#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 -0.57 0.00 0.04 -2.07 -2.16 116.94 112.19 2k3d h PHE 13 Ca 0.00 0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.81 2k3d h PHE 13 Cb 0.00 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.12 2k3d h PHE 13 CO 0.00 0.14 0.38 0.74 -0.60 0.00 0.00 178.31 178.96 2k3d h PHE 14 N 0.00 0.62 -0.83 -0.55 0.04 -2.04 -1.34 116.94 112.84 2k3d h PHE 14 Ca -0.00 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.75 2k3d h PHE 14 Cb 0.26 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 38.17 2k3d h PHE 14 CO 0.00 0.35 0.40 -0.97 -0.60 0.00 0.00 178.31 177.49 2k3d h ASN 15 N 0.63 1.09 -0.59 2.17 -0.73 -1.83 -1.83 115.58 114.49 2k3d h ASN 15 Ca 0.23 -0.13 -0.08 0.00 1.87 0.00 0.00 56.30 58.18 2k3d h ASN 15 Cb 0.13 -0.28 -0.02 0.00 0.27 0.00 0.00 38.32 38.42 2k3d h ASN 15 CO -0.06 0.92 0.05 -0.33 -0.37 0.00 0.00 177.43 177.63 2k3d h GLU 16 N 1.18 1.03 -0.64 6.67 5.08 -1.35 -2.44 114.58 124.11 2k3d h GLU 16 Ca 0.29 -0.29 -0.09 0.00 -1.00 0.00 0.00 59.36 58.26 2k3d h GLU 16 Cb 0.12 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2k3d h GLU 16 CO -0.04 0.98 0.05 1.96 -1.00 0.00 0.00 179.01 180.96 2k3d h GLN 17 N 0.96 1.09 -0.73 2.33 7.50 -1.02 -2.53 115.11 122.70 2k3d h GLN 17 Ca 0.18 -0.32 -0.05 0.00 0.50 0.00 0.00 58.65 58.95 2k3d h GLN 17 Cb 0.49 -0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.87 2k3d h GLN 17 CO 0.02 1.03 0.24 0.87 -1.50 0.00 0.00 178.83 179.50 2k3d h LYS 18 N 1.00 1.13 -0.63 1.46 1.57 -1.12 -2.15 116.57 117.84 2k3d h LYS 18 Ca 0.19 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.69 2k3d h LYS 18 Cb 0.51 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 2k3d h LYS 18 CO 0.02 0.96 0.22 1.49 -0.57 0.00 0.00 179.45 181.57 2k3d h GLU 19 N 1.08 0.96 -0.60 3.15 4.81 -1.23 -1.68 114.58 121.06 2k3d h GLU 19 Ca 0.24 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.23 2k3d h GLU 19 Cb 0.29 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 2k3d h GLU 19 CO -0.01 0.83 0.18 0.87 -0.73 0.00 0.00 179.01 180.15 2k3d h LYS 20 N 0.89 0.94 -0.49 1.92 1.57 -1.20 -2.08 116.57 118.11 2k3d h LYS 20 Ca 0.20 -0.21 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2k3d h LYS 20 Cb 0.25 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 2k3d h LYS 20 CO -0.01 0.84 0.09 0.28 -0.57 0.00 0.00 179.45 180.08 2k3d h VAL 21 N 0.86 1.25 -0.52 0.50 2.07 -1.18 -2.20 116.25 117.03 2k3d h VAL 21 Ca 0.19 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 2k3d h VAL 21 Cb 0.30 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 2k3d h VAL 21 CO -0.01 0.32 0.31 0.74 0.02 0.00 0.00 177.57 178.96 2k3d h THR 22 N 0.69 1.16 -0.60 2.57 2.02 -1.12 -1.70 112.91 115.93 2k3d h THR 22 Ca 0.15 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 2k3d h THR 22 Cb 0.38 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 2k3d h THR 22 CO 0.01 0.17 0.28 0.25 0.37 0.00 0.00 175.52 176.59 2k3d h LEU 23 N 0.70 0.79 -0.68 2.58 5.85 -1.23 -2.21 115.31 121.11 2k3d h LEU 23 Ca 0.19 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2k3d h LEU 23 Cb -0.00 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 2k3d h LEU 23 CO -0.03 0.71 0.40 0.22 -0.34 0.00 0.00 178.44 179.40 2k3d h TYR 24 N 0.82 0.91 -0.67 1.25 3.20 -1.07 -2.54 116.97 118.86 2k3d h TYR 24 Ca 0.20 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 2k3d h TYR 24 Cb 0.14 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 2k3d h TYR 24 CO 0.00 0.62 0.30 -0.07 -1.64 0.00 0.00 178.16 177.37 2k3d h LEU 25 N 0.93 0.90 -0.86 2.82 3.38 -1.00 -2.45 115.31 119.03 2k3d h LEU 25 Ca 0.24 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2k3d h LEU 25 Cb -0.02 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2k3d h LEU 25 CO -0.04 0.80 0.45 0.11 0.09 0.00 0.00 178.44 179.85 2k3d h LYS 26 N 0.94 1.22 -0.62 1.13 1.57 -1.08 1.15 116.57 120.88 2k3d h LYS 26 Ca 0.23 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 2k3d h LYS 26 Cb 0.16 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 2k3d h LYS 26 CO -0.02 0.91 0.04 0.45 -0.57 0.00 0.00 179.45 180.25 2k3d h HIS 27 N 1.22 1.15 -0.01 -1.35 3.86 -1.18 -2.77 115.15 116.06 2k3d h HIS 27 Ca 0.30 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2k3d h HIS 27 Cb 0.06 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.23 2k3d h HIS 27 CO 0.01 1.00 -0.33 0.09 0.86 0.00 0.00 177.93 179.57 2k3d n ASN 28 N -4.21 1.41 -3.42 2.45 3.02 -0.95 -4.65 115.26 108.91 2k3d n ASN 28 Ca 0.03 -1.14 -0.24 0.00 -0.03 0.00 0.00 54.58 53.21 2k3d n ASN 28 Cb 0.33 0.25 -0.10 0.00 -0.61 0.00 0.00 39.78 39.64 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 -2.47 -0.09 -0.30 2.41 1.01 0.39 -2.27 121.20 119.88 2k3d s ILE 29 Ca 0.23 -1.31 0.27 0.00 0.00 0.00 0.00 60.65 59.84 2k3d s ILE 29 Cb 0.19 -0.93 0.30 0.00 0.01 0.00 0.00 42.46 42.04 2k3d s ILE 29 CO 0.53 -0.79 1.81 1.55 0.00 0.00 0.00 174.94 178.04 2k3d h PRO 30 N 7.18 0.00 -0.21 2.79 0.13 -1.77 -2.52 132.00 137.60 2k3d h PRO 30 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 2k3d h PRO 30 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 2k3d h PRO 30 CO 0.25 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.77 2k3d n ASP 31 N -2.56 2.13 -4.60 1.44 8.00 -1.26 -4.95 116.55 114.75 2k3d n ASP 31 Ca 0.02 -1.78 -0.46 0.00 0.71 0.00 0.00 54.79 53.28 2k3d n ASP 31 Cb 0.28 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.23 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 0.63 1.38 -0.01 1.24 7.35 -0.95 -4.92 117.46 122.19 2k3d n PHE 32 Ca 0.17 0.67 -0.03 0.00 -0.76 0.00 0.00 57.45 57.50 2k3d n PHE 32 Cb 0.41 -2.28 -0.01 0.00 0.35 0.00 0.00 39.48 37.95 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 1.54 0.97 -3.77 -2.13 2.85 -1.26 -5.09 115.26 108.38 2k3d n ASN 33 Ca 0.11 0.15 -0.11 0.00 -0.11 0.00 0.00 54.58 54.62 2k3d n ASN 33 Cb 0.30 -0.41 -0.07 0.00 1.24 0.00 0.00 39.78 40.84 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 -1.92 0.10 -0.05 -0.44 -1.32 -1.26 -4.97 115.64 105.77 2k3d s THR 34 Ca -0.08 -0.80 0.03 0.00 -1.21 0.00 0.00 61.69 59.64 2k3d s THR 34 Cb 0.01 -1.06 0.00 0.00 -1.51 0.00 0.00 72.50 69.94 2k3d s THR 34 CO 0.12 -0.44 -0.15 0.54 -2.21 0.00 0.00 174.62 172.48 2k3d s VAL 35 N -3.03 1.30 -0.19 5.08 0.11 -1.26 -2.01 120.40 120.40 2k3d s VAL 35 Ca -0.02 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.42 2k3d s VAL 35 Cb 0.01 -1.14 0.02 0.00 -1.53 0.00 0.00 36.38 33.74 2k3d s VAL 35 CO -0.06 0.38 -0.18 -0.89 -3.33 0.00 0.00 175.10 171.02 2k3d s THR 36 N 0.26 2.25 -0.24 5.04 2.01 -0.34 -5.00 115.64 119.63 2k3d s THR 36 Ca -0.08 -0.88 -0.17 0.00 0.31 0.00 0.00 61.69 60.87 2k3d s THR 36 Cb -0.13 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 2k3d s THR 36 CO 0.03 0.52 0.46 -0.36 -0.69 0.00 0.00 174.62 174.58 2k3d s PHE 37 N 1.32 3.31 -1.63 4.92 0.08 -1.26 -1.88 117.98 122.83 2k3d s PHE 37 Ca 0.05 0.61 0.13 0.00 0.12 0.00 0.00 56.93 57.84 2k3d s PHE 37 Cb -0.13 -2.64 0.11 0.00 -0.57 0.00 0.00 43.02 39.79 2k3d s PHE 37 CO -0.12 -0.18 0.93 0.25 -0.10 0.00 0.00 175.22 176.00 2k3d n THR 38 N 4.85 0.02 0.00 0.64 -2.24 0.45 -4.97 114.28 113.03 2k3d n THR 38 Ca -0.06 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 2k3d n THR 38 Cb 0.50 1.26 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 2k3d n THR 38 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2k3d n ASN 39 N 0.74 0.00 0.00 3.42 5.15 -0.61 -4.81 115.26 119.14 2k3d n ASN 39 Ca 0.08 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.06 2k3d n ASN 39 Cb 0.33 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.58 2k3d n ASN 39 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 2k3d n GLU 40 N 0.00 0.00 -1.67 1.20 0.00 -1.26 -1.22 120.64 117.69 2k3d n GLU 40 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 2k3d n GLU 40 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 31.44 31.49 2k3d n GLU 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.13 175.22 2k3d n GLU 41 N 0.00 1.13 -3.31 5.31 2.13 -1.26 -4.98 120.64 119.65 2k3d n GLU 41 Ca 0.00 0.43 -0.10 0.00 0.66 0.00 0.00 57.16 58.15 2k3d n GLU 41 Cb 0.00 -2.35 -0.06 0.00 0.27 0.00 0.00 31.44 29.30 2k3d n GLU 41 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 2k3d s PHE 42 N -1.42 -0.88 -0.50 4.31 5.36 -1.26 -4.19 117.98 119.39 2k3d s PHE 42 Ca 0.77 0.01 -0.39 0.00 -0.96 0.00 0.00 56.93 56.36 2k3d s PHE 42 Cb -0.41 -0.19 -0.16 0.00 -0.34 0.00 0.00 43.02 41.92 2k3d s PHE 42 CO 0.46 -1.00 2.23 0.09 -1.46 0.00 0.00 175.22 175.53 2k3d n ASN 43 N 5.00 1.21 -0.24 6.13 4.13 -1.26 -4.71 115.26 125.51 2k3d n ASN 43 Ca 0.04 0.50 0.23 0.00 1.68 0.00 0.00 54.58 57.03 2k3d n ASN 43 Cb 0.49 -1.04 0.59 0.00 -1.54 0.00 0.00 39.78 38.27 2k3d n ASN 43 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 2k3d h PRO 44 N 10.78 0.25 -0.00 3.52 0.11 -1.98 0.89 132.00 145.57 2k3d h PRO 44 Ca -0.16 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.94 2k3d h PRO 44 Cb 1.37 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.42 2k3d h PRO 44 CO 1.10 0.17 -0.15 -0.89 -0.21 0.00 0.00 178.00 178.01 2k3d n ILE 45 N -4.44 0.00 0.00 4.15 2.08 -1.26 -4.94 119.36 114.95 2k3d n ILE 45 Ca 0.20 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.44 2k3d n ILE 45 Cb 0.83 0.01 0.00 0.00 -0.75 0.00 0.00 39.64 39.73 2k3d n ILE 45 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2k3d n GLY 46 N 1.31 1.97 3.07 7.39 0.00 0.31 -5.17 105.19 114.07 2k3d n GLY 46 Ca 0.13 0.19 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 1.54 0.61 -0.03 -0.61 -4.36 -1.21 -4.20 121.20 112.95 2k3d s ILE 47 Ca 0.00 -1.06 -0.04 0.00 -0.26 0.00 0.00 60.65 59.29 2k3d s ILE 47 Cb 0.00 -0.66 0.01 0.00 1.25 0.00 0.00 42.46 43.06 2k3d s ILE 47 CO 0.00 -0.33 0.10 -0.55 0.24 0.00 0.00 174.94 174.39 2k3d s SER 48 N -1.52 -0.07 -0.13 4.36 0.15 -1.26 -1.12 113.70 114.11 2k3d s SER 48 Ca -0.08 0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.69 2k3d s SER 48 Cb -0.10 0.20 0.02 0.00 -1.71 0.00 0.00 66.02 64.43 2k3d s SER 48 CO 0.01 -0.09 -0.14 -0.63 1.20 0.00 0.00 173.24 173.59 2k3d s ILE 49 N -0.19 1.53 0.16 6.45 1.01 -0.26 -4.11 121.20 125.79 2k3d s ILE 49 Ca -0.03 -0.63 0.04 0.00 0.00 0.00 0.00 60.65 60.04 2k3d s ILE 49 Cb -0.02 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2k3d s ILE 49 CO 0.00 0.45 0.16 -0.62 0.00 0.00 0.00 174.94 174.94 2k3d s ASP 50 N 1.30 5.69 0.00 3.58 2.15 -0.36 -2.07 116.67 126.97 2k3d s ASP 50 Ca 0.00 -0.06 -0.01 0.00 0.43 0.00 0.00 52.55 52.91 2k3d s ASP 50 Cb -0.14 -1.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.95 2k3d s ASP 50 CO -0.07 0.07 0.04 0.61 -0.17 0.00 0.00 175.17 175.65 2k3d n GLY 51 N -0.35 0.74 3.23 2.66 0.00 -0.91 -0.41 105.19 110.15 2k3d n GLY 51 Ca -0.08 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.56 0.40 0.28 1.61 -0.85 -0.79 -0.97 117.35 113.47 2k3d s TYR 52 Ca 0.01 -0.81 0.09 0.00 -0.52 0.00 0.00 57.07 55.83 2k3d s TYR 52 Cb -0.00 -0.16 -0.06 0.00 0.38 0.00 0.00 41.96 42.12 2k3d s TYR 52 CO 0.00 -0.59 -0.11 0.96 -1.52 0.00 0.00 175.55 174.29 2k3d s ILE 53 N -3.94 1.98 -1.50 -3.49 -4.36 -1.02 -1.20 121.20 107.66 2k3d s ILE 53 Ca 0.13 -2.22 -0.03 0.00 -0.26 0.00 0.00 60.65 58.26 2k3d s ILE 53 Cb 0.05 -2.38 0.01 0.00 1.25 0.00 0.00 42.46 41.40 2k3d s ILE 53 CO -0.05 -0.36 0.31 0.59 0.24 0.00 0.00 174.94 175.68 2k3d n ASN 54 N -0.60 -5.35 -2.41 4.36 3.02 -0.85 -1.50 115.26 111.92 2k3d n ASN 54 Ca -0.06 -0.14 -0.08 0.00 -0.03 0.00 0.00 54.58 54.27 2k3d n ASN 54 Cb 0.62 -4.41 -0.01 0.00 -0.61 0.00 0.00 39.78 35.38 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 -2.23 -2.95 -4.22 6.41 3.02 -1.26 -4.89 115.26 109.15 2k3d n ASN 55 Ca -0.14 0.29 -0.37 0.00 -0.03 0.00 0.00 54.58 54.33 2k3d n ASN 55 Cb 0.63 -2.57 -0.13 0.00 -0.61 0.00 0.00 39.78 37.11 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 -2.01 5.18 0.42 6.41 1.01 -0.56 -4.96 116.67 122.15 2k3d s ASP 56 Ca 0.00 -1.33 0.09 0.00 0.71 0.00 0.00 52.55 52.03 2k3d s ASP 56 Cb 0.00 -1.81 0.92 0.00 1.01 0.00 0.00 42.92 43.03 2k3d s ASP 56 CO 0.00 -0.34 2.03 0.11 0.21 0.00 0.00 175.17 177.17 2k3d h LYS 57 N 8.13 0.49 -0.73 8.23 1.57 -1.90 -1.24 116.57 131.12 2k3d h LYS 57 Ca -0.21 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2k3d h LYS 57 Cb 1.07 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.24 2k3d h LYS 57 CO 0.60 0.33 0.32 -0.91 -0.57 0.00 0.00 179.45 179.22 2k3d h ASN 58 N 0.51 0.96 -1.30 0.86 -0.26 -1.94 -3.31 115.58 111.09 2k3d h ASN 58 Ca 0.20 -0.12 -0.68 0.00 -0.56 0.00 0.00 56.30 55.14 2k3d h ASN 58 Cb 0.17 -0.25 -0.11 0.00 -1.06 0.00 0.00 38.32 37.07 2k3d h ASN 58 CO -0.05 0.83 1.79 -0.76 -1.06 0.00 0.00 177.43 178.18 2k3d s LEU 59 N -9.66 4.12 0.26 1.61 1.43 -0.47 -4.83 118.68 111.15 2k3d s LEU 59 Ca -0.11 -2.35 0.05 0.00 -1.03 0.00 0.00 54.13 50.69 2k3d s LEU 59 Cb 0.16 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.83 2k3d s LEU 59 CO 0.81 -1.13 0.36 -0.44 0.23 0.00 0.00 176.35 176.18 2k3d s SER 60 N 4.03 6.19 0.03 2.29 0.01 -1.25 -2.45 113.70 122.55 2k3d s SER 60 Ca 0.49 -0.00 -0.09 0.00 1.31 0.00 0.00 55.95 57.65 2k3d s SER 60 Cb 0.01 -1.72 0.00 0.00 0.21 0.00 0.00 66.02 64.53 2k3d s SER 60 CO 0.02 -0.12 0.18 0.72 0.41 0.00 0.00 173.24 174.45 2k3d s PHE 61 N -2.03 0.05 -0.03 2.43 -0.12 -0.15 -4.22 117.98 113.92 2k3d s PHE 61 Ca 0.36 -0.24 0.02 0.00 -0.05 0.00 0.00 56.93 57.01 2k3d s PHE 61 Cb -0.09 -0.04 0.01 0.00 -0.63 0.00 0.00 43.02 42.28 2k3d s PHE 61 CO 0.29 -0.40 -0.07 0.99 -0.05 0.00 0.00 175.22 175.98 2k3d s THR 62 N -2.32 0.68 -0.02 -4.49 2.01 -0.95 -2.13 115.64 108.42 2k3d s THR 62 Ca -0.07 -0.26 0.05 0.00 0.31 0.00 0.00 61.69 61.72 2k3d s THR 62 Cb -0.02 -0.64 -0.01 0.00 0.01 0.00 0.00 72.50 71.84 2k3d s THR 62 CO -0.03 0.23 -0.17 0.00 -0.69 0.00 0.00 174.62 173.97 2k3d s ALA 63 N 0.49 1.38 -0.13 7.40 0.00 -0.88 -1.30 121.76 128.72 2k3d s ALA 63 Ca -0.07 -0.71 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 2k3d s ALA 63 Cb -0.11 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2k3d s ALA 63 CO 0.01 0.33 -0.10 0.20 0.00 0.00 0.00 175.76 176.20 2k3d s GLY 64 N -0.34 1.61 0.00 0.00 0.00 0.80 -1.10 107.32 108.29 2k3d s GLY 64 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.91 2k3d s GLY 64 CO -0.00 -0.19 0.00 1.17 0.00 0.00 0.00 173.10 174.07 2k3d n LYS 65 N 3.42 0.00 -0.71 2.90 4.81 -0.27 -1.11 118.16 127.20 2k3d n LYS 65 Ca -0.18 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.02 2k3d n LYS 65 Cb 0.53 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.55 2k3d n LYS 65 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2k3d n ASP 66 N -2.61 3.64 -1.32 3.14 2.03 -1.26 -4.24 116.55 115.93 2k3d n ASP 66 Ca 0.00 -2.35 -0.12 0.00 0.52 0.00 0.00 54.79 52.84 2k3d n ASP 66 Cb 0.00 -1.00 -0.05 0.00 -0.72 0.00 0.00 41.12 39.35 2k3d n ASP 66 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2k3d n VAL 67 N 4.76 0.00 -0.19 5.18 0.31 -0.87 -4.78 118.33 122.74 2k3d n VAL 67 Ca 0.39 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.64 2k3d n VAL 67 Cb 0.18 -1.16 0.02 0.00 -0.91 0.00 0.00 33.84 31.96 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 0.86 -3.98 5.55 1.79 -1.29 -3.41 116.57 116.09 2k3d h LYS 68 Ca -0.25 -0.19 -0.50 0.00 -2.18 0.00 0.00 60.65 57.54 2k3d h LYS 68 Cb 0.80 -0.12 -0.38 0.00 -1.58 0.00 0.00 32.23 30.95 2k3d h LYS 68 CO 0.36 0.78 -0.79 0.42 -1.08 0.00 0.00 179.45 179.15 2k3d s ILE 69 N -5.39 0.77 0.03 1.86 1.01 -1.12 -4.96 121.20 113.39 2k3d s ILE 69 Ca -0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 60.65 60.31 2k3d s ILE 69 Cb 0.12 -0.90 -0.02 0.00 0.01 0.00 0.00 42.46 41.67 2k3d s ILE 69 CO 0.80 0.25 -0.03 0.72 0.00 0.00 0.00 174.94 176.68 2k3d s PHE 70 N 1.80 0.34 0.02 3.97 -0.12 -1.26 0.28 117.98 123.01 2k3d s PHE 70 Ca 0.04 -0.64 0.00 0.00 -0.05 0.00 0.00 56.93 56.28 2k3d s PHE 70 Cb -0.13 -0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.00 2k3d s PHE 70 CO -0.07 -0.22 -0.03 0.45 -0.05 0.00 0.00 175.22 175.30 2k3d s SER 71 N -1.77 0.22 0.05 1.98 0.15 -0.42 -4.99 113.70 108.92 2k3d s SER 71 Ca -0.11 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.17 2k3d s SER 71 Cb -0.06 0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.30 2k3d s SER 71 CO -0.03 -0.24 -0.12 -0.55 1.20 0.00 0.00 173.24 173.50 2k3d s SER 72 N -1.21 1.44 0.88 5.45 0.15 -1.26 -2.25 113.70 116.89 2k3d s SER 72 Ca -0.13 -0.50 -0.12 0.00 0.70 0.00 0.00 55.95 55.90 2k3d s SER 72 Cb -0.08 -0.06 0.12 0.00 -1.71 0.00 0.00 66.02 64.29 2k3d s SER 72 CO -0.01 -0.04 1.15 -0.94 1.20 0.00 0.00 173.24 174.60 2k3d s SER 73 N -1.33 3.82 0.18 5.45 1.04 -1.26 -4.73 113.70 116.87 2k3d s SER 73 Ca -0.02 0.90 -0.12 0.00 0.48 0.00 0.00 55.95 57.19 2k3d s SER 73 Cb -0.08 -1.45 0.09 0.00 0.10 0.00 0.00 66.02 64.68 2k3d s SER 73 CO 0.01 -2.35 1.78 -0.33 0.98 0.00 0.00 173.24 173.34 2k3d h GLU 74 N -1.36 0.88 -0.82 4.02 3.07 -1.97 0.85 114.58 119.25 2k3d h GLU 74 Ca -0.49 -0.12 -0.02 0.00 -0.50 0.00 0.00 59.36 58.24 2k3d h GLU 74 Cb 1.33 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 29.04 2k3d h GLU 74 CO 0.63 0.69 0.45 0.93 -1.40 0.00 0.00 179.01 180.31 2k3d h GLU 75 N 0.85 1.15 0.00 2.33 5.08 -1.93 -1.98 114.58 120.08 2k3d h GLU 75 Ca 0.22 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.31 2k3d h GLU 75 Cb 0.08 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 2k3d h GLU 75 CO -0.03 0.84 -0.65 1.25 -1.00 0.00 0.00 179.01 179.43 2k3d h LEU 76 N 1.15 0.00 -1.03 1.33 5.85 -1.77 -3.28 115.31 117.55 2k3d h LEU 76 Ca 0.29 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.98 2k3d h LEU 76 Cb 0.03 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2k3d h LEU 76 CO -0.05 0.65 0.34 -0.78 -0.34 0.00 0.00 178.44 178.26 2k3d h ASP 77 N 0.00 0.93 -0.08 1.25 1.82 0.15 -2.03 116.42 118.46 2k3d h ASP 77 Ca -0.01 -0.10 0.02 0.00 -0.39 0.00 0.00 57.03 56.55 2k3d h ASP 77 Cb 1.48 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 41.24 2k3d h ASP 77 CO 0.08 0.79 0.06 0.07 -1.61 0.00 0.00 179.24 178.64 2k3d h LYS 78 N 1.02 0.00 -0.37 0.28 2.10 -1.51 -1.43 116.57 116.66 2k3d h LYS 78 Ca 0.25 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.83 2k3d h LYS 78 Cb 0.11 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.42 2k3d h LYS 78 CO -0.03 0.00 -0.04 0.52 -2.00 0.00 0.00 179.45 177.90 2k3d h MET 79 N 0.00 0.60 -6.79 0.07 2.86 -1.53 -3.43 114.93 106.71 2k3d h MET 79 Ca 0.04 -0.15 -0.53 0.00 -2.06 0.00 0.00 59.70 56.99 2k3d h MET 79 Cb 0.16 -0.07 0.07 0.00 0.06 0.00 0.00 31.60 31.81 2k3d h MET 79 CO -0.00 0.65 0.78 -0.06 1.06 0.00 0.00 176.91 179.34 2k3d s PHE 80 N -4.90 2.92 -0.03 -0.22 0.40 -0.54 -4.68 117.98 110.93 2k3d s PHE 80 Ca -0.08 1.02 0.08 0.00 -0.60 0.00 0.00 56.93 57.34 2k3d s PHE 80 Cb 0.15 -3.89 -0.12 0.00 0.51 0.00 0.00 43.02 39.67 2k3d s PHE 80 CO 0.78 -2.84 0.14 1.04 0.70 0.00 0.00 175.22 175.04 2k3d n GLN 81 N 1.99 0.98 -4.19 0.44 6.02 -0.96 -5.03 117.38 116.62 2k3d n GLN 81 Ca 0.06 -0.06 -0.24 0.00 -0.01 0.00 0.00 57.00 56.75 2k3d n GLN 81 Cb 0.40 -1.20 -0.07 0.00 1.02 0.00 0.00 30.24 30.38 2k3d n GLN 81 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2k3d s GLU 82 N -2.46 2.24 0.54 -1.09 2.02 -1.26 -5.10 118.70 113.58 2k3d s GLU 82 Ca -0.03 -1.69 -0.21 0.00 0.02 0.00 0.00 54.97 53.06 2k3d s GLU 82 Cb 0.04 -2.04 -0.05 0.00 0.10 0.00 0.00 34.13 32.18 2k3d s GLU 82 CO 0.34 0.07 1.25 -2.30 0.02 0.00 0.00 175.26 174.63 2k3d n PRO 83 N -1.10 1.50 -2.06 0.39 -0.02 -1.26 -4.91 135.00 127.54 2k3d n PRO 83 Ca -0.03 0.55 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 2k3d n PRO 83 Cb 0.62 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 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 -2.77 4.23 0.08 -0.52 0.52 -1.26 -4.99 118.95 114.23 2k3d s ARG 84 Ca 0.72 2.15 0.03 0.00 -0.52 0.00 0.00 55.73 58.11 2k3d s ARG 84 Cb -0.43 -3.67 -0.03 0.00 0.52 0.00 0.00 34.95 31.34 2k3d s ARG 84 CO 0.49 -0.70 -0.08 0.15 0.02 0.00 0.00 175.30 175.19 2k3d s LYS 85 N 2.83 0.73 0.77 3.54 -0.14 -1.26 -5.15 119.74 121.05 2k3d s LYS 85 Ca 0.70 -1.07 -0.12 0.00 -1.36 0.00 0.00 55.97 54.12 2k3d s LYS 85 Cb -0.35 -0.34 0.05 0.00 -1.68 0.00 0.00 37.83 35.51 2k3d s LYS 85 CO 0.29 0.04 1.12 0.20 -0.76 0.00 0.00 175.35 176.24 2k3d s GLY 86 N -2.33 1.61 0.21 -3.33 0.00 -1.26 -4.91 107.32 97.31 2k3d s GLY 86 Ca 0.02 -0.41 -0.10 0.00 0.00 0.00 0.00 44.72 44.23 2k3d s GLY 86 CO -0.01 0.02 1.85 -1.82 0.00 0.00 0.00 173.10 173.14 2k3d h TYR 87 N -0.90 0.97 -0.34 1.90 3.20 -1.86 -2.29 116.97 117.65 2k3d h TYR 87 Ca -0.46 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.35 2k3d h TYR 87 Cb 1.28 -0.32 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2k3d h TYR 87 CO 0.43 0.65 -0.04 0.38 -1.64 0.00 0.00 178.16 177.94 2k3d h ASP 88 N 1.01 0.52 -0.18 -2.11 2.03 -1.93 -1.42 116.42 114.34 2k3d h ASP 88 Ca 0.27 -0.11 -0.02 0.00 -0.73 0.00 0.00 57.03 56.44 2k3d h ASP 88 Cb -0.05 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.31 2k3d h ASP 88 CO -0.05 0.62 0.04 -0.33 -1.03 0.00 0.00 179.24 178.48 2k3d h GLU 89 N 0.52 0.29 -0.21 4.15 3.07 -1.79 -1.98 114.58 118.63 2k3d h GLU 89 Ca 0.11 -0.07 -0.14 0.00 -0.50 0.00 0.00 59.36 58.76 2k3d h GLU 89 Cb 0.39 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.26 2k3d h GLU 89 CO 0.02 0.43 -0.44 -0.84 -1.40 0.00 0.00 179.01 176.77 2k3d h ILE 90 N 0.09 1.31 -0.56 3.13 3.07 -1.34 -2.42 117.51 120.78 2k3d h ILE 90 Ca 0.05 -1.63 -0.03 0.00 1.55 0.00 0.00 64.86 64.80 2k3d h ILE 90 Cb 0.28 1.63 -0.02 0.00 -0.27 0.00 0.00 36.82 38.44 2k3d h ILE 90 CO 0.00 0.51 0.22 0.25 -1.05 0.00 0.00 178.15 178.08 2k3d h LEU 91 N 0.42 0.78 -0.72 0.16 5.85 -1.13 -2.68 115.31 117.98 2k3d h LEU 91 Ca 0.03 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.47 2k3d h LEU 91 Cb 0.95 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 2k3d h LEU 91 CO 0.08 0.74 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.41 2k3d h GLU 92 N 0.77 0.80 -5.97 1.25 5.08 -1.29 -3.41 114.58 111.82 2k3d h GLU 92 Ca 0.19 -0.30 -0.58 0.00 -1.00 0.00 0.00 59.36 57.66 2k3d h GLU 92 Cb 0.20 -0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.34 2k3d h GLU 92 CO -0.01 0.92 0.56 -1.58 -1.00 0.00 0.00 179.01 177.89 2k3d s HIS 93 N -4.69 3.37 -0.42 4.33 2.46 -0.92 -4.81 115.29 114.62 2k3d s HIS 93 Ca -0.09 1.31 0.02 0.00 0.47 0.00 0.00 55.06 56.77 2k3d s HIS 93 Cb 0.13 -3.12 0.25 0.00 -0.13 0.00 0.00 32.58 29.72 2k3d s HIS 93 CO 0.83 -0.36 1.05 1.58 -2.47 0.00 0.00 174.74 175.37 2k3d n HIS 94 N 5.78 -2.04 -0.53 3.88 -0.00 -1.26 -4.84 115.22 116.21 2k3d n HIS 94 Ca 0.07 -1.24 0.00 0.00 -0.00 0.00 0.00 57.72 56.55 2k3d n HIS 94 Cb 0.48 1.34 0.00 0.00 -0.00 0.00 0.00 29.99 31.81 2k3d n HIS 94 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k3d n HIS 95 N 1.64 0.00 -0.15 1.57 8.25 -1.26 -4.71 115.22 120.55 2k3d n HIS 95 Ca 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.44 2k3d n HIS 95 Cb 0.66 -1.34 0.07 0.00 1.12 0.00 0.00 29.99 30.50 2k3d n HIS 95 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k3d h HIS 96 N 0.00 1.03 -3.56 4.41 6.17 -1.91 -3.42 115.15 117.86 2k3d h HIS 96 Ca 0.00 -0.19 -0.52 0.00 0.71 0.00 0.00 60.37 60.37 2k3d h HIS 96 Cb 0.44 -0.26 0.03 0.00 2.52 0.00 0.00 27.41 30.14 2k3d h HIS 96 CO 0.28 0.96 0.60 -1.01 0.71 0.00 0.00 177.93 179.47 2k3d s HIS 97 N -4.88 3.30 0.00 5.26 3.76 -1.26 -5.20 115.29 116.26 2k3d s HIS 97 Ca -0.11 1.37 0.00 0.00 -0.15 0.00 0.00 55.06 56.18 2k3d s HIS 97 Cb 0.14 -3.53 0.00 0.00 1.11 0.00 0.00 32.58 30.29 2k3d s HIS 97 CO 0.84 -1.54 0.00 1.58 -0.85 0.00 0.00 174.74 174.78