#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvz h ASP 2 N 0.00 0.83 -4.06 7.83 3.32 -2.06 -3.44 116.42 118.85 2kvz h ASP 2 Ca 0.00 -0.36 -0.41 0.00 0.02 0.00 0.00 57.03 56.27 2kvz h ASP 2 Cb 0.00 -0.23 -0.18 0.00 0.22 0.00 0.00 39.33 39.14 2kvz h ASP 2 CO 0.00 1.00 -0.76 -0.36 -1.72 0.00 0.00 179.24 177.40 2kvz s PHE 3 N -4.80 1.40 0.04 4.55 0.08 -1.26 -5.04 117.98 112.95 2kvz s PHE 3 Ca -0.12 -0.56 0.17 0.00 0.12 0.00 0.00 56.93 56.54 2kvz s PHE 3 Cb 0.11 -0.73 0.40 0.00 -0.57 0.00 0.00 43.02 42.23 2kvz s PHE 3 CO 0.83 0.14 1.60 0.78 -0.10 0.00 0.00 175.22 178.47 2kvz h GLY 4 N 3.53 0.00 -6.96 4.36 0.00 -1.98 -3.39 103.07 98.62 2kvz h GLY 4 Ca -0.40 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.35 2kvz h GLY 4 CO 0.50 0.00 -0.77 -1.59 0.00 0.00 0.00 176.54 174.68 2kvz s LYS 5 N -3.31 0.72 0.00 4.80 -2.85 -1.26 -4.90 119.74 112.95 2kvz s LYS 5 Ca 0.02 -1.23 0.28 0.00 -1.00 0.00 0.00 55.97 54.03 2kvz s LYS 5 Cb 0.10 -1.81 1.09 0.00 -2.06 0.00 0.00 37.83 35.14 2kvz s LYS 5 CO 0.71 -1.07 1.77 -0.35 0.10 0.00 0.00 175.35 176.51 2kvz n PRO 6 N 4.49 1.20 -3.70 1.78 -0.04 -1.21 -4.94 135.00 132.58 2kvz n PRO 6 Ca 0.02 -0.61 -0.25 0.00 -0.04 0.00 0.00 63.50 62.63 2kvz n PRO 6 Cb 0.39 -1.49 0.06 0.00 -0.04 0.00 0.00 33.50 32.42 2kvz n PRO 6 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kvz n ASN 7 N -0.37 -4.68 -4.58 3.54 3.02 -1.09 -4.62 115.26 106.48 2kvz n ASN 7 Ca 0.17 -0.67 -0.42 0.00 -0.03 0.00 0.00 54.58 53.64 2kvz n ASN 7 Cb 0.31 -4.54 -0.06 0.00 -0.61 0.00 0.00 39.78 34.88 2kvz n ASN 7 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2kvz s GLN 8 N -6.26 3.77 -0.24 3.52 -0.21 -1.26 -2.91 119.66 116.07 2kvz s GLN 8 Ca 0.47 0.18 -0.18 0.00 0.02 0.00 0.00 55.36 55.86 2kvz s GLN 8 Cb -0.22 -3.78 -0.03 0.00 1.00 0.00 0.00 33.01 29.98 2kvz s GLN 8 CO 0.77 -0.70 0.49 0.08 -2.12 0.00 0.00 175.29 173.82 2kvz s VAL 9 N 2.74 5.10 -0.39 1.09 1.01 0.59 -0.27 120.40 130.28 2kvz s VAL 9 Ca 0.26 0.85 -0.07 0.00 0.00 0.00 0.00 61.98 63.02 2kvz s VAL 9 Cb -0.14 -3.81 0.07 0.00 0.00 0.00 0.00 36.38 32.50 2kvz s VAL 9 CO 0.14 0.14 0.19 -0.89 0.00 0.00 0.00 175.10 174.68 2kvz s THR 10 N 1.98 3.88 -0.35 3.92 2.01 0.22 0.55 115.64 127.86 2kvz s THR 10 Ca 0.21 -1.43 -0.20 0.00 0.31 0.00 0.00 61.69 60.59 2kvz s THR 10 Cb -0.15 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.00 2kvz s THR 10 CO 0.09 -0.42 0.61 -0.69 -0.69 0.00 0.00 174.62 173.52 2kvz s VAL 11 N 1.36 4.92 -0.18 3.82 1.01 -0.07 0.15 120.40 131.41 2kvz s VAL 11 Ca 0.02 0.57 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 2kvz s VAL 11 Cb -0.22 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 2kvz s VAL 11 CO 0.01 -0.28 -0.06 0.21 0.00 0.00 0.00 175.10 174.98 2kvz s ASN 12 N 1.77 4.37 -0.50 3.32 3.84 -0.11 -1.67 114.94 125.95 2kvz s ASN 12 Ca 0.23 -0.30 -0.19 0.00 0.21 0.00 0.00 52.86 52.81 2kvz s ASN 12 Cb -0.15 -1.72 0.06 0.00 -0.55 0.00 0.00 41.25 38.89 2kvz s ASN 12 CO 0.14 0.08 0.64 -0.31 -2.79 0.00 0.00 177.10 174.85 2kvz s TYR 13 N 0.91 3.04 -0.15 0.43 1.51 -1.26 -1.13 117.35 120.69 2kvz s TYR 13 Ca -0.01 -0.50 -0.07 0.00 -1.01 0.00 0.00 57.07 55.48 2kvz s TYR 13 Cb -0.15 -3.55 -0.04 0.00 -0.11 0.00 0.00 41.96 38.12 2kvz s TYR 13 CO 0.01 -1.04 0.10 -0.51 -1.11 0.00 0.00 175.55 173.00 2kvz s LEU 14 N 2.68 4.08 -0.64 -1.29 1.43 0.13 -1.96 118.68 123.12 2kvz s LEU 14 Ca 0.16 0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.40 2kvz s LEU 14 Cb -0.19 -2.01 0.16 0.00 0.03 0.00 0.00 46.19 44.19 2kvz s LEU 14 CO 0.12 0.29 0.56 -0.62 0.23 0.00 0.00 176.35 176.93 2kvz s ASP 15 N -0.30 6.17 0.00 2.29 2.15 0.72 -0.12 116.67 127.57 2kvz s ASP 15 Ca 0.10 -2.28 0.00 0.00 0.43 0.00 0.00 52.55 50.79 2kvz s ASP 15 Cb -0.12 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.38 2kvz s ASP 15 CO 0.01 -0.66 0.00 1.21 -0.17 0.00 0.00 175.17 175.57 2kvz n GLU 16 N 4.48 0.00 -0.03 4.34 2.13 0.12 -3.43 120.64 128.25 2kvz n GLU 16 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kvz n GLU 16 Cb 0.42 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.14 2kvz n GLU 16 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2kvz n ASN 17 N 0.42 1.97 -1.51 4.31 5.03 -1.26 -4.76 115.26 119.45 2kvz n ASN 17 Ca 0.00 -2.04 -0.15 0.00 0.87 0.00 0.00 54.58 53.25 2kvz n ASN 17 Cb 0.00 -0.51 -0.03 0.00 -1.02 0.00 0.00 39.78 38.22 2kvz n ASN 17 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2kvz n ASN 18 N 0.21 -4.73 -4.62 6.41 3.02 -1.22 -4.98 115.26 109.34 2kvz n ASN 18 Ca 0.01 0.16 -0.40 0.00 -0.03 0.00 0.00 54.58 54.32 2kvz n ASN 18 Cb 0.39 -3.75 -0.07 0.00 -0.61 0.00 0.00 39.78 35.74 2kvz n ASN 18 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2kvz s THR 19 N -2.69 5.04 -0.18 3.41 2.01 -1.24 -4.77 115.64 117.23 2kvz s THR 19 Ca 0.00 0.96 -0.29 0.00 0.31 0.00 0.00 61.69 62.67 2kvz s THR 19 Cb 0.00 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2kvz s THR 19 CO 0.00 0.07 1.79 -0.44 -0.69 0.00 0.00 174.62 175.35 2kvz s SER 20 N 1.50 6.20 -0.02 3.53 0.01 -1.26 -0.20 113.70 123.47 2kvz s SER 20 Ca 0.23 1.83 0.21 0.00 1.31 0.00 0.00 55.95 59.52 2kvz s SER 20 Cb -0.16 -2.53 -0.30 0.00 0.21 0.00 0.00 66.02 63.25 2kvz s SER 20 CO 0.09 -1.37 0.60 2.30 0.41 0.00 0.00 173.24 175.26 2kvz n ILE 21 N 6.56 0.00 -4.40 1.44 -5.35 -0.83 -4.95 119.36 111.83 2kvz n ILE 21 Ca 0.21 -0.33 -0.25 0.00 -0.27 0.00 0.00 62.75 62.11 2kvz n ILE 21 Cb 0.45 0.33 -0.11 0.00 -1.74 0.00 0.00 39.64 38.56 2kvz n ILE 21 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2kvz s ALA 22 N -3.30 2.37 0.60 -1.28 0.00 -1.25 -5.11 121.76 113.79 2kvz s ALA 22 Ca -0.03 -1.62 -0.20 0.00 0.00 0.00 0.00 51.96 50.12 2kvz s ALA 22 Cb 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 2kvz s ALA 22 CO 0.87 0.34 1.31 -2.30 0.00 0.00 0.00 175.76 175.98 2kvz n PRO 23 N 0.17 1.35 -1.99 0.00 -0.02 -1.26 -4.55 135.00 128.70 2kvz n PRO 23 Ca -0.12 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 2kvz n PRO 23 Cb 0.57 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.49 2kvz n PRO 23 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kvz s SER 24 N -1.17 6.51 -0.51 2.55 0.15 -1.26 -4.75 113.70 115.21 2kvz s SER 24 Ca 0.78 2.08 -0.22 0.00 0.70 0.00 0.00 55.95 59.29 2kvz s SER 24 Cb -0.40 -2.53 0.04 0.00 -1.71 0.00 0.00 66.02 61.42 2kvz s SER 24 CO 0.44 -1.08 0.78 -0.22 1.20 0.00 0.00 173.24 174.36 2kvz s LEU 25 N 4.62 4.48 -0.44 3.45 2.96 -0.67 -4.94 118.68 128.13 2kvz s LEU 25 Ca 0.75 -0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 53.91 2kvz s LEU 25 Cb -0.32 -2.69 0.02 0.00 0.50 0.00 0.00 46.19 43.70 2kvz s LEU 25 CO 0.30 -1.02 0.76 -0.31 -1.32 0.00 0.00 176.35 174.76 2kvz s TYR 26 N 3.28 3.01 -0.53 5.38 2.02 -1.26 -0.89 117.35 128.36 2kvz s TYR 26 Ca 0.24 0.16 -0.11 0.00 -0.37 0.00 0.00 57.07 57.00 2kvz s TYR 26 Cb -0.15 -3.59 0.13 0.00 -0.40 0.00 0.00 41.96 37.96 2kvz s TYR 26 CO 0.17 -0.94 0.42 -1.17 -1.57 0.00 0.00 175.55 172.46 2kvz s LEU 27 N 3.19 5.87 -0.21 -1.29 2.96 0.19 -4.95 118.68 124.46 2kvz s LEU 27 Ca 0.29 -2.02 -0.09 0.00 -0.22 0.00 0.00 54.13 52.08 2kvz s LEU 27 Cb -0.13 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.46 2kvz s LEU 27 CO 0.22 -0.70 0.12 -0.94 -1.32 0.00 0.00 176.35 173.73 2kvz s SER 28 N 2.70 6.02 0.00 3.68 1.04 -1.26 -0.30 113.70 125.58 2kvz s SER 28 Ca 0.07 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.66 2kvz s SER 28 Cb -0.25 -2.06 0.00 0.00 0.10 0.00 0.00 66.02 63.81 2kvz s SER 28 CO -0.01 0.15 0.00 0.61 0.98 0.00 0.00 173.24 174.97 2kvz n GLY 29 N 3.72 4.85 3.69 7.32 0.00 -1.14 -5.02 105.19 118.60 2kvz n GLY 29 Ca -0.16 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.62 2kvz n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kvz s LEU 30 N 0.00 3.20 0.07 0.99 1.43 -1.26 -4.73 118.68 118.39 2kvz s LEU 30 Ca 0.00 -0.76 -0.30 0.00 -1.03 0.00 0.00 54.13 52.04 2kvz s LEU 30 Cb 0.00 -1.68 -0.10 0.00 0.03 0.00 0.00 46.19 44.45 2kvz s LEU 30 CO 0.00 -0.19 1.93 0.33 0.23 0.00 0.00 176.35 178.65 2kvz n PHE 31 N -1.04 2.57 -1.74 0.29 7.35 -1.26 -1.69 117.46 121.94 2kvz n PHE 31 Ca -0.04 -0.30 -0.18 0.00 -0.76 0.00 0.00 57.45 56.17 2kvz n PHE 31 Cb 0.61 -2.78 -0.06 0.00 0.35 0.00 0.00 39.48 37.60 2kvz n PHE 31 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2kvz n ASN 32 N 6.82 -5.14 -4.82 -2.13 3.02 -0.03 -4.87 115.26 108.11 2kvz n ASN 32 Ca 0.19 0.31 -0.35 0.00 -0.03 0.00 0.00 54.58 54.70 2kvz n ASN 32 Cb 0.40 -4.20 -0.06 0.00 -0.61 0.00 0.00 39.78 35.30 2kvz n ASN 32 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2kvz s GLU 33 N -3.88 4.20 0.23 3.52 2.12 -0.68 -4.64 118.70 119.56 2kvz s GLU 33 Ca 0.00 0.86 -0.30 0.00 0.36 0.00 0.00 54.97 55.89 2kvz s GLU 33 Cb 0.00 -2.68 -0.09 0.00 0.26 0.00 0.00 34.13 31.62 2kvz s GLU 33 CO 0.00 0.28 1.00 0.00 -0.54 0.00 0.00 175.26 176.00 2kvz s ALA 34 N -1.72 3.35 0.06 6.30 0.00 -1.21 -2.69 121.76 125.85 2kvz s ALA 34 Ca 0.48 0.71 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2kvz s ALA 34 Cb -0.14 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 2kvz s ALA 34 CO 0.20 0.04 -0.05 1.52 0.00 0.00 0.00 175.76 177.47 2kvz s TYR 35 N -0.94 0.64 -0.04 0.00 -0.85 -1.26 -5.00 117.35 109.91 2kvz s TYR 35 Ca 0.43 -0.93 -0.10 0.00 -0.52 0.00 0.00 57.07 55.96 2kvz s TYR 35 Cb -0.28 -0.42 -0.05 0.00 0.38 0.00 0.00 41.96 41.60 2kvz s TYR 35 CO 0.34 -0.26 0.27 -0.80 -1.52 0.00 0.00 175.55 173.59 2kvz s ASN 36 N -2.76 6.57 -0.50 -0.18 0.01 -1.26 -4.72 114.94 112.10 2kvz s ASN 36 Ca 0.06 0.67 -0.13 0.00 -0.71 0.00 0.00 52.86 52.75 2kvz s ASN 36 Cb 0.04 -2.14 0.12 0.00 0.41 0.00 0.00 41.25 39.68 2kvz s ASN 36 CO -0.07 0.33 0.42 -0.69 -1.51 0.00 0.00 177.10 175.58 2kvz s VAL 37 N -1.13 4.73 -0.66 1.60 1.01 -1.26 -5.04 120.40 119.65 2kvz s VAL 37 Ca 0.22 -1.60 -0.27 0.00 0.00 0.00 0.00 61.98 60.33 2kvz s VAL 37 Cb -0.14 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.21 2kvz s VAL 37 CO 0.11 -0.80 1.46 -2.84 0.00 0.00 0.00 175.10 173.03 2kvz s PRO 38 N 1.49 3.08 -0.04 2.72 0.02 -1.26 -4.86 135.00 136.15 2kvz s PRO 38 Ca 0.04 0.15 -0.15 0.00 0.02 0.00 0.00 61.00 61.06 2kvz s PRO 38 Cb -0.28 -4.22 -0.09 0.00 0.02 0.00 0.00 34.50 29.94 2kvz s PRO 38 CO 0.01 -2.24 0.64 0.52 -0.33 0.00 0.00 177.00 175.61 2kvz h MET 39 N 11.50 -0.45 -1.64 5.54 2.86 -2.06 -3.50 114.93 127.18 2kvz h MET 39 Ca -0.27 0.03 0.11 0.00 -2.06 0.00 0.00 59.70 57.51 2kvz h MET 39 Cb 1.09 0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.79 2kvz h MET 39 CO 1.24 -0.24 -0.54 1.63 1.06 0.00 0.00 176.91 180.05 2kvz n LYS 40 N -5.09 -1.64 -2.51 1.72 5.02 -1.26 -4.77 118.16 109.62 2kvz n LYS 40 Ca -0.07 1.32 -0.43 0.00 -2.02 0.00 0.00 58.31 57.12 2kvz n LYS 40 Cb 0.21 -1.80 -0.02 0.00 -0.02 0.00 0.00 35.03 33.40 2kvz n LYS 40 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2kvz s LYS 41 N -3.93 3.83 0.51 1.97 2.20 -1.26 -5.02 119.74 118.03 2kvz s LYS 41 Ca 0.00 0.94 0.05 0.00 -0.36 0.00 0.00 55.97 56.60 2kvz s LYS 41 Cb 0.00 -3.88 0.04 0.00 -1.51 0.00 0.00 37.83 32.47 2kvz s LYS 41 CO 0.00 -1.23 0.71 0.42 -0.36 0.00 0.00 175.35 174.88 2kvz s ILE 42 N 4.42 2.72 -1.09 5.43 1.01 -1.26 -4.97 121.20 127.46 2kvz s ILE 42 Ca 0.52 -0.84 -0.25 0.00 0.00 0.00 0.00 60.65 60.09 2kvz s ILE 42 Cb -0.12 -2.88 -0.13 0.00 0.01 0.00 0.00 42.46 39.34 2kvz s ILE 42 CO 0.26 0.00 2.03 -0.75 0.00 0.00 0.00 174.94 176.48 2kvz s LYS 43 N -4.60 1.98 -1.03 2.79 2.20 -1.26 -4.13 119.74 115.68 2kvz s LYS 43 Ca 0.57 -0.69 -0.08 0.00 -0.36 0.00 0.00 55.97 55.42 2kvz s LYS 43 Cb -0.09 -5.10 -0.05 0.00 -1.51 0.00 0.00 37.83 31.07 2kvz s LYS 43 CO 0.37 -4.48 0.88 0.41 -0.36 0.00 0.00 175.35 172.17 2kvz n GLY 44 N 6.12 -1.15 3.21 5.54 0.00 -1.26 -4.97 105.19 112.67 2kvz n GLY 44 Ca 0.43 0.56 -0.26 0.00 0.00 0.00 0.00 46.02 46.75 2kvz n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kvz s TYR 45 N -3.36 1.73 -0.16 1.61 2.02 -1.26 -3.94 117.35 114.00 2kvz s TYR 45 Ca 0.42 -0.34 -0.03 0.00 -0.37 0.00 0.00 57.07 56.75 2kvz s TYR 45 Cb -0.07 -1.09 -0.02 0.00 -0.40 0.00 0.00 41.96 40.37 2kvz s TYR 45 CO 0.76 -0.00 -0.05 0.99 -1.57 0.00 0.00 175.55 175.68 2kvz s THR 46 N -0.53 3.72 0.06 -0.71 2.01 -1.06 -4.91 115.64 114.21 2kvz s THR 46 Ca 0.07 -0.42 -0.31 0.00 0.31 0.00 0.00 61.69 61.35 2kvz s THR 46 Cb -0.08 -2.62 -0.08 0.00 0.01 0.00 0.00 72.50 69.73 2kvz s THR 46 CO -0.00 0.49 1.66 -0.22 -0.69 0.00 0.00 174.62 175.86 2kvz s LEU 47 N 0.45 4.36 -0.18 4.42 2.96 -1.26 0.12 118.68 129.55 2kvz s LEU 47 Ca -0.05 2.47 -0.12 0.00 -0.22 0.00 0.00 54.13 56.22 2kvz s LEU 47 Cb -0.15 -3.56 -0.22 0.00 0.50 0.00 0.00 46.19 42.77 2kvz s LEU 47 CO 0.03 -0.89 0.20 -0.11 -1.32 0.00 0.00 176.35 174.26 2kvz n LEU 48 N 5.72 2.33 0.00 -0.68 7.94 0.35 -4.72 117.00 127.94 2kvz n LEU 48 Ca 0.16 0.27 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2kvz n LEU 48 Cb 0.41 -1.02 0.00 0.00 0.53 0.00 0.00 43.42 43.33 2kvz n LEU 48 CO 0.63 0.63 0.00 1.17 -1.11 0.00 0.00 177.39 178.71 2kvz n LYS 49 N -3.87 0.00 -4.27 1.96 4.81 -0.79 -5.00 118.16 110.99 2kvz n LYS 49 Ca -0.35 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 56.89 2kvz n LYS 49 Cb 0.90 0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.82 2kvz n LYS 49 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2kvz s TYR 50 N -2.00 1.33 -0.62 5.64 -0.85 -1.26 -0.32 117.35 119.26 2kvz s TYR 50 Ca 0.00 -0.41 0.04 0.00 -0.52 0.00 0.00 57.07 56.18 2kvz s TYR 50 Cb 0.00 -0.76 0.16 0.00 0.38 0.00 0.00 41.96 41.74 2kvz s TYR 50 CO 0.00 0.07 0.41 -0.51 -1.52 0.00 0.00 175.55 174.00 2kvz s ASP 51 N -1.52 4.32 0.00 -0.18 1.11 0.10 -5.00 116.67 115.50 2kvz s ASP 51 Ca 0.01 -3.52 0.00 0.00 0.18 0.00 0.00 52.55 49.22 2kvz s ASP 51 Cb -0.09 -1.48 0.00 0.00 1.07 0.00 0.00 42.92 42.42 2kvz s ASP 51 CO 0.02 -0.14 0.00 -0.24 1.18 0.00 0.00 175.17 176.00 2kvz n SER 52 N 2.40 0.00 -4.25 0.27 2.88 -1.26 -3.07 113.62 110.59 2kvz n SER 52 Ca 0.17 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.31 2kvz n SER 52 Cb 0.36 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.72 2kvz n SER 52 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 2kvz s GLU 53 N -0.98 2.56 -0.48 -1.46 2.02 -1.26 -4.92 118.70 114.18 2kvz s GLU 53 Ca 0.00 -1.51 0.02 0.00 0.02 0.00 0.00 54.97 53.50 2kvz s GLU 53 Cb 0.00 -3.78 0.54 0.00 0.10 0.00 0.00 34.13 30.99 2kvz s GLU 53 CO 0.00 -0.99 1.91 0.44 0.02 0.00 0.00 175.26 176.64 2kvz n ILE 54 N 4.90 3.18 0.14 -1.63 -5.35 -1.26 -4.62 119.36 114.72 2kvz n ILE 54 Ca -0.09 -2.07 -0.06 0.00 -0.27 0.00 0.00 62.75 60.25 2kvz n ILE 54 Cb 0.43 -0.74 -0.03 0.00 -1.74 0.00 0.00 39.64 37.55 2kvz n ILE 54 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2kvz h LEU 55 N 1.36 -0.35 0.00 7.28 4.07 -1.95 -3.48 115.31 122.24 2kvz h LEU 55 Ca 0.58 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.55 2kvz h LEU 55 Cb 2.09 0.09 0.00 0.00 1.08 0.00 0.00 40.66 43.92 2kvz h LEU 55 CO 1.16 -0.06 0.00 0.61 -1.08 0.00 0.00 178.44 179.08 2kvz n GLY 56 N 0.40 0.00 2.76 0.83 0.00 -1.26 -4.90 105.19 103.02 2kvz n GLY 56 Ca -0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.76 2kvz n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kvz s VAL 57 N 0.00 0.25 0.05 1.61 -7.23 -1.25 -3.33 120.40 110.50 2kvz s VAL 57 Ca 0.00 0.17 -0.31 0.00 -1.81 0.00 0.00 61.98 60.04 2kvz s VAL 57 Cb 0.00 -0.41 -0.06 0.00 0.56 0.00 0.00 36.38 36.47 2kvz s VAL 57 CO 0.00 0.22 1.30 -0.36 -0.31 0.00 0.00 175.10 175.95 2kvz s PHE 58 N 1.81 3.23 0.22 2.82 0.08 -1.09 -4.80 117.98 120.24 2kvz s PHE 58 Ca 0.02 1.09 -0.04 0.00 0.12 0.00 0.00 56.93 58.11 2kvz s PHE 58 Cb -0.12 -3.55 -0.05 0.00 -0.57 0.00 0.00 43.02 38.72 2kvz s PHE 58 CO -0.04 -1.85 0.46 0.95 -0.10 0.00 0.00 175.22 174.64 2kvz s THR 59 N 1.48 5.10 0.15 0.64 -4.23 -1.26 -0.85 115.64 116.66 2kvz s THR 59 Ca 0.61 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.99 2kvz s THR 59 Cb -0.32 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 69.87 2kvz s THR 59 CO 0.28 -0.15 1.66 -0.33 -0.54 0.00 0.00 174.62 175.54 2kvz h GLU 60 N 2.21 0.81 -6.96 3.99 5.08 -1.93 -3.34 114.58 114.42 2kvz h GLU 60 Ca -0.47 -0.19 -0.47 0.00 -1.00 0.00 0.00 59.36 57.23 2kvz h GLU 60 Cb 1.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2kvz h GLU 60 CO 0.69 0.77 0.25 -1.12 -1.00 0.00 0.00 179.01 178.60 2kvz s SER 61 N -6.15 6.78 -0.22 1.42 0.01 -1.26 -2.67 113.70 111.62 2kvz s SER 61 Ca -0.13 1.49 -0.35 0.00 1.31 0.00 0.00 55.95 58.26 2kvz s SER 61 Cb 0.12 -2.46 -0.12 0.00 0.21 0.00 0.00 66.02 63.76 2kvz s SER 61 CO 0.79 -0.36 1.97 -0.81 0.41 0.00 0.00 173.24 175.24 2kvz n PRO 62 N -0.81 1.61 -3.06 12.44 -0.04 -1.26 -4.60 135.00 139.28 2kvz n PRO 62 Ca 0.05 0.55 -0.43 0.00 -0.04 0.00 0.00 63.50 63.63 2kvz n PRO 62 Cb 0.54 -2.51 -0.06 0.00 -0.04 0.00 0.00 33.50 31.43 2kvz n PRO 62 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2kvz s GLN 63 N 4.75 3.30 -0.38 0.54 0.74 0.63 -4.96 119.66 124.28 2kvz s GLN 63 Ca 1.00 -0.34 -0.20 0.00 0.05 0.00 0.00 55.36 55.86 2kvz s GLN 63 Cb -0.80 -3.97 0.01 0.00 1.10 0.00 0.00 33.01 29.35 2kvz s GLN 63 CO 0.53 -1.08 0.63 0.99 -0.55 0.00 0.00 175.29 175.81 2kvz s THR 64 N 2.99 4.88 -0.49 -0.34 2.01 -1.26 0.73 115.64 124.15 2kvz s THR 64 Ca 0.24 0.40 -0.12 0.00 0.31 0.00 0.00 61.69 62.51 2kvz s THR 64 Cb -0.14 -4.11 0.12 0.00 0.01 0.00 0.00 72.50 68.38 2kvz s THR 64 CO 0.19 -0.40 0.40 -0.63 -0.69 0.00 0.00 174.62 173.49 2kvz s ILE 65 N 2.72 4.69 -0.64 1.82 1.01 0.12 -4.63 121.20 126.29 2kvz s ILE 65 Ca 0.23 -1.59 -0.25 0.00 0.00 0.00 0.00 60.65 59.05 2kvz s ILE 65 Cb -0.14 -4.01 0.05 0.00 0.01 0.00 0.00 42.46 38.36 2kvz s ILE 65 CO 0.16 -0.77 1.07 0.20 0.00 0.00 0.00 174.94 175.60 2kvz s ASN 66 N 2.99 6.26 -0.34 3.58 0.01 -1.17 -0.94 114.94 125.32 2kvz s ASN 66 Ca 0.04 -0.49 -0.11 0.00 -0.71 0.00 0.00 52.86 51.59 2kvz s ASN 66 Cb -0.27 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 38.91 2kvz s ASN 66 CO 0.02 -1.48 0.20 -0.63 -1.51 0.00 0.00 177.10 173.69 2kvz s ILE 67 N 4.59 4.81 -0.22 0.60 1.01 -0.29 0.00 121.20 131.71 2kvz s ILE 67 Ca 0.31 -0.51 -0.06 0.00 0.00 0.00 0.00 60.65 60.39 2kvz s ILE 67 Cb -0.12 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 2kvz s ILE 67 CO 0.16 -0.07 0.02 -0.63 0.00 0.00 0.00 174.94 174.42 2kvz s ILE 68 N 1.63 3.98 0.01 2.92 1.01 0.56 0.17 121.20 131.48 2kvz s ILE 68 Ca 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.39 2kvz s ILE 68 Cb -0.18 -2.82 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 2kvz s ILE 68 CO 0.08 0.40 0.14 -0.31 0.00 0.00 0.00 174.94 175.25 2kvz s TYR 69 N 1.26 3.42 -0.02 3.97 1.51 0.82 -0.50 117.35 127.81 2kvz s TYR 69 Ca 0.04 0.26 -0.18 0.00 -1.01 0.00 0.00 57.07 56.18 2kvz s TYR 69 Cb -0.15 -1.77 -0.05 0.00 -0.11 0.00 0.00 41.96 39.88 2kvz s TYR 69 CO 0.01 0.60 0.50 -1.14 -1.11 0.00 0.00 175.55 174.41 2kvz s GLN 70 N -1.98 4.18 -0.50 -0.62 0.74 0.32 0.14 119.66 121.94 2kvz s GLN 70 Ca 0.27 0.55 -0.28 0.00 0.05 0.00 0.00 55.36 55.95 2kvz s GLN 70 Cb -0.12 -3.31 0.01 0.00 1.10 0.00 0.00 33.01 30.69 2kvz s GLN 70 CO 0.18 0.46 1.41 0.21 -0.55 0.00 0.00 175.29 177.00 2kvz s LYS 71 N -0.40 3.41 -0.93 1.67 2.20 -1.26 -2.57 119.74 121.86 2kvz s LYS 71 Ca 0.27 0.65 -0.24 0.00 -0.36 0.00 0.00 55.97 56.29 2kvz s LYS 71 Cb -0.17 -4.08 -0.00 0.00 -1.51 0.00 0.00 37.83 32.06 2kvz s LYS 71 CO 0.14 -1.78 1.72 0.15 -0.36 0.00 0.00 175.35 175.22 2kvz s LYS 72 N 5.27 3.00 -0.41 4.03 1.02 -1.25 -4.95 119.74 126.45 2kvz s LYS 72 Ca 0.56 -0.59 -0.29 0.00 0.02 0.00 0.00 55.97 55.67 2kvz s LYS 72 Cb -0.12 -5.13 0.02 0.00 -0.52 0.00 0.00 37.83 32.08 2kvz s LYS 72 CO 0.28 -2.84 1.13 0.00 -0.92 0.00 0.00 175.35 173.00 2kvz s ALA 73 N 7.83 3.30 -0.50 5.17 0.00 -1.26 -4.88 121.76 131.42 2kvz s ALA 73 Ca 0.59 -0.28 0.24 0.00 0.00 0.00 0.00 51.96 52.51 2kvz s ALA 73 Cb -0.04 -3.80 0.44 0.00 0.00 0.00 0.00 23.12 19.71 2kvz s ALA 73 CO -0.03 -1.93 1.62 -1.00 0.00 0.00 0.00 175.76 174.42 2kvz h PRO 74 N 8.81 0.00 -5.03 0.00 0.13 -1.98 -3.40 132.00 130.53 2kvz h PRO 74 Ca -0.22 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.22 2kvz h PRO 74 Cb 1.06 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.02 2kvz h PRO 74 CO 1.09 0.00 0.92 -1.21 -0.23 0.00 0.00 178.00 178.57 2kvz s GLU 75 N -3.19 3.66 0.08 0.86 0.41 -1.26 -5.00 118.70 114.26 2kvz s GLU 75 Ca 0.08 -1.84 -0.01 0.00 -0.41 0.00 0.00 54.97 52.79 2kvz s GLU 75 Cb 0.07 -4.95 -0.04 0.00 -1.78 0.00 0.00 34.13 27.43 2kvz s GLU 75 CO 0.66 -1.79 0.25 -0.65 -0.49 0.00 0.00 175.26 173.24 2kvz s GLN 76 N 2.63 3.47 0.37 1.61 -0.21 -1.26 -4.98 119.66 121.29 2kvz s GLN 76 Ca 0.34 -0.38 0.28 0.00 0.02 0.00 0.00 55.36 55.62 2kvz s GLN 76 Cb -0.04 -3.00 1.15 0.00 1.00 0.00 0.00 33.01 32.12 2kvz s GLN 76 CO -0.08 0.58 1.82 0.00 -2.12 0.00 0.00 175.29 175.48 2kvz h ALA 77 N 2.98 1.00 0.45 6.09 0.00 -1.98 -3.23 119.26 124.56 2kvz h ALA 77 Ca -0.45 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 2kvz h ALA 77 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2kvz h ALA 77 CO 0.75 0.00 -0.21 1.25 0.00 0.00 0.00 179.25 181.03 2kvz h LEU 78 N 0.00 -0.51 -8.52 0.00 5.85 -2.00 -3.40 115.31 106.73 2kvz h LEU 78 Ca 0.00 0.02 -0.68 0.00 0.84 0.00 0.00 57.88 58.06 2kvz h LEU 78 Cb 0.40 0.13 -0.17 0.00 0.37 0.00 0.00 40.66 41.39 2kvz h LEU 78 CO 0.00 -0.23 -0.04 -0.70 -0.34 0.00 0.00 178.44 177.14 2kvz s GLU 79 N -3.69 3.16 0.12 1.25 2.12 -1.22 -5.04 118.70 115.41 2kvz s GLU 79 Ca -0.09 -0.66 -0.30 0.00 0.36 0.00 0.00 54.97 54.28 2kvz s GLU 79 Cb 0.01 -3.99 -0.07 0.00 0.26 0.00 0.00 34.13 30.34 2kvz s GLU 79 CO 0.26 -0.99 1.24 -1.01 -0.54 0.00 0.00 175.26 174.23 2kvz s HIS 80 N 2.47 3.39 -0.20 5.30 3.76 -1.26 -4.43 115.29 124.31 2kvz s HIS 80 Ca 0.16 1.26 -0.04 0.00 -0.15 0.00 0.00 55.06 56.30 2kvz s HIS 80 Cb -0.17 -3.49 -0.01 0.00 1.11 0.00 0.00 32.58 30.03 2kvz s HIS 80 CO 0.15 -1.51 -0.05 -1.01 -0.85 0.00 0.00 174.74 171.47 2kvz s HIS 81 N 0.66 2.95 0.28 1.40 0.09 -1.26 -4.97 115.29 114.44 2kvz s HIS 81 Ca 0.58 -0.81 0.04 0.00 -0.00 0.00 0.00 55.06 54.87 2kvz s HIS 81 Cb -0.32 -2.06 0.40 0.00 -0.00 0.00 0.00 32.58 30.60 2kvz s HIS 81 CO 0.32 -0.44 1.70 0.45 -0.00 0.00 0.00 174.74 176.77 2kvz h HIS 82 N 7.79 0.45 -1.82 1.40 3.86 -2.04 -3.03 115.15 121.76 2kvz h HIS 82 Ca -0.38 -0.11 -0.78 0.00 -1.16 0.00 0.00 60.37 57.94 2kvz h HIS 82 Cb 1.17 -0.11 -0.21 0.00 1.06 0.00 0.00 27.41 29.33 2kvz h HIS 82 CO 0.57 0.69 1.62 1.58 0.86 0.00 0.00 177.93 183.25 2kvz n HIS 83 N -4.07 2.67 -2.04 2.45 -0.00 -1.26 -5.00 115.22 107.97 2kvz n HIS 83 Ca -0.01 -2.68 -0.42 0.00 -0.00 0.00 0.00 57.72 54.62 2kvz n HIS 83 Cb 0.45 -1.49 -0.03 0.00 -0.00 0.00 0.00 29.99 28.92 2kvz n HIS 83 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kvz s HIS 84 N -2.74 3.10 -2.27 1.57 2.46 -1.15 -5.15 115.29 111.11 2kvz s HIS 84 Ca 0.44 0.91 0.30 0.00 0.47 0.00 0.00 55.06 57.18 2kvz s HIS 84 Cb 0.17 -3.80 1.44 0.00 -0.13 0.00 0.00 32.58 30.26 2kvz s HIS 84 CO -0.09 -2.76 1.96 0.72 -2.47 0.00 0.00 174.74 172.10