#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3v n ASP 2 N 0.00 0.66 -5.00 0.00 10.43 -1.26 -4.87 116.55 116.50 2k3v n ASP 2 Ca 0.00 0.26 -0.18 0.00 2.57 0.00 0.00 54.79 57.44 2k3v n ASP 2 Cb 0.00 -0.99 0.02 0.00 1.84 0.00 0.00 41.12 41.99 2k3v n ASP 2 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 2k3v s GLU 3 N 8.08 2.76 0.68 -1.24 -1.05 -1.26 -5.00 118.70 121.67 2k3v s GLU 3 Ca 1.28 -1.21 -0.11 0.00 -0.15 0.00 0.00 54.97 54.78 2k3v s GLU 3 Cb -1.21 -2.72 -0.00 0.00 -0.44 0.00 0.00 34.13 29.76 2k3v s GLU 3 CO 0.51 -0.36 1.06 0.95 0.95 0.00 0.00 175.26 178.37 2k3v s THR 4 N -2.42 4.09 0.24 1.83 -4.23 -1.26 -2.44 115.64 111.45 2k3v s THR 4 Ca 0.56 0.68 -0.05 0.00 -1.18 0.00 0.00 61.69 61.69 2k3v s THR 4 Cb -0.10 -3.53 0.15 0.00 1.34 0.00 0.00 72.50 70.36 2k3v s THR 4 CO 0.34 -0.89 1.78 0.25 -0.54 0.00 0.00 174.62 175.56 2k3v h LEU 5 N -0.63 0.98 -1.94 4.79 5.85 -1.52 -1.10 115.31 121.75 2k3v h LEU 5 Ca -0.44 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 2k3v h LEU 5 Cb 1.21 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 2k3v h LEU 5 CO 0.59 0.91 -0.04 0.00 -0.34 0.00 0.00 178.44 179.57 2k3v h ALA 6 N 1.22 1.93 0.37 1.25 0.00 -1.86 -2.03 119.26 120.14 2k3v h ALA 6 Ca 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2k3v h ALA 6 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2k3v h ALA 6 CO -0.01 0.04 -0.18 0.93 0.00 0.00 0.00 179.25 180.04 2k3v h GLU 7 N 0.00 -0.47 -1.02 0.00 4.39 -1.55 -1.61 114.58 114.31 2k3v h GLU 7 Ca -0.00 0.03 0.33 0.00 0.34 0.00 0.00 59.36 60.06 2k3v h GLU 7 Cb 0.06 0.11 -0.15 0.00 -0.10 0.00 0.00 28.75 28.67 2k3v h GLU 7 CO 0.00 -0.30 0.59 0.35 -1.16 0.00 0.00 179.01 178.49 2k3v h PHE 8 N -1.13 0.90 -0.20 4.33 3.57 -1.12 1.17 116.94 124.47 2k3v h PHE 8 Ca -0.05 0.04 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 2k3v h PHE 8 Cb 0.39 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.89 2k3v h PHE 8 CO 0.00 -0.18 -0.64 0.45 -2.23 0.00 0.00 178.31 175.71 2k3v h HIS 9 N 0.30 0.92 0.40 0.41 3.86 -1.41 -3.08 115.15 116.55 2k3v h HIS 9 Ca 0.74 -0.36 -0.01 0.00 -1.16 0.00 0.00 60.37 59.58 2k3v h HIS 9 Cb 1.75 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 30.05 2k3v h HIS 9 CO -0.01 1.16 -0.29 0.28 0.86 0.00 0.00 177.93 179.93 2k3v h VAL 10 N 0.52 0.40 0.00 2.45 2.07 0.23 0.17 116.25 122.10 2k3v h VAL 10 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2k3v h VAL 10 Cb 1.23 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 2k3v h VAL 10 CO 0.13 0.00 0.35 -0.08 0.02 0.00 0.00 177.57 177.99 2k3v h GLU 11 N -0.68 0.00 -0.55 1.57 4.81 -0.90 1.58 114.58 120.40 2k3v h GLU 11 Ca -0.04 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 2k3v h GLU 11 Cb 0.57 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2k3v h GLU 11 CO 0.01 0.00 0.00 -1.33 -0.73 0.00 0.00 179.01 176.96 2k3v n MET 12 N -2.84 4.10 0.00 1.92 2.81 -0.00 -4.88 117.12 118.22 2k3v n MET 12 Ca -0.02 -2.97 0.00 0.00 -1.81 0.00 0.00 57.70 52.90 2k3v n MET 12 Cb 0.40 -2.02 0.00 0.00 -0.71 0.00 0.00 33.22 30.88 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 0.67 -2.10 0.00 3.03 0.00 0.50 -5.03 105.19 102.26 2k3v n GLY 13 Ca 0.26 0.68 0.00 0.00 0.00 0.00 0.00 46.02 46.96 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 -1.36 0.18 -0.02 0.00 1.00 -4.91 105.19 100.08 2k3v n GLY 14 Ca 0.00 -1.23 0.14 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.56 1.37 0.19 0.00 1.02 -1.26 -3.01 120.64 116.39 2k3v n GLU 16 Ca 0.02 -0.48 0.06 0.00 -0.02 0.00 0.00 57.16 56.74 2k3v n GLU 16 Cb 0.27 -1.20 0.35 0.00 -0.02 0.00 0.00 31.44 30.85 2k3v n GLU 16 CO 0.00 0.00 0.00 -0.97 1.18 0.00 0.00 177.13 177.34 2k3v h ASN 17 N 0.75 0.00 0.00 1.62 -1.24 -1.69 -3.30 115.58 111.72 2k3v h ASN 17 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 2k3v h ASN 17 Cb 0.28 0.00 -0.17 0.00 0.73 0.00 0.00 38.32 39.16 2k3v h ASN 17 CO 0.02 0.34 -0.57 0.00 -1.29 0.00 0.00 177.43 175.93 2k3v s HIS 19 N 0.00 -0.24 -0.35 0.00 3.76 -1.16 -4.86 115.29 112.43 2k3v s HIS 19 Ca 0.12 0.61 -0.16 0.00 -0.15 0.00 0.00 55.06 55.48 2k3v s HIS 19 Cb 0.14 0.00 -0.01 0.00 1.11 0.00 0.00 32.58 33.83 2k3v s HIS 19 CO -0.06 -0.18 0.42 0.00 -0.85 0.00 0.00 174.74 174.07 2k3v s ALA 20 N 0.98 3.48 -1.31 -1.40 0.00 -1.26 -4.14 121.76 118.11 2k3v s ALA 20 Ca -0.07 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.72 2k3v s ALA 20 Cb -0.09 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.12 2k3v s ALA 20 CO -0.06 -1.17 0.00 -0.25 0.00 0.00 0.00 175.76 174.29 2k3v n ASP 21 N 5.53 -4.41 -3.31 0.00 10.43 -1.26 -1.69 116.55 121.83 2k3v n ASP 21 Ca -0.07 0.17 -0.17 0.00 2.57 0.00 0.00 54.79 57.28 2k3v n ASP 21 Cb 0.49 -3.76 0.07 0.00 1.84 0.00 0.00 41.12 39.76 2k3v n ASP 21 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2k3v n GLY 22 N -0.79 -1.13 2.51 0.44 0.00 -1.26 -4.98 105.19 99.98 2k3v n GLY 22 Ca -0.17 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 2k3v n GLY 22 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k3v n GLU 23 N -3.37 0.90 -1.11 1.61 2.13 -0.68 -5.13 120.64 114.99 2k3v n GLU 23 Ca -0.08 -2.46 -0.41 0.00 0.66 0.00 0.00 57.16 54.87 2k3v n GLU 23 Cb 0.62 -1.33 -0.04 0.00 0.27 0.00 0.00 31.44 30.95 2k3v n GLU 23 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 2k3v n PRO 24 N 0.80 0.00 -0.71 5.31 -0.02 -1.26 -4.61 135.00 134.50 2k3v n PRO 24 Ca 0.14 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.30 2k3v n PRO 24 Cb 0.65 -0.96 0.15 0.00 -0.02 0.00 0.00 33.50 33.32 2k3v n PRO 24 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2k3v n SER 25 N 1.35 -1.18 -2.07 2.55 2.88 -1.26 -4.88 113.62 111.00 2k3v n SER 25 Ca 0.15 0.29 -0.16 0.00 -1.33 0.00 0.00 58.87 57.82 2k3v n SER 25 Cb 0.13 -1.29 0.21 0.00 -0.75 0.00 0.00 64.21 62.51 2k3v n SER 25 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2k3v n LYS 26 N -2.93 2.70 0.09 -1.46 2.85 -1.26 -4.44 118.16 113.70 2k3v n LYS 26 Ca 0.08 -2.83 0.00 0.00 -1.05 0.00 0.00 58.31 54.51 2k3v n LYS 26 Cb 0.54 -2.12 0.00 0.00 -0.65 0.00 0.00 35.03 32.79 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 -0.69 -0.08 0.00 -5.58 5.68 -1.26 -5.08 116.55 109.55 2k3v n ASP 27 Ca 0.49 0.30 0.00 0.00 -0.50 0.00 0.00 54.79 55.08 2k3v n ASP 27 Cb 1.50 0.24 0.00 0.00 -1.14 0.00 0.00 41.12 41.72 2k3v n ASP 27 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2k3v n GLY 28 N 1.60 4.02 0.41 6.12 0.00 -1.26 -4.97 105.19 111.10 2k3v n GLY 28 Ca 0.00 -0.95 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.60 -0.99 4.61 0.00 -1.98 0.14 119.26 120.44 2k3v h ALA 29 Ca 0.00 -0.00 0.34 0.00 0.00 0.00 0.00 54.91 55.25 2k3v h ALA 29 Cb 0.00 0.83 -0.18 0.00 0.00 0.00 0.00 17.79 18.44 2k3v h ALA 29 CO 0.00 -0.93 0.29 -0.92 0.00 0.00 0.00 179.25 177.69 2k3v h TYR 30 N -0.47 0.41 0.14 0.00 3.20 -1.98 0.36 116.97 118.63 2k3v h TYR 30 Ca 0.08 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 2k3v h TYR 30 Cb 0.63 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.88 2k3v h TYR 30 CO -0.52 -0.43 -0.07 0.93 -1.64 0.00 0.00 178.16 176.43 2k3v h GLU 31 N 0.03 -0.19 -1.10 1.82 3.07 -1.20 -3.04 114.58 113.98 2k3v h GLU 31 Ca 0.71 0.01 0.32 0.00 -0.50 0.00 0.00 59.36 59.91 2k3v h GLU 31 Cb 1.70 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 29.61 2k3v h GLU 31 CO -0.83 0.25 1.09 0.35 -1.40 0.00 0.00 179.01 178.47 2k3v h PHE 32 N -0.73 0.00 -0.49 4.33 3.57 0.21 1.34 116.94 125.17 2k3v h PHE 32 Ca -0.02 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.43 2k3v h PHE 32 Cb 0.52 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.24 2k3v h PHE 32 CO 0.08 0.00 0.12 0.93 -2.23 0.00 0.00 178.31 177.21 2k3v h GLU 33 N 0.00 0.78 -0.85 1.11 5.08 -1.08 -2.31 114.58 117.30 2k3v h GLU 33 Ca 0.52 -0.19 0.23 0.00 -1.00 0.00 0.00 59.36 58.92 2k3v h GLU 33 Cb 2.69 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 31.79 2k3v h GLU 33 CO -0.01 0.76 0.59 1.96 -1.00 0.00 0.00 179.01 181.32 2k3v h GLN 34 N 0.66 0.15 -1.97 2.33 1.08 0.17 -0.21 115.11 117.32 2k3v h GLN 34 Ca 0.15 -0.01 -0.34 0.00 -1.45 0.00 0.00 58.65 57.00 2k3v h GLN 34 Cb 0.33 -0.03 -0.12 0.00 -0.05 0.00 0.00 27.48 27.60 2k3v h GLN 34 CO 0.00 0.10 0.05 0.00 -0.95 0.00 0.00 178.83 178.03 2k3v n GLN 36 N 1.56 0.80 0.00 0.00 7.27 -0.09 -4.55 117.38 122.38 2k3v n GLN 36 Ca 0.44 -2.26 0.00 0.00 0.07 0.00 0.00 57.00 55.24 2k3v n GLN 36 Cb 0.71 -1.36 0.00 0.00 2.41 0.00 0.00 30.24 32.00 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 1.34 0.00 0.00 1.69 7.64 -1.26 -4.83 113.62 118.20 2k3v n SER 37 Ca 0.13 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.08 2k3v n SER 37 Cb 0.61 0.21 0.32 0.00 -1.01 0.00 0.00 64.21 64.34 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 -1.47 0.00 -1.05 0.00 -0.00 -1.26 -5.18 115.22 106.27 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 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.15 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 4.69 -0.18 3.64 -1.41 0.00 -1.26 -5.05 105.19 105.62 2k3v n GLY 40 Ca 0.00 -1.09 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 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 4.82 0.43 1.61 0.15 -1.26 -4.43 113.70 111.02 2k3v s SER 41 Ca 0.00 -0.16 0.16 0.00 0.70 0.00 0.00 55.95 56.65 2k3v s SER 41 Cb 0.00 -1.14 1.06 0.00 -1.71 0.00 0.00 66.02 64.23 2k3v s SER 41 CO 0.00 0.24 1.94 -0.07 1.20 0.00 0.00 173.24 176.55 2k3v h LEU 42 N 4.05 0.37 0.00 3.45 3.38 -1.94 1.38 115.31 125.99 2k3v h LEU 42 Ca -0.48 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k3v h LEU 42 Cb 1.17 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2k3v h LEU 42 CO 0.56 0.20 0.00 0.00 0.09 0.00 0.00 178.44 179.29 2k3v n ALA 43 N -2.53 1.96 -1.47 1.53 0.00 -1.26 -1.83 120.51 116.92 2k3v n ALA 43 Ca 0.13 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.56 2k3v n ALA 43 Cb 0.49 -1.29 0.17 0.00 0.00 0.00 0.00 19.45 18.82 2k3v n ALA 43 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2k3v n GLU 44 N -1.27 1.33 -2.39 0.00 4.07 0.47 -4.95 120.64 117.89 2k3v n GLU 44 Ca 0.09 -2.88 -0.07 0.00 -0.06 0.00 0.00 57.16 54.24 2k3v n GLU 44 Cb 0.14 -1.44 -0.01 0.00 -0.06 0.00 0.00 31.44 30.06 2k3v n GLU 44 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 2k3v n MET 45 N -1.11 1.57 -0.52 5.31 2.81 -0.76 -4.73 117.12 119.69 2k3v n MET 45 Ca 0.16 -0.82 -0.17 0.00 -1.81 0.00 0.00 57.70 55.06 2k3v n MET 45 Cb 0.70 0.17 0.15 0.00 -0.71 0.00 0.00 33.22 33.53 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 -1.40 -3.03 -0.22 7.83 5.68 -1.26 -4.53 116.55 119.62 2k3v n ASP 46 Ca -0.03 -0.40 0.03 0.00 -0.50 0.00 0.00 54.79 53.89 2k3v n ASP 46 Cb 0.14 -0.76 0.13 0.00 -1.14 0.00 0.00 41.12 39.49 2k3v n ASP 46 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2k3v n ASP 47 N -1.30 0.64 -0.08 -1.12 -0.08 -1.26 -2.32 116.55 111.03 2k3v n ASP 47 Ca 0.06 -1.92 -0.08 0.00 -1.51 0.00 0.00 54.79 51.35 2k3v n ASP 47 Cb 0.34 -0.07 -0.13 0.00 2.34 0.00 0.00 41.12 43.60 2k3v n ASP 47 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2k3v n ASN 48 N -0.19 0.89 0.02 1.67 3.02 -1.26 -4.24 115.26 115.16 2k3v n ASN 48 Ca 0.06 0.00 -0.17 0.00 -0.03 0.00 0.00 54.58 54.44 2k3v n ASN 48 Cb 0.11 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 0.45 -2.62 0.00 0.00 177.26 175.09 2k3v h HIS 49 N 0.00 0.37 0.17 3.10 3.86 -1.82 -3.39 115.15 117.45 2k3v h HIS 49 Ca -0.44 -0.27 0.00 0.00 -1.16 0.00 0.00 60.37 58.50 2k3v h HIS 49 Cb 2.00 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 30.42 2k3v h HIS 49 CO 0.00 1.50 -0.41 0.87 0.86 0.00 0.00 177.93 180.75 2k3v h LYS 50 N 0.06 -0.62 -0.31 2.45 1.57 -1.29 -1.16 116.57 117.27 2k3v h LYS 50 Ca -0.35 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.58 2k3v h LYS 50 Cb 2.03 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 34.42 2k3v h LYS 50 CO 0.11 -0.41 0.07 -2.30 -0.57 0.00 0.00 179.45 176.34 2k3v n PRO 51 N -4.80 -0.02 -0.05 3.15 -0.02 -1.26 0.11 135.00 132.11 2k3v n PRO 51 Ca -0.07 0.45 -0.01 0.00 -2.02 0.00 0.00 63.50 61.85 2k3v n PRO 51 Cb 0.33 -0.75 -0.00 0.00 -0.02 0.00 0.00 33.50 33.06 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 -1.07 6.00 3.86 -1.58 -3.48 115.15 118.88 2k3v h HIS 52 Ca 0.22 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.43 2k3v h HIS 52 Cb 0.51 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.98 2k3v h HIS 52 CO -0.10 0.00 -0.01 -3.47 0.86 0.00 0.00 177.93 175.21 2k3v n ASP 53 N -4.44 -0.08 -1.13 2.45 2.03 0.30 -3.60 116.55 112.09 2k3v n ASP 53 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k3v n ASP 53 Cb 0.03 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.41 2k3v n ASP 53 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k3v n GLY 54 N 0.50 0.63 1.08 0.27 0.00 -1.26 -4.96 105.19 101.46 2k3v n GLY 54 Ca -0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.02 0.00 -3.78 0.99 4.77 -1.24 -5.14 117.00 111.59 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 0.38 0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.53 2k3v n LEU 55 CO 0.00 -0.27 -0.01 -1.48 -1.33 0.00 0.00 177.39 174.30 2k3v s LEU 56 N -4.08 1.01 0.84 2.23 0.05 -1.26 -5.17 118.68 112.30 2k3v s LEU 56 Ca 0.00 -0.16 -0.12 0.00 0.05 0.00 0.00 54.13 53.91 2k3v s LEU 56 Cb 0.00 1.21 0.09 0.00 -2.05 0.00 0.00 46.19 45.45 2k3v s LEU 56 CO 0.00 -0.55 1.12 -0.04 -0.55 0.00 0.00 176.35 176.33 2k3v s MET 57 N -2.17 1.74 0.00 1.48 -1.94 -1.26 -4.95 119.30 112.19 2k3v s MET 57 Ca -0.08 0.46 0.00 0.00 -1.71 0.00 0.00 55.69 54.36 2k3v s MET 57 Cb -0.02 -1.89 0.00 0.00 2.01 0.00 0.00 34.83 34.92 2k3v s MET 57 CO -0.01 -1.82 0.91 0.00 -0.01 0.00 0.00 175.02 174.09 2k3v n ALA 59 N -1.87 -0.09 -0.49 0.00 0.00 -1.26 0.26 120.51 117.06 2k3v n ALA 59 Ca 0.00 0.97 0.38 0.00 0.00 0.00 0.00 53.44 54.79 2k3v n ALA 59 Cb 0.00 -0.45 0.61 0.00 0.00 0.00 0.00 19.45 19.61 2k3v n ALA 59 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2k3v n ASP 60 N -5.43 0.08 -0.09 0.00 9.92 -1.18 0.19 116.55 120.03 2k3v n ASP 60 Ca 0.10 0.94 -0.15 0.00 -0.53 0.00 0.00 54.79 55.15 2k3v n ASP 60 Cb 0.39 -0.46 -0.07 0.00 -0.64 0.00 0.00 41.12 40.34 2k3v n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k3v n HIS 62 N -3.34 2.58 -1.49 0.00 8.25 0.56 -4.75 115.22 117.04 2k3v n HIS 62 Ca -0.32 -2.30 -0.37 0.00 -0.26 0.00 0.00 57.72 54.46 2k3v n HIS 62 Cb 0.79 -1.29 -0.16 0.00 1.12 0.00 0.00 29.99 30.45 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 0.05 0.44 0.28 -1.41 0.00 0.50 -4.33 120.51 116.04 2k3v n ALA 63 Ca 0.52 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 2k3v n ALA 63 Cb 0.31 -2.27 -0.08 0.00 0.00 0.00 0.00 19.45 17.41 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 11.70 -0.68 -3.15 0.00 0.11 -1.87 1.42 132.00 139.52 2k3v h PRO 64 Ca -0.03 0.05 -0.67 0.00 0.11 0.00 0.00 66.00 65.46 2k3v h PRO 64 Cb 1.26 0.16 0.02 0.00 0.11 0.00 0.00 31.00 32.55 2k3v h PRO 64 CO 1.42 -0.40 3.74 0.72 -0.21 0.00 0.00 178.00 183.27 2k3v n HIS 65 N -5.34 2.54 0.00 0.65 8.25 -1.26 -3.38 115.22 116.68 2k3v n HIS 65 Ca -0.12 -3.05 0.00 0.00 -0.26 0.00 0.00 57.72 54.29 2k3v n HIS 65 Cb 0.32 -2.49 0.00 0.00 1.12 0.00 0.00 29.99 28.94 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 3.94 0.00 -1.23 -0.41 2.13 -1.20 -5.13 120.64 118.74 2k3v n GLU 66 Ca 0.75 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 58.28 2k3v n GLU 66 Cb 0.25 0.00 0.16 0.00 0.27 0.00 0.00 31.44 32.12 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 1.17 -0.02 4.31 0.00 0.48 -4.96 121.76 122.75 2k3v s ALA 67 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.66 2k3v s ALA 67 Cb 0.00 -3.12 -0.00 0.00 0.00 0.00 0.00 23.12 20.00 2k3v s ALA 67 CO 0.00 -2.67 -0.10 -1.59 0.00 0.00 0.00 175.76 171.39 2k3v s LYS 68 N -5.01 0.98 -0.02 0.00 -2.85 -1.26 -2.70 119.74 108.88 2k3v s LYS 68 Ca 0.65 -0.36 -0.32 0.00 -1.00 0.00 0.00 55.97 54.93 2k3v s LYS 68 Cb -0.18 -0.92 -0.16 0.00 -2.06 0.00 0.00 37.83 34.51 2k3v s LYS 68 CO 0.57 0.17 0.88 0.28 0.10 0.00 0.00 175.35 177.35 2k3v n VAL 69 N 3.07 0.00 -1.95 1.79 0.31 -1.02 -1.63 118.33 118.89 2k3v n VAL 69 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 2k3v n VAL 69 Cb 0.55 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 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 1.31 0.88 3.75 2.92 0.00 -1.26 -4.93 105.19 107.86 2k3v n GLY 70 Ca 0.16 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 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 -3.95 3.28 -0.45 1.61 2.12 -0.65 -5.07 118.70 115.58 2k3v s GLU 71 Ca 0.00 -0.29 -0.01 0.00 0.36 0.00 0.00 54.97 55.03 2k3v s GLU 71 Cb 0.00 -2.99 0.12 0.00 0.26 0.00 0.00 34.13 31.52 2k3v s GLU 71 CO 0.00 0.68 0.23 0.15 -0.54 0.00 0.00 175.26 175.78 2k3v s LYS 72 N -0.79 2.00 0.29 4.30 1.02 -1.26 -5.03 119.74 120.27 2k3v s LYS 72 Ca 0.13 -2.08 -0.29 0.00 0.02 0.00 0.00 55.97 53.75 2k3v s LYS 72 Cb -0.12 -3.50 -0.13 0.00 -0.52 0.00 0.00 37.83 33.56 2k3v s LYS 72 CO 0.03 -1.07 1.16 -2.30 -0.92 0.00 0.00 175.35 172.25 2k3v n PRO 73 N 4.10 1.67 -3.45 -1.68 -0.02 -1.26 -4.95 135.00 129.41 2k3v n PRO 73 Ca 0.02 0.59 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 2k3v n PRO 73 Cb 0.40 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.74 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 -0.89 5.10 0.16 3.45 -4.23 -1.26 -4.92 115.64 113.05 2k3v s THR 74 Ca 0.60 0.85 -0.11 0.00 -1.18 0.00 0.00 61.69 61.84 2k3v s THR 74 Cb -0.66 -3.74 0.04 0.00 1.34 0.00 0.00 72.50 69.48 2k3v s THR 74 CO 0.59 0.49 1.62 0.00 -0.54 0.00 0.00 174.62 176.78 2k3v h ASP 76 N 0.82 0.00 -0.83 0.00 1.82 -1.65 2.16 116.42 118.74 2k3v h ASP 76 Ca 0.16 0.00 0.10 0.00 -0.39 0.00 0.00 57.03 56.89 2k3v h ASP 76 Cb 0.51 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 40.45 2k3v h ASP 76 CO 0.02 0.00 0.48 0.74 -1.61 0.00 0.00 179.24 178.87 2k3v h THR 77 N 0.00 0.91 0.00 2.25 2.02 -1.79 -3.31 112.91 112.98 2k3v h THR 77 Ca 0.73 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 67.54 2k3v h THR 77 Cb 3.24 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 2k3v h THR 77 CO -0.01 0.15 -1.29 0.00 0.37 0.00 0.00 175.52 174.74 2k3v s HIS 79 N -2.11 3.36 -0.27 0.00 3.76 0.60 -4.85 115.29 115.79 2k3v s HIS 79 Ca -0.08 -1.58 0.02 0.00 -0.15 0.00 0.00 55.06 53.27 2k3v s HIS 79 Cb 0.03 -4.06 0.38 0.00 1.11 0.00 0.00 32.58 30.04 2k3v s HIS 79 CO 0.10 -1.26 1.58 -0.40 -0.85 0.00 0.00 174.74 173.91 2k3v n ASP 80 N 5.47 3.71 -1.45 1.40 5.68 -1.25 -2.47 116.55 127.65 2k3v n ASP 80 Ca 0.15 -2.97 0.09 0.00 -0.50 0.00 0.00 54.79 51.57 2k3v n ASP 80 Cb 0.47 -0.73 0.33 0.00 -1.14 0.00 0.00 41.12 40.06 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 -0.42 4.57 0.00 -1.12 5.68 -1.26 -4.89 116.55 119.11 2k3v n ASP 81 Ca 0.35 -2.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.16 2k3v n ASP 81 Cb 1.14 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 40.57 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 0.89 2.35 2.68 6.12 0.00 -1.25 -5.02 105.19 110.96 2k3v n GLY 82 Ca 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.82 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 -4.28 1.61 3.00 -1.25 -4.94 116.66 108.80 2k3v n ARG 83 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.67 2k3v n ARG 83 Cb 0.00 -1.12 -0.11 0.00 0.00 0.00 0.00 32.46 31.23 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 -0.07 1.46 1.02 5.15 -4.23 -1.26 -4.17 115.64 113.54 2k3v s THR 84 Ca 0.68 -1.90 -0.11 0.00 -1.18 0.00 0.00 61.69 59.17 2k3v s THR 84 Cb -0.95 -1.73 0.19 0.00 1.34 0.00 0.00 72.50 71.34 2k3v s THR 84 CO 0.44 -0.49 1.00 0.00 -0.54 0.00 0.00 174.62 175.03 2k3v n ALA 85 N 0.20 -1.81 -0.32 3.99 0.00 -1.26 -5.02 120.51 116.30 2k3v n ALA 85 Ca -0.13 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2k3v n ALA 85 Cb 0.58 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.96 2k3v n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13