#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 0.43 -0.53 0.00 3.57 -2.05 0.85 116.94 119.21 2k3d h PHE 13 Ca 0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 2k3d h PHE 13 Cb 0.00 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 2k3d h PHE 13 CO 0.00 0.28 0.22 0.74 -2.23 0.00 0.00 178.31 177.32 2k3d h PHE 14 N 0.46 0.80 -0.57 0.41 0.04 -2.06 -0.91 116.94 115.12 2k3d h PHE 14 Ca 0.13 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.79 2k3d h PHE 14 Cb -0.05 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 2k3d h PHE 14 CO -0.05 0.65 0.16 -0.97 -0.60 0.00 0.00 178.31 177.50 2k3d h ASN 15 N 0.72 0.85 -0.39 2.17 -1.24 -1.93 -2.57 115.58 113.18 2k3d h ASN 15 Ca 0.18 -0.22 -0.10 0.00 0.71 0.00 0.00 56.30 56.87 2k3d h ASN 15 Cb 0.18 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 2k3d h ASN 15 CO -0.02 0.85 -0.12 -0.33 -1.29 0.00 0.00 177.43 176.52 2k3d h GLU 16 N 0.81 0.84 -0.61 6.67 5.08 -0.60 -2.58 114.58 124.20 2k3d h GLU 16 Ca 0.18 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2k3d h GLU 16 Cb 0.31 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.47 2k3d h GLU 16 CO -0.00 0.92 0.26 0.37 -1.00 0.00 0.00 179.01 179.56 2k3d h GLN 17 N 0.76 0.90 -0.75 2.33 5.75 -0.95 -1.79 115.11 121.36 2k3d h GLN 17 Ca 0.12 -0.15 -0.05 0.00 -0.15 0.00 0.00 58.65 58.42 2k3d h GLN 17 Cb 0.62 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 2k3d h GLN 17 CO 0.04 0.75 0.26 0.87 -2.65 0.00 0.00 178.83 178.10 2k3d h LYS 18 N 0.84 1.14 -0.67 1.69 1.57 -1.32 -2.60 116.57 117.22 2k3d h LYS 18 Ca 0.21 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2k3d h LYS 18 Cb 0.17 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 2k3d h LYS 18 CO -0.02 0.96 0.26 0.93 -0.57 0.00 0.00 179.45 181.00 2k3d h GLU 19 N 1.09 1.02 -0.73 3.15 4.39 -1.09 -2.02 114.58 120.39 2k3d h GLU 19 Ca 0.24 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.74 2k3d h GLU 19 Cb 0.27 -0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 2k3d h GLU 19 CO -0.01 0.86 0.41 0.87 -1.16 0.00 0.00 179.01 179.98 2k3d h LYS 20 N 0.96 1.01 -0.63 2.33 1.57 -1.05 -1.94 116.57 118.83 2k3d h LYS 20 Ca 0.22 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2k3d h LYS 20 Cb 0.23 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 2k3d h LYS 20 CO -0.02 0.75 0.12 0.28 -0.57 0.00 0.00 179.45 180.01 2k3d h VAL 21 N 1.01 1.26 -0.67 0.50 2.07 -1.22 -2.33 116.25 116.86 2k3d h VAL 21 Ca 0.26 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.80 2k3d h VAL 21 Cb 0.02 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 2k3d h VAL 21 CO -0.04 0.37 0.44 0.74 0.02 0.00 0.00 177.57 179.09 2k3d h THR 22 N 0.95 1.15 -0.74 2.57 2.02 -0.89 -1.75 112.91 116.22 2k3d h THR 22 Ca 0.19 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 2k3d h THR 22 Cb 0.41 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 2k3d h THR 22 CO 0.01 0.16 0.37 -0.07 0.37 0.00 0.00 175.52 176.36 2k3d h LEU 23 N 0.88 0.97 -0.09 2.58 4.07 -1.12 0.13 115.31 122.73 2k3d h LEU 23 Ca 0.25 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 58.08 2k3d h LEU 23 Cb -0.08 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.41 2k3d h LEU 23 CO -0.06 0.82 0.06 0.22 -1.08 0.00 0.00 178.44 178.39 2k3d h TYR 24 N 1.04 0.11 -0.43 1.13 3.20 -0.86 0.57 116.97 121.73 2k3d h TYR 24 Ca 0.26 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.01 2k3d h TYR 24 Cb 0.10 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.32 2k3d h TYR 24 CO 0.01 0.08 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.35 2k3d h LEU 25 N 0.11 0.91 -0.46 2.82 3.38 -1.10 -0.69 115.31 120.28 2k3d h LEU 25 Ca 0.03 -0.40 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 2k3d h LEU 25 Cb 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 2k3d h LEU 25 CO -0.01 1.11 0.08 0.50 0.09 0.00 0.00 178.44 180.21 2k3d h LYS 26 N 0.72 0.76 0.00 1.13 3.64 -0.54 0.75 116.57 123.03 2k3d h LYS 26 Ca 0.10 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2k3d h LYS 26 Cb 0.75 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 2k3d h LYS 26 CO 0.06 0.77 -0.02 0.45 -2.27 0.00 0.00 179.45 178.43 2k3d h HIS 27 N 0.63 0.00 0.00 1.91 3.86 -0.87 -3.18 115.15 117.50 2k3d h HIS 27 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2k3d h HIS 27 Cb 0.37 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2k3d h HIS 27 CO 0.03 0.00 -0.81 0.09 0.86 0.00 0.00 177.93 178.09 2k3d n ASN 28 N -2.44 0.80 -3.38 2.45 5.03 -0.27 -4.73 115.26 112.71 2k3d n ASN 28 Ca 0.05 -0.87 -0.23 0.00 0.87 0.00 0.00 54.58 54.40 2k3d n ASN 28 Cb 0.45 1.02 -0.09 0.00 -1.02 0.00 0.00 39.78 40.14 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 -2.59 -0.07 0.51 2.41 1.01 0.26 -2.46 121.20 120.26 2k3d s ILE 29 Ca 0.06 -1.53 0.25 0.00 0.00 0.00 0.00 60.65 59.43 2k3d s ILE 29 Cb 0.13 -0.90 0.41 0.00 0.01 0.00 0.00 42.46 42.10 2k3d s ILE 29 CO 0.69 -0.82 1.95 -0.65 0.00 0.00 0.00 174.94 176.11 2k3d h PRO 30 N 6.73 0.08 -0.20 2.79 0.11 -1.79 0.17 132.00 139.90 2k3d h PRO 30 Ca 0.09 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.19 2k3d h PRO 30 Cb 1.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2k3d h PRO 30 CO 0.24 0.05 0.00 -3.47 -0.21 0.00 0.00 178.00 174.61 2k3d n ASP 31 N -4.37 0.20 -4.72 -2.05 2.03 -1.26 -4.82 116.55 101.55 2k3d n ASP 31 Ca 0.13 -1.27 -0.42 0.00 0.52 0.00 0.00 54.79 53.75 2k3d n ASP 31 Cb 0.68 -0.10 -0.03 0.00 -0.72 0.00 0.00 41.12 40.96 2k3d n ASP 31 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2k3d s PHE 32 N -1.69 2.93 0.07 -0.67 2.19 0.59 -4.89 117.98 116.52 2k3d s PHE 32 Ca 0.00 0.44 -0.01 0.00 0.33 0.00 0.00 56.93 57.70 2k3d s PHE 32 Cb 0.00 -4.08 -0.00 0.00 -1.31 0.00 0.00 43.02 37.62 2k3d s PHE 32 CO 0.00 -4.05 -0.02 -1.71 1.83 0.00 0.00 175.22 171.28 2k3d n ASN 33 N 3.85 0.99 -3.98 6.13 2.85 -1.26 -5.08 115.26 118.76 2k3d n ASN 33 Ca 0.15 0.13 -0.09 0.00 -0.11 0.00 0.00 54.58 54.65 2k3d n ASN 33 Cb 0.36 -0.31 -0.08 0.00 1.24 0.00 0.00 39.78 41.00 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 -1.89 0.08 -0.01 -0.44 -1.32 -1.26 -4.95 115.64 105.85 2k3d s THR 34 Ca -0.01 -1.46 0.02 0.00 -1.21 0.00 0.00 61.69 59.04 2k3d s THR 34 Cb 0.00 -1.81 -0.00 0.00 -1.51 0.00 0.00 72.50 69.18 2k3d s THR 34 CO 0.02 -0.38 -0.08 0.54 -2.21 0.00 0.00 174.62 172.51 2k3d s VAL 35 N -3.97 0.66 -0.18 5.08 0.11 -1.26 -2.24 120.40 118.60 2k3d s VAL 35 Ca 0.17 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 2k3d s VAL 35 Cb 0.04 -0.57 0.04 0.00 -1.53 0.00 0.00 36.38 34.36 2k3d s VAL 35 CO -0.01 0.20 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.99 2k3d s THR 36 N -0.01 1.36 -0.18 5.04 2.01 -0.20 -5.00 115.64 118.66 2k3d s THR 36 Ca 0.00 -0.79 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 2k3d s THR 36 Cb -0.05 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 2k3d s THR 36 CO -0.00 0.16 0.40 -0.36 -0.69 0.00 0.00 174.62 174.14 2k3d s PHE 37 N 1.52 3.41 -0.44 4.92 0.08 -1.26 -2.24 117.98 123.97 2k3d s PHE 37 Ca 0.00 0.66 0.07 0.00 0.12 0.00 0.00 56.93 57.78 2k3d s PHE 37 Cb -0.16 -2.51 0.18 0.00 -0.57 0.00 0.00 43.02 39.96 2k3d s PHE 37 CO -0.08 0.05 0.59 -0.08 -0.10 0.00 0.00 175.22 175.60 2k3d s THR 38 N 1.11 -0.78 0.04 0.64 -1.32 -1.03 -4.99 115.64 109.30 2k3d s THR 38 Ca 0.20 -0.70 0.00 0.00 -1.21 0.00 0.00 61.69 59.98 2k3d s THR 38 Cb -0.15 -0.21 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 2k3d s THR 38 CO 0.08 -0.20 0.00 -3.20 -2.21 0.00 0.00 174.62 169.09 2k3d n ASN 39 N 3.79 -0.33 -3.32 8.08 2.85 -1.26 -4.78 115.26 120.30 2k3d n ASN 39 Ca 0.15 0.32 -0.19 0.00 -0.11 0.00 0.00 54.58 54.74 2k3d n ASN 39 Cb 0.54 0.58 0.02 0.00 1.24 0.00 0.00 39.78 42.15 2k3d n ASN 39 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2k3d n GLU 40 N -2.44 -1.23 -4.55 1.20 -0.58 -1.26 -4.98 120.64 106.80 2k3d n GLU 40 Ca 0.00 1.19 -0.27 0.00 -0.42 0.00 0.00 57.16 57.66 2k3d n GLU 40 Cb 0.00 -1.77 -0.14 0.00 -0.57 0.00 0.00 31.44 28.97 2k3d n GLU 40 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2k3d s GLU 41 N -1.76 1.43 -0.25 3.49 0.41 -1.04 -5.00 118.70 115.98 2k3d s GLU 41 Ca 0.19 -1.14 -0.21 0.00 -0.41 0.00 0.00 54.97 53.40 2k3d s GLU 41 Cb -0.02 -1.70 -0.02 0.00 -1.78 0.00 0.00 34.13 30.62 2k3d s GLU 41 CO 0.47 0.42 0.66 -0.59 -0.49 0.00 0.00 175.26 175.73 2k3d s PHE 42 N -0.96 3.29 0.17 1.61 -0.71 -1.26 -0.84 117.98 119.29 2k3d s PHE 42 Ca 0.10 0.88 0.06 0.00 -1.04 0.00 0.00 56.93 56.93 2k3d s PHE 42 Cb -0.10 -2.87 -0.04 0.00 -1.21 0.00 0.00 43.02 38.80 2k3d s PHE 42 CO 0.04 -0.33 0.09 -0.80 -1.34 0.00 0.00 175.22 172.88 2k3d s ASN 43 N 1.43 5.27 0.32 1.98 -0.87 -0.12 -4.92 114.94 118.03 2k3d s ASN 43 Ca 0.28 -0.22 0.10 0.00 -1.57 0.00 0.00 52.86 51.46 2k3d s ASN 43 Cb -0.15 -1.30 0.95 0.00 -0.02 0.00 0.00 41.25 40.72 2k3d s ASN 43 CO 0.08 0.08 1.69 -0.65 -2.57 0.00 0.00 177.10 175.73 2k3d h PRO 44 N 2.52 0.39 -0.33 -0.60 0.11 -1.99 0.20 132.00 132.30 2k3d h PRO 44 Ca -0.47 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.45 2k3d h PRO 44 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 2k3d h PRO 44 CO 0.62 0.26 -0.42 0.97 -0.21 0.00 0.00 178.00 179.21 2k3d h ILE 45 N 0.40 1.28 0.00 4.15 2.10 -2.02 -3.49 117.51 119.94 2k3d h ILE 45 Ca 0.67 -1.60 0.00 0.00 1.08 0.00 0.00 64.86 65.01 2k3d h ILE 45 Cb 1.41 1.47 0.00 0.00 -1.09 0.00 0.00 36.82 38.61 2k3d h ILE 45 CO -0.56 0.53 0.00 0.61 -1.08 0.00 0.00 178.15 177.64 2k3d n GLY 46 N 0.15 -1.02 3.31 8.18 0.00 0.69 -5.11 105.19 111.38 2k3d n GLY 46 Ca -0.02 0.61 -0.29 0.00 0.00 0.00 0.00 46.02 46.31 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 2.00 -0.06 -0.61 -4.36 -1.26 -0.95 121.20 115.96 2k3d s ILE 47 Ca 0.00 -1.30 0.05 0.00 -0.26 0.00 0.00 60.65 59.15 2k3d s ILE 47 Cb 0.00 -1.71 -0.01 0.00 1.25 0.00 0.00 42.46 41.99 2k3d s ILE 47 CO 0.00 0.36 -0.24 -0.55 0.24 0.00 0.00 174.94 174.75 2k3d s SER 48 N -1.12 3.19 -0.13 4.36 0.15 -0.02 -0.72 113.70 119.41 2k3d s SER 48 Ca 0.10 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2k3d s SER 48 Cb -0.10 -0.93 -0.01 0.00 -1.71 0.00 0.00 66.02 63.27 2k3d s SER 48 CO 0.02 0.24 -0.15 -0.63 1.20 0.00 0.00 173.24 173.92 2k3d s ILE 49 N -0.13 2.87 0.01 6.45 1.01 0.05 -2.48 121.20 128.98 2k3d s ILE 49 Ca -0.04 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.91 2k3d s ILE 49 Cb -0.14 -2.19 -0.01 0.00 0.01 0.00 0.00 42.46 40.13 2k3d s ILE 49 CO 0.04 0.53 -0.09 -0.62 0.00 0.00 0.00 174.94 174.80 2k3d s ASP 50 N 0.41 1.05 0.00 3.58 -1.08 -1.26 -0.95 116.67 118.42 2k3d s ASP 50 Ca -0.11 -0.26 0.00 0.00 -0.52 0.00 0.00 52.55 51.66 2k3d s ASP 50 Cb -0.16 -0.09 0.00 0.00 -1.46 0.00 0.00 42.92 41.21 2k3d s ASP 50 CO 0.06 0.04 0.00 0.61 0.52 0.00 0.00 175.17 176.40 2k3d n GLY 51 N 2.51 1.17 3.21 2.66 0.00 -0.70 -2.48 105.19 111.56 2k3d n GLY 51 Ca -0.15 -0.76 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.33 0.70 0.35 1.61 -0.85 -0.95 -0.01 117.35 114.87 2k3d s TYR 52 Ca 0.00 -1.08 0.07 0.00 -0.52 0.00 0.00 57.07 55.54 2k3d s TYR 52 Cb 0.00 -0.34 -0.07 0.00 0.38 0.00 0.00 41.96 41.93 2k3d s TYR 52 CO 0.00 -0.58 -0.03 0.96 -1.52 0.00 0.00 175.55 174.39 2k3d s ILE 53 N -4.02 1.87 -1.50 -3.49 -4.36 -0.97 -1.04 121.20 107.70 2k3d s ILE 53 Ca 0.21 -2.09 -0.05 0.00 -0.26 0.00 0.00 60.65 58.47 2k3d s ILE 53 Cb 0.06 -2.75 0.02 0.00 1.25 0.00 0.00 42.46 41.04 2k3d s ILE 53 CO 0.01 -0.12 0.47 0.59 0.24 0.00 0.00 174.94 176.13 2k3d n ASN 54 N -0.79 -5.51 -1.73 4.36 3.02 -0.95 -1.30 115.26 112.36 2k3d n ASN 54 Ca -0.05 -0.24 -0.05 0.00 -0.03 0.00 0.00 54.58 54.21 2k3d n ASN 54 Cb 0.65 -4.49 -0.01 0.00 -0.61 0.00 0.00 39.78 35.32 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 -2.37 -1.65 -4.31 6.41 2.85 -1.26 -4.85 115.26 110.08 2k3d n ASN 55 Ca -0.11 0.24 -0.38 0.00 -0.11 0.00 0.00 54.58 54.21 2k3d n ASN 55 Cb 0.61 -1.68 -0.12 0.00 1.24 0.00 0.00 39.78 39.84 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 -1.67 5.37 0.48 1.20 1.01 -0.42 -4.96 116.67 117.68 2k3d s ASP 56 Ca 0.00 -1.01 0.14 0.00 0.71 0.00 0.00 52.55 52.39 2k3d s ASP 56 Cb 0.00 -1.91 1.13 0.00 1.01 0.00 0.00 42.92 43.16 2k3d s ASP 56 CO 0.00 -0.31 2.09 0.11 0.21 0.00 0.00 175.17 177.27 2k3d h LYS 57 N 8.27 0.20 -0.78 8.23 1.79 -1.89 -1.59 116.57 130.80 2k3d h LYS 57 Ca -0.25 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.18 2k3d h LYS 57 Cb 1.10 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.66 2k3d h LYS 57 CO 0.62 0.13 0.39 -0.91 -1.08 0.00 0.00 179.45 178.60 2k3d h ASN 58 N 0.21 0.99 -0.84 0.86 -0.26 -1.93 -3.28 115.58 111.33 2k3d h ASN 58 Ca 0.09 -0.10 -0.71 0.00 -0.56 0.00 0.00 56.30 55.02 2k3d h ASN 58 Cb 0.11 -0.25 -0.09 0.00 -1.06 0.00 0.00 38.32 37.03 2k3d h ASN 58 CO -0.02 0.82 2.37 0.18 -1.06 0.00 0.00 177.43 179.73 2k3d n LEU 59 N -4.33 5.87 -4.93 1.61 4.77 -0.60 -4.80 117.00 114.59 2k3d n LEU 59 Ca 0.08 -4.18 -0.26 0.00 -0.03 0.00 0.00 56.01 51.62 2k3d n LEU 59 Cb 0.12 -1.66 -0.03 0.00 -2.33 0.00 0.00 43.42 39.53 2k3d n LEU 59 CO 0.39 0.73 0.08 -0.44 -1.33 0.00 0.00 177.39 176.82 2k3d s SER 60 N 3.21 6.37 0.06 -1.43 0.01 -1.24 -2.29 113.70 118.38 2k3d s SER 60 Ca 0.48 0.43 -0.09 0.00 1.31 0.00 0.00 55.95 58.08 2k3d s SER 60 Cb 0.07 -2.02 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2k3d s SER 60 CO 0.00 -0.12 0.20 0.72 0.41 0.00 0.00 173.24 174.45 2k3d s PHE 61 N -2.00 0.08 -0.02 2.43 -0.12 0.98 -2.46 117.98 116.87 2k3d s PHE 61 Ca 0.39 -0.38 -0.02 0.00 -0.05 0.00 0.00 56.93 56.87 2k3d s PHE 61 Cb -0.10 -0.03 0.01 0.00 -0.63 0.00 0.00 43.02 42.26 2k3d s PHE 61 CO 0.31 -0.49 0.05 0.99 -0.05 0.00 0.00 175.22 176.03 2k3d s THR 62 N -3.12 -0.01 -0.03 -4.49 2.01 -0.52 -1.72 115.64 107.76 2k3d s THR 62 Ca -0.01 0.02 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 2k3d s THR 62 Cb 0.01 -0.08 0.01 0.00 0.01 0.00 0.00 72.50 72.45 2k3d s THR 62 CO -0.07 0.01 0.16 0.00 -0.69 0.00 0.00 174.62 174.03 2k3d s ALA 63 N 0.15 -0.40 -0.19 7.40 0.00 -0.12 -1.02 121.76 127.57 2k3d s ALA 63 Ca -0.01 0.21 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 2k3d s ALA 63 Cb -0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 2k3d s ALA 63 CO -0.00 -0.14 0.21 0.20 0.00 0.00 0.00 175.76 176.03 2k3d s GLY 64 N -0.59 2.09 0.00 0.00 0.00 -0.30 -0.77 107.32 107.75 2k3d s GLY 64 Ca -0.07 -0.63 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2k3d s GLY 64 CO 0.01 0.34 0.00 0.58 0.00 0.00 0.00 173.10 174.03 2k3d n LYS 65 N 3.76 0.00 -1.05 2.90 2.85 0.10 0.21 118.16 126.92 2k3d n LYS 65 Ca -0.14 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.76 2k3d n LYS 65 Cb 0.52 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.86 2k3d n LYS 65 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2k3d n ASP 66 N 0.75 3.48 -0.36 -5.58 -0.08 -1.26 -4.27 116.55 109.23 2k3d n ASP 66 Ca 0.00 -2.57 -0.03 0.00 -1.51 0.00 0.00 54.79 50.68 2k3d n ASP 66 Cb 0.00 -1.15 -0.01 0.00 2.34 0.00 0.00 41.12 42.30 2k3d n ASP 66 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2k3d n VAL 67 N 5.31 0.00 -1.70 5.18 0.31 -0.14 -4.81 118.33 122.48 2k3d n VAL 67 Ca 0.48 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.39 2k3d n VAL 67 Cb 0.31 -0.66 -0.03 0.00 -0.91 0.00 0.00 33.84 32.55 2k3d n VAL 67 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2k3d s LYS 68 N -1.56 3.71 0.10 5.55 -0.14 0.56 -4.27 119.74 123.69 2k3d s LYS 68 Ca 0.00 2.27 0.00 0.00 -1.36 0.00 0.00 55.97 56.88 2k3d s LYS 68 Cb 0.00 -4.23 0.00 0.00 -1.68 0.00 0.00 37.83 31.92 2k3d s LYS 68 CO 0.00 -1.44 0.00 -0.89 -0.76 0.00 0.00 175.35 172.26 2k3d n ILE 69 N 6.50-10.60 -4.04 2.17 5.41 -1.26 -1.15 119.36 116.39 2k3d n ILE 69 Ca 0.24 2.62 -0.09 0.00 1.00 0.00 0.00 62.75 66.51 2k3d n ILE 69 Cb 0.43 -4.72 -0.11 0.00 -0.71 0.00 0.00 39.64 34.54 2k3d n ILE 69 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 2k3d s PHE 70 N -0.43 0.43 0.07 1.39 -0.12 -1.26 -1.78 117.98 116.28 2k3d s PHE 70 Ca 0.00 -0.73 -0.03 0.00 -0.05 0.00 0.00 56.93 56.12 2k3d s PHE 70 Cb 0.00 -0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.06 2k3d s PHE 70 CO 0.00 -0.24 0.04 -1.54 -0.05 0.00 0.00 175.22 173.43 2k3d s SER 71 N -2.05 0.37 0.04 1.98 1.04 -0.19 -4.99 113.70 109.90 2k3d s SER 71 Ca -0.06 -0.95 -0.08 0.00 0.48 0.00 0.00 55.95 55.34 2k3d s SER 71 Cb -0.03 0.25 -0.00 0.00 0.10 0.00 0.00 66.02 66.34 2k3d s SER 71 CO -0.04 -0.65 0.16 -0.44 0.98 0.00 0.00 173.24 173.25 2k3d s SER 72 N -2.93 0.09 0.91 7.02 0.01 -1.26 -1.44 113.70 116.11 2k3d s SER 72 Ca 0.09 -0.45 -0.11 0.00 1.31 0.00 0.00 55.95 56.79 2k3d s SER 72 Cb 0.07 0.27 0.14 0.00 0.21 0.00 0.00 66.02 66.71 2k3d s SER 72 CO -0.08 -0.55 1.10 -0.94 0.41 0.00 0.00 173.24 173.17 2k3d s SER 73 N -2.16 3.20 0.12 2.44 1.04 -1.03 -4.68 113.70 112.63 2k3d s SER 73 Ca -0.04 1.77 -0.20 0.00 0.48 0.00 0.00 55.95 57.96 2k3d s SER 73 Cb -0.01 -2.38 -0.05 0.00 0.10 0.00 0.00 66.02 63.67 2k3d s SER 73 CO -0.05 -2.86 1.75 -0.33 0.98 0.00 0.00 173.24 172.73 2k3d h GLU 74 N -1.70 0.14 -0.57 4.02 3.07 -1.93 0.28 114.58 117.89 2k3d h GLU 74 Ca -0.48 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.32 2k3d h GLU 74 Cb 1.27 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 29.13 2k3d h GLU 74 CO 0.49 0.09 0.14 0.93 -1.40 0.00 0.00 179.01 179.27 2k3d h GLU 75 N 0.14 0.92 -0.49 2.33 3.07 -1.91 -2.31 114.58 116.33 2k3d h GLU 75 Ca 0.08 -0.22 -0.11 0.00 -0.50 0.00 0.00 59.36 58.61 2k3d h GLU 75 Cb 0.05 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 2k3d h GLU 75 CO -0.08 0.85 -0.14 1.25 -1.40 0.00 0.00 179.01 179.49 2k3d h LEU 76 N 0.82 0.92 -1.35 1.33 5.85 -1.79 -2.78 115.31 118.32 2k3d h LEU 76 Ca 0.18 -0.31 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2k3d h LEU 76 Cb 0.34 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2k3d h LEU 76 CO 0.00 1.06 0.01 -0.78 -0.34 0.00 0.00 178.44 178.39 2k3d h ASP 77 N 0.82 0.41 0.80 1.25 1.82 -0.20 -1.11 116.42 120.20 2k3d h ASP 77 Ca 0.13 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.70 2k3d h ASP 77 Cb 0.67 -0.11 0.00 0.00 0.68 0.00 0.00 39.33 40.58 2k3d h ASP 77 CO 0.05 0.47 0.00 0.29 -1.61 0.00 0.00 179.24 178.44 2k3d n LYS 78 N -4.32 0.11 0.00 0.28 5.02 -0.89 -2.20 118.16 116.16 2k3d n LYS 78 Ca 0.01 0.27 0.13 0.00 -2.02 0.00 0.00 58.31 56.70 2k3d n LYS 78 Cb 0.22 -1.67 0.49 0.00 -0.02 0.00 0.00 35.03 34.04 2k3d n LYS 78 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2k3d n MET 79 N -1.87 0.24 -1.93 1.97 2.81 -0.42 -4.87 117.12 113.04 2k3d n MET 79 Ca 0.04 -0.09 -0.41 0.00 -1.81 0.00 0.00 57.70 55.43 2k3d n MET 79 Cb 0.26 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.25 2k3d n MET 79 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 2k3d s PHE 80 N -2.82 2.90 -0.05 2.03 0.40 -0.94 -4.72 117.98 114.79 2k3d s PHE 80 Ca 0.18 1.00 0.08 0.00 -0.60 0.00 0.00 56.93 57.59 2k3d s PHE 80 Cb 0.19 -3.90 -0.12 0.00 0.51 0.00 0.00 43.02 39.70 2k3d s PHE 80 CO 0.57 -2.90 0.11 0.94 0.70 0.00 0.00 175.22 174.64 2k3d n GLN 81 N 1.99 1.47 -4.42 0.44 -0.06 -1.03 -5.01 117.38 110.77 2k3d n GLN 81 Ca 0.06 -0.04 -0.27 0.00 -2.00 0.00 0.00 57.00 54.75 2k3d n GLN 81 Cb 0.39 -1.21 -0.12 0.00 -4.06 0.00 0.00 30.24 25.24 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2k3d s GLU 82 N -2.41 1.50 1.32 3.69 2.02 -1.26 -5.10 118.70 118.47 2k3d s GLU 82 Ca -0.04 -1.50 -0.22 0.00 0.02 0.00 0.00 54.97 53.23 2k3d s GLU 82 Cb 0.04 -1.84 0.33 0.00 0.10 0.00 0.00 34.13 32.76 2k3d s GLU 82 CO 0.35 0.40 1.04 -1.25 0.02 0.00 0.00 175.26 175.83 2k3d s PRO 83 N -2.59 -2.16 0.11 0.39 0.04 -1.26 -4.92 135.00 124.60 2k3d s PRO 83 Ca 0.20 -0.10 -0.31 0.00 0.04 0.00 0.00 61.00 60.82 2k3d s PRO 83 Cb -0.08 -1.49 -0.09 0.00 0.04 0.00 0.00 34.50 32.88 2k3d s PRO 83 CO 0.09 -4.32 1.66 1.03 0.04 0.00 0.00 177.00 175.49 2k3d s ARG 84 N -5.38 4.19 0.03 4.56 0.52 -1.26 -5.00 118.95 116.62 2k3d s ARG 84 Ca 0.71 2.39 0.02 0.00 -0.52 0.00 0.00 55.73 58.32 2k3d s ARG 84 Cb -0.09 -3.45 -0.02 0.00 0.52 0.00 0.00 34.95 31.91 2k3d s ARG 84 CO 0.56 -0.71 -0.06 0.15 0.02 0.00 0.00 175.30 175.26 2k3d s LYS 85 N 2.16 0.44 0.67 3.54 1.02 -1.26 -5.15 119.74 121.15 2k3d s LYS 85 Ca 0.74 -0.58 -0.10 0.00 0.02 0.00 0.00 55.97 56.05 2k3d s LYS 85 Cb -0.42 -0.23 0.01 0.00 -0.52 0.00 0.00 37.83 36.67 2k3d s LYS 85 CO 0.32 0.04 1.04 0.20 -0.92 0.00 0.00 175.35 176.03 2k3d s GLY 86 N -1.19 1.62 0.17 -3.33 0.00 -1.26 -4.90 107.32 98.43 2k3d s GLY 86 Ca -0.08 -0.44 -0.13 0.00 0.00 0.00 0.00 44.72 44.06 2k3d s GLY 86 CO 0.00 -0.10 1.78 -1.82 0.00 0.00 0.00 173.10 172.96 2k3d h TYR 87 N -0.50 0.75 -0.04 1.90 3.20 -1.97 -1.86 116.97 118.45 2k3d h TYR 87 Ca -0.45 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.29 2k3d h TYR 87 Cb 1.25 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2k3d h TYR 87 CO 0.50 0.54 -0.50 0.22 -1.64 0.00 0.00 178.16 177.28 2k3d h ASP 88 N 0.74 0.11 -0.26 -2.11 3.58 -2.00 -2.71 116.42 113.77 2k3d h ASP 88 Ca 0.19 -0.05 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 2k3d h ASP 88 Cb 0.04 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.05 2k3d h ASP 88 CO -0.03 0.59 -0.03 -0.08 -2.88 0.00 0.00 179.24 176.81 2k3d h GLU 89 N 0.08 0.48 -0.37 0.28 4.81 -1.77 -2.28 114.58 115.82 2k3d h GLU 89 Ca 0.00 -0.17 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 2k3d h GLU 89 Cb 0.91 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 2k3d h GLU 89 CO 0.07 0.67 -0.12 -0.84 -0.73 0.00 0.00 179.01 178.06 2k3d h ILE 90 N 0.24 1.25 -0.60 2.32 3.07 -1.33 0.30 117.51 122.76 2k3d h ILE 90 Ca 0.07 -1.12 -0.04 0.00 1.55 0.00 0.00 64.86 65.33 2k3d h ILE 90 Cb 0.48 1.10 -0.03 0.00 -0.27 0.00 0.00 36.82 38.10 2k3d h ILE 90 CO 0.02 0.37 0.23 -0.07 -1.05 0.00 0.00 178.15 177.66 2k3d h LEU 91 N 0.59 0.84 -0.00 0.16 3.38 -1.34 -2.77 115.31 116.16 2k3d h LEU 91 Ca 0.10 -0.18 -0.23 0.00 0.09 0.00 0.00 57.88 57.67 2k3d h LEU 91 Cb 0.55 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2k3d h LEU 91 CO 0.03 0.79 -1.06 -0.33 0.09 0.00 0.00 178.44 177.96 2k3d h GLU 92 N 0.84 0.12 0.00 1.13 3.07 -1.16 -3.47 114.58 115.11 2k3d h GLU 92 Ca 0.20 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 2k3d h GLU 92 Cb 0.22 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.19 2k3d h GLU 92 CO -0.01 1.06 0.00 1.58 -1.40 0.00 0.00 179.01 180.24 2k3d n HIS 93 N -3.46 0.00 -1.56 4.33 -0.00 0.10 -4.92 115.22 109.72 2k3d n HIS 93 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 2k3d n HIS 93 Cb 0.95 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.94 2k3d n HIS 93 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k3d n HIS 94 N 0.00 -1.04 -2.54 1.57 8.25 -1.26 -4.50 115.22 115.70 2k3d n HIS 94 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2k3d n HIS 94 Cb 0.00 0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 2k3d n HIS 94 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k3d s HIS 95 N 0.00 3.55 -0.95 4.41 3.76 -1.26 -4.89 115.29 119.92 2k3d s HIS 95 Ca 0.00 1.50 0.07 0.00 -0.15 0.00 0.00 55.06 56.48 2k3d s HIS 95 Cb 0.00 -3.29 0.31 0.00 1.11 0.00 0.00 32.58 30.72 2k3d s HIS 95 CO 0.00 -0.71 1.22 1.58 -0.85 0.00 0.00 174.74 175.99 2k3d n HIS 96 N 3.51 0.06 -0.22 1.40 -0.00 -1.26 -2.06 115.22 116.64 2k3d n HIS 96 Ca 0.06 0.03 -0.09 0.00 0.46 0.00 0.00 57.72 58.18 2k3d n HIS 96 Cb 0.48 -0.54 0.03 0.00 -0.12 0.00 0.00 29.99 29.83 2k3d n HIS 96 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 2k3d h HIS 97 N 0.00 1.15 0.00 1.57 -0.00 -1.95 -3.55 115.15 112.36 2k3d h HIS 97 Ca 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 60.37 60.19 2k3d h HIS 97 Cb 0.10 -0.31 0.00 0.00 -0.00 0.00 0.00 27.41 27.21 2k3d h HIS 97 CO 0.00 0.99 0.00 1.58 -0.00 0.00 0.00 177.93 180.50