#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 -3.65 0.00 -0.08 -1.26 -5.16 116.55 106.40 2k3v n ASP 2 Ca 0.00 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.23 2k3v n ASP 2 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 2k3v n ASP 2 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2k3v s GLU 3 N 0.00 0.46 1.01 -0.67 1.03 -1.26 -5.12 118.70 114.15 2k3v s GLU 3 Ca 0.00 1.26 -0.16 0.00 0.03 0.00 0.00 54.97 56.10 2k3v s GLU 3 Cb 0.00 0.62 0.01 0.00 -0.80 0.00 0.00 34.13 33.96 2k3v s GLU 3 CO 0.00 -0.22 -0.01 0.25 -1.33 0.00 0.00 175.26 173.95 2k3v n THR 4 N 5.40 0.00 -0.21 1.83 -2.24 -1.26 -2.84 114.28 114.97 2k3v n THR 4 Ca -0.11 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.35 2k3v n THR 4 Cb 0.49 -0.48 0.03 0.00 -2.10 0.00 0.00 70.33 68.27 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 -1.57 0.77 -0.80 3.22 5.85 -1.47 -1.31 115.31 119.99 2k3v h LEU 5 Ca -0.46 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.22 2k3v h LEU 5 Cb 1.31 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 42.07 2k3v h LEU 5 CO 0.33 0.69 0.45 0.00 -0.34 0.00 0.00 178.44 179.56 2k3v h ALA 6 N 1.11 1.14 0.59 1.25 0.00 -1.86 -1.20 119.26 120.29 2k3v h ALA 6 Ca 0.20 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 2k3v h ALA 6 Cb 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.81 2k3v h ALA 6 CO -0.02 0.07 -0.28 0.93 0.00 0.00 0.00 179.25 179.94 2k3v h GLU 7 N 0.75 -0.76 -1.10 0.00 4.39 -1.70 0.52 114.58 116.69 2k3v h GLU 7 Ca 0.39 0.05 0.31 0.00 0.34 0.00 0.00 59.36 60.45 2k3v h GLU 7 Cb 0.37 0.17 -0.11 0.00 -0.10 0.00 0.00 28.75 29.07 2k3v h GLU 7 CO -0.25 -0.47 0.69 0.35 -1.16 0.00 0.00 179.01 178.17 2k3v h PHE 8 N -0.90 0.71 -0.05 4.33 3.57 -0.71 0.92 116.94 124.81 2k3v h PHE 8 Ca -0.08 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.22 2k3v h PHE 8 Cb 0.64 -0.20 0.01 0.00 2.79 0.00 0.00 35.95 39.19 2k3v h PHE 8 CO -0.01 -0.04 -0.88 0.45 -2.23 0.00 0.00 178.31 175.59 2k3v h HIS 9 N 0.33 0.77 0.25 0.41 3.86 -0.89 -3.20 115.15 116.67 2k3v h HIS 9 Ca 0.68 -0.38 0.00 0.00 -1.16 0.00 0.00 60.37 59.50 2k3v h HIS 9 Cb 1.76 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 30.11 2k3v h HIS 9 CO -0.00 1.20 -0.23 0.28 0.86 0.00 0.00 177.93 180.03 2k3v h VAL 10 N 0.33 0.51 0.00 2.45 2.07 0.31 0.68 116.25 122.60 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 1.51 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2k3v h VAL 10 CO 0.16 0.00 0.33 -0.08 0.02 0.00 0.00 177.57 178.00 2k3v h GLU 11 N -0.50 0.00 -0.45 1.57 4.81 -1.05 1.28 114.58 120.24 2k3v h GLU 11 Ca -0.01 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 2k3v h GLU 11 Cb 0.46 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 2k3v h GLU 11 CO -0.04 0.00 0.06 -1.33 -0.73 0.00 0.00 179.01 176.97 2k3v n MET 12 N -2.74 3.42 0.00 1.92 2.81 0.18 -4.90 117.12 117.80 2k3v n MET 12 Ca -0.02 -3.01 0.00 0.00 -1.81 0.00 0.00 57.70 52.86 2k3v n MET 12 Cb 0.37 -2.02 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 -0.26 -2.00 0.00 3.03 0.00 0.41 -5.02 105.19 101.35 2k3v n GLY 13 Ca 0.29 0.65 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 -1.01 0.20 -0.02 0.00 0.57 -4.90 105.19 100.03 2k3v n GLY 14 Ca 0.00 -1.27 0.14 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.71 1.45 0.19 0.00 4.71 -1.26 -3.00 120.64 120.01 2k3v n GLU 16 Ca 0.02 -0.53 0.06 0.00 -0.01 0.00 0.00 57.16 56.70 2k3v n GLU 16 Cb 0.33 -1.26 0.29 0.00 -1.01 0.00 0.00 31.44 29.79 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 0.81 0.00 0.00 1.62 -1.24 -1.76 -3.32 115.58 111.69 2k3v h ASN 17 Ca 0.00 0.00 -0.09 0.00 0.71 0.00 0.00 56.30 56.92 2k3v h ASN 17 Cb 0.36 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 39.25 2k3v h ASN 17 CO 0.03 0.36 -0.55 0.00 -1.29 0.00 0.00 177.43 175.98 2k3v s HIS 19 N 0.00 -0.25 -0.34 0.00 3.76 -1.16 -4.82 115.29 112.48 2k3v s HIS 19 Ca 0.11 0.38 -0.29 0.00 -0.15 0.00 0.00 55.06 55.11 2k3v s HIS 19 Cb 0.13 -0.31 0.02 0.00 1.11 0.00 0.00 32.58 33.53 2k3v s HIS 19 CO -0.06 -0.49 1.09 0.00 -0.85 0.00 0.00 174.74 174.43 2k3v s ALA 20 N 2.32 3.44 -1.65 -1.40 0.00 -1.26 -3.23 121.76 119.99 2k3v s ALA 20 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2k3v s ALA 20 Cb -0.14 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2k3v s ALA 20 CO -0.10 -1.60 0.00 -0.25 0.00 0.00 0.00 175.76 173.81 2k3v n ASP 21 N 7.03 -5.10 -3.21 0.00 8.00 -1.26 -1.17 116.55 120.84 2k3v n ASP 21 Ca 0.12 0.17 -0.17 0.00 0.71 0.00 0.00 54.79 55.61 2k3v n ASP 21 Cb 0.47 -4.35 0.08 0.00 -0.02 0.00 0.00 41.12 37.30 2k3v n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k3v n GLY 22 N -0.77 -0.32 2.64 0.44 0.00 -1.20 -4.98 105.19 101.00 2k3v n GLY 22 Ca -0.20 0.08 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 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 -5.55 1.47 -0.22 1.61 -6.30 -0.32 -5.09 118.70 104.30 2k3v s GLU 23 Ca 0.18 -2.43 -0.41 0.00 -2.50 0.00 0.00 54.97 49.81 2k3v s GLU 23 Cb -0.08 -2.28 -0.18 0.00 0.00 0.00 0.00 34.13 31.59 2k3v s GLU 23 CO 0.65 -1.29 1.53 -2.30 0.02 0.00 0.00 175.26 173.87 2k3v n PRO 24 N 2.81 0.69 -1.33 4.30 -0.02 -1.26 -4.36 135.00 135.83 2k3v n PRO 24 Ca 0.20 0.25 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 2k3v n PRO 24 Cb 0.40 -1.85 0.05 0.00 -0.02 0.00 0.00 33.50 32.08 2k3v n PRO 24 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2k3v n SER 25 N 3.88 -1.43 -2.13 2.55 7.64 -1.26 -4.87 113.62 118.01 2k3v n SER 25 Ca 0.25 0.64 -0.17 0.00 1.01 0.00 0.00 58.87 60.60 2k3v n SER 25 Cb 0.09 -1.16 0.23 0.00 -1.01 0.00 0.00 64.21 62.35 2k3v n SER 25 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2k3v n LYS 26 N -0.25 2.78 0.16 1.43 2.85 -1.26 -4.52 118.16 119.35 2k3v n LYS 26 Ca 0.10 -3.05 0.00 0.00 -1.05 0.00 0.00 58.31 54.31 2k3v n LYS 26 Cb 0.49 -2.19 0.00 0.00 -0.65 0.00 0.00 35.03 32.68 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 -0.79 -1.79 0.00 -5.58 5.75 -1.26 -5.07 116.55 107.81 2k3v n ASP 27 Ca 0.53 0.58 0.00 0.00 -0.01 0.00 0.00 54.79 55.88 2k3v n ASP 27 Cb 1.56 1.80 0.00 0.00 -1.03 0.00 0.00 41.12 43.46 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 0.06 3.12 0.40 6.12 0.00 -1.26 -4.97 105.19 108.65 2k3v n GLY 28 Ca 0.00 -0.77 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.56 -0.82 4.61 0.00 -1.97 1.07 119.26 121.59 2k3v h ALA 29 Ca 0.00 0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.10 2k3v h ALA 29 Cb 0.00 0.82 -0.11 0.00 0.00 0.00 0.00 17.79 18.50 2k3v h ALA 29 CO 0.00 -0.92 0.29 -0.92 0.00 0.00 0.00 179.25 177.71 2k3v h TYR 30 N -0.45 0.48 0.02 0.00 3.20 -2.00 -0.61 116.97 117.61 2k3v h TYR 30 Ca 0.09 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 2k3v h TYR 30 Cb 0.62 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.80 2k3v h TYR 30 CO -0.52 -0.05 -0.01 1.49 -1.64 0.00 0.00 178.16 177.43 2k3v h GLU 31 N 0.36 -0.03 -1.32 1.82 4.22 -1.30 -2.91 114.58 115.43 2k3v h GLU 31 Ca 0.48 0.00 0.38 0.00 0.08 0.00 0.00 59.36 60.31 2k3v h GLU 31 Cb 0.85 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 2k3v h GLU 31 CO -0.51 0.39 1.04 0.35 -2.18 0.00 0.00 179.01 178.10 2k3v h PHE 32 N -0.45 0.00 -0.63 0.92 3.57 0.26 1.02 116.94 121.63 2k3v h PHE 32 Ca -0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2k3v h PHE 32 Cb 0.43 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.14 2k3v h PHE 32 CO 0.07 0.00 0.26 0.93 -2.23 0.00 0.00 178.31 177.35 2k3v h GLU 33 N 0.00 0.93 -1.04 1.11 4.39 -1.08 -2.24 114.58 116.65 2k3v h GLU 33 Ca 0.63 -0.16 0.26 0.00 0.34 0.00 0.00 59.36 60.43 2k3v h GLU 33 Cb 2.69 -0.15 -0.09 0.00 -0.10 0.00 0.00 28.75 31.10 2k3v h GLU 33 CO -0.01 0.77 0.67 1.96 -1.16 0.00 0.00 179.01 181.25 2k3v h GLN 34 N 0.87 0.37 -1.96 2.33 1.08 1.00 0.17 115.11 118.98 2k3v h GLN 34 Ca 0.21 -0.02 -0.36 0.00 -1.45 0.00 0.00 58.65 57.03 2k3v h GLN 34 Cb 0.18 -0.08 -0.13 0.00 -0.05 0.00 0.00 27.48 27.40 2k3v h GLN 34 CO -0.02 0.25 0.12 0.00 -0.95 0.00 0.00 178.83 178.22 2k3v n GLN 36 N 1.40 0.90 0.00 0.00 7.27 0.60 -4.44 117.38 123.12 2k3v n GLN 36 Ca 0.43 -2.59 0.00 0.00 0.07 0.00 0.00 57.00 54.92 2k3v n GLN 36 Cb 0.68 -1.36 0.00 0.00 2.41 0.00 0.00 30.24 31.97 2k3v n GLN 36 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 2k3v n SER 37 N 0.77 0.00 0.07 1.69 2.88 -1.26 -4.81 113.62 112.95 2k3v n SER 37 Ca 0.15 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.78 2k3v n SER 37 Cb 0.64 0.26 0.37 0.00 -0.75 0.00 0.00 64.21 64.73 2k3v n SER 37 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k3v n HIS 39 N -1.86 0.00 -1.40 0.00 -0.00 -1.26 -5.17 115.22 105.52 2k3v n HIS 39 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 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 4.63 -0.04 3.69 -1.41 0.00 -1.26 -5.04 105.19 105.76 2k3v n GLY 40 Ca 0.00 -1.22 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 5.03 0.50 1.61 0.15 -1.26 -4.40 113.70 111.33 2k3v s SER 41 Ca 0.00 -0.19 0.17 0.00 0.70 0.00 0.00 55.95 56.63 2k3v s SER 41 Cb 0.00 -1.19 1.22 0.00 -1.71 0.00 0.00 66.02 64.34 2k3v s SER 41 CO 0.00 0.17 2.09 -0.07 1.20 0.00 0.00 173.24 176.63 2k3v h LEU 42 N 3.35 0.09 0.00 3.45 3.38 -1.95 0.65 115.31 124.28 2k3v h LEU 42 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2k3v h LEU 42 Cb 1.17 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2k3v h LEU 42 CO 0.60 0.06 0.00 0.00 0.09 0.00 0.00 178.44 179.19 2k3v n ALA 43 N -2.55 1.88 -1.47 1.53 0.00 -1.26 -1.66 120.51 116.98 2k3v n ALA 43 Ca 0.01 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.45 2k3v n ALA 43 Cb 0.21 -1.26 0.17 0.00 0.00 0.00 0.00 19.45 18.57 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 -1.29 1.36 -2.59 0.00 1.02 0.23 -4.97 120.64 114.40 2k3v n GLU 44 Ca 0.07 -2.92 -0.08 0.00 -0.02 0.00 0.00 57.16 54.22 2k3v n GLU 44 Cb 0.13 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 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 -1.12 1.68 -0.41 3.49 2.81 -0.66 -4.80 117.12 118.10 2k3v n MET 45 Ca 0.17 -0.87 -0.23 0.00 -1.81 0.00 0.00 57.70 54.96 2k3v n MET 45 Cb 0.69 0.22 0.21 0.00 -0.71 0.00 0.00 33.22 33.64 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 -1.14 -3.40 -0.11 7.83 3.85 -1.26 -4.54 116.55 117.79 2k3v n ASP 46 Ca -0.05 -0.56 0.07 0.00 -0.71 0.00 0.00 54.79 53.54 2k3v n ASP 46 Cb 0.15 -0.88 0.38 0.00 -1.35 0.00 0.00 41.12 39.42 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 -3.11 0.32 -0.04 -1.12 9.92 -1.26 -2.00 116.55 119.27 2k3v n ASP 47 Ca 0.09 -1.62 0.04 0.00 -0.53 0.00 0.00 54.79 52.76 2k3v n ASP 47 Cb 0.45 -0.03 -0.16 0.00 -0.64 0.00 0.00 41.12 40.74 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 -0.50 0.06 -0.09 -2.24 3.02 -1.26 -4.25 115.26 110.00 2k3v n ASN 48 Ca 0.11 0.00 -0.20 0.00 -0.03 0.00 0.00 54.58 54.46 2k3v n ASN 48 Cb 0.10 1.66 -0.13 0.00 -0.61 0.00 0.00 39.78 40.81 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 -2.41 0.43 -0.01 3.10 8.25 -1.10 -4.43 115.22 119.04 2k3v n HIS 49 Ca -0.13 0.10 -0.01 0.00 -0.26 0.00 0.00 57.72 57.41 2k3v n HIS 49 Cb 0.76 -1.06 -0.01 0.00 1.12 0.00 0.00 29.99 30.80 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 -0.06 -0.04 -0.50 -0.41 1.57 -1.19 0.60 116.57 116.54 2k3v h LYS 50 Ca -0.53 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.39 2k3v h LYS 50 Cb 1.91 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 34.14 2k3v h LYS 50 CO -0.05 -0.03 0.01 -2.30 -0.57 0.00 0.00 179.45 176.52 2k3v n PRO 51 N -2.95 -0.04 -0.04 3.15 -0.02 -1.26 0.26 135.00 134.09 2k3v n PRO 51 Ca -0.00 0.75 -0.14 0.00 -2.02 0.00 0.00 63.50 62.09 2k3v n PRO 51 Cb 0.03 -1.20 -0.12 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.09 0.00 6.00 3.86 -1.34 -3.46 115.15 120.30 2k3v h HIS 52 Ca 0.31 -0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.47 2k3v h HIS 52 Cb 0.64 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.10 2k3v h HIS 52 CO -0.25 0.86 0.00 -3.47 0.86 0.00 0.00 177.93 175.93 2k3v n ASP 53 N -4.63 0.00 -0.34 2.45 2.03 0.71 -1.53 116.55 115.24 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 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.00 0.63 2.22 0.27 0.00 -1.26 -4.91 105.19 102.14 2k3v n GLY 54 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.34 -4.02 -4.21 0.99 4.77 -0.58 -5.14 117.00 108.46 2k3v n LEU 55 Ca 0.00 0.89 -0.17 0.00 -0.03 0.00 0.00 56.01 56.69 2k3v n LEU 55 Cb 0.15 3.74 -0.11 0.00 -2.33 0.00 0.00 43.42 44.87 2k3v n LEU 55 CO 0.00 0.24 -0.44 -1.48 -1.33 0.00 0.00 177.39 174.38 2k3v s LEU 56 N -6.90 2.38 0.76 2.23 2.34 -1.26 -5.15 118.68 113.08 2k3v s LEU 56 Ca 0.00 -0.78 -0.12 0.00 0.06 0.00 0.00 54.13 53.30 2k3v s LEU 56 Cb 0.00 -0.48 0.05 0.00 -0.56 0.00 0.00 46.19 45.20 2k3v s LEU 56 CO 0.00 -0.16 1.14 -0.04 -1.06 0.00 0.00 176.35 176.22 2k3v s MET 57 N -2.54 2.39 0.00 1.48 -1.94 -1.26 -4.85 119.30 112.58 2k3v s MET 57 Ca 0.06 0.30 -0.03 0.00 -1.71 0.00 0.00 55.69 54.32 2k3v s MET 57 Cb -0.05 -1.98 -0.01 0.00 2.01 0.00 0.00 34.83 34.79 2k3v s MET 57 CO 0.02 -1.34 1.04 0.00 -0.01 0.00 0.00 175.02 174.73 2k3v n ALA 59 N -2.14 -0.06 -0.48 0.00 0.00 -1.26 0.25 120.51 116.82 2k3v n ALA 59 Ca -0.01 0.98 0.38 0.00 0.00 0.00 0.00 53.44 54.79 2k3v n ALA 59 Cb 0.03 -0.47 0.60 0.00 0.00 0.00 0.00 19.45 19.62 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 -5.45 0.08 -0.08 0.00 9.92 -1.11 0.31 116.55 120.22 2k3v n ASP 60 Ca 0.11 0.95 -0.15 0.00 -0.53 0.00 0.00 54.79 55.17 2k3v n ASP 60 Cb 0.40 -0.47 -0.05 0.00 -0.64 0.00 0.00 41.12 40.36 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 -3.98 1.78 -1.46 0.00 8.25 0.42 -4.78 115.22 115.46 2k3v n HIS 62 Ca -0.27 -2.45 -0.36 0.00 -0.26 0.00 0.00 57.72 54.38 2k3v n HIS 62 Cb 0.61 -1.90 -0.16 0.00 1.12 0.00 0.00 29.99 29.65 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 2.30 0.46 0.30 -1.41 0.00 0.15 -4.35 120.51 117.96 2k3v n ALA 63 Ca 0.61 -0.38 -0.16 0.00 0.00 0.00 0.00 53.44 53.51 2k3v n ALA 63 Cb 0.45 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.58 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 11.46 -0.74 -2.55 0.00 0.11 -1.87 1.44 132.00 139.85 2k3v h PRO 64 Ca -0.03 0.05 -0.52 0.00 0.11 0.00 0.00 66.00 65.61 2k3v h PRO 64 Cb 1.24 0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.47 2k3v h PRO 64 CO 1.40 -0.43 2.04 0.72 -0.21 0.00 0.00 178.00 181.52 2k3v n HIS 65 N -5.35 1.62 0.00 0.65 8.25 -1.26 -3.15 115.22 115.98 2k3v n HIS 65 Ca -0.12 -2.46 0.00 0.00 -0.26 0.00 0.00 57.72 54.88 2k3v n HIS 65 Cb 0.34 -2.03 0.00 0.00 1.12 0.00 0.00 29.99 29.42 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 2.75 0.00 -0.49 -0.41 2.13 -1.18 -5.12 120.64 118.32 2k3v n GLU 66 Ca 0.63 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 58.16 2k3v n GLU 66 Cb 0.47 0.00 0.25 0.00 0.27 0.00 0.00 31.44 32.44 2k3v n GLU 66 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3v n ALA 67 N 0.00 -2.97 -3.11 4.31 0.00 0.49 -4.89 120.51 114.34 2k3v n ALA 67 Ca 0.00 -1.19 -0.20 0.00 0.00 0.00 0.00 53.44 52.05 2k3v n ALA 67 Cb 0.00 -1.98 -0.16 0.00 0.00 0.00 0.00 19.45 17.32 2k3v n ALA 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2k3v s LYS 68 N -4.35 0.91 -0.00 0.00 -2.85 -1.26 -2.84 119.74 109.35 2k3v s LYS 68 Ca 0.68 -0.27 -0.36 0.00 -1.00 0.00 0.00 55.97 55.02 2k3v s LYS 68 Cb -0.25 -0.86 -0.18 0.00 -2.06 0.00 0.00 37.83 34.48 2k3v s LYS 68 CO 0.65 0.08 0.97 0.28 0.10 0.00 0.00 175.35 177.43 2k3v n VAL 69 N 3.39 0.00 -2.22 1.79 0.31 -1.13 -1.45 118.33 119.02 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 0.54 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 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 1.37 0.84 2.73 2.92 0.00 -1.26 -4.95 105.19 106.84 2k3v n GLY 70 Ca 0.18 -0.69 -0.30 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 -4.46 0.79 -0.30 1.61 2.56 -0.52 -5.09 118.70 113.29 2k3v s GLU 71 Ca 0.00 -1.20 -0.29 0.00 0.00 0.00 0.00 54.97 53.48 2k3v s GLU 71 Cb 0.00 -2.04 0.00 0.00 2.00 0.00 0.00 34.13 34.09 2k3v s GLU 71 CO 0.00 -1.01 1.30 -1.59 -0.56 0.00 0.00 175.26 173.40 2k3v s LYS 72 N 1.45 3.92 0.78 4.30 -2.85 -1.26 -4.82 119.74 121.27 2k3v s LYS 72 Ca 0.11 1.25 -0.16 0.00 -1.00 0.00 0.00 55.97 56.17 2k3v s LYS 72 Cb -0.18 -3.88 -0.04 0.00 -2.06 0.00 0.00 37.83 31.67 2k3v s LYS 72 CO -0.22 -1.11 0.33 -2.30 0.10 0.00 0.00 175.35 172.15 2k3v n PRO 73 N 7.30 0.12 -4.20 1.78 -0.02 -1.26 -4.97 135.00 133.74 2k3v n PRO 73 Ca 0.15 0.08 -0.35 0.00 -2.02 0.00 0.00 63.50 61.35 2k3v n PRO 73 Cb 0.47 -1.70 -0.09 0.00 -0.02 0.00 0.00 33.50 32.16 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 -2.03 4.59 0.13 3.45 -4.23 -1.26 -4.96 115.64 111.33 2k3v s THR 74 Ca 0.60 -0.13 -0.13 0.00 -1.18 0.00 0.00 61.69 60.85 2k3v s THR 74 Cb -0.31 -2.99 -0.02 0.00 1.34 0.00 0.00 72.50 70.52 2k3v s THR 74 CO 0.63 0.56 1.55 0.00 -0.54 0.00 0.00 174.62 176.82 2k3v h ASP 76 N 0.61 0.00 -0.77 0.00 5.19 -1.66 2.40 116.42 122.19 2k3v h ASP 76 Ca 0.11 0.00 0.02 0.00 -0.62 0.00 0.00 57.03 56.54 2k3v h ASP 76 Cb 0.60 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.06 2k3v h ASP 76 CO 0.04 0.00 0.49 0.74 -3.12 0.00 0.00 179.24 177.39 2k3v h THR 77 N 0.00 1.14 0.00 0.35 2.02 -1.81 -3.32 112.91 111.30 2k3v h THR 77 Ca 0.59 -0.34 -0.15 0.00 0.77 0.00 0.00 66.41 67.27 2k3v h THR 77 Cb 2.87 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 69.34 2k3v h THR 77 CO -0.01 0.18 -1.40 0.00 0.37 0.00 0.00 175.52 174.66 2k3v s HIS 79 N -2.24 3.22 -0.30 0.00 3.76 0.67 -4.85 115.29 115.56 2k3v s HIS 79 Ca -0.15 -1.41 0.01 0.00 -0.15 0.00 0.00 55.06 53.36 2k3v s HIS 79 Cb 0.05 -4.13 0.35 0.00 1.11 0.00 0.00 32.58 29.96 2k3v s HIS 79 CO 0.20 -1.35 1.67 -0.25 -0.85 0.00 0.00 174.74 174.15 2k3v n ASP 80 N 5.98 4.36 -1.28 1.40 8.00 -1.25 -2.67 116.55 131.09 2k3v n ASP 80 Ca 0.15 -3.01 0.08 0.00 0.71 0.00 0.00 54.79 52.72 2k3v n ASP 80 Cb 0.47 -0.79 0.31 0.00 -0.02 0.00 0.00 41.12 41.09 2k3v n ASP 80 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2k3v n ASP 81 N -0.29 4.41 0.00 -2.24 5.68 -1.26 -4.89 116.55 117.95 2k3v n ASP 81 Ca 0.35 -2.67 0.00 0.00 -0.50 0.00 0.00 54.79 51.97 2k3v n ASP 81 Cb 1.01 -0.54 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 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 0.40 2.75 2.58 6.12 0.00 -1.25 -5.01 105.19 110.77 2k3v n GLY 82 Ca 0.23 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.31 1.61 3.00 -1.26 -4.94 116.66 108.77 2k3v n ARG 83 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.66 2k3v n ARG 83 Cb 0.00 -1.10 -0.11 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 0.05 1.64 0.78 5.15 -4.23 -1.26 -4.12 115.64 113.66 2k3v s THR 84 Ca 0.67 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.07 2k3v s THR 84 Cb -0.94 -1.85 0.06 0.00 1.34 0.00 0.00 72.50 71.11 2k3v s THR 84 CO 0.42 -0.48 1.11 0.00 -0.54 0.00 0.00 174.62 175.13 2k3v s ALA 85 N -2.51 2.14 0.00 3.99 0.00 -1.26 -5.02 121.76 119.10 2k3v s ALA 85 Ca 0.17 0.37 0.00 0.00 0.00 0.00 0.00 51.96 52.50 2k3v s ALA 85 Cb -0.03 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2k3v s ALA 85 CO 0.06 -1.88 0.09 1.17 0.00 0.00 0.00 175.76 175.19