#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3d h PHE 13 N 0.00 0.00 -0.20 0.00 0.04 -2.06 -2.28 116.94 112.45 2k3d h PHE 13 Ca 0.00 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.67 2k3d h PHE 13 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 2k3d h PHE 13 CO 0.00 0.00 -0.31 0.74 -0.60 0.00 0.00 178.31 178.14 2k3d h PHE 14 N 0.00 0.46 -0.29 -0.55 0.04 -2.05 -1.93 116.94 112.61 2k3d h PHE 14 Ca 0.00 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 2k3d h PHE 14 Cb 0.28 -0.11 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2k3d h PHE 14 CO 0.00 0.68 0.16 -0.91 -0.60 0.00 0.00 178.31 177.64 2k3d h ASN 15 N 0.35 0.37 0.04 2.17 2.35 -1.85 0.12 115.58 119.14 2k3d h ASN 15 Ca 0.05 -0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.55 2k3d h ASN 15 Cb 0.72 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 2k3d h ASN 15 CO 0.06 0.35 -0.56 1.05 -1.65 0.00 0.00 177.43 176.68 2k3d h GLU 16 N 0.36 0.54 -0.54 0.81 4.11 -1.67 -2.61 114.58 115.57 2k3d h GLU 16 Ca 0.10 -0.34 -0.09 0.00 0.07 0.00 0.00 59.36 59.10 2k3d h GLU 16 Cb 0.06 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2k3d h GLU 16 CO -0.02 0.95 -0.01 0.37 0.07 0.00 0.00 179.01 180.38 2k3d h GLN 17 N 0.41 0.96 -0.64 1.06 5.75 -1.04 -2.44 115.11 119.18 2k3d h GLN 17 Ca 0.01 -0.31 -0.07 0.00 -0.15 0.00 0.00 58.65 58.13 2k3d h GLN 17 Cb 1.10 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 2k3d h GLN 17 CO 0.10 0.97 0.13 0.87 -2.65 0.00 0.00 178.83 178.26 2k3d h LYS 18 N 0.84 1.03 -0.71 1.69 1.57 -0.70 -2.18 116.57 118.12 2k3d h LYS 18 Ca 0.15 -0.26 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 2k3d h LYS 18 Cb 0.54 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.69 2k3d h LYS 18 CO 0.03 0.95 0.40 0.93 -0.57 0.00 0.00 179.45 181.19 2k3d h GLU 19 N 0.95 0.97 -0.55 3.15 3.07 -1.28 0.90 114.58 121.79 2k3d h GLU 19 Ca 0.20 -0.11 -0.05 0.00 -0.50 0.00 0.00 59.36 58.90 2k3d h GLU 19 Cb 0.39 -0.20 -0.02 0.00 -0.84 0.00 0.00 28.75 28.08 2k3d h GLU 19 CO 0.01 0.72 0.15 0.87 -1.40 0.00 0.00 179.01 179.36 2k3d h LYS 20 N 0.97 0.87 -0.43 2.33 1.57 -1.22 -1.41 116.57 119.25 2k3d h LYS 20 Ca 0.25 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2k3d h LYS 20 Cb 0.01 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2k3d h LYS 20 CO -0.04 0.80 0.05 0.28 -0.57 0.00 0.00 179.45 179.98 2k3d h VAL 21 N 0.78 1.25 -0.44 0.50 2.07 -0.95 -1.91 116.25 117.55 2k3d h VAL 21 Ca 0.18 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2k3d h VAL 21 Cb 0.31 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 2k3d h VAL 21 CO -0.00 0.32 0.24 0.74 0.02 0.00 0.00 177.57 178.88 2k3d h THR 22 N 0.57 1.16 -0.72 2.57 2.02 -0.63 -0.48 112.91 117.40 2k3d h THR 22 Ca 0.13 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 2k3d h THR 22 Cb 0.40 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2k3d h THR 22 CO 0.01 0.17 0.28 0.25 0.37 0.00 0.00 175.52 176.61 2k3d h LEU 23 N 0.58 1.00 -0.66 2.58 5.85 -1.15 -2.48 115.31 121.02 2k3d h LEU 23 Ca 0.15 -0.18 -0.10 0.00 0.84 0.00 0.00 57.88 58.60 2k3d h LEU 23 Cb 0.07 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2k3d h LEU 23 CO -0.02 0.90 -0.05 0.22 -0.34 0.00 0.00 178.44 179.15 2k3d h TYR 24 N 1.03 1.10 -0.24 1.25 3.20 -1.04 -2.53 116.97 119.73 2k3d h TYR 24 Ca 0.24 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 2k3d h TYR 24 Cb 0.22 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2k3d h TYR 24 CO 0.02 0.99 0.13 -0.07 -1.64 0.00 0.00 178.16 177.59 2k3d h LEU 25 N 0.91 0.30 -1.05 2.82 3.38 -0.76 -0.77 115.31 120.14 2k3d h LEU 25 Ca 0.15 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2k3d h LEU 25 Cb 0.59 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 2k3d h LEU 25 CO 0.04 0.31 -0.15 0.07 0.09 0.00 0.00 178.44 178.80 2k3d h LYS 26 N 0.27 0.50 -0.13 1.13 2.10 -1.41 0.30 116.57 119.33 2k3d h LYS 26 Ca 0.08 -0.15 -0.18 0.00 -2.00 0.00 0.00 60.65 58.40 2k3d h LYS 26 Cb 0.08 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.36 2k3d h LYS 26 CO -0.01 0.64 -0.65 0.45 -2.00 0.00 0.00 179.45 177.87 2k3d h HIS 27 N 0.46 0.65 -0.02 0.07 3.86 -1.18 -3.06 115.15 115.93 2k3d h HIS 27 Ca 0.08 -0.26 0.00 0.00 -1.16 0.00 0.00 60.37 59.03 2k3d h HIS 27 Cb 0.53 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.89 2k3d h HIS 27 CO 0.02 1.01 -0.09 0.09 0.86 0.00 0.00 177.93 179.82 2k3d n ASN 28 N -3.90 2.02 -3.42 2.45 3.02 -0.32 -4.62 115.26 110.49 2k3d n ASN 28 Ca -0.04 -1.59 -0.27 0.00 -0.03 0.00 0.00 54.58 52.65 2k3d n ASN 28 Cb 0.66 0.08 -0.11 0.00 -0.61 0.00 0.00 39.78 39.80 2k3d n ASN 28 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2k3d s ILE 29 N -2.13 0.14 0.48 2.41 1.01 0.10 -4.01 121.20 119.21 2k3d s ILE 29 Ca 0.30 -1.93 0.18 0.00 0.00 0.00 0.00 60.65 59.21 2k3d s ILE 29 Cb 0.20 -1.10 0.35 0.00 0.01 0.00 0.00 42.46 41.92 2k3d s ILE 29 CO 0.38 -1.02 2.00 -0.65 0.00 0.00 0.00 174.94 175.65 2k3d h PRO 30 N 6.56 0.20 -0.38 2.79 0.11 -1.82 0.13 132.00 139.60 2k3d h PRO 30 Ca 0.12 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.22 2k3d h PRO 30 Cb 0.96 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2k3d h PRO 30 CO 0.28 0.14 0.00 -0.25 -0.21 0.00 0.00 178.00 177.96 2k3d n ASP 31 N -4.44 0.83 -4.69 -2.05 8.00 -1.26 -4.89 116.55 108.04 2k3d n ASP 31 Ca 0.09 -2.04 -0.44 0.00 0.71 0.00 0.00 54.79 53.11 2k3d n ASP 31 Cb 0.44 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 2k3d n ASP 31 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2k3d n PHE 32 N -0.14 2.48 0.01 1.24 -0.00 0.46 -4.89 117.46 116.61 2k3d n PHE 32 Ca 0.03 0.20 -0.01 0.00 -0.00 0.00 0.00 57.45 57.67 2k3d n PHE 32 Cb 0.17 -2.59 -0.00 0.00 -0.00 0.00 0.00 39.48 37.06 2k3d n PHE 32 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2k3d n ASN 33 N 3.44 0.40 -4.12 -2.13 2.85 -1.26 -5.07 115.26 109.36 2k3d n ASN 33 Ca 0.16 0.06 -0.10 0.00 -0.11 0.00 0.00 54.58 54.59 2k3d n ASN 33 Cb 0.32 -0.19 -0.10 0.00 1.24 0.00 0.00 39.78 41.05 2k3d n ASN 33 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2k3d s THR 34 N -1.37 0.10 -0.01 -0.44 -1.32 -1.26 -4.96 115.64 106.37 2k3d s THR 34 Ca -0.02 -1.84 0.02 0.00 -1.21 0.00 0.00 61.69 58.65 2k3d s THR 34 Cb 0.00 -2.01 -0.00 0.00 -1.51 0.00 0.00 72.50 68.98 2k3d s THR 34 CO 0.02 -0.44 -0.08 0.54 -2.21 0.00 0.00 174.62 172.45 2k3d s VAL 35 N -4.04 0.64 -0.18 5.08 0.11 -1.26 -2.14 120.40 118.61 2k3d s VAL 35 Ca 0.23 -0.33 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2k3d s VAL 35 Cb 0.07 -0.55 0.04 0.00 -1.53 0.00 0.00 36.38 34.41 2k3d s VAL 35 CO 0.01 0.19 -0.10 -0.89 -3.33 0.00 0.00 175.10 170.98 2k3d s THR 36 N -0.07 1.57 0.03 5.04 2.01 -0.41 -4.99 115.64 118.81 2k3d s THR 36 Ca 0.01 -0.89 -0.23 0.00 0.31 0.00 0.00 61.69 60.90 2k3d s THR 36 Cb -0.04 -1.62 -0.06 0.00 0.01 0.00 0.00 72.50 70.79 2k3d s THR 36 CO -0.00 0.22 0.68 -0.36 -0.69 0.00 0.00 174.62 174.47 2k3d s PHE 37 N 1.44 3.73 -0.10 4.92 0.40 -1.26 -2.10 117.98 125.01 2k3d s PHE 37 Ca 0.00 1.35 0.04 0.00 -0.60 0.00 0.00 56.93 57.72 2k3d s PHE 37 Cb -0.15 -2.70 -0.09 0.00 0.51 0.00 0.00 43.02 40.59 2k3d s PHE 37 CO -0.09 0.35 -0.04 0.25 0.70 0.00 0.00 175.22 176.39 2k3d n THR 38 N 2.61 0.61 -2.75 0.64 -2.24 0.23 -4.97 114.28 108.41 2k3d n THR 38 Ca -0.05 -0.29 -0.19 0.00 -2.27 0.00 0.00 64.05 61.24 2k3d n THR 38 Cb 0.50 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.90 2k3d n THR 38 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2k3d n ASN 39 N -2.61 -5.03 -1.34 3.42 3.02 -1.03 -4.82 115.26 106.86 2k3d n ASN 39 Ca -0.17 -0.10 0.06 0.00 -0.03 0.00 0.00 54.58 54.35 2k3d n ASN 39 Cb 0.74 -4.16 0.27 0.00 -0.61 0.00 0.00 39.78 36.02 2k3d n ASN 39 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2k3d n GLU 40 N -3.36 3.31 -4.12 3.52 1.02 -1.26 -4.88 120.64 114.86 2k3d n GLU 40 Ca -0.14 -2.16 -0.15 0.00 -0.02 0.00 0.00 57.16 54.69 2k3d n GLU 40 Cb 0.62 -1.85 -0.12 0.00 -0.02 0.00 0.00 31.44 30.08 2k3d n GLU 40 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2k3d s GLU 41 N -1.95 0.59 -0.29 3.49 2.02 -1.26 -5.05 118.70 116.25 2k3d s GLU 41 Ca 0.38 -0.72 -0.13 0.00 0.02 0.00 0.00 54.97 54.52 2k3d s GLU 41 Cb 0.26 -0.44 0.11 0.00 0.10 0.00 0.00 34.13 34.16 2k3d s GLU 41 CO 0.16 0.09 0.71 -0.59 0.02 0.00 0.00 175.26 175.65 2k3d s PHE 42 N -1.16 -1.14 0.24 1.61 -0.12 -1.26 -3.99 117.98 112.17 2k3d s PHE 42 Ca -0.06 2.11 -0.09 0.00 -0.05 0.00 0.00 56.93 58.84 2k3d s PHE 42 Cb -0.09 0.68 -0.07 0.00 -0.63 0.00 0.00 43.02 42.92 2k3d s PHE 42 CO 0.01 -0.56 0.55 0.54 -0.05 0.00 0.00 175.22 175.71 2k3d s ASN 43 N 2.21 6.59 0.53 1.98 2.20 -1.26 -4.87 114.94 122.33 2k3d s ASN 43 Ca -0.08 0.88 0.28 0.00 -0.94 0.00 0.00 52.86 53.01 2k3d s ASN 43 Cb -0.08 -2.21 1.47 0.00 -2.00 0.00 0.00 41.25 38.43 2k3d s ASN 43 CO -0.19 -0.10 2.07 1.55 -2.94 0.00 0.00 177.10 177.49 2k3d h PRO 44 N 2.35 0.00 0.00 3.55 0.13 -2.02 -2.20 132.00 133.82 2k3d h PRO 44 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 2k3d h PRO 44 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2k3d h PRO 44 CO 0.68 0.11 -0.36 0.97 -0.23 0.00 0.00 178.00 179.18 2k3d h ILE 45 N 0.00 0.95 0.00 -3.56 6.09 -2.07 -3.48 117.51 115.44 2k3d h ILE 45 Ca -0.00 -1.39 0.00 0.00 -1.37 0.00 0.00 64.86 62.10 2k3d h ILE 45 Cb 0.34 1.82 0.00 0.00 0.47 0.00 0.00 36.82 39.45 2k3d h ILE 45 CO 0.01 0.35 0.00 0.61 -3.07 0.00 0.00 178.15 176.06 2k3d n GLY 46 N -0.01 -0.12 3.34 8.18 0.00 -0.82 -5.16 105.19 110.60 2k3d n GLY 46 Ca -0.01 0.57 -0.19 0.00 0.00 0.00 0.00 46.02 46.39 2k3d n GLY 46 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2k3d s ILE 47 N 2.91 1.76 -0.02 -0.61 -4.36 -1.26 -3.99 121.20 115.63 2k3d s ILE 47 Ca 0.00 -2.15 -0.02 0.00 -0.26 0.00 0.00 60.65 58.22 2k3d s ILE 47 Cb 0.00 -2.00 0.01 0.00 1.25 0.00 0.00 42.46 41.72 2k3d s ILE 47 CO 0.00 -0.54 0.06 -0.44 0.24 0.00 0.00 174.94 174.27 2k3d s SER 48 N -3.18 -0.06 -0.16 4.36 0.01 -1.26 -4.34 113.70 109.07 2k3d s SER 48 Ca 0.21 0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.57 2k3d s SER 48 Cb -0.02 0.12 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 2k3d s SER 48 CO 0.07 -0.02 -0.08 -0.63 0.41 0.00 0.00 173.24 172.98 2k3d s ILE 49 N 0.06 3.36 0.02 1.44 1.01 -0.19 -4.33 121.20 122.56 2k3d s ILE 49 Ca -0.00 -0.54 0.09 0.00 0.00 0.00 0.00 60.65 60.20 2k3d s ILE 49 Cb -0.01 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 2k3d s ILE 49 CO -0.00 0.49 -0.26 -0.62 0.00 0.00 0.00 174.94 174.55 2k3d s ASP 50 N 0.66 3.15 0.04 3.58 -1.08 -1.26 -1.85 116.67 119.91 2k3d s ASP 50 Ca -0.05 -0.55 -0.16 0.00 -0.52 0.00 0.00 52.55 51.28 2k3d s ASP 50 Cb -0.15 -0.31 0.05 0.00 -1.46 0.00 0.00 42.92 41.05 2k3d s ASP 50 CO 0.02 0.28 0.72 0.61 0.52 0.00 0.00 175.17 177.33 2k3d n GLY 51 N 1.99 0.60 3.21 2.66 0.00 -0.99 -0.60 105.19 112.05 2k3d n GLY 51 Ca -0.17 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 2k3d n GLY 51 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2k3d s TYR 52 N -2.95 0.60 0.34 1.61 1.13 -0.89 -0.18 117.35 117.00 2k3d s TYR 52 Ca 0.17 -1.00 0.10 0.00 -1.41 0.00 0.00 57.07 54.93 2k3d s TYR 52 Cb -0.01 -0.29 -0.06 0.00 -1.10 0.00 0.00 41.96 40.50 2k3d s TYR 52 CO 0.01 -0.57 -0.08 0.96 -2.51 0.00 0.00 175.55 173.37 2k3d s ILE 53 N -3.99 2.36 -1.53 -3.49 -4.36 -0.98 -1.29 121.20 107.92 2k3d s ILE 53 Ca 0.18 -2.17 -0.05 0.00 -0.26 0.00 0.00 60.65 58.35 2k3d s ILE 53 Cb 0.06 -2.65 0.01 0.00 1.25 0.00 0.00 42.46 41.13 2k3d s ILE 53 CO -0.02 -0.22 0.49 0.59 0.24 0.00 0.00 174.94 176.03 2k3d n ASN 54 N -0.82 -5.70 -1.22 4.36 3.02 -0.91 -1.54 115.26 112.45 2k3d n ASN 54 Ca -0.05 -0.25 -0.06 0.00 -0.03 0.00 0.00 54.58 54.20 2k3d n ASN 54 Cb 0.63 -4.64 -0.02 0.00 -0.61 0.00 0.00 39.78 35.13 2k3d n ASN 54 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 2k3d n ASN 55 N -2.40 -1.49 -4.41 6.41 2.85 -1.26 -4.84 115.26 110.10 2k3d n ASN 55 Ca -0.12 0.15 -0.42 0.00 -0.11 0.00 0.00 54.58 54.08 2k3d n ASN 55 Cb 0.62 -1.67 -0.10 0.00 1.24 0.00 0.00 39.78 39.87 2k3d n ASN 55 CO 0.00 0.00 0.00 -1.81 -2.11 0.00 0.00 177.26 173.34 2k3d s ASP 56 N -1.49 5.94 0.44 1.20 1.01 -0.59 -4.94 116.67 118.24 2k3d s ASP 56 Ca 0.00 -0.98 0.13 0.00 0.71 0.00 0.00 52.55 52.41 2k3d s ASP 56 Cb 0.00 -2.10 1.04 0.00 1.01 0.00 0.00 42.92 42.88 2k3d s ASP 56 CO 0.00 -0.44 2.01 0.11 0.21 0.00 0.00 175.17 177.07 2k3d h LYS 57 N 8.55 0.36 -0.83 8.23 1.57 -1.88 -1.46 116.57 131.11 2k3d h LYS 57 Ca -0.26 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.47 2k3d h LYS 57 Cb 1.11 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 2k3d h LYS 57 CO 0.71 0.24 0.42 -0.91 -0.57 0.00 0.00 179.45 179.34 2k3d h ASN 58 N 0.37 1.06 -0.29 0.86 -0.26 -1.93 -3.27 115.58 112.12 2k3d h ASN 58 Ca 0.22 -0.11 -0.71 0.00 -0.56 0.00 0.00 56.30 55.14 2k3d h ASN 58 Cb 0.39 -0.27 -0.06 0.00 -1.06 0.00 0.00 38.32 37.32 2k3d h ASN 58 CO -0.05 0.88 2.88 0.18 -1.06 0.00 0.00 177.43 180.25 2k3d n LEU 59 N -4.32 6.60 -4.93 1.61 4.77 -0.55 -4.75 117.00 115.44 2k3d n LEU 59 Ca 0.08 -4.18 -0.25 0.00 -0.03 0.00 0.00 56.01 51.63 2k3d n LEU 59 Cb 0.12 -1.65 0.00 0.00 -2.33 0.00 0.00 43.42 39.57 2k3d n LEU 59 CO 0.39 1.03 0.34 -0.94 -1.33 0.00 0.00 177.39 176.88 2k3d s SER 60 N 3.04 6.08 0.02 -1.43 1.04 -1.23 -2.32 113.70 118.90 2k3d s SER 60 Ca 0.47 0.60 -0.13 0.00 0.48 0.00 0.00 55.95 57.37 2k3d s SER 60 Cb 0.12 -1.94 0.02 0.00 0.10 0.00 0.00 66.02 64.32 2k3d s SER 60 CO -0.06 -0.59 0.29 0.72 0.98 0.00 0.00 173.24 174.58 2k3d s PHE 61 N -2.60 -0.11 -0.03 5.02 -0.12 0.75 -4.01 117.98 116.87 2k3d s PHE 61 Ca 0.46 0.06 0.03 0.00 -0.05 0.00 0.00 56.93 57.43 2k3d s PHE 61 Cb -0.10 0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.37 2k3d s PHE 61 CO 0.41 -0.44 -0.10 0.99 -0.05 0.00 0.00 175.22 176.02 2k3d s THR 62 N -2.00 0.90 0.02 -4.49 2.01 -1.05 -2.36 115.64 108.67 2k3d s THR 62 Ca -0.09 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.50 2k3d s THR 62 Cb -0.03 -0.80 -0.01 0.00 0.01 0.00 0.00 72.50 71.67 2k3d s THR 62 CO -0.00 0.28 -0.03 0.00 -0.69 0.00 0.00 174.62 174.18 2k3d s ALA 63 N 0.22 0.16 0.00 7.40 0.00 -0.77 -1.94 121.76 126.83 2k3d s ALA 63 Ca -0.04 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.50 2k3d s ALA 63 Cb -0.10 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.10 2k3d s ALA 63 CO 0.01 -0.08 0.00 0.41 0.00 0.00 0.00 175.76 176.10 2k3d n GLY 64 N 2.11 4.07 3.74 0.00 0.00 -0.81 -1.02 105.19 113.29 2k3d n GLY 64 Ca -0.20 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 2k3d n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3d s LYS 65 N 2.52 4.20 -0.99 1.61 1.02 -1.26 -1.96 119.74 124.88 2k3d s LYS 65 Ca 0.00 2.42 0.00 0.00 0.02 0.00 0.00 55.97 58.41 2k3d s LYS 65 Cb 0.00 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.23 2k3d s LYS 65 CO 0.00 -0.53 0.00 -0.25 -0.92 0.00 0.00 175.35 173.65 2k3d n ASP 66 N 2.54 -3.70 -2.54 2.83 8.00 -1.26 -0.42 116.55 122.00 2k3d n ASP 66 Ca 0.08 0.22 -0.10 0.00 0.71 0.00 0.00 54.79 55.70 2k3d n ASP 66 Cb 0.39 -3.16 -0.00 0.00 -0.02 0.00 0.00 41.12 38.32 2k3d n ASP 66 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2k3d n VAL 67 N -3.31 -0.47 -0.14 2.53 0.31 -0.83 -4.79 118.33 111.63 2k3d n VAL 67 Ca -0.14 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.11 2k3d n VAL 67 Cb 0.60 -1.31 -0.00 0.00 -0.91 0.00 0.00 33.84 32.22 2k3d n VAL 67 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2k3d h LYS 68 N -0.08 0.60 -5.26 5.55 1.63 -0.93 -3.41 116.57 114.66 2k3d h LYS 68 Ca -0.23 -0.08 -0.65 0.00 -0.85 0.00 0.00 60.65 58.84 2k3d h LYS 68 Cb 1.17 -0.11 -0.25 0.00 -0.60 0.00 0.00 32.23 32.43 2k3d h LYS 68 CO 0.28 0.51 -0.73 0.42 -3.45 0.00 0.00 179.45 176.48 2k3d s ILE 69 N -5.75 3.36 -0.01 2.00 1.01 -1.26 -4.99 121.20 115.56 2k3d s ILE 69 Ca -0.13 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.00 2k3d s ILE 69 Cb 0.11 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 40.12 2k3d s ILE 69 CO 0.75 0.50 -0.07 0.12 0.00 0.00 0.00 174.94 176.24 2k3d s PHE 70 N 0.54 0.65 0.03 3.97 5.36 -1.26 -1.92 117.98 125.36 2k3d s PHE 70 Ca -0.06 -0.13 0.04 0.00 -0.96 0.00 0.00 56.93 55.81 2k3d s PHE 70 Cb -0.15 -0.45 -0.02 0.00 -0.34 0.00 0.00 43.02 42.06 2k3d s PHE 70 CO 0.03 -0.04 -0.11 0.45 -1.46 0.00 0.00 175.22 174.10 2k3d s SER 71 N -0.01 1.24 0.03 6.13 0.15 -0.82 -5.01 113.70 115.42 2k3d s SER 71 Ca 0.01 -0.43 0.03 0.00 0.70 0.00 0.00 55.95 56.25 2k3d s SER 71 Cb -0.05 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.19 2k3d s SER 71 CO -0.00 -0.04 -0.08 -0.55 1.20 0.00 0.00 173.24 173.77 2k3d s SER 72 N -1.12 0.94 0.93 5.45 0.15 -1.26 -2.53 113.70 116.26 2k3d s SER 72 Ca -0.02 -0.43 -0.14 0.00 0.70 0.00 0.00 55.95 56.05 2k3d s SER 72 Cb -0.08 -0.01 0.16 0.00 -1.71 0.00 0.00 66.02 64.38 2k3d s SER 72 CO 0.01 -0.11 1.22 -0.94 1.20 0.00 0.00 173.24 174.62 2k3d s SER 73 N -1.19 3.39 0.13 5.45 1.04 -1.26 -4.67 113.70 116.59 2k3d s SER 73 Ca -0.05 0.62 -0.19 0.00 0.48 0.00 0.00 55.95 56.80 2k3d s SER 73 Cb -0.08 -0.93 -0.04 0.00 0.10 0.00 0.00 66.02 65.07 2k3d s SER 73 CO 0.00 -2.59 1.75 -0.08 0.98 0.00 0.00 173.24 173.31 2k3d h GLU 74 N -1.53 0.17 -0.27 4.02 4.81 -1.96 0.53 114.58 120.34 2k3d h GLU 74 Ca -0.46 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.70 2k3d h GLU 74 Cb 1.29 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2k3d h GLU 74 CO 0.51 0.11 -0.06 0.93 -0.73 0.00 0.00 179.01 179.77 2k3d h GLU 75 N 0.18 0.52 -0.72 1.92 3.07 -1.93 -2.50 114.58 115.11 2k3d h GLU 75 Ca 0.09 -0.20 -0.06 0.00 -0.50 0.00 0.00 59.36 58.69 2k3d h GLU 75 Cb 0.06 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.91 2k3d h GLU 75 CO -0.09 0.73 0.21 1.25 -1.40 0.00 0.00 179.01 179.71 2k3d h LEU 76 N 0.27 1.07 -0.89 1.33 5.85 -1.80 -2.40 115.31 118.74 2k3d h LEU 76 Ca 0.07 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.61 2k3d h LEU 76 Cb 0.54 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 2k3d h LEU 76 CO 0.03 1.00 0.58 -0.78 -0.34 0.00 0.00 178.44 178.92 2k3d h ASP 77 N 1.08 0.96 -0.35 1.25 3.58 0.17 -1.54 116.42 121.57 2k3d h ASP 77 Ca 0.23 -0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.60 2k3d h ASP 77 Cb 0.32 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 2k3d h ASP 77 CO -0.00 0.66 -0.02 0.11 -2.88 0.00 0.00 179.24 177.10 2k3d h LYS 78 N 1.12 0.74 -0.71 0.28 1.57 -1.04 -2.65 116.57 115.87 2k3d h LYS 78 Ca 0.35 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2k3d h LYS 78 Cb 0.00 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 2k3d h LYS 78 CO -0.12 0.76 0.33 0.52 -0.57 0.00 0.00 179.45 180.38 2k3d h MET 79 N 0.69 1.02 -6.80 3.15 2.86 -0.81 -3.42 114.93 111.61 2k3d h MET 79 Ca 0.13 -0.14 -0.55 0.00 -2.06 0.00 0.00 59.70 57.08 2k3d h MET 79 Cb 0.45 -0.19 0.10 0.00 0.06 0.00 0.00 31.60 32.03 2k3d h MET 79 CO 0.02 0.79 0.70 1.19 1.06 0.00 0.00 176.91 180.67 2k3d n PHE 80 N -4.33 2.65 0.20 -0.22 3.01 -0.95 -4.89 117.46 112.93 2k3d n PHE 80 Ca 0.07 0.43 0.06 0.00 1.01 0.00 0.00 57.45 59.02 2k3d n PHE 80 Cb 0.14 -2.50 -0.09 0.00 -0.01 0.00 0.00 39.48 37.02 2k3d n PHE 80 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 2k3d n GLN 81 N 1.08 1.22 -4.18 -1.08 7.27 -1.26 -4.99 117.38 115.44 2k3d n GLN 81 Ca 0.05 -0.08 -0.18 0.00 0.07 0.00 0.00 57.00 56.86 2k3d n GLN 81 Cb 0.37 -1.24 -0.12 0.00 2.41 0.00 0.00 30.24 31.66 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.83 0.07 0.00 0.00 177.06 175.30 2k3d s GLU 82 N -2.67 0.86 0.79 3.69 -1.05 -1.26 -5.15 118.70 113.91 2k3d s GLU 82 Ca -0.02 -1.02 -0.11 0.00 -0.15 0.00 0.00 54.97 53.67 2k3d s GLU 82 Cb 0.09 -0.82 0.07 0.00 -0.44 0.00 0.00 34.13 33.03 2k3d s GLU 82 CO 0.54 0.17 1.10 -1.25 0.95 0.00 0.00 175.26 176.77 2k3d s PRO 83 N -2.00 2.11 0.19 -4.83 0.04 -1.26 -4.96 135.00 124.28 2k3d s PRO 83 Ca 0.01 1.23 -0.31 0.00 0.04 0.00 0.00 61.00 61.97 2k3d s PRO 83 Cb -0.08 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 2k3d s PRO 83 CO 0.02 -1.76 1.43 0.50 0.04 0.00 0.00 177.00 177.23 2k3d s ARG 84 N -4.84 4.29 0.00 4.56 3.52 -1.26 -4.92 118.95 120.30 2k3d s ARG 84 Ca 0.62 2.21 0.00 0.00 -0.13 0.00 0.00 55.73 58.43 2k3d s ARG 84 Cb -0.18 -3.17 0.00 0.00 -1.56 0.00 0.00 34.95 30.04 2k3d s ARG 84 CO 0.56 -0.44 0.00 1.63 -0.81 0.00 0.00 175.30 176.24 2k3d n LYS 85 N 3.16 0.00 0.00 5.12 5.02 -1.26 -5.16 118.16 125.03 2k3d n LYS 85 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2k3d n LYS 85 Cb 0.41 -0.02 0.00 0.00 -0.02 0.00 0.00 35.03 35.40 2k3d n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3d n GLY 86 N 3.54 2.80 0.21 0.72 0.00 -1.26 -4.87 105.19 106.33 2k3d n GLY 86 Ca 0.00 -0.79 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 2k3d n GLY 86 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2k3d h TYR 87 N 0.00 0.67 0.00 1.61 3.20 -1.87 -1.76 116.97 118.82 2k3d h TYR 87 Ca 0.00 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.78 2k3d h TYR 87 Cb 0.00 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.06 2k3d h TYR 87 CO 0.00 0.55 -0.25 -0.44 -1.64 0.00 0.00 178.16 176.38 2k3d h ASP 88 N 0.60 0.00 -0.18 -2.11 3.32 -1.95 -2.84 116.42 113.28 2k3d h ASP 88 Ca 0.16 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2k3d h ASP 88 Cb 0.14 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2k3d h ASP 88 CO -0.02 0.25 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.25 2k3d h GLU 89 N 0.00 0.43 -0.35 3.56 4.39 -1.72 -2.49 114.58 118.39 2k3d h GLU 89 Ca -0.00 -0.23 -0.09 0.00 0.34 0.00 0.00 59.36 59.38 2k3d h GLU 89 Cb 0.87 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 2k3d h GLU 89 CO 0.03 0.79 -0.17 -0.84 -1.16 0.00 0.00 179.01 177.66 2k3d h ILE 90 N 0.08 1.26 -0.74 3.13 3.07 -1.31 -2.31 117.51 120.68 2k3d h ILE 90 Ca 0.03 -1.20 -0.05 0.00 1.55 0.00 0.00 64.86 65.18 2k3d h ILE 90 Cb 0.71 1.17 -0.03 0.00 -0.27 0.00 0.00 36.82 38.40 2k3d h ILE 90 CO 0.04 0.40 0.26 -0.07 -1.05 0.00 0.00 178.15 177.74 2k3d h LEU 91 N 0.58 1.05 -0.39 0.16 3.38 -1.44 0.78 115.31 119.42 2k3d h LEU 91 Ca 0.09 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 2k3d h LEU 91 Cb 0.62 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2k3d h LEU 91 CO 0.04 0.96 -0.17 -0.08 0.09 0.00 0.00 178.44 179.28 2k3d h GLU 92 N 1.08 0.81 -0.45 1.13 4.81 -1.21 -2.62 114.58 118.14 2k3d h GLU 92 Ca 0.24 -0.35 -0.13 0.00 -0.13 0.00 0.00 59.36 59.00 2k3d h GLU 92 Cb 0.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2k3d h GLU 92 CO -0.01 0.97 -0.22 0.45 -0.73 0.00 0.00 179.01 179.47 2k3d h HIS 93 N 0.62 1.04 -0.64 0.92 3.86 -1.17 -3.06 115.15 116.73 2k3d h HIS 93 Ca 0.09 -0.25 0.00 0.00 -1.16 0.00 0.00 60.37 59.05 2k3d h HIS 93 Cb 0.72 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.91 2k3d h HIS 93 CO 0.06 1.04 0.40 1.25 0.86 0.00 0.00 177.93 181.53 2k3d h HIS 94 N 0.79 0.83 0.00 2.45 -0.00 -0.76 -3.46 115.15 115.00 2k3d h HIS 94 Ca 0.10 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.48 2k3d h HIS 94 Cb 0.77 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 2k3d h HIS 94 CO 0.05 0.55 0.00 0.72 -0.00 0.00 0.00 177.93 179.24 2k3d n HIS 95 N -4.61 0.00 -0.27 5.26 8.25 -1.00 -5.10 115.22 117.75 2k3d n HIS 95 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2k3d n HIS 95 Cb 0.04 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2k3d n HIS 95 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2k3d n HIS 96 N -0.92 0.00 -3.69 4.41 -0.00 -1.20 -4.86 115.22 108.96 2k3d n HIS 96 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2k3d n HIS 96 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 29.92 2k3d n HIS 96 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k3d s HIS 97 N -0.16 -0.26 0.00 -1.40 -3.43 -1.26 -3.57 115.29 105.21 2k3d s HIS 97 Ca 0.00 0.28 0.00 0.00 -0.80 0.00 0.00 55.06 54.54 2k3d s HIS 97 Cb 0.00 0.19 0.00 0.00 -1.43 0.00 0.00 32.58 31.34 2k3d s HIS 97 CO 0.00 -0.52 0.00 1.58 -2.00 0.00 0.00 174.74 173.80