#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3v s ASP 2 N 0.00 7.25 0.25 0.00 2.15 -1.26 -5.05 116.67 120.00 2k3v s ASP 2 Ca 0.00 1.48 -0.16 0.00 0.43 0.00 0.00 52.55 54.30 2k3v s ASP 2 Cb 0.00 -2.47 -0.08 0.00 -0.30 0.00 0.00 42.92 40.07 2k3v s ASP 2 CO 0.00 0.09 0.68 -1.83 -0.17 0.00 0.00 175.17 173.94 2k3v s GLU 3 N -0.44 4.06 0.92 4.34 1.03 -1.26 -4.96 118.70 122.39 2k3v s GLU 3 Ca 0.37 0.66 -0.11 0.00 0.03 0.00 0.00 54.97 55.92 2k3v s GLU 3 Cb -0.21 -2.69 0.14 0.00 -0.80 0.00 0.00 34.13 30.57 2k3v s GLU 3 CO 0.23 0.31 1.09 0.95 -1.33 0.00 0.00 175.26 176.52 2k3v s THR 4 N -1.72 2.57 0.03 1.83 -4.23 -1.26 -2.06 115.64 110.80 2k3v s THR 4 Ca 0.47 0.19 -0.20 0.00 -1.18 0.00 0.00 61.69 60.97 2k3v s THR 4 Cb -0.13 -2.60 -0.17 0.00 1.34 0.00 0.00 72.50 70.94 2k3v s THR 4 CO 0.19 -0.24 1.25 0.25 -0.54 0.00 0.00 174.62 175.53 2k3v h LEU 5 N -1.66 0.46 -2.02 4.79 5.85 -1.50 -2.35 115.31 118.88 2k3v h LEU 5 Ca -0.50 -0.60 0.13 0.00 0.84 0.00 0.00 57.88 57.76 2k3v h LEU 5 Cb 1.29 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 2k3v h LEU 5 CO 0.53 0.97 0.35 0.00 -0.34 0.00 0.00 178.44 179.95 2k3v h ALA 6 N 0.50 2.37 0.31 1.25 0.00 -1.86 -1.59 119.26 120.24 2k3v h ALA 6 Ca -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2k3v h ALA 6 Cb 0.92 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k3v h ALA 6 CO 0.07 -0.59 -0.15 1.49 0.00 0.00 0.00 179.25 180.07 2k3v h GLU 7 N 0.00 -0.41 -1.19 0.00 4.57 -1.82 -1.89 114.58 113.85 2k3v h GLU 7 Ca 0.22 0.03 0.38 0.00 -1.18 0.00 0.00 59.36 58.81 2k3v h GLU 7 Cb 0.92 0.09 -0.13 0.00 -0.16 0.00 0.00 28.75 29.48 2k3v h GLU 7 CO -0.00 -0.27 0.75 0.35 -1.18 0.00 0.00 179.01 178.66 2k3v h PHE 8 N -1.07 0.63 -0.08 0.92 3.57 -0.86 1.47 116.94 121.51 2k3v h PHE 8 Ca -0.04 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.26 2k3v h PHE 8 Cb 0.32 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.91 2k3v h PHE 8 CO 0.00 -0.16 -0.84 0.45 -2.23 0.00 0.00 178.31 175.53 2k3v h HIS 9 N 0.18 0.88 0.28 0.41 3.86 -1.35 -3.16 115.15 116.25 2k3v h HIS 9 Ca 0.76 -0.42 -0.00 0.00 -1.16 0.00 0.00 60.37 59.55 2k3v h HIS 9 Cb 2.18 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 30.52 2k3v h HIS 9 CO -0.01 1.23 -0.24 0.28 0.86 0.00 0.00 177.93 180.06 2k3v h VAL 10 N 0.41 0.50 0.00 2.45 2.07 0.28 0.51 116.25 122.47 2k3v h VAL 10 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2k3v h VAL 10 Cb 1.47 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2k3v h VAL 10 CO 0.16 0.00 0.32 -0.08 0.02 0.00 0.00 177.57 177.99 2k3v h GLU 11 N -0.53 0.00 -0.46 1.57 4.81 -1.05 1.31 114.58 120.23 2k3v h GLU 11 Ca -0.02 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2k3v h GLU 11 Cb 0.47 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2k3v h GLU 11 CO -0.02 0.00 0.02 -1.33 -0.73 0.00 0.00 179.01 176.95 2k3v n MET 12 N -2.78 4.00 0.00 1.92 2.81 0.12 -4.89 117.12 118.31 2k3v n MET 12 Ca -0.02 -3.04 0.00 0.00 -1.81 0.00 0.00 57.70 52.83 2k3v n MET 12 Cb 0.36 -2.10 0.00 0.00 -0.71 0.00 0.00 33.22 30.77 2k3v n MET 12 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2k3v n GLY 13 N 0.09 -2.02 0.00 3.03 0.00 0.42 -5.02 105.19 101.68 2k3v n GLY 13 Ca 0.26 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.94 2k3v n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k3v n GLY 14 N 0.00 -1.07 0.21 -0.02 0.00 0.79 -4.90 105.19 100.20 2k3v n GLY 14 Ca 0.00 -1.26 0.15 0.00 0.00 0.00 0.00 46.02 44.91 2k3v n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3v n GLU 16 N -2.76 1.34 0.17 0.00 4.71 -1.26 -3.00 120.64 119.85 2k3v n GLU 16 Ca 0.02 -0.42 0.04 0.00 -0.01 0.00 0.00 57.16 56.79 2k3v n GLU 16 Cb 0.32 -1.22 0.27 0.00 -1.01 0.00 0.00 31.44 29.81 2k3v n GLU 16 CO 0.00 0.00 0.00 -0.97 0.09 0.00 0.00 177.13 176.25 2k3v h ASN 17 N 0.65 0.00 0.00 1.62 -1.24 -1.75 -3.31 115.58 111.54 2k3v h ASN 17 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 2k3v h ASN 17 Cb 0.29 0.00 -0.21 0.00 0.73 0.00 0.00 38.32 39.13 2k3v h ASN 17 CO 0.02 0.44 -0.64 0.00 -1.29 0.00 0.00 177.43 175.95 2k3v s HIS 19 N 0.00 -0.32 -0.20 0.00 3.76 -1.16 -4.81 115.29 112.56 2k3v s HIS 19 Ca 0.16 0.80 -0.23 0.00 -0.15 0.00 0.00 55.06 55.63 2k3v s HIS 19 Cb 0.18 -0.07 -0.02 0.00 1.11 0.00 0.00 32.58 33.78 2k3v s HIS 19 CO -0.08 -0.29 0.74 0.00 -0.85 0.00 0.00 174.74 174.27 2k3v s ALA 20 N 1.98 3.56 -1.86 -1.40 0.00 -1.26 -3.97 121.76 118.80 2k3v s ALA 20 Ca -0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 51.96 51.57 2k3v s ALA 20 Cb -0.12 -3.13 0.23 0.00 0.00 0.00 0.00 23.12 20.10 2k3v s ALA 20 CO -0.08 -0.68 0.61 -3.47 0.00 0.00 0.00 175.76 172.14 2k3v n ASP 21 N 5.35 -1.92 -3.51 0.00 2.03 -1.26 0.65 116.55 117.89 2k3v n ASP 21 Ca 0.02 -1.22 -0.21 0.00 0.52 0.00 0.00 54.79 53.90 2k3v n ASP 21 Cb 0.49 -1.73 0.06 0.00 -0.72 0.00 0.00 41.12 39.22 2k3v n ASP 21 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k3v n GLY 22 N -1.13 -0.76 2.39 0.27 0.00 -1.26 -4.98 105.19 99.73 2k3v n GLY 22 Ca 0.10 0.36 -0.27 0.00 0.00 0.00 0.00 46.02 46.21 2k3v n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k3v s GLU 23 N -5.37 0.88 -0.29 1.61 2.12 0.21 -5.10 118.70 112.76 2k3v s GLU 23 Ca 0.27 -2.07 -0.41 0.00 0.36 0.00 0.00 54.97 53.12 2k3v s GLU 23 Cb -0.06 -1.40 -0.17 0.00 0.26 0.00 0.00 34.13 32.76 2k3v s GLU 23 CO 0.79 -1.38 1.67 -2.30 -0.54 0.00 0.00 175.26 173.50 2k3v n PRO 24 N 2.90 0.89 -1.08 4.30 -0.02 -1.26 -4.23 135.00 136.50 2k3v n PRO 24 Ca 0.29 0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 61.74 2k3v n PRO 24 Cb 0.47 -1.96 0.08 0.00 -0.02 0.00 0.00 33.50 32.07 2k3v n PRO 24 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2k3v n SER 25 N 4.78 -2.25 -1.81 2.55 3.41 -1.26 -4.91 113.62 114.12 2k3v n SER 25 Ca 0.27 0.46 -0.20 0.00 -0.26 0.00 0.00 58.87 59.14 2k3v n SER 25 Cb 0.09 -1.13 0.06 0.00 -0.26 0.00 0.00 64.21 62.97 2k3v n SER 25 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2k3v n LYS 26 N -0.49 3.14 0.13 4.33 2.85 -1.26 -4.71 118.16 122.15 2k3v n LYS 26 Ca 0.07 -3.90 0.00 0.00 -1.05 0.00 0.00 58.31 53.43 2k3v n LYS 26 Cb 0.52 -2.17 0.00 0.00 -0.65 0.00 0.00 35.03 32.73 2k3v n LYS 26 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 2k3v n ASP 27 N -0.81 -0.99 0.00 -5.58 5.75 -1.26 -5.07 116.55 108.58 2k3v n ASP 27 Ca 0.42 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.66 2k3v n ASP 27 Cb 0.91 1.08 0.00 0.00 -1.03 0.00 0.00 41.12 42.08 2k3v n ASP 27 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k3v n GLY 28 N 0.67 3.58 0.44 6.12 0.00 -1.26 -4.97 105.19 109.76 2k3v n GLY 28 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 46.02 44.96 2k3v n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3v h ALA 29 N 0.00 -1.19 -1.00 4.61 0.00 -1.98 0.25 119.26 119.95 2k3v h ALA 29 Ca 0.00 -0.20 0.38 0.00 0.00 0.00 0.00 54.91 55.08 2k3v h ALA 29 Cb 0.00 0.56 -0.18 0.00 0.00 0.00 0.00 17.79 18.17 2k3v h ALA 29 CO 0.00 -1.17 0.40 -0.92 0.00 0.00 0.00 179.25 177.56 2k3v h TYR 30 N -0.98 0.59 0.15 0.00 3.20 -2.00 0.44 116.97 118.36 2k3v h TYR 30 Ca -0.08 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 2k3v h TYR 30 Cb 0.80 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.98 2k3v h TYR 30 CO -0.10 -0.46 -0.07 1.49 -1.64 0.00 0.00 178.16 177.38 2k3v h GLU 31 N 0.02 -0.19 -1.17 1.82 4.81 -1.78 -3.07 114.58 115.01 2k3v h GLU 31 Ca 0.78 0.01 0.34 0.00 -0.13 0.00 0.00 59.36 60.36 2k3v h GLU 31 Cb 1.95 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 31.32 2k3v h GLU 31 CO -0.81 0.24 1.07 0.35 -0.73 0.00 0.00 179.01 179.14 2k3v h PHE 32 N -0.77 0.00 -0.42 0.92 3.57 0.33 1.42 116.94 121.99 2k3v h PHE 32 Ca -0.02 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 2k3v h PHE 32 Cb 0.53 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2k3v h PHE 32 CO 0.08 0.00 -0.14 0.93 -2.23 0.00 0.00 178.31 176.96 2k3v h GLU 33 N 0.00 0.83 -0.97 1.11 3.07 -1.07 -2.84 114.58 114.71 2k3v h GLU 33 Ca 0.56 -0.33 0.20 0.00 -0.50 0.00 0.00 59.36 59.28 2k3v h GLU 33 Cb 2.69 -0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 30.47 2k3v h GLU 33 CO -0.01 0.96 0.61 1.96 -1.40 0.00 0.00 179.01 181.14 2k3v h GLN 34 N 0.65 0.58 -1.90 2.33 1.08 0.19 0.12 115.11 118.15 2k3v h GLN 34 Ca 0.10 -0.03 -0.39 0.00 -1.45 0.00 0.00 58.65 56.88 2k3v h GLN 34 Cb 0.68 -0.13 -0.14 0.00 -0.05 0.00 0.00 27.48 27.83 2k3v h GLN 34 CO 0.05 0.38 0.23 0.00 -0.95 0.00 0.00 178.83 178.55 2k3v n GLN 36 N 1.10 0.78 0.00 0.00 7.27 0.40 -4.51 117.38 122.41 2k3v n GLN 36 Ca 0.42 -2.39 0.00 0.00 0.07 0.00 0.00 57.00 55.10 2k3v n GLN 36 Cb 0.62 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 31.92 2k3v n GLN 36 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2k3v n SER 37 N 1.41 0.00 0.00 1.69 7.64 -1.26 -4.83 113.62 118.27 2k3v n SER 37 Ca 0.14 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.09 2k3v n SER 37 Cb 0.60 0.19 0.31 0.00 -1.01 0.00 0.00 64.21 64.30 2k3v n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k3v n HIS 39 N -1.49 0.00 -2.86 0.00 -0.00 -1.26 -5.18 115.22 104.44 2k3v n HIS 39 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.76 2k3v n HIS 39 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.16 2k3v n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2k3v n GLY 40 N 4.55 -0.33 3.71 -1.41 0.00 -1.26 -5.05 105.19 105.40 2k3v n GLY 40 Ca 0.00 -1.14 -0.33 0.00 0.00 0.00 0.00 46.02 44.55 2k3v n GLY 40 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k3v s SER 41 N -4.00 5.26 0.36 1.61 0.15 -1.26 -4.39 113.70 111.43 2k3v s SER 41 Ca 0.00 0.03 0.08 0.00 0.70 0.00 0.00 55.95 56.76 2k3v s SER 41 Cb 0.00 -1.41 0.80 0.00 -1.71 0.00 0.00 66.02 63.71 2k3v s SER 41 CO 0.00 0.27 1.90 -0.07 1.20 0.00 0.00 173.24 176.54 2k3v h LEU 42 N 4.25 0.65 0.00 3.45 3.38 -1.93 1.24 115.31 126.34 2k3v h LEU 42 Ca -0.49 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.51 2k3v h LEU 42 Cb 1.18 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.82 2k3v h LEU 42 CO 0.59 0.36 0.00 0.00 0.09 0.00 0.00 178.44 179.47 2k3v n ALA 43 N -2.44 1.77 -1.31 1.53 0.00 -1.26 -1.50 120.51 117.30 2k3v n ALA 43 Ca 0.15 -0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.61 2k3v n ALA 43 Cb 0.40 -1.23 0.17 0.00 0.00 0.00 0.00 19.45 18.79 2k3v n ALA 43 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k3v n GLU 44 N -1.35 1.43 -2.39 0.00 1.02 0.42 -4.95 120.64 114.83 2k3v n GLU 44 Ca 0.06 -2.91 -0.08 0.00 -0.02 0.00 0.00 57.16 54.21 2k3v n GLU 44 Cb 0.13 -1.56 -0.01 0.00 -0.02 0.00 0.00 31.44 29.98 2k3v n GLU 44 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2k3v n MET 45 N -1.29 1.47 -0.48 3.49 2.81 -0.56 -4.73 117.12 117.84 2k3v n MET 45 Ca 0.17 -0.93 -0.18 0.00 -1.81 0.00 0.00 57.70 54.95 2k3v n MET 45 Cb 0.67 0.18 0.16 0.00 -0.71 0.00 0.00 33.22 33.52 2k3v n MET 45 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2k3v n ASP 46 N -1.54 -3.17 -0.18 7.83 3.85 -1.26 -4.52 116.55 117.56 2k3v n ASP 46 Ca -0.03 -0.46 0.04 0.00 -0.71 0.00 0.00 54.79 53.63 2k3v n ASP 46 Cb 0.17 -0.79 0.19 0.00 -1.35 0.00 0.00 41.12 39.34 2k3v n ASP 46 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 2k3v n ASP 47 N -1.83 0.53 -0.09 -1.12 9.92 -1.26 -2.16 116.55 120.53 2k3v n ASP 47 Ca 0.07 -1.84 -0.09 0.00 -0.53 0.00 0.00 54.79 52.40 2k3v n ASP 47 Cb 0.36 -0.06 -0.15 0.00 -0.64 0.00 0.00 41.12 40.64 2k3v n ASP 47 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2k3v n ASN 48 N -0.29 0.39 -0.00 -2.24 3.02 -1.26 -4.20 115.26 110.68 2k3v n ASN 48 Ca 0.07 -0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.45 2k3v n ASN 48 Cb 0.10 0.94 -0.14 0.00 -0.61 0.00 0.00 39.78 40.08 2k3v n ASN 48 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2k3v n HIS 49 N -2.70 1.18 0.09 3.10 8.25 -1.16 -4.32 115.22 119.66 2k3v n HIS 49 Ca -0.31 0.31 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2k3v n HIS 49 Cb 1.11 -1.17 -0.08 0.00 1.12 0.00 0.00 29.99 30.97 2k3v n HIS 49 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2k3v h LYS 50 N 0.05 -0.57 -0.29 -0.41 3.64 -1.32 -0.74 116.57 116.92 2k3v h LYS 50 Ca -0.37 0.04 0.09 0.00 -1.27 0.00 0.00 60.65 59.14 2k3v h LYS 50 Cb 2.03 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 33.92 2k3v h LYS 50 CO 0.09 -0.38 0.03 -2.30 -2.27 0.00 0.00 179.45 174.61 2k3v n PRO 51 N -4.79 -0.02 -0.05 1.90 -0.02 -1.26 0.12 135.00 130.87 2k3v n PRO 51 Ca -0.07 0.44 -0.01 0.00 -2.02 0.00 0.00 63.50 61.84 2k3v n PRO 51 Cb 0.32 -0.70 -0.00 0.00 -0.02 0.00 0.00 33.50 33.09 2k3v n PRO 51 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k3v h HIS 52 N 0.00 0.00 -2.02 6.00 3.86 -1.58 -3.48 115.15 117.93 2k3v h HIS 52 Ca 0.19 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.39 2k3v h HIS 52 Cb 0.41 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.88 2k3v h HIS 52 CO -0.13 0.00 -0.16 -0.40 0.86 0.00 0.00 177.93 178.10 2k3v n ASP 53 N -4.75 -0.96 -1.19 2.45 5.75 0.31 -3.57 116.55 114.58 2k3v n ASP 53 Ca -0.01 0.04 0.00 0.00 -0.01 0.00 0.00 54.79 54.81 2k3v n ASP 53 Cb 0.04 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 39.89 2k3v n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2k3v n GLY 54 N 0.47 0.76 1.85 6.12 0.00 -1.26 -4.94 105.19 108.19 2k3v n GLY 54 Ca -0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2k3v n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3v n LEU 55 N -1.13 0.00 -3.73 0.99 4.77 -1.23 -5.11 117.00 111.55 2k3v n LEU 55 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 2k3v n LEU 55 Cb 0.40 0.09 -0.12 0.00 -2.33 0.00 0.00 43.42 41.46 2k3v n LEU 55 CO 0.00 -0.46 -0.04 -1.48 -1.33 0.00 0.00 177.39 174.07 2k3v s LEU 56 N -4.85 0.44 1.04 2.23 2.34 -1.26 -5.15 118.68 113.47 2k3v s LEU 56 Ca 0.00 0.65 -0.14 0.00 0.06 0.00 0.00 54.13 54.70 2k3v s LEU 56 Cb 0.00 1.00 0.12 0.00 -0.56 0.00 0.00 46.19 46.75 2k3v s LEU 56 CO 0.00 -0.15 0.49 0.23 -1.06 0.00 0.00 176.35 175.86 2k3v n MET 57 N 3.76 -1.09 0.00 1.48 2.81 -1.26 -4.87 117.12 117.94 2k3v n MET 57 Ca -0.20 -0.28 0.00 0.00 -1.81 0.00 0.00 57.70 55.40 2k3v n MET 57 Cb 0.55 -1.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 2k3v n MET 57 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k3v n ALA 59 N -2.09 0.35 -0.63 0.00 0.00 -1.26 0.28 120.51 117.16 2k3v n ALA 59 Ca 0.00 1.02 0.48 0.00 0.00 0.00 0.00 53.44 54.94 2k3v n ALA 59 Cb 0.00 -0.68 0.74 0.00 0.00 0.00 0.00 19.45 19.52 2k3v n ALA 59 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2k3v n ASP 60 N -5.47 0.02 -0.06 0.00 4.64 -0.98 -0.04 116.55 114.67 2k3v n ASP 60 Ca 0.19 0.95 -0.14 0.00 -1.38 0.00 0.00 54.79 54.41 2k3v n ASP 60 Cb 0.59 -0.48 -0.05 0.00 -1.04 0.00 0.00 41.12 40.15 2k3v n ASP 60 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 2k3v n HIS 62 N -3.72 2.33 -1.50 0.00 8.25 0.21 -4.82 115.22 115.97 2k3v n HIS 62 Ca -0.25 -2.72 -0.38 0.00 -0.26 0.00 0.00 57.72 54.12 2k3v n HIS 62 Cb 0.62 -1.90 -0.16 0.00 1.12 0.00 0.00 29.99 29.67 2k3v n HIS 62 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k3v n ALA 63 N 2.02 0.43 0.30 -1.41 0.00 0.95 -4.32 120.51 118.49 2k3v n ALA 63 Ca 0.63 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.54 2k3v n ALA 63 Cb 0.31 -2.30 -0.08 0.00 0.00 0.00 0.00 19.45 17.38 2k3v n ALA 63 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2k3v h PRO 64 N 11.89 -0.73 -2.98 0.00 0.11 -1.87 1.41 132.00 139.83 2k3v h PRO 64 Ca -0.04 0.05 -0.69 0.00 0.11 0.00 0.00 66.00 65.44 2k3v h PRO 64 Cb 1.28 0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.55 2k3v h PRO 64 CO 1.43 -0.43 3.55 0.72 -0.21 0.00 0.00 178.00 183.06 2k3v n HIS 65 N -5.35 2.51 0.00 0.65 8.25 -1.26 -3.26 115.22 116.76 2k3v n HIS 65 Ca -0.12 -3.04 0.00 0.00 -0.26 0.00 0.00 57.72 54.30 2k3v n HIS 65 Cb 0.33 -2.37 0.00 0.00 1.12 0.00 0.00 29.99 29.07 2k3v n HIS 65 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2k3v n GLU 66 N 3.35 0.00 -0.78 -0.41 2.13 -1.20 -5.12 120.64 118.60 2k3v n GLU 66 Ca 0.74 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 58.28 2k3v n GLU 66 Cb 0.24 0.00 0.23 0.00 0.27 0.00 0.00 31.44 32.18 2k3v n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3v s ALA 67 N 0.00 -0.03 -0.03 4.31 0.00 0.48 -4.91 121.76 121.57 2k3v s ALA 67 Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 51.72 2k3v s ALA 67 Cb 0.00 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.94 2k3v s ALA 67 CO 0.00 -3.53 -0.08 0.15 0.00 0.00 0.00 175.76 172.30 2k3v s LYS 68 N -4.65 0.94 -0.01 0.00 3.01 -1.26 -2.77 119.74 114.99 2k3v s LYS 68 Ca 0.67 -0.25 -0.26 0.00 -1.01 0.00 0.00 55.97 55.12 2k3v s LYS 68 Cb -0.23 -0.88 -0.13 0.00 -1.01 0.00 0.00 37.83 35.59 2k3v s LYS 68 CO 0.62 0.05 0.71 0.28 0.51 0.00 0.00 175.35 177.52 2k3v n VAL 69 N 3.51 0.00 -1.86 3.17 0.31 -0.87 -1.85 118.33 120.73 2k3v n VAL 69 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2k3v n VAL 69 Cb 0.53 -0.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.45 2k3v n VAL 69 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2k3v n GLY 70 N 1.03 0.90 3.87 2.92 0.00 -1.26 -4.91 105.19 107.74 2k3v n GLY 70 Ca 0.13 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 2k3v n GLY 70 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k3v s GLU 71 N -3.78 3.34 -0.56 1.61 2.56 -0.77 -5.07 118.70 116.03 2k3v s GLU 71 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 54.97 54.66 2k3v s GLU 71 Cb 0.00 -3.05 0.14 0.00 2.00 0.00 0.00 34.13 33.22 2k3v s GLU 71 CO 0.00 0.68 0.32 0.15 -0.56 0.00 0.00 175.26 175.86 2k3v s LYS 72 N -1.74 2.18 0.14 4.30 1.02 -1.26 -5.05 119.74 119.34 2k3v s LYS 72 Ca 0.24 -2.63 -0.34 0.00 0.02 0.00 0.00 55.97 53.26 2k3v s LYS 72 Cb -0.12 -3.45 -0.16 0.00 -0.52 0.00 0.00 37.83 33.58 2k3v s LYS 72 CO 0.15 -1.13 1.30 -2.30 -0.92 0.00 0.00 175.35 172.44 2k3v n PRO 73 N 3.17 1.34 -3.20 -1.68 -0.02 -1.26 -4.93 135.00 128.41 2k3v n PRO 73 Ca 0.06 0.48 -0.39 0.00 -2.02 0.00 0.00 63.50 61.64 2k3v n PRO 73 Cb 0.34 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 2k3v n PRO 73 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2k3v s THR 74 N 0.19 4.72 0.12 3.45 -4.23 -1.26 -4.89 115.64 113.75 2k3v s THR 74 Ca 0.78 1.32 -0.14 0.00 -1.18 0.00 0.00 61.69 62.46 2k3v s THR 74 Cb -0.85 -3.95 -0.03 0.00 1.34 0.00 0.00 72.50 69.00 2k3v s THR 74 CO 0.48 0.51 1.52 0.00 -0.54 0.00 0.00 174.62 176.60 2k3v h ASP 76 N 0.56 0.00 -0.82 0.00 3.32 -1.62 2.11 116.42 119.96 2k3v h ASP 76 Ca 0.10 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.28 2k3v h ASP 76 Cb 0.63 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.09 2k3v h ASP 76 CO 0.04 0.00 0.41 0.74 -1.72 0.00 0.00 179.24 178.71 2k3v h THR 77 N 0.00 0.74 0.00 0.35 2.02 -1.85 -3.30 112.91 110.87 2k3v h THR 77 Ca 0.86 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.78 2k3v h THR 77 Cb 3.59 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 70.08 2k3v h THR 77 CO -0.01 0.11 -1.16 0.00 0.37 0.00 0.00 175.52 174.83 2k3v s HIS 79 N -2.05 3.51 -0.32 0.00 3.76 0.59 -4.86 115.29 115.92 2k3v s HIS 79 Ca -0.04 -1.73 0.01 0.00 -0.15 0.00 0.00 55.06 53.15 2k3v s HIS 79 Cb 0.01 -3.97 0.38 0.00 1.11 0.00 0.00 32.58 30.11 2k3v s HIS 79 CO 0.05 -1.16 1.71 -0.40 -0.85 0.00 0.00 174.74 174.09 2k3v n ASP 80 N 4.91 4.45 -1.35 1.40 5.68 -1.24 -2.26 116.55 128.14 2k3v n ASP 80 Ca 0.15 -3.08 0.08 0.00 -0.50 0.00 0.00 54.79 51.44 2k3v n ASP 80 Cb 0.47 -0.81 0.32 0.00 -1.14 0.00 0.00 41.12 39.96 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2k3v n ASP 81 N -0.38 4.51 0.00 -1.12 5.68 -1.26 -4.89 116.55 119.09 2k3v n ASP 81 Ca 0.38 -2.64 0.00 0.00 -0.50 0.00 0.00 54.79 52.03 2k3v n ASP 81 Cb 1.05 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 2k3v n ASP 81 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k3v n GLY 82 N 0.52 2.87 2.56 6.12 0.00 -1.26 -5.02 105.19 110.98 2k3v n GLY 82 Ca 0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.85 2k3v n GLY 82 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k3v n ARG 83 N -2.00 0.00 -4.21 1.61 3.00 -1.25 -4.95 116.66 108.86 2k3v n ARG 83 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.70 2k3v n ARG 83 Cb 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 32.46 31.41 2k3v n ARG 83 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2k3v s THR 84 N -0.35 1.06 0.82 5.15 -4.23 -1.26 -4.22 115.64 112.62 2k3v s THR 84 Ca 0.58 -1.81 -0.13 0.00 -1.18 0.00 0.00 61.69 59.16 2k3v s THR 84 Cb -0.82 -1.56 0.09 0.00 1.34 0.00 0.00 72.50 71.54 2k3v s THR 84 CO 0.42 -0.62 1.20 0.00 -0.54 0.00 0.00 174.62 175.08 2k3v s ALA 85 N -2.75 1.79 -2.95 3.99 0.00 -1.26 -5.00 121.76 115.57 2k3v s ALA 85 Ca 0.10 0.80 0.24 0.00 0.00 0.00 0.00 51.96 53.11 2k3v s ALA 85 Cb -0.01 -3.48 0.27 0.00 0.00 0.00 0.00 23.12 19.90 2k3v s ALA 85 CO 0.00 -2.35 1.31 1.17 0.00 0.00 0.00 175.76 175.89