#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 -1.58 -0.51 7.83 3.04 -2.09 -1.17 116.42 121.94 2kvz h ASP 2 Ca 0.00 0.17 -0.18 0.00 -3.24 0.00 0.00 57.03 53.78 2kvz h ASP 2 Cb 0.00 0.59 -0.11 0.00 -1.04 0.00 0.00 39.33 38.78 2kvz h ASP 2 CO 0.00 -0.51 0.23 0.49 -2.04 0.00 0.00 179.24 177.41 2kvz n PHE 3 N -5.33 1.67 -0.09 4.15 3.72 -1.26 -4.12 117.46 116.19 2kvz n PHE 3 Ca -0.07 -0.95 -0.09 0.00 -0.05 0.00 0.00 57.45 56.29 2kvz n PHE 3 Cb 0.38 -0.55 0.07 0.00 -0.94 0.00 0.00 39.48 38.45 2kvz n PHE 3 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2kvz h GLY 4 N 3.12 0.88 -4.35 1.37 0.00 -1.75 -3.49 103.07 98.85 2kvz h GLY 4 Ca 0.22 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2kvz h GLY 4 CO 0.53 0.70 -0.89 0.28 0.00 0.00 0.00 176.54 177.16 2kvz n LYS 5 N -4.10 -2.73 -2.00 4.80 5.02 -1.26 -5.04 118.16 112.85 2kvz n LYS 5 Ca -0.00 2.27 -0.29 0.00 -2.02 0.00 0.00 58.31 58.27 2kvz n LYS 5 Cb 0.45 -3.79 0.17 0.00 -0.02 0.00 0.00 35.03 31.85 2kvz n LYS 5 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kvz s PRO 6 N -0.91 0.82 -0.52 1.97 0.04 -1.26 -4.74 135.00 130.40 2kvz s PRO 6 Ca -0.11 -0.45 -0.09 0.00 0.04 0.00 0.00 61.00 60.39 2kvz s PRO 6 Cb 0.01 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.66 2kvz s PRO 6 CO 0.52 -2.27 0.61 0.09 0.04 0.00 0.00 177.00 175.99 2kvz n ASN 7 N -3.65 -7.59 -3.90 6.66 3.02 -1.26 -4.73 115.26 103.82 2kvz n ASN 7 Ca 0.15 0.29 -0.30 0.00 -0.03 0.00 0.00 54.58 54.68 2kvz n ASN 7 Cb 0.60 -5.14 -0.15 0.00 -0.61 0.00 0.00 39.78 34.48 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 -2.71 1.29 -0.05 3.52 -0.21 -1.26 -3.76 119.66 116.48 2kvz s GLN 8 Ca 0.14 -1.75 -0.22 0.00 0.02 0.00 0.00 55.36 53.55 2kvz s GLN 8 Cb -0.04 -2.77 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 2kvz s GLN 8 CO 0.72 -1.00 0.66 0.08 -2.12 0.00 0.00 175.29 173.64 2kvz s VAL 9 N 0.91 5.00 -0.47 1.09 1.01 0.24 -4.14 120.40 124.04 2kvz s VAL 9 Ca 0.12 1.37 -0.23 0.00 0.00 0.00 0.00 61.98 63.25 2kvz s VAL 9 Cb -0.20 -4.00 0.03 0.00 0.00 0.00 0.00 36.38 32.21 2kvz s VAL 9 CO -0.11 0.30 0.77 -0.89 0.00 0.00 0.00 175.10 175.17 2kvz s THR 10 N 0.49 4.66 -0.40 3.92 2.01 0.13 -0.02 115.64 126.44 2kvz s THR 10 Ca 0.35 0.29 -0.16 0.00 0.31 0.00 0.00 61.69 62.48 2kvz s THR 10 Cb -0.18 -4.33 0.01 0.00 0.01 0.00 0.00 72.50 68.01 2kvz s THR 10 CO 0.18 -0.76 0.39 -0.69 -0.69 0.00 0.00 174.62 173.05 2kvz s VAL 11 N 3.25 5.14 -0.30 3.82 1.01 0.01 -0.64 120.40 132.69 2kvz s VAL 11 Ca 0.28 -0.30 -0.11 0.00 0.00 0.00 0.00 61.98 61.85 2kvz s VAL 11 Cb -0.13 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 2kvz s VAL 11 CO 0.21 -0.32 0.18 0.20 0.00 0.00 0.00 175.10 175.37 2kvz s ASN 12 N 1.77 5.76 -0.71 3.32 0.01 -0.24 -2.19 114.94 122.66 2kvz s ASN 12 Ca 0.11 -0.31 -0.21 0.00 -0.71 0.00 0.00 52.86 51.73 2kvz s ASN 12 Cb -0.17 -2.06 0.08 0.00 0.41 0.00 0.00 41.25 39.51 2kvz s ASN 12 CO 0.13 -0.14 0.97 -0.31 -1.51 0.00 0.00 177.10 176.23 2kvz s TYR 13 N 1.68 2.79 -0.11 2.20 2.02 -1.26 -0.02 117.35 124.65 2kvz s TYR 13 Ca 0.06 -0.75 -0.13 0.00 -0.37 0.00 0.00 57.07 55.88 2kvz s TYR 13 Cb -0.17 -4.27 -0.05 0.00 -0.40 0.00 0.00 41.96 37.08 2kvz s TYR 13 CO 0.08 -1.59 0.30 -0.51 -1.57 0.00 0.00 175.55 172.27 2kvz s LEU 14 N 3.68 4.33 0.06 -1.29 1.43 0.76 -1.94 118.68 125.70 2kvz s LEU 14 Ca 0.23 0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 53.66 2kvz s LEU 14 Cb -0.15 -2.39 -0.18 0.00 0.03 0.00 0.00 46.19 43.50 2kvz s LEU 14 CO 0.06 0.21 1.54 -0.78 0.23 0.00 0.00 176.35 177.60 2kvz h ASP 15 N 5.86 -0.62 0.00 2.29 1.82 -0.79 0.96 116.42 125.95 2kvz h ASP 15 Ca -0.46 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.17 2kvz h ASP 15 Cb 1.19 0.16 0.00 0.00 0.68 0.00 0.00 39.33 41.36 2kvz h ASP 15 CO 0.69 -0.39 0.00 1.21 -1.61 0.00 0.00 179.24 179.14 2kvz n GLU 16 N -5.38 0.00 -0.36 0.28 0.00 -1.25 -3.39 120.64 110.55 2kvz n GLU 16 Ca -0.12 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.05 2kvz n GLU 16 Cb 0.32 0.00 0.15 0.00 0.00 0.00 0.00 31.44 31.90 2kvz n GLU 16 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2kvz n ASN 17 N 0.00 2.87 -0.56 4.31 3.02 -1.26 -4.83 115.26 118.82 2kvz n ASN 17 Ca 0.00 -2.39 -0.07 0.00 -0.03 0.00 0.00 54.58 52.09 2kvz n ASN 17 Cb 0.00 -0.58 -0.03 0.00 -0.61 0.00 0.00 39.78 38.56 2kvz n ASN 17 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2kvz n ASN 18 N 0.20 -4.85 -4.68 6.41 3.02 -1.26 -4.98 115.26 109.11 2kvz n ASN 18 Ca 0.12 0.18 -0.40 0.00 -0.03 0.00 0.00 54.58 54.45 2kvz n ASN 18 Cb 0.65 -2.99 -0.06 0.00 -0.61 0.00 0.00 39.78 36.78 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 -1.94 5.05 -0.49 3.41 2.01 -1.26 -4.85 115.64 117.57 2kvz s THR 19 Ca 0.00 1.22 -0.28 0.00 0.31 0.00 0.00 61.69 62.93 2kvz s THR 19 Cb 0.00 -3.95 0.02 0.00 0.01 0.00 0.00 72.50 68.58 2kvz s THR 19 CO 0.00 0.17 1.33 -0.55 -0.69 0.00 0.00 174.62 174.88 2kvz s SER 20 N 1.02 6.35 0.00 3.53 0.15 -1.26 -0.10 113.70 123.40 2kvz s SER 20 Ca 0.30 0.51 0.22 0.00 0.70 0.00 0.00 55.95 57.69 2kvz s SER 20 Cb -0.16 -2.55 0.02 0.00 -1.71 0.00 0.00 66.02 61.63 2kvz s SER 20 CO 0.12 -1.48 1.06 2.30 1.20 0.00 0.00 173.24 176.44 2kvz n ILE 21 N 6.93 0.02 -4.70 6.45 -5.35 -0.82 -4.87 119.36 117.02 2kvz n ILE 21 Ca 0.13 -0.04 -0.24 0.00 -0.27 0.00 0.00 62.75 62.34 2kvz n ILE 21 Cb 0.49 0.66 -0.16 0.00 -1.74 0.00 0.00 39.64 38.90 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 -3.03 1.29 -0.22 -1.28 0.00 -1.25 -5.09 121.76 112.18 2kvz s ALA 22 Ca 0.08 -0.61 -0.37 0.00 0.00 0.00 0.00 51.96 51.06 2kvz s ALA 22 Cb 0.16 -0.39 -0.13 0.00 0.00 0.00 0.00 23.12 22.76 2kvz s ALA 22 CO 0.81 0.27 1.88 -2.30 0.00 0.00 0.00 175.76 176.41 2kvz n PRO 23 N 2.97 1.54 -1.68 0.00 -0.02 -1.26 -4.29 135.00 132.27 2kvz n PRO 23 Ca -0.16 0.55 -0.52 0.00 -2.02 0.00 0.00 63.50 61.35 2kvz n PRO 23 Cb 0.54 -2.38 -0.06 0.00 -0.02 0.00 0.00 33.50 31.59 2kvz n PRO 23 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kvz n SER 24 N 6.64 2.83 -4.77 2.55 7.64 -1.26 -4.89 113.62 122.36 2kvz n SER 24 Ca 0.27 1.04 -0.26 0.00 1.01 0.00 0.00 58.87 60.93 2kvz n SER 24 Cb 0.21 -1.28 -0.06 0.00 -1.01 0.00 0.00 64.21 62.07 2kvz n SER 24 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2kvz s LEU 25 N 3.08 3.69 -0.48 -3.43 0.05 -0.93 -4.90 118.68 115.76 2kvz s LEU 25 Ca 0.92 -0.20 -0.16 0.00 0.05 0.00 0.00 54.13 54.75 2kvz s LEU 25 Cb -0.85 -2.30 0.08 0.00 -2.05 0.00 0.00 46.19 41.06 2kvz s LEU 25 CO 0.54 0.07 0.41 -0.31 -0.55 0.00 0.00 176.35 176.52 2kvz s TYR 26 N -1.75 3.24 -0.28 3.48 2.02 -1.26 -0.80 117.35 121.99 2kvz s TYR 26 Ca 0.30 -0.94 -0.29 0.00 -0.37 0.00 0.00 57.07 55.77 2kvz s TYR 26 Cb -0.10 -3.24 -0.01 0.00 -0.40 0.00 0.00 41.96 38.21 2kvz s TYR 26 CO 0.22 -0.83 1.48 -1.17 -1.57 0.00 0.00 175.55 173.69 2kvz s LEU 27 N 1.68 3.83 0.21 -1.29 2.96 0.97 -4.77 118.68 122.28 2kvz s LEU 27 Ca 0.04 1.36 0.11 0.00 -0.22 0.00 0.00 54.13 55.42 2kvz s LEU 27 Cb -0.25 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.86 2kvz s LEU 27 CO 0.07 -1.23 -0.22 -0.55 -1.32 0.00 0.00 176.35 173.10 2kvz s SER 28 N 3.74 3.34 0.00 3.68 0.15 -1.26 -0.60 113.70 122.76 2kvz s SER 28 Ca 0.65 -0.92 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2kvz s SER 28 Cb -0.20 -0.25 0.00 0.00 -1.71 0.00 0.00 66.02 63.86 2kvz s SER 28 CO 0.27 0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.39 2kvz n GLY 29 N -0.01 1.23 3.97 9.45 0.00 -1.25 -5.05 105.19 113.54 2kvz n GLY 29 Ca -0.10 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 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 4.27 0.26 0.99 1.43 -1.26 -4.76 118.68 119.61 2kvz s LEU 30 Ca 0.00 0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 52.90 2kvz s LEU 30 Cb 0.00 -2.90 -0.10 0.00 0.03 0.00 0.00 46.19 43.22 2kvz s LEU 30 CO 0.00 -0.11 1.44 0.12 0.23 0.00 0.00 176.35 178.03 2kvz s PHE 31 N -2.02 2.99 -0.57 0.29 5.36 -1.26 -2.10 117.98 120.67 2kvz s PHE 31 Ca 0.35 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 57.38 2kvz s PHE 31 Cb -0.09 -3.82 0.00 0.00 -0.34 0.00 0.00 43.02 38.76 2kvz s PHE 31 CO 0.30 -2.64 0.00 -1.71 -1.46 0.00 0.00 175.22 169.71 2kvz n ASN 32 N 2.12 -4.23 -4.67 6.13 5.15 -0.19 -4.93 115.26 114.65 2kvz n ASN 32 Ca 0.06 0.13 -0.40 0.00 -0.60 0.00 0.00 54.58 53.78 2kvz n ASN 32 Cb 0.40 -2.20 -0.06 0.00 -0.53 0.00 0.00 39.78 37.39 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 -1.98 4.23 -0.20 1.20 2.12 -0.89 -4.78 118.70 118.40 2kvz s GLU 33 Ca 0.00 0.58 -0.29 0.00 0.36 0.00 0.00 54.97 55.62 2kvz s GLU 33 Cb 0.00 -3.56 -0.01 0.00 0.26 0.00 0.00 34.13 30.83 2kvz s GLU 33 CO 0.00 -0.17 1.21 0.00 -0.54 0.00 0.00 175.26 175.76 2kvz s ALA 34 N 1.69 3.62 0.41 6.30 0.00 -1.26 -0.97 121.76 131.54 2kvz s ALA 34 Ca 0.28 0.33 0.08 0.00 0.00 0.00 0.00 51.96 52.65 2kvz s ALA 34 Cb -0.16 -3.63 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 2kvz s ALA 34 CO 0.11 -1.25 0.44 1.52 0.00 0.00 0.00 175.76 176.58 2kvz s TYR 35 N 3.57 2.78 -0.05 0.00 -0.85 -1.19 -5.01 117.35 116.60 2kvz s TYR 35 Ca 0.52 -0.43 0.02 0.00 -0.52 0.00 0.00 57.07 56.66 2kvz s TYR 35 Cb -0.19 -2.20 0.01 0.00 0.38 0.00 0.00 41.96 39.97 2kvz s TYR 35 CO 0.14 -0.18 -0.09 1.21 -1.52 0.00 0.00 175.55 175.11 2kvz s ASN 36 N -4.19 1.34 -0.13 -0.18 3.84 -1.26 -4.76 114.94 109.61 2kvz s ASN 36 Ca 0.50 -0.21 -0.29 0.00 0.21 0.00 0.00 52.86 53.06 2kvz s ASN 36 Cb -0.06 -0.58 -0.01 0.00 -0.55 0.00 0.00 41.25 40.05 2kvz s ASN 36 CO 0.30 0.01 1.10 0.68 -2.79 0.00 0.00 177.10 176.40 2kvz s VAL 37 N 0.65 4.54 -0.00 -5.21 -7.23 -1.26 -4.99 120.40 106.90 2kvz s VAL 37 Ca -0.11 1.84 -0.30 0.00 -1.81 0.00 0.00 61.98 61.60 2kvz s VAL 37 Cb -0.14 -4.19 -0.05 0.00 0.56 0.00 0.00 36.38 32.56 2kvz s VAL 37 CO 0.02 -0.06 1.40 -2.16 -0.31 0.00 0.00 175.10 174.00 2kvz s PRO 38 N 2.52 4.28 0.10 4.82 0.04 -1.26 -5.02 135.00 140.48 2kvz s PRO 38 Ca 0.50 1.97 0.06 0.00 0.04 0.00 0.00 61.00 63.58 2kvz s PRO 38 Cb -0.20 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 2kvz s PRO 38 CO 0.16 -0.58 -0.06 -1.64 0.04 0.00 0.00 177.00 174.92 2kvz s MET 39 N 2.41 2.27 0.01 4.56 -1.94 -1.26 -5.11 119.30 120.24 2kvz s MET 39 Ca 0.64 -0.97 0.06 0.00 -1.71 0.00 0.00 55.69 53.71 2kvz s MET 39 Cb -0.31 -2.38 -0.02 0.00 2.01 0.00 0.00 34.83 34.13 2kvz s MET 39 CO 0.26 0.52 -0.17 0.15 -0.01 0.00 0.00 175.02 175.77 2kvz s LYS 40 N -2.27 1.32 -0.80 2.03 1.02 -1.26 -5.09 119.74 114.69 2kvz s LYS 40 Ca 0.23 -0.71 -0.16 0.00 0.02 0.00 0.00 55.97 55.36 2kvz s LYS 40 Cb -0.11 -1.32 0.18 0.00 -0.52 0.00 0.00 37.83 36.06 2kvz s LYS 40 CO 0.15 0.35 0.81 0.21 -0.92 0.00 0.00 175.35 175.96 2kvz s LYS 41 N -0.69 3.50 -0.24 1.68 2.20 -1.26 -4.95 119.74 119.97 2kvz s LYS 41 Ca 0.06 -2.14 -0.09 0.00 -0.36 0.00 0.00 55.97 53.45 2kvz s LYS 41 Cb -0.07 -4.51 -0.04 0.00 -1.51 0.00 0.00 37.83 31.70 2kvz s LYS 41 CO 0.00 -1.42 0.11 0.42 -0.36 0.00 0.00 175.35 174.10 2kvz s ILE 42 N 1.07 4.82 -1.77 5.43 1.01 -1.26 -4.52 121.20 125.97 2kvz s ILE 42 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.84 2kvz s ILE 42 Cb -0.12 -3.25 0.00 0.00 0.01 0.00 0.00 42.46 39.10 2kvz s ILE 42 CO -0.07 0.34 0.00 0.29 0.00 0.00 0.00 174.94 175.50 2kvz n LYS 43 N 4.60 -1.70 -2.90 2.79 5.02 -1.26 -1.83 118.16 122.88 2kvz n LYS 43 Ca -0.15 1.00 -0.10 0.00 -2.02 0.00 0.00 58.31 57.03 2kvz n LYS 43 Cb 0.52 -5.66 0.04 0.00 -0.02 0.00 0.00 35.03 29.91 2kvz n LYS 43 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kvz n GLY 44 N -0.99 0.13 3.97 0.72 0.00 -1.26 -4.96 105.19 102.80 2kvz n GLY 44 Ca -0.24 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.17 3.24 -0.00 1.61 2.02 -0.76 -3.88 117.35 116.40 2kvz s TYR 45 Ca 0.17 0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.94 2kvz s TYR 45 Cb -0.07 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 2kvz s TYR 45 CO 0.37 -0.13 0.00 0.99 -1.57 0.00 0.00 175.55 175.21 2kvz s THR 46 N -2.36 0.01 -0.02 -0.71 2.01 -0.51 -4.66 115.64 109.41 2kvz s THR 46 Ca 0.45 0.02 -0.37 0.00 0.31 0.00 0.00 61.69 62.10 2kvz s THR 46 Cb -0.10 -0.04 -0.15 0.00 0.01 0.00 0.00 72.50 72.23 2kvz s THR 46 CO 0.35 0.02 1.58 -0.11 -0.69 0.00 0.00 174.62 175.77 2kvz n LEU 47 N 3.23 2.44 0.15 4.42 7.94 -1.26 0.14 117.00 134.06 2kvz n LEU 47 Ca -0.14 1.08 -0.09 0.00 -1.11 0.00 0.00 56.01 55.74 2kvz n LEU 47 Cb 0.59 -1.26 -0.05 0.00 0.53 0.00 0.00 43.42 43.23 2kvz n LEU 47 CO 0.25 -0.56 0.27 0.25 -1.11 0.00 0.00 177.39 176.49 2kvz h LEU 48 N 6.30 -0.39 0.00 -1.96 5.85 -1.33 -3.43 115.31 120.35 2kvz h LEU 48 Ca -0.47 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.18 2kvz h LEU 48 Cb 1.30 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2kvz h LEU 48 CO 0.88 0.06 0.00 1.17 -0.34 0.00 0.00 178.44 180.21 2kvz n LYS 49 N -5.09 0.00 -2.53 1.25 4.81 -1.20 -5.02 118.16 110.38 2kvz n LYS 49 Ca -0.07 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.15 2kvz n LYS 49 Cb 0.23 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.33 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 -0.84 2.67 0.18 5.64 -0.85 -1.26 -4.32 117.35 118.57 2kvz s TYR 50 Ca 0.00 0.05 -0.21 0.00 -0.52 0.00 0.00 57.07 56.39 2kvz s TYR 50 Cb 0.00 -2.89 0.10 0.00 0.38 0.00 0.00 41.96 39.55 2kvz s TYR 50 CO 0.00 -1.13 1.60 -0.44 -1.52 0.00 0.00 175.55 174.06 2kvz h ASP 51 N -0.17 -1.05 0.00 -0.18 3.32 -1.99 -3.44 116.42 112.91 2kvz h ASP 51 Ca -0.42 0.20 0.00 0.00 0.02 0.00 0.00 57.03 56.84 2kvz h ASP 51 Cb 1.30 0.52 0.00 0.00 0.22 0.00 0.00 39.33 41.36 2kvz h ASP 51 CO 0.52 -0.30 0.00 -1.54 -1.72 0.00 0.00 179.24 176.20 2kvz n SER 52 N -5.42 0.00 -4.09 6.45 3.41 -1.26 -5.16 113.62 107.55 2kvz n SER 52 Ca 0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.54 2kvz n SER 52 Cb 0.34 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.20 2kvz n SER 52 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2kvz s GLU 53 N 0.00 0.98 -0.17 4.33 2.02 -1.26 -5.04 118.70 119.55 2kvz s GLU 53 Ca 0.00 -1.34 0.16 0.00 0.02 0.00 0.00 54.97 53.80 2kvz s GLU 53 Cb 0.00 0.28 0.61 0.00 0.10 0.00 0.00 34.13 35.12 2kvz s GLU 53 CO 0.00 -0.30 1.52 0.44 0.02 0.00 0.00 175.26 176.93 2kvz n ILE 54 N -0.12 2.28 -2.68 -1.63 -5.35 -1.26 -4.85 119.36 105.74 2kvz n ILE 54 Ca -0.06 -1.63 -0.43 0.00 -0.27 0.00 0.00 62.75 60.36 2kvz n ILE 54 Cb 0.63 -0.17 -0.01 0.00 -1.74 0.00 0.00 39.64 38.36 2kvz n ILE 54 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2kvz s LEU 55 N -2.58 4.13 0.30 7.28 1.43 -1.26 -4.86 118.68 123.12 2kvz s LEU 55 Ca 0.45 -2.37 -0.07 0.00 -1.03 0.00 0.00 54.13 51.11 2kvz s LEU 55 Cb 0.34 -2.53 -0.00 0.00 0.03 0.00 0.00 46.19 44.04 2kvz s LEU 55 CO 0.13 -1.13 0.46 -0.83 0.23 0.00 0.00 176.35 175.21 2kvz s GLY 56 N 4.01 1.07 0.22 -3.19 0.00 -1.26 -5.13 107.32 103.04 2kvz s GLY 56 Ca 0.49 -1.25 0.10 0.00 0.00 0.00 0.00 44.72 44.05 2kvz s GLY 56 CO 0.02 -0.86 -0.19 -1.34 0.00 0.00 0.00 173.10 170.73 2kvz s VAL 57 N -3.47 2.13 0.20 1.40 -7.23 -1.26 -3.19 120.40 108.97 2kvz s VAL 57 Ca 0.27 -2.19 -0.31 0.00 -1.81 0.00 0.00 61.98 57.95 2kvz s VAL 57 Cb -0.00 -2.10 -0.10 0.00 0.56 0.00 0.00 36.38 34.73 2kvz s VAL 57 CO 0.15 -0.38 1.54 -0.36 -0.31 0.00 0.00 175.10 175.74 2kvz s PHE 58 N -2.37 3.03 0.36 2.82 0.08 -0.15 -4.82 117.98 116.93 2kvz s PHE 58 Ca 0.23 0.74 0.04 0.00 0.12 0.00 0.00 56.93 58.06 2kvz s PHE 58 Cb -0.05 -3.91 -0.03 0.00 -0.57 0.00 0.00 43.02 38.46 2kvz s PHE 58 CO 0.10 -3.24 0.13 0.95 -0.10 0.00 0.00 175.22 173.06 2kvz s THR 59 N 0.76 0.61 -1.37 0.64 -4.23 -1.26 -1.02 115.64 109.76 2kvz s THR 59 Ca 0.67 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.44 2kvz s THR 59 Cb -0.44 -2.47 0.43 0.00 1.34 0.00 0.00 72.50 71.36 2kvz s THR 59 CO 0.36 0.00 1.90 -0.62 -0.54 0.00 0.00 174.62 175.71 2kvz n GLU 60 N -0.77 0.33 -3.21 3.99 1.02 -1.26 -4.31 120.64 116.43 2kvz n GLU 60 Ca -0.03 0.04 -0.39 0.00 -0.02 0.00 0.00 57.16 56.76 2kvz n GLU 60 Cb 0.65 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.52 2kvz n GLU 60 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kvz s SER 61 N -2.63 6.79 -0.39 1.62 0.01 -1.26 -4.79 113.70 113.05 2kvz s SER 61 Ca 0.24 0.94 -0.27 0.00 1.31 0.00 0.00 55.95 58.16 2kvz s SER 61 Cb 0.18 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 64.03 2kvz s SER 61 CO 0.41 -0.06 2.19 -2.84 0.41 0.00 0.00 173.24 173.35 2kvz s PRO 62 N 0.77 2.70 0.23 12.44 0.02 -1.26 -4.83 135.00 145.08 2kvz s PRO 62 Ca 0.30 1.53 -0.19 0.00 0.02 0.00 0.00 61.00 62.66 2kvz s PRO 62 Cb -0.16 -4.43 -0.08 0.00 0.02 0.00 0.00 34.50 29.85 2kvz s PRO 62 CO 0.13 -2.60 0.72 -0.65 -0.33 0.00 0.00 177.00 174.27 2kvz s GLN 63 N 7.06 4.20 -0.29 5.54 -0.21 -1.26 -4.91 119.66 129.80 2kvz s GLN 63 Ca 0.92 0.83 0.02 0.00 0.02 0.00 0.00 55.36 57.15 2kvz s GLN 63 Cb -0.23 -2.81 0.07 0.00 1.00 0.00 0.00 33.01 31.04 2kvz s GLN 63 CO 0.30 0.36 -0.05 0.99 -2.12 0.00 0.00 175.29 174.77 2kvz s THR 64 N -1.59 2.38 -0.45 -0.19 2.01 -1.26 0.22 115.64 116.77 2kvz s THR 64 Ca 0.44 -1.75 -0.09 0.00 0.31 0.00 0.00 61.69 60.60 2kvz s THR 64 Cb -0.16 -2.48 0.10 0.00 0.01 0.00 0.00 72.50 69.98 2kvz s THR 64 CO 0.20 -0.18 0.31 -0.63 -0.69 0.00 0.00 174.62 173.63 2kvz s ILE 65 N 1.09 4.26 -0.79 1.82 1.01 0.18 -4.99 121.20 123.78 2kvz s ILE 65 Ca -0.04 -1.59 -0.22 0.00 0.00 0.00 0.00 60.65 58.80 2kvz s ILE 65 Cb -0.20 -3.71 0.08 0.00 0.01 0.00 0.00 42.46 38.64 2kvz s ILE 65 CO -0.05 -0.65 1.12 0.20 0.00 0.00 0.00 174.94 175.56 2kvz s ASN 66 N 2.44 6.33 -0.86 3.58 0.01 -1.26 -1.08 114.94 124.09 2kvz s ASN 66 Ca 0.04 -1.24 -0.25 0.00 -0.71 0.00 0.00 52.86 50.71 2kvz s ASN 66 Cb -0.25 -2.46 0.04 0.00 0.41 0.00 0.00 41.25 39.00 2kvz s ASN 66 CO 0.01 -1.42 1.35 -0.63 -1.51 0.00 0.00 177.10 174.90 2kvz s ILE 67 N 4.09 3.83 -0.37 0.60 -1.09 0.97 -4.57 121.20 124.66 2kvz s ILE 67 Ca 0.30 -0.14 -0.17 0.00 -2.23 0.00 0.00 60.65 58.41 2kvz s ILE 67 Cb -0.10 -4.98 0.00 0.00 -1.58 0.00 0.00 42.46 35.80 2kvz s ILE 67 CO 0.03 -1.89 0.45 -0.63 -1.23 0.00 0.00 174.94 171.68 2kvz s ILE 68 N 5.35 5.07 0.59 2.92 1.01 -1.26 -0.17 121.20 134.71 2kvz s ILE 68 Ca 0.40 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 61.03 2kvz s ILE 68 Cb -0.05 -3.95 0.13 0.00 0.01 0.00 0.00 42.46 38.60 2kvz s ILE 68 CO 0.04 -0.25 0.81 -1.22 0.00 0.00 0.00 174.94 174.31 2kvz n TYR 69 N 5.62 -3.54 -3.72 3.97 4.01 0.33 -1.24 117.16 122.59 2kvz n TYR 69 Ca -0.07 -1.01 -0.14 0.00 -0.16 0.00 0.00 57.90 56.52 2kvz n TYR 69 Cb 0.49 -0.61 -0.15 0.00 -0.31 0.00 0.00 39.34 38.76 2kvz n TYR 69 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 2kvz s GLN 70 N -4.65 0.09 0.10 -0.72 0.74 0.12 -3.79 119.66 111.55 2kvz s GLN 70 Ca 0.49 0.45 -0.31 0.00 0.05 0.00 0.00 55.36 56.04 2kvz s GLN 70 Cb -0.02 -0.20 -0.09 0.00 1.10 0.00 0.00 33.01 33.80 2kvz s GLN 70 CO 0.34 -0.21 1.73 0.21 -0.55 0.00 0.00 175.29 176.81 2kvz s LYS 71 N 1.52 4.17 0.00 1.67 2.20 -1.26 -1.42 119.74 126.61 2kvz s LYS 71 Ca -0.06 2.46 0.15 0.00 -0.36 0.00 0.00 55.97 58.16 2kvz s LYS 71 Cb -0.12 -3.57 0.83 0.00 -1.51 0.00 0.00 37.83 33.47 2kvz s LYS 71 CO -0.06 -0.78 1.36 1.63 -0.36 0.00 0.00 175.35 177.14 2kvz n LYS 72 N 5.56 0.36 -3.20 4.03 5.02 -1.25 -4.90 118.16 123.77 2kvz n LYS 72 Ca 0.17 0.07 -0.23 0.00 -2.02 0.00 0.00 58.31 56.29 2kvz n LYS 72 Cb 0.39 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.93 2kvz n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kvz n ALA 73 N -1.13 -2.65 -1.75 7.82 0.00 -1.26 -4.74 120.51 116.80 2kvz n ALA 73 Ca 0.09 0.72 -0.27 0.00 0.00 0.00 0.00 53.44 53.98 2kvz n ALA 73 Cb 0.08 -2.93 -0.05 0.00 0.00 0.00 0.00 19.45 16.55 2kvz n ALA 73 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2kvz s PRO 74 N -2.60 2.11 0.28 0.00 0.02 -1.26 -4.94 135.00 128.61 2kvz s PRO 74 Ca 0.30 0.59 -0.29 0.00 0.02 0.00 0.00 61.00 61.62 2kvz s PRO 74 Cb -0.05 -4.72 -0.10 0.00 0.02 0.00 0.00 34.50 29.65 2kvz s PRO 74 CO 0.82 -3.62 1.13 -1.21 -0.33 0.00 0.00 177.00 173.80 2kvz s GLU 75 N 8.01 4.59 0.03 5.54 2.02 -1.26 -4.92 118.70 132.71 2kvz s GLU 75 Ca 0.85 1.86 0.28 0.00 0.02 0.00 0.00 54.97 57.98 2kvz s GLU 75 Cb -0.13 -3.18 1.09 0.00 0.10 0.00 0.00 34.13 32.02 2kvz s GLU 75 CO 0.13 0.14 1.85 1.04 0.02 0.00 0.00 175.26 178.44 2kvz n GLN 76 N 1.24 0.05 0.24 1.61 6.02 -1.26 -2.24 117.38 123.03 2kvz n GLN 76 Ca -0.01 0.03 0.12 0.00 -0.01 0.00 0.00 57.00 57.14 2kvz n GLN 76 Cb 0.44 -1.55 0.58 0.00 1.02 0.00 0.00 30.24 30.73 2kvz n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kvz h ALA 77 N 2.92 1.08 -2.32 -1.58 0.00 -2.01 -3.43 119.26 113.92 2kvz h ALA 77 Ca 0.00 -0.15 -0.54 0.00 0.00 0.00 0.00 54.91 54.22 2kvz h ALA 77 Cb 0.54 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.23 2kvz h ALA 77 CO 0.00 0.20 -0.58 -0.51 0.00 0.00 0.00 179.25 178.36 2kvz s LEU 78 N -6.79 3.55 0.00 0.00 1.43 -0.95 -5.14 118.68 110.77 2kvz s LEU 78 Ca -0.00 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2kvz s LEU 78 Cb 0.11 -2.10 0.00 0.00 0.03 0.00 0.00 46.19 44.23 2kvz s LEU 78 CO 0.60 -0.00 0.02 -0.62 0.23 0.00 0.00 176.35 176.58 2kvz n GLU 79 N -0.90 0.80 -2.89 1.70 1.02 -1.26 -4.79 120.64 114.33 2kvz n GLU 79 Ca -0.08 -3.58 -0.18 0.00 -0.02 0.00 0.00 57.16 53.29 2kvz n GLU 79 Cb 0.58 0.93 0.03 0.00 -0.02 0.00 0.00 31.44 32.96 2kvz n GLU 79 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kvz n HIS 80 N -1.25 -1.63 0.07 -0.32 8.25 -1.26 -4.87 115.22 114.21 2kvz n HIS 80 Ca -0.20 0.43 -0.08 0.00 -0.26 0.00 0.00 57.72 57.62 2kvz n HIS 80 Cb 0.62 -3.90 0.04 0.00 1.12 0.00 0.00 29.99 27.87 2kvz n HIS 80 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2kvz h HIS 81 N -1.16 0.38 -3.73 4.41 3.86 -1.96 -3.37 115.15 113.58 2kvz h HIS 81 Ca -0.44 -0.18 -0.68 0.00 -1.16 0.00 0.00 60.37 57.92 2kvz h HIS 81 Cb 1.30 -0.05 -0.34 0.00 1.06 0.00 0.00 27.41 29.38 2kvz h HIS 81 CO 0.43 0.93 -0.73 -1.01 0.86 0.00 0.00 177.93 178.41 2kvz s HIS 82 N -3.49 3.22 0.26 2.45 3.76 -1.26 -5.00 115.29 115.22 2kvz s HIS 82 Ca -0.04 -1.91 -0.02 0.00 -0.15 0.00 0.00 55.06 52.94 2kvz s HIS 82 Cb 0.11 -2.06 0.33 0.00 1.11 0.00 0.00 32.58 32.07 2kvz s HIS 82 CO 0.82 -0.81 1.77 0.45 -0.85 0.00 0.00 174.74 176.13 2kvz h HIS 83 N 7.95 0.87 -3.48 1.40 -0.00 -1.99 -3.33 115.15 116.57 2kvz h HIS 83 Ca -0.23 -0.11 -0.73 0.00 -0.00 0.00 0.00 60.37 59.30 2kvz h HIS 83 Cb 1.07 -0.24 -0.30 0.00 -0.00 0.00 0.00 27.41 27.93 2kvz h HIS 83 CO 0.61 0.78 -0.28 -1.58 -0.00 0.00 0.00 177.93 177.46 2kvz s HIS 84 N -5.06 3.50 -2.25 2.45 2.46 -1.26 -5.06 115.29 110.05 2kvz s HIS 84 Ca -0.10 -2.15 0.30 0.00 0.47 0.00 0.00 55.06 53.58 2kvz s HIS 84 Cb 0.15 -3.48 1.47 0.00 -0.13 0.00 0.00 32.58 30.59 2kvz s HIS 84 CO 0.81 -0.95 1.98 1.58 -2.47 0.00 0.00 174.74 175.70