#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 0.00 -4.12 0.00 3.85 -1.26 -5.17 116.55 109.86 2k3v n ASP 2 Ca 0.00 0.00 -0.23 0.00 -0.71 0.00 0.00 54.79 53.85 2k3v n ASP 2 Cb 0.00 0.00 -0.15 0.00 -1.35 0.00 0.00 41.12 39.62 2k3v n ASP 2 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.20 174.36 2k3v s GLU 3 N 0.00 1.31 1.00 0.11 -1.05 -1.26 -5.09 118.70 113.72 2k3v s GLU 3 Ca 0.00 -0.54 -0.11 0.00 -0.15 0.00 0.00 54.97 54.17 2k3v s GLU 3 Cb 0.00 -1.23 0.18 0.00 -0.44 0.00 0.00 34.13 32.64 2k3v s GLU 3 CO 0.00 0.30 1.05 0.25 0.95 0.00 0.00 175.26 177.81 2k3v n THR 4 N 2.83 0.00 -0.13 1.83 -2.24 -1.26 -2.41 114.28 112.90 2k3v n THR 4 Ca -0.15 -0.14 -0.11 0.00 -2.27 0.00 0.00 64.05 61.38 2k3v n THR 4 Cb 0.54 -0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 67.78 2k3v n THR 4 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k3v h LEU 5 N -2.12 0.70 -2.15 3.22 5.85 -1.56 -1.31 115.31 117.95 2k3v h LEU 5 Ca -0.48 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 57.91 2k3v h LEU 5 Cb 1.29 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 2k3v h LEU 5 CO 0.43 0.89 0.06 0.00 -0.34 0.00 0.00 178.44 179.47 2k3v h ALA 6 N 0.84 1.91 0.07 1.25 0.00 -1.88 -1.43 119.26 120.01 2k3v h ALA 6 Ca 0.10 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k3v h ALA 6 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k3v h ALA 6 CO 0.03 -0.10 -0.03 0.93 0.00 0.00 0.00 179.25 180.08 2k3v h GLU 7 N 0.00 -0.09 -0.95 0.00 4.39 -1.72 -1.79 114.58 114.43 2k3v h GLU 7 Ca 0.03 0.01 0.20 0.00 0.34 0.00 0.00 59.36 59.94 2k3v h GLU 7 Cb 0.15 0.02 -0.08 0.00 -0.10 0.00 0.00 28.75 28.74 2k3v h GLU 7 CO -0.00 0.50 0.61 0.35 -1.16 0.00 0.00 179.01 179.30 2k3v h PHE 8 N -0.83 0.71 -0.01 4.33 3.57 -0.64 0.36 116.94 124.42 2k3v h PHE 8 Ca -0.01 0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.30 2k3v h PHE 8 Cb 0.62 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.14 2k3v h PHE 8 CO 0.14 0.18 -0.88 0.45 -2.23 0.00 0.00 178.31 175.96 2k3v h HIS 9 N 0.53 0.48 0.68 0.41 3.86 -1.32 -3.16 115.15 116.63 2k3v h HIS 9 Ca 0.51 -0.26 -0.03 0.00 -1.16 0.00 0.00 60.37 59.43 2k3v h HIS 9 Cb 1.10 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.51 2k3v h HIS 9 CO -0.00 1.06 -0.37 0.28 0.86 0.00 0.00 177.93 179.76 2k3v h VAL 10 N 0.19 0.24 0.00 2.45 2.07 0.56 -0.64 116.25 121.11 2k3v h VAL 10 Ca -0.06 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2k3v h VAL 10 Cb 1.51 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 2k3v h VAL 10 CO 0.15 0.00 0.36 -0.08 0.02 0.00 0.00 177.57 178.02 2k3v h GLU 11 N -0.98 0.00 -0.60 1.57 4.57 -1.18 1.64 114.58 119.60 2k3v h GLU 11 Ca -0.09 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 2k3v h GLU 11 Cb 0.77 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.36 2k3v h GLU 11 CO 0.12 0.00 0.00 -1.33 -1.18 0.00 0.00 179.01 176.62 2k3v n MET 12 N -2.84 4.17 0.00 1.92 2.81 -0.30 -4.87 117.12 118.00 2k3v n MET 12 Ca -0.02 -3.00 0.00 0.00 -1.81 0.00 0.00 57.70 52.88 2k3v n MET 12 Cb 0.40 -2.04 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 0.84 -2.03 0.00 3.03 0.00 0.51 -5.03 105.19 102.52 2k3v n GLY 13 Ca 0.26 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.95 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 -1.01 0.25 -0.02 0.00 0.15 -4.91 105.19 99.65 2k3v n GLY 14 Ca 0.00 -1.26 0.14 0.00 0.00 0.00 0.00 46.02 44.90 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 -3.14 1.38 0.17 0.00 4.71 -1.26 -2.99 120.64 119.50 2k3v n GLU 16 Ca 0.02 -0.45 0.03 0.00 -0.01 0.00 0.00 57.16 56.74 2k3v n GLU 16 Cb 0.40 -1.24 0.29 0.00 -1.01 0.00 0.00 31.44 29.89 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 0.69 0.00 0.00 1.62 -1.24 -1.78 -3.30 115.58 111.57 2k3v h ASN 17 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 2k3v h ASN 17 Cb 0.32 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 2k3v h ASN 17 CO 0.02 0.46 -0.45 0.00 -1.29 0.00 0.00 177.43 176.17 2k3v s HIS 19 N 0.00 0.34 -0.23 0.00 3.76 -1.16 -4.87 115.29 113.13 2k3v s HIS 19 Ca 0.03 -0.00 -0.21 0.00 -0.15 0.00 0.00 55.06 54.73 2k3v s HIS 19 Cb 0.04 -0.45 -0.02 0.00 1.11 0.00 0.00 32.58 33.26 2k3v s HIS 19 CO -0.02 -0.15 0.64 0.00 -0.85 0.00 0.00 174.74 174.36 2k3v s ALA 20 N 1.14 3.58 -1.74 -1.40 0.00 -1.26 -4.05 121.76 118.03 2k3v s ALA 20 Ca -0.08 -0.34 -0.21 0.00 0.00 0.00 0.00 51.96 51.33 2k3v s ALA 20 Cb -0.13 -3.01 0.20 0.00 0.00 0.00 0.00 23.12 20.17 2k3v s ALA 20 CO -0.02 -0.69 0.64 -3.47 0.00 0.00 0.00 175.76 172.22 2k3v n ASP 21 N 5.41 -2.38 -3.57 0.00 2.03 -1.26 0.35 116.55 117.13 2k3v n ASP 21 Ca -0.01 -1.08 -0.22 0.00 0.52 0.00 0.00 54.79 54.00 2k3v n ASP 21 Cb 0.49 -2.02 0.05 0.00 -0.72 0.00 0.00 41.12 38.92 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 -1.15 -0.71 2.43 0.27 0.00 -1.26 -4.97 105.19 99.80 2k3v n GLY 22 Ca 0.10 0.33 -0.23 0.00 0.00 0.00 0.00 46.02 46.22 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 -3.98 0.31 -1.60 1.61 4.07 0.16 -5.12 120.64 116.09 2k3v n GLU 23 Ca -0.18 -2.98 -0.51 0.00 -0.06 0.00 0.00 57.16 53.42 2k3v n GLU 23 Cb 0.64 -1.58 -0.06 0.00 -0.06 0.00 0.00 31.44 30.38 2k3v n GLU 23 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2k3v n PRO 24 N 2.66 1.25 -0.72 5.31 -0.02 -1.26 -4.29 135.00 137.93 2k3v n PRO 24 Ca 0.27 0.45 -0.32 0.00 -2.02 0.00 0.00 63.50 61.88 2k3v n PRO 24 Cb 0.50 -2.11 0.15 0.00 -0.02 0.00 0.00 33.50 32.02 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 2.60 -1.08 -1.72 2.55 2.88 -1.26 -4.92 113.62 112.67 2k3v n SER 25 Ca 0.18 0.32 -0.18 0.00 -1.33 0.00 0.00 58.87 57.87 2k3v n SER 25 Cb 0.20 -1.31 0.11 0.00 -0.75 0.00 0.00 64.21 62.47 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 2.62 0.11 -1.46 2.85 -1.26 -4.66 118.16 113.43 2k3v n LYS 26 Ca 0.08 -3.54 0.00 0.00 -1.05 0.00 0.00 58.31 53.80 2k3v n LYS 26 Cb 0.53 -2.08 0.00 0.00 -0.65 0.00 0.00 35.03 32.83 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 -0.95 -0.56 0.00 -5.58 5.75 -1.26 -5.08 116.55 108.88 2k3v n ASP 27 Ca 0.44 0.37 0.00 0.00 -0.01 0.00 0.00 54.79 55.59 2k3v n ASP 27 Cb 0.95 0.68 0.00 0.00 -1.03 0.00 0.00 41.12 41.72 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 1.02 3.91 0.24 6.12 0.00 -1.26 -4.96 105.19 110.26 2k3v n GLY 28 Ca 0.00 -0.91 -0.06 0.00 0.00 0.00 0.00 46.02 45.05 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 0.09 -0.90 4.61 0.00 -1.98 0.12 119.26 121.21 2k3v h ALA 29 Ca 0.00 0.13 0.23 0.00 0.00 0.00 0.00 54.91 55.28 2k3v h ALA 29 Cb 0.00 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 18.10 2k3v h ALA 29 CO 0.00 -0.56 0.36 -0.92 0.00 0.00 0.00 179.25 178.14 2k3v h TYR 30 N -0.12 0.59 0.06 0.00 3.20 -1.99 0.28 116.97 118.98 2k3v h TYR 30 Ca 0.18 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 2k3v h TYR 30 Cb 0.40 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2k3v h TYR 30 CO -0.41 -0.10 -0.03 0.93 -1.64 0.00 0.00 178.16 176.91 2k3v h GLU 31 N 0.34 -0.08 -0.94 1.82 4.39 -1.22 -2.91 114.58 115.98 2k3v h GLU 31 Ca 0.57 0.01 0.27 0.00 0.34 0.00 0.00 59.36 60.55 2k3v h GLU 31 Cb 1.13 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.76 2k3v h GLU 31 CO -0.57 0.35 0.94 0.35 -1.16 0.00 0.00 179.01 178.92 2k3v h PHE 32 N -0.53 0.00 -0.28 4.33 3.57 0.12 1.07 116.94 125.21 2k3v h PHE 32 Ca -0.01 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 2k3v h PHE 32 Cb 0.47 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 2k3v h PHE 32 CO 0.07 0.00 -0.22 0.93 -2.23 0.00 0.00 178.31 176.86 2k3v h GLU 33 N 0.00 0.65 -0.95 1.11 4.39 -1.08 -2.96 114.58 115.74 2k3v h GLU 33 Ca 0.45 -0.32 0.20 0.00 0.34 0.00 0.00 59.36 60.02 2k3v h GLU 33 Cb 2.32 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 30.89 2k3v h GLU 33 CO -0.00 0.92 0.61 1.96 -1.16 0.00 0.00 179.01 181.33 2k3v h GLN 34 N 0.38 0.54 -2.00 2.33 1.08 0.11 -0.11 115.11 117.44 2k3v h GLN 34 Ca 0.05 -0.03 -0.35 0.00 -1.45 0.00 0.00 58.65 56.87 2k3v h GLN 34 Cb 0.78 -0.12 -0.13 0.00 -0.05 0.00 0.00 27.48 27.96 2k3v h GLN 34 CO 0.06 0.36 0.03 0.00 -0.95 0.00 0.00 178.83 178.32 2k3v n GLN 36 N 1.63 0.84 0.00 0.00 7.27 -0.06 -4.45 117.38 122.61 2k3v n GLN 36 Ca 0.46 -2.46 0.00 0.00 0.07 0.00 0.00 57.00 55.07 2k3v n GLN 36 Cb 0.72 -1.35 0.00 0.00 2.41 0.00 0.00 30.24 32.03 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 1.11 0.00 0.00 1.69 7.64 -1.26 -4.82 113.62 117.98 2k3v n SER 37 Ca 0.14 0.00 0.08 0.00 1.01 0.00 0.00 58.87 60.10 2k3v n SER 37 Cb 0.62 0.25 0.34 0.00 -1.01 0.00 0.00 64.21 64.41 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 -1.50 0.00 -2.63 0.00 -0.00 -1.26 -5.18 115.22 104.66 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 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 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 4.62 -0.05 3.80 -1.41 0.00 -1.26 -5.04 105.19 105.85 2k3v n GLY 40 Ca 0.00 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 2k3v n GLY 40 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3v s SER 41 N -4.00 5.74 0.46 1.61 0.01 -1.26 -4.41 113.70 111.86 2k3v s SER 41 Ca 0.00 0.15 0.16 0.00 1.31 0.00 0.00 55.95 57.57 2k3v s SER 41 Cb 0.00 -1.66 1.12 0.00 0.21 0.00 0.00 66.02 65.70 2k3v s SER 41 CO 0.00 0.26 2.00 -0.07 0.41 0.00 0.00 173.24 175.83 2k3v h LEU 42 N 3.96 0.26 0.00 2.44 3.38 -1.94 0.97 115.31 124.38 2k3v h LEU 42 Ca -0.49 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k3v h LEU 42 Cb 1.18 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2k3v h LEU 42 CO 0.64 0.16 0.00 0.00 0.09 0.00 0.00 178.44 179.32 2k3v n ALA 43 N -2.55 1.59 -1.23 1.53 0.00 -1.26 -1.17 120.51 117.42 2k3v n ALA 43 Ca 0.09 -0.05 0.06 0.00 0.00 0.00 0.00 53.44 53.55 2k3v n ALA 43 Cb 0.40 -1.19 0.19 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.42 1.82 -2.57 0.00 1.02 0.33 -4.96 120.64 114.85 2k3v n GLU 44 Ca 0.04 -2.89 -0.08 0.00 -0.02 0.00 0.00 57.16 54.21 2k3v n GLU 44 Cb 0.12 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 29.87 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 -1.11 1.65 -0.53 3.49 2.81 -0.32 -4.83 117.12 118.28 2k3v n MET 45 Ca 0.21 -0.89 -0.24 0.00 -1.81 0.00 0.00 57.70 54.97 2k3v n MET 45 Cb 0.78 0.22 0.18 0.00 -0.71 0.00 0.00 33.22 33.69 2k3v n MET 45 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2k3v n ASP 46 N -1.19 -2.94 0.00 7.83 9.92 -1.26 -4.55 116.55 124.37 2k3v n ASP 46 Ca -0.05 -0.37 0.10 0.00 -0.53 0.00 0.00 54.79 53.95 2k3v n ASP 46 Cb 0.15 -0.86 0.58 0.00 -0.64 0.00 0.00 41.12 40.35 2k3v n ASP 46 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2k3v n ASP 47 N -2.05 0.00 -0.05 -2.24 -0.08 -1.26 -1.85 116.55 109.02 2k3v n ASP 47 Ca 0.05 -1.31 -0.01 0.00 -1.51 0.00 0.00 54.79 52.01 2k3v n ASP 47 Cb 0.48 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.78 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 -0.82 0.10 -0.03 1.67 3.02 -1.26 -4.11 115.26 113.84 2k3v n ASN 48 Ca 0.15 0.04 -0.04 0.00 -0.03 0.00 0.00 54.58 54.71 2k3v n ASN 48 Cb 0.07 1.29 -0.13 0.00 -0.61 0.00 0.00 39.78 40.39 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 -2.58 0.50 0.00 3.10 8.25 -1.05 -4.36 115.22 119.09 2k3v n HIS 49 Ca -0.19 0.17 -0.00 0.00 -0.26 0.00 0.00 57.72 57.44 2k3v n HIS 49 Cb 0.89 -0.99 -0.00 0.00 1.12 0.00 0.00 29.99 31.01 2k3v n HIS 49 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2k3v h LYS 50 N 0.00 -0.00 -0.52 -0.41 1.57 -1.31 0.46 116.57 116.37 2k3v h LYS 50 Ca -0.30 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.64 2k3v h LYS 50 Cb 1.81 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 34.03 2k3v h LYS 50 CO 0.04 -0.00 0.07 -2.30 -0.57 0.00 0.00 179.45 176.69 2k3v n PRO 51 N -2.04 -0.04 -0.04 3.15 -0.02 -1.26 0.26 135.00 135.01 2k3v n PRO 51 Ca -0.00 0.76 -0.15 0.00 -2.02 0.00 0.00 63.50 62.10 2k3v n PRO 51 Cb 0.00 -1.25 -0.12 0.00 -0.02 0.00 0.00 33.50 32.11 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 0.13 0.00 6.00 3.86 -1.72 -3.46 115.15 119.96 2k3v h HIS 52 Ca 0.34 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.47 2k3v h HIS 52 Cb 0.76 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 29.22 2k3v h HIS 52 CO -0.21 0.94 0.02 -3.47 0.86 0.00 0.00 177.93 176.07 2k3v n ASP 53 N -4.57 0.00 -0.51 2.45 2.03 0.74 -1.19 116.55 115.51 2k3v n ASP 53 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 2k3v n ASP 53 Cb 0.49 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.88 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 0.07 0.58 2.13 0.27 0.00 -1.26 -4.90 105.19 102.07 2k3v n GLY 54 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.51 -2.34 -4.08 0.99 4.77 -0.33 -5.13 117.00 110.37 2k3v n LEU 55 Ca 0.00 0.56 -0.22 0.00 -0.03 0.00 0.00 56.01 56.32 2k3v n LEU 55 Cb 0.23 2.33 -0.15 0.00 -2.33 0.00 0.00 43.42 43.49 2k3v n LEU 55 CO 0.00 -0.10 -0.47 -1.48 -1.33 0.00 0.00 177.39 174.01 2k3v s LEU 56 N -6.30 1.94 1.14 2.23 2.34 -1.26 -5.14 118.68 113.63 2k3v s LEU 56 Ca 0.00 -0.25 -0.13 0.00 0.06 0.00 0.00 54.13 53.81 2k3v s LEU 56 Cb 0.00 -0.72 0.27 0.00 -0.56 0.00 0.00 46.19 45.18 2k3v s LEU 56 CO 0.00 0.14 1.04 -0.04 -1.06 0.00 0.00 176.35 176.43 2k3v s MET 57 N -0.12 -0.72 0.00 1.48 -1.94 -1.26 -4.87 119.30 111.87 2k3v s MET 57 Ca 0.01 0.77 0.00 0.00 -1.71 0.00 0.00 55.69 54.76 2k3v s MET 57 Cb -0.07 -1.58 0.00 0.00 2.01 0.00 0.00 34.83 35.19 2k3v s MET 57 CO 0.00 -3.57 0.92 0.00 -0.01 0.00 0.00 175.02 172.36 2k3v n ALA 59 N -1.79 0.14 -0.54 0.00 0.00 -1.26 0.32 120.51 117.38 2k3v n ALA 59 Ca 0.00 0.91 0.42 0.00 0.00 0.00 0.00 53.44 54.77 2k3v n ALA 59 Cb 0.00 -0.52 0.66 0.00 0.00 0.00 0.00 19.45 19.59 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 -5.34 0.06 -0.07 0.00 10.43 -1.12 0.10 116.55 120.61 2k3v n ASP 60 Ca 0.13 0.96 -0.13 0.00 2.57 0.00 0.00 54.79 58.31 2k3v n ASP 60 Cb 0.40 -0.47 -0.04 0.00 1.84 0.00 0.00 41.12 42.85 2k3v n ASP 60 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2k3v n HIS 62 N -3.91 1.95 -1.45 0.00 8.25 0.19 -4.82 115.22 115.42 2k3v n HIS 62 Ca -0.23 -2.57 -0.35 0.00 -0.26 0.00 0.00 57.72 54.31 2k3v n HIS 62 Cb 0.56 -1.97 -0.16 0.00 1.12 0.00 0.00 29.99 29.54 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 2.39 0.48 0.29 -1.41 0.00 0.12 -4.35 120.51 118.03 2k3v n ALA 63 Ca 0.63 -0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.52 2k3v n ALA 63 Cb 0.40 -2.22 -0.08 0.00 0.00 0.00 0.00 19.45 17.55 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 11.36 -0.71 -2.97 0.00 0.11 -1.88 1.16 132.00 139.07 2k3v h PRO 64 Ca -0.03 0.05 -0.68 0.00 0.11 0.00 0.00 66.00 65.45 2k3v h PRO 64 Cb 1.22 0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.50 2k3v h PRO 64 CO 1.40 -0.40 3.62 0.72 -0.21 0.00 0.00 178.00 183.12 2k3v n HIS 65 N -5.32 2.48 0.00 0.65 8.25 -1.26 -3.39 115.22 116.62 2k3v n HIS 65 Ca -0.11 -3.05 0.00 0.00 -0.26 0.00 0.00 57.72 54.29 2k3v n HIS 65 Cb 0.33 -2.40 0.00 0.00 1.12 0.00 0.00 29.99 29.05 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 -0.67 -0.41 2.13 -1.21 -5.13 120.64 118.70 2k3v n GLU 66 Ca 0.76 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 58.28 2k3v n GLU 66 Cb 0.24 0.00 0.26 0.00 0.27 0.00 0.00 31.44 32.21 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 -0.19 -0.03 4.31 0.00 0.40 -4.94 121.76 121.31 2k3v s ALA 67 Ca 0.00 -0.78 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 2k3v s ALA 67 Cb 0.00 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.18 2k3v s ALA 67 CO 0.00 -4.11 0.06 0.15 0.00 0.00 0.00 175.76 171.86 2k3v s LYS 68 N -5.12 0.04 0.02 0.00 1.02 -1.26 -3.29 119.74 111.15 2k3v s LYS 68 Ca 0.69 0.15 -0.29 0.00 0.02 0.00 0.00 55.97 56.54 2k3v s LYS 68 Cb -0.13 -0.07 -0.15 0.00 -0.52 0.00 0.00 37.83 36.95 2k3v s LYS 68 CO 0.58 -0.07 0.75 0.28 -0.92 0.00 0.00 175.35 175.96 2k3v n VAL 69 N 3.52 0.24 -1.83 3.17 0.31 -1.01 -2.18 118.33 120.55 2k3v n VAL 69 Ca -0.18 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2k3v n VAL 69 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 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 1.20 0.94 3.50 2.92 0.00 -1.26 -4.91 105.19 107.58 2k3v n GLY 70 Ca 0.15 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.69 2.74 -0.67 1.61 2.56 -0.93 -5.07 118.70 115.25 2k3v s GLU 71 Ca 0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 54.97 54.33 2k3v s GLU 71 Cb 0.00 -2.50 0.17 0.00 2.00 0.00 0.00 34.13 33.79 2k3v s GLU 71 CO 0.00 0.58 0.48 0.15 -0.56 0.00 0.00 175.26 175.90 2k3v s LYS 72 N -0.60 2.58 0.13 4.30 1.02 -1.26 -5.03 119.74 120.88 2k3v s LYS 72 Ca 0.09 -2.78 -0.32 0.00 0.02 0.00 0.00 55.97 52.97 2k3v s LYS 72 Cb -0.11 -3.66 -0.18 0.00 -0.52 0.00 0.00 37.83 33.35 2k3v s LYS 72 CO 0.01 -1.19 0.73 -2.30 -0.92 0.00 0.00 175.35 171.68 2k3v n PRO 73 N 3.02 0.03 -3.22 -1.68 -0.02 -1.26 -4.90 135.00 126.97 2k3v n PRO 73 Ca 0.11 0.01 -0.39 0.00 -2.02 0.00 0.00 63.50 61.21 2k3v n PRO 73 Cb 0.36 -1.19 -0.06 0.00 -0.02 0.00 0.00 33.50 32.59 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 -0.64 4.85 0.12 3.45 -4.23 -1.26 -4.88 115.64 113.05 2k3v s THR 74 Ca 0.74 1.24 -0.13 0.00 -1.18 0.00 0.00 61.69 62.36 2k3v s THR 74 Cb -1.05 -3.92 -0.06 0.00 1.34 0.00 0.00 72.50 68.81 2k3v s THR 74 CO 0.56 0.46 1.46 0.00 -0.54 0.00 0.00 174.62 176.56 2k3v h ASP 76 N 0.59 0.00 -0.81 0.00 3.04 -1.64 2.26 116.42 119.87 2k3v h ASP 76 Ca 0.06 0.00 0.07 0.00 -3.24 0.00 0.00 57.03 53.92 2k3v h ASP 76 Cb 0.85 0.00 -0.06 0.00 -1.04 0.00 0.00 39.33 39.08 2k3v h ASP 76 CO 0.07 0.00 0.48 0.74 -2.04 0.00 0.00 179.24 178.49 2k3v h THR 77 N 0.00 0.99 0.00 1.15 2.02 -1.86 -3.30 112.91 111.91 2k3v h THR 77 Ca 0.70 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 67.45 2k3v h THR 77 Cb 3.15 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 69.60 2k3v h THR 77 CO -0.01 0.16 -1.37 0.00 0.37 0.00 0.00 175.52 174.67 2k3v s HIS 79 N -2.17 3.35 -0.31 0.00 3.76 0.63 -4.85 115.29 115.70 2k3v s HIS 79 Ca -0.12 -1.61 0.00 0.00 -0.15 0.00 0.00 55.06 53.19 2k3v s HIS 79 Cb 0.04 -4.12 0.30 0.00 1.11 0.00 0.00 32.58 29.91 2k3v s HIS 79 CO 0.15 -1.31 1.79 -0.40 -0.85 0.00 0.00 174.74 174.12 2k3v n ASP 80 N 5.64 5.22 -0.94 1.40 5.68 -1.24 -2.66 116.55 129.64 2k3v n ASP 80 Ca 0.21 -3.04 0.08 0.00 -0.50 0.00 0.00 54.79 51.53 2k3v n ASP 80 Cb 0.48 -0.89 0.26 0.00 -1.14 0.00 0.00 41.12 39.84 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 -0.08 3.84 0.00 -1.12 5.68 -1.26 -4.90 116.55 118.71 2k3v n ASP 81 Ca 0.34 -3.07 0.00 0.00 -0.50 0.00 0.00 54.79 51.56 2k3v n ASP 81 Cb 0.84 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 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 -0.53 3.30 2.59 6.12 0.00 -1.25 -5.01 105.19 110.40 2k3v n GLY 82 Ca 0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.12 1.61 3.00 -1.25 -4.94 116.66 108.96 2k3v n ARG 83 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 2k3v n ARG 83 Cb 0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 32.46 31.33 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 -0.18 0.58 0.64 5.15 -4.23 -1.26 -3.99 115.64 112.35 2k3v s THR 84 Ca 0.63 -1.65 -0.18 0.00 -1.18 0.00 0.00 61.69 59.31 2k3v s THR 84 Cb -0.89 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 2k3v s THR 84 CO 0.42 -0.74 1.26 0.00 -0.54 0.00 0.00 174.62 175.02 2k3v s ALA 85 N -2.95 2.41 -2.17 3.99 0.00 -1.26 -5.00 121.76 116.77 2k3v s ALA 85 Ca 0.04 1.11 0.31 0.00 0.00 0.00 0.00 51.96 53.42 2k3v s ALA 85 Cb 0.01 -3.51 1.62 0.00 0.00 0.00 0.00 23.12 21.23 2k3v s ALA 85 CO -0.04 -1.47 2.06 1.17 0.00 0.00 0.00 175.76 177.48