#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvz s ASP 2 N 0.00 7.09 -0.40 7.83 -4.77 -1.26 -5.03 116.67 120.13 2kvz s ASP 2 Ca 0.00 1.32 -0.18 0.00 -3.30 0.00 0.00 52.55 50.38 2kvz s ASP 2 Cb 0.00 -2.47 0.01 0.00 -1.09 0.00 0.00 42.92 39.38 2kvz s ASP 2 CO 0.00 -0.23 0.52 0.12 0.70 0.00 0.00 175.17 176.28 2kvz s PHE 3 N 1.20 3.14 0.00 2.11 2.19 -1.26 -4.99 117.98 120.37 2kvz s PHE 3 Ca 0.42 -0.09 0.00 0.00 0.33 0.00 0.00 56.93 57.59 2kvz s PHE 3 Cb -0.18 -3.03 0.00 0.00 -1.31 0.00 0.00 43.02 38.50 2kvz s PHE 3 CO 0.19 -0.69 0.00 0.41 1.83 0.00 0.00 175.22 176.96 2kvz n GLY 4 N 4.98 1.20 3.29 13.12 0.00 -1.26 -5.07 105.19 121.46 2kvz n GLY 4 Ca -0.05 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 2kvz n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kvz s LYS 5 N 0.11 1.18 0.25 1.61 1.02 -1.26 -5.03 119.74 117.62 2kvz s LYS 5 Ca 0.00 -1.48 0.17 0.00 0.02 0.00 0.00 55.97 54.69 2kvz s LYS 5 Cb 0.00 -0.92 0.93 0.00 -0.52 0.00 0.00 37.83 37.32 2kvz s LYS 5 CO 0.00 0.15 1.53 -2.30 -0.92 0.00 0.00 175.35 173.81 2kvz n PRO 6 N -0.14 0.11 -0.17 -1.68 -0.02 -1.26 -1.78 135.00 130.06 2kvz n PRO 6 Ca -0.10 0.59 0.03 0.00 -2.02 0.00 0.00 63.50 62.00 2kvz n PRO 6 Cb 0.60 -1.86 0.10 0.00 -0.02 0.00 0.00 33.50 32.32 2kvz n PRO 6 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2kvz n ASN 7 N -2.10 1.63 -4.65 2.55 3.02 -1.26 -1.57 115.26 112.88 2kvz n ASN 7 Ca -0.01 -2.11 -0.39 0.00 -0.03 0.00 0.00 54.58 52.04 2kvz n ASN 7 Cb 0.04 -0.31 -0.08 0.00 -0.61 0.00 0.00 39.78 38.82 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 -1.63 4.12 -0.25 3.52 -0.21 -0.74 -3.58 119.66 120.90 2kvz s GLN 8 Ca 0.14 0.21 -0.12 0.00 0.02 0.00 0.00 55.36 55.61 2kvz s GLN 8 Cb 0.09 -3.58 -0.05 0.00 1.00 0.00 0.00 33.01 30.47 2kvz s GLN 8 CO 0.07 -0.15 0.22 0.08 -2.12 0.00 0.00 175.29 173.39 2kvz s VAL 9 N 1.68 5.30 -0.32 1.09 1.01 0.92 -3.02 120.40 127.06 2kvz s VAL 9 Ca 0.19 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 2kvz s VAL 9 Cb -0.15 -3.56 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2kvz s VAL 9 CO 0.09 0.28 0.67 -0.89 0.00 0.00 0.00 175.10 175.24 2kvz s THR 10 N 1.44 4.89 -0.34 3.92 2.01 0.96 -0.38 115.64 128.14 2kvz s THR 10 Ca 0.10 0.83 -0.19 0.00 0.31 0.00 0.00 61.69 62.74 2kvz s THR 10 Cb -0.15 -4.06 -0.00 0.00 0.01 0.00 0.00 72.50 68.30 2kvz s THR 10 CO 0.08 -0.23 0.58 -0.69 -0.69 0.00 0.00 174.62 173.67 2kvz s VAL 11 N 2.73 4.96 -0.32 3.82 1.01 -0.97 -0.58 120.40 131.05 2kvz s VAL 11 Ca 0.27 0.53 -0.08 0.00 0.00 0.00 0.00 61.98 62.70 2kvz s VAL 11 Cb -0.15 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.25 2kvz s VAL 11 CO 0.13 -0.23 0.12 0.20 0.00 0.00 0.00 175.10 175.32 2kvz s ASN 12 N 1.75 5.33 -0.62 3.32 0.01 0.88 -1.89 114.94 123.71 2kvz s ASN 12 Ca 0.22 -0.83 -0.27 0.00 -0.71 0.00 0.00 52.86 51.26 2kvz s ASN 12 Cb -0.15 -1.92 0.03 0.00 0.41 0.00 0.00 41.25 39.62 2kvz s ASN 12 CO 0.13 -0.26 1.19 -0.31 -1.51 0.00 0.00 177.10 176.35 2kvz s TYR 13 N 1.50 2.54 0.02 2.20 1.51 -1.26 -0.83 117.35 123.03 2kvz s TYR 13 Ca 0.02 0.24 0.03 0.00 -1.01 0.00 0.00 57.07 56.35 2kvz s TYR 13 Cb -0.18 -4.50 -0.04 0.00 -0.11 0.00 0.00 41.96 37.14 2kvz s TYR 13 CO 0.04 -1.69 -0.04 -0.51 -1.11 0.00 0.00 175.55 172.23 2kvz s LEU 14 N 5.04 3.29 0.79 -1.29 1.43 0.12 -1.07 118.68 126.98 2kvz s LEU 14 Ca 0.39 -0.13 -0.10 0.00 -1.03 0.00 0.00 54.13 53.26 2kvz s LEU 14 Cb -0.08 -1.91 0.09 0.00 0.03 0.00 0.00 46.19 44.32 2kvz s LEU 14 CO 0.22 0.26 1.14 -0.62 0.23 0.00 0.00 176.35 177.58 2kvz s ASP 15 N -1.60 4.42 0.25 2.29 2.15 0.18 0.25 116.67 124.61 2kvz s ASP 15 Ca 0.19 0.57 0.05 0.00 0.43 0.00 0.00 52.55 53.79 2kvz s ASP 15 Cb -0.11 -1.05 0.31 0.00 -0.30 0.00 0.00 42.92 41.76 2kvz s ASP 15 CO 0.10 -1.91 1.60 -0.08 -0.17 0.00 0.00 175.17 174.70 2kvz h GLU 16 N -0.97 0.26 -0.39 4.34 4.81 -1.90 -0.76 114.58 119.96 2kvz h GLU 16 Ca -0.45 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2kvz h GLU 16 Cb 1.31 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2kvz h GLU 16 CO 0.60 0.73 0.00 0.09 -0.73 0.00 0.00 179.01 179.70 2kvz n ASN 17 N -3.93 1.56 -2.66 1.04 3.02 -1.26 -4.95 115.26 108.09 2kvz n ASN 17 Ca -0.02 -2.07 -0.04 0.00 -0.03 0.00 0.00 54.58 52.42 2kvz n ASN 17 Cb 0.57 -0.25 -0.03 0.00 -0.61 0.00 0.00 39.78 39.46 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 0.19 -3.20 -3.70 6.41 3.02 -0.29 -5.09 115.26 112.61 2kvz n ASN 18 Ca 0.08 1.37 -0.13 0.00 -0.03 0.00 0.00 54.58 55.87 2kvz n ASN 18 Cb 0.28 -5.18 -0.09 0.00 -0.61 0.00 0.00 39.78 34.19 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 -0.99 -0.00 -0.84 3.41 2.01 -1.25 -4.80 115.64 113.18 2kvz s THR 19 Ca -0.18 0.01 -0.25 0.00 0.31 0.00 0.00 61.69 61.57 2kvz s THR 19 Cb 0.01 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 2kvz s THR 19 CO 0.77 0.00 1.80 -0.55 -0.69 0.00 0.00 174.62 175.95 2kvz s SER 20 N 0.42 5.46 0.28 3.53 0.15 -1.26 -0.65 113.70 121.64 2kvz s SER 20 Ca -0.01 -0.52 0.14 0.00 0.70 0.00 0.00 55.95 56.25 2kvz s SER 20 Cb -0.04 -2.55 0.30 0.00 -1.71 0.00 0.00 66.02 62.02 2kvz s SER 20 CO -0.01 -2.39 1.56 -0.29 1.20 0.00 0.00 173.24 173.30 2kvz h ILE 21 N 7.00 1.19 -3.88 6.45 6.09 -1.44 -3.45 117.51 129.48 2kvz h ILE 21 Ca -0.01 -2.19 -0.26 0.00 -1.37 0.00 0.00 64.86 61.04 2kvz h ILE 21 Cb 1.05 2.26 -0.18 0.00 0.47 0.00 0.00 36.82 40.42 2kvz h ILE 21 CO 1.25 0.57 -0.72 0.00 -3.07 0.00 0.00 178.15 176.19 2kvz s ALA 22 N -3.30 0.82 0.28 0.18 0.00 -1.25 -5.09 121.76 113.39 2kvz s ALA 22 Ca 0.01 -1.07 -0.30 0.00 0.00 0.00 0.00 51.96 50.60 2kvz s ALA 22 Cb 0.11 0.09 -0.13 0.00 0.00 0.00 0.00 23.12 23.18 2kvz s ALA 22 CO 0.74 -0.11 1.26 -2.30 0.00 0.00 0.00 175.76 175.35 2kvz n PRO 23 N 0.70 1.84 -2.23 0.00 -0.02 -1.26 -4.37 135.00 129.65 2kvz n PRO 23 Ca -0.17 0.65 -0.42 0.00 -2.02 0.00 0.00 63.50 61.54 2kvz n PRO 23 Cb 0.58 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 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 -0.12 6.90 0.38 2.55 1.04 -1.26 -4.78 113.70 118.41 2kvz s SER 24 Ca 0.62 2.32 0.01 0.00 0.48 0.00 0.00 55.95 59.38 2kvz s SER 24 Cb -0.65 -2.60 -0.02 0.00 0.10 0.00 0.00 66.02 62.85 2kvz s SER 24 CO 0.56 -0.56 0.59 -0.76 0.98 0.00 0.00 173.24 174.05 2kvz s LEU 25 N 0.43 3.89 -0.29 2.42 1.43 -0.79 -4.90 118.68 120.87 2kvz s LEU 25 Ca 0.59 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 2kvz s LEU 25 Cb -0.36 -3.25 0.07 0.00 0.03 0.00 0.00 46.19 42.68 2kvz s LEU 25 CO 0.34 -0.43 -0.04 -0.31 0.23 0.00 0.00 176.35 176.15 2kvz s TYR 26 N -2.39 3.40 -0.59 0.29 2.02 -1.26 -2.29 117.35 116.52 2kvz s TYR 26 Ca 0.43 -2.41 -0.22 0.00 -0.37 0.00 0.00 57.07 54.50 2kvz s TYR 26 Cb -0.10 -2.25 0.06 0.00 -0.40 0.00 0.00 41.96 39.27 2kvz s TYR 26 CO 0.37 -0.89 0.88 -0.51 -1.57 0.00 0.00 175.55 173.82 2kvz s LEU 27 N 1.08 4.48 -0.18 -1.29 1.43 0.49 -4.89 118.68 119.80 2kvz s LEU 27 Ca -0.03 -0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 52.25 2kvz s LEU 27 Cb -0.20 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.48 2kvz s LEU 27 CO -0.05 -1.25 -0.13 -0.94 0.23 0.00 0.00 176.35 174.21 2kvz s SER 28 N 3.24 3.70 0.00 2.29 1.04 -1.26 -0.05 113.70 122.66 2kvz s SER 28 Ca 0.23 -0.50 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2kvz s SER 28 Cb -0.17 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.36 2kvz s SER 28 CO 0.13 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.99 2kvz n GLY 29 N 4.46 3.75 3.85 7.32 0.00 -1.23 -5.03 105.19 118.30 2kvz n GLY 29 Ca -0.19 -0.57 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 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 3.76 0.16 0.99 1.43 -1.26 -4.86 118.68 118.89 2kvz s LEU 30 Ca 0.00 1.48 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 2kvz s LEU 30 Cb 0.00 -4.38 0.06 0.00 0.03 0.00 0.00 46.19 41.90 2kvz s LEU 30 CO 0.00 -0.48 1.76 0.15 0.23 0.00 0.00 176.35 178.01 2kvz h PHE 31 N 1.28 0.27 -3.07 0.29 3.57 -1.92 -3.16 116.94 114.19 2kvz h PHE 31 Ca -0.47 0.02 -0.78 0.00 3.53 0.00 0.00 57.97 60.27 2kvz h PHE 31 Cb 1.18 -0.07 -0.30 0.00 2.79 0.00 0.00 35.95 39.56 2kvz h PHE 31 CO 0.63 0.12 0.48 -1.71 -2.23 0.00 0.00 178.31 175.60 2kvz n ASN 32 N -4.99 5.71 -3.75 0.41 2.85 -1.26 -2.65 115.26 111.58 2kvz n ASN 32 Ca 0.01 -3.29 -0.22 0.00 -0.11 0.00 0.00 54.58 50.98 2kvz n ASN 32 Cb 0.12 -1.22 -0.18 0.00 1.24 0.00 0.00 39.78 39.74 2kvz n ASN 32 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2kvz s GLU 33 N -2.22 0.42 -0.32 1.20 2.12 -1.19 -4.94 118.70 113.77 2kvz s GLU 33 Ca 0.31 0.17 -0.29 0.00 0.36 0.00 0.00 54.97 55.53 2kvz s GLU 33 Cb 0.01 -0.82 -0.01 0.00 0.26 0.00 0.00 34.13 33.57 2kvz s GLU 33 CO 0.02 -0.29 1.54 0.00 -0.54 0.00 0.00 175.26 175.99 2kvz s ALA 34 N 1.93 3.13 0.35 6.30 0.00 -1.26 -2.27 121.76 129.94 2kvz s ALA 34 Ca 0.04 0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.23 2kvz s ALA 34 Cb -0.12 -3.90 -0.02 0.00 0.00 0.00 0.00 23.12 19.07 2kvz s ALA 34 CO -0.04 -2.21 0.35 1.52 0.00 0.00 0.00 175.76 175.38 2kvz s TYR 35 N 5.51 2.91 0.14 0.00 1.13 -0.50 -4.97 117.35 121.57 2kvz s TYR 35 Ca 0.67 -0.32 0.10 0.00 -1.41 0.00 0.00 57.07 56.12 2kvz s TYR 35 Cb -0.19 -1.91 -0.04 0.00 -1.10 0.00 0.00 41.96 38.71 2kvz s TYR 35 CO 0.30 0.08 -0.23 -0.80 -2.51 0.00 0.00 175.55 172.39 2kvz s ASN 36 N -4.06 3.56 -0.22 -0.18 0.01 -1.26 -4.28 114.94 108.52 2kvz s ASN 36 Ca 0.43 -0.71 -0.04 0.00 -0.71 0.00 0.00 52.86 51.84 2kvz s ASN 36 Cb -0.06 -0.35 -0.01 0.00 0.41 0.00 0.00 41.25 41.24 2kvz s ASN 36 CO 0.28 0.16 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.29 2kvz s VAL 37 N -1.26 3.31 -0.14 1.60 1.01 -1.26 -5.08 120.40 118.58 2kvz s VAL 37 Ca 0.17 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2kvz s VAL 37 Cb -0.10 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.75 2kvz s VAL 37 CO 0.09 0.43 1.54 -2.84 0.00 0.00 0.00 175.10 174.32 2kvz s PRO 38 N 1.42 4.06 -0.08 2.72 0.02 -1.26 -4.92 135.00 136.97 2kvz s PRO 38 Ca 0.05 1.88 -0.09 0.00 0.02 0.00 0.00 61.00 62.86 2kvz s PRO 38 Cb -0.14 -3.95 -0.29 0.00 0.02 0.00 0.00 34.50 30.14 2kvz s PRO 38 CO -0.03 -0.96 0.55 0.52 -0.33 0.00 0.00 177.00 176.74 2kvz h MET 39 N 9.60 0.34 -2.65 5.54 2.86 -2.04 -3.51 114.93 125.06 2kvz h MET 39 Ca -0.34 -0.58 0.28 0.00 -2.06 0.00 0.00 59.70 57.00 2kvz h MET 39 Cb 1.15 0.22 -0.12 0.00 0.06 0.00 0.00 31.60 32.90 2kvz h MET 39 CO 0.97 1.27 -0.78 1.63 1.06 0.00 0.00 176.91 181.07 2kvz n LYS 40 N -3.54 -2.48 -4.01 1.72 5.02 -1.26 -4.88 118.16 108.73 2kvz n LYS 40 Ca -0.27 1.90 -0.31 0.00 -2.02 0.00 0.00 58.31 57.60 2kvz n LYS 40 Cb 1.06 -2.94 -0.16 0.00 -0.02 0.00 0.00 35.03 32.97 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 -3.23 2.13 0.52 1.97 2.20 -1.26 -5.12 119.74 116.95 2kvz s LYS 41 Ca 0.00 -0.88 -0.07 0.00 -0.36 0.00 0.00 55.97 54.66 2kvz s LYS 41 Cb 0.00 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.82 2kvz s LYS 41 CO 0.00 -0.42 0.86 0.42 -0.36 0.00 0.00 175.35 175.85 2kvz s ILE 42 N 1.36 4.85 -0.83 5.43 -1.09 -1.26 -4.94 121.20 124.72 2kvz s ILE 42 Ca -0.01 0.42 -0.25 0.00 -2.23 0.00 0.00 60.65 58.57 2kvz s ILE 42 Cb -0.16 -3.87 -0.07 0.00 -1.58 0.00 0.00 42.46 36.78 2kvz s ILE 42 CO -0.08 -0.94 2.10 -0.54 -1.23 0.00 0.00 174.94 174.25 2kvz s LYS 43 N -4.87 2.24 -0.31 2.79 1.02 -1.26 -3.15 119.74 116.20 2kvz s LYS 43 Ca 0.50 0.09 -0.00 0.00 0.02 0.00 0.00 55.97 56.58 2kvz s LYS 43 Cb -0.11 -4.90 -0.00 0.00 -0.52 0.00 0.00 37.83 32.30 2kvz s LYS 43 CO 0.48 -3.67 0.26 0.41 -0.92 0.00 0.00 175.35 171.91 2kvz n GLY 44 N 6.72 0.26 3.01 -3.33 0.00 -1.26 -4.95 105.19 105.64 2kvz n GLY 44 Ca 0.41 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.10 1.57 -0.03 1.61 1.51 -1.19 -2.16 117.35 115.56 2kvz s TYR 45 Ca 0.02 -0.65 -0.16 0.00 -1.01 0.00 0.00 57.07 55.27 2kvz s TYR 45 Cb -0.00 -1.17 -0.05 0.00 -0.11 0.00 0.00 41.96 40.62 2kvz s TYR 45 CO 0.19 -0.36 0.43 0.99 -1.11 0.00 0.00 175.55 175.69 2kvz s THR 46 N 0.91 5.06 -0.41 -0.71 2.01 0.14 -4.71 115.64 117.92 2kvz s THR 46 Ca -0.10 0.87 -0.28 0.00 0.31 0.00 0.00 61.69 62.49 2kvz s THR 46 Cb -0.15 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.61 2kvz s THR 46 CO 0.01 0.51 1.61 -0.22 -0.69 0.00 0.00 174.62 175.83 2kvz s LEU 47 N -0.61 3.51 0.11 4.42 2.96 -1.26 0.10 118.68 127.91 2kvz s LEU 47 Ca 0.24 0.92 -0.23 0.00 -0.22 0.00 0.00 54.13 54.84 2kvz s LEU 47 Cb -0.16 -3.39 -0.07 0.00 0.50 0.00 0.00 46.19 43.06 2kvz s LEU 47 CO 0.12 -1.65 1.69 0.25 -1.32 0.00 0.00 176.35 175.44 2kvz h LEU 48 N 13.25 -0.33 0.00 -0.68 5.85 -1.75 -3.47 115.31 128.18 2kvz h LEU 48 Ca -0.30 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2kvz h LEU 48 Cb 1.13 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.31 2kvz h LEU 48 CO 1.08 -0.16 0.00 1.17 -0.34 0.00 0.00 178.44 180.20 2kvz n LYS 49 N -5.24 0.00 -3.02 1.25 4.81 -1.26 -5.09 118.16 109.60 2kvz n LYS 49 Ca -0.05 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.00 2kvz n LYS 49 Cb 0.16 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.16 2kvz n LYS 49 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2kvz s TYR 50 N -2.00 3.82 0.22 5.64 2.02 -1.26 -4.45 117.35 121.34 2kvz s TYR 50 Ca 0.00 1.51 0.19 0.00 -0.37 0.00 0.00 57.07 58.40 2kvz s TYR 50 Cb 0.00 -2.75 0.79 0.00 -0.40 0.00 0.00 41.96 39.59 2kvz s TYR 50 CO 0.00 0.42 1.79 0.22 -1.57 0.00 0.00 175.55 176.41 2kvz h ASP 51 N 4.96 0.00 -5.02 2.29 3.58 -2.01 -3.46 116.42 116.75 2kvz h ASP 51 Ca -0.46 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.03 2kvz h ASP 51 Cb 1.21 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.22 2kvz h ASP 51 CO 0.68 0.34 0.26 -0.94 -2.88 0.00 0.00 179.24 176.70 2kvz s SER 52 N -6.46 -0.16 0.31 2.28 1.04 -1.26 -5.15 113.70 104.30 2kvz s SER 52 Ca -0.01 -0.80 -0.28 0.00 0.48 0.00 0.00 55.95 55.34 2kvz s SER 52 Cb 0.12 0.76 -0.09 0.00 0.10 0.00 0.00 66.02 66.90 2kvz s SER 52 CO 0.68 -1.45 1.13 -1.61 0.98 0.00 0.00 173.24 172.96 2kvz s GLU 53 N -3.27 4.50 -0.02 4.02 0.41 -1.26 -4.95 118.70 118.13 2kvz s GLU 53 Ca 0.13 1.83 0.20 0.00 -0.41 0.00 0.00 54.97 56.71 2kvz s GLU 53 Cb -0.05 -3.06 -0.28 0.00 -1.78 0.00 0.00 34.13 28.95 2kvz s GLU 53 CO 0.08 0.08 0.53 0.44 -0.49 0.00 0.00 175.26 175.90 2kvz n ILE 54 N 0.91 0.00 -2.54 -1.63 -5.35 -1.26 -4.81 119.36 104.68 2kvz n ILE 54 Ca 0.00 -0.35 -0.41 0.00 -0.27 0.00 0.00 62.75 61.72 2kvz n ILE 54 Cb 0.45 0.28 -0.03 0.00 -1.74 0.00 0.00 39.64 38.60 2kvz n ILE 54 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2kvz s LEU 55 N -4.01 3.34 0.00 7.28 2.96 -1.26 -4.80 118.68 122.19 2kvz s LEU 55 Ca -0.04 -0.98 0.00 0.00 -0.22 0.00 0.00 54.13 52.89 2kvz s LEU 55 Cb 0.13 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.26 2kvz s LEU 55 CO 0.82 -1.68 0.00 0.61 -1.32 0.00 0.00 176.35 174.78 2kvz n GLY 56 N 6.22 1.67 3.98 7.98 0.00 -1.26 -5.03 105.19 118.74 2kvz n GLY 56 Ca 0.20 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.75 4.49 0.84 1.61 -7.23 -1.26 -1.41 120.40 114.69 2kvz s VAL 57 Ca 0.00 -0.88 -0.14 0.00 -1.81 0.00 0.00 61.98 59.15 2kvz s VAL 57 Cb 0.00 -3.59 0.21 0.00 0.56 0.00 0.00 36.38 33.56 2kvz s VAL 57 CO 0.00 -0.26 0.76 0.49 -0.31 0.00 0.00 175.10 175.78 2kvz n PHE 58 N -1.65 -3.63 -3.68 2.82 3.72 -0.96 -4.90 117.46 109.18 2kvz n PHE 58 Ca -0.03 -0.69 -0.11 0.00 -0.05 0.00 0.00 57.45 56.58 2kvz n PHE 58 Cb 0.58 -0.78 -0.05 0.00 -0.94 0.00 0.00 39.48 38.28 2kvz n PHE 58 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2kvz s THR 59 N -2.40 0.08 -0.19 4.37 2.01 -1.25 -4.70 115.64 113.56 2kvz s THR 59 Ca 0.49 -0.66 -0.01 0.00 0.31 0.00 0.00 61.69 61.82 2kvz s THR 59 Cb -0.05 -1.15 0.09 0.00 0.01 0.00 0.00 72.50 71.40 2kvz s THR 59 CO 0.37 -0.36 2.20 1.21 -0.69 0.00 0.00 174.62 177.35 2kvz n GLU 60 N -0.05 1.58 -3.67 4.92 2.13 -1.26 -4.17 120.64 120.12 2kvz n GLU 60 Ca -0.16 -1.03 -0.08 0.00 0.66 0.00 0.00 57.16 56.54 2kvz n GLU 60 Cb 0.63 -1.47 -0.09 0.00 0.27 0.00 0.00 31.44 30.77 2kvz n GLU 60 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2kvz s SER 61 N 0.98 -0.40 -0.44 4.31 0.01 -0.61 -4.78 113.70 112.78 2kvz s SER 61 Ca 0.25 1.02 -0.35 0.00 1.31 0.00 0.00 55.95 58.18 2kvz s SER 61 Cb 0.17 1.25 -0.13 0.00 0.21 0.00 0.00 66.02 67.53 2kvz s SER 61 CO -0.02 -0.22 2.25 -2.65 0.41 0.00 0.00 173.24 173.01 2kvz n PRO 62 N 5.05 0.86 -2.42 12.44 -0.02 -1.18 -4.84 135.00 144.89 2kvz n PRO 62 Ca -0.13 0.21 -0.26 0.00 -2.02 0.00 0.00 63.50 61.29 2kvz n PRO 62 Cb 0.51 -2.36 0.03 0.00 -0.02 0.00 0.00 33.50 31.67 2kvz n PRO 62 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2kvz s GLN 63 N 6.64 2.88 -0.19 -0.52 -0.21 -1.17 -4.88 119.66 122.21 2kvz s GLN 63 Ca 1.12 -0.06 -0.01 0.00 0.02 0.00 0.00 55.36 56.43 2kvz s GLN 63 Cb -0.90 -2.29 0.05 0.00 1.00 0.00 0.00 33.01 30.88 2kvz s GLN 63 CO 0.49 -0.71 -0.02 0.99 -2.12 0.00 0.00 175.29 173.92 2kvz s THR 64 N -2.98 0.97 -0.52 -0.19 2.01 -1.26 -0.03 115.64 113.65 2kvz s THR 64 Ca 0.54 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.60 2kvz s THR 64 Cb -0.11 -1.30 0.05 0.00 0.01 0.00 0.00 72.50 71.16 2kvz s THR 64 CO 0.45 -0.06 0.70 -0.63 -0.69 0.00 0.00 174.62 174.39 2kvz s ILE 65 N 1.67 4.75 -0.66 1.82 -1.09 0.25 -4.96 121.20 122.99 2kvz s ILE 65 Ca -0.02 -0.30 -0.20 0.00 -2.23 0.00 0.00 60.65 57.90 2kvz s ILE 65 Cb -0.17 -4.36 0.10 0.00 -1.58 0.00 0.00 42.46 36.45 2kvz s ILE 65 CO -0.07 -0.88 0.84 0.54 -1.23 0.00 0.00 174.94 174.13 2kvz s ASN 66 N 2.73 6.24 -0.63 3.58 4.22 -1.26 -0.08 114.94 129.74 2kvz s ASN 66 Ca 0.19 -1.39 -0.19 0.00 -2.14 0.00 0.00 52.86 49.33 2kvz s ASN 66 Cb -0.18 -2.35 0.11 0.00 1.28 0.00 0.00 41.25 40.12 2kvz s ASN 66 CO 0.14 -1.20 0.76 -0.63 -2.04 0.00 0.00 177.10 174.12 2kvz s ILE 67 N 3.06 4.82 -0.38 0.54 1.01 -0.01 -4.45 121.20 125.78 2kvz s ILE 67 Ca 0.17 -1.07 -0.19 0.00 0.00 0.00 0.00 60.65 59.57 2kvz s ILE 67 Cb -0.19 -4.53 0.01 0.00 0.01 0.00 0.00 42.46 37.76 2kvz s ILE 67 CO 0.05 -1.18 0.53 -0.63 0.00 0.00 0.00 174.94 173.72 2kvz s ILE 68 N 2.65 4.98 -0.16 2.92 1.01 -1.26 0.13 121.20 131.48 2kvz s ILE 68 Ca 0.14 0.17 -0.10 0.00 0.00 0.00 0.00 60.65 60.85 2kvz s ILE 68 Cb -0.22 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.17 2kvz s ILE 68 CO 0.05 -0.34 0.19 -0.31 0.00 0.00 0.00 174.94 174.52 2kvz s TYR 69 N 2.45 3.48 -0.19 3.97 2.02 0.14 -2.01 117.35 127.22 2kvz s TYR 69 Ca 0.18 0.48 -0.07 0.00 -0.37 0.00 0.00 57.07 57.29 2kvz s TYR 69 Cb -0.15 -2.16 -0.04 0.00 -0.40 0.00 0.00 41.96 39.21 2kvz s TYR 69 CO 0.15 0.40 0.06 -1.14 -1.57 0.00 0.00 175.55 173.45 2kvz s GLN 70 N -0.02 3.95 0.52 -0.62 0.74 0.28 -3.25 119.66 121.26 2kvz s GLN 70 Ca 0.13 -0.36 -0.22 0.00 0.05 0.00 0.00 55.36 54.95 2kvz s GLN 70 Cb -0.12 -3.21 -0.06 0.00 1.10 0.00 0.00 33.01 30.73 2kvz s GLN 70 CO 0.02 0.24 1.35 0.21 -0.55 0.00 0.00 175.29 176.56 2kvz s LYS 71 N 0.44 3.27 0.20 1.67 2.20 -1.26 0.28 119.74 126.54 2kvz s LYS 71 Ca 0.03 2.23 -0.09 0.00 -0.36 0.00 0.00 55.97 57.78 2kvz s LYS 71 Cb -0.13 -2.33 0.12 0.00 -1.51 0.00 0.00 37.83 33.98 2kvz s LYS 71 CO 0.01 -1.08 1.72 0.87 -0.36 0.00 0.00 175.35 176.51 2kvz h LYS 72 N 1.63 1.13 -5.47 4.03 1.79 -1.80 -3.45 116.57 114.44 2kvz h LYS 72 Ca -0.51 -0.26 -0.05 0.00 -2.18 0.00 0.00 60.65 57.65 2kvz h LYS 72 Cb 1.29 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 2kvz h LYS 72 CO 0.58 0.98 -0.48 0.00 -1.08 0.00 0.00 179.45 179.46 2kvz n ALA 73 N -2.45 -2.83 0.77 3.86 0.00 -1.26 -4.87 120.51 113.73 2kvz n ALA 73 Ca 0.05 0.80 0.00 0.00 0.00 0.00 0.00 53.44 54.30 2kvz n ALA 73 Cb 0.24 -3.06 0.05 0.00 0.00 0.00 0.00 19.45 16.68 2kvz n ALA 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2kvz n PRO 74 N -0.69 1.43 -3.62 0.00 -0.04 -1.26 -4.65 135.00 126.17 2kvz n PRO 74 Ca 0.06 -0.37 -0.03 0.00 -0.04 0.00 0.00 63.50 63.12 2kvz n PRO 74 Cb 0.50 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.36 2kvz n PRO 74 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2kvz s GLU 75 N -1.12 0.58 0.78 0.54 2.12 -1.26 -5.17 118.70 115.17 2kvz s GLU 75 Ca 0.06 1.26 -0.12 0.00 0.36 0.00 0.00 54.97 56.54 2kvz s GLU 75 Cb 0.05 0.54 0.06 0.00 0.26 0.00 0.00 34.13 35.03 2kvz s GLU 75 CO 0.02 -0.17 1.11 -0.65 -0.54 0.00 0.00 175.26 175.03 2kvz s GLN 76 N 2.33 2.26 0.00 4.30 -0.21 -1.26 -4.94 119.66 122.14 2kvz s GLN 76 Ca -0.07 0.48 0.22 0.00 0.02 0.00 0.00 55.36 56.01 2kvz s GLN 76 Cb -0.09 -1.95 1.24 0.00 1.00 0.00 0.00 33.01 33.21 2kvz s GLN 76 CO -0.19 -1.46 1.81 0.00 -2.12 0.00 0.00 175.29 173.33 2kvz n ALA 77 N -3.30 2.62 0.21 6.09 0.00 -1.26 -2.98 120.51 121.88 2kvz n ALA 77 Ca 0.07 -0.19 0.11 0.00 0.00 0.00 0.00 53.44 53.43 2kvz n ALA 77 Cb 0.57 -1.32 0.18 0.00 0.00 0.00 0.00 19.45 18.88 2kvz n ALA 77 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2kvz h LEU 78 N 0.33 0.00 -9.44 0.00 3.38 -2.06 -3.45 115.31 104.07 2kvz h LEU 78 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2kvz h LEU 78 Cb 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2kvz h LEU 78 CO 0.00 0.10 0.31 -1.61 0.09 0.00 0.00 178.44 177.33 2kvz s GLU 79 N -3.20 4.56 0.07 1.13 0.41 -1.16 -4.75 118.70 115.76 2kvz s GLU 79 Ca 0.06 1.33 0.00 0.00 -0.41 0.00 0.00 54.97 55.95 2kvz s GLU 79 Cb 0.06 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 28.97 2kvz s GLU 79 CO 0.68 0.03 0.00 0.72 -0.49 0.00 0.00 175.26 176.20 2kvz n HIS 80 N 3.63 -1.47 -2.92 1.61 8.25 -1.26 -4.95 115.22 118.11 2kvz n HIS 80 Ca 0.04 0.87 -0.41 0.00 -0.26 0.00 0.00 57.72 57.95 2kvz n HIS 80 Cb 0.51 -2.45 -0.04 0.00 1.12 0.00 0.00 29.99 29.13 2kvz n HIS 80 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kvz s HIS 81 N -0.34 3.38 0.27 4.41 3.76 -1.26 -5.05 115.29 120.46 2kvz s HIS 81 Ca 0.00 1.18 0.12 0.00 -0.15 0.00 0.00 55.06 56.21 2kvz s HIS 81 Cb 0.00 -3.00 -0.05 0.00 1.11 0.00 0.00 32.58 30.64 2kvz s HIS 81 CO 0.00 -0.28 -0.19 -1.01 -0.85 0.00 0.00 174.74 172.41 2kvz s HIS 82 N 2.33 2.33 -0.06 1.40 3.76 -1.26 -5.04 115.29 118.76 2kvz s HIS 82 Ca 0.36 -0.32 0.21 0.00 -0.15 0.00 0.00 55.06 55.16 2kvz s HIS 82 Cb -0.16 -1.03 0.55 0.00 1.11 0.00 0.00 32.58 33.05 2kvz s HIS 82 CO 0.11 0.68 1.67 0.45 -0.85 0.00 0.00 174.74 176.79 2kvz h HIS 83 N 2.36 0.00 -3.53 1.40 3.86 -2.06 -3.43 115.15 113.76 2kvz h HIS 83 Ca -0.41 0.00 -0.66 0.00 -1.16 0.00 0.00 60.37 58.13 2kvz h HIS 83 Cb 1.25 0.00 -0.24 0.00 1.06 0.00 0.00 27.41 29.48 2kvz h HIS 83 CO 0.78 0.28 -0.74 -1.01 0.86 0.00 0.00 177.93 178.10 2kvz s HIS 84 N -3.34 2.83 -1.67 2.45 3.76 -1.26 -5.36 115.29 112.70 2kvz s HIS 84 Ca 0.03 -0.40 0.13 0.00 -0.15 0.00 0.00 55.06 54.67 2kvz s HIS 84 Cb 0.08 -1.79 0.11 0.00 1.11 0.00 0.00 32.58 32.09 2kvz s HIS 84 CO 0.68 -0.03 0.92 0.72 -0.85 0.00 0.00 174.74 176.18