#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 0.63 -0.54 0.00 3.57 -2.06 -2.04 116.94 116.51 2k3d h PHE 13 Ca 0.00 -0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.38 2k3d h PHE 13 Cb 0.00 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 2k3d h PHE 13 CO 0.00 0.53 0.02 0.74 -2.23 0.00 0.00 178.31 177.38 2k3d h PHE 14 N 0.55 0.95 -0.83 0.41 -1.00 -2.03 -2.64 116.94 112.35 2k3d h PHE 14 Ca 0.15 -0.14 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2k3d h PHE 14 Cb 0.15 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 39.41 2k3d h PHE 14 CO -0.01 0.85 0.46 -0.91 -1.61 0.00 0.00 178.31 177.10 2k3d h ASN 15 N 0.83 1.03 -0.04 2.17 2.35 -1.90 0.55 115.58 120.57 2k3d h ASN 15 Ca 0.16 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2k3d h ASN 15 Cb 0.46 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.57 2k3d h ASN 15 CO 0.02 0.82 0.02 -0.33 -1.65 0.00 0.00 177.43 176.32 2k3d h GLU 16 N 1.15 0.06 -0.18 0.81 5.08 -1.05 -1.11 114.58 119.34 2k3d h GLU 16 Ca 0.29 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 2k3d h GLU 16 Cb 0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k3d h GLU 16 CO -0.05 0.12 -0.34 1.96 -1.00 0.00 0.00 179.01 179.70 2k3d h GLN 17 N -0.01 0.37 -0.45 2.33 4.20 -1.16 -2.59 115.11 117.79 2k3d h GLN 17 Ca 0.02 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.56 2k3d h GLN 17 Cb 0.07 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2k3d h GLN 17 CO -0.00 0.66 0.23 -0.22 -0.67 0.00 0.00 178.83 178.83 2k3d h LYS 18 N 0.31 0.64 -0.54 1.46 3.64 0.51 -1.80 116.57 120.80 2k3d h LYS 18 Ca 0.04 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 2k3d h LYS 18 Cb 0.75 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 2k3d h LYS 18 CO 0.06 0.54 -0.10 0.93 -2.27 0.00 0.00 179.45 178.60 2k3d h GLU 19 N 0.59 1.01 -0.60 1.90 5.08 -1.07 -2.55 114.58 118.94 2k3d h GLU 19 Ca 0.16 -0.36 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 2k3d h GLU 19 Cb 0.09 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2k3d h GLU 19 CO -0.02 1.05 0.22 0.87 -1.00 0.00 0.00 179.01 180.13 2k3d h LYS 20 N 0.90 0.90 -0.51 2.33 1.57 -1.21 -2.18 116.57 118.37 2k3d h LYS 20 Ca 0.14 -0.17 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 2k3d h LYS 20 Cb 0.66 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2k3d h LYS 20 CO 0.05 0.78 0.02 0.28 -0.57 0.00 0.00 179.45 180.01 2k3d h VAL 21 N 0.83 1.26 -0.33 0.50 2.07 -1.25 -1.36 116.25 117.97 2k3d h VAL 21 Ca 0.20 -1.04 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2k3d h VAL 21 Cb 0.23 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 2k3d h VAL 21 CO -0.01 0.37 0.21 0.74 0.02 0.00 0.00 177.57 178.89 2k3d h THR 22 N 0.75 1.10 -0.64 2.57 2.02 -1.26 -1.25 112.91 116.19 2k3d h THR 22 Ca 0.15 -0.22 -0.07 0.00 0.77 0.00 0.00 66.41 67.04 2k3d h THR 22 Cb 0.49 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.52 2k3d h THR 22 CO 0.02 0.10 0.14 0.25 0.37 0.00 0.00 175.52 176.40 2k3d h LEU 23 N 0.44 0.98 -0.53 2.58 5.85 -1.29 -2.39 115.31 120.94 2k3d h LEU 23 Ca 0.12 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.60 2k3d h LEU 23 Cb -0.02 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 2k3d h LEU 23 CO -0.02 0.97 0.35 0.22 -0.34 0.00 0.00 178.44 179.62 2k3d h TYR 24 N 0.95 0.67 -0.62 1.25 3.20 -0.87 -2.07 116.97 119.48 2k3d h TYR 24 Ca 0.20 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.04 2k3d h TYR 24 Cb 0.38 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.39 2k3d h TYR 24 CO 0.03 0.43 0.23 -0.07 -1.64 0.00 0.00 178.16 177.14 2k3d h LEU 25 N 0.72 0.87 -0.81 2.82 3.38 -1.05 -2.34 115.31 118.90 2k3d h LEU 25 Ca 0.19 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2k3d h LEU 25 Cb -0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.41 2k3d h LEU 25 CO -0.04 0.81 0.38 0.11 0.09 0.00 0.00 178.44 179.79 2k3d h LYS 26 N 0.87 1.18 -0.28 1.13 1.57 -1.10 0.37 116.57 120.31 2k3d h LYS 26 Ca 0.20 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 2k3d h LYS 26 Cb 0.23 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 2k3d h LYS 26 CO -0.01 0.91 -0.26 0.45 -0.57 0.00 0.00 179.45 179.97 2k3d h HIS 27 N 1.16 0.61 -0.02 -1.35 3.86 -1.16 -2.76 115.15 115.50 2k3d h HIS 27 Ca 0.28 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 2k3d h HIS 27 Cb 0.13 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.45 2k3d h HIS 27 CO 0.01 0.75 -0.10 0.09 0.86 0.00 0.00 177.93 179.55 2k3d n ASN 28 N -4.11 2.06 -3.40 2.45 3.02 -0.90 -4.61 115.26 109.77 2k3d n ASN 28 Ca -0.00 -1.61 -0.27 0.00 -0.03 0.00 0.00 54.58 52.67 2k3d n ASN 28 Cb 0.42 0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 39.57 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 0.19 0.54 2.41 1.01 0.13 -3.92 121.20 119.43 2k3d s ILE 29 Ca 0.30 -2.15 0.24 0.00 0.00 0.00 0.00 60.65 59.03 2k3d s ILE 29 Cb 0.20 -1.13 0.36 0.00 0.01 0.00 0.00 42.46 41.89 2k3d s ILE 29 CO 0.38 -1.08 2.05 -0.65 0.00 0.00 0.00 174.94 175.65 2k3d h PRO 30 N 6.23 0.00 -0.61 2.79 0.11 -1.81 0.17 132.00 138.88 2k3d h PRO 30 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2k3d h PRO 30 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 2k3d h PRO 30 CO 0.31 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.85 2k3d n ASP 31 N -4.28 2.50 -4.61 -2.05 8.00 -1.26 -4.94 116.55 109.91 2k3d n ASP 31 Ca 0.05 -2.23 -0.50 0.00 0.71 0.00 0.00 54.79 52.81 2k3d n ASP 31 Cb 0.42 -0.43 -0.05 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.34 1.67 0.00 1.24 -0.00 0.60 -4.89 117.46 116.43 2k3d n PHE 32 Ca 0.11 0.56 -0.00 0.00 -0.00 0.00 0.00 57.45 58.12 2k3d n PHE 32 Cb 0.50 -2.37 -0.00 0.00 -0.00 0.00 0.00 39.48 37.60 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 2.65 0.18 -4.00 -2.13 5.15 -1.26 -5.10 115.26 110.75 2k3d n ASN 33 Ca 0.18 0.03 -0.08 0.00 -0.60 0.00 0.00 54.58 54.10 2k3d n ASN 33 Cb 0.22 -0.15 -0.09 0.00 -0.53 0.00 0.00 39.78 39.23 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 -1.17 0.16 -0.00 -0.44 -1.32 -1.26 -4.99 115.64 106.62 2k3d s THR 34 Ca -0.01 -1.55 0.01 0.00 -1.21 0.00 0.00 61.69 58.94 2k3d s THR 34 Cb 0.00 -1.54 -0.00 0.00 -1.51 0.00 0.00 72.50 69.45 2k3d s THR 34 CO 0.01 -0.75 -0.04 0.54 -2.21 0.00 0.00 174.62 172.17 2k3d s VAL 35 N -3.92 0.35 -0.12 5.08 0.11 -1.26 -2.27 120.40 118.37 2k3d s VAL 35 Ca 0.09 -0.19 0.02 0.00 -2.93 0.00 0.00 61.98 58.97 2k3d s VAL 35 Cb 0.06 -0.30 0.01 0.00 -1.53 0.00 0.00 36.38 34.63 2k3d s VAL 35 CO -0.08 0.10 -0.18 -0.89 -3.33 0.00 0.00 175.10 170.72 2k3d s THR 36 N -0.10 1.69 -0.00 5.04 2.01 -0.22 -4.98 115.64 119.08 2k3d s THR 36 Ca 0.02 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 61.07 2k3d s THR 36 Cb -0.02 -1.52 -0.06 0.00 0.01 0.00 0.00 72.50 70.92 2k3d s THR 36 CO -0.00 0.48 0.51 -0.36 -0.69 0.00 0.00 174.62 174.56 2k3d s PHE 37 N 0.88 3.70 -0.03 4.92 0.08 -1.26 -1.88 117.98 124.39 2k3d s PHE 37 Ca -0.08 1.10 0.02 0.00 0.12 0.00 0.00 56.93 58.09 2k3d s PHE 37 Cb -0.15 -2.47 -0.03 0.00 -0.57 0.00 0.00 43.02 39.79 2k3d s PHE 37 CO -0.01 0.47 -0.01 0.25 -0.10 0.00 0.00 175.22 175.83 2k3d n THR 38 N 2.36 0.21 -2.85 0.64 -2.24 0.15 -4.95 114.28 107.61 2k3d n THR 38 Ca -0.10 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 2k3d n THR 38 Cb 0.51 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 2k3d n THR 38 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2k3d n ASN 39 N -2.29 -6.70 -2.05 3.42 0.23 -0.73 -4.90 115.26 102.25 2k3d n ASN 39 Ca -0.06 0.73 -0.03 0.00 -0.53 0.00 0.00 54.58 54.69 2k3d n ASN 39 Cb 0.59 -1.41 0.05 0.00 -2.08 0.00 0.00 39.78 36.93 2k3d n ASN 39 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2k3d n GLU 40 N 2.06 0.86 -3.68 -3.83 0.28 -1.26 -4.92 120.64 110.15 2k3d n GLU 40 Ca 0.00 -1.32 -0.15 0.00 -0.16 0.00 0.00 57.16 55.53 2k3d n GLU 40 Cb 0.13 0.31 -0.15 0.00 1.43 0.00 0.00 31.44 33.16 2k3d n GLU 40 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2k3d s GLU 41 N -0.17 0.08 -0.22 3.44 2.02 -1.26 -5.07 118.70 117.52 2k3d s GLU 41 Ca 0.08 0.60 -0.05 0.00 0.02 0.00 0.00 54.97 55.62 2k3d s GLU 41 Cb 0.28 -0.19 -0.02 0.00 0.10 0.00 0.00 34.13 34.31 2k3d s GLU 41 CO -0.08 -0.28 -0.01 0.12 0.02 0.00 0.00 175.26 175.02 2k3d s PHE 42 N 2.19 3.00 -0.11 1.61 2.19 -1.26 -1.86 117.98 123.73 2k3d s PHE 42 Ca 0.01 -0.69 -0.03 0.00 0.33 0.00 0.00 56.93 56.55 2k3d s PHE 42 Cb -0.12 -2.11 -0.03 0.00 -1.31 0.00 0.00 43.02 39.44 2k3d s PHE 42 CO -0.07 -0.41 0.01 -0.80 1.83 0.00 0.00 175.22 175.78 2k3d s ASN 43 N 1.33 5.28 0.51 6.13 -0.87 -0.10 -4.93 114.94 122.28 2k3d s ASN 43 Ca 0.04 0.12 0.31 0.00 -1.57 0.00 0.00 52.86 51.76 2k3d s ASN 43 Cb -0.15 -1.61 1.43 0.00 -0.02 0.00 0.00 41.25 40.91 2k3d s ASN 43 CO -0.00 0.33 1.83 -0.65 -2.57 0.00 0.00 177.10 176.03 2k3d h PRO 44 N 5.55 0.08 0.00 -0.60 0.11 -2.01 0.78 132.00 135.91 2k3d h PRO 44 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2k3d h PRO 44 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k3d h PRO 44 CO 0.58 0.06 -0.00 0.44 -0.21 0.00 0.00 178.00 178.86 2k3d n ILE 45 N -4.30 0.02 -0.94 4.15 -5.35 -1.26 -4.99 119.36 106.69 2k3d n ILE 45 Ca 0.23 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.70 2k3d n ILE 45 Cb 1.06 -0.50 0.00 0.00 -1.74 0.00 0.00 39.64 38.47 2k3d n ILE 45 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k3d n GLY 46 N 1.49 -1.50 3.78 3.28 0.00 0.27 -5.00 105.19 107.51 2k3d n GLY 46 Ca 0.07 -1.47 -0.39 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.05 4.35 -0.17 -0.61 -4.36 -1.26 -0.93 121.20 116.17 2k3d s ILE 47 Ca 0.00 1.72 -0.03 0.00 -0.26 0.00 0.00 60.65 62.08 2k3d s ILE 47 Cb 0.00 -4.15 -0.02 0.00 1.25 0.00 0.00 42.46 39.55 2k3d s ILE 47 CO 0.00 0.52 -0.06 -0.44 0.24 0.00 0.00 174.94 175.20 2k3d s SER 48 N -1.16 4.45 -0.19 4.36 0.01 -0.78 -1.89 113.70 118.49 2k3d s SER 48 Ca 0.36 -0.27 -0.16 0.00 1.31 0.00 0.00 55.95 57.20 2k3d s SER 48 Cb -0.23 -1.73 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 2k3d s SER 48 CO 0.27 0.10 0.38 -0.63 0.41 0.00 0.00 173.24 173.77 2k3d s ILE 49 N 0.76 5.22 0.10 1.44 1.01 0.15 -4.00 121.20 125.87 2k3d s ILE 49 Ca -0.02 0.69 0.08 0.00 0.00 0.00 0.00 60.65 61.40 2k3d s ILE 49 Cb -0.15 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2k3d s ILE 49 CO 0.02 0.28 -0.16 -1.81 0.00 0.00 0.00 174.94 173.26 2k3d s ASP 50 N 0.95 3.99 -0.02 3.58 1.01 -1.26 -0.91 116.67 124.01 2k3d s ASP 50 Ca 0.19 -0.50 -0.22 0.00 0.71 0.00 0.00 52.55 52.73 2k3d s ASP 50 Cb -0.14 -0.62 0.07 0.00 1.01 0.00 0.00 42.92 43.23 2k3d s ASP 50 CO 0.07 0.19 1.01 0.61 0.21 0.00 0.00 175.17 177.27 2k3d n GLY 51 N 0.91 0.31 3.18 0.21 0.00 -0.94 0.33 105.19 109.19 2k3d n GLY 51 Ca -0.15 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.25 0.56 0.29 1.61 1.13 -0.78 -0.17 117.35 117.74 2k3d s TYR 52 Ca 0.24 -0.99 0.09 0.00 -1.41 0.00 0.00 57.07 55.00 2k3d s TYR 52 Cb -0.01 -0.30 -0.06 0.00 -1.10 0.00 0.00 41.96 40.49 2k3d s TYR 52 CO -0.00 -0.53 -0.13 0.96 -2.51 0.00 0.00 175.55 173.34 2k3d s ILE 53 N -3.97 2.13 -1.71 -3.49 -4.36 -1.00 -1.05 121.20 107.75 2k3d s ILE 53 Ca 0.15 -2.25 -0.01 0.00 -0.26 0.00 0.00 60.65 58.28 2k3d s ILE 53 Cb 0.06 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.35 2k3d s ILE 53 CO -0.04 -0.33 0.15 0.59 0.24 0.00 0.00 174.94 175.56 2k3d n ASN 54 N -0.65 -5.92 -2.58 4.36 4.13 -0.96 -1.88 115.26 111.76 2k3d n ASN 54 Ca -0.05 -0.08 -0.11 0.00 1.68 0.00 0.00 54.58 56.02 2k3d n ASN 54 Cb 0.62 -4.89 -0.00 0.00 -1.54 0.00 0.00 39.78 33.96 2k3d n ASN 54 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2k3d n ASN 55 N -2.14 -3.11 -4.19 6.41 3.02 -1.26 -4.89 115.26 109.09 2k3d n ASN 55 Ca -0.21 0.20 -0.35 0.00 -0.03 0.00 0.00 54.58 54.18 2k3d n ASN 55 Cb 0.67 -2.67 -0.13 0.00 -0.61 0.00 0.00 39.78 37.03 2k3d n ASN 55 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2k3d s ASP 56 N -2.11 4.98 0.45 6.41 1.01 -0.79 -4.96 116.67 121.66 2k3d s ASP 56 Ca 0.05 -1.26 0.11 0.00 0.71 0.00 0.00 52.55 52.16 2k3d s ASP 56 Cb -0.03 -1.74 1.01 0.00 1.01 0.00 0.00 42.92 43.17 2k3d s ASP 56 CO 0.06 -0.28 2.08 0.11 0.21 0.00 0.00 175.17 177.35 2k3d h LYS 57 N 8.04 0.35 -0.72 8.23 1.57 -1.90 -1.25 116.57 130.89 2k3d h LYS 57 Ca -0.21 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 2k3d h LYS 57 Cb 1.06 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.26 2k3d h LYS 57 CO 0.55 0.23 0.30 -0.91 -0.57 0.00 0.00 179.45 179.05 2k3d h ASN 58 N 0.36 0.97 -0.95 0.86 2.35 -1.94 -3.29 115.58 113.94 2k3d h ASN 58 Ca 0.12 -0.13 -0.71 0.00 -0.55 0.00 0.00 56.30 55.03 2k3d h ASN 58 Cb 0.04 -0.25 -0.10 0.00 0.05 0.00 0.00 38.32 38.06 2k3d h ASN 58 CO -0.03 0.85 2.28 0.18 -1.65 0.00 0.00 177.43 179.06 2k3d n LEU 59 N -4.30 5.77 -4.98 1.61 4.77 -0.47 -4.71 117.00 114.69 2k3d n LEU 59 Ca 0.07 -4.19 -0.20 0.00 -0.03 0.00 0.00 56.01 51.66 2k3d n LEU 59 Cb 0.17 -1.66 -0.01 0.00 -2.33 0.00 0.00 43.42 39.59 2k3d n LEU 59 CO 0.40 0.70 0.03 -0.55 -1.33 0.00 0.00 177.39 176.64 2k3d s SER 60 N 3.19 6.12 0.05 -1.43 0.15 -1.24 -2.38 113.70 118.15 2k3d s SER 60 Ca 0.48 -0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.94 2k3d s SER 60 Cb 0.06 -1.51 0.02 0.00 -1.71 0.00 0.00 66.02 62.88 2k3d s SER 60 CO 0.01 -0.29 0.27 0.72 1.20 0.00 0.00 173.24 175.15 2k3d s PHE 61 N -2.11 -0.06 -0.02 3.44 -0.12 0.76 -3.87 117.98 116.01 2k3d s PHE 61 Ca 0.40 -0.12 0.02 0.00 -0.05 0.00 0.00 56.93 57.19 2k3d s PHE 61 Cb -0.09 0.06 0.00 0.00 -0.63 0.00 0.00 43.02 42.36 2k3d s PHE 61 CO 0.30 -0.49 -0.08 0.99 -0.05 0.00 0.00 175.22 175.89 2k3d s THR 62 N -2.65 0.73 -0.02 -4.49 2.01 -1.03 -2.21 115.64 107.98 2k3d s THR 62 Ca -0.04 -0.34 0.03 0.00 0.31 0.00 0.00 61.69 61.65 2k3d s THR 62 Cb -0.01 -0.65 -0.00 0.00 0.01 0.00 0.00 72.50 71.85 2k3d s THR 62 CO -0.04 0.23 -0.10 0.00 -0.69 0.00 0.00 174.62 174.02 2k3d s ALA 63 N 0.18 0.90 -0.14 7.40 0.00 -0.09 -1.79 121.76 128.23 2k3d s ALA 63 Ca -0.03 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 2k3d s ALA 63 Cb -0.08 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2k3d s ALA 63 CO 0.00 0.17 0.09 0.20 0.00 0.00 0.00 175.76 176.22 2k3d s GLY 64 N 0.06 2.02 0.00 0.00 0.00 -0.13 0.31 107.32 109.58 2k3d s GLY 64 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.00 2k3d s GLY 64 CO 0.00 -0.25 0.00 0.28 0.00 0.00 0.00 173.10 173.13 2k3d n LYS 65 N 2.58 0.00 -2.53 2.90 4.76 -0.79 -1.12 118.16 123.96 2k3d n LYS 65 Ca -0.18 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.83 2k3d n LYS 65 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 2k3d n LYS 65 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2k3d n ASP 66 N 1.24 4.92 -2.15 4.39 8.00 -1.26 -4.54 116.55 127.16 2k3d n ASP 66 Ca 0.00 -2.97 0.00 0.00 0.71 0.00 0.00 54.79 52.53 2k3d n ASP 66 Cb 0.00 -1.61 0.00 0.00 -0.02 0.00 0.00 41.12 39.49 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 4.85 0.00 -0.22 2.53 0.31 -0.71 -4.71 118.33 120.39 2k3d n VAL 67 Ca 0.43 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.69 2k3d n VAL 67 Cb 0.42 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.38 2k3d n VAL 67 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2k3d h LYS 68 N 0.00 0.88 -4.39 5.55 1.79 -1.36 -3.42 116.57 115.62 2k3d h LYS 68 Ca 0.00 -0.14 -0.51 0.00 -2.18 0.00 0.00 60.65 57.82 2k3d h LYS 68 Cb 0.80 -0.15 -0.35 0.00 -1.58 0.00 0.00 32.23 30.95 2k3d h LYS 68 CO 0.00 0.72 -0.81 0.42 -1.08 0.00 0.00 179.45 178.70 2k3d s ILE 69 N -5.66 1.06 -0.07 1.86 1.01 -1.25 -4.95 121.20 113.19 2k3d s ILE 69 Ca -0.13 -0.38 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2k3d s ILE 69 Cb 0.13 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.58 2k3d s ILE 69 CO 0.79 0.35 -0.20 0.12 0.00 0.00 0.00 174.94 176.01 2k3d s PHE 70 N 1.10 2.08 0.10 3.97 5.36 -1.26 -0.95 117.98 128.37 2k3d s PHE 70 Ca -0.06 -0.76 0.07 0.00 -0.96 0.00 0.00 56.93 55.21 2k3d s PHE 70 Cb -0.14 -1.42 -0.03 0.00 -0.34 0.00 0.00 43.02 41.09 2k3d s PHE 70 CO -0.01 -0.31 -0.18 -1.12 -1.46 0.00 0.00 175.22 172.14 2k3d s SER 71 N 0.30 2.18 0.06 6.13 0.01 -0.74 -5.00 113.70 116.65 2k3d s SER 71 Ca -0.13 -0.68 0.01 0.00 1.31 0.00 0.00 55.95 56.47 2k3d s SER 71 Cb -0.16 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.94 2k3d s SER 71 CO 0.06 -0.01 -0.06 -0.94 0.41 0.00 0.00 173.24 172.69 2k3d s SER 72 N -1.93 0.84 0.86 2.44 1.04 -1.26 -2.48 113.70 113.22 2k3d s SER 72 Ca 0.04 -0.78 -0.12 0.00 0.48 0.00 0.00 55.95 55.57 2k3d s SER 72 Cb -0.09 0.09 0.14 0.00 0.10 0.00 0.00 66.02 66.25 2k3d s SER 72 CO 0.04 -0.37 1.21 -0.55 0.98 0.00 0.00 173.24 174.55 2k3d s SER 73 N -2.31 3.87 0.19 7.02 0.15 -1.25 -4.79 113.70 116.58 2k3d s SER 73 Ca 0.00 0.40 -0.10 0.00 0.70 0.00 0.00 55.95 56.95 2k3d s SER 73 Cb -0.02 -0.69 0.11 0.00 -1.71 0.00 0.00 66.02 63.71 2k3d s SER 73 CO -0.03 -2.26 1.75 -0.33 1.20 0.00 0.00 173.24 173.57 2k3d h GLU 74 N -1.23 1.01 -0.19 5.44 5.08 -1.96 0.53 114.58 123.26 2k3d h GLU 74 Ca -0.44 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 57.64 2k3d h GLU 74 Cb 1.28 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2k3d h GLU 74 CO 0.50 0.84 -0.27 0.93 -1.00 0.00 0.00 179.01 180.01 2k3d h GLU 75 N 0.96 0.52 -0.63 2.33 3.07 -1.93 -3.12 114.58 115.79 2k3d h GLU 75 Ca 0.23 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.75 2k3d h GLU 75 Cb 0.21 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 2k3d h GLU 75 CO -0.02 0.90 0.26 1.25 -1.40 0.00 0.00 179.01 180.00 2k3d h LEU 76 N 0.18 0.84 -1.70 1.33 5.85 -1.80 -1.99 115.31 118.02 2k3d h LEU 76 Ca 0.02 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.77 2k3d h LEU 76 Cb 0.84 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 2k3d h LEU 76 CO 0.06 0.75 0.45 -0.78 -0.34 0.00 0.00 178.44 178.58 2k3d h ASP 77 N 0.91 0.28 -0.71 1.25 3.58 -0.82 -0.75 116.42 120.15 2k3d h ASP 77 Ca 0.21 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.63 2k3d h ASP 77 Cb 0.17 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2k3d h ASP 77 CO -0.02 0.15 0.24 0.11 -2.88 0.00 0.00 179.24 176.85 2k3d h LYS 78 N 0.31 1.08 -0.50 0.28 1.57 -1.37 -2.62 116.57 115.32 2k3d h LYS 78 Ca 0.32 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 2k3d h LYS 78 Cb 0.82 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2k3d h LYS 78 CO -0.08 0.92 -0.04 0.52 -0.57 0.00 0.00 179.45 180.20 2k3d h MET 79 N 1.03 0.86 -6.71 3.15 2.86 -1.21 -3.42 114.93 111.49 2k3d h MET 79 Ca 0.23 -0.26 -0.53 0.00 -2.06 0.00 0.00 59.70 57.08 2k3d h MET 79 Cb 0.27 -0.08 0.05 0.00 0.06 0.00 0.00 31.60 31.90 2k3d h MET 79 CO -0.01 0.88 0.79 -0.06 1.06 0.00 0.00 176.91 179.58 2k3d s PHE 80 N -4.92 3.02 -0.01 -0.22 0.40 -0.99 -4.83 117.98 110.43 2k3d s PHE 80 Ca -0.10 0.91 0.04 0.00 -0.60 0.00 0.00 56.93 57.18 2k3d s PHE 80 Cb 0.14 -3.85 -0.06 0.00 0.51 0.00 0.00 43.02 39.76 2k3d s PHE 80 CO 0.83 -2.89 0.07 1.04 0.70 0.00 0.00 175.22 174.96 2k3d n GLN 81 N 2.80 0.87 -4.29 0.44 6.02 -1.25 -4.96 117.38 117.00 2k3d n GLN 81 Ca 0.09 -0.03 -0.27 0.00 -0.01 0.00 0.00 57.00 56.78 2k3d n GLN 81 Cb 0.40 -1.09 -0.10 0.00 1.02 0.00 0.00 30.24 30.47 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 177.06 174.22 2k3d s GLU 82 N -2.23 2.00 1.16 -1.09 1.03 -1.26 -5.13 118.70 113.18 2k3d s GLU 82 Ca -0.01 -1.25 -0.16 0.00 0.03 0.00 0.00 54.97 53.58 2k3d s GLU 82 Cb 0.02 -2.15 0.27 0.00 -0.80 0.00 0.00 34.13 31.47 2k3d s GLU 82 CO 0.16 0.45 1.06 -1.25 -1.33 0.00 0.00 175.26 174.34 2k3d s PRO 83 N -2.66 -0.89 0.34 -4.83 0.04 -1.26 -4.95 135.00 120.79 2k3d s PRO 83 Ca 0.23 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 2k3d s PRO 83 Cb -0.09 -1.60 -0.11 0.00 0.04 0.00 0.00 34.50 32.74 2k3d s PRO 83 CO 0.14 -3.57 1.38 1.03 0.04 0.00 0.00 177.00 176.02 2k3d s ARG 84 N -5.01 4.26 0.01 4.56 0.52 -1.26 -5.02 118.95 117.01 2k3d s ARG 84 Ca 0.68 2.36 0.00 0.00 -0.52 0.00 0.00 55.73 58.25 2k3d s ARG 84 Cb -0.17 -3.03 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 2k3d s ARG 84 CO 0.59 -0.33 -0.02 0.21 0.02 0.00 0.00 175.30 175.76 2k3d s LYS 85 N -1.84 0.20 0.59 3.54 2.47 -1.26 -5.15 119.74 118.30 2k3d s LYS 85 Ca 0.51 -0.35 -0.16 0.00 -1.56 0.00 0.00 55.97 54.41 2k3d s LYS 85 Cb -0.42 0.03 -0.04 0.00 -1.46 0.00 0.00 37.83 35.94 2k3d s LYS 85 CO 0.56 -0.02 1.06 0.20 0.16 0.00 0.00 175.35 177.31 2k3d s GLY 86 N -0.81 2.11 0.17 5.54 0.00 -1.26 -4.94 107.32 108.14 2k3d s GLY 86 Ca -0.08 0.38 -0.13 0.00 0.00 0.00 0.00 44.72 44.89 2k3d s GLY 86 CO -0.00 0.70 1.77 -1.82 0.00 0.00 0.00 173.10 173.74 2k3d h TYR 87 N 0.43 0.82 -0.50 1.90 3.20 -1.87 -2.47 116.97 118.48 2k3d h TYR 87 Ca -0.47 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.33 2k3d h TYR 87 Cb 1.22 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2k3d h TYR 87 CO 0.59 0.61 0.13 -0.44 -1.64 0.00 0.00 178.16 177.41 2k3d h ASP 88 N 0.79 0.69 0.15 -2.11 3.32 -1.95 -1.52 116.42 115.79 2k3d h ASP 88 Ca 0.20 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 2k3d h ASP 88 Cb 0.08 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2k3d h ASP 88 CO -0.03 0.68 -0.07 -0.33 -1.72 0.00 0.00 179.24 177.77 2k3d h GLU 89 N 0.73 -0.19 -0.53 3.56 3.07 -1.83 -0.74 114.58 118.65 2k3d h GLU 89 Ca 0.16 0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.97 2k3d h GLU 89 Cb 0.26 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.19 2k3d h GLU 89 CO -0.00 -0.01 0.07 -0.84 -1.40 0.00 0.00 179.01 176.83 2k3d h ILE 90 N -0.34 1.24 -0.51 3.13 3.07 -1.37 -0.30 117.51 122.44 2k3d h ILE 90 Ca -0.02 -0.93 -0.03 0.00 1.55 0.00 0.00 64.86 65.43 2k3d h ILE 90 Cb 0.27 0.76 -0.02 0.00 -0.27 0.00 0.00 36.82 37.56 2k3d h ILE 90 CO 0.03 0.34 0.20 0.25 -1.05 0.00 0.00 178.15 177.92 2k3d h LEU 91 N 0.80 0.70 -0.37 0.16 5.85 -1.09 0.21 115.31 121.57 2k3d h LEU 91 Ca 0.16 -0.17 -0.18 0.00 0.84 0.00 0.00 57.88 58.53 2k3d h LEU 91 Cb 0.39 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2k3d h LEU 91 CO 0.01 0.68 -0.60 -0.33 -0.34 0.00 0.00 178.44 177.86 2k3d h GLU 92 N 0.68 0.70 -0.52 1.25 5.08 -0.88 -3.16 114.58 117.73 2k3d h GLU 92 Ca 0.17 -0.47 -0.12 0.00 -1.00 0.00 0.00 59.36 57.94 2k3d h GLU 92 Cb 0.20 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2k3d h GLU 92 CO -0.01 1.09 -0.15 0.45 -1.00 0.00 0.00 179.01 179.38 2k3d h HIS 93 N 0.52 1.14 -0.18 4.33 3.86 -0.80 -3.38 115.15 120.65 2k3d h HIS 93 Ca -0.00 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 58.93 2k3d h HIS 93 Cb 1.18 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 2k3d h HIS 93 CO 0.06 1.08 0.08 -1.58 0.86 0.00 0.00 177.93 178.43 2k3d s HIS 94 N -4.77 1.22 -0.84 2.45 5.65 0.73 -4.58 115.29 115.14 2k3d s HIS 94 Ca -0.11 2.20 0.25 0.00 0.25 0.00 0.00 55.06 57.65 2k3d s HIS 94 Cb 0.13 -3.37 0.57 0.00 -1.18 0.00 0.00 32.58 28.73 2k3d s HIS 94 CO 0.87 -0.87 1.48 0.72 -0.65 0.00 0.00 174.74 176.28 2k3d n HIS 95 N 19.36 0.29 -3.86 3.88 8.25 -1.26 -4.92 115.22 136.95 2k3d n HIS 95 Ca 0.43 0.08 -0.10 0.00 -0.26 0.00 0.00 57.72 57.87 2k3d n HIS 95 Cb 0.46 -0.50 -0.06 0.00 1.12 0.00 0.00 29.99 31.02 2k3d n HIS 95 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k3d s HIS 96 N -3.07 0.17 0.14 4.41 -3.43 -1.26 -5.05 115.29 107.19 2k3d s HIS 96 Ca 0.09 -0.52 -0.13 0.00 -0.80 0.00 0.00 55.06 53.70 2k3d s HIS 96 Cb 0.16 0.14 -0.00 0.00 -1.43 0.00 0.00 32.58 31.45 2k3d s HIS 96 CO 0.68 -0.81 1.58 1.12 -2.00 0.00 0.00 174.74 175.31 2k3d h HIS 97 N 2.39 0.87 0.00 0.38 2.07 -2.01 -3.54 115.15 115.32 2k3d h HIS 97 Ca -0.30 -0.16 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 2k3d h HIS 97 Cb 1.24 -0.23 0.00 0.00 2.57 0.00 0.00 27.41 31.00 2k3d h HIS 97 CO 0.38 0.85 0.00 0.72 -3.07 0.00 0.00 177.93 176.81