#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 0.58 -0.46 0.00 3.57 -2.06 -2.04 116.94 116.53 2k3d h PHE 13 Ca 0.00 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.41 2k3d h PHE 13 Cb 0.00 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.54 2k3d h PHE 13 CO 0.00 0.48 0.01 0.74 -2.23 0.00 0.00 178.31 177.31 2k3d h PHE 14 N 0.51 0.78 -0.86 0.41 0.04 -2.06 -2.42 116.94 113.35 2k3d h PHE 14 Ca 0.14 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.80 2k3d h PHE 14 Cb 0.11 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 2k3d h PHE 14 CO -0.01 0.72 0.48 -0.97 -0.60 0.00 0.00 178.31 177.93 2k3d h ASN 15 N 0.70 1.06 -0.64 2.17 -1.24 -1.89 -1.05 115.58 114.69 2k3d h ASN 15 Ca 0.14 -0.09 -0.09 0.00 0.71 0.00 0.00 56.30 56.98 2k3d h ASN 15 Cb 0.41 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.17 2k3d h ASN 15 CO 0.02 0.84 0.06 -0.33 -1.29 0.00 0.00 177.43 176.73 2k3d h GLU 16 N 1.19 1.08 -0.54 6.67 4.39 -0.95 -1.74 114.58 124.68 2k3d h GLU 16 Ca 0.30 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 2k3d h GLU 16 Cb 0.01 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2k3d h GLU 16 CO -0.05 1.02 0.12 1.96 -1.16 0.00 0.00 179.01 180.90 2k3d h GLN 17 N 1.00 0.87 -0.71 2.33 1.08 -0.96 -2.45 115.11 116.27 2k3d h GLN 17 Ca 0.19 -0.21 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 2k3d h GLN 17 Cb 0.49 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 2k3d h GLN 17 CO 0.02 0.83 0.20 0.87 -0.95 0.00 0.00 178.83 179.80 2k3d h LYS 18 N 0.76 1.11 -0.56 1.46 1.57 -1.02 -2.11 116.57 117.78 2k3d h LYS 18 Ca 0.17 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 2k3d h LYS 18 Cb 0.35 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2k3d h LYS 18 CO 0.00 0.97 0.37 1.49 -0.57 0.00 0.00 179.45 181.71 2k3d h GLU 19 N 1.05 0.72 -0.60 3.15 4.81 -1.07 -0.15 114.58 122.50 2k3d h GLU 19 Ca 0.23 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.35 2k3d h GLU 19 Cb 0.33 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 2k3d h GLU 19 CO -0.00 0.48 0.15 0.87 -0.73 0.00 0.00 179.01 179.78 2k3d h LYS 20 N 0.75 0.96 -0.51 1.92 1.57 -1.21 -2.13 116.57 117.92 2k3d h LYS 20 Ca 0.21 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 2k3d h LYS 20 Cb -0.07 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 2k3d h LYS 20 CO -0.05 0.88 0.12 0.28 -0.57 0.00 0.00 179.45 180.10 2k3d h VAL 21 N 0.87 1.24 -0.48 0.50 2.07 -0.93 -0.92 116.25 118.60 2k3d h VAL 21 Ca 0.19 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.86 2k3d h VAL 21 Cb 0.34 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2k3d h VAL 21 CO 0.00 0.31 0.31 0.74 0.02 0.00 0.00 177.57 178.96 2k3d h THR 22 N 0.71 1.11 -0.63 2.57 2.02 -0.84 -0.78 112.91 117.07 2k3d h THR 22 Ca 0.16 -0.22 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 2k3d h THR 22 Cb 0.34 0.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.13 2k3d h THR 22 CO 0.00 0.12 0.23 0.25 0.37 0.00 0.00 175.52 176.49 2k3d h LEU 23 N 0.64 0.89 -0.40 2.58 5.85 -1.16 0.37 115.31 124.07 2k3d h LEU 23 Ca 0.18 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.74 2k3d h LEU 23 Cb -0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 2k3d h LEU 23 CO -0.05 0.83 0.23 0.22 -0.34 0.00 0.00 178.44 179.34 2k3d h TYR 24 N 0.90 0.44 0.00 1.25 3.20 -0.55 -1.47 116.97 120.74 2k3d h TYR 24 Ca 0.21 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.05 2k3d h TYR 24 Cb 0.23 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2k3d h TYR 24 CO 0.01 0.26 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.50 2k3d h LEU 25 N 0.48 0.00 -0.13 2.82 3.38 -0.88 -2.52 115.31 118.47 2k3d h LEU 25 Ca 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 2k3d h LEU 25 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k3d h LEU 25 CO -0.07 0.22 0.04 0.50 0.09 0.00 0.00 178.44 179.22 2k3d h LYS 26 N 0.00 0.19 0.14 1.13 3.64 0.80 -0.53 116.57 121.94 2k3d h LYS 26 Ca -0.00 -0.04 -0.29 0.00 -1.27 0.00 0.00 60.65 59.04 2k3d h LYS 26 Cb 0.93 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2k3d h LYS 26 CO 0.03 0.33 -1.39 1.12 -2.27 0.00 0.00 179.45 177.27 2k3d h HIS 27 N 0.02 0.53 -0.68 1.91 2.07 -1.51 -3.29 115.15 114.20 2k3d h HIS 27 Ca 0.04 -0.39 -0.05 0.00 -2.85 0.00 0.00 60.37 57.12 2k3d h HIS 27 Cb 0.22 -0.02 -0.03 0.00 2.57 0.00 0.00 27.41 30.15 2k3d h HIS 27 CO -0.00 1.36 0.21 -0.91 -3.07 0.00 0.00 177.93 175.51 2k3d h ASN 28 N 0.08 0.99 -3.94 3.10 2.35 -1.46 -3.36 115.58 113.34 2k3d h ASN 28 Ca -0.19 -0.21 -0.63 0.00 -0.55 0.00 0.00 56.30 54.72 2k3d h ASN 28 Cb 2.01 -0.26 -0.41 0.00 0.05 0.00 0.00 38.32 39.72 2k3d h ASN 28 CO 0.19 0.93 -0.65 -0.63 -1.65 0.00 0.00 177.43 175.62 2k3d s ILE 29 N -5.41 2.31 0.53 2.81 1.01 -0.21 -2.09 121.20 120.17 2k3d s ILE 29 Ca -0.12 -3.28 0.26 0.00 0.00 0.00 0.00 60.65 57.51 2k3d s ILE 29 Cb 0.14 -2.59 0.41 0.00 0.01 0.00 0.00 42.46 40.42 2k3d s ILE 29 CO 0.83 -0.86 1.98 -0.65 0.00 0.00 0.00 174.94 176.24 2k3d h PRO 30 N 6.36 0.00 -0.01 2.79 0.11 -1.72 0.51 132.00 140.05 2k3d h PRO 30 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2k3d h PRO 30 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2k3d h PRO 30 CO 0.64 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.18 2k3d n ASP 31 N -4.33 0.07 -4.68 -2.05 8.00 -1.26 -4.87 116.55 107.43 2k3d n ASP 31 Ca 0.11 -1.52 -0.45 0.00 0.71 0.00 0.00 54.79 53.64 2k3d n ASP 31 Cb 0.65 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.71 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 -0.70 2.30 -0.03 1.24 7.35 0.18 -4.92 117.46 122.88 2k3d n PHE 32 Ca 0.12 0.31 -0.03 0.00 -0.76 0.00 0.00 57.45 57.08 2k3d n PHE 32 Cb 0.06 -2.53 -0.01 0.00 0.35 0.00 0.00 39.48 37.36 2k3d n PHE 32 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 2k3d n ASN 33 N 2.99 0.78 -3.89 -2.13 2.85 -1.26 -5.08 115.26 109.51 2k3d n ASN 33 Ca 0.15 0.13 -0.10 0.00 -0.11 0.00 0.00 54.58 54.65 2k3d n ASN 33 Cb 0.30 -0.53 -0.06 0.00 1.24 0.00 0.00 39.78 40.73 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 -1.76 0.06 -0.04 -0.44 -1.32 -1.26 -4.97 115.64 105.91 2k3d s THR 34 Ca -0.11 -1.21 0.04 0.00 -1.21 0.00 0.00 61.69 59.20 2k3d s THR 34 Cb 0.01 -1.76 -0.00 0.00 -1.51 0.00 0.00 72.50 69.25 2k3d s THR 34 CO 0.16 -0.25 -0.14 0.54 -2.21 0.00 0.00 174.62 172.71 2k3d s VAL 35 N -3.94 1.21 -0.11 5.08 0.11 -1.26 -2.11 120.40 119.37 2k3d s VAL 35 Ca 0.15 -0.60 0.01 0.00 -2.93 0.00 0.00 61.98 58.61 2k3d s VAL 35 Cb 0.02 -1.05 0.02 0.00 -1.53 0.00 0.00 36.38 33.84 2k3d s VAL 35 CO -0.01 0.36 -0.13 -0.89 -3.33 0.00 0.00 175.10 171.10 2k3d s THR 36 N 0.07 1.36 0.04 5.04 2.01 -0.33 -5.00 115.64 118.82 2k3d s THR 36 Ca -0.03 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 2k3d s THR 36 Cb -0.10 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 71.08 2k3d s THR 36 CO 0.01 0.42 0.34 -0.36 -0.69 0.00 0.00 174.62 174.34 2k3d s PHE 37 N 1.23 3.60 0.00 4.92 0.08 -1.26 -1.80 117.98 124.75 2k3d s PHE 37 Ca -0.02 0.72 0.00 0.00 0.12 0.00 0.00 56.93 57.75 2k3d s PHE 37 Cb -0.14 -2.10 0.00 0.00 -0.57 0.00 0.00 43.02 40.21 2k3d s PHE 37 CO -0.05 0.58 0.81 -2.37 -0.10 0.00 0.00 175.22 174.10 2k3d n THR 38 N 1.13 0.00 -3.50 0.64 5.66 -1.06 -5.00 114.28 112.15 2k3d n THR 38 Ca -0.10 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.85 2k3d n THR 38 Cb 0.53 0.50 -0.06 0.00 -1.55 0.00 0.00 70.33 69.75 2k3d n THR 38 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2k3d s ASN 39 N -0.66 -0.60 -0.35 1.09 2.47 -1.18 -4.99 114.94 110.71 2k3d s ASN 39 Ca 0.00 0.98 -0.00 0.00 0.42 0.00 0.00 52.86 54.26 2k3d s ASN 39 Cb 0.00 1.71 0.13 0.00 -1.45 0.00 0.00 41.25 41.64 2k3d s ASN 39 CO 0.00 -0.25 0.20 -1.61 -3.72 0.00 0.00 177.10 171.72 2k3d s GLU 40 N 2.72 0.61 0.08 0.43 2.02 -1.26 -2.35 118.70 120.95 2k3d s GLU 40 Ca 0.04 -1.32 0.09 0.00 0.02 0.00 0.00 54.97 53.80 2k3d s GLU 40 Cb -0.13 -1.45 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 2k3d s GLU 40 CO -0.16 -1.17 -0.23 -2.00 0.02 0.00 0.00 175.26 171.72 2k3d s GLU 41 N 1.11 1.76 -0.26 1.61 2.12 -1.03 -5.01 118.70 119.00 2k3d s GLU 41 Ca 0.17 -1.16 -0.13 0.00 0.36 0.00 0.00 54.97 54.21 2k3d s GLU 41 Cb -0.22 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.08 2k3d s GLU 41 CO -0.04 0.50 0.30 -0.59 -0.54 0.00 0.00 175.26 174.88 2k3d s PHE 42 N -0.98 3.26 0.15 5.30 -0.71 -1.26 -1.39 117.98 122.35 2k3d s PHE 42 Ca 0.14 0.32 0.04 0.00 -1.04 0.00 0.00 56.93 56.39 2k3d s PHE 42 Cb -0.10 -2.48 -0.04 0.00 -1.21 0.00 0.00 43.02 39.19 2k3d s PHE 42 CO 0.06 -0.16 0.19 -0.80 -1.34 0.00 0.00 175.22 173.16 2k3d s ASN 43 N 1.57 5.82 0.30 1.98 0.01 0.17 -4.96 114.94 119.83 2k3d s ASN 43 Ca 0.12 -0.01 0.06 0.00 -0.71 0.00 0.00 52.86 52.32 2k3d s ASN 43 Cb -0.16 -1.62 0.77 0.00 0.41 0.00 0.00 41.25 40.66 2k3d s ASN 43 CO 0.10 0.07 1.75 -0.65 -1.51 0.00 0.00 177.10 176.85 2k3d h PRO 44 N 2.37 0.62 -0.46 -0.60 0.11 -2.01 0.63 132.00 132.66 2k3d h PRO 44 Ca -0.48 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.49 2k3d h PRO 44 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.15 2k3d h PRO 44 CO 0.65 0.41 -0.13 0.82 -0.21 0.00 0.00 178.00 179.54 2k3d h ILE 45 N 0.64 1.27 0.00 4.15 2.04 -2.03 -3.48 117.51 120.09 2k3d h ILE 45 Ca 0.59 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 65.19 2k3d h ILE 45 Cb 1.01 1.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.22 2k3d h ILE 45 CO -0.43 0.43 0.00 0.61 0.00 0.00 0.00 178.15 178.76 2k3d n GLY 46 N -0.19 0.27 3.23 5.37 0.00 0.21 -5.12 105.19 108.97 2k3d n GLY 46 Ca -0.00 0.42 -0.20 0.00 0.00 0.00 0.00 46.02 46.24 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 2.34 1.38 -0.12 -0.61 -4.36 -1.26 0.43 121.20 119.00 2k3d s ILE 47 Ca 0.00 -1.51 0.01 0.00 -0.26 0.00 0.00 60.65 58.89 2k3d s ILE 47 Cb 0.00 -1.37 0.02 0.00 1.25 0.00 0.00 42.46 42.36 2k3d s ILE 47 CO 0.00 -0.22 -0.12 -0.44 0.24 0.00 0.00 174.94 174.40 2k3d s SER 48 N -2.00 2.33 -0.08 4.36 0.01 -0.48 -3.58 113.70 114.26 2k3d s SER 48 Ca 0.04 -0.38 0.04 0.00 1.31 0.00 0.00 55.95 56.95 2k3d s SER 48 Cb -0.09 -0.99 0.00 0.00 0.21 0.00 0.00 66.02 65.16 2k3d s SER 48 CO 0.03 -0.05 -0.20 -0.63 0.41 0.00 0.00 173.24 172.80 2k3d s ILE 49 N 1.35 1.73 0.07 1.44 1.01 -0.55 -2.46 121.20 123.80 2k3d s ILE 49 Ca -0.00 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.87 2k3d s ILE 49 Cb -0.14 -1.51 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 2k3d s ILE 49 CO -0.06 0.49 -0.15 -0.62 0.00 0.00 0.00 174.94 174.60 2k3d s ASP 50 N 0.37 1.81 0.00 3.58 2.15 -0.99 -0.85 116.67 122.74 2k3d s ASP 50 Ca -0.15 -0.62 0.00 0.00 0.43 0.00 0.00 52.55 52.21 2k3d s ASP 50 Cb -0.16 -0.06 0.00 0.00 -0.30 0.00 0.00 42.92 42.39 2k3d s ASP 50 CO 0.06 -0.05 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 2k3d n GLY 51 N 1.27 0.98 3.20 2.66 0.00 -0.99 -2.56 105.19 109.75 2k3d n GLY 51 Ca -0.21 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.79 0.68 0.26 1.61 -0.85 -0.74 -1.43 117.35 113.08 2k3d s TYR 52 Ca 0.00 -1.06 0.11 0.00 -0.52 0.00 0.00 57.07 55.60 2k3d s TYR 52 Cb 0.00 -0.33 -0.05 0.00 0.38 0.00 0.00 41.96 41.96 2k3d s TYR 52 CO 0.00 -0.57 -0.20 0.96 -1.52 0.00 0.00 175.55 174.22 2k3d s ILE 53 N -4.01 2.35 -1.53 -3.49 -4.36 -1.08 -1.19 121.20 107.89 2k3d s ILE 53 Ca 0.20 -2.34 -0.03 0.00 -0.26 0.00 0.00 60.65 58.22 2k3d s ILE 53 Cb 0.06 -2.24 0.01 0.00 1.25 0.00 0.00 42.46 41.54 2k3d s ILE 53 CO 0.00 -0.40 0.31 0.59 0.24 0.00 0.00 174.94 175.68 2k3d n ASN 54 N -0.49 -5.48 -2.85 4.36 4.13 -0.90 -1.62 115.26 112.41 2k3d n ASN 54 Ca -0.06 -0.14 -0.14 0.00 1.68 0.00 0.00 54.58 55.92 2k3d n ASN 54 Cb 0.60 -4.51 -0.01 0.00 -1.54 0.00 0.00 39.78 34.32 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 -2.23 -2.82 -4.26 6.41 3.02 -1.26 -4.89 115.26 109.23 2k3d n ASN 55 Ca -0.15 0.03 -0.38 0.00 -0.03 0.00 0.00 54.58 54.05 2k3d n ASN 55 Cb 0.63 -2.43 -0.12 0.00 -0.61 0.00 0.00 39.78 37.26 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 -2.29 5.35 0.39 6.41 1.01 -0.64 -4.96 116.67 121.94 2k3d s ASP 56 Ca 0.16 -1.28 0.07 0.00 0.71 0.00 0.00 52.55 52.21 2k3d s ASP 56 Cb -0.09 -1.88 0.81 0.00 1.01 0.00 0.00 42.92 42.77 2k3d s ASP 56 CO 0.20 -0.38 2.02 0.11 0.21 0.00 0.00 175.17 177.33 2k3d h LYS 57 N 8.23 0.63 -0.73 8.23 1.79 -1.90 -1.00 116.57 131.81 2k3d h LYS 57 Ca -0.22 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.18 2k3d h LYS 57 Cb 1.08 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.55 2k3d h LYS 57 CO 0.63 0.41 0.32 -0.91 -1.08 0.00 0.00 179.45 178.83 2k3d h ASN 58 N 0.65 0.97 -1.19 0.86 -0.26 -1.95 -3.29 115.58 111.36 2k3d h ASN 58 Ca 0.22 -0.12 -0.71 0.00 -0.56 0.00 0.00 56.30 55.13 2k3d h ASN 58 Cb 0.09 -0.25 -0.11 0.00 -1.06 0.00 0.00 38.32 36.99 2k3d h ASN 58 CO -0.06 0.84 2.07 0.18 -1.06 0.00 0.00 177.43 179.40 2k3d n LEU 59 N -4.31 5.48 -4.81 1.61 4.77 -0.38 -4.82 117.00 114.54 2k3d n LEU 59 Ca 0.07 -4.19 -0.22 0.00 -0.03 0.00 0.00 56.01 51.64 2k3d n LEU 59 Cb 0.16 -1.67 -0.05 0.00 -2.33 0.00 0.00 43.42 39.53 2k3d n LEU 59 CO 0.39 0.59 -0.15 -0.55 -1.33 0.00 0.00 177.39 176.35 2k3d s SER 60 N 3.30 5.23 0.12 -1.43 0.15 -1.24 -2.64 113.70 117.19 2k3d s SER 60 Ca 0.48 -0.46 -0.16 0.00 0.70 0.00 0.00 55.95 56.52 2k3d s SER 60 Cb 0.04 -1.09 0.03 0.00 -1.71 0.00 0.00 66.02 63.30 2k3d s SER 60 CO 0.02 -0.20 0.39 0.72 1.20 0.00 0.00 173.24 175.37 2k3d s PHE 61 N -2.26 -0.18 -0.04 3.44 -0.12 -0.52 -4.01 117.98 114.29 2k3d s PHE 61 Ca 0.37 -0.13 0.03 0.00 -0.05 0.00 0.00 56.93 57.14 2k3d s PHE 61 Cb -0.06 0.23 0.00 0.00 -0.63 0.00 0.00 43.02 42.57 2k3d s PHE 61 CO 0.25 -0.68 -0.12 0.99 -0.05 0.00 0.00 175.22 175.60 2k3d s THR 62 N -3.75 1.08 0.01 -4.49 2.01 0.53 -2.35 115.64 108.69 2k3d s THR 62 Ca 0.03 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 61.57 2k3d s THR 62 Cb 0.02 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 2k3d s THR 62 CO -0.12 0.33 -0.13 0.00 -0.69 0.00 0.00 174.62 174.01 2k3d s ALA 63 N 0.30 1.09 -0.11 7.40 0.00 -0.03 -0.71 121.76 129.70 2k3d s ALA 63 Ca -0.07 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.24 2k3d s ALA 63 Cb -0.12 -0.22 0.02 0.00 0.00 0.00 0.00 23.12 22.79 2k3d s ALA 63 CO 0.02 0.24 -0.15 0.20 0.00 0.00 0.00 175.76 176.07 2k3d s GLY 64 N -0.68 1.03 -0.19 0.00 0.00 0.87 -1.48 107.32 106.87 2k3d s GLY 64 Ca 0.03 -0.73 -0.03 0.00 0.00 0.00 0.00 44.72 43.99 2k3d s GLY 64 CO 0.00 0.28 0.06 0.28 0.00 0.00 0.00 173.10 173.72 2k3d n LYS 65 N 4.28 -2.93 0.00 2.90 5.02 -1.23 -2.38 118.16 123.80 2k3d n LYS 65 Ca -0.19 2.42 0.00 0.00 -2.02 0.00 0.00 58.31 58.52 2k3d n LYS 65 Cb 0.51 -4.03 0.00 0.00 -0.02 0.00 0.00 35.03 31.49 2k3d n LYS 65 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2k3d n ASP 66 N 1.23 0.00 -0.34 4.39 8.00 -1.26 -0.94 116.55 127.63 2k3d n ASP 66 Ca -0.10 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.41 2k3d n ASP 66 Cb 0.25 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.00 0.27 -0.16 2.53 0.31 -1.26 -4.69 118.33 115.33 2k3d n VAL 67 Ca 0.00 -0.31 -0.08 0.00 -0.01 0.00 0.00 64.34 63.94 2k3d n VAL 67 Cb 0.00 0.50 0.01 0.00 -0.91 0.00 0.00 33.84 33.44 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 0.66 -5.06 5.55 1.63 -1.06 -3.41 116.57 114.88 2k3d h LYS 68 Ca 0.00 -0.08 -0.64 0.00 -0.85 0.00 0.00 60.65 59.08 2k3d h LYS 68 Cb 1.25 -0.13 -0.34 0.00 -0.60 0.00 0.00 32.23 32.41 2k3d h LYS 68 CO 0.00 0.51 -0.86 0.42 -3.45 0.00 0.00 179.45 176.07 2k3d s ILE 69 N -5.87 1.86 -0.02 2.00 1.01 -1.00 -5.00 121.20 114.18 2k3d s ILE 69 Ca -0.13 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.66 2k3d s ILE 69 Cb 0.11 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.96 2k3d s ILE 69 CO 0.75 0.51 0.00 0.12 0.00 0.00 0.00 174.94 176.32 2k3d s PHE 70 N 0.79 0.22 0.01 3.97 5.36 -1.26 -0.09 117.98 126.97 2k3d s PHE 70 Ca -0.09 0.03 0.00 0.00 -0.96 0.00 0.00 56.93 55.91 2k3d s PHE 70 Cb -0.16 -0.31 -0.01 0.00 -0.34 0.00 0.00 43.02 42.20 2k3d s PHE 70 CO 0.00 -0.10 -0.02 -1.54 -1.46 0.00 0.00 175.22 172.10 2k3d s SER 71 N 0.83 0.23 0.26 6.13 1.04 0.11 -5.00 113.70 117.30 2k3d s SER 71 Ca -0.08 -0.19 -0.15 0.00 0.48 0.00 0.00 55.95 56.01 2k3d s SER 71 Cb -0.11 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2k3d s SER 71 CO -0.02 -0.09 0.54 -0.94 0.98 0.00 0.00 173.24 173.72 2k3d s SER 72 N -0.53 -0.12 0.90 7.02 1.04 -1.26 -0.34 113.70 120.40 2k3d s SER 72 Ca -0.05 -0.86 -0.13 0.00 0.48 0.00 0.00 55.95 55.39 2k3d s SER 72 Cb -0.04 0.63 0.13 0.00 0.10 0.00 0.00 66.02 66.85 2k3d s SER 72 CO -0.00 -1.21 1.18 -0.94 0.98 0.00 0.00 173.24 173.25 2k3d s SER 73 N -3.00 3.66 0.27 7.02 1.04 -1.26 -4.86 113.70 116.57 2k3d s SER 73 Ca 0.20 0.78 0.01 0.00 0.48 0.00 0.00 55.95 57.42 2k3d s SER 73 Cb -0.02 -1.23 0.38 0.00 0.10 0.00 0.00 66.02 65.25 2k3d s SER 73 CO 0.09 -2.44 1.73 -0.33 0.98 0.00 0.00 173.24 173.27 2k3d h GLU 74 N -1.43 0.58 0.62 4.02 4.39 -1.97 -1.77 114.58 119.03 2k3d h GLU 74 Ca -0.48 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.00 2k3d h GLU 74 Cb 1.32 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.92 2k3d h GLU 74 CO 0.58 0.73 -0.38 0.93 -1.16 0.00 0.00 179.01 179.71 2k3d h GLU 75 N 0.52 -0.91 -0.82 2.33 3.07 -1.93 -2.32 114.58 114.51 2k3d h GLU 75 Ca 0.08 0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 59.00 2k3d h GLU 75 Cb 0.61 0.21 -0.04 0.00 -0.84 0.00 0.00 28.75 28.69 2k3d h GLU 75 CO 0.04 -0.61 0.48 1.25 -1.40 0.00 0.00 179.01 178.77 2k3d h LEU 76 N -0.95 0.99 -1.16 1.33 5.85 -1.87 -1.93 115.31 117.57 2k3d h LEU 76 Ca -0.08 -0.06 0.19 0.00 0.84 0.00 0.00 57.88 58.77 2k3d h LEU 76 Cb 0.77 -0.25 -0.09 0.00 0.37 0.00 0.00 40.66 41.45 2k3d h LEU 76 CO 0.08 0.77 0.61 -0.78 -0.34 0.00 0.00 178.44 178.78 2k3d h ASP 77 N 1.13 0.68 -0.08 1.25 1.82 -0.91 0.21 116.42 120.51 2k3d h ASP 77 Ca 0.29 0.08 -0.00 0.00 -0.39 0.00 0.00 57.03 57.01 2k3d h ASP 77 Cb -0.03 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 39.93 2k3d h ASP 77 CO -0.05 0.26 0.05 0.11 -1.61 0.00 0.00 179.24 177.99 2k3d h LYS 78 N 0.68 0.14 -0.40 0.28 1.57 -0.82 -1.75 116.57 116.26 2k3d h LYS 78 Ca 0.54 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 59.26 2k3d h LYS 78 Cb 0.96 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 2k3d h LYS 78 CO -0.31 0.11 0.02 0.52 -0.57 0.00 0.00 179.45 179.22 2k3d h MET 79 N 0.14 0.63 -6.56 3.15 2.86 -0.66 -3.43 114.93 111.07 2k3d h MET 79 Ca 0.04 -0.14 -0.58 0.00 -2.06 0.00 0.00 59.70 56.95 2k3d h MET 79 Cb 0.02 -0.09 0.07 0.00 0.06 0.00 0.00 31.60 31.67 2k3d h MET 79 CO -0.01 0.64 0.69 1.19 1.06 0.00 0.00 176.91 180.49 2k3d n PHE 80 N -4.26 2.22 0.00 -0.22 3.01 -0.66 -4.67 117.46 112.88 2k3d n PHE 80 Ca 0.02 0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.85 2k3d n PHE 80 Cb 0.25 -2.49 0.00 0.00 -0.01 0.00 0.00 39.48 37.23 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 2.57 0.00 -3.12 -1.08 7.27 -0.89 -4.99 117.38 117.14 2k3d n GLN 81 Ca 0.14 0.10 -0.27 0.00 0.07 0.00 0.00 57.00 57.04 2k3d n GLN 81 Cb 0.30 -0.54 -0.02 0.00 2.41 0.00 0.00 30.24 32.39 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 -0.84 3.57 0.90 3.69 -1.05 -1.26 -5.05 118.70 118.66 2k3d s GLU 82 Ca 0.00 -0.03 -0.15 0.00 -0.15 0.00 0.00 54.97 54.64 2k3d s GLU 82 Cb 0.00 -2.56 -0.06 0.00 -0.44 0.00 0.00 34.13 31.07 2k3d s GLU 82 CO 0.00 0.06 -0.08 -2.30 0.95 0.00 0.00 175.26 173.88 2k3d n PRO 83 N -1.63 -0.07 -2.15 -4.83 -0.02 -1.26 -4.87 135.00 120.17 2k3d n PRO 83 Ca -0.02 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.07 2k3d n PRO 83 Cb 0.55 -1.46 -0.02 0.00 -0.02 0.00 0.00 33.50 32.55 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 -2.69 4.22 0.04 -0.52 0.52 -1.26 -5.03 118.95 114.23 2k3d s ARG 84 Ca 0.52 2.12 0.04 0.00 -0.52 0.00 0.00 55.73 57.89 2k3d s ARG 84 Cb -0.24 -2.93 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 2k3d s ARG 84 CO 0.72 -0.27 -0.13 0.15 0.02 0.00 0.00 175.30 175.79 2k3d s LYS 85 N -1.97 0.87 0.81 3.54 1.02 -1.26 -5.13 119.74 117.62 2k3d s LYS 85 Ca 0.52 -0.72 -0.13 0.00 0.02 0.00 0.00 55.97 55.65 2k3d s LYS 85 Cb -0.37 -0.85 0.07 0.00 -0.52 0.00 0.00 37.83 36.16 2k3d s LYS 85 CO 0.49 0.21 1.14 0.41 -0.92 0.00 0.00 175.35 176.68 2k3d n GLY 86 N 1.93 -0.15 0.17 -3.33 0.00 -1.26 -4.75 105.19 97.80 2k3d n GLY 86 Ca -0.18 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.89 0.50 -0.13 1.61 3.20 -1.99 -1.35 116.97 117.92 2k3d h TYR 87 Ca -0.46 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.31 2k3d h TYR 87 Cb 1.30 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.39 2k3d h TYR 87 CO 0.45 0.34 -0.39 0.38 -1.64 0.00 0.00 178.16 177.31 2k3d h ASP 88 N 0.52 0.30 -0.42 -2.11 2.03 -2.00 -2.78 116.42 111.97 2k3d h ASP 88 Ca 0.14 -0.12 -0.07 0.00 -0.73 0.00 0.00 57.03 56.25 2k3d h ASP 88 Cb -0.02 -0.08 -0.01 0.00 -0.83 0.00 0.00 39.33 38.38 2k3d h ASP 88 CO -0.03 0.67 -0.02 -0.08 -1.03 0.00 0.00 179.24 178.75 2k3d h GLU 89 N 0.25 0.75 -0.45 4.15 4.81 -1.75 -2.22 114.58 120.11 2k3d h GLU 89 Ca 0.02 -0.25 -0.10 0.00 -0.13 0.00 0.00 59.36 58.91 2k3d h GLU 89 Cb 0.80 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 2k3d h GLU 89 CO 0.06 0.83 -0.12 -0.84 -0.73 0.00 0.00 179.01 178.22 2k3d h ILE 90 N 0.58 1.26 -0.68 2.32 3.07 -1.19 -1.24 117.51 121.63 2k3d h ILE 90 Ca 0.12 -1.20 -0.03 0.00 1.55 0.00 0.00 64.86 65.30 2k3d h ILE 90 Cb 0.51 1.04 -0.03 0.00 -0.27 0.00 0.00 36.82 38.07 2k3d h ILE 90 CO 0.02 0.41 0.31 -0.07 -1.05 0.00 0.00 178.15 177.78 2k3d h LEU 91 N 0.74 0.90 -0.57 0.16 3.38 -1.34 -2.53 115.31 116.05 2k3d h LEU 91 Ca 0.12 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2k3d h LEU 91 Cb 0.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 2k3d h LEU 91 CO 0.04 0.79 -0.04 -0.33 0.09 0.00 0.00 178.44 178.99 2k3d h GLU 92 N 0.94 1.04 0.00 1.13 5.08 -1.13 -3.45 114.58 118.19 2k3d h GLU 92 Ca 0.23 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2k3d h GLU 92 Cb 0.14 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k3d h GLU 92 CO -0.03 1.04 0.00 1.58 -1.00 0.00 0.00 179.01 180.61 2k3d n HIS 93 N -4.19 0.00 -1.45 4.33 -0.00 -0.49 -4.77 115.22 108.65 2k3d n HIS 93 Ca 0.02 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.39 2k3d n HIS 93 Cb 0.37 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.45 2k3d n HIS 93 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k3d s HIS 94 N 0.00 1.98 0.18 1.57 5.65 -1.26 -5.02 115.29 118.39 2k3d s HIS 94 Ca 0.00 1.58 -0.11 0.00 0.25 0.00 0.00 55.06 56.78 2k3d s HIS 94 Cb 0.00 -3.56 -0.00 0.00 -1.18 0.00 0.00 32.58 27.84 2k3d s HIS 94 CO 0.00 -2.80 0.35 -3.38 -0.65 0.00 0.00 174.74 168.26 2k3d s HIS 95 N -1.82 0.32 -1.26 3.88 -3.43 -1.26 -5.07 115.29 106.65 2k3d s HIS 95 Ca 0.77 -0.68 -0.15 0.00 -0.80 0.00 0.00 55.06 54.20 2k3d s HIS 95 Cb -0.32 0.04 0.12 0.00 -1.43 0.00 0.00 32.58 31.00 2k3d s HIS 95 CO 0.45 -0.79 1.62 1.58 -2.00 0.00 0.00 174.74 175.60 2k3d n HIS 96 N -0.26 4.68 0.00 0.38 -0.00 -1.26 -4.88 115.22 113.88 2k3d n HIS 96 Ca -0.07 -3.09 0.00 0.00 -0.00 0.00 0.00 57.72 54.56 2k3d n HIS 96 Cb 0.63 -2.39 0.00 0.00 -0.00 0.00 0.00 29.99 28.23 2k3d n HIS 96 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k3d n HIS 97 N 6.74 0.00 -1.00 1.57 -0.00 -1.26 -5.35 115.22 115.92 2k3d n HIS 97 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 2k3d n HIS 97 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.43 2k3d n HIS 97 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92