#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 0.60 -0.72 0.00 -1.00 -2.06 -2.18 116.94 111.58 2k3d h PHE 13 Ca 0.00 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.66 2k3d h PHE 13 Cb 0.00 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.36 2k3d h PHE 13 CO 0.00 0.60 0.26 0.74 -1.61 0.00 0.00 178.31 178.30 2k3d h PHE 14 N 0.42 1.14 -0.74 -0.55 -1.00 -2.05 -2.31 116.94 111.85 2k3d h PHE 14 Ca 0.11 -0.10 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 2k3d h PHE 14 Cb 0.30 -0.33 -0.03 0.00 3.61 0.00 0.00 35.95 39.50 2k3d h PHE 14 CO 0.02 0.89 0.34 -0.91 -1.61 0.00 0.00 178.31 177.04 2k3d h ASN 15 N 1.06 0.99 -0.66 2.17 2.35 -1.97 -1.89 115.58 117.63 2k3d h ASN 15 Ca 0.24 -0.15 -0.09 0.00 -0.55 0.00 0.00 56.30 55.76 2k3d h ASN 15 Cb 0.26 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 2k3d h ASN 15 CO -0.01 0.86 0.08 -0.33 -1.65 0.00 0.00 177.43 176.38 2k3d h GLU 16 N 1.05 1.12 -0.69 0.81 4.39 -1.13 -2.44 114.58 117.69 2k3d h GLU 16 Ca 0.25 -0.31 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 2k3d h GLU 16 Cb 0.15 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 2k3d h GLU 16 CO -0.03 1.03 0.14 1.96 -1.16 0.00 0.00 179.01 180.96 2k3d h GLN 17 N 1.04 1.13 -0.69 2.33 1.08 -1.11 -2.36 115.11 116.53 2k3d h GLN 17 Ca 0.20 -0.29 -0.06 0.00 -1.45 0.00 0.00 58.65 57.06 2k3d h GLN 17 Cb 0.48 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 2k3d h GLN 17 CO 0.02 1.01 0.22 0.87 -0.95 0.00 0.00 178.83 180.00 2k3d h LYS 18 N 1.06 1.07 -0.64 1.46 1.57 -1.15 -2.25 116.57 117.69 2k3d h LYS 18 Ca 0.21 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.68 2k3d h LYS 18 Cb 0.41 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2k3d h LYS 18 CO 0.01 0.93 0.07 1.49 -0.57 0.00 0.00 179.45 181.37 2k3d h GLU 19 N 1.01 1.09 -0.63 3.15 4.22 -1.22 -1.55 114.58 120.64 2k3d h GLU 19 Ca 0.22 -0.31 -0.04 0.00 0.08 0.00 0.00 59.36 59.31 2k3d h GLU 19 Cb 0.30 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2k3d h GLU 19 CO -0.01 1.02 0.25 0.87 -2.18 0.00 0.00 179.01 178.96 2k3d h LYS 20 N 1.00 0.94 -0.48 1.92 1.57 -1.21 -1.90 116.57 118.42 2k3d h LYS 20 Ca 0.19 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2k3d h LYS 20 Cb 0.49 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.63 2k3d h LYS 20 CO 0.02 0.80 0.12 0.28 -0.57 0.00 0.00 179.45 180.10 2k3d h VAL 21 N 0.88 1.24 -0.49 0.50 2.07 -1.18 -2.31 116.25 116.96 2k3d h VAL 21 Ca 0.21 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2k3d h VAL 21 Cb 0.21 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 2k3d h VAL 21 CO -0.02 0.30 0.27 0.74 0.02 0.00 0.00 177.57 178.88 2k3d h THR 22 N 0.65 1.17 -0.48 2.57 2.02 -1.04 -1.50 112.91 116.31 2k3d h THR 22 Ca 0.15 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.88 2k3d h THR 22 Cb 0.32 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 2k3d h THR 22 CO 0.00 0.18 0.20 0.25 0.37 0.00 0.00 175.52 176.52 2k3d h LEU 23 N 0.65 0.65 -0.41 2.58 5.85 -1.23 -1.18 115.31 122.23 2k3d h LEU 23 Ca 0.17 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2k3d h LEU 23 Cb 0.05 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 2k3d h LEU 23 CO -0.03 0.63 0.18 0.22 -0.34 0.00 0.00 178.44 179.11 2k3d h TYR 24 N 0.63 0.60 -0.73 1.25 3.20 -1.20 -2.66 116.97 118.07 2k3d h TYR 24 Ca 0.16 -0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 2k3d h TYR 24 Cb 0.17 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 2k3d h TYR 24 CO 0.00 0.51 0.22 -0.07 -1.64 0.00 0.00 178.16 177.19 2k3d h LEU 25 N 0.52 1.06 -0.53 2.82 3.38 -1.12 -2.33 115.31 119.11 2k3d h LEU 25 Ca 0.14 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2k3d h LEU 25 Cb 0.15 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2k3d h LEU 25 CO -0.01 0.99 0.32 0.50 0.09 0.00 0.00 178.44 180.33 2k3d h LYS 26 N 1.08 0.63 -0.35 1.13 3.64 -0.97 1.01 116.57 122.74 2k3d h LYS 26 Ca 0.23 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 2k3d h LYS 26 Cb 0.31 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 2k3d h LYS 26 CO -0.01 0.41 -0.27 0.45 -2.27 0.00 0.00 179.45 177.76 2k3d h HIS 27 N 0.64 0.84 -0.01 1.91 3.86 -1.32 -2.59 115.15 118.49 2k3d h HIS 27 Ca 0.21 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2k3d h HIS 27 Cb 0.01 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.28 2k3d h HIS 27 CO -0.06 0.92 -0.21 0.09 0.86 0.00 0.00 177.93 179.53 2k3d n ASN 28 N -4.09 0.73 -3.57 2.45 5.03 -0.89 -4.61 115.26 110.31 2k3d n ASN 28 Ca -0.00 -0.68 -0.29 0.00 0.87 0.00 0.00 54.58 54.48 2k3d n ASN 28 Cb 0.46 0.04 -0.15 0.00 -1.02 0.00 0.00 39.78 39.11 2k3d n ASN 28 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2k3d s ILE 29 N -2.54 0.15 -0.51 2.41 1.01 0.35 -2.08 121.20 119.99 2k3d s ILE 29 Ca 0.25 -0.99 0.24 0.00 0.00 0.00 0.00 60.65 60.15 2k3d s ILE 29 Cb 0.19 -1.14 0.26 0.00 0.01 0.00 0.00 42.46 41.78 2k3d s ILE 29 CO 0.51 -0.74 1.73 -0.81 0.00 0.00 0.00 174.94 175.62 2k3d n PRO 30 N 5.04 0.21 -0.10 2.79 -0.04 -1.24 -2.24 135.00 139.43 2k3d n PRO 30 Ca -0.03 0.40 0.10 0.00 -0.04 0.00 0.00 63.50 63.93 2k3d n PRO 30 Cb 0.41 -1.87 0.34 0.00 -0.04 0.00 0.00 33.50 32.35 2k3d n PRO 30 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2k3d n ASP 31 N -2.26 1.89 -4.66 3.54 8.00 -1.26 -4.93 116.55 116.87 2k3d n ASP 31 Ca 0.03 -1.76 -0.47 0.00 0.71 0.00 0.00 54.79 53.30 2k3d n ASP 31 Cb 0.26 -0.13 -0.04 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.47 2.21 0.05 1.24 -0.00 -0.95 -4.85 117.46 115.63 2k3d n PHE 32 Ca 0.16 0.29 0.00 0.00 -0.00 0.00 0.00 57.45 57.90 2k3d n PHE 32 Cb 0.36 -2.53 0.00 0.00 -0.00 0.00 0.00 39.48 37.31 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 0.47 -3.86 -2.13 5.15 -1.26 -5.09 115.26 111.99 2k3d n ASN 33 Ca 0.17 0.15 -0.10 0.00 -0.60 0.00 0.00 54.58 54.20 2k3d n ASN 33 Cb 0.28 -0.08 -0.08 0.00 -0.53 0.00 0.00 39.78 39.37 2k3d n ASN 33 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 2k3d s THR 34 N -2.00 0.12 -0.00 -0.44 -1.32 -1.26 -5.00 115.64 105.74 2k3d s THR 34 Ca 0.00 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.48 2k3d s THR 34 Cb 0.00 -1.05 -0.00 0.00 -1.51 0.00 0.00 72.50 69.94 2k3d s THR 34 CO 0.00 -0.56 -0.02 0.54 -2.21 0.00 0.00 174.62 172.38 2k3d s VAL 35 N -2.98 0.12 -0.09 5.08 0.11 -1.26 -2.28 120.40 119.09 2k3d s VAL 35 Ca -0.02 -0.09 0.03 0.00 -2.93 0.00 0.00 61.98 58.97 2k3d s VAL 35 Cb 0.01 -0.11 0.01 0.00 -1.53 0.00 0.00 36.38 34.76 2k3d s VAL 35 CO -0.06 0.02 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.67 2k3d s THR 36 N -0.07 1.56 -0.23 5.04 2.01 -0.48 -4.98 115.64 118.49 2k3d s THR 36 Ca 0.00 -0.71 -0.13 0.00 0.31 0.00 0.00 61.69 61.17 2k3d s THR 36 Cb -0.01 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 2k3d s THR 36 CO -0.00 0.45 0.25 -0.36 -0.69 0.00 0.00 174.62 174.27 2k3d s PHE 37 N 0.69 3.33 -0.50 4.92 0.08 -1.26 -1.71 117.98 123.53 2k3d s PHE 37 Ca -0.13 0.37 0.22 0.00 0.12 0.00 0.00 56.93 57.51 2k3d s PHE 37 Cb -0.16 -2.37 -0.27 0.00 -0.57 0.00 0.00 43.02 39.65 2k3d s PHE 37 CO 0.03 0.03 0.70 0.25 -0.10 0.00 0.00 175.22 176.13 2k3d n THR 38 N 4.34 0.01 -1.58 0.64 -2.24 0.16 -4.95 114.28 110.66 2k3d n THR 38 Ca -0.12 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 2k3d n THR 38 Cb 0.52 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.21 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 -1.90 -8.00 -0.41 3.42 3.02 -0.97 -4.89 115.26 105.53 2k3d n ASN 39 Ca -0.00 1.67 0.00 0.00 -0.03 0.00 0.00 54.58 56.22 2k3d n ASN 39 Cb 0.45 -4.93 0.00 0.00 -0.61 0.00 0.00 39.78 34.69 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 -2.30 0.09 0.00 3.52 -0.58 -0.92 -4.68 120.64 115.77 2k3d n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2k3d n GLU 40 Cb 0.38 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.25 2k3d n GLU 40 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2k3d n GLU 41 N 0.00 0.78 -4.32 3.49 1.02 -1.26 -4.58 120.64 115.77 2k3d n GLU 41 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 2k3d n GLU 41 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.31 2k3d n GLU 41 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 2k3d s PHE 42 N -0.08 3.08 0.34 -0.32 -0.71 -1.26 -2.08 117.98 116.96 2k3d s PHE 42 Ca 0.00 -0.18 -0.06 0.00 -1.04 0.00 0.00 56.93 55.65 2k3d s PHE 42 Cb 0.00 -1.97 -0.05 0.00 -1.21 0.00 0.00 43.02 39.79 2k3d s PHE 42 CO 0.00 0.04 0.63 -0.80 -1.34 0.00 0.00 175.22 173.75 2k3d s ASN 43 N 0.28 6.44 0.38 1.98 0.01 -1.04 -4.77 114.94 118.21 2k3d s ASN 43 Ca -0.02 0.82 0.16 0.00 -0.71 0.00 0.00 52.86 53.11 2k3d s ASN 43 Cb -0.14 -2.19 1.03 0.00 0.41 0.00 0.00 41.25 40.36 2k3d s ASN 43 CO 0.02 -0.29 1.78 -0.65 -1.51 0.00 0.00 177.10 176.45 2k3d h PRO 44 N 1.36 0.45 -0.41 -0.60 0.11 -1.99 0.12 132.00 131.04 2k3d h PRO 44 Ca -0.48 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 2k3d h PRO 44 Cb 1.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2k3d h PRO 44 CO 0.65 0.30 -0.26 0.97 -0.21 0.00 0.00 178.00 179.44 2k3d h ILE 45 N 0.46 1.27 0.00 4.15 2.10 -1.96 -3.48 117.51 120.05 2k3d h ILE 45 Ca 0.58 -1.41 0.00 0.00 1.08 0.00 0.00 64.86 65.11 2k3d h ILE 45 Cb 1.35 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 38.32 2k3d h ILE 45 CO -0.31 0.47 0.00 0.61 -1.08 0.00 0.00 178.15 177.85 2k3d n GLY 46 N -0.11 -1.81 3.37 8.18 0.00 0.42 -4.97 105.19 110.26 2k3d n GLY 46 Ca -0.00 0.79 -0.29 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 2.18 -0.24 -0.61 -4.36 -1.26 -2.50 121.20 114.40 2k3d s ILE 47 Ca 0.00 -1.66 -0.10 0.00 -0.26 0.00 0.00 60.65 58.63 2k3d s ILE 47 Cb 0.00 -1.92 -0.05 0.00 1.25 0.00 0.00 42.46 41.74 2k3d s ILE 47 CO 0.00 0.13 0.16 -0.55 0.24 0.00 0.00 174.94 174.92 2k3d s SER 48 N -1.87 6.08 -0.12 4.36 0.15 -0.88 -1.14 113.70 120.27 2k3d s SER 48 Ca 0.13 0.10 0.01 0.00 0.70 0.00 0.00 55.95 56.89 2k3d s SER 48 Cb -0.10 -2.10 -0.01 0.00 -1.71 0.00 0.00 66.02 62.10 2k3d s SER 48 CO 0.05 0.07 -0.16 -0.63 1.20 0.00 0.00 173.24 173.76 2k3d s ILE 49 N 1.05 2.72 0.09 6.45 1.01 -0.38 -2.17 121.20 129.97 2k3d s ILE 49 Ca 0.07 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 60.00 2k3d s ILE 49 Cb -0.14 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 2k3d s ILE 49 CO 0.04 0.53 -0.13 -0.62 0.00 0.00 0.00 174.94 174.76 2k3d s ASP 50 N 0.40 1.73 0.01 3.58 2.15 -1.26 -0.74 116.67 122.54 2k3d s ASP 50 Ca -0.13 -0.70 -0.20 0.00 0.43 0.00 0.00 52.55 51.95 2k3d s ASP 50 Cb -0.16 -0.05 0.07 0.00 -0.30 0.00 0.00 42.92 42.48 2k3d s ASP 50 CO 0.06 -0.12 0.92 0.61 -0.17 0.00 0.00 175.17 176.47 2k3d n GLY 51 N 0.96 0.40 3.20 2.66 0.00 -0.93 0.39 105.19 111.88 2k3d n GLY 51 Ca -0.19 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.43 0.48 0.28 1.61 -0.85 -0.69 -1.13 117.35 114.62 2k3d s TYR 52 Ca 0.21 -0.91 0.10 0.00 -0.52 0.00 0.00 57.07 55.96 2k3d s TYR 52 Cb -0.01 -0.24 -0.05 0.00 0.38 0.00 0.00 41.96 42.04 2k3d s TYR 52 CO 0.00 -0.55 -0.16 0.96 -1.52 0.00 0.00 175.55 174.29 2k3d s ILE 53 N -3.95 2.25 -1.49 -3.49 -4.36 -0.97 -1.38 121.20 107.80 2k3d s ILE 53 Ca 0.14 -2.31 -0.03 0.00 -0.26 0.00 0.00 60.65 58.18 2k3d s ILE 53 Cb 0.06 -2.35 0.01 0.00 1.25 0.00 0.00 42.46 41.43 2k3d s ILE 53 CO -0.05 -0.38 0.29 0.59 0.24 0.00 0.00 174.94 175.63 2k3d n ASN 54 N -0.62 -5.30 -2.87 4.36 3.02 -0.97 -1.45 115.26 111.44 2k3d n ASN 54 Ca -0.05 -0.12 -0.14 0.00 -0.03 0.00 0.00 54.58 54.23 2k3d n ASN 54 Cb 0.61 -4.37 -0.01 0.00 -0.61 0.00 0.00 39.78 35.41 2k3d n ASN 54 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2k3d n ASN 55 N -2.20 -2.80 -4.21 6.41 5.03 -1.26 -4.89 115.26 111.34 2k3d n ASN 55 Ca -0.15 0.02 -0.36 0.00 0.87 0.00 0.00 54.58 54.96 2k3d n ASN 55 Cb 0.63 -2.41 -0.13 0.00 -1.02 0.00 0.00 39.78 36.85 2k3d n ASN 55 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2k3d s ASP 56 N -2.31 4.91 0.47 6.41 1.01 -0.53 -4.97 116.67 121.68 2k3d s ASP 56 Ca 0.17 -1.12 0.12 0.00 0.71 0.00 0.00 52.55 52.43 2k3d s ASP 56 Cb -0.10 -1.75 1.10 0.00 1.01 0.00 0.00 42.92 43.18 2k3d s ASP 56 CO 0.21 -0.25 2.11 0.11 0.21 0.00 0.00 175.17 177.56 2k3d h LYS 57 N 8.07 0.23 -0.80 8.23 1.57 -1.90 -1.29 116.57 130.68 2k3d h LYS 57 Ca -0.24 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 2k3d h LYS 57 Cb 1.08 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 2k3d h LYS 57 CO 0.56 0.15 0.41 -0.91 -0.57 0.00 0.00 179.45 179.09 2k3d h ASN 58 N 0.24 1.02 -0.77 0.86 2.35 -1.94 -3.24 115.58 114.10 2k3d h ASN 58 Ca 0.07 -0.11 -0.72 0.00 -0.55 0.00 0.00 56.30 55.00 2k3d h ASN 58 Cb 0.01 -0.26 -0.09 0.00 0.05 0.00 0.00 38.32 38.03 2k3d h ASN 58 CO -0.02 0.85 2.47 0.18 -1.65 0.00 0.00 177.43 179.26 2k3d n LEU 59 N -4.33 6.25 -4.84 1.61 4.77 -0.49 -4.74 117.00 115.24 2k3d n LEU 59 Ca 0.08 -4.26 -0.22 0.00 -0.03 0.00 0.00 56.01 51.58 2k3d n LEU 59 Cb 0.12 -1.63 -0.04 0.00 -2.33 0.00 0.00 43.42 39.55 2k3d n LEU 59 CO 0.39 0.95 -0.15 -0.44 -1.33 0.00 0.00 177.39 176.80 2k3d s SER 60 N 2.76 5.63 -0.01 -1.43 0.01 -1.23 -2.30 113.70 117.13 2k3d s SER 60 Ca 0.46 -0.20 -0.12 0.00 1.31 0.00 0.00 55.95 57.40 2k3d s SER 60 Cb 0.09 -1.47 0.02 0.00 0.21 0.00 0.00 66.02 64.87 2k3d s SER 60 CO -0.02 -0.04 0.26 0.72 0.41 0.00 0.00 173.24 174.57 2k3d s PHE 61 N -2.09 -0.12 -0.06 2.43 -0.12 -0.28 -3.50 117.98 114.24 2k3d s PHE 61 Ca 0.33 0.18 0.03 0.00 -0.05 0.00 0.00 56.93 57.42 2k3d s PHE 61 Cb -0.08 0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.37 2k3d s PHE 61 CO 0.25 -0.34 -0.14 0.99 -0.05 0.00 0.00 175.22 175.94 2k3d s THR 62 N -1.25 1.20 -0.01 -4.49 2.01 -0.28 -2.18 115.64 110.65 2k3d s THR 62 Ca -0.13 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.36 2k3d s THR 62 Cb -0.06 -1.08 -0.01 0.00 0.01 0.00 0.00 72.50 71.37 2k3d s THR 62 CO 0.03 0.36 -0.11 0.00 -0.69 0.00 0.00 174.62 174.22 2k3d s ALA 63 N 0.45 0.88 -0.38 7.40 0.00 0.08 0.07 121.76 130.26 2k3d s ALA 63 Ca -0.11 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.25 2k3d s ALA 63 Cb -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.76 2k3d s ALA 63 CO 0.03 0.22 0.28 0.20 0.00 0.00 0.00 175.76 176.49 2k3d s GLY 64 N -0.25 1.98 0.00 0.00 0.00 -1.10 -1.25 107.32 106.70 2k3d s GLY 64 Ca 0.04 -1.55 0.00 0.00 0.00 0.00 0.00 44.72 43.21 2k3d s GLY 64 CO -0.00 0.87 0.00 1.17 0.00 0.00 0.00 173.10 175.13 2k3d n LYS 65 N 5.16 0.00 -2.60 2.90 4.81 -0.30 -4.33 118.16 123.81 2k3d n LYS 65 Ca -0.11 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.90 2k3d n LYS 65 Cb 0.48 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.51 2k3d n LYS 65 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2k3d s ASP 66 N -3.57 7.17 0.00 3.14 1.01 -1.26 -4.86 116.67 118.29 2k3d s ASP 66 Ca 0.00 1.64 0.01 0.00 0.71 0.00 0.00 52.55 54.90 2k3d s ASP 66 Cb 0.00 -2.56 0.04 0.00 1.01 0.00 0.00 42.92 41.41 2k3d s ASP 66 CO 0.00 -0.51 0.53 0.52 0.21 0.00 0.00 175.17 175.92 2k3d n VAL 67 N 4.60 0.00 -0.24 -1.27 0.31 -1.26 -2.28 118.33 118.18 2k3d n VAL 67 Ca 0.10 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.37 2k3d n VAL 67 Cb 0.48 -0.99 0.04 0.00 -0.91 0.00 0.00 33.84 32.46 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 0.00 0.94 -4.88 5.55 3.64 -1.89 -3.39 116.57 116.54 2k3d h LYS 68 Ca 0.00 -0.11 -0.67 0.00 -1.27 0.00 0.00 60.65 58.59 2k3d h LYS 68 Cb 0.00 -0.18 -0.34 0.00 -0.41 0.00 0.00 32.23 31.30 2k3d h LYS 68 CO 0.00 0.71 -0.76 0.42 -2.27 0.00 0.00 179.45 177.55 2k3d s ILE 69 N -5.82 2.63 0.05 2.00 1.01 -0.97 -5.03 121.20 115.07 2k3d s ILE 69 Ca -0.13 -1.28 -0.02 0.00 0.00 0.00 0.00 60.65 59.22 2k3d s ILE 69 Cb 0.14 -2.42 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2k3d s ILE 69 CO 0.79 0.09 0.01 0.72 0.00 0.00 0.00 174.94 176.55 2k3d s PHE 70 N 1.24 0.41 0.17 3.97 -0.12 -1.26 -2.72 117.98 119.66 2k3d s PHE 70 Ca -0.03 -0.89 0.08 0.00 -0.05 0.00 0.00 56.93 56.04 2k3d s PHE 70 Cb -0.18 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.87 2k3d s PHE 70 CO -0.05 -0.38 -0.17 0.45 -0.05 0.00 0.00 175.22 175.02 2k3d s SER 71 N -2.69 2.63 0.13 1.98 0.15 0.11 -5.00 113.70 111.01 2k3d s SER 71 Ca 0.03 -0.88 -0.12 0.00 0.70 0.00 0.00 55.95 55.68 2k3d s SER 71 Cb 0.05 -0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.22 2k3d s SER 71 CO -0.09 -0.06 0.32 -0.94 1.20 0.00 0.00 173.24 173.67 2k3d s SER 72 N -2.75 -0.05 0.88 5.45 1.04 -1.26 -1.13 113.70 115.88 2k3d s SER 72 Ca 0.16 -0.60 -0.13 0.00 0.48 0.00 0.00 55.95 55.87 2k3d s SER 72 Cb -0.05 0.44 0.12 0.00 0.10 0.00 0.00 66.02 66.63 2k3d s SER 72 CO 0.06 -0.85 1.17 -0.94 0.98 0.00 0.00 173.24 173.66 2k3d s SER 73 N -2.88 3.83 0.23 7.02 1.04 -1.23 -4.79 113.70 116.92 2k3d s SER 73 Ca 0.08 0.82 -0.04 0.00 0.48 0.00 0.00 55.95 57.29 2k3d s SER 73 Cb 0.03 -1.31 0.23 0.00 0.10 0.00 0.00 66.02 65.06 2k3d s SER 73 CO -0.07 -2.34 1.70 -0.33 0.98 0.00 0.00 173.24 173.18 2k3d h GLU 74 N -1.35 0.87 -0.69 4.02 3.07 -1.95 0.33 114.58 118.87 2k3d h GLU 74 Ca -0.48 -0.27 -0.08 0.00 -0.50 0.00 0.00 59.36 58.03 2k3d h GLU 74 Cb 1.32 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 29.12 2k3d h GLU 74 CO 0.61 0.90 0.13 0.93 -1.40 0.00 0.00 179.01 180.18 2k3d h GLU 75 N 0.79 1.13 0.00 2.33 4.39 -1.93 -2.50 114.58 118.79 2k3d h GLU 75 Ca 0.14 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 2k3d h GLU 75 Cb 0.55 -0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2k3d h GLU 75 CO 0.03 1.02 -0.39 1.25 -1.16 0.00 0.00 179.01 179.76 2k3d h LEU 76 N 1.06 0.00 -0.11 1.33 5.85 -1.79 -3.32 115.31 118.32 2k3d h LEU 76 Ca 0.21 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 2k3d h LEU 76 Cb 0.42 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 2k3d h LEU 76 CO 0.01 0.14 -0.02 -0.78 -0.34 0.00 0.00 178.44 177.45 2k3d h ASP 77 N 0.00 0.21 0.41 1.25 1.82 0.08 -2.90 116.42 117.29 2k3d h ASP 77 Ca -0.01 -0.34 -0.01 0.00 -0.39 0.00 0.00 57.03 56.27 2k3d h ASP 77 Cb 1.12 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.07 2k3d h ASP 77 CO 0.02 0.51 -0.06 0.07 -1.61 0.00 0.00 179.24 178.16 2k3d h LYS 78 N -0.09 0.00 -0.25 0.28 2.10 -1.59 -2.17 116.57 114.86 2k3d h LYS 78 Ca 0.03 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.62 2k3d h LYS 78 Cb 0.41 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.72 2k3d h LYS 78 CO 0.01 0.06 -0.13 0.52 -2.00 0.00 0.00 179.45 177.91 2k3d h MET 79 N 0.00 0.41 -6.67 0.07 2.86 -1.61 -3.44 114.93 106.56 2k3d h MET 79 Ca -0.00 -0.11 -0.58 0.00 -2.06 0.00 0.00 59.70 56.95 2k3d h MET 79 Cb 0.28 -0.05 0.12 0.00 0.06 0.00 0.00 31.60 32.01 2k3d h MET 79 CO 0.01 0.55 0.31 1.19 1.06 0.00 0.00 176.91 180.03 2k3d n PHE 80 N -4.22 1.68 0.00 -0.22 3.01 -0.82 -4.80 117.46 112.09 2k3d n PHE 80 Ca 0.00 0.58 0.00 0.00 1.01 0.00 0.00 57.45 59.04 2k3d n PHE 80 Cb 0.31 -2.31 0.00 0.00 -0.01 0.00 0.00 39.48 37.47 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 0.36 0.00 -3.94 -1.08 7.27 -0.89 -4.97 117.38 114.14 2k3d n GLN 81 Ca 0.08 0.15 -0.26 0.00 0.07 0.00 0.00 57.00 57.03 2k3d n GLN 81 Cb 0.37 -0.57 -0.03 0.00 2.41 0.00 0.00 30.24 32.41 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 2k3d s GLU 82 N -0.42 3.44 0.97 3.69 2.02 -1.26 -5.08 118.70 122.06 2k3d s GLU 82 Ca 0.00 -0.58 -0.25 0.00 0.02 0.00 0.00 54.97 54.16 2k3d s GLU 82 Cb 0.00 -2.97 -0.16 0.00 0.10 0.00 0.00 34.13 31.10 2k3d s GLU 82 CO 0.00 0.53 -1.32 -2.30 0.02 0.00 0.00 175.26 172.18 2k3d n PRO 83 N -0.49 -0.14 -1.97 0.39 -0.02 -1.26 -4.78 135.00 126.73 2k3d n PRO 83 Ca -0.07 -0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 60.95 2k3d n PRO 83 Cb 0.54 -1.05 -0.03 0.00 -0.02 0.00 0.00 33.50 32.94 2k3d n PRO 83 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2k3d s ARG 84 N -2.11 4.23 0.00 -0.52 0.52 -1.26 -4.94 118.95 114.88 2k3d s ARG 84 Ca 0.35 2.32 0.00 0.00 -0.52 0.00 0.00 55.73 57.88 2k3d s ARG 84 Cb 0.08 -3.15 0.00 0.00 0.52 0.00 0.00 34.95 32.40 2k3d s ARG 84 CO 0.61 -0.56 0.00 1.63 0.02 0.00 0.00 175.30 177.00 2k3d n LYS 85 N 3.66 0.00 0.00 3.54 4.76 -1.26 -5.15 118.16 123.70 2k3d n LYS 85 Ca 0.12 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.56 2k3d n LYS 85 Cb 0.39 -0.05 0.00 0.00 -1.84 0.00 0.00 35.03 33.53 2k3d n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k3d n GLY 86 N 3.03 4.32 0.20 0.72 0.00 -1.26 -4.80 105.19 107.41 2k3d n GLY 86 Ca 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.16 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 0.62 0.00 1.61 3.20 -1.96 -1.31 116.97 119.13 2k3d h TYR 87 Ca 0.00 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.79 2k3d h TYR 87 Cb 0.00 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2k3d h TYR 87 CO 0.00 0.41 -0.40 -0.44 -1.64 0.00 0.00 178.16 176.09 2k3d h ASP 88 N 0.65 0.00 -0.29 -2.11 3.32 -1.98 -2.77 116.42 113.24 2k3d h ASP 88 Ca 0.17 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.12 2k3d h ASP 88 Cb -0.04 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 2k3d h ASP 88 CO -0.04 0.40 -0.22 -0.08 -1.72 0.00 0.00 179.24 177.59 2k3d h GLU 89 N 0.00 0.66 -0.34 3.56 4.81 -1.64 -2.56 114.58 119.07 2k3d h GLU 89 Ca -0.00 -0.32 -0.12 0.00 -0.13 0.00 0.00 59.36 58.78 2k3d h GLU 89 Cb 0.89 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.26 2k3d h GLU 89 CO 0.05 0.92 -0.28 -0.84 -0.73 0.00 0.00 179.01 178.13 2k3d h ILE 90 N 0.40 1.28 -0.65 2.32 3.07 -1.22 -1.94 117.51 120.77 2k3d h ILE 90 Ca 0.05 -1.40 -0.03 0.00 1.55 0.00 0.00 64.86 65.03 2k3d h ILE 90 Cb 0.76 1.32 -0.03 0.00 -0.27 0.00 0.00 36.82 38.61 2k3d h ILE 90 CO 0.06 0.46 0.28 -0.07 -1.05 0.00 0.00 178.15 177.83 2k3d h LEU 91 N 0.61 0.88 -0.62 0.16 3.38 -1.43 -2.56 115.31 115.73 2k3d h LEU 91 Ca 0.08 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2k3d h LEU 91 Cb 0.79 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 2k3d h LEU 91 CO 0.06 0.79 -0.23 -0.33 0.09 0.00 0.00 178.44 178.82 2k3d h GLU 92 N 0.91 0.84 -6.47 1.13 5.08 -1.33 -3.42 114.58 111.32 2k3d h GLU 92 Ca 0.22 -0.35 -0.53 0.00 -1.00 0.00 0.00 59.36 57.69 2k3d h GLU 92 Cb 0.17 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2k3d h GLU 92 CO -0.02 0.99 0.46 -1.58 -1.00 0.00 0.00 179.01 177.86 2k3d s HIS 93 N -4.60 3.56 -0.07 4.33 2.46 -0.74 -5.03 115.29 115.20 2k3d s HIS 93 Ca -0.10 1.51 0.02 0.00 0.47 0.00 0.00 55.06 56.96 2k3d s HIS 93 Cb 0.13 -3.27 -0.03 0.00 -0.13 0.00 0.00 32.58 29.28 2k3d s HIS 93 CO 0.85 -0.63 -0.10 -1.01 -2.47 0.00 0.00 174.74 171.39 2k3d s HIS 94 N 0.91 2.85 -0.89 3.88 3.76 -1.26 -4.86 115.29 119.68 2k3d s HIS 94 Ca 0.55 -0.08 0.27 0.00 -0.15 0.00 0.00 55.06 55.64 2k3d s HIS 94 Cb -0.26 -1.70 0.91 0.00 1.11 0.00 0.00 32.58 32.64 2k3d s HIS 94 CO 0.29 0.24 1.74 -2.39 -0.85 0.00 0.00 174.74 173.77 2k3d n HIS 95 N 2.36 0.31 -2.53 1.40 1.44 -1.26 -4.84 115.22 112.10 2k3d n HIS 95 Ca -0.18 0.09 -0.38 0.00 -2.01 0.00 0.00 57.72 55.24 2k3d n HIS 95 Cb 0.53 -0.59 -0.04 0.00 0.12 0.00 0.00 29.99 30.00 2k3d n HIS 95 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2k3d s HIS 96 N -3.05 3.44 0.18 -1.40 3.76 -1.26 -5.04 115.29 111.92 2k3d s HIS 96 Ca 0.12 1.68 -0.16 0.00 -0.15 0.00 0.00 55.06 56.56 2k3d s HIS 96 Cb 0.16 -3.18 0.02 0.00 1.11 0.00 0.00 32.58 30.69 2k3d s HIS 96 CO 0.60 -0.53 0.45 -3.38 -0.85 0.00 0.00 174.74 171.03 2k3d s HIS 97 N -1.42 -0.04 -2.00 1.40 -3.43 -1.26 -5.24 115.29 103.30 2k3d s HIS 97 Ca 0.51 -0.31 0.21 0.00 -0.80 0.00 0.00 55.06 54.68 2k3d s HIS 97 Cb -0.26 0.28 1.28 0.00 -1.43 0.00 0.00 32.58 32.45 2k3d s HIS 97 CO 0.33 -0.84 1.66 -2.39 -2.00 0.00 0.00 174.74 171.51