#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 -7.37 -3.73 7.83 8.00 -1.26 -5.07 116.55 114.95 2kvz n ASP 2 Ca 0.00 0.45 -0.12 0.00 0.71 0.00 0.00 54.79 55.83 2kvz n ASP 2 Cb 0.00 -4.97 -0.11 0.00 -0.02 0.00 0.00 41.12 36.03 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 -2.49 -0.46 0.00 1.24 5.36 -1.26 -5.08 117.98 115.30 2kvz s PHE 3 Ca 0.21 1.06 0.00 0.00 -0.96 0.00 0.00 56.93 57.24 2kvz s PHE 3 Cb -0.06 0.17 0.00 0.00 -0.34 0.00 0.00 43.02 42.79 2kvz s PHE 3 CO 0.69 -0.24 0.00 0.41 -1.46 0.00 0.00 175.22 174.62 2kvz n GLY 4 N 3.32 1.62 3.79 13.12 0.00 -1.26 -4.86 105.19 120.92 2kvz n GLY 4 Ca -0.16 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2kvz n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvz s LYS 5 N 0.00 0.69 -0.57 1.61 -2.85 -1.26 -5.08 119.74 112.28 2kvz s LYS 5 Ca 0.00 -0.42 -0.26 0.00 -1.00 0.00 0.00 55.97 54.29 2kvz s LYS 5 Cb 0.00 0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 2kvz s LYS 5 CO 0.00 -0.32 2.11 -2.14 0.10 0.00 0.00 175.35 175.10 2kvz s PRO 6 N -2.40 2.37 0.40 1.78 0.02 -1.26 -4.56 135.00 131.36 2kvz s PRO 6 Ca 0.19 0.92 -0.21 0.00 0.02 0.00 0.00 61.00 61.92 2kvz s PRO 6 Cb 0.01 -4.50 -0.11 0.00 0.02 0.00 0.00 34.50 29.93 2kvz s PRO 6 CO -0.00 -3.03 0.92 -0.80 -0.33 0.00 0.00 177.00 173.76 2kvz s ASN 7 N 9.91 6.96 -0.21 2.53 0.01 -0.65 -4.63 114.94 128.87 2kvz s ASN 7 Ca 0.81 1.66 0.00 0.00 -0.71 0.00 0.00 52.86 54.62 2kvz s ASN 7 Cb -0.14 -2.52 0.02 0.00 0.41 0.00 0.00 41.25 39.02 2kvz s ASN 7 CO 0.22 -0.31 -0.15 -1.58 -1.51 0.00 0.00 177.10 173.77 2kvz s GLN 8 N -3.02 2.89 -0.40 -0.60 0.74 -1.26 -0.23 119.66 117.77 2kvz s GLN 8 Ca 0.60 -0.91 -0.14 0.00 0.05 0.00 0.00 55.36 54.96 2kvz s GLN 8 Cb -0.10 -2.73 0.03 0.00 1.10 0.00 0.00 33.01 31.30 2kvz s GLN 8 CO 0.15 -0.30 0.27 0.08 -0.55 0.00 0.00 175.29 174.95 2kvz s VAL 9 N 1.28 5.03 -0.39 1.34 1.01 0.30 -2.97 120.40 125.99 2kvz s VAL 9 Ca 0.02 -0.76 -0.22 0.00 0.00 0.00 0.00 61.98 61.02 2kvz s VAL 9 Cb -0.15 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.43 2kvz s VAL 9 CO -0.09 -0.30 0.72 -0.89 0.00 0.00 0.00 175.10 174.53 2kvz s THR 10 N 1.63 4.77 -0.40 3.92 2.01 0.20 -0.13 115.64 127.64 2kvz s THR 10 Ca 0.04 0.56 -0.20 0.00 0.31 0.00 0.00 61.69 62.40 2kvz s THR 10 Cb -0.19 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.13 2kvz s THR 10 CO 0.09 -0.49 0.61 -0.69 -0.69 0.00 0.00 174.62 173.45 2kvz s VAL 11 N 2.99 4.88 -0.35 3.82 1.01 0.15 -1.01 120.40 131.89 2kvz s VAL 11 Ca 0.28 0.26 -0.11 0.00 0.00 0.00 0.00 61.98 62.40 2kvz s VAL 11 Cb -0.13 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2kvz s VAL 11 CO 0.18 -0.46 0.20 0.20 0.00 0.00 0.00 175.10 175.23 2kvz s ASN 12 N 1.90 5.77 -0.70 3.32 -0.87 -0.11 -0.14 114.94 124.11 2kvz s ASN 12 Ca 0.22 -0.68 -0.26 0.00 -1.57 0.00 0.00 52.86 50.57 2kvz s ASN 12 Cb -0.14 -2.05 0.04 0.00 -0.02 0.00 0.00 41.25 39.07 2kvz s ASN 12 CO 0.17 -0.29 1.18 -0.31 -2.57 0.00 0.00 177.10 175.28 2kvz s TYR 13 N 1.63 2.42 0.49 2.20 2.02 -1.26 -1.01 117.35 123.84 2kvz s TYR 13 Ca 0.04 -0.15 0.07 0.00 -0.37 0.00 0.00 57.07 56.66 2kvz s TYR 13 Cb -0.18 -4.52 0.09 0.00 -0.40 0.00 0.00 41.96 36.95 2kvz s TYR 13 CO 0.08 -1.92 0.68 1.28 -1.57 0.00 0.00 175.55 174.10 2kvz n LEU 14 N 8.83 0.00 -4.55 -1.29 4.77 0.15 -1.85 117.00 123.05 2kvz n LEU 14 Ca 0.01 -2.02 -0.27 0.00 -0.03 0.00 0.00 56.01 53.71 2kvz n LEU 14 Cb 0.48 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 2kvz n LEU 14 CO 0.69 -0.71 -0.20 -0.62 -1.33 0.00 0.00 177.39 175.22 2kvz s ASP 15 N -4.02 3.00 0.35 -1.43 2.15 -1.01 -0.88 116.67 114.84 2kvz s ASP 15 Ca 0.51 -1.67 0.06 0.00 0.43 0.00 0.00 52.55 51.88 2kvz s ASP 15 Cb -0.04 0.49 0.67 0.00 -0.30 0.00 0.00 42.92 43.74 2kvz s ASP 15 CO 0.32 -0.91 1.90 -0.08 -0.17 0.00 0.00 175.17 176.24 2kvz h GLU 16 N 1.73 0.47 -0.10 4.34 4.81 -1.85 0.20 114.58 124.18 2kvz h GLU 16 Ca -0.37 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 2kvz h GLU 16 Cb 1.28 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.59 2kvz h GLU 16 CO 0.60 0.50 0.00 0.09 -0.73 0.00 0.00 179.01 179.46 2kvz n ASN 17 N -4.30 0.94 -1.01 1.04 3.02 -1.26 -4.89 115.26 108.80 2kvz n ASN 17 Ca 0.01 -1.61 -0.13 0.00 -0.03 0.00 0.00 54.58 52.82 2kvz n ASN 17 Cb 0.23 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.28 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 -0.15 -5.27 -4.73 6.41 3.02 0.71 -4.96 115.26 110.29 2kvz n ASN 18 Ca 0.15 0.33 -0.40 0.00 -0.03 0.00 0.00 54.58 54.62 2kvz n ASN 18 Cb 0.21 -3.93 -0.04 0.00 -0.61 0.00 0.00 39.78 35.41 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 -2.26 4.77 -0.40 3.41 2.01 -1.26 -4.42 115.64 117.49 2kvz s THR 19 Ca 0.00 1.76 -0.27 0.00 0.31 0.00 0.00 61.69 63.49 2kvz s THR 19 Cb 0.00 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.29 2kvz s THR 19 CO 0.00 0.30 2.04 -0.44 -0.69 0.00 0.00 174.62 175.83 2kvz s SER 20 N 0.31 5.33 0.30 3.53 0.01 -1.26 -2.41 113.70 119.52 2kvz s SER 20 Ca 0.42 1.17 0.24 0.00 1.31 0.00 0.00 55.95 59.10 2kvz s SER 20 Cb -0.21 -2.52 0.51 0.00 0.21 0.00 0.00 66.02 64.02 2kvz s SER 20 CO 0.24 -2.17 1.62 0.16 0.41 0.00 0.00 173.24 173.50 2kvz h ILE 21 N 7.10 0.00 -3.93 1.44 3.07 -1.63 -3.44 117.51 120.12 2kvz h ILE 21 Ca -0.31 -0.74 -0.32 0.00 1.55 0.00 0.00 64.86 65.03 2kvz h ILE 21 Cb 1.20 1.68 -0.27 0.00 -0.27 0.00 0.00 36.82 39.16 2kvz h ILE 21 CO 1.08 0.00 -0.75 0.00 -1.05 0.00 0.00 178.15 177.43 2kvz s ALA 22 N -3.17 0.50 0.31 0.16 0.00 -1.23 -5.11 121.76 113.21 2kvz s ALA 22 Ca 0.08 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.39 2kvz s ALA 22 Cb 0.09 -0.09 -0.13 0.00 0.00 0.00 0.00 23.12 23.00 2kvz s ALA 22 CO 0.65 0.09 1.29 -0.35 0.00 0.00 0.00 175.76 177.44 2kvz n PRO 23 N 2.61 2.01 -1.70 0.00 -0.04 -1.26 -4.18 135.00 132.43 2kvz n PRO 23 Ca -0.15 0.71 -0.43 0.00 -0.04 0.00 0.00 63.50 63.58 2kvz n PRO 23 Cb 0.57 -2.28 -0.03 0.00 -0.04 0.00 0.00 33.50 31.72 2kvz n PRO 23 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kvz n SER 24 N 1.22 3.82 -4.63 3.54 3.41 -1.26 -4.75 113.62 114.97 2kvz n SER 24 Ca 0.07 1.04 -0.41 0.00 -0.26 0.00 0.00 58.87 59.31 2kvz n SER 24 Cb 0.34 -1.53 -0.06 0.00 -0.26 0.00 0.00 64.21 62.70 2kvz n SER 24 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2kvz s LEU 25 N 1.74 4.08 -0.82 1.04 2.96 0.80 -4.87 118.68 123.61 2kvz s LEU 25 Ca 0.79 0.75 -0.19 0.00 -0.22 0.00 0.00 54.13 55.27 2kvz s LEU 25 Cb -0.54 -2.89 0.13 0.00 0.50 0.00 0.00 46.19 43.40 2kvz s LEU 25 CO 0.36 -0.37 0.98 -0.31 -1.32 0.00 0.00 176.35 175.69 2kvz s TYR 26 N 2.44 3.13 -1.31 5.38 2.02 -1.26 0.30 117.35 128.05 2kvz s TYR 26 Ca 0.27 -1.29 -0.14 0.00 -0.37 0.00 0.00 57.07 55.54 2kvz s TYR 26 Cb -0.16 -4.17 0.11 0.00 -0.40 0.00 0.00 41.96 37.34 2kvz s TYR 26 CO 0.09 -1.41 1.81 -0.11 -1.57 0.00 0.00 175.55 174.36 2kvz n LEU 27 N 6.30 5.85 -4.84 -1.29 7.94 0.82 -4.89 117.00 126.89 2kvz n LEU 27 Ca 0.13 -4.27 -0.37 0.00 -1.11 0.00 0.00 56.01 50.39 2kvz n LEU 27 Cb 0.47 -1.63 -0.06 0.00 0.53 0.00 0.00 43.42 42.72 2kvz n LEU 27 CO 0.51 0.80 -0.14 -0.94 -1.11 0.00 0.00 177.39 176.51 2kvz s SER 28 N 2.87 6.39 0.00 1.96 1.04 -1.26 -0.54 113.70 124.17 2kvz s SER 28 Ca 0.46 0.46 0.00 0.00 0.48 0.00 0.00 55.95 57.36 2kvz s SER 28 Cb 0.06 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 64.08 2kvz s SER 28 CO 0.00 0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2kvz n GLY 29 N 2.34 1.60 0.00 7.32 0.00 0.69 -4.93 105.19 112.20 2kvz n GLY 29 Ca -0.18 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2kvz n GLY 29 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kvz n LEU 30 N 0.00 0.00 -4.06 0.99 4.77 -1.26 -1.64 117.00 115.80 2kvz n LEU 30 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 2kvz n LEU 30 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2kvz n LEU 30 CO 0.00 -0.44 -0.45 0.12 -1.33 0.00 0.00 177.39 175.30 2kvz s PHE 31 N -0.51 0.96 -0.57 -1.77 5.36 -1.26 -3.71 117.98 116.47 2kvz s PHE 31 Ca 0.00 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.76 2kvz s PHE 31 Cb 0.00 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 42.07 2kvz s PHE 31 CO 0.00 -0.01 0.00 -1.71 -1.46 0.00 0.00 175.22 172.04 2kvz n ASN 32 N 2.66 -4.93 -4.84 6.13 5.15 -0.32 -4.91 115.26 114.19 2kvz n ASN 32 Ca -0.14 0.13 -0.34 0.00 -0.60 0.00 0.00 54.58 53.63 2kvz n ASN 32 Cb 0.56 -2.91 -0.06 0.00 -0.53 0.00 0.00 39.78 36.85 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 -2.06 3.28 -0.29 1.20 2.56 -1.26 -4.78 118.70 117.34 2kvz s GLU 33 Ca 0.00 -0.36 -0.26 0.00 0.00 0.00 0.00 54.97 54.35 2kvz s GLU 33 Cb 0.00 -3.01 0.01 0.00 2.00 0.00 0.00 34.13 33.13 2kvz s GLU 33 CO 0.00 0.68 0.94 0.00 -0.56 0.00 0.00 175.26 176.32 2kvz s ALA 34 N -1.21 3.57 0.59 6.30 0.00 -1.26 -0.79 121.76 128.96 2kvz s ALA 34 Ca 0.23 -0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.08 2kvz s ALA 34 Cb -0.12 -3.47 0.07 0.00 0.00 0.00 0.00 23.12 19.60 2kvz s ALA 34 CO 0.14 -1.23 0.82 1.52 0.00 0.00 0.00 175.76 177.01 2kvz s TYR 35 N 3.22 2.10 -0.01 0.00 -0.85 -1.18 -5.01 117.35 115.62 2kvz s TYR 35 Ca 0.39 -0.32 -0.01 0.00 -0.52 0.00 0.00 57.07 56.62 2kvz s TYR 35 Cb -0.14 -2.66 0.01 0.00 0.38 0.00 0.00 41.96 39.55 2kvz s TYR 35 CO 0.11 -1.15 0.03 1.21 -1.52 0.00 0.00 175.55 174.24 2kvz s ASN 36 N -4.57 -0.02 -0.11 -0.18 2.47 -1.26 -4.74 114.94 106.52 2kvz s ASN 36 Ca 0.61 0.06 0.01 0.00 0.42 0.00 0.00 52.86 53.96 2kvz s ASN 36 Cb -0.08 0.05 -0.02 0.00 -1.45 0.00 0.00 41.25 39.76 2kvz s ASN 36 CO 0.40 -0.02 -0.14 0.54 -3.72 0.00 0.00 177.10 174.15 2kvz s VAL 37 N 0.15 2.95 0.23 -5.21 0.11 -1.26 -5.10 120.40 112.27 2kvz s VAL 37 Ca -0.01 -0.71 -0.30 0.00 -2.93 0.00 0.00 61.98 58.03 2kvz s VAL 37 Cb -0.02 -2.21 -0.09 0.00 -1.53 0.00 0.00 36.38 32.53 2kvz s VAL 37 CO -0.00 0.54 1.31 -2.84 -3.33 0.00 0.00 175.10 170.77 2kvz s PRO 38 N 0.13 4.39 -0.07 1.54 0.02 -1.26 -4.96 135.00 134.78 2kvz s PRO 38 Ca -0.07 2.09 -0.13 0.00 0.02 0.00 0.00 61.00 62.91 2kvz s PRO 38 Cb -0.15 -3.17 -0.29 0.00 0.02 0.00 0.00 34.50 30.91 2kvz s PRO 38 CO 0.05 -0.23 0.62 0.52 -0.33 0.00 0.00 177.00 177.63 2kvz h MET 39 N 4.91 0.34 -3.38 5.54 2.86 -2.06 -3.51 114.93 119.63 2kvz h MET 39 Ca -0.46 -0.57 0.00 0.00 -2.06 0.00 0.00 59.70 56.61 2kvz h MET 39 Cb 1.22 0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.09 2kvz h MET 39 CO 0.75 1.28 -0.77 1.63 1.06 0.00 0.00 176.91 180.85 2kvz n LYS 40 N -3.72 -4.27 -4.00 1.72 5.02 -1.26 -4.97 118.16 106.67 2kvz n LYS 40 Ca -0.25 3.09 -0.34 0.00 -2.02 0.00 0.00 58.31 58.79 2kvz n LYS 40 Cb 1.01 -3.37 -0.15 0.00 -0.02 0.00 0.00 35.03 32.50 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 -2.24 2.55 0.58 1.97 2.20 -1.26 -5.10 119.74 118.43 2kvz s LYS 41 Ca 0.00 -1.16 -0.04 0.00 -0.36 0.00 0.00 55.97 54.41 2kvz s LYS 41 Cb 0.00 -2.96 0.02 0.00 -1.51 0.00 0.00 37.83 33.38 2kvz s LYS 41 CO 0.00 -0.49 0.86 0.42 -0.36 0.00 0.00 175.35 175.77 2kvz s ILE 42 N 1.23 3.26 -0.67 5.43 1.01 -1.26 -4.92 121.20 125.27 2kvz s ILE 42 Ca -0.04 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.04 2kvz s ILE 42 Cb -0.18 -3.28 -0.14 0.00 0.01 0.00 0.00 42.46 38.86 2kvz s ILE 42 CO -0.05 -0.26 2.48 0.29 0.00 0.00 0.00 174.94 177.41 2kvz n LYS 43 N -2.51 0.60 -2.98 2.79 5.02 -1.26 -2.04 118.16 117.78 2kvz n LYS 43 Ca 0.05 0.05 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 2kvz n LYS 43 Cb 0.59 -2.43 0.04 0.00 -0.02 0.00 0.00 35.03 33.20 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 6.35 0.05 3.55 0.72 0.00 -1.26 -4.96 105.19 109.64 2kvz n GLY 44 Ca 0.50 -0.18 -0.34 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.08 2.88 0.02 1.61 2.02 -0.87 -1.59 117.35 118.35 2kvz s TYR 45 Ca 0.28 -0.04 0.04 0.00 -0.37 0.00 0.00 57.07 56.99 2kvz s TYR 45 Cb -0.12 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 2kvz s TYR 45 CO 0.35 0.28 -0.10 0.99 -1.57 0.00 0.00 175.55 175.50 2kvz s THR 46 N -0.75 3.42 -0.30 -0.71 2.01 0.16 -4.76 115.64 114.71 2kvz s THR 46 Ca 0.11 -0.91 -0.29 0.00 0.31 0.00 0.00 61.69 60.91 2kvz s THR 46 Cb -0.11 -2.48 0.00 0.00 0.01 0.00 0.00 72.50 69.92 2kvz s THR 46 CO 0.01 0.36 1.27 -0.22 -0.69 0.00 0.00 174.62 175.35 2kvz s LEU 47 N -1.48 3.90 -0.06 4.42 2.96 -1.26 -0.91 118.68 126.25 2kvz s LEU 47 Ca 0.17 1.20 -0.24 0.00 -0.22 0.00 0.00 54.13 55.04 2kvz s LEU 47 Cb -0.11 -3.54 -0.26 0.00 0.50 0.00 0.00 46.19 42.78 2kvz s LEU 47 CO 0.07 -1.04 0.95 0.25 -1.32 0.00 0.00 176.35 175.26 2kvz h LEU 48 N 10.73 0.30 0.00 -0.68 5.85 -1.17 -3.48 115.31 126.86 2kvz h LEU 48 Ca -0.25 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 57.60 2kvz h LEU 48 Cb 1.09 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 42.03 2kvz h LEU 48 CO 1.03 1.14 0.00 1.17 -0.34 0.00 0.00 178.44 181.44 2kvz n LYS 49 N -4.37 0.00 -3.02 1.25 4.81 -1.09 -5.04 118.16 110.71 2kvz n LYS 49 Ca -0.11 0.00 -0.44 0.00 -0.87 0.00 0.00 58.31 56.89 2kvz n LYS 49 Cb 0.62 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.62 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 -0.40 2.90 0.11 5.64 1.13 -1.26 -0.90 117.35 124.57 2kvz s TYR 50 Ca 0.00 -0.56 -0.18 0.00 -1.41 0.00 0.00 57.07 54.91 2kvz s TYR 50 Cb 0.00 -3.94 -0.05 0.00 -1.10 0.00 0.00 41.96 36.87 2kvz s TYR 50 CO 0.00 -1.31 1.69 0.22 -2.51 0.00 0.00 175.55 173.64 2kvz h ASP 51 N 9.24 0.36 -3.27 -0.18 3.58 -1.73 -3.40 116.42 121.03 2kvz h ASP 51 Ca -0.28 -0.12 -0.58 0.00 0.42 0.00 0.00 57.03 56.47 2kvz h ASP 51 Cb 1.08 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.98 2kvz h ASP 51 CO 1.07 0.38 -0.09 -0.44 -2.88 0.00 0.00 179.24 177.29 2kvz s SER 52 N -5.63 6.84 0.40 2.28 0.01 -1.26 -5.01 113.70 111.33 2kvz s SER 52 Ca -0.13 1.00 -0.27 0.00 1.31 0.00 0.00 55.95 57.85 2kvz s SER 52 Cb 0.09 -2.32 -0.10 0.00 0.21 0.00 0.00 66.02 63.90 2kvz s SER 52 CO 0.72 0.09 1.42 -1.61 0.41 0.00 0.00 173.24 174.27 2kvz s GLU 53 N -0.00 3.97 0.00 12.44 2.02 -1.26 -4.67 118.70 131.19 2kvz s GLU 53 Ca 0.28 2.42 0.17 0.00 0.02 0.00 0.00 54.97 57.86 2kvz s GLU 53 Cb -0.17 -2.84 0.53 0.00 0.10 0.00 0.00 34.13 31.75 2kvz s GLU 53 CO 0.14 -0.59 1.41 0.44 0.02 0.00 0.00 175.26 176.68 2kvz n ILE 54 N 0.22 0.40 -3.82 -1.63 -5.35 -1.26 -4.74 119.36 103.18 2kvz n ILE 54 Ca 0.03 -0.48 -0.36 0.00 -0.27 0.00 0.00 62.75 61.66 2kvz n ILE 54 Cb 0.41 0.37 -0.13 0.00 -1.74 0.00 0.00 39.64 38.56 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 -1.28 4.32 0.00 7.28 1.43 -1.26 -4.68 118.68 124.50 2kvz s LEU 55 Ca 0.30 -1.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.03 2kvz s LEU 55 Cb 0.16 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2kvz s LEU 55 CO 0.23 -0.34 0.07 0.61 0.23 0.00 0.00 176.35 177.14 2kvz n GLY 56 N 4.70 0.77 3.43 -3.19 0.00 -1.26 -5.13 105.19 104.51 2kvz n GLY 56 Ca -0.11 -0.87 -0.25 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.24 2.32 -0.21 1.61 -7.23 -1.26 -3.09 120.40 110.29 2kvz s VAL 57 Ca 0.02 -2.13 -0.28 0.00 -1.81 0.00 0.00 61.98 57.78 2kvz s VAL 57 Cb -0.00 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 2kvz s VAL 57 CO 0.00 -0.22 2.19 -0.36 -0.31 0.00 0.00 175.10 176.39 2kvz s PHE 58 N -1.96 1.20 0.24 2.82 0.08 0.03 -4.87 117.98 115.52 2kvz s PHE 58 Ca 0.23 0.51 0.06 0.00 0.12 0.00 0.00 56.93 57.85 2kvz s PHE 58 Cb -0.07 -3.95 -0.03 0.00 -0.57 0.00 0.00 43.02 38.40 2kvz s PHE 58 CO 0.11 -4.08 0.25 0.99 -0.10 0.00 0.00 175.22 172.39 2kvz s THR 59 N 8.09 4.74 0.27 0.64 2.01 -1.26 -1.18 115.64 128.95 2kvz s THR 59 Ca 0.99 -1.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.72 2kvz s THR 59 Cb -0.33 -3.55 0.22 0.00 0.01 0.00 0.00 72.50 68.85 2kvz s THR 59 CO 0.35 -0.32 1.90 -0.33 -0.69 0.00 0.00 174.62 175.53 2kvz h GLU 60 N 1.46 1.12 -6.69 4.92 3.07 -1.96 -3.43 114.58 113.07 2kvz h GLU 60 Ca -0.50 -0.12 -0.53 0.00 -0.50 0.00 0.00 59.36 57.72 2kvz h GLU 60 Cb 1.23 -0.23 0.05 0.00 -0.84 0.00 0.00 28.75 28.97 2kvz h GLU 60 CO 0.61 0.81 0.83 -1.12 -1.40 0.00 0.00 179.01 178.74 2kvz s SER 61 N -6.32 6.59 -0.11 1.42 0.01 -1.26 -4.83 113.70 109.20 2kvz s SER 61 Ca -0.12 2.68 -0.29 0.00 1.31 0.00 0.00 55.95 59.53 2kvz s SER 61 Cb 0.17 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 2kvz s SER 61 CO 0.81 -0.78 2.07 -2.84 0.41 0.00 0.00 173.24 172.90 2kvz s PRO 62 N 0.30 3.60 0.12 12.44 0.02 -1.26 -4.86 135.00 145.35 2kvz s PRO 62 Ca 0.65 2.24 -0.04 0.00 0.02 0.00 0.00 61.00 63.86 2kvz s PRO 62 Cb -0.43 -4.26 -0.05 0.00 0.02 0.00 0.00 34.50 29.77 2kvz s PRO 62 CO 0.38 -1.57 0.34 -0.65 -0.33 0.00 0.00 177.00 175.17 2kvz s GLN 63 N 5.44 3.58 -0.23 5.54 -0.21 -1.16 -4.96 119.66 127.67 2kvz s GLN 63 Ca 0.93 -0.16 -0.01 0.00 0.02 0.00 0.00 55.36 56.15 2kvz s GLN 63 Cb -0.36 -2.90 0.06 0.00 1.00 0.00 0.00 33.01 30.81 2kvz s GLN 63 CO 0.37 0.51 -0.01 0.99 -2.12 0.00 0.00 175.29 175.04 2kvz s THR 64 N -1.60 1.10 -0.79 -0.19 2.01 -1.26 0.60 115.64 115.50 2kvz s THR 64 Ca 0.39 -1.00 -0.20 0.00 0.31 0.00 0.00 61.69 61.19 2kvz s THR 64 Cb -0.12 -1.50 0.11 0.00 0.01 0.00 0.00 72.50 70.99 2kvz s THR 64 CO 0.25 -0.20 1.01 -0.63 -0.69 0.00 0.00 174.62 174.37 2kvz s ILE 65 N 1.58 4.61 -0.83 1.82 1.01 -0.18 -4.72 121.20 124.49 2kvz s ILE 65 Ca -0.02 -1.10 -0.23 0.00 0.00 0.00 0.00 60.65 59.30 2kvz s ILE 65 Cb -0.18 -4.71 0.07 0.00 0.01 0.00 0.00 42.46 37.65 2kvz s ILE 65 CO -0.08 -1.44 1.19 0.54 0.00 0.00 0.00 174.94 175.15 2kvz s ASN 66 N 3.63 6.36 -0.33 3.58 4.22 -1.26 -0.93 114.94 130.20 2kvz s ASN 66 Ca 0.26 -1.24 -0.18 0.00 -2.14 0.00 0.00 52.86 49.56 2kvz s ASN 66 Cb -0.11 -2.48 -0.01 0.00 1.28 0.00 0.00 41.25 39.93 2kvz s ASN 66 CO -0.01 -1.46 0.53 -0.63 -2.04 0.00 0.00 177.10 173.50 2kvz s ILE 67 N 4.33 5.01 -0.27 0.54 1.01 -0.18 -1.71 121.20 129.93 2kvz s ILE 67 Ca 0.33 0.51 -0.12 0.00 0.00 0.00 0.00 60.65 61.37 2kvz s ILE 67 Cb -0.08 -3.95 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2kvz s ILE 67 CO 0.01 -0.16 0.23 -0.63 0.00 0.00 0.00 174.94 174.39 2kvz s ILE 68 N 2.43 5.29 0.28 2.92 1.01 -0.08 0.29 121.20 133.34 2kvz s ILE 68 Ca 0.20 0.27 0.09 0.00 0.00 0.00 0.00 60.65 61.21 2kvz s ILE 68 Cb -0.15 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2kvz s ILE 68 CO 0.13 0.25 0.04 -0.31 0.00 0.00 0.00 174.94 175.05 2kvz s TYR 69 N 1.66 2.75 0.08 3.97 2.02 -0.05 -0.60 117.35 127.17 2kvz s TYR 69 Ca 0.09 -0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 56.46 2kvz s TYR 69 Cb -0.15 -1.29 0.00 0.00 -0.40 0.00 0.00 41.96 40.11 2kvz s TYR 69 CO 0.09 0.56 0.20 1.14 -1.57 0.00 0.00 175.55 175.97 2kvz s GLN 70 N -3.72 0.82 0.51 -0.62 -2.07 -0.08 -2.71 119.66 111.78 2kvz s GLN 70 Ca 0.33 -0.89 -0.20 0.00 -1.82 0.00 0.00 55.36 52.78 2kvz s GLN 70 Cb -0.06 0.34 -0.07 0.00 -1.09 0.00 0.00 33.01 32.12 2kvz s GLN 70 CO 0.21 -0.26 1.06 0.15 -1.32 0.00 0.00 175.29 175.13 2kvz s LYS 71 N -3.62 3.65 0.00 9.60 1.02 -1.26 0.37 119.74 129.50 2kvz s LYS 71 Ca 0.03 1.41 0.11 0.00 0.02 0.00 0.00 55.97 57.54 2kvz s LYS 71 Cb 0.04 -2.07 0.64 0.00 -0.52 0.00 0.00 37.83 35.92 2kvz s LYS 71 CO -0.10 -0.57 1.34 1.63 -0.92 0.00 0.00 175.35 176.74 2kvz n LYS 72 N -1.14 0.91 -3.78 1.68 5.02 -0.62 -4.71 118.16 115.52 2kvz n LYS 72 Ca 0.10 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.26 2kvz n LYS 72 Cb 0.52 -1.18 -0.12 0.00 -0.02 0.00 0.00 35.03 34.23 2kvz n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kvz s ALA 73 N -2.00 -0.55 -1.08 7.82 0.00 -1.26 -5.02 121.76 119.66 2kvz s ALA 73 Ca 0.16 0.69 0.12 0.00 0.00 0.00 0.00 51.96 52.93 2kvz s ALA 73 Cb 0.07 -0.41 0.54 0.00 0.00 0.00 0.00 23.12 23.33 2kvz s ALA 73 CO 0.12 -0.12 1.38 -2.30 0.00 0.00 0.00 175.76 174.84 2kvz n PRO 74 N 3.15 0.04 -2.46 0.00 -0.02 -1.26 -4.50 135.00 129.95 2kvz n PRO 74 Ca -0.15 0.27 -0.41 0.00 -2.02 0.00 0.00 63.50 61.19 2kvz n PRO 74 Cb 0.58 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.53 2kvz n PRO 74 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2kvz s GLU 75 N -2.92 3.09 -0.27 -0.52 2.12 -1.26 -4.97 118.70 113.97 2kvz s GLU 75 Ca 0.07 -0.08 -0.21 0.00 0.36 0.00 0.00 54.97 55.12 2kvz s GLU 75 Cb 0.08 -4.22 -0.01 0.00 0.26 0.00 0.00 34.13 30.24 2kvz s GLU 75 CO 0.22 -2.25 0.66 -0.65 -0.54 0.00 0.00 175.26 172.70 2kvz s GLN 76 N 5.97 4.06 0.92 4.30 -0.21 -1.26 -5.04 119.66 128.39 2kvz s GLN 76 Ca 0.41 0.54 -0.11 0.00 0.02 0.00 0.00 55.36 56.22 2kvz s GLN 76 Cb -0.09 -3.67 0.14 0.00 1.00 0.00 0.00 33.01 30.39 2kvz s GLN 76 CO 0.16 -0.48 1.11 0.00 -2.12 0.00 0.00 175.29 173.96 2kvz s ALA 77 N 2.61 1.36 -1.43 6.09 0.00 -1.26 -4.59 121.76 124.53 2kvz s ALA 77 Ca 0.27 0.30 0.24 0.00 0.00 0.00 0.00 51.96 52.78 2kvz s ALA 77 Cb -0.15 -3.34 1.21 0.00 0.00 0.00 0.00 23.12 20.84 2kvz s ALA 77 CO 0.09 -2.65 1.80 1.28 0.00 0.00 0.00 175.76 176.28 2kvz n LEU 78 N -4.13 0.00 0.17 0.00 4.77 -1.26 -0.27 117.00 116.29 2kvz n LEU 78 Ca 0.09 0.28 0.04 0.00 -0.03 0.00 0.00 56.01 56.39 2kvz n LEU 78 Cb 0.53 -0.28 0.24 0.00 -2.33 0.00 0.00 43.42 41.57 2kvz n LEU 78 CO 0.52 -0.06 0.59 -0.33 -1.33 0.00 0.00 177.39 176.79 2kvz h GLU 79 N 0.00 0.00 0.00 3.23 5.08 -2.02 -3.37 114.58 117.49 2kvz h GLU 79 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 2kvz h GLU 79 Cb 0.23 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 2kvz h GLU 79 CO 0.00 0.45 -1.75 1.58 -1.00 0.00 0.00 179.01 178.29 2kvz n HIS 80 N -3.47 0.00 -3.85 4.33 -0.00 -0.45 -4.95 115.22 106.83 2kvz n HIS 80 Ca 0.00 0.00 -0.36 0.00 0.46 0.00 0.00 57.72 57.82 2kvz n HIS 80 Cb 0.59 -0.50 -0.13 0.00 -0.12 0.00 0.00 29.99 29.82 2kvz n HIS 80 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kvz s HIS 81 N -2.26 3.10 0.51 1.57 5.65 0.63 -5.03 115.29 119.46 2kvz s HIS 81 Ca -0.18 -1.18 0.02 0.00 0.25 0.00 0.00 55.06 53.97 2kvz s HIS 81 Cb 0.06 -2.16 0.02 0.00 -1.18 0.00 0.00 32.58 29.31 2kvz s HIS 81 CO 0.28 -0.62 0.73 -1.01 -0.65 0.00 0.00 174.74 173.46 2kvz s HIS 82 N 1.43 2.94 -0.01 3.88 0.09 -1.26 -4.04 115.29 118.32 2kvz s HIS 82 Ca 0.02 0.00 0.01 0.00 -0.00 0.00 0.00 55.06 55.09 2kvz s HIS 82 Cb -0.17 -2.61 -0.02 0.00 -0.00 0.00 0.00 32.58 29.79 2kvz s HIS 82 CO -0.01 -0.70 0.00 0.72 -0.00 0.00 0.00 174.74 174.75 2kvz n HIS 83 N -2.23 0.00 -4.42 1.40 8.25 -1.26 -5.06 115.22 111.90 2kvz n HIS 83 Ca 0.06 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.31 2kvz n HIS 83 Cb 0.59 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.53 2kvz n HIS 83 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kvz s HIS 84 N -2.03 1.93 -2.84 4.41 3.76 -1.26 -5.33 115.29 113.93 2kvz s HIS 84 Ca -0.01 -0.68 0.25 0.00 -0.15 0.00 0.00 55.06 54.48 2kvz s HIS 84 Cb 0.00 -1.08 0.46 0.00 1.11 0.00 0.00 32.58 33.08 2kvz s HIS 84 CO 0.06 0.30 1.41 1.58 -0.85 0.00 0.00 174.74 177.24