#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 -0.42 0.03 7.83 2.15 -1.26 -5.06 116.67 119.95 2kvz s ASP 2 Ca 0.00 0.27 0.02 0.00 0.43 0.00 0.00 52.55 53.27 2kvz s ASP 2 Cb 0.00 0.45 -0.25 0.00 -0.30 0.00 0.00 42.92 42.82 2kvz s ASP 2 CO 0.00 -0.62 0.96 0.15 -0.17 0.00 0.00 175.17 175.49 2kvz h PHE 3 N 3.13 0.28 0.00 -5.34 3.57 -2.09 -3.50 116.94 112.99 2kvz h PHE 3 Ca -0.30 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.00 2kvz h PHE 3 Cb 1.18 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.91 2kvz h PHE 3 CO 0.41 1.22 0.00 0.41 -2.23 0.00 0.00 178.31 178.13 2kvz n GLY 4 N 1.56 0.29 2.99 2.40 0.00 -1.26 -5.03 105.19 106.15 2kvz n GLY 4 Ca -0.12 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.57 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 0.00 1.33 -0.18 1.61 1.02 -1.26 -5.11 119.74 117.15 2kvz s LYS 5 Ca 0.00 -0.32 -0.29 0.00 0.02 0.00 0.00 55.97 55.38 2kvz s LYS 5 Cb 0.00 -1.16 -0.00 0.00 -0.52 0.00 0.00 37.83 36.14 2kvz s LYS 5 CO 0.00 0.02 1.07 -2.14 -0.92 0.00 0.00 175.35 173.38 2kvz s PRO 6 N 0.62 4.30 -1.22 -1.68 0.02 -1.21 -4.67 135.00 131.16 2kvz s PRO 6 Ca -0.12 1.43 -0.18 0.00 0.02 0.00 0.00 61.00 62.15 2kvz s PRO 6 Cb -0.14 -3.63 -0.02 0.00 0.02 0.00 0.00 34.50 30.73 2kvz s PRO 6 CO 0.02 -0.55 1.98 0.27 -0.33 0.00 0.00 177.00 178.39 2kvz n ASN 7 N 5.97 3.73 -4.01 2.53 6.94 -1.20 -3.75 115.26 125.48 2kvz n ASN 7 Ca 0.11 -2.80 -0.30 0.00 -0.02 0.00 0.00 54.58 51.57 2kvz n ASN 7 Cb 0.47 -1.57 -0.16 0.00 -2.36 0.00 0.00 39.78 36.15 2kvz n ASN 7 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 2kvz s GLN 8 N 4.40 2.16 -0.25 -3.83 -0.21 -1.26 -3.99 119.66 116.68 2kvz s GLN 8 Ca 0.55 -0.71 -0.23 0.00 0.02 0.00 0.00 55.36 54.99 2kvz s GLN 8 Cb 0.09 -2.27 -0.01 0.00 1.00 0.00 0.00 33.01 31.82 2kvz s GLN 8 CO 0.04 -0.34 0.76 0.08 -2.12 0.00 0.00 175.29 173.71 2kvz s VAL 9 N 1.44 4.88 -0.68 1.09 1.01 0.81 -3.58 120.40 125.37 2kvz s VAL 9 Ca 0.02 1.38 -0.21 0.00 0.00 0.00 0.00 61.98 63.17 2kvz s VAL 9 Cb -0.15 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.26 2kvz s VAL 9 CO -0.09 -0.05 0.94 -0.89 0.00 0.00 0.00 175.10 175.00 2kvz s THR 10 N 2.74 4.46 -0.31 3.92 2.01 0.14 0.05 115.64 128.65 2kvz s THR 10 Ca 0.32 -0.63 -0.20 0.00 0.31 0.00 0.00 61.69 61.48 2kvz s THR 10 Cb -0.15 -4.67 -0.01 0.00 0.01 0.00 0.00 72.50 67.68 2kvz s THR 10 CO 0.08 -1.41 0.61 -0.69 -0.69 0.00 0.00 174.62 172.52 2kvz s VAL 11 N 3.65 4.95 -0.04 3.82 1.01 0.11 -0.31 120.40 133.59 2kvz s VAL 11 Ca 0.22 0.78 0.06 0.00 0.00 0.00 0.00 61.98 63.03 2kvz s VAL 11 Cb -0.16 -4.00 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 2kvz s VAL 11 CO 0.07 -0.16 -0.21 0.20 0.00 0.00 0.00 175.10 175.00 2kvz s ASN 12 N 1.67 2.59 -0.32 3.32 0.02 -0.49 -0.89 114.94 120.85 2kvz s ASN 12 Ca 0.24 -0.42 -0.09 0.00 -1.02 0.00 0.00 52.86 51.58 2kvz s ASN 12 Cb -0.15 -0.55 0.00 0.00 0.02 0.00 0.00 41.25 40.57 2kvz s ASN 12 CO 0.12 0.23 0.14 -0.31 0.02 0.00 0.00 177.10 177.29 2kvz s TYR 13 N -0.24 3.18 0.20 2.20 1.51 -1.26 -0.24 117.35 122.70 2kvz s TYR 13 Ca 0.01 -0.77 0.01 0.00 -1.01 0.00 0.00 57.07 55.32 2kvz s TYR 13 Cb -0.11 -2.33 -0.04 0.00 -0.11 0.00 0.00 41.96 39.37 2kvz s TYR 13 CO 0.01 -0.53 0.36 -0.51 -1.11 0.00 0.00 175.55 173.78 2kvz s LEU 14 N 1.57 4.26 -0.09 -1.29 1.43 0.11 -1.38 118.68 123.28 2kvz s LEU 14 Ca 0.03 0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 53.32 2kvz s LEU 14 Cb -0.17 -3.04 -0.28 0.00 0.03 0.00 0.00 46.19 42.72 2kvz s LEU 14 CO 0.05 -0.03 0.49 -2.24 0.23 0.00 0.00 176.35 174.84 2kvz h ASP 15 N 1.83 0.50 0.00 2.29 2.03 -1.57 -0.51 116.42 120.98 2kvz h ASP 15 Ca -0.49 -0.95 0.00 0.00 -0.73 0.00 0.00 57.03 54.86 2kvz h ASP 15 Cb 1.20 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 39.54 2kvz h ASP 15 CO 0.67 1.83 0.00 1.21 -1.03 0.00 0.00 179.24 181.92 2kvz n GLU 16 N -3.54 0.00 -0.63 4.15 2.13 -1.25 -3.72 120.64 117.77 2kvz n GLU 16 Ca -0.29 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.62 2kvz n GLU 16 Cb 1.05 0.00 0.35 0.00 0.27 0.00 0.00 31.44 33.12 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 0.00 4.74 -0.98 4.31 3.02 -1.26 -4.88 115.26 120.20 2kvz n ASN 17 Ca 0.00 -2.49 -0.10 0.00 -0.03 0.00 0.00 54.58 51.96 2kvz n ASN 17 Cb 0.00 -0.59 -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 1.03 -3.89 -4.59 6.41 3.02 -1.26 -4.99 115.26 110.98 2kvz n ASN 18 Ca 0.25 0.13 -0.41 0.00 -0.03 0.00 0.00 54.58 54.52 2kvz n ASN 18 Cb 0.90 -2.70 -0.06 0.00 -0.61 0.00 0.00 39.78 37.31 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 -2.45 4.92 -0.70 3.41 2.01 -1.26 -4.90 115.64 116.66 2kvz s THR 19 Ca 0.00 0.81 -0.26 0.00 0.31 0.00 0.00 61.69 62.56 2kvz s THR 19 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.46 2kvz s THR 19 CO 0.00 -0.18 1.86 -0.55 -0.69 0.00 0.00 174.62 175.05 2kvz s SER 20 N 1.67 5.28 0.52 3.53 0.15 -1.26 -1.79 113.70 121.81 2kvz s SER 20 Ca 0.25 0.01 0.31 0.00 0.70 0.00 0.00 55.95 57.22 2kvz s SER 20 Cb -0.15 -2.54 1.29 0.00 -1.71 0.00 0.00 66.02 62.92 2kvz s SER 20 CO 0.12 -2.45 1.96 0.16 1.20 0.00 0.00 173.24 174.24 2kvz h ILE 21 N 6.96 0.19 -3.96 6.45 3.07 -1.55 -3.42 117.51 125.25 2kvz h ILE 21 Ca -0.16 -0.66 -0.57 0.00 1.55 0.00 0.00 64.86 65.02 2kvz h ILE 21 Cb 1.11 1.55 -0.22 0.00 -0.27 0.00 0.00 36.82 38.99 2kvz h ILE 21 CO 1.22 0.07 -0.83 0.00 -1.05 0.00 0.00 178.15 177.56 2kvz s ALA 22 N -3.72 1.86 0.78 0.16 0.00 -1.25 -5.08 121.76 114.50 2kvz s ALA 22 Ca 0.00 -1.25 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 2kvz s ALA 22 Cb 0.10 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.00 2kvz s ALA 22 CO 0.57 0.38 1.10 -0.35 0.00 0.00 0.00 175.76 177.46 2kvz n PRO 23 N 1.16 0.32 -1.74 0.00 -0.04 -1.26 -4.44 135.00 129.00 2kvz n PRO 23 Ca -0.19 0.18 -0.43 0.00 -0.04 0.00 0.00 63.50 63.02 2kvz n PRO 23 Cb 0.53 -2.35 -0.03 0.00 -0.04 0.00 0.00 33.50 31.61 2kvz n PRO 23 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kvz s SER 24 N -1.92 5.96 -0.36 3.54 0.15 -1.26 -4.79 113.70 115.02 2kvz s SER 24 Ca 0.73 2.07 -0.21 0.00 0.70 0.00 0.00 55.95 59.24 2kvz s SER 24 Cb -0.31 -2.52 0.01 0.00 -1.71 0.00 0.00 66.02 61.48 2kvz s SER 24 CO 0.51 -1.53 0.66 -0.22 1.20 0.00 0.00 173.24 173.86 2kvz s LEU 25 N 6.43 4.25 -0.55 3.45 2.96 -0.06 -4.94 118.68 130.21 2kvz s LEU 25 Ca 0.90 0.15 -0.19 0.00 -0.22 0.00 0.00 54.13 54.78 2kvz s LEU 25 Cb -0.34 -2.82 0.08 0.00 0.50 0.00 0.00 46.19 43.61 2kvz s LEU 25 CO 0.36 -0.63 0.66 -0.31 -1.32 0.00 0.00 176.35 175.10 2kvz s TYR 26 N 2.79 3.03 -0.60 5.38 2.02 -1.26 0.09 117.35 128.80 2kvz s TYR 26 Ca 0.25 -0.80 -0.23 0.00 -0.37 0.00 0.00 57.07 55.92 2kvz s TYR 26 Cb -0.14 -3.79 0.05 0.00 -0.40 0.00 0.00 41.96 37.69 2kvz s TYR 26 CO 0.15 -1.17 0.94 -1.17 -1.57 0.00 0.00 175.55 172.74 2kvz s LEU 27 N 2.60 4.23 -0.11 -1.29 2.96 0.11 -4.87 118.68 122.31 2kvz s LEU 27 Ca 0.12 -0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 53.37 2kvz s LEU 27 Cb -0.22 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.82 2kvz s LEU 27 CO 0.08 -1.32 -0.08 -0.94 -1.32 0.00 0.00 176.35 172.77 2kvz s SER 28 N 3.21 4.50 0.00 3.68 1.04 -1.26 -0.13 113.70 124.73 2kvz s SER 28 Ca 0.26 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.55 2kvz s SER 28 Cb -0.15 -1.45 0.00 0.00 0.10 0.00 0.00 66.02 64.52 2kvz s SER 28 CO 0.15 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.23 2kvz n GLY 29 N 2.97 4.77 3.76 7.32 0.00 -1.26 -5.05 105.19 117.70 2kvz n GLY 29 Ca -0.18 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 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 3.85 0.33 0.99 1.43 -1.26 -5.01 118.68 119.01 2kvz s LEU 30 Ca 0.00 0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.00 2kvz s LEU 30 Cb 0.00 -2.09 -0.11 0.00 0.03 0.00 0.00 46.19 44.03 2kvz s LEU 30 CO 0.00 0.33 1.44 0.12 0.23 0.00 0.00 176.35 178.47 2kvz s PHE 31 N -1.07 2.81 0.00 0.29 5.36 -1.26 -2.23 117.98 121.88 2kvz s PHE 31 Ca 0.19 1.16 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 2kvz s PHE 31 Cb -0.12 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.66 2kvz s PHE 31 CO 0.09 -2.70 0.00 -1.71 -1.46 0.00 0.00 175.22 169.43 2kvz n ASN 32 N 1.08 -1.33 -4.81 6.13 5.15 0.14 -4.92 115.26 116.69 2kvz n ASN 32 Ca 0.03 0.00 -0.36 0.00 -0.60 0.00 0.00 54.58 53.64 2kvz n ASN 32 Cb 0.40 -0.98 -0.07 0.00 -0.53 0.00 0.00 39.78 38.60 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 -0.41 3.59 0.53 1.20 2.56 -0.95 -4.71 118.70 120.53 2kvz s GLU 33 Ca 0.00 -0.19 -0.20 0.00 0.00 0.00 0.00 54.97 54.58 2kvz s GLU 33 Cb 0.00 -3.20 -0.06 0.00 2.00 0.00 0.00 34.13 32.87 2kvz s GLU 33 CO 0.00 0.63 1.11 0.00 -0.56 0.00 0.00 175.26 176.45 2kvz s ALA 34 N -0.62 2.72 0.24 6.30 0.00 -1.26 0.23 121.76 129.38 2kvz s ALA 34 Ca 0.12 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.89 2kvz s ALA 34 Cb -0.12 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 2kvz s ALA 34 CO 0.02 -0.69 0.03 1.52 0.00 0.00 0.00 175.76 176.64 2kvz s TYR 35 N -1.82 1.56 -0.08 0.00 -0.85 0.10 -4.84 117.35 111.41 2kvz s TYR 35 Ca 0.72 -1.01 0.04 0.00 -0.52 0.00 0.00 57.07 56.30 2kvz s TYR 35 Cb -0.22 -0.92 -0.00 0.00 0.38 0.00 0.00 41.96 41.20 2kvz s TYR 35 CO 0.26 -0.14 -0.22 -0.80 -1.52 0.00 0.00 175.55 173.13 2kvz s ASN 36 N -3.31 2.83 -0.29 -0.18 0.01 -1.26 -4.13 114.94 108.61 2kvz s ASN 36 Ca 0.31 -0.50 -0.12 0.00 -0.71 0.00 0.00 52.86 51.84 2kvz s ASN 36 Cb 0.07 -1.15 -0.04 0.00 0.41 0.00 0.00 41.25 40.53 2kvz s ASN 36 CO 0.10 0.16 0.23 -0.69 -1.51 0.00 0.00 177.10 175.39 2kvz s VAL 37 N 0.26 5.28 -0.00 1.60 1.01 -1.26 -5.05 120.40 122.23 2kvz s VAL 37 Ca -0.14 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 2kvz s VAL 37 Cb -0.16 -3.59 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 2kvz s VAL 37 CO 0.07 0.20 1.50 -2.84 0.00 0.00 0.00 175.10 174.02 2kvz s PRO 38 N 1.82 4.24 -0.15 2.72 0.02 -1.26 -4.92 135.00 137.47 2kvz s PRO 38 Ca 0.09 2.07 -0.23 0.00 0.02 0.00 0.00 61.00 62.95 2kvz s PRO 38 Cb -0.16 -3.67 -0.20 0.00 0.02 0.00 0.00 34.50 30.49 2kvz s PRO 38 CO 0.11 -0.67 0.49 0.52 -0.33 0.00 0.00 177.00 177.12 2kvz h MET 39 N 8.28 0.00 -1.94 5.54 2.86 -2.05 -3.51 114.93 124.11 2kvz h MET 39 Ca -0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2kvz h MET 39 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 2kvz h MET 39 CO 0.92 0.84 -0.48 1.17 1.06 0.00 0.00 176.91 180.42 2kvz n LYS 40 N -4.58 -2.31 -2.65 1.72 4.81 -1.26 -4.72 118.16 109.17 2kvz n LYS 40 Ca -0.15 1.74 -0.42 0.00 -0.87 0.00 0.00 58.31 58.62 2kvz n LYS 40 Cb 0.47 -2.03 -0.03 0.00 0.02 0.00 0.00 35.03 33.46 2kvz n LYS 40 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2kvz s LYS 41 N -4.79 3.38 0.31 1.64 2.20 -1.26 -5.00 119.74 116.23 2kvz s LYS 41 Ca 0.00 -0.87 -0.28 0.00 -0.36 0.00 0.00 55.97 54.46 2kvz s LYS 41 Cb 0.00 -4.73 -0.09 0.00 -1.51 0.00 0.00 37.83 31.49 2kvz s LYS 41 CO 0.00 -2.07 1.11 0.42 -0.36 0.00 0.00 175.35 174.45 2kvz s ILE 42 N 4.79 3.44 -0.64 5.43 1.01 -1.26 -4.87 121.20 129.10 2kvz s ILE 42 Ca 0.37 1.37 -0.26 0.00 0.00 0.00 0.00 60.65 62.13 2kvz s ILE 42 Cb -0.06 -3.84 -0.09 0.00 0.01 0.00 0.00 42.46 38.48 2kvz s ILE 42 CO 0.01 0.26 2.36 -0.54 0.00 0.00 0.00 174.94 177.04 2kvz s LYS 43 N -1.72 1.93 -0.09 2.79 1.02 -1.26 -2.00 119.74 120.42 2kvz s LYS 43 Ca 0.48 0.92 -0.00 0.00 0.02 0.00 0.00 55.97 57.39 2kvz s LYS 43 Cb -0.31 -4.68 0.00 0.00 -0.52 0.00 0.00 37.83 32.33 2kvz s LYS 43 CO 0.39 -3.75 0.04 0.41 -0.92 0.00 0.00 175.35 171.53 2kvz n GLY 44 N 6.36 0.68 3.17 -3.33 0.00 -1.26 -4.98 105.19 105.84 2kvz n GLY 44 Ca 0.40 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.69 2.03 -0.11 1.61 1.51 -0.85 -0.67 117.35 118.19 2kvz s TYR 45 Ca 0.02 -0.66 -0.05 0.00 -1.01 0.00 0.00 57.07 55.37 2kvz s TYR 45 Cb -0.01 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.44 2kvz s TYR 45 CO 0.03 -0.24 0.09 0.99 -1.11 0.00 0.00 175.55 175.31 2kvz s THR 46 N 0.10 5.10 -0.24 -0.71 2.01 0.12 -4.69 115.64 117.33 2kvz s THR 46 Ca -0.08 0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 2kvz s THR 46 Cb -0.14 -3.20 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 2kvz s THR 46 CO 0.04 0.61 1.71 -0.22 -0.69 0.00 0.00 174.62 176.06 2kvz s LEU 47 N -0.93 3.79 -0.04 4.42 2.96 -1.26 0.92 118.68 128.54 2kvz s LEU 47 Ca 0.14 1.59 -0.25 0.00 -0.22 0.00 0.00 54.13 55.38 2kvz s LEU 47 Cb -0.12 -3.53 -0.20 0.00 0.50 0.00 0.00 46.19 42.85 2kvz s LEU 47 CO 0.03 -1.40 1.14 0.25 -1.32 0.00 0.00 176.35 175.05 2kvz h LEU 48 N 12.34 -0.06 0.00 -0.68 5.85 -1.40 -3.46 115.31 127.89 2kvz h LEU 48 Ca -0.35 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 57.89 2kvz h LEU 48 Cb 1.16 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2kvz h LEU 48 CO 1.01 0.48 0.00 1.17 -0.34 0.00 0.00 178.44 180.75 2kvz n LYS 49 N -4.87 0.00 -4.84 1.25 3.00 -0.83 -5.05 118.16 106.82 2kvz n LYS 49 Ca -0.09 0.00 -0.33 0.00 -0.00 0.00 0.00 58.31 57.90 2kvz n LYS 49 Cb 0.28 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.16 2kvz n LYS 49 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2kvz s TYR 50 N -0.82 2.77 0.03 5.64 1.13 -1.26 -2.79 117.35 122.05 2kvz s TYR 50 Ca 0.00 -0.66 -0.18 0.00 -1.41 0.00 0.00 57.07 54.82 2kvz s TYR 50 Cb 0.00 -1.81 -0.10 0.00 -1.10 0.00 0.00 41.96 38.95 2kvz s TYR 50 CO 0.00 -0.21 1.22 0.22 -2.51 0.00 0.00 175.55 174.27 2kvz h ASP 51 N 6.61 -0.56 -1.91 -0.18 3.58 -1.99 -3.46 116.42 118.51 2kvz h ASP 51 Ca -0.26 0.02 -0.58 0.00 0.42 0.00 0.00 57.03 56.63 2kvz h ASP 51 Cb 1.21 0.14 -0.10 0.00 1.72 0.00 0.00 39.33 42.30 2kvz h ASP 51 CO 0.54 -0.39 -0.60 -0.44 -2.88 0.00 0.00 179.24 175.47 2kvz s SER 52 N -3.08 4.26 0.19 2.28 0.01 -1.26 -5.08 113.70 111.03 2kvz s SER 52 Ca -0.10 -0.96 -0.33 0.00 1.31 0.00 0.00 55.95 55.88 2kvz s SER 52 Cb 0.01 -0.56 -0.13 0.00 0.21 0.00 0.00 66.02 65.55 2kvz s SER 52 CO 0.29 -0.25 1.65 -0.62 0.41 0.00 0.00 173.24 174.72 2kvz n GLU 53 N -0.99 2.49 0.01 12.44 -0.58 -1.26 -4.88 120.64 127.88 2kvz n GLU 53 Ca -0.04 0.90 0.14 0.00 -0.42 0.00 0.00 57.16 57.73 2kvz n GLU 53 Cb 0.62 -2.70 0.56 0.00 -0.57 0.00 0.00 31.44 29.35 2kvz n GLU 53 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 2kvz n ILE 54 N 3.60 0.08 -2.82 -3.67 -5.35 -1.26 -4.70 119.36 105.24 2kvz n ILE 54 Ca 0.16 -0.04 -0.43 0.00 -0.27 0.00 0.00 62.75 62.17 2kvz n ILE 54 Cb 0.32 -0.45 -0.04 0.00 -1.74 0.00 0.00 39.64 37.73 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 -3.21 4.00 0.00 7.28 1.98 -1.26 -4.49 118.68 122.97 2kvz s LEU 55 Ca 0.13 0.40 -0.03 0.00 -2.89 0.00 0.00 54.13 51.74 2kvz s LEU 55 Cb 0.18 -3.23 0.01 0.00 0.66 0.00 0.00 46.19 43.81 2kvz s LEU 55 CO 0.55 -0.92 0.16 0.61 -1.89 0.00 0.00 176.35 174.86 2kvz n GLY 56 N 4.60 1.73 3.59 7.98 0.00 -1.26 -5.05 105.19 116.78 2kvz n GLY 56 Ca 0.07 -1.05 -0.27 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.79 3.30 -0.65 1.61 -7.23 -1.26 -0.73 120.40 112.65 2kvz s VAL 57 Ca 0.03 -1.58 -0.26 0.00 -1.81 0.00 0.00 61.98 58.36 2kvz s VAL 57 Cb -0.01 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.27 2kvz s VAL 57 CO 0.02 -0.09 1.90 -0.36 -0.31 0.00 0.00 175.10 176.26 2kvz s PHE 58 N -1.67 1.66 0.78 2.82 0.08 0.14 -4.87 117.98 116.91 2kvz s PHE 58 Ca 0.25 0.80 -0.07 0.00 0.12 0.00 0.00 56.93 58.03 2kvz s PHE 58 Cb -0.09 -4.06 0.13 0.00 -0.57 0.00 0.00 43.02 38.42 2kvz s PHE 58 CO 0.16 -2.23 1.09 0.95 -0.10 0.00 0.00 175.22 175.08 2kvz s THR 59 N 9.37 2.16 0.23 0.64 -4.23 -1.26 0.27 115.64 122.82 2kvz s THR 59 Ca 0.69 -0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.84 2kvz s THR 59 Cb -0.12 -2.82 0.04 0.00 1.34 0.00 0.00 72.50 70.94 2kvz s THR 59 CO 0.18 0.00 1.66 -0.33 -0.54 0.00 0.00 174.62 175.58 2kvz h GLU 60 N -0.85 0.69 -6.27 3.99 5.08 -1.91 -3.39 114.58 111.92 2kvz h GLU 60 Ca -0.41 -0.27 -0.55 0.00 -1.00 0.00 0.00 59.36 57.13 2kvz h GLU 60 Cb 1.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2kvz h GLU 60 CO 0.46 0.86 0.98 -1.12 -1.00 0.00 0.00 179.01 179.19 2kvz s SER 61 N -6.77 6.77 -0.33 1.42 0.01 -1.26 -3.21 113.70 110.33 2kvz s SER 61 Ca -0.09 2.09 -0.27 0.00 1.31 0.00 0.00 55.95 58.99 2kvz s SER 61 Cb 0.13 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 2kvz s SER 61 CO 0.82 -0.84 2.31 -2.84 0.41 0.00 0.00 173.24 173.10 2kvz s PRO 62 N 3.49 2.69 -0.20 12.44 0.02 -1.25 -4.75 135.00 147.44 2kvz s PRO 62 Ca 0.67 1.78 -0.24 0.00 0.02 0.00 0.00 61.00 63.23 2kvz s PRO 62 Cb -0.30 -4.47 -0.01 0.00 0.02 0.00 0.00 34.50 29.74 2kvz s PRO 62 CO 0.25 -2.61 0.79 -0.65 -0.33 0.00 0.00 177.00 174.45 2kvz s GLN 63 N 7.17 4.24 -0.49 5.54 -0.21 -1.23 -4.81 119.66 129.86 2kvz s GLN 63 Ca 1.00 0.91 -0.18 0.00 0.02 0.00 0.00 55.36 57.10 2kvz s GLN 63 Cb -0.26 -3.60 0.06 0.00 1.00 0.00 0.00 33.01 30.21 2kvz s GLN 63 CO 0.31 -0.37 0.54 0.99 -2.12 0.00 0.00 175.29 174.64 2kvz s THR 64 N 2.33 5.00 -0.66 -0.19 2.01 -1.26 0.28 115.64 123.15 2kvz s THR 64 Ca 0.35 -0.66 -0.16 0.00 0.31 0.00 0.00 61.69 61.54 2kvz s THR 64 Cb -0.16 -4.23 0.15 0.00 0.01 0.00 0.00 72.50 68.27 2kvz s THR 64 CO 0.10 -0.71 0.65 -0.63 -0.69 0.00 0.00 174.62 173.34 2kvz s ILE 65 N 2.30 5.25 -0.88 1.82 1.01 0.58 -4.97 121.20 126.31 2kvz s ILE 65 Ca 0.12 -1.73 -0.22 0.00 0.00 0.00 0.00 60.65 58.81 2kvz s ILE 65 Cb -0.21 -4.43 0.07 0.00 0.01 0.00 0.00 42.46 37.91 2kvz s ILE 65 CO 0.10 -0.99 1.24 0.20 0.00 0.00 0.00 174.94 175.49 2kvz s ASN 66 N 3.15 6.42 -0.27 3.58 0.01 -1.26 -1.39 114.94 125.17 2kvz s ASN 66 Ca 0.10 -1.37 -0.27 0.00 -0.71 0.00 0.00 52.86 50.61 2kvz s ASN 66 Cb -0.22 -2.49 0.01 0.00 0.41 0.00 0.00 41.25 38.96 2kvz s ASN 66 CO -0.01 -1.42 0.96 -0.63 -1.51 0.00 0.00 177.10 174.49 2kvz s ILE 67 N 4.28 4.68 -0.36 0.60 1.01 0.67 -4.67 121.20 127.40 2kvz s ILE 67 Ca 0.36 1.70 -0.13 0.00 0.00 0.00 0.00 60.65 62.58 2kvz s ILE 67 Cb -0.06 -4.27 0.00 0.00 0.01 0.00 0.00 42.46 38.14 2kvz s ILE 67 CO -0.02 -0.26 0.24 -0.63 0.00 0.00 0.00 174.94 174.26 2kvz s ILE 68 N 3.22 5.01 0.54 2.92 1.01 -1.12 0.04 121.20 132.82 2kvz s ILE 68 Ca 0.40 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.57 2kvz s ILE 68 Cb -0.14 -3.68 0.10 0.00 0.01 0.00 0.00 42.46 38.75 2kvz s ILE 68 CO 0.10 -0.13 0.75 -1.22 0.00 0.00 0.00 174.94 174.44 2kvz n TYR 69 N 5.08 -2.72 -3.68 3.97 4.02 -0.20 -1.31 117.16 122.32 2kvz n TYR 69 Ca -0.12 -1.61 -0.10 0.00 -0.01 0.00 0.00 57.90 56.06 2kvz n TYR 69 Cb 0.48 -0.53 -0.11 0.00 -0.02 0.00 0.00 39.34 39.16 2kvz n TYR 69 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2kvz s GLN 70 N -4.41 0.32 0.23 -0.72 0.74 0.26 -3.85 119.66 112.24 2kvz s GLN 70 Ca 0.53 0.87 -0.30 0.00 0.05 0.00 0.00 55.36 56.50 2kvz s GLN 70 Cb -0.04 0.11 -0.10 0.00 1.10 0.00 0.00 33.01 34.09 2kvz s GLN 70 CO 0.34 -0.21 1.38 0.21 -0.55 0.00 0.00 175.29 176.46 2kvz s LYS 71 N 1.99 4.32 0.26 1.67 2.20 -1.26 0.11 119.74 129.04 2kvz s LYS 71 Ca -0.05 2.20 0.23 0.00 -0.36 0.00 0.00 55.97 57.98 2kvz s LYS 71 Cb -0.10 -3.14 1.00 0.00 -1.51 0.00 0.00 37.83 34.08 2kvz s LYS 71 CO -0.12 -0.34 1.70 1.63 -0.36 0.00 0.00 175.35 177.86 2kvz n LYS 72 N 2.36 0.18 -1.78 4.03 5.02 0.16 -4.83 118.16 123.30 2kvz n LYS 72 Ca 0.06 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 2kvz n LYS 72 Cb 0.41 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 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 -1.77 -2.36 -1.89 7.82 0.00 -1.26 -4.81 120.51 116.24 2kvz n ALA 73 Ca 0.02 0.32 -0.39 0.00 0.00 0.00 0.00 53.44 53.39 2kvz n ALA 73 Cb 0.20 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.20 2.59 0.08 0.00 0.02 -1.26 -4.97 135.00 130.26 2kvz s PRO 74 Ca 0.00 0.99 0.01 0.00 0.02 0.00 0.00 61.00 62.02 2kvz s PRO 74 Cb 0.00 -4.42 -0.04 0.00 0.02 0.00 0.00 34.50 30.06 2kvz s PRO 74 CO 0.00 -2.75 0.21 -2.00 -0.33 0.00 0.00 177.00 172.13 2kvz s GLU 75 N 7.17 3.37 0.30 5.54 -6.30 -1.26 -5.01 118.70 122.50 2kvz s GLU 75 Ca 0.78 -0.51 0.01 0.00 -2.50 0.00 0.00 54.97 52.76 2kvz s GLU 75 Cb -0.16 -2.98 0.47 0.00 0.00 0.00 0.00 34.13 31.46 2kvz s GLU 75 CO 0.24 0.59 1.82 1.96 0.02 0.00 0.00 175.26 179.89 2kvz h GLN 76 N 2.91 0.66 0.00 4.30 4.20 -2.04 -3.49 115.11 121.66 2kvz h GLN 76 Ca -0.46 -0.16 0.17 0.00 0.06 0.00 0.00 58.65 58.27 2kvz h GLN 76 Cb 1.17 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 28.82 2kvz h GLN 76 CO 0.73 0.67 -0.23 0.00 -0.67 0.00 0.00 178.83 179.34 2kvz n ALA 77 N -2.47 -1.63 -3.72 3.87 0.00 -1.26 -4.65 120.51 110.66 2kvz n ALA 77 Ca 0.02 0.20 -0.37 0.00 0.00 0.00 0.00 53.44 53.29 2kvz n ALA 77 Cb 0.27 -0.56 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 2kvz n ALA 77 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kvz s LEU 78 N 0.00 5.29 0.32 0.00 1.43 -1.26 -5.07 118.68 119.39 2kvz s LEU 78 Ca 0.00 -2.62 -0.29 0.00 -1.03 0.00 0.00 54.13 50.19 2kvz s LEU 78 Cb 0.00 -1.86 -0.10 0.00 0.03 0.00 0.00 46.19 44.25 2kvz s LEU 78 CO 0.00 -0.43 1.39 -0.70 0.23 0.00 0.00 176.35 176.84 2kvz s GLU 79 N 0.28 4.27 0.00 1.70 2.12 -1.26 -4.88 118.70 120.93 2kvz s GLU 79 Ca 0.14 2.33 0.23 0.00 0.36 0.00 0.00 54.97 58.03 2kvz s GLU 79 Cb -0.21 -3.06 1.21 0.00 0.26 0.00 0.00 34.13 32.34 2kvz s GLU 79 CO -0.04 -0.34 1.73 1.58 -0.54 0.00 0.00 175.26 177.65 2kvz n HIS 80 N 1.16 0.00 -5.00 5.30 -0.00 -1.26 -4.59 115.22 110.83 2kvz n HIS 80 Ca 0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 57.72 57.42 2kvz n HIS 80 Cb 0.41 -0.19 -0.15 0.00 -0.00 0.00 0.00 29.99 30.06 2kvz n HIS 80 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kvz s HIS 81 N -2.37 2.64 0.21 1.57 3.76 -1.26 -4.99 115.29 114.85 2kvz s HIS 81 Ca 0.26 -0.59 0.03 0.00 -0.15 0.00 0.00 55.06 54.61 2kvz s HIS 81 Cb 0.15 -1.70 0.16 0.00 1.11 0.00 0.00 32.58 32.30 2kvz s HIS 81 CO 0.31 -0.14 1.50 0.45 -0.85 0.00 0.00 174.74 176.02 2kvz h HIS 82 N 6.17 0.36 -3.19 1.40 3.86 -2.03 -3.40 115.15 118.33 2kvz h HIS 82 Ca -0.32 -0.15 -0.65 0.00 -1.16 0.00 0.00 60.37 58.09 2kvz h HIS 82 Cb 1.19 -0.06 -0.36 0.00 1.06 0.00 0.00 27.41 29.25 2kvz h HIS 82 CO 0.47 0.86 -0.84 -1.01 0.86 0.00 0.00 177.93 178.28 2kvz s HIS 83 N -3.63 2.67 0.37 2.45 0.09 -1.26 -5.03 115.29 110.95 2kvz s HIS 83 Ca -0.04 -1.62 0.10 0.00 -0.00 0.00 0.00 55.06 53.49 2kvz s HIS 83 Cb 0.11 -1.83 0.85 0.00 -0.00 0.00 0.00 32.58 31.72 2kvz s HIS 83 CO 0.81 -0.78 1.90 1.25 -0.00 0.00 0.00 174.74 177.92 2kvz h HIS 84 N 7.95 0.74 0.00 1.40 2.76 -2.01 -3.52 115.15 122.46 2kvz h HIS 84 Ca -0.40 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 57.79 2kvz h HIS 84 Cb 1.13 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.85 2kvz h HIS 84 CO 0.49 0.30 0.00 1.58 -1.30 0.00 0.00 177.93 179.00