#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvz n ASP 2 N 0.00 1.98 -4.91 7.83 8.00 -1.26 -4.91 116.55 123.28 2kvz n ASP 2 Ca 0.00 0.29 -0.28 0.00 0.71 0.00 0.00 54.79 55.51 2kvz n ASP 2 Cb 0.00 -0.87 0.06 0.00 -0.02 0.00 0.00 41.12 40.29 2kvz n ASP 2 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2kvz s PHE 3 N -2.46 3.12 -1.03 1.24 5.36 -1.26 -4.08 117.98 118.87 2kvz s PHE 3 Ca -0.28 0.73 -0.03 0.00 -0.96 0.00 0.00 56.93 56.38 2kvz s PHE 3 Cb 0.08 -3.11 0.00 0.00 -0.34 0.00 0.00 43.02 39.65 2kvz s PHE 3 CO 0.64 -1.28 0.40 0.41 -1.46 0.00 0.00 175.22 173.93 2kvz n GLY 4 N -2.95 -0.11 3.78 13.12 0.00 -1.26 -5.00 105.19 112.77 2kvz n GLY 4 Ca 0.07 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 2kvz n GLY 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kvz s LYS 5 N -5.30 3.97 -0.21 1.61 2.20 -1.26 -5.04 119.74 115.71 2kvz s LYS 5 Ca 0.20 -0.04 -0.28 0.00 -0.36 0.00 0.00 55.97 55.48 2kvz s LYS 5 Cb -0.09 -3.34 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2kvz s LYS 5 CO 0.25 0.46 2.01 -2.14 -0.36 0.00 0.00 175.35 175.57 2kvz s PRO 6 N -0.14 3.38 0.13 4.03 0.02 -1.26 -4.74 135.00 136.42 2kvz s PRO 6 Ca 0.14 1.91 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 2kvz s PRO 6 Cb -0.12 -4.26 -0.06 0.00 0.02 0.00 0.00 34.50 30.07 2kvz s PRO 6 CO 0.03 -1.81 1.07 -0.80 -0.33 0.00 0.00 177.00 175.16 2kvz s ASN 7 N 6.81 7.30 -0.34 2.53 0.01 -1.06 -4.73 114.94 125.46 2kvz s ASN 7 Ca 0.91 1.97 -0.12 0.00 -0.71 0.00 0.00 52.86 54.90 2kvz s ASN 7 Cb -0.31 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.75 2kvz s ASN 7 CO 0.35 -0.22 0.22 -1.10 -1.51 0.00 0.00 177.10 174.83 2kvz s GLN 8 N 0.06 3.36 -0.48 -0.60 -0.21 -1.26 -2.63 119.66 117.90 2kvz s GLN 8 Ca 0.50 -0.73 -0.22 0.00 0.02 0.00 0.00 55.36 54.94 2kvz s GLN 8 Cb -0.27 -3.75 0.04 0.00 1.00 0.00 0.00 33.01 30.02 2kvz s GLN 8 CO 0.32 -0.48 0.75 0.08 -2.12 0.00 0.00 175.29 173.84 2kvz s VAL 9 N 1.68 4.68 -0.39 1.09 1.01 0.17 -3.42 120.40 125.22 2kvz s VAL 9 Ca 0.05 0.12 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 2kvz s VAL 9 Cb -0.18 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 31.88 2kvz s VAL 9 CO 0.09 -0.80 0.66 -0.89 0.00 0.00 0.00 175.10 174.16 2kvz s THR 10 N 3.18 4.84 -0.48 3.92 2.01 0.25 0.34 115.64 129.71 2kvz s THR 10 Ca 0.25 0.44 -0.23 0.00 0.31 0.00 0.00 61.69 62.46 2kvz s THR 10 Cb -0.14 -4.14 0.03 0.00 0.01 0.00 0.00 72.50 68.26 2kvz s THR 10 CO 0.19 -0.44 0.83 -0.69 -0.69 0.00 0.00 174.62 173.82 2kvz s VAL 11 N 2.81 4.57 -0.13 3.82 1.01 0.16 0.33 120.40 132.98 2kvz s VAL 11 Ca 0.25 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.61 2kvz s VAL 11 Cb -0.14 -4.39 -0.01 0.00 0.00 0.00 0.00 36.38 31.84 2kvz s VAL 11 CO 0.17 -0.83 -0.13 0.21 0.00 0.00 0.00 175.10 174.51 2kvz s ASN 12 N 2.35 3.98 -0.46 3.32 3.84 -0.45 -1.97 114.94 125.54 2kvz s ASN 12 Ca 0.30 -0.34 -0.17 0.00 0.21 0.00 0.00 52.86 52.86 2kvz s ASN 12 Cb -0.12 -1.60 0.05 0.00 -0.55 0.00 0.00 41.25 39.02 2kvz s ASN 12 CO 0.22 0.16 0.47 -0.31 -2.79 0.00 0.00 177.10 174.86 2kvz s TYR 13 N 0.35 3.16 0.01 0.43 2.02 -1.26 -0.73 117.35 121.33 2kvz s TYR 13 Ca -0.11 -0.62 0.03 0.00 -0.37 0.00 0.00 57.07 56.00 2kvz s TYR 13 Cb -0.16 -3.16 -0.03 0.00 -0.40 0.00 0.00 41.96 38.20 2kvz s TYR 13 CO 0.06 -0.83 -0.05 -0.51 -1.57 0.00 0.00 175.55 172.66 2kvz s LEU 14 N 2.10 3.28 0.86 -1.29 1.43 0.17 -1.46 118.68 123.77 2kvz s LEU 14 Ca 0.10 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.95 2kvz s LEU 14 Cb -0.20 -1.89 0.12 0.00 0.03 0.00 0.00 46.19 44.25 2kvz s LEU 14 CO 0.11 0.27 1.22 -0.62 0.23 0.00 0.00 176.35 177.56 2kvz s ASP 15 N -1.53 4.04 0.35 2.29 -1.08 0.88 0.27 116.67 121.89 2kvz s ASP 15 Ca 0.18 0.62 0.19 0.00 -0.52 0.00 0.00 52.55 53.02 2kvz s ASP 15 Cb -0.11 -0.97 0.50 0.00 -1.46 0.00 0.00 42.92 40.87 2kvz s ASP 15 CO 0.09 -2.19 1.64 -0.33 0.52 0.00 0.00 175.17 174.91 2kvz h GLU 16 N -1.26 0.00 0.00 4.34 5.08 -1.90 -0.05 114.58 120.80 2kvz h GLU 16 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2kvz h GLU 16 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2kvz h GLU 16 CO 0.57 0.38 0.00 0.09 -1.00 0.00 0.00 179.01 179.05 2kvz n ASN 17 N -3.37 0.00 -2.81 1.42 3.02 -1.26 -4.92 115.26 107.34 2kvz n ASN 17 Ca 0.01 -0.91 -0.07 0.00 -0.03 0.00 0.00 54.58 53.58 2kvz n ASN 17 Cb 0.58 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.76 2kvz n ASN 17 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2kvz n ASN 18 N -0.94 -7.82 -3.69 6.41 5.15 -0.03 -5.07 115.26 109.26 2kvz n ASN 18 Ca 0.17 0.57 -0.11 0.00 -0.60 0.00 0.00 54.58 54.62 2kvz n ASN 18 Cb 0.08 -5.29 -0.10 0.00 -0.53 0.00 0.00 39.78 33.94 2kvz n ASN 18 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2kvz s THR 19 N -2.52 -0.01 -0.61 -0.44 2.01 -1.25 -4.84 115.64 107.98 2kvz s THR 19 Ca 0.23 0.05 -0.26 0.00 0.31 0.00 0.00 61.69 62.02 2kvz s THR 19 Cb -0.06 -0.69 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 2kvz s THR 19 CO 0.75 0.02 2.07 -0.44 -0.69 0.00 0.00 174.62 176.33 2kvz s SER 20 N 1.05 4.91 0.35 3.53 0.01 -1.26 -0.09 113.70 122.21 2kvz s SER 20 Ca -0.06 0.45 0.25 0.00 1.31 0.00 0.00 55.95 57.89 2kvz s SER 20 Cb -0.06 -2.52 0.59 0.00 0.21 0.00 0.00 66.02 64.23 2kvz s SER 20 CO -0.09 -2.66 1.70 0.16 0.41 0.00 0.00 173.24 172.75 2kvz h ILE 21 N 7.22 0.00 -3.92 1.44 3.07 -1.59 -3.45 117.51 120.29 2kvz h ILE 21 Ca -0.20 -0.75 -0.35 0.00 1.55 0.00 0.00 64.86 65.11 2kvz h ILE 21 Cb 1.17 1.74 -0.21 0.00 -0.27 0.00 0.00 36.82 39.25 2kvz h ILE 21 CO 1.19 0.00 -0.76 0.00 -1.05 0.00 0.00 178.15 177.53 2kvz s ALA 22 N -3.19 0.96 -0.24 0.16 0.00 -1.25 -5.10 121.76 113.11 2kvz s ALA 22 Ca 0.08 -0.95 -0.37 0.00 0.00 0.00 0.00 51.96 50.72 2kvz s ALA 22 Cb 0.08 -0.03 -0.13 0.00 0.00 0.00 0.00 23.12 23.04 2kvz s ALA 22 CO 0.63 0.07 1.93 -2.30 0.00 0.00 0.00 175.76 176.08 2kvz n PRO 23 N 1.22 1.47 -3.20 0.00 -0.02 -1.26 -4.45 135.00 128.75 2kvz n PRO 23 Ca -0.21 0.51 -0.36 0.00 -2.02 0.00 0.00 63.50 61.42 2kvz n PRO 23 Cb 0.55 -2.40 -0.06 0.00 -0.02 0.00 0.00 33.50 31.57 2kvz n PRO 23 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2kvz s SER 24 N 4.88 6.98 0.02 2.55 1.04 -1.26 -4.86 113.70 123.05 2kvz s SER 24 Ca 1.00 1.29 0.05 0.00 0.48 0.00 0.00 55.95 58.76 2kvz s SER 24 Cb -0.88 -2.37 -0.02 0.00 0.10 0.00 0.00 66.02 62.85 2kvz s SER 24 CO 0.56 0.08 -0.14 -1.48 0.98 0.00 0.00 173.24 173.24 2kvz s LEU 25 N -1.89 2.13 -0.11 2.42 0.05 -0.83 -4.97 118.68 115.48 2kvz s LEU 25 Ca 0.40 -0.39 0.00 0.00 0.05 0.00 0.00 54.13 54.19 2kvz s LEU 25 Cb -0.16 -0.62 -0.02 0.00 -2.05 0.00 0.00 46.19 43.33 2kvz s LEU 25 CO 0.20 0.07 -0.11 -0.72 -0.55 0.00 0.00 176.35 175.24 2kvz s TYR 26 N -0.69 2.84 -0.27 3.48 -0.85 -1.26 0.41 117.35 121.01 2kvz s TYR 26 Ca 0.03 -0.37 -0.23 0.00 -0.52 0.00 0.00 57.07 55.97 2kvz s TYR 26 Cb -0.07 -1.80 -0.01 0.00 0.38 0.00 0.00 41.96 40.47 2kvz s TYR 26 CO 0.01 -0.01 0.77 -0.51 -1.52 0.00 0.00 175.55 174.29 2kvz s LEU 27 N -0.07 4.08 -0.77 -3.49 1.43 0.15 -4.83 118.68 115.19 2kvz s LEU 27 Ca -0.01 0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 53.76 2kvz s LEU 27 Cb -0.14 -3.08 0.16 0.00 0.03 0.00 0.00 46.19 43.17 2kvz s LEU 27 CO 0.03 -0.52 0.81 -0.44 0.23 0.00 0.00 176.35 176.47 2kvz s SER 28 N 1.47 6.55 0.06 2.29 0.01 -1.26 -0.66 113.70 122.15 2kvz s SER 28 Ca 0.32 -2.18 0.00 0.00 1.31 0.00 0.00 55.95 55.40 2kvz s SER 28 Cb -0.15 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2kvz s SER 28 CO 0.09 -0.83 0.01 0.61 0.41 0.00 0.00 173.24 173.53 2kvz n GLY 29 N 4.74 3.93 3.97 3.44 0.00 -1.08 -4.96 105.19 115.23 2kvz n GLY 29 Ca 0.08 -2.22 -0.21 0.00 0.00 0.00 0.00 46.02 43.67 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 4.08 0.12 0.99 1.43 -1.26 -2.56 118.68 121.48 2kvz s LEU 30 Ca 0.01 0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 52.91 2kvz s LEU 30 Cb -0.00 -2.97 -0.10 0.00 0.03 0.00 0.00 46.19 43.16 2kvz s LEU 30 CO 0.00 -0.29 1.69 0.12 0.23 0.00 0.00 176.35 178.11 2kvz s PHE 31 N -2.17 2.51 -0.59 0.29 5.36 -1.26 -3.27 117.98 118.85 2kvz s PHE 31 Ca 0.40 0.28 -0.06 0.00 -0.96 0.00 0.00 56.93 56.59 2kvz s PHE 31 Cb -0.09 -4.04 0.01 0.00 -0.34 0.00 0.00 43.02 38.56 2kvz s PHE 31 CO 0.32 -4.11 0.64 -1.71 -1.46 0.00 0.00 175.22 168.90 2kvz n ASN 32 N 5.14 -7.67 -3.95 6.13 5.15 0.71 -4.99 115.26 115.78 2kvz n ASN 32 Ca 0.16 0.18 -0.19 0.00 -0.60 0.00 0.00 54.58 54.13 2kvz n ASN 32 Cb 0.39 -5.20 -0.15 0.00 -0.53 0.00 0.00 39.78 34.28 2kvz n ASN 32 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2kvz s GLU 33 N -2.81 0.71 -0.61 1.20 2.12 -1.20 -4.87 118.70 113.23 2kvz s GLU 33 Ca 0.10 -0.20 -0.27 0.00 0.36 0.00 0.00 54.97 54.96 2kvz s GLU 33 Cb -0.03 -0.70 0.03 0.00 0.26 0.00 0.00 34.13 33.70 2kvz s GLU 33 CO 0.73 0.06 1.15 0.00 -0.54 0.00 0.00 175.26 176.66 2kvz s ALA 34 N 0.29 2.98 0.32 6.30 0.00 -1.25 -2.01 121.76 128.39 2kvz s ALA 34 Ca -0.04 -1.08 0.08 0.00 0.00 0.00 0.00 51.96 50.93 2kvz s ALA 34 Cb -0.08 -4.02 -0.04 0.00 0.00 0.00 0.00 23.12 18.98 2kvz s ALA 34 CO 0.00 -2.75 0.12 1.52 0.00 0.00 0.00 175.76 174.65 2kvz s TYR 35 N 4.88 2.73 -0.14 0.00 1.13 -0.04 -5.00 117.35 120.91 2kvz s TYR 35 Ca 0.38 -0.34 0.01 0.00 -1.41 0.00 0.00 57.07 55.71 2kvz s TYR 35 Cb -0.09 -1.55 -0.00 0.00 -1.10 0.00 0.00 41.96 39.22 2kvz s TYR 35 CO 0.21 0.40 -0.17 -0.80 -2.51 0.00 0.00 175.55 172.68 2kvz s ASN 36 N -3.82 3.60 -0.30 -0.18 0.01 -1.26 -4.60 114.94 108.38 2kvz s ASN 36 Ca 0.36 -0.47 -0.29 0.00 -0.71 0.00 0.00 52.86 51.75 2kvz s ASN 36 Cb -0.04 -1.54 0.01 0.00 0.41 0.00 0.00 41.25 40.10 2kvz s ASN 36 CO 0.22 0.11 1.09 0.54 -1.51 0.00 0.00 177.10 177.55 2kvz s VAL 37 N 0.69 4.51 -0.65 1.60 0.11 -1.26 -4.97 120.40 120.43 2kvz s VAL 37 Ca -0.08 1.75 -0.27 0.00 -2.93 0.00 0.00 61.98 60.45 2kvz s VAL 37 Cb -0.16 -4.38 -0.00 0.00 -1.53 0.00 0.00 36.38 30.31 2kvz s VAL 37 CO 0.02 -0.43 1.65 -2.84 -3.33 0.00 0.00 175.10 170.16 2kvz s PRO 38 N 3.62 2.85 -1.08 1.54 0.02 -1.26 -4.92 135.00 135.76 2kvz s PRO 38 Ca 0.46 0.34 -0.14 0.00 0.02 0.00 0.00 61.00 61.69 2kvz s PRO 38 Cb -0.13 -4.31 0.19 0.00 0.02 0.00 0.00 34.50 30.28 2kvz s PRO 38 CO 0.14 -2.49 1.22 -1.64 -0.33 0.00 0.00 177.00 173.90 2kvz s MET 39 N 6.52 3.96 0.09 5.54 -1.94 -1.26 -5.01 119.30 127.20 2kvz s MET 39 Ca 0.56 -2.55 -0.27 0.00 -1.71 0.00 0.00 55.69 51.72 2kvz s MET 39 Cb -0.11 -4.84 -0.06 0.00 2.01 0.00 0.00 34.83 31.83 2kvz s MET 39 CO 0.19 -1.59 0.84 0.15 -0.01 0.00 0.00 175.02 174.61 2kvz s LYS 40 N 0.97 4.59 -0.60 2.03 1.02 -1.26 -4.98 119.74 121.51 2kvz s LYS 40 Ca 0.35 1.23 -0.27 0.00 0.02 0.00 0.00 55.97 57.29 2kvz s LYS 40 Cb -0.06 -3.36 0.01 0.00 -0.52 0.00 0.00 37.83 33.91 2kvz s LYS 40 CO -0.05 0.29 1.46 0.21 -0.92 0.00 0.00 175.35 176.35 2kvz s LYS 41 N -0.18 3.18 -0.25 1.68 2.20 -1.26 -4.96 119.74 120.15 2kvz s LYS 41 Ca 0.41 0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 56.09 2kvz s LYS 41 Cb -0.22 -4.18 -0.02 0.00 -1.51 0.00 0.00 37.83 31.91 2kvz s LYS 41 CO 0.26 -2.10 1.49 0.42 -0.36 0.00 0.00 175.35 175.06 2kvz s ILE 42 N 6.47 3.87 -0.10 5.43 1.01 -1.26 -4.91 121.20 131.71 2kvz s ILE 42 Ca 0.52 0.99 -0.32 0.00 0.00 0.00 0.00 60.65 61.83 2kvz s ILE 42 Cb -0.11 -3.88 -0.10 0.00 0.01 0.00 0.00 42.46 38.38 2kvz s ILE 42 CO 0.22 -0.36 1.99 2.29 0.00 0.00 0.00 174.94 179.08 2kvz n LYS 43 N 7.51 2.22 -0.31 2.79 2.85 -1.26 -1.91 118.16 130.05 2kvz n LYS 43 Ca 0.17 0.78 0.00 0.00 -1.05 0.00 0.00 58.31 58.21 2kvz n LYS 43 Cb 0.46 -2.82 0.00 0.00 -0.65 0.00 0.00 35.03 32.02 2kvz n LYS 43 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2kvz n GLY 44 N 4.86 1.16 3.10 2.58 0.00 -1.26 -5.08 105.19 110.54 2kvz n GLY 44 Ca 0.25 -0.23 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.00 1.51 0.21 1.61 1.51 -0.81 -2.60 117.35 116.78 2kvz s TYR 45 Ca 0.00 -0.42 -0.11 0.00 -1.01 0.00 0.00 57.07 55.54 2kvz s TYR 45 Cb 0.00 -1.03 -0.07 0.00 -0.11 0.00 0.00 41.96 40.75 2kvz s TYR 45 CO 0.00 -0.14 0.54 0.99 -1.11 0.00 0.00 175.55 175.83 2kvz s THR 46 N 0.07 4.92 -0.09 -0.71 2.01 0.48 -4.84 115.64 117.48 2kvz s THR 46 Ca -0.03 0.54 -0.24 0.00 0.31 0.00 0.00 61.69 62.27 2kvz s THR 46 Cb -0.11 -3.64 -0.29 0.00 0.01 0.00 0.00 72.50 68.47 2kvz s THR 46 CO 0.02 0.01 0.81 0.25 -0.69 0.00 0.00 174.62 175.02 2kvz h LEU 47 N 2.80 0.29 0.00 4.42 5.85 -1.86 0.84 115.31 127.65 2kvz h LEU 47 Ca -0.47 -0.95 0.00 0.00 0.84 0.00 0.00 57.88 57.29 2kvz h LEU 47 Cb 1.18 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.11 2kvz h LEU 47 CO 0.68 1.27 0.00 -0.11 -0.34 0.00 0.00 178.44 179.94 2kvz n LEU 48 N -4.29 0.00 -3.56 2.25 0.00 -1.26 -4.36 117.00 105.77 2kvz n LEU 48 Ca -0.14 0.00 0.01 0.00 0.00 0.00 0.00 56.01 55.89 2kvz n LEU 48 Cb 0.70 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 44.07 2kvz n LEU 48 CO 0.42 0.00 0.88 -0.75 0.00 0.00 0.00 177.39 177.94 2kvz s LYS 49 N 0.00 0.15 0.60 1.96 2.20 -1.26 -5.15 119.74 118.24 2kvz s LYS 49 Ca 0.00 0.28 -0.07 0.00 -0.36 0.00 0.00 55.97 55.82 2kvz s LYS 49 Cb 0.00 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 2kvz s LYS 49 CO 0.00 -0.04 0.93 1.52 -0.36 0.00 0.00 175.35 177.41 2kvz s TYR 50 N 1.37 3.32 -0.01 4.03 -0.85 -1.26 -4.41 117.35 119.54 2kvz s TYR 50 Ca -0.07 0.77 -0.30 0.00 -0.52 0.00 0.00 57.07 56.95 2kvz s TYR 50 Cb -0.03 -2.75 -0.03 0.00 0.38 0.00 0.00 41.96 39.53 2kvz s TYR 50 CO -0.13 -0.83 1.04 0.34 -1.52 0.00 0.00 175.55 174.46 2kvz s ASP 51 N -4.29 7.28 0.66 -0.18 -1.08 -0.54 -4.84 116.67 113.68 2kvz s ASP 51 Ca 0.54 1.72 0.00 0.00 -0.52 0.00 0.00 52.55 54.29 2kvz s ASP 51 Cb -0.11 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 2kvz s ASP 51 CO 0.47 -0.35 0.00 -1.20 0.52 0.00 0.00 175.17 174.61 2kvz n SER 52 N 4.16 -5.28 -4.67 -0.34 7.64 -1.26 -4.55 113.62 109.33 2kvz n SER 52 Ca 0.07 0.31 -0.34 0.00 1.01 0.00 0.00 58.87 59.92 2kvz n SER 52 Cb 0.49 -0.86 -0.10 0.00 -1.01 0.00 0.00 64.21 62.74 2kvz n SER 52 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2kvz s GLU 53 N -0.48 2.90 -0.66 1.43 2.02 -1.26 -5.06 118.70 117.58 2kvz s GLU 53 Ca 0.00 -0.47 -0.24 0.00 0.02 0.00 0.00 54.97 54.28 2kvz s GLU 53 Cb 0.00 -2.73 0.06 0.00 0.10 0.00 0.00 34.13 31.56 2kvz s GLU 53 CO 0.00 0.68 1.02 0.42 0.02 0.00 0.00 175.26 177.40 2kvz s ILE 54 N -0.91 4.22 -0.05 -1.63 1.01 -1.26 -5.00 121.20 117.57 2kvz s ILE 54 Ca 0.14 -0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 2kvz s ILE 54 Cb -0.11 -4.71 -0.02 0.00 0.01 0.00 0.00 42.46 37.62 2kvz s ILE 54 CO 0.04 -1.49 1.02 -0.76 0.00 0.00 0.00 174.94 173.75 2kvz s LEU 55 N 4.37 4.30 -0.08 2.97 1.43 -1.26 -4.93 118.68 125.48 2kvz s LEU 55 Ca 0.26 1.63 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 2kvz s LEU 55 Cb -0.15 -3.56 0.08 0.00 0.03 0.00 0.00 46.19 42.59 2kvz s LEU 55 CO 0.12 -0.39 1.61 0.61 0.23 0.00 0.00 176.35 178.53 2kvz n GLY 56 N 3.05 2.71 2.96 -3.19 0.00 -1.26 -4.77 105.19 104.69 2kvz n GLY 56 Ca 0.08 -0.26 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.61 0.49 -0.52 1.61 -7.23 -1.26 -0.86 120.40 112.01 2kvz s VAL 57 Ca 0.09 -0.24 -0.27 0.00 -1.81 0.00 0.00 61.98 59.75 2kvz s VAL 57 Cb 0.07 -0.43 -0.01 0.00 0.56 0.00 0.00 36.38 36.57 2kvz s VAL 57 CO 0.01 0.15 1.75 -0.36 -0.31 0.00 0.00 175.10 176.33 2kvz s PHE 58 N 0.01 1.84 0.00 2.82 0.40 -0.85 -4.86 117.98 117.34 2kvz s PHE 58 Ca 0.00 0.68 0.00 0.00 -0.60 0.00 0.00 56.93 57.02 2kvz s PHE 58 Cb -0.04 -4.16 0.00 0.00 0.51 0.00 0.00 43.02 39.33 2kvz s PHE 58 CO -0.00 -2.40 0.00 0.25 0.70 0.00 0.00 175.22 173.76 2kvz n THR 59 N 7.20 0.00 0.16 0.64 -2.24 -1.26 -0.21 114.28 118.57 2kvz n THR 59 Ca 0.19 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 62.01 2kvz n THR 59 Cb 0.50 -1.88 0.19 0.00 -2.10 0.00 0.00 70.33 67.04 2kvz n THR 59 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kvz h GLU 60 N 0.00 0.00 -5.59 -0.78 5.08 -2.01 -3.44 114.58 107.85 2kvz h GLU 60 Ca 0.00 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.73 2kvz h GLU 60 Cb 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.17 2kvz h GLU 60 CO 0.00 0.45 -0.42 -1.54 -1.00 0.00 0.00 179.01 176.50 2kvz s SER 61 N -6.44 6.42 -0.37 1.42 1.04 -1.26 -5.03 113.70 109.47 2kvz s SER 61 Ca 0.02 0.49 -0.27 0.00 0.48 0.00 0.00 55.95 56.67 2kvz s SER 61 Cb 0.09 -2.12 -0.05 0.00 0.10 0.00 0.00 66.02 64.05 2kvz s SER 61 CO 0.71 0.30 2.15 -2.16 0.98 0.00 0.00 173.24 175.23 2kvz s PRO 62 N -0.51 2.79 -0.33 4.02 0.04 -1.26 -4.91 135.00 134.84 2kvz s PRO 62 Ca 0.15 1.56 -0.24 0.00 0.04 0.00 0.00 61.00 62.50 2kvz s PRO 62 Cb -0.13 -4.41 0.01 0.00 0.04 0.00 0.00 34.50 30.02 2kvz s PRO 62 CO 0.04 -2.49 0.83 -0.65 0.04 0.00 0.00 177.00 174.77 2kvz s GLN 63 N 6.88 3.90 -0.42 4.56 -0.21 -1.22 -4.87 119.66 128.27 2kvz s GLN 63 Ca 0.92 0.56 -0.24 0.00 0.02 0.00 0.00 55.36 56.61 2kvz s GLN 63 Cb -0.24 -3.76 0.02 0.00 1.00 0.00 0.00 33.01 30.03 2kvz s GLN 63 CO 0.30 -0.78 0.86 0.99 -2.12 0.00 0.00 175.29 174.54 2kvz s THR 64 N 3.13 4.59 -0.63 -0.19 2.01 -1.26 -0.58 115.64 122.70 2kvz s THR 64 Ca 0.34 0.75 -0.22 0.00 0.31 0.00 0.00 61.69 62.88 2kvz s THR 64 Cb -0.13 -4.34 0.08 0.00 0.01 0.00 0.00 72.50 68.11 2kvz s THR 64 CO 0.15 -0.68 0.89 -0.63 -0.69 0.00 0.00 174.62 173.66 2kvz s ILE 65 N 3.45 4.47 -1.10 1.82 1.01 0.15 -4.95 121.20 126.05 2kvz s ILE 65 Ca 0.34 -0.51 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 2kvz s ILE 65 Cb -0.12 -4.62 0.06 0.00 0.01 0.00 0.00 42.46 37.79 2kvz s ILE 65 CO 0.22 -1.35 1.52 0.20 0.00 0.00 0.00 174.94 175.54 2kvz s ASN 66 N 3.62 6.61 -0.52 3.58 0.01 -1.26 -1.34 114.94 125.63 2kvz s ASN 66 Ca 0.19 -1.76 -0.24 0.00 -0.71 0.00 0.00 52.86 50.34 2kvz s ASN 66 Cb -0.19 -2.57 0.04 0.00 0.41 0.00 0.00 41.25 38.94 2kvz s ASN 66 CO 0.09 -1.40 0.91 -0.63 -1.51 0.00 0.00 177.10 174.57 2kvz s ILE 67 N 4.68 4.45 -0.02 0.60 1.01 0.09 -1.47 121.20 130.54 2kvz s ILE 67 Ca 0.48 0.36 -0.12 0.00 0.00 0.00 0.00 60.65 61.37 2kvz s ILE 67 Cb 0.01 -4.48 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 2kvz s ILE 67 CO -0.05 -1.00 0.34 -0.63 0.00 0.00 0.00 174.94 173.60 2kvz s ILE 68 N 3.78 5.16 -0.11 2.92 1.01 -1.26 0.45 121.20 133.15 2kvz s ILE 68 Ca 0.31 0.63 0.03 0.00 0.00 0.00 0.00 60.65 61.63 2kvz s ILE 68 Cb -0.12 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.73 2kvz s ILE 68 CO 0.21 0.56 -0.23 -0.31 0.00 0.00 0.00 174.94 175.17 2kvz s TYR 69 N -1.10 2.54 0.00 3.97 2.02 0.14 -4.48 117.35 120.45 2kvz s TYR 69 Ca 0.22 -1.11 -0.18 0.00 -0.37 0.00 0.00 57.07 55.64 2kvz s TYR 69 Cb -0.15 -1.71 -0.06 0.00 -0.40 0.00 0.00 41.96 39.64 2kvz s TYR 69 CO 0.12 -0.47 0.50 -1.14 -1.57 0.00 0.00 175.55 172.99 2kvz s GLN 70 N 0.49 4.15 -0.20 -0.62 0.74 0.29 -4.02 119.66 120.49 2kvz s GLN 70 Ca -0.15 0.57 -0.29 0.00 0.05 0.00 0.00 55.36 55.54 2kvz s GLN 70 Cb -0.17 -3.28 -0.04 0.00 1.10 0.00 0.00 33.01 30.61 2kvz s GLN 70 CO 0.06 0.53 1.87 0.15 -0.55 0.00 0.00 175.29 177.35 2kvz s LYS 71 N -0.64 3.56 0.48 1.67 1.02 -1.26 -0.39 119.74 124.19 2kvz s LYS 71 Ca 0.27 1.86 0.28 0.00 0.02 0.00 0.00 55.97 58.39 2kvz s LYS 71 Cb -0.18 -4.18 1.04 0.00 -0.52 0.00 0.00 37.83 33.99 2kvz s LYS 71 CO 0.15 -1.59 1.87 0.87 -0.92 0.00 0.00 175.35 175.73 2kvz h LYS 72 N 12.37 0.00 -6.52 1.68 1.57 -1.85 -3.40 116.57 120.42 2kvz h LYS 72 Ca -0.38 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.83 2kvz h LYS 72 Cb 1.19 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.44 2kvz h LYS 72 CO 0.99 0.12 0.93 0.00 -0.57 0.00 0.00 179.45 180.92 2kvz s ALA 73 N -3.61 3.27 0.62 3.86 0.00 -1.26 -5.01 121.76 119.63 2kvz s ALA 73 Ca 0.01 -0.22 -0.16 0.00 0.00 0.00 0.00 51.96 51.59 2kvz s ALA 73 Cb 0.09 -3.82 -0.02 0.00 0.00 0.00 0.00 23.12 19.37 2kvz s ALA 73 CO 0.60 -1.98 1.12 -2.14 0.00 0.00 0.00 175.76 173.36 2kvz s PRO 74 N 4.26 2.97 0.62 0.00 0.02 -1.26 -4.77 135.00 136.83 2kvz s PRO 74 Ca 0.51 1.47 0.33 0.00 0.02 0.00 0.00 61.00 63.33 2kvz s PRO 74 Cb -0.11 -1.97 1.87 0.00 0.02 0.00 0.00 34.50 34.32 2kvz s PRO 74 CO 0.26 -1.13 2.16 1.49 -0.33 0.00 0.00 177.00 179.45 2kvz h GLU 75 N 0.41 0.00 -0.87 5.54 4.57 -1.95 0.48 114.58 122.76 2kvz h GLU 75 Ca -0.48 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 57.81 2kvz h GLU 75 Cb 1.25 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.78 2kvz h GLU 75 CO 0.55 0.00 0.56 1.96 -1.18 0.00 0.00 179.01 180.90 2kvz h GLN 76 N 0.00 0.76 0.00 1.92 1.08 -1.92 0.18 115.11 117.13 2kvz h GLN 76 Ca 0.04 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 2kvz h GLN 76 Cb 0.32 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.55 2kvz h GLN 76 CO -0.00 0.50 -2.09 0.00 -0.95 0.00 0.00 178.83 176.30 2kvz n ALA 77 N -2.42 2.14 -0.05 3.87 0.00 -0.04 -4.33 120.51 119.67 2kvz n ALA 77 Ca 0.15 -0.85 -0.08 0.00 0.00 0.00 0.00 53.44 52.67 2kvz n ALA 77 Cb 0.36 -0.41 0.09 0.00 0.00 0.00 0.00 19.45 19.50 2kvz n ALA 77 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2kvz h LEU 78 N 0.00 0.72 -8.77 0.00 5.85 -0.71 -3.40 115.31 109.00 2kvz h LEU 78 Ca -0.25 -0.28 -0.56 0.00 0.84 0.00 0.00 57.88 57.62 2kvz h LEU 78 Cb 1.52 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.32 2kvz h LEU 78 CO 0.01 0.97 1.22 -0.70 -0.34 0.00 0.00 178.44 179.61 2kvz s GLU 79 N -4.45 3.29 0.11 1.25 2.12 0.59 -4.88 118.70 116.73 2kvz s GLU 79 Ca -0.09 1.11 -0.18 0.00 0.36 0.00 0.00 54.97 56.18 2kvz s GLU 79 Cb 0.13 -4.17 -0.05 0.00 0.26 0.00 0.00 34.13 30.30 2kvz s GLU 79 CO 0.83 -1.91 1.67 0.45 -0.54 0.00 0.00 175.26 175.76 2kvz h HIS 80 N 12.48 0.44 -3.45 5.30 3.86 -1.89 -3.30 115.15 128.59 2kvz h HIS 80 Ca -0.30 -0.03 -0.71 0.00 -1.16 0.00 0.00 60.37 58.17 2kvz h HIS 80 Cb 1.15 -0.13 -0.32 0.00 1.06 0.00 0.00 27.41 29.16 2kvz h HIS 80 CO 0.98 0.42 -0.41 -1.01 0.86 0.00 0.00 177.93 178.77 2kvz s HIS 81 N -5.61 3.50 -0.06 2.45 3.76 -1.26 -5.06 115.29 113.00 2kvz s HIS 81 Ca -0.13 -2.27 -0.30 0.00 -0.15 0.00 0.00 55.06 52.21 2kvz s HIS 81 Cb 0.09 -3.35 -0.04 0.00 1.11 0.00 0.00 32.58 30.38 2kvz s HIS 81 CO 0.73 -0.95 1.38 -1.58 -0.85 0.00 0.00 174.74 173.46 2kvz s HIS 82 N 0.89 2.75 0.11 1.40 2.46 -1.25 -4.91 115.29 116.74 2kvz s HIS 82 Ca 0.10 0.82 -0.21 0.00 0.47 0.00 0.00 55.06 56.24 2kvz s HIS 82 Cb -0.23 -3.63 -0.09 0.00 -0.13 0.00 0.00 32.58 28.51 2kvz s HIS 82 CO -0.03 -2.31 1.76 0.45 -2.47 0.00 0.00 174.74 172.14 2kvz h HIS 83 N 8.18 0.16 -2.59 3.88 3.86 -1.97 -3.26 115.15 123.41 2kvz h HIS 83 Ca -0.34 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.18 2kvz h HIS 83 Cb 1.15 -0.05 -0.18 0.00 1.06 0.00 0.00 27.41 29.39 2kvz h HIS 83 CO 0.79 0.10 0.70 -1.01 0.86 0.00 0.00 177.93 179.37 2kvz s HIS 84 N -6.18 3.14 0.00 2.45 3.76 -1.26 -5.30 115.29 111.90 2kvz s HIS 84 Ca -0.13 -1.36 0.00 0.00 -0.15 0.00 0.00 55.06 53.42 2kvz s HIS 84 Cb 0.08 -4.22 0.00 0.00 1.11 0.00 0.00 32.58 29.55 2kvz s HIS 84 CO 0.68 -1.44 0.00 1.58 -0.85 0.00 0.00 174.74 174.71