#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 1.10 -4.92 0.00 9.92 -1.26 -4.89 116.55 116.50 2k3v n ASP 2 Ca 0.00 0.91 -0.27 0.00 -0.53 0.00 0.00 54.79 54.90 2k3v n ASP 2 Cb 0.00 -0.92 -0.02 0.00 -0.64 0.00 0.00 41.12 39.53 2k3v n ASP 2 CO 0.00 0.00 0.00 -1.83 0.13 0.00 0.00 177.20 175.50 2k3v s GLU 3 N 4.60 3.56 0.91 -1.24 -1.05 -1.26 -4.93 118.70 119.29 2k3v s GLU 3 Ca 1.12 -0.17 -0.11 0.00 -0.15 0.00 0.00 54.97 55.66 2k3v s GLU 3 Cb -1.45 -2.69 0.14 0.00 -0.44 0.00 0.00 34.13 29.70 2k3v s GLU 3 CO 0.72 0.23 1.12 0.95 0.95 0.00 0.00 175.26 179.23 2k3v s THR 4 N -2.12 2.35 0.12 1.83 -4.23 -1.26 -1.98 115.64 110.35 2k3v s THR 4 Ca 0.42 0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 60.88 2k3v s THR 4 Cb -0.10 -2.26 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 2k3v s THR 4 CO 0.32 -0.15 1.62 0.25 -0.54 0.00 0.00 174.62 176.12 2k3v h LEU 5 N -1.79 0.58 -2.04 4.79 5.85 -1.44 -1.59 115.31 119.67 2k3v h LEU 5 Ca -0.46 -0.24 0.12 0.00 0.84 0.00 0.00 57.88 58.15 2k3v h LEU 5 Cb 1.27 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 2k3v h LEU 5 CO 0.45 0.66 0.34 0.00 -0.34 0.00 0.00 178.44 179.56 2k3v h ALA 6 N 0.94 2.27 0.25 1.25 0.00 -1.85 -1.56 119.26 120.55 2k3v h ALA 6 Ca 0.12 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k3v h ALA 6 Cb 0.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k3v h ALA 6 CO 0.00 -0.55 -0.12 1.49 0.00 0.00 0.00 179.25 180.07 2k3v h GLU 7 N 0.00 -0.32 -1.21 0.00 4.81 -1.62 -2.00 114.58 114.24 2k3v h GLU 7 Ca 0.20 0.02 0.39 0.00 -0.13 0.00 0.00 59.36 59.84 2k3v h GLU 7 Cb 0.87 0.07 -0.13 0.00 0.63 0.00 0.00 28.75 30.20 2k3v h GLU 7 CO -0.00 -0.21 0.76 0.35 -0.73 0.00 0.00 179.01 179.18 2k3v h PHE 8 N -1.01 0.62 -0.08 0.92 3.57 -0.75 1.47 116.94 121.69 2k3v h PHE 8 Ca -0.03 0.03 -0.23 0.00 3.53 0.00 0.00 57.97 61.26 2k3v h PHE 8 Cb 0.25 -0.16 0.01 0.00 2.79 0.00 0.00 35.95 38.84 2k3v h PHE 8 CO 0.00 -0.17 -0.87 0.45 -2.23 0.00 0.00 178.31 175.49 2k3v h HIS 9 N 0.17 0.93 0.28 0.41 3.86 -1.36 -3.17 115.15 116.26 2k3v h HIS 9 Ca 0.77 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 2k3v h HIS 9 Cb 2.23 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 30.56 2k3v h HIS 9 CO -0.01 1.27 -0.28 0.28 0.86 0.00 0.00 177.93 180.06 2k3v h VAL 10 N 0.42 0.41 -0.01 2.45 2.07 0.27 0.88 116.25 122.75 2k3v h VAL 10 Ca -0.08 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 2k3v h VAL 10 Cb 1.50 0.41 -0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2k3v h VAL 10 CO 0.17 0.00 0.38 -0.08 0.02 0.00 0.00 177.57 178.06 2k3v h GLU 11 N -0.58 0.00 -0.48 1.57 4.81 -1.08 1.56 114.58 120.37 2k3v h GLU 11 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k3v h GLU 11 Cb 0.54 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.92 2k3v h GLU 11 CO -0.06 0.00 0.00 -1.33 -0.73 0.00 0.00 179.01 176.89 2k3v n MET 12 N -2.88 4.17 0.00 1.92 2.81 0.25 -4.89 117.12 118.50 2k3v n MET 12 Ca -0.02 -3.03 0.00 0.00 -1.81 0.00 0.00 57.70 52.85 2k3v n MET 12 Cb 0.43 -2.09 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 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 0.32 -2.14 0.00 3.03 0.00 0.50 -5.03 105.19 101.87 2k3v n GLY 13 Ca 0.25 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.97 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 -1.14 0.21 -0.02 0.00 0.74 -4.91 105.19 100.07 2k3v n GLY 14 Ca 0.00 -1.21 0.15 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.78 1.27 0.19 0.00 4.71 -1.26 -2.96 120.64 119.81 2k3v n GLU 16 Ca 0.02 -0.36 0.06 0.00 -0.01 0.00 0.00 57.16 56.86 2k3v n GLU 16 Cb 0.34 -1.15 0.33 0.00 -1.01 0.00 0.00 31.44 29.94 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 0.57 0.00 0.00 1.62 -1.24 -1.76 -3.30 115.58 111.46 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 0.21 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 39.08 2k3v h ASN 17 CO 0.01 0.37 -0.60 0.00 -1.29 0.00 0.00 177.43 175.92 2k3v s HIS 19 N 0.00 -0.26 -0.26 0.00 3.76 -1.15 -4.83 115.29 112.55 2k3v s HIS 19 Ca 0.14 0.64 -0.14 0.00 -0.15 0.00 0.00 55.06 55.55 2k3v s HIS 19 Cb 0.16 0.03 -0.04 0.00 1.11 0.00 0.00 32.58 33.84 2k3v s HIS 19 CO -0.07 -0.17 0.31 0.00 -0.85 0.00 0.00 174.74 173.96 2k3v s ALA 20 N 0.81 3.56 -1.49 -1.40 0.00 -1.26 -4.16 121.76 117.82 2k3v s ALA 20 Ca -0.06 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 2k3v s ALA 20 Cb -0.07 -2.60 0.16 0.00 0.00 0.00 0.00 23.12 20.61 2k3v s ALA 20 CO -0.05 -0.51 0.54 -3.47 0.00 0.00 0.00 175.76 172.27 2k3v n ASP 21 N 4.98 -2.30 -3.42 0.00 2.03 -1.26 0.13 116.55 116.71 2k3v n ASP 21 Ca -0.10 -0.82 -0.20 0.00 0.52 0.00 0.00 54.79 54.19 2k3v n ASP 21 Cb 0.51 -1.97 0.06 0.00 -0.72 0.00 0.00 41.12 39.01 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 -1.06 -0.92 2.40 0.27 0.00 -1.26 -4.98 105.19 99.63 2k3v n GLY 22 Ca 0.08 0.44 -0.25 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.68 0.29 -1.68 1.61 2.13 0.12 -5.11 120.64 114.33 2k3v n GLU 23 Ca -0.13 -3.07 -0.58 0.00 0.66 0.00 0.00 57.16 54.04 2k3v n GLU 23 Cb 0.63 -1.59 -0.07 0.00 0.27 0.00 0.00 31.44 30.68 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 2.63 0.95 -1.05 5.31 -0.02 -1.26 -4.29 135.00 137.27 2k3v n PRO 24 Ca 0.28 0.35 -0.35 0.00 -2.02 0.00 0.00 63.50 61.75 2k3v n PRO 24 Cb 0.50 -1.99 0.08 0.00 -0.02 0.00 0.00 33.50 32.06 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 4.37 -2.32 -1.68 2.55 3.41 -1.26 -4.89 113.62 113.80 2k3v n SER 25 Ca 0.25 0.44 -0.16 0.00 -0.26 0.00 0.00 58.87 59.15 2k3v n SER 25 Cb 0.12 -1.13 0.16 0.00 -0.26 0.00 0.00 64.21 63.10 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 -0.53 2.23 0.13 4.33 0.00 -1.26 -4.62 118.16 118.45 2k3v n LYS 26 Ca 0.07 -3.27 0.00 0.00 -0.00 0.00 0.00 58.31 55.11 2k3v n LYS 26 Cb 0.52 -2.02 0.00 0.00 -0.00 0.00 0.00 35.03 33.53 2k3v n LYS 26 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2k3v n ASP 27 N -1.06 -0.97 0.00 -5.58 5.75 -1.26 -5.07 116.55 108.36 2k3v n ASP 27 Ca 0.45 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.70 2k3v n ASP 27 Cb 1.14 1.07 0.00 0.00 -1.03 0.00 0.00 41.12 42.30 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 0.72 1.44 0.27 6.12 0.00 -1.26 -4.95 105.19 107.52 2k3v n GLY 28 Ca 0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 46.02 45.72 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 0.88 -0.61 4.61 0.00 -1.98 0.48 119.26 122.65 2k3v h ALA 29 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.97 2k3v h ALA 29 Cb 0.00 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 17.47 2k3v h ALA 29 CO 0.00 0.25 0.22 -0.92 0.00 0.00 0.00 179.25 178.81 2k3v h TYR 30 N 0.89 0.39 -0.10 0.00 3.20 -1.99 -1.93 116.97 117.43 2k3v h TYR 30 Ca 0.26 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.14 2k3v h TYR 30 Cb -0.05 -0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.13 2k3v h TYR 30 CO -0.03 0.10 -0.04 0.93 -1.64 0.00 0.00 178.16 177.47 2k3v h GLU 31 N 0.40 0.20 -0.69 1.82 3.07 -1.72 -2.77 114.58 114.89 2k3v h GLU 31 Ca 0.31 -0.08 0.20 0.00 -0.50 0.00 0.00 59.36 59.28 2k3v h GLU 31 Cb 0.38 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.25 2k3v h GLU 31 CO -0.31 0.54 0.83 0.35 -1.40 0.00 0.00 179.01 179.02 2k3v h PHE 32 N -0.15 0.00 -0.27 4.33 3.57 -0.19 0.98 116.94 125.21 2k3v h PHE 32 Ca 0.02 0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.39 2k3v h PHE 32 Cb 0.47 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 2k3v h PHE 32 CO 0.06 0.00 -0.34 0.93 -2.23 0.00 0.00 178.31 176.73 2k3v h GLU 33 N 0.00 0.71 -0.85 1.11 5.08 -1.09 -2.99 114.58 116.54 2k3v h GLU 33 Ca 0.33 -0.40 0.15 0.00 -1.00 0.00 0.00 59.36 58.43 2k3v h GLU 33 Cb 1.99 0.03 -0.06 0.00 0.50 0.00 0.00 28.75 31.20 2k3v h GLU 33 CO -0.00 1.02 0.55 1.96 -1.00 0.00 0.00 179.01 181.54 2k3v h GLN 34 N 0.44 0.58 -2.00 2.33 1.08 0.94 -0.93 115.11 117.54 2k3v h GLN 34 Ca 0.03 -0.03 -0.37 0.00 -1.45 0.00 0.00 58.65 56.83 2k3v h GLN 34 Cb 0.92 -0.13 -0.13 0.00 -0.05 0.00 0.00 27.48 28.09 2k3v h GLN 34 CO 0.08 0.38 0.05 0.00 -0.95 0.00 0.00 178.83 178.39 2k3v n GLN 36 N 1.58 0.92 0.00 0.00 7.27 -0.36 -4.49 117.38 122.31 2k3v n GLN 36 Ca 0.46 -2.54 0.00 0.00 0.07 0.00 0.00 57.00 55.00 2k3v n GLN 36 Cb 0.71 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 32.02 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 0.69 0.00 0.10 1.69 7.64 -1.26 -4.80 113.62 117.67 2k3v n SER 37 Ca 0.15 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.12 2k3v n SER 37 Cb 0.65 0.23 0.41 0.00 -1.01 0.00 0.00 64.21 64.49 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 -2.00 0.00 -1.67 0.00 -0.00 -1.26 -5.17 115.22 105.12 2k3v n HIS 39 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.73 2k3v n HIS 39 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 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 4.52 -0.03 3.78 -1.41 0.00 -1.26 -5.04 105.19 105.75 2k3v n GLY 40 Ca 0.00 -1.25 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 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 5.62 0.44 1.61 0.15 -1.26 -4.42 113.70 111.85 2k3v s SER 41 Ca 0.00 0.09 0.16 0.00 0.70 0.00 0.00 55.95 56.90 2k3v s SER 41 Cb 0.00 -1.58 1.08 0.00 -1.71 0.00 0.00 66.02 63.82 2k3v s SER 41 CO 0.00 0.23 1.95 -0.07 1.20 0.00 0.00 173.24 176.56 2k3v h LEU 42 N 3.79 0.33 0.00 3.45 3.38 -1.94 1.34 115.31 125.66 2k3v h LEU 42 Ca -0.48 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2k3v h LEU 42 Cb 1.17 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.87 2k3v h LEU 42 CO 0.64 0.19 0.00 0.00 0.09 0.00 0.00 178.44 179.35 2k3v n ALA 43 N -2.54 1.97 -1.42 1.53 0.00 -1.26 -1.85 120.51 116.94 2k3v n ALA 43 Ca 0.12 -0.08 0.07 0.00 0.00 0.00 0.00 53.44 53.55 2k3v n ALA 43 Cb 0.47 -1.29 0.16 0.00 0.00 0.00 0.00 19.45 18.79 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 -1.28 1.33 -2.36 0.00 4.07 0.46 -4.95 120.64 117.91 2k3v n GLU 44 Ca 0.08 -2.85 -0.07 0.00 -0.06 0.00 0.00 57.16 54.26 2k3v n GLU 44 Cb 0.14 -1.46 -0.01 0.00 -0.06 0.00 0.00 31.44 30.05 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 -1.16 1.55 -0.51 5.31 2.81 -0.77 -4.74 117.12 119.62 2k3v n MET 45 Ca 0.16 -0.80 -0.18 0.00 -1.81 0.00 0.00 57.70 55.07 2k3v n MET 45 Cb 0.69 0.16 0.15 0.00 -0.71 0.00 0.00 33.22 33.51 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 -1.44 -3.06 -0.20 7.83 3.85 -1.26 -4.53 116.55 117.73 2k3v n ASP 46 Ca -0.03 -0.41 0.04 0.00 -0.71 0.00 0.00 54.79 53.68 2k3v n ASP 46 Cb 0.14 -0.77 0.17 0.00 -1.35 0.00 0.00 41.12 39.31 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 -1.44 0.58 -0.08 -1.12 9.92 -1.26 -2.33 116.55 120.83 2k3v n ASP 47 Ca 0.06 -1.87 -0.06 0.00 -0.53 0.00 0.00 54.79 52.39 2k3v n ASP 47 Cb 0.35 -0.06 -0.14 0.00 -0.64 0.00 0.00 41.12 40.63 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 -0.24 0.74 0.01 -2.24 3.02 -1.26 -4.24 115.26 111.05 2k3v n ASN 48 Ca 0.07 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.43 2k3v n ASN 48 Cb 0.11 1.04 -0.14 0.00 -0.61 0.00 0.00 39.78 40.18 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 0.41 0.06 3.10 3.86 -1.82 -3.39 115.15 117.38 2k3v h HIS 49 Ca -0.41 -0.30 0.01 0.00 -1.16 0.00 0.00 60.37 58.51 2k3v h HIS 49 Cb 1.92 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 30.34 2k3v h HIS 49 CO 0.00 1.59 -0.34 0.87 0.86 0.00 0.00 177.93 180.91 2k3v h LYS 50 N 0.06 -0.45 -0.30 2.45 1.57 -1.28 -0.77 116.57 117.85 2k3v h LYS 50 Ca -0.37 0.03 0.09 0.00 -1.87 0.00 0.00 60.65 58.53 2k3v h LYS 50 Cb 2.04 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 34.39 2k3v h LYS 50 CO 0.10 -0.30 0.04 -2.30 -0.57 0.00 0.00 179.45 176.43 2k3v n PRO 51 N -4.36 -0.02 -0.05 3.15 -0.02 -1.26 0.13 135.00 132.57 2k3v n PRO 51 Ca -0.05 0.44 -0.00 0.00 -2.02 0.00 0.00 63.50 61.87 2k3v n PRO 51 Cb 0.26 -0.72 -0.00 0.00 -0.02 0.00 0.00 33.50 33.02 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 -0.90 6.00 3.86 -1.55 -3.48 115.15 119.08 2k3v h HIS 52 Ca 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2k3v h HIS 52 Cb 0.44 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.91 2k3v h HIS 52 CO -0.12 0.00 0.00 -3.47 0.86 0.00 0.00 177.93 175.20 2k3v n ASP 53 N -4.76 0.00 -1.22 2.45 2.03 0.36 -3.47 116.55 111.93 2k3v n ASP 53 Ca -0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2k3v n ASP 53 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.67 1.11 0.27 0.00 -1.26 -4.96 105.19 101.51 2k3v n GLY 54 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.12 0.00 -3.80 0.99 4.77 -1.23 -5.13 117.00 111.48 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 0.41 0.12 -0.08 0.00 -2.33 0.00 0.00 43.42 41.54 2k3v n LEU 55 CO 0.00 -0.28 -0.04 -1.48 -1.33 0.00 0.00 177.39 174.27 2k3v s LEU 56 N -4.11 1.10 0.79 2.23 0.05 -1.26 -5.16 118.68 112.32 2k3v s LEU 56 Ca 0.00 -0.17 -0.11 0.00 0.05 0.00 0.00 54.13 53.90 2k3v s LEU 56 Cb 0.00 1.12 0.06 0.00 -2.05 0.00 0.00 46.19 45.33 2k3v s LEU 56 CO 0.00 -0.52 1.09 -0.32 -0.55 0.00 0.00 176.35 176.05 2k3v s MET 57 N -2.06 2.17 0.00 1.48 -2.45 -1.26 -4.96 119.30 112.22 2k3v s MET 57 Ca -0.09 0.68 0.00 0.00 -1.25 0.00 0.00 55.69 55.03 2k3v s MET 57 Cb -0.03 -1.92 0.00 0.00 1.25 0.00 0.00 34.83 34.13 2k3v s MET 57 CO -0.01 -1.57 0.88 0.00 1.05 0.00 0.00 175.02 175.37 2k3v n ALA 59 N -1.71 -0.09 -0.48 0.00 0.00 -1.26 0.25 120.51 117.21 2k3v n ALA 59 Ca 0.00 1.00 0.38 0.00 0.00 0.00 0.00 53.44 54.82 2k3v n ALA 59 Cb 0.00 -0.46 0.61 0.00 0.00 0.00 0.00 19.45 19.60 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 -5.48 0.10 -0.10 0.00 -0.08 -1.15 0.99 116.55 110.82 2k3v n ASP 60 Ca 0.11 1.00 -0.18 0.00 -1.51 0.00 0.00 54.79 54.21 2k3v n ASP 60 Cb 0.41 -0.49 -0.09 0.00 2.34 0.00 0.00 41.12 43.29 2k3v n ASP 60 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2k3v n HIS 62 N -3.45 2.53 -1.25 0.00 8.25 0.53 -4.76 115.22 117.07 2k3v n HIS 62 Ca -0.38 -2.47 -0.27 0.00 -0.26 0.00 0.00 57.72 54.34 2k3v n HIS 62 Cb 0.84 -1.42 -0.15 0.00 1.12 0.00 0.00 29.99 30.38 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 0.56 0.56 0.24 -1.41 0.00 0.28 -4.35 120.51 116.39 2k3v n ALA 63 Ca 0.53 -0.44 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 2k3v n ALA 63 Cb 0.31 -1.93 -0.08 0.00 0.00 0.00 0.00 19.45 17.74 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 9.59 -0.59 -2.97 0.00 0.11 -1.86 1.16 132.00 137.44 2k3v h PRO 64 Ca -0.01 0.04 -0.71 0.00 0.11 0.00 0.00 66.00 65.44 2k3v h PRO 64 Cb 1.02 0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 2k3v h PRO 64 CO 1.24 -0.31 3.14 0.72 -0.21 0.00 0.00 178.00 182.59 2k3v n HIS 65 N -5.28 2.61 0.00 0.65 8.25 -1.26 -3.13 115.22 117.06 2k3v n HIS 65 Ca -0.11 -2.96 0.00 0.00 -0.26 0.00 0.00 57.72 54.39 2k3v n HIS 65 Cb 0.29 -2.21 0.00 0.00 1.12 0.00 0.00 29.99 29.19 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 3.09 0.00 -0.89 -0.41 2.13 -1.21 -5.12 120.64 118.23 2k3v n GLU 66 Ca 0.68 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 58.19 2k3v n GLU 66 Cb 0.26 0.00 0.15 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 1.52 -0.05 4.31 0.00 0.40 -4.90 121.76 123.03 2k3v s ALA 67 Ca 0.00 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.37 2k3v s ALA 67 Cb 0.00 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 2k3v s ALA 67 CO 0.00 -2.55 -0.18 0.15 0.00 0.00 0.00 175.76 173.19 2k3v s LYS 68 N -4.73 1.95 -0.05 0.00 -0.14 -1.26 -2.52 119.74 112.99 2k3v s LYS 68 Ca 0.65 -0.62 -0.32 0.00 -1.36 0.00 0.00 55.97 54.32 2k3v s LYS 68 Cb -0.21 -1.64 -0.16 0.00 -1.68 0.00 0.00 37.83 34.14 2k3v s LYS 68 CO 0.58 0.21 0.89 0.28 -0.76 0.00 0.00 175.35 176.55 2k3v n VAL 69 N 3.29 0.00 -1.87 3.17 0.31 -0.84 -1.36 118.33 121.02 2k3v n VAL 69 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 2k3v n VAL 69 Cb 0.53 -0.05 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 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 1.42 0.81 2.91 2.92 0.00 -1.26 -4.88 105.19 107.12 2k3v n GLY 70 Ca 0.17 -0.65 -0.30 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 -3.83 1.84 -0.19 1.61 2.56 -0.47 -5.07 118.70 115.16 2k3v s GLU 71 Ca 0.00 -2.49 -0.29 0.00 0.00 0.00 0.00 54.97 52.19 2k3v s GLU 71 Cb 0.00 -3.15 -0.05 0.00 2.00 0.00 0.00 34.13 32.93 2k3v s GLU 71 CO 0.00 -1.11 1.97 -1.59 -0.56 0.00 0.00 175.26 173.97 2k3v s LYS 72 N -0.13 3.50 0.89 4.30 -2.85 -1.26 -4.88 119.74 119.32 2k3v s LYS 72 Ca 0.17 1.96 -0.14 0.00 -1.00 0.00 0.00 55.97 56.96 2k3v s LYS 72 Cb -0.25 -4.23 -0.01 0.00 -2.06 0.00 0.00 37.83 31.27 2k3v s LYS 72 CO -0.00 -1.67 0.25 -2.30 0.10 0.00 0.00 175.35 171.73 2k3v n PRO 73 N 8.23 -0.10 -4.29 1.78 -0.02 -1.26 -4.97 135.00 134.37 2k3v n PRO 73 Ca 0.24 0.01 -0.34 0.00 -2.02 0.00 0.00 63.50 61.39 2k3v n PRO 73 Cb 0.45 -1.71 -0.13 0.00 -0.02 0.00 0.00 33.50 32.09 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 -2.21 3.70 0.44 3.45 -4.23 -1.26 -4.96 115.64 110.57 2k3v s THR 74 Ca 0.56 -0.41 0.19 0.00 -1.18 0.00 0.00 61.69 60.85 2k3v s THR 74 Cb -0.24 -2.64 0.23 0.00 1.34 0.00 0.00 72.50 71.19 2k3v s THR 74 CO 0.67 0.47 2.03 0.00 -0.54 0.00 0.00 174.62 177.25 2k3v n ASP 76 N -4.07 0.50 -0.20 0.00 8.00 -1.19 0.26 116.55 119.86 2k3v n ASP 76 Ca -0.02 0.71 0.03 0.00 0.71 0.00 0.00 54.79 56.22 2k3v n ASP 76 Cb 0.24 -0.76 0.13 0.00 -0.02 0.00 0.00 41.12 40.71 2k3v n ASP 76 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2k3v n THR 77 N -2.20 0.14 0.19 -3.53 -1.04 -0.01 -4.45 114.28 103.38 2k3v n THR 77 Ca -0.01 -0.15 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2k3v n THR 77 Cb 0.10 0.05 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 2k3v n THR 77 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k3v s HIS 79 N -2.00 3.41 -0.28 0.00 3.76 0.74 -4.93 115.29 115.99 2k3v s HIS 79 Ca 0.00 1.00 0.08 0.00 -0.15 0.00 0.00 55.06 55.99 2k3v s HIS 79 Cb 0.00 -2.82 0.45 0.00 1.11 0.00 0.00 32.58 31.32 2k3v s HIS 79 CO 0.00 -0.14 1.27 -0.25 -0.85 0.00 0.00 174.74 174.77 2k3v n ASP 80 N 4.90 3.52 -0.70 1.40 9.92 -1.26 -3.18 116.55 131.15 2k3v n ASP 80 Ca -0.01 -3.82 0.06 0.00 -0.53 0.00 0.00 54.79 50.49 2k3v n ASP 80 Cb 0.50 -0.48 0.21 0.00 -0.64 0.00 0.00 41.12 40.71 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 2k3v n ASP 81 N -0.93 2.96 0.00 -2.24 5.68 -1.26 -4.90 116.55 115.86 2k3v n ASP 81 Ca 0.34 -3.29 0.00 0.00 -0.50 0.00 0.00 54.79 51.34 2k3v n ASP 81 Cb 0.86 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 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 -0.96 1.90 2.59 6.12 0.00 -1.26 -4.98 105.19 108.60 2k3v n GLY 82 Ca 0.22 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.80 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 -4.19 1.61 3.00 -1.26 -4.94 116.66 108.88 2k3v n ARG 83 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.71 2k3v n ARG 83 Cb 0.00 -1.10 -0.10 0.00 0.00 0.00 0.00 32.46 31.25 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 0.23 0.95 0.68 5.15 -4.23 -1.26 -4.53 115.64 112.64 2k3v s THR 84 Ca 0.68 -1.79 -0.15 0.00 -1.18 0.00 0.00 61.69 59.25 2k3v s THR 84 Cb -0.95 -1.53 0.01 0.00 1.34 0.00 0.00 72.50 71.37 2k3v s THR 84 CO 0.44 -0.66 1.15 0.00 -0.54 0.00 0.00 174.62 175.01 2k3v s ALA 85 N -2.86 2.34 0.00 3.99 0.00 -1.26 -5.05 121.76 118.92 2k3v s ALA 85 Ca 0.09 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.75 2k3v s ALA 85 Cb -0.00 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2k3v s ALA 85 CO -0.01 -1.50 0.00 1.17 0.00 0.00 0.00 175.76 175.43