 0.00 0.00 175.17 174.89 1kvz h ASP 21 N 0.02 0.00 0.25 0.00 3.32 -1.88 -0.45 116.42 117.68 1kvz h ASP 21 Ca -0.33 0.00 -0.33 0.00 0.02 0.00 0.00 57.03 56.39 1kvz h ASP 21 Cb 2.02 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.52 1kvz h ASP 21 CO 0.08 0.00 -2.03 -3.20 -1.72 0.00 0.00 179.24 172.38 1kvz n ASN 22 N -3.10 0.75 0.07 6.45 2.85 -1.26 -4.31 115.26 116.71 1kvz n ASN 22 Ca 0.00 0.21 0.02 0.00 -0.11 0.00 0.00 54.58 54.70 1kvz n ASN 22 Cb 0.29 0.22 -0.05 0.00 1.24 0.00 0.00 39.78 41.48 1kvz n ASN 22 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1kvz h LEU 23 N 0.01 0.00 -0.56 1.20 4.07 -1.59 -3.38 115.31 115.06 1kvz h LEU 23 Ca -0.41 0.00 0.07 0.00 0.08 0.00 0.00 57.88 57.62 1kvz h LEU 23 Cb 2.09 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.78 1kvz h LEU 23 CO 0.05 0.50 0.25 -0.03 -1.08 0.00 0.00 178.44 178.13 1kvz h MET 24 N 0.00 0.45 0.00 1.13 4.05 -1.26 -1.94 114.93 117.36 1kvz h MET 24 Ca -0.10 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 1kvz h MET 24 Cb 1.47 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.17 1kvz h MET 24 CO 0.05 0.30 0.00 -0.35 0.23 0.00 0.00 176.91 177.14 1kvz n PRO 25 N -4.93 0.93 -1.73 0.39 -0.04 -1.26 0.10 135.00 128.46 1kvz n PRO 25 Ca 0.06 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.38 1kvz n PRO 25 Cb 0.20 -1.12 0.08 0.00 -0.04 0.00 0.00 33.50 32.61 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 -0.62 0.00 0.93 0.52 -1.04 -0.73 -4.76 114.28 108.59 1kvz n THR 26 Ca 0.05 -0.91 0.13 0.00 -2.04 0.00 0.00 64.05 61.28 1kvz n THR 26 Cb 0.02 -1.14 0.48 0.00 -1.82 0.00 0.00 70.33 67.88 1kvz n THR 26 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1kvz n SER 27 N -2.99 0.26 0.11 8.00 2.88 -1.26 0.92 113.62 121.54 1kvz n SER 27 Ca 0.10 0.31 -0.19 0.00 -1.33 0.00 0.00 58.87 57.75 1kvz n SER 27 Cb 0.35 -0.31 -0.15 0.00 -0.75 0.00 0.00 64.21 63.35 1kvz n SER 27 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1kvz h LEU 28 N 0.00 0.57 0.00 2.46 5.85 -1.92 -3.38 115.31 118.89 1kvz h LEU 28 Ca 0.00 -0.62 -0.24 0.00 0.84 0.00 0.00 57.88 57.86 1kvz h LEU 28 Cb 0.54 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1kvz h LEU 28 CO 0.00 1.49 -1.90 0.49 -0.34 0.00 0.00 178.44 178.18 1kvz n PHE 29 N -3.59 0.00 -4.11 1.25 3.01 -1.24 -4.98 117.46 107.80 1kvz n PHE 29 Ca -0.12 0.00 -0.30 0.00 1.01 0.00 0.00 57.45 58.03 1kvz n PHE 29 Cb 1.05 -0.61 -0.04 0.00 -0.01 0.00 0.00 39.48 39.88 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 -3.01 -1.16 -2.95 4.37 2.03 0.26 0.56 116.55 116.65 1kvz n ASP 30 Ca -0.28 -1.05 -0.22 0.00 0.52 0.00 0.00 54.79 53.75 1kvz n ASP 30 Cb 0.79 -2.71 0.04 0.00 -0.72 0.00 0.00 41.12 38.52 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 -3.97 -1.71 -0.03 0.00 4.76 0.19 -4.98 118.16 112.42 1kvz n LYS 32 Ca -0.11 -0.38 -0.00 0.00 -2.87 0.00 0.00 58.31 54.94 1kvz n LYS 32 Cb 0.62 -0.59 -0.00 0.00 -1.84 0.00 0.00 35.03 33.22 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 -2.26 0.00 -5.00 4.39 3.32 -1.93 -3.44 116.42 111.49 1kvz h ASP 33 Ca -0.10 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.99 1kvz h ASP 33 Cb 0.35 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.82 1kvz h ASP 33 CO 0.06 0.27 0.24 -1.59 -1.72 0.00 0.00 179.24 176.51 1kvz s LYS 34 N -1.34 1.54 -0.04 3.56 -2.85 -1.26 -0.91 119.74 118.45 1kvz s LYS 34 Ca -0.01 -0.76 -0.09 0.00 -1.00 0.00 0.00 55.97 54.11 1kvz s LYS 34 Cb 0.00 0.59 0.01 0.00 -2.06 0.00 0.00 37.83 36.37 1kvz s LYS 34 CO 0.02 -0.70 0.21 1.21 0.10 0.00 0.00 175.35 176.19 1kvz s ASN 35 N -2.84 -0.12 -0.20 0.03 3.84 -0.45 -4.97 114.94 110.22 1kvz s ASN 35 Ca 0.07 0.12 -0.04 0.00 0.21 0.00 0.00 52.86 53.22 1kvz s ASN 35 Cb -0.04 0.33 -0.01 0.00 -0.55 0.00 0.00 41.25 40.98 1kvz s ASN 35 CO -0.01 -0.27 -0.04 -0.89 -2.79 0.00 0.00 177.10 173.09 1kvz s THR 36 N -0.77 3.50 0.22 -5.21 2.01 -1.26 -0.20 115.64 113.92 1kvz s THR 36 Ca -0.09 -0.46 0.05 0.00 0.31 0.00 0.00 61.69 61.50 1kvz s THR 36 Cb -0.05 -2.57 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1kvz s THR 36 CO 0.02 0.44 0.30 -0.36 -0.69 0.00 0.00 174.62 174.33 1kvz s PHE 37 N 1.17 3.39 -0.12 4.92 0.08 0.83 -4.34 117.98 123.91 1kvz s PHE 37 Ca 0.02 -0.00 -0.00 0.00 0.12 0.00 0.00 56.93 57.07 1kvz s PHE 37 Cb -0.14 -1.56 -0.02 0.00 -0.57 0.00 0.00 43.02 40.72 1kvz s PHE 37 CO -0.01 0.48 -0.10 0.42 -0.10 0.00 0.00 175.22 175.91 1kvz s ILE 38 N -1.93 3.35 -1.15 0.64 -1.09 0.76 -1.66 121.20 120.11 1kvz s ILE 38 Ca 0.34 -0.57 -0.08 0.00 -2.23 0.00 0.00 60.65 58.11 1kvz s ILE 38 Cb -0.09 -2.41 0.25 0.00 -1.58 0.00 0.00 42.46 38.63 1kvz s ILE 38 CO 0.28 0.53 1.45 0.00 -1.23 0.00 0.00 174.94 175.97 1kvz n TYR 39 N 3.20 3.74 -3.86 3.97 9.36 -0.60 -2.18 117.16 130.80 1kvz n TYR 39 Ca -0.18 -3.14 -0.09 0.00 3.32 0.00 0.00 57.90 57.81 1kvz n TYR 39 Cb 0.53 -1.69 0.01 0.00 -0.63 0.00 0.00 39.34 37.56 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 0.43 0.09 0.26 2.98 0.15 -1.25 -4.58 113.70 111.78 1kvz s SER 40 Ca 0.35 -1.12 -0.03 0.00 0.70 0.00 0.00 55.95 55.84 1kvz s SER 40 Cb 0.00 0.81 -0.05 0.00 -1.71 0.00 0.00 66.02 65.07 1kvz s SER 40 CO 0.01 -1.59 0.49 -0.76 1.20 0.00 0.00 173.24 172.60 1kvz s LEU 41 N -3.07 4.12 0.38 3.45 2.01 -1.26 -4.60 118.68 119.71 1kvz s LEU 41 Ca 0.17 0.58 0.26 0.00 0.01 0.00 0.00 54.13 55.16 1kvz s LEU 41 Cb -0.04 -3.38 0.77 0.00 0.01 0.00 0.00 46.19 43.55 1kvz s LEU 41 CO 0.12 -0.14 1.75 1.55 1.01 0.00 0.00 176.35 180.64 1kvz h PRO 42 N 1.76 0.00 0.43 1.29 0.13 -1.97 -2.69 132.00 130.95 1kvz h PRO 42 Ca -0.48 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1kvz h PRO 42 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1kvz h PRO 42 CO 0.67 0.00 -0.21 0.78 -0.23 0.00 0.00 178.00 179.01 1kvz h GLY 43 N 3.47 -0.60 2.00 1.56 0.00 -1.97 0.18 103.07 107.70 1kvz h GLY 43 Ca 0.00 0.22 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 1kvz h GLY 43 CO 0.00 -0.22 -0.58 -0.56 0.00 0.00 0.00 176.54 175.18 1kvz h PRO 44 N -0.98 0.00 0.05 4.80 0.13 -1.99 0.22 132.00 134.24 1kvz h PRO 44 Ca -0.06 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1kvz h PRO 44 Cb 0.56 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1kvz h PRO 44 CO 0.10 0.58 -0.02 0.28 -0.23 0.00 0.00 178.00 178.70 1kvz h VAL 45 N 0.00 1.29 0.00 1.56 2.07 -1.53 -3.18 116.25 116.46 1kvz h VAL 45 Ca -0.01 -1.52 -0.04 0.00 0.82 0.00 0.00 66.70 65.95 1kvz h VAL 45 Cb 1.12 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1kvz h VAL 45 CO 0.08 0.36 -0.21 0.50 0.02 0.00 0.00 177.57 178.32 1kvz h LYS 46 N -0.79 0.00 -0.02 1.57 3.64 -0.68 -2.16 116.57 118.12 1kvz h LYS 46 Ca -0.01 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1kvz h LYS 46 Cb 0.64 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1kvz h LYS 46 CO 0.01 0.21 -0.00 0.00 -2.27 0.00 0.00 179.45 177.40 1kvz h ALA 47 N 1.79 1.96 -0.41 5.00 0.00 -0.92 -0.49 119.26 126.18 1kvz h ALA 47 Ca -0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1kvz h ALA 47 Cb 0.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1kvz h ALA 47 CO 0.03 0.04 -0.22 1.25 0.00 0.00 0.00 179.25 180.34 1kvz h LEU 48 N 0.03 0.85 -0.04 0.00 5.85 -1.37 -2.31 115.31 118.32 1kvz h LEU 48 Ca 0.01 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1kvz h LEU 48 Cb 0.03 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.82 1kvz h LEU 48 CO 0.00 1.04 0.00 0.00 -0.34 0.00 0.00 178.44 179.14 1kvz s ARG 50 N -3.04 1.66 0.00 0.00 3.52 -0.61 -1.37 118.95 119.10 1kvz s ARG 50 Ca 0.12 0.31 0.00 0.00 -0.13 0.00 0.00 55.73 56.02 1kvz s ARG 50 Cb 0.16 -4.84 0.00 0.00 -1.56 0.00 0.00 34.95 28.71 1kvz s ARG 50 CO 0.51 -4.44 0.00 0.41 -0.81 0.00 0.00 175.30 170.97 1kvz n GLY 51 N 6.75 1.70 3.75 8.12 0.00 -1.26 -5.05 105.19 119.20 1kvz n GLY 51 Ca 0.46 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.92 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 3.59 -0.04 1.61 1.01 -0.47 -4.94 120.40 121.15 1kvz s VAL 52 Ca 0.00 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.49 1kvz s VAL 52 Cb 0.00 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 1kvz s VAL 52 CO 0.00 0.32 -0.04 -0.38 0.00 0.00 0.00 175.10 175.01 1kvz n ILE 53 N 1.63 0.22 -3.16 2.22 2.08 -1.26 -0.81 119.36 120.29 1kvz n ILE 53 Ca 0.00 -0.08 -0.19 0.00 0.56 0.00 0.00 62.75 63.04 1kvz n ILE 53 Cb 0.45 -0.73 0.03 0.00 -0.75 0.00 0.00 39.64 38.64 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 -2.08 2.08 -0.13 1.39 0.40 -1.26 -1.03 117.98 117.36 1kvz s PHE 54 Ca -0.05 -0.59 -0.29 0.00 -0.60 0.00 0.00 56.93 55.39 1kvz s PHE 54 Cb 0.01 -2.24 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 1kvz s PHE 54 CO 0.09 -0.72 1.56 -1.12 0.70 0.00 0.00 175.22 175.74 1kvz s SER 55 N -4.46 6.64 0.16 1.36 0.01 -1.24 -3.74 113.70 112.43 1kvz s SER 55 Ca 0.55 1.94 -0.06 0.00 1.31 0.00 0.00 55.95 59.69 1kvz s SER 55 Cb -0.07 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1kvz s SER 55 CO 0.34 -0.99 0.22 0.00 0.41 0.00 0.00 173.24 173.22 1kvz s ALA 56 N 4.28 0.31 -0.37 1.44 0.00 -0.03 -4.91 121.76 122.49 1kvz s ALA 56 Ca 0.69 -1.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.37 1kvz s ALA 56 Cb -0.28 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1kvz s ALA 56 CO 0.26 -0.61 0.47 -0.51 0.00 0.00 0.00 175.76 175.37 1kvz s ASP 57 N -3.01 6.26 -0.17 0.00 1.11 -1.26 0.27 116.67 119.87 1kvz s ASP 57 Ca 0.21 -0.23 -0.07 0.00 0.18 0.00 0.00 52.55 52.64 1kvz s ASP 57 Cb 0.04 -2.24 -0.04 0.00 1.07 0.00 0.00 42.92 41.75 1kvz s ASP 57 CO 0.02 -0.48 0.07 -0.69 1.18 0.00 0.00 175.17 175.27 1kvz s VAL 58 N 2.28 4.90 -0.20 -1.27 1.01 0.30 -4.87 120.40 122.55 1kvz s VAL 58 Ca 0.16 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.06 1kvz s VAL 58 Cb -0.16 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1kvz s VAL 58 CO 0.13 0.48 0.09 -0.76 0.00 0.00 0.00 175.10 175.04 1kvz s LEU 59 N 0.19 3.85 0.26 3.92 1.43 -1.26 -0.58 118.68 126.50 1kvz s LEU 59 Ca 0.05 0.06 -0.30 0.00 -1.03 0.00 0.00 54.13 52.91 1kvz s LEU 59 Cb -0.12 -1.99 -0.14 0.00 0.03 0.00 0.00 46.19 43.97 1kvz s LEU 59 CO 0.00 0.13 1.15 -1.54 0.23 0.00 0.00 176.35 176.32 1kvz n SER 60 N 3.85 1.75 0.11 2.29 3.41 -0.67 -4.88 113.62 119.48 1kvz n SER 60 Ca -0.16 1.17 -0.02 0.00 -0.26 0.00 0.00 58.87 59.60 1kvz n SER 60 Cb 0.52 -1.32 0.03 0.00 -0.26 0.00 0.00 64.21 63.18 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 2.72 0.00 -3.53 4.04 -0.26 -1.97 -3.44 115.58 113.15 1kvz h ASN 61 Ca -0.42 0.00 -0.39 0.00 -0.56 0.00 0.00 56.30 54.93 1kvz h ASN 61 Cb 1.32 0.00 -0.33 0.00 -1.06 0.00 0.00 38.32 38.25 1kvz h ASN 61 CO 0.65 0.73 -0.77 -0.44 -1.06 0.00 0.00 177.43 176.55 1kvz s SER 62 N -6.65 0.81 0.32 5.81 0.01 -1.26 -5.12 113.70 107.62 1kvz s SER 62 Ca 0.01 -0.11 -0.29 0.00 1.31 0.00 0.00 55.95 56.87 1kvz s SER 62 Cb 0.10 -0.37 -0.10 0.00 0.21 0.00 0.00 66.02 65.86 1kvz s SER 62 CO 0.77 -0.04 1.39 -1.83 0.41 0.00 0.00 173.24 173.94 1kvz s GLU 63 N 0.78 4.27 0.44 12.44 -1.05 -1.26 -4.82 118.70 129.49 1kvz s GLU 63 Ca -0.10 2.34 0.05 0.00 -0.15 0.00 0.00 54.97 57.11 1kvz s GLU 63 Cb -0.13 -3.05 -0.06 0.00 -0.44 0.00 0.00 34.13 30.45 1kvz s GLU 63 CO -0.00 -0.34 0.01 -0.06 0.95 0.00 0.00 175.26 175.82 1kvz s PHE 64 N -0.84 2.29 0.32 4.83 0.08 -1.07 -4.74 117.98 118.84 1kvz s PHE 64 Ca 0.53 -0.78 -0.28 0.00 0.12 0.00 0.00 56.93 56.52 1kvz s PHE 64 Cb -0.42 -1.70 -0.10 0.00 -0.57 0.00 0.00 43.02 40.23 1kvz s PHE 64 CO 0.53 0.36 1.19 0.71 -0.10 0.00 0.00 175.22 177.91 1kvz s TYR 65 N -2.79 3.29 -0.20 0.36 2.02 -1.26 -2.48 117.35 116.28 1kvz s TYR 65 Ca 0.26 1.57 0.01 0.00 -0.37 0.00 0.00 57.07 58.53 1kvz s TYR 65 Cb 0.07 -3.45 0.04 0.00 -0.40 0.00 0.00 41.96 38.22 1kvz s TYR 65 CO 0.13 -1.18 -0.13 -0.51 -1.57 0.00 0.00 175.55 172.29 1kvz s LEU 66 N -1.77 2.43 -0.49 -1.29 1.43 0.80 -1.56 118.68 118.23 1kvz s LEU 66 Ca 0.48 -0.91 -0.16 0.00 -1.03 0.00 0.00 54.13 52.51 1kvz s LEU 66 Cb -0.35 -1.34 0.08 0.00 0.03 0.00 0.00 46.19 44.62 1kvz s LEU 66 CO 0.45 -0.12 0.45 0.00 0.23 0.00 0.00 176.35 177.36 1kvz s ALA 67 N 1.32 3.56 0.30 4.21 0.00 -0.66 -1.55 121.76 128.94 1kvz s ALA 67 Ca -0.01 -2.17 0.07 0.00 0.00 0.00 0.00 51.96 49.86 1kvz s ALA 67 Cb -0.16 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1kvz s ALA 67 CO -0.09 -1.84 0.22 -1.83 0.00 0.00 0.00 175.76 172.23 1kvz s GLU 68 N 1.77 2.75 -0.10 0.00 -1.05 -0.65 -0.12 118.70 121.29 1kvz s GLU 68 Ca 0.05 -1.23 -0.01 0.00 -0.15 0.00 0.00 54.97 53.64 1kvz s GLU 68 Cb -0.25 -2.47 0.03 0.00 -0.44 0.00 0.00 34.13 31.00 1kvz s GLU 68 CO 0.06 0.23 -0.05 0.00 0.95 0.00 0.00 175.26 176.46 1kvz s ASN 70 N 1.80 4.29 -0.21 0.00 -0.87 -1.00 -1.35 114.94 117.60 1kvz s ASN 70 Ca 0.05 -0.35 -0.29 0.00 -1.57 0.00 0.00 52.86 50.70 1kvz s ASN 70 Cb -0.13 -1.72 -0.03 0.00 -0.02 0.00 0.00 41.25 39.36 1kvz s ASN 70 CO -0.07 0.04 1.64 -0.69 -2.57 0.00 0.00 177.10 175.44 1kvz s VAL 71 N 1.13 3.66 0.22 1.60 1.01 -0.09 -2.51 120.40 125.42 1kvz s VAL 71 Ca 0.01 0.75 -0.31 0.00 0.00 0.00 0.00 61.98 62.43 1kvz s VAL 71 Cb -0.15 -3.67 -0.11 0.00 0.00 0.00 0.00 36.38 32.45 1kvz s VAL 71 CO -0.01 -0.28 1.58 -0.54 0.00 0.00 0.00 175.10 175.85 1kvz s LYS 72 N 4.71 4.18 0.52 2.72 1.02 -1.01 -4.97 119.74 126.91 1kvz s LYS 72 Ca 0.73 2.45 -0.18 0.00 0.02 0.00 0.00 55.97 58.99 1kvz s LYS 72 Cb -0.26 -3.10 -0.07 0.00 -0.52 0.00 0.00 37.83 33.89 1kvz s LYS 72 CO 0.30 -0.61 1.02 -1.25 -0.92 0.00 0.00 175.35 173.89 1kvz s PRO 73 N 0.48 3.75 -1.38 -1.68 0.04 -1.26 -3.62 135.00 131.32 1kvz s PRO 73 Ca 0.67 1.17 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1kvz s PRO 73 Cb -0.46 -2.10 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1kvz s PRO 73 CO 0.38 -0.45 0.00 0.54 0.04 0.00 0.00 177.00 177.50 1kvz n ARG 74 N -1.42 -1.25 -4.22 4.56 5.12 -1.26 -5.00 116.66 113.19 1kvz n ARG 74 Ca 0.08 0.79 -0.13 0.00 -1.93 0.00 0.00 57.85 56.67 1kvz n ARG 74 Cb 0.53 -5.16 -0.10 0.00 -1.16 0.00 0.00 32.46 26.57 1kvz n ARG 74 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1kvz s LYS 75 N -4.67 0.99 -1.15 5.56 -0.14 -1.24 -5.05 119.74 114.03 1kvz s LYS 75 Ca 0.00 -1.42 -0.16 0.00 -1.36 0.00 0.00 55.97 53.03 1kvz s LYS 75 Cb 0.00 -0.42 -0.06 0.00 -1.68 0.00 0.00 37.83 35.67 1kvz s LYS 75 CO 0.00 0.01 2.18 -0.35 -0.76 0.00 0.00 175.35 176.43 1kvz n PRO 76 N -0.15 2.33 -3.84 -1.68 -0.04 -1.26 -4.59 135.00 125.78 1kvz n PRO 76 Ca -0.10 -2.13 -0.34 0.00 -0.04 0.00 0.00 63.50 60.89 1kvz n PRO 76 Cb 0.61 -2.99 0.02 0.00 -0.04 0.00 0.00 33.50 31.10 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 -6.10 3.02 -0.03 0.00 -2.85 -1.26 -4.95 119.74 107.57 1kvz s LYS 78 Ca 0.32 -0.69 -0.07 0.00 -1.00 0.00 0.00 55.97 54.53 1kvz s LYS 78 Cb -0.15 -2.53 -0.05 0.00 -2.06 0.00 0.00 37.83 33.05 1kvz s LYS 78 CO 0.91 0.38 0.23 0.71 0.10 0.00 0.00 175.35 177.69 1kvz s TYR 79 N -0.10 3.59 -0.09 1.78 2.02 -1.26 -2.40 117.35 120.90 1kvz s TYR 79 Ca -0.02 0.57 0.01 0.00 -0.37 0.00 0.00 57.07 57.25 1kvz s TYR 79 Cb -0.14 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.42 1kvz s TYR 79 CO 0.04 0.65 -0.10 0.21 -1.57 0.00 0.00 175.55 174.78 1kvz s LYS 80 N -1.53 2.98 0.19 -0.62 2.20 -1.04 -4.85 119.74 117.07 1kvz s LYS 80 Ca 0.24 -0.61 -0.15 0.00 -0.36 0.00 0.00 55.97 55.09 1kvz s LYS 80 Cb -0.13 -2.60 -0.07 0.00 -1.51 0.00 0.00 37.83 33.52 1kvz s LYS 80 CO 0.13 0.48 0.61 -0.51 -0.36 0.00 0.00 175.35 175.70 1kvz s LEU 81 N -0.34 4.29 -0.01 5.43 2.01 -1.26 -2.37 118.68 126.43 1kvz s LEU 81 Ca 0.04 1.16 -0.05 0.00 0.01 0.00 0.00 54.13 55.29 1kvz s LEU 81 Cb -0.13 -3.47 0.00 0.00 0.01 0.00 0.00 46.19 42.60 1kvz s LEU 81 CO 0.02 0.03 0.10 -0.75 1.01 0.00 0.00 176.35 176.77 1kvz s LYS 82 N -2.17 0.33 0.10 1.70 2.47 -0.76 -5.00 119.74 116.42 1kvz s LYS 82 Ca 0.42 -0.23 0.09 0.00 -1.56 0.00 0.00 55.97 54.68 1kvz s LYS 82 Cb -0.14 0.14 -0.04 0.00 -1.46 0.00 0.00 37.83 36.33 1kvz s LYS 82 CO 0.20 -0.07 -0.21 0.15 0.16 0.00 0.00 175.35 175.58 1kvz s LYS 83 N -0.88 1.77 0.21 4.03 3.01 -1.26 -1.64 119.74 124.98 1kvz s LYS 83 Ca -0.10 -1.16 -0.08 0.00 -1.01 0.00 0.00 55.97 53.62 1kvz s LYS 83 Cb -0.06 -2.07 0.03 0.00 -1.01 0.00 0.00 37.83 34.72 1kvz s LYS 83 CO 0.01 0.49 0.42 0.43 0.51 0.00 0.00 175.35 177.20 1kvz n SER 84 N 1.08 -1.21 -3.61 2.83 7.64 -0.59 -4.94 113.62 114.82 1kvz n SER 84 Ca -0.16 -1.84 -0.08 0.00 1.01 0.00 0.00 58.87 57.80 1kvz n SER 84 Cb 0.53 2.02 -0.09 0.00 -1.01 0.00 0.00 64.21 65.66 1kvz n SER 84 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1kvz s SER 85 N -2.09 -0.28 0.05 6.43 1.04 -1.26 -0.14 113.70 117.45 1kvz s SER 85 Ca 0.08 0.94 -0.28 0.00 0.48 0.00 0.00 55.95 57.18 1kvz s SER 85 Cb -0.03 1.40 0.10 0.00 0.10 0.00 0.00 66.02 67.59 1kvz s SER 85 CO 0.06 -0.24 1.17 0.21 0.98 0.00 0.00 173.24 175.43 1kvz s ASN 86 N 2.63 -0.07 0.77 7.02 2.47 -1.04 -4.90 114.94 121.82 1kvz s ASN 86 Ca 0.00 -0.29 -0.06 0.00 0.42 0.00 0.00 52.86 52.93 1kvz s ASN 86 Cb -0.12 0.29 0.12 0.00 -1.45 0.00 0.00 41.25 40.09 1kvz s ASN 86 CO -0.14 -0.55 1.07 -0.13 -3.72 0.00 0.00 177.10 173.64 1kvz s ARG 87 N -2.55 1.61 -0.06 0.43 0.52 -1.26 -2.60 118.95 115.04 1kvz s ARG 87 Ca 0.17 -0.68 -0.09 0.00 -0.52 0.00 0.00 55.73 54.60 1kvz s ARG 87 Cb 0.02 -2.17 0.02 0.00 0.52 0.00 0.00 34.95 33.33 1kvz s ARG 87 CO -0.01 -1.59 0.23 0.96 0.02 0.00 0.00 175.30 174.91 1kvz s ILE 88 N -3.34 0.03 -0.37 1.52 -4.36 -1.26 -2.64 121.20 110.78 1kvz s ILE 88 Ca 0.66 -0.21 -0.14 0.00 -0.26 0.00 0.00 60.65 60.70 1kvz s ILE 88 Cb -0.07 -0.40 0.00 0.00 1.25 0.00 0.00 42.46 43.24 1kvz s ILE 88 CO 0.46 -0.12 0.29 0.00 0.24 0.00 0.00 174.94 175.81 1kvz s ILE 90 N 1.76 2.03 -0.32 0.00 -4.36 0.26 0.14 121.20 120.69 1kvz s ILE 90 Ca 0.06 -1.84 -0.21 0.00 -0.26 0.00 0.00 60.65 58.40 1kvz s ILE 90 Cb -0.18 -1.89 -0.00 0.00 1.25 0.00 0.00 42.46 41.64 1kvz s ILE 90 CO 0.11 -0.13 0.67 -0.60 0.24 0.00 0.00 174.94 175.23 1kvz s ARG 91 N -2.44 3.84 -0.02 0.37 3.52 -0.19 0.11 118.95 124.15 1kvz s ARG 91 Ca 0.15 0.28 0.06 0.00 -0.13 0.00 0.00 55.73 56.09 1kvz s ARG 91 Cb -0.08 -3.76 -0.03 0.00 -1.56 0.00 0.00 34.95 29.53 1kvz s ARG 91 CO 0.07 -0.66 -0.19 0.00 -0.81 0.00 0.00 175.30 173.71 1kvz s GLU 93 N -0.90 0.55 -1.61 0.00 -1.05 -1.02 -0.85 118.70 113.83 1kvz s GLU 93 Ca 0.12 0.73 0.00 0.00 -0.15 0.00 0.00 54.97 55.67 1kvz s GLU 93 Cb -0.10 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.81 1kvz s GLU 93 CO 0.01 -0.09 0.00 0.72 0.95 0.00 0.00 175.26 176.86 1kvz n HIS 94 N 3.11 -0.73 -2.12 4.83 8.25 -0.20 -0.74 115.22 127.63 1kvz n HIS 94 Ca -0.15 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.14 1kvz n HIS 94 Cb 0.56 -3.51 -0.02 0.00 1.12 0.00 0.00 29.99 28.15 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 -2.70 -1.27 -3.84 -0.41 4.71 0.01 -4.98 120.64 112.16 1kvz n GLU 95 Ca -0.21 0.86 -0.30 0.00 -0.01 0.00 0.00 57.16 57.50 1kvz n GLU 95 Cb 0.65 -5.22 -0.15 0.00 -1.01 0.00 0.00 31.44 25.71 1kvz n GLU 95 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1kvz s LEU 96 N -4.48 3.00 -0.87 -4.62 1.02 0.08 -4.62 118.68 108.18 1kvz s LEU 96 Ca 0.00 -1.71 -0.25 0.00 0.02 0.00 0.00 54.13 52.19 1kvz s LEU 96 Cb 0.00 -1.12 0.02 0.00 0.02 0.00 0.00 46.19 45.11 1kvz s LEU 96 CO 0.00 -0.38 1.55 -2.16 0.02 0.00 0.00 176.35 175.37 1kvz s PRO 97 N 1.39 3.17 0.12 1.29 0.04 -1.26 -2.43 135.00 137.32 1kvz s PRO 97 Ca 0.08 -0.52 0.16 0.00 0.04 0.00 0.00 61.00 60.76 1kvz s PRO 97 Cb -0.18 -4.86 -0.09 0.00 0.04 0.00 0.00 34.50 29.41 1kvz s PRO 97 CO -0.17 -2.47 1.01 -0.39 0.04 0.00 0.00 177.00 175.02 1kvz h VAL 98 N 6.69 0.67 -2.97 -0.36 -1.51 -1.69 -3.44 116.25 113.62 1kvz h VAL 98 Ca -0.01 -2.14 -0.46 0.00 -1.23 0.00 0.00 66.70 62.86 1kvz h VAL 98 Cb 1.04 2.19 -0.14 0.00 -2.13 0.00 0.00 31.29 32.25 1kvz h VAL 98 CO 1.32 0.38 -0.60 -1.00 -1.23 0.00 0.00 177.57 176.44 1kvz s HIS 99 N -2.92 1.88 -0.20 5.19 3.76 -1.23 -4.39 115.29 117.39 1kvz s HIS 99 Ca -0.01 -1.03 0.01 0.00 -0.15 0.00 0.00 55.06 53.89 1kvz s HIS 99 Cb 0.08 -1.21 0.04 0.00 1.11 0.00 0.00 32.58 32.60 1kvz s HIS 99 CO 0.79 -0.08 -0.13 -0.59 -0.85 0.00 0.00 174.74 173.88 1kvz s PHE 100 N -3.37 2.59 0.02 1.40 -0.71 -1.26 -1.02 117.98 115.63 1kvz s PHE 100 Ca 0.35 -1.65 -0.21 0.00 -1.04 0.00 0.00 56.93 54.38 1kvz s PHE 100 Cb 0.08 -1.74 -0.17 0.00 -1.21 0.00 0.00 43.02 39.98 1kvz s PHE 100 CO 0.15 -0.77 1.27 0.00 -1.34 0.00 0.00 175.22 174.53 1kvz h ALA 101 N 7.95 0.16 -3.00 1.99 0.00 -0.61 -3.47 119.26 122.27 1kvz h ALA 101 Ca -0.32 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1kvz h ALA 101 Cb 1.10 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1kvz h ALA 101 CO 0.52 0.10 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1kvz n GLY 102 N 0.41 1.84 3.30 0.00 0.00 -1.06 -5.03 105.19 104.66 1kvz n GLY 102 Ca -0.07 -0.49 -0.17 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.65 1.52 0.00 1.61 0.11 -1.26 -2.02 120.40 118.71 1kvz s VAL 103 Ca 0.00 -2.07 0.00 0.00 -2.93 0.00 0.00 61.98 56.98 1kvz s VAL 103 Cb 0.00 -1.89 0.00 0.00 -1.53 0.00 0.00 36.38 32.96 1kvz s VAL 103 CO 0.00 -0.59 0.00 0.61 -3.33 0.00 0.00 175.10 171.79 1kvz n GLY 104 N -0.14 1.55 3.25 6.54 0.00 -1.08 -4.74 105.19 110.57 1kvz n GLY 104 Ca -0.10 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 0.48 0.06 -0.61 -0.00 -1.26 -4.53 121.20 115.35 1kvz s ILE 105 Ca 0.00 -1.98 0.05 0.00 -0.00 0.00 0.00 60.65 58.73 1kvz s ILE 105 Cb 0.00 -2.32 -0.04 0.00 -0.00 0.00 0.00 42.46 40.11 1kvz s ILE 105 CO 0.00 -0.27 -0.07 0.00 -0.00 0.00 0.00 174.94 174.60