#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 6.59 -0.02 7.83 2.15 -1.26 -5.07 116.67 126.89 2kvz s ASP 2 Ca 0.00 0.70 0.05 0.00 0.43 0.00 0.00 52.55 53.72 2kvz s ASP 2 Cb 0.00 -2.25 -0.01 0.00 -0.30 0.00 0.00 42.92 40.36 2kvz s ASP 2 CO 0.00 0.02 -0.16 -0.36 -0.17 0.00 0.00 175.17 174.50 2kvz s PHE 3 N 0.66 1.44 0.12 -5.34 0.40 -1.26 -5.15 117.98 108.86 2kvz s PHE 3 Ca 0.23 -0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.25 2kvz s PHE 3 Cb -0.14 -0.94 0.03 0.00 0.51 0.00 0.00 43.02 42.47 2kvz s PHE 3 CO 0.08 -0.05 0.16 0.41 0.70 0.00 0.00 175.22 176.53 2kvz n GLY 4 N 2.78 0.04 3.38 4.36 0.00 -1.26 -5.07 105.19 109.43 2kvz n GLY 4 Ca -0.15 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.02 3.17 -0.38 1.61 1.02 -1.26 -5.05 119.74 115.84 2kvz s LYS 5 Ca 0.10 -0.82 -0.27 0.00 0.02 0.00 0.00 55.97 55.00 2kvz s LYS 5 Cb -0.00 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2kvz s LYS 5 CO 0.07 -0.45 2.05 -2.14 -0.92 0.00 0.00 175.35 173.96 2kvz s PRO 6 N 1.55 2.91 -0.18 -1.68 0.02 -1.26 -4.89 135.00 131.45 2kvz s PRO 6 Ca 0.03 1.45 -0.29 0.00 0.02 0.00 0.00 61.00 62.21 2kvz s PRO 6 Cb -0.17 -4.36 -0.03 0.00 0.02 0.00 0.00 34.50 29.96 2kvz s PRO 6 CO 0.04 -2.36 1.53 -0.80 -0.33 0.00 0.00 177.00 175.08 2kvz s ASN 7 N 8.27 6.56 -0.26 2.53 0.01 -0.66 -4.82 114.94 126.57 2kvz s ASN 7 Ca 0.87 1.72 -0.05 0.00 -0.71 0.00 0.00 52.86 54.69 2kvz s ASN 7 Cb -0.22 -2.53 0.01 0.00 0.41 0.00 0.00 41.25 38.91 2kvz s ASN 7 CO 0.30 -1.09 0.01 -1.10 -1.51 0.00 0.00 177.10 173.72 2kvz s GLN 8 N 4.30 3.15 -0.36 -0.60 -0.21 -1.25 -0.67 119.66 124.02 2kvz s GLN 8 Ca 0.68 -0.79 -0.14 0.00 0.02 0.00 0.00 55.36 55.12 2kvz s GLN 8 Cb -0.25 -3.18 -0.01 0.00 1.00 0.00 0.00 33.01 30.57 2kvz s GLN 8 CO 0.26 -0.35 0.31 0.08 -2.12 0.00 0.00 175.29 173.47 2kvz s VAL 9 N 1.46 5.23 -0.43 1.09 1.01 0.37 -1.98 120.40 127.14 2kvz s VAL 9 Ca 0.03 -0.22 -0.21 0.00 0.00 0.00 0.00 61.98 61.58 2kvz s VAL 9 Cb -0.16 -3.81 0.02 0.00 0.00 0.00 0.00 36.38 32.43 2kvz s VAL 9 CO -0.01 -0.12 0.66 -0.89 0.00 0.00 0.00 175.10 174.75 2kvz s THR 10 N 1.84 4.80 -0.38 3.92 2.01 0.20 -0.15 115.64 127.89 2kvz s THR 10 Ca 0.08 0.19 -0.23 0.00 0.31 0.00 0.00 61.69 62.04 2kvz s THR 10 Cb -0.17 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.13 2kvz s THR 10 CO 0.11 -0.60 0.79 -0.69 -0.69 0.00 0.00 174.62 173.54 2kvz s VAL 11 N 2.88 4.71 -0.30 3.82 1.01 0.17 -0.81 120.40 131.89 2kvz s VAL 11 Ca 0.24 0.82 -0.10 0.00 0.00 0.00 0.00 61.98 62.93 2kvz s VAL 11 Cb -0.14 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.99 2kvz s VAL 11 CO 0.19 -0.48 0.17 0.20 0.00 0.00 0.00 175.10 175.18 2kvz s ASN 12 N 1.89 5.75 -0.98 3.32 0.01 0.25 -0.62 114.94 124.56 2kvz s ASN 12 Ca 0.31 -0.31 -0.20 0.00 -0.71 0.00 0.00 52.86 51.96 2kvz s ASN 12 Cb -0.13 -2.06 0.11 0.00 0.41 0.00 0.00 41.25 39.58 2kvz s ASN 12 CO 0.18 -0.14 1.25 -0.31 -1.51 0.00 0.00 177.10 176.57 2kvz s TYR 13 N 1.68 2.94 0.39 2.20 1.51 -1.26 -0.91 117.35 123.90 2kvz s TYR 13 Ca 0.06 -1.26 -0.01 0.00 -1.01 0.00 0.00 57.07 54.85 2kvz s TYR 13 Cb -0.17 -4.42 -0.03 0.00 -0.11 0.00 0.00 41.96 37.23 2kvz s TYR 13 CO 0.08 -1.63 0.62 -0.51 -1.11 0.00 0.00 175.55 173.00 2kvz s LEU 14 N 3.39 3.89 -0.13 -1.29 1.43 0.48 -1.47 118.68 124.98 2kvz s LEU 14 Ca 0.38 0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 54.00 2kvz s LEU 14 Cb -0.03 -3.45 0.06 0.00 0.03 0.00 0.00 46.19 42.81 2kvz s LEU 14 CO -0.09 -0.39 0.23 -0.62 0.23 0.00 0.00 176.35 175.71 2kvz s ASP 15 N -4.07 0.57 0.00 2.29 2.15 0.02 0.56 116.67 118.20 2kvz s ASP 15 Ca 0.42 0.43 0.00 0.00 0.43 0.00 0.00 52.55 53.84 2kvz s ASP 15 Cb -0.10 0.56 0.00 0.00 -0.30 0.00 0.00 42.92 43.08 2kvz s ASP 15 CO 0.38 -0.25 0.00 1.21 -0.17 0.00 0.00 175.17 176.34 2kvz n GLU 16 N 5.34 0.00 0.00 4.34 2.13 0.72 -2.35 120.64 130.82 2kvz n GLU 16 Ca -0.06 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.76 2kvz n GLU 16 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 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 0.65 0.48 -0.72 4.31 3.02 -1.26 -4.79 115.26 116.95 2kvz n ASN 17 Ca 0.00 -1.98 -0.09 0.00 -0.03 0.00 0.00 54.58 52.49 2kvz n ASN 17 Cb 0.00 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 38.90 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 -0.25 -3.90 -4.85 6.41 5.15 -0.99 -5.00 115.26 111.82 2kvz n ASN 18 Ca 0.00 0.18 -0.37 0.00 -0.60 0.00 0.00 54.58 53.79 2kvz n ASN 18 Cb 0.12 -2.33 -0.06 0.00 -0.53 0.00 0.00 39.78 36.98 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 -2.34 5.37 -0.44 -0.44 2.01 -1.21 -4.78 115.64 113.81 2kvz s THR 19 Ca 0.00 0.39 -0.29 0.00 0.31 0.00 0.00 61.69 62.10 2kvz s THR 19 Cb 0.00 -3.49 0.02 0.00 0.01 0.00 0.00 72.50 69.03 2kvz s THR 19 CO 0.00 0.59 1.34 -0.44 -0.69 0.00 0.00 174.62 175.42 2kvz s SER 20 N -0.89 6.40 0.06 3.53 0.01 -1.26 -0.80 113.70 120.75 2kvz s SER 20 Ca 0.17 0.71 0.26 0.00 1.31 0.00 0.00 55.95 58.40 2kvz s SER 20 Cb -0.13 -2.54 0.78 0.00 0.21 0.00 0.00 66.02 64.33 2kvz s SER 20 CO 0.06 -1.40 1.63 2.30 0.41 0.00 0.00 173.24 176.24 2kvz n ILE 21 N 7.02 0.16 -4.32 1.44 -5.35 -0.54 -4.79 119.36 112.98 2kvz n ILE 21 Ca 0.15 -0.10 -0.18 0.00 -0.27 0.00 0.00 62.75 62.36 2kvz n ILE 21 Cb 0.48 -0.21 -0.14 0.00 -1.74 0.00 0.00 39.64 38.03 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 -3.05 0.73 0.29 -1.28 0.00 -1.23 -5.11 121.76 112.11 2kvz s ALA 22 Ca 0.11 -0.44 -0.29 0.00 0.00 0.00 0.00 51.96 51.34 2kvz s ALA 22 Cb 0.16 -0.16 -0.13 0.00 0.00 0.00 0.00 23.12 22.99 2kvz s ALA 22 CO 0.63 0.16 1.22 -0.35 0.00 0.00 0.00 175.76 177.42 2kvz n PRO 23 N 2.68 1.80 -1.71 0.00 -0.04 -1.26 -4.22 135.00 132.25 2kvz n PRO 23 Ca -0.14 0.63 -0.43 0.00 -0.04 0.00 0.00 63.50 63.52 2kvz n PRO 23 Cb 0.57 -2.16 -0.03 0.00 -0.04 0.00 0.00 33.50 31.83 2kvz n PRO 23 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kvz n SER 24 N 1.32 3.77 -4.44 3.54 7.64 -1.26 -4.77 113.62 119.42 2kvz n SER 24 Ca 0.09 1.08 -0.44 0.00 1.01 0.00 0.00 58.87 60.60 2kvz n SER 24 Cb 0.33 -1.54 -0.07 0.00 -1.01 0.00 0.00 64.21 61.92 2kvz n SER 24 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kvz s LEU 25 N 0.91 5.09 -0.38 -3.43 2.96 0.20 -4.88 118.68 119.14 2kvz s LEU 25 Ca 0.74 -0.96 -0.15 0.00 -0.22 0.00 0.00 54.13 53.55 2kvz s LEU 25 Cb -0.54 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 43.77 2kvz s LEU 25 CO 0.36 -0.79 0.33 -0.72 -1.32 0.00 0.00 176.35 174.21 2kvz s TYR 26 N 2.34 3.22 -0.24 5.38 1.13 -1.26 0.43 117.35 128.34 2kvz s TYR 26 Ca 0.12 -0.34 -0.23 0.00 -1.41 0.00 0.00 57.07 55.21 2kvz s TYR 26 Cb -0.20 -2.65 -0.01 0.00 -1.10 0.00 0.00 41.96 38.00 2kvz s TYR 26 CO 0.11 -0.53 0.73 -0.51 -2.51 0.00 0.00 175.55 172.84 2kvz s LEU 27 N 1.86 4.08 -0.33 -3.49 1.43 0.78 -4.86 118.68 118.16 2kvz s LEU 27 Ca 0.08 0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 53.95 2kvz s LEU 27 Cb -0.18 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 42.99 2kvz s LEU 27 CO 0.11 -0.44 0.23 -0.55 0.23 0.00 0.00 176.35 175.93 2kvz s SER 28 N 1.38 6.04 0.12 2.29 0.15 -1.26 -0.48 113.70 121.94 2kvz s SER 28 Ca 0.31 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.62 2kvz s SER 28 Cb -0.15 -2.13 -0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2kvz s SER 28 CO 0.08 -0.20 0.15 0.61 1.20 0.00 0.00 173.24 175.08 2kvz n GLY 29 N 5.09 3.12 3.99 9.45 0.00 0.15 -4.94 105.19 122.05 2kvz n GLY 29 Ca -0.13 -1.58 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 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 3.64 0.29 0.99 1.43 -1.26 -1.66 118.68 122.11 2kvz s LEU 30 Ca 0.12 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 2kvz s LEU 30 Cb 0.00 -2.80 -0.11 0.00 0.03 0.00 0.00 46.19 43.31 2kvz s LEU 30 CO 0.09 -0.76 1.50 0.12 0.23 0.00 0.00 176.35 177.53 2kvz s PHE 31 N -2.43 2.86 -0.30 0.29 5.36 -1.26 -2.55 117.98 119.94 2kvz s PHE 31 Ca 0.52 0.96 0.00 0.00 -0.96 0.00 0.00 56.93 57.45 2kvz s PHE 31 Cb -0.10 -3.94 0.00 0.00 -0.34 0.00 0.00 43.02 38.64 2kvz s PHE 31 CO 0.34 -3.06 0.00 -1.71 -1.46 0.00 0.00 175.22 169.34 2kvz n ASN 32 N 1.96 -4.52 -4.71 6.13 5.15 0.59 -4.91 115.26 114.95 2kvz n ASN 32 Ca 0.06 0.07 -0.41 0.00 -0.60 0.00 0.00 54.58 53.70 2kvz n ASN 32 Cb 0.39 -2.27 -0.04 0.00 -0.53 0.00 0.00 39.78 37.34 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 -1.53 4.51 -0.00 1.20 2.12 -1.06 -4.68 118.70 119.26 2kvz s GLU 33 Ca 0.00 1.19 -0.30 0.00 0.36 0.00 0.00 54.97 56.22 2kvz s GLU 33 Cb 0.00 -3.46 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 2kvz s GLU 33 CO 0.00 -0.01 1.18 0.00 -0.54 0.00 0.00 175.26 175.89 2kvz s ALA 34 N 0.95 3.42 0.34 6.30 0.00 -1.26 -0.78 121.76 130.72 2kvz s ALA 34 Ca 0.46 0.70 0.08 0.00 0.00 0.00 0.00 51.96 53.20 2kvz s ALA 34 Cb -0.20 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 2kvz s ALA 34 CO 0.24 -0.57 0.13 1.52 0.00 0.00 0.00 175.76 177.07 2kvz s TYR 35 N 1.63 2.69 -0.12 0.00 -0.85 -0.75 -4.98 117.35 114.97 2kvz s TYR 35 Ca 0.57 -0.39 0.01 0.00 -0.52 0.00 0.00 57.07 56.73 2kvz s TYR 35 Cb -0.26 -1.63 -0.01 0.00 0.38 0.00 0.00 41.96 40.43 2kvz s TYR 35 CO 0.25 0.35 -0.14 1.21 -1.52 0.00 0.00 175.55 175.70 2kvz s ASN 36 N -3.84 3.92 -0.34 -0.18 2.47 -1.26 -4.30 114.94 111.41 2kvz s ASN 36 Ca 0.37 -0.33 -0.09 0.00 0.42 0.00 0.00 52.86 53.23 2kvz s ASN 36 Cb -0.02 -1.48 0.02 0.00 -1.45 0.00 0.00 41.25 38.32 2kvz s ASN 36 CO 0.22 0.19 0.16 -0.69 -3.72 0.00 0.00 177.10 173.26 2kvz s VAL 37 N 0.20 4.34 -0.37 -5.21 1.01 -1.26 -5.06 120.40 114.04 2kvz s VAL 37 Ca -0.09 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 60.82 2kvz s VAL 37 Cb -0.15 -3.36 0.02 0.00 0.00 0.00 0.00 36.38 32.88 2kvz s VAL 37 CO 0.05 -0.12 1.01 -2.84 0.00 0.00 0.00 175.10 173.20 2kvz s PRO 38 N 1.53 3.88 -0.01 2.72 0.02 -1.26 -4.94 135.00 136.94 2kvz s PRO 38 Ca 0.02 0.72 -0.22 0.00 0.02 0.00 0.00 61.00 61.54 2kvz s PRO 38 Cb -0.18 -3.80 -0.13 0.00 0.02 0.00 0.00 34.50 30.40 2kvz s PRO 38 CO 0.05 -1.01 0.95 0.52 -0.33 0.00 0.00 177.00 177.18 2kvz h MET 39 N 8.50 -0.55 -4.20 5.54 2.86 -2.04 -3.50 114.93 121.53 2kvz h MET 39 Ca -0.22 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 2kvz h MET 39 Cb 1.07 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2kvz h MET 39 CO 1.02 -0.26 -0.87 1.17 1.06 0.00 0.00 176.91 179.03 2kvz n LYS 40 N -5.18 -4.84 -2.16 1.72 4.81 -1.26 -4.84 118.16 106.42 2kvz n LYS 40 Ca -0.09 3.52 -0.43 0.00 -0.87 0.00 0.00 58.31 60.44 2kvz n LYS 40 Cb 0.28 -4.04 -0.02 0.00 0.02 0.00 0.00 35.03 31.26 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 -0.83 3.67 0.53 1.64 2.20 -1.26 -4.99 119.74 120.69 2kvz s LYS 41 Ca 0.00 1.45 -0.16 0.00 -0.36 0.00 0.00 55.97 56.90 2kvz s LYS 41 Cb 0.00 -4.05 -0.07 0.00 -1.51 0.00 0.00 37.83 32.20 2kvz s LYS 41 CO 0.00 -1.45 1.00 0.42 -0.36 0.00 0.00 175.35 174.96 2kvz s ILE 42 N 5.54 4.41 -0.80 5.43 1.01 -1.26 -4.91 121.20 130.62 2kvz s ILE 42 Ca 0.70 1.14 -0.25 0.00 0.00 0.00 0.00 60.65 62.24 2kvz s ILE 42 Cb -0.22 -3.66 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 2kvz s ILE 42 CO 0.30 -0.67 2.07 -0.54 0.00 0.00 0.00 174.94 176.10 2kvz s LYS 43 N -4.11 2.32 0.00 2.79 1.02 -1.26 -2.59 119.74 117.91 2kvz s LYS 43 Ca 0.60 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.73 2kvz s LYS 43 Cb -0.11 -4.86 0.00 0.00 -0.52 0.00 0.00 37.83 32.34 2kvz s LYS 43 CO 0.33 -3.51 0.00 0.41 -0.92 0.00 0.00 175.35 171.66 2kvz n GLY 44 N 6.60 0.98 2.80 -3.33 0.00 -1.26 -4.97 105.19 106.01 2kvz n GLY 44 Ca 0.38 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.56 0.90 -0.13 1.61 1.51 -1.07 -0.70 117.35 116.90 2kvz s TYR 45 Ca 0.00 -0.36 -0.20 0.00 -1.01 0.00 0.00 57.07 55.50 2kvz s TYR 45 Cb 0.00 -0.93 -0.03 0.00 -0.11 0.00 0.00 41.96 40.89 2kvz s TYR 45 CO 0.00 -0.39 0.59 0.99 -1.11 0.00 0.00 175.55 175.62 2kvz s THR 46 N 1.90 5.09 -0.03 -0.71 2.01 0.68 -4.56 115.64 120.02 2kvz s THR 46 Ca 0.05 1.16 -0.31 0.00 0.31 0.00 0.00 61.69 62.89 2kvz s THR 46 Cb -0.13 -3.92 -0.10 0.00 0.01 0.00 0.00 72.50 68.37 2kvz s THR 46 CO -0.06 0.23 1.97 -0.11 -0.69 0.00 0.00 174.62 175.96 2kvz n LEU 47 N 4.21 3.85 -0.03 4.42 7.94 -1.26 0.99 117.00 137.12 2kvz n LEU 47 Ca -0.04 0.86 -0.12 0.00 -1.11 0.00 0.00 56.01 55.60 2kvz n LEU 47 Cb 0.51 -1.48 -0.10 0.00 0.53 0.00 0.00 43.42 42.88 2kvz n LEU 47 CO 0.44 0.04 0.43 0.25 -1.11 0.00 0.00 177.39 177.45 2kvz h LEU 48 N 10.58 -0.04 0.00 -1.96 5.85 -0.49 -3.46 115.31 125.80 2kvz h LEU 48 Ca -0.48 -0.66 0.00 0.00 0.84 0.00 0.00 57.88 57.57 2kvz h LEU 48 Cb 1.25 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.29 2kvz h LEU 48 CO 0.95 0.70 0.00 1.17 -0.34 0.00 0.00 178.44 180.91 2kvz n LYS 49 N -4.75 0.00 -4.23 1.25 4.81 -1.23 -5.07 118.16 108.93 2kvz n LYS 49 Ca -0.08 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.04 2kvz n LYS 49 Cb 0.34 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.31 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 3.02 -0.04 5.64 2.02 -1.26 -3.74 117.35 120.98 2kvz s TYR 50 Ca 0.00 0.02 -0.10 0.00 -0.37 0.00 0.00 57.07 56.62 2kvz s TYR 50 Cb 0.00 -1.60 -0.05 0.00 -0.40 0.00 0.00 41.96 39.90 2kvz s TYR 50 CO 0.00 0.46 0.47 -0.44 -1.57 0.00 0.00 175.55 174.47 2kvz h ASP 51 N 3.96 -0.30 -2.07 2.29 3.32 -2.00 -3.48 116.42 118.14 2kvz h ASP 51 Ca -0.48 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2kvz h ASP 51 Cb 1.17 0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2kvz h ASP 51 CO 0.58 0.06 0.00 -0.24 -1.72 0.00 0.00 179.24 177.92 2kvz n SER 52 N -4.50 0.70 -3.30 6.45 2.88 -1.26 -5.13 113.62 109.46 2kvz n SER 52 Ca -0.04 -0.21 -0.20 0.00 -1.33 0.00 0.00 58.87 57.08 2kvz n SER 52 Cb 0.14 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 63.75 2kvz n SER 52 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2kvz n GLU 53 N -0.14 -1.27 -0.07 -1.46 1.02 -1.26 -5.05 120.64 112.41 2kvz n GLU 53 Ca 0.00 -1.37 -0.06 0.00 -0.02 0.00 0.00 57.16 55.71 2kvz n GLU 53 Cb 0.00 -0.99 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 2kvz n GLU 53 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2kvz n ILE 54 N -3.47 1.37 -3.09 -3.67 5.41 -1.26 -4.96 119.36 109.70 2kvz n ILE 54 Ca 0.11 0.21 -0.34 0.00 1.00 0.00 0.00 62.75 63.73 2kvz n ILE 54 Cb 0.40 -2.34 -0.06 0.00 -0.71 0.00 0.00 39.64 36.93 2kvz n ILE 54 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2kvz s LEU 55 N -7.95 4.17 0.00 1.39 1.43 -1.26 -4.77 118.68 111.69 2kvz s LEU 55 Ca -0.19 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.30 2kvz s LEU 55 Cb 0.03 -3.93 0.00 0.00 0.03 0.00 0.00 46.19 42.31 2kvz s LEU 55 CO 0.28 -0.13 0.00 0.61 0.23 0.00 0.00 176.35 177.34 2kvz n GLY 56 N 0.04 1.27 3.35 -3.19 0.00 -1.26 -5.06 105.19 100.34 2kvz n GLY 56 Ca 0.02 -0.80 -0.27 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.41 2.07 -0.03 1.61 -7.23 -1.26 -1.82 120.40 111.33 2kvz s VAL 57 Ca 0.00 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 58.22 2kvz s VAL 57 Cb 0.00 -1.84 -0.07 0.00 0.56 0.00 0.00 36.38 35.03 2kvz s VAL 57 CO 0.00 0.06 1.93 -0.36 -0.31 0.00 0.00 175.10 176.43 2kvz s PHE 58 N -1.07 1.43 0.65 2.82 0.08 0.04 -4.80 117.98 117.12 2kvz s PHE 58 Ca 0.11 -0.14 -0.03 0.00 0.12 0.00 0.00 56.93 57.00 2kvz s PHE 58 Cb -0.10 -4.13 0.06 0.00 -0.57 0.00 0.00 43.02 38.28 2kvz s PHE 58 CO 0.05 -4.90 0.92 0.95 -0.10 0.00 0.00 175.22 172.13 2kvz s THR 59 N 5.02 2.42 -0.01 0.64 -4.23 -1.26 -0.30 115.64 117.92 2kvz s THR 59 Ca 0.87 -0.47 -0.00 0.00 -1.18 0.00 0.00 61.69 60.91 2kvz s THR 59 Cb -0.38 -2.96 -0.00 0.00 1.34 0.00 0.00 72.50 70.50 2kvz s THR 59 CO 0.38 0.00 2.05 -0.62 -0.54 0.00 0.00 174.62 175.89 2kvz n GLU 60 N -2.68 1.06 -3.55 3.99 1.02 -1.26 -4.76 120.64 114.46 2kvz n GLU 60 Ca 0.09 -0.09 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 2kvz n GLU 60 Cb 0.60 -1.05 -0.06 0.00 -0.02 0.00 0.00 31.44 30.91 2kvz n GLU 60 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2kvz s SER 61 N 1.93 -0.56 -0.41 1.62 1.04 -1.26 -5.10 113.70 110.97 2kvz s SER 61 Ca 0.03 0.47 -0.27 0.00 0.48 0.00 0.00 55.95 56.66 2kvz s SER 61 Cb 0.02 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.61 2kvz s SER 61 CO -0.00 -0.65 2.10 -2.84 0.98 0.00 0.00 173.24 172.83 2kvz s PRO 62 N -1.73 2.75 -0.02 4.02 0.02 -1.26 -4.59 135.00 134.20 2kvz s PRO 62 Ca -0.09 1.40 -0.15 0.00 0.02 0.00 0.00 61.00 62.18 2kvz s PRO 62 Cb -0.01 -4.40 -0.05 0.00 0.02 0.00 0.00 34.50 30.06 2kvz s PRO 62 CO 0.05 -2.54 0.41 -1.14 -0.33 0.00 0.00 177.00 173.45 2kvz s GLN 63 N 6.93 3.99 -0.15 5.54 0.74 -0.84 -4.91 119.66 130.96 2kvz s GLN 63 Ca 0.88 0.41 -0.01 0.00 0.05 0.00 0.00 55.36 56.69 2kvz s GLN 63 Cb -0.21 -3.26 -0.01 0.00 1.10 0.00 0.00 33.01 30.63 2kvz s GLN 63 CO 0.29 0.61 -0.11 0.99 -0.55 0.00 0.00 175.29 176.51 2kvz s THR 64 N -0.81 3.10 -0.34 -0.34 2.01 -1.26 0.62 115.64 118.62 2kvz s THR 64 Ca 0.24 -0.63 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 2kvz s THR 64 Cb -0.16 -2.33 0.05 0.00 0.01 0.00 0.00 72.50 70.07 2kvz s THR 64 CO 0.13 0.51 0.10 -0.63 -0.69 0.00 0.00 174.62 174.03 2kvz s ILE 65 N 0.59 3.54 -0.62 1.82 1.01 0.01 -4.96 121.20 122.60 2kvz s ILE 65 Ca -0.07 -1.32 -0.22 0.00 0.00 0.00 0.00 60.65 59.04 2kvz s ILE 65 Cb -0.15 -3.07 0.07 0.00 0.01 0.00 0.00 42.46 39.31 2kvz s ILE 65 CO 0.03 -0.24 0.92 0.20 0.00 0.00 0.00 174.94 175.85 2kvz s ASN 66 N 1.47 6.21 -0.73 3.58 0.01 -1.26 -0.58 114.94 123.63 2kvz s ASN 66 Ca -0.01 -0.88 -0.15 0.00 -0.71 0.00 0.00 52.86 51.10 2kvz s ASN 66 Cb -0.20 -2.41 0.18 0.00 0.41 0.00 0.00 41.25 39.23 2kvz s ASN 66 CO 0.01 -1.34 0.71 -0.63 -1.51 0.00 0.00 177.10 174.34 2kvz s ILE 67 N 3.86 5.37 -0.26 0.60 1.01 -0.09 -4.31 121.20 127.38 2kvz s ILE 67 Ca 0.23 -2.00 -0.17 0.00 0.00 0.00 0.00 60.65 58.71 2kvz s ILE 67 Cb -0.17 -4.45 -0.03 0.00 0.01 0.00 0.00 42.46 37.82 2kvz s ILE 67 CO 0.12 -1.02 0.46 -0.63 0.00 0.00 0.00 174.94 173.86 2kvz s ILE 68 N 0.97 5.11 0.27 2.92 1.01 -1.25 -0.39 121.20 129.85 2kvz s ILE 68 Ca 0.14 0.77 0.05 0.00 0.00 0.00 0.00 60.65 61.61 2kvz s ILE 68 Cb -0.17 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 2kvz s ILE 68 CO -0.04 0.12 0.39 -0.31 0.00 0.00 0.00 174.94 175.10 2kvz s TYR 69 N 2.13 3.35 -0.22 3.97 2.02 0.19 0.24 117.35 129.03 2kvz s TYR 69 Ca 0.19 -0.08 0.00 0.00 -0.37 0.00 0.00 57.07 56.81 2kvz s TYR 69 Cb -0.16 -1.69 0.06 0.00 -0.40 0.00 0.00 41.96 39.77 2kvz s TYR 69 CO 0.09 0.31 -0.05 -1.14 -1.57 0.00 0.00 175.55 173.20 2kvz s GLN 70 N -4.03 1.54 0.23 -0.62 2.00 0.28 -0.20 119.66 118.85 2kvz s GLN 70 Ca 0.37 -0.88 -0.31 0.00 -2.00 0.00 0.00 55.36 52.54 2kvz s GLN 70 Cb -0.09 -2.48 -0.15 0.00 0.80 0.00 0.00 33.01 31.09 2kvz s GLN 70 CO 0.30 -0.58 1.13 0.36 -0.50 0.00 0.00 175.29 176.00 2kvz n LYS 71 N 4.73 1.36 -0.34 1.67 2.85 -1.26 -0.23 118.16 126.94 2kvz n LYS 71 Ca -0.12 0.48 0.06 0.00 -1.05 0.00 0.00 58.31 57.69 2kvz n LYS 71 Cb 0.45 -1.95 0.22 0.00 -0.65 0.00 0.00 35.03 33.10 2kvz n LYS 71 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 177.40 178.22 2kvz h LYS 72 N 2.93 0.89 -3.94 -1.58 1.79 -1.29 -3.19 116.57 112.18 2kvz h LYS 72 Ca -0.42 -0.05 -0.77 0.00 -2.18 0.00 0.00 60.65 57.23 2kvz h LYS 72 Cb 1.33 -0.20 -0.26 0.00 -1.58 0.00 0.00 32.23 31.52 2kvz h LYS 72 CO 0.67 0.59 -0.07 0.00 -1.08 0.00 0.00 179.45 179.56 2kvz s ALA 73 N -5.97 3.86 0.74 3.86 0.00 -1.26 -5.07 121.76 117.92 2kvz s ALA 73 Ca -0.12 -3.00 -0.12 0.00 0.00 0.00 0.00 51.96 48.72 2kvz s ALA 73 Cb 0.22 -3.33 0.04 0.00 0.00 0.00 0.00 23.12 20.04 2kvz s ALA 73 CO 0.80 -2.15 1.11 -1.25 0.00 0.00 0.00 175.76 174.27 2kvz s PRO 74 N 0.72 2.35 0.00 0.00 0.04 -1.21 -5.08 135.00 131.83 2kvz s PRO 74 Ca 0.12 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.47 2kvz s PRO 74 Cb -0.19 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2kvz s PRO 74 CO -0.04 -1.59 0.00 0.39 0.04 0.00 0.00 177.00 175.80 2kvz n GLU 75 N -3.13 2.15 -1.16 4.56 1.02 -1.26 -4.61 120.64 118.21 2kvz n GLU 75 Ca 0.10 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.18 2kvz n GLU 75 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.92 2kvz n GLU 75 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2kvz n GLN 76 N -0.31 -1.47 -0.44 3.49 6.02 -1.26 -4.96 117.38 118.46 2kvz n GLN 76 Ca 0.00 0.63 0.00 0.00 -0.01 0.00 0.00 57.00 57.62 2kvz n GLN 76 Cb 0.00 -4.84 0.00 0.00 1.02 0.00 0.00 30.24 26.42 2kvz n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kvz n ALA 77 N 1.10 0.00 0.12 -1.58 0.00 -1.26 -5.05 120.51 113.84 2kvz n ALA 77 Ca -0.06 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.29 2kvz n ALA 77 Cb 0.45 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.85 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 0.00 -0.33 -7.45 0.00 3.38 -1.94 -3.40 115.31 105.57 2kvz h LEU 78 Ca 0.00 -0.16 -0.59 0.00 0.09 0.00 0.00 57.88 57.22 2kvz h LEU 78 Cb 0.00 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 2kvz h LEU 78 CO 0.00 0.15 2.07 1.21 0.09 0.00 0.00 178.44 181.96 2kvz n GLU 79 N -5.04 2.54 0.00 1.13 4.07 -1.26 -2.53 120.64 119.55 2kvz n GLU 79 Ca -0.07 -2.81 0.00 0.00 -0.06 0.00 0.00 57.16 54.22 2kvz n GLU 79 Cb 0.24 -3.47 0.00 0.00 -0.06 0.00 0.00 31.44 28.15 2kvz n GLU 79 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2kvz n HIS 80 N 9.54 -0.09 -3.21 4.31 8.25 -1.26 -5.10 115.22 127.67 2kvz n HIS 80 Ca 0.48 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.70 2kvz n HIS 80 Cb 0.44 0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.57 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 -1.04 3.46 0.11 4.41 3.76 -1.05 -5.11 115.29 119.83 2kvz s HIS 81 Ca 0.00 0.39 0.06 0.00 -0.15 0.00 0.00 55.06 55.36 2kvz s HIS 81 Cb 0.00 -2.03 -0.04 0.00 1.11 0.00 0.00 32.58 31.63 2kvz s HIS 81 CO 0.00 -0.02 -0.14 -1.01 -0.85 0.00 0.00 174.74 172.71 2kvz s HIS 82 N -2.42 1.39 0.27 1.40 0.09 -1.26 -5.01 115.29 109.75 2kvz s HIS 82 Ca 0.42 -0.53 0.02 0.00 -0.00 0.00 0.00 55.06 54.98 2kvz s HIS 82 Cb -0.10 -0.74 0.38 0.00 -0.00 0.00 0.00 32.58 32.12 2kvz s HIS 82 CO 0.38 0.13 1.69 0.45 -0.00 0.00 0.00 174.74 177.39 2kvz h HIS 83 N 3.70 0.51 0.00 1.40 3.86 -1.99 -1.05 115.15 121.58 2kvz h HIS 83 Ca -0.40 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 58.68 2kvz h HIS 83 Cb 1.19 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.54 2kvz h HIS 83 CO 0.65 0.72 -0.19 1.58 0.86 0.00 0.00 177.93 181.54 2kvz n HIS 84 N -4.08 0.73 -0.47 2.45 -0.00 -1.26 -5.34 115.22 107.25 2kvz n HIS 84 Ca -0.01 0.21 0.00 0.00 -0.00 0.00 0.00 57.72 57.92 2kvz n HIS 84 Cb 0.44 -0.81 0.00 0.00 -0.00 0.00 0.00 29.99 29.63 2kvz n HIS 84 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06