#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 0.79 -0.70 0.00 3.57 -2.05 -1.23 116.94 117.32 2k3d h PHE 13 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2k3d h PHE 13 Cb 0.00 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 38.44 2k3d h PHE 13 CO 0.00 0.54 0.46 0.74 -2.23 0.00 0.00 178.31 177.82 2k3d h PHE 14 N 0.82 0.88 -0.69 0.41 0.04 -2.03 0.17 116.94 116.53 2k3d h PHE 14 Ca 0.22 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.97 2k3d h PHE 14 Cb -0.03 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.79 2k3d h PHE 14 CO -0.02 0.55 0.30 -0.97 -0.60 0.00 0.00 178.31 177.56 2k3d h ASN 15 N 0.94 0.94 -0.49 2.17 -1.24 -1.89 -1.93 115.58 114.07 2k3d h ASN 15 Ca 0.26 -0.16 -0.09 0.00 0.71 0.00 0.00 56.30 57.02 2k3d h ASN 15 Cb -0.10 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.69 2k3d h ASN 15 CO -0.06 0.84 -0.02 -0.33 -1.29 0.00 0.00 177.43 176.56 2k3d h GLU 16 N 0.98 0.94 -0.57 6.67 4.39 -0.53 -2.52 114.58 123.93 2k3d h GLU 16 Ca 0.23 -0.29 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2k3d h GLU 16 Cb 0.18 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 2k3d h GLU 16 CO -0.02 0.94 0.29 0.37 -1.16 0.00 0.00 179.01 179.43 2k3d h GLN 17 N 0.86 0.81 -0.79 2.33 5.75 -0.20 -1.12 115.11 122.74 2k3d h GLN 17 Ca 0.15 -0.11 -0.04 0.00 -0.15 0.00 0.00 58.65 58.50 2k3d h GLN 17 Cb 0.54 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.90 2k3d h GLN 17 CO 0.03 0.64 0.32 0.87 -2.65 0.00 0.00 178.83 178.04 2k3d h LYS 18 N 0.77 1.18 -0.44 1.69 1.57 -1.19 -1.14 116.57 119.01 2k3d h LYS 18 Ca 0.20 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 2k3d h LYS 18 Cb 0.08 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 2k3d h LYS 18 CO -0.03 0.95 0.15 0.93 -0.57 0.00 0.00 179.45 180.89 2k3d h GLU 19 N 1.15 0.67 -0.55 3.15 4.39 -1.05 -1.05 114.58 121.29 2k3d h GLU 19 Ca 0.26 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.79 2k3d h GLU 19 Cb 0.21 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2k3d h GLU 19 CO -0.02 0.64 0.19 0.87 -1.16 0.00 0.00 179.01 179.52 2k3d h LYS 20 N 0.57 0.84 -0.39 2.33 1.57 -0.89 -1.29 116.57 119.30 2k3d h LYS 20 Ca 0.14 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2k3d h LYS 20 Cb 0.23 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 2k3d h LYS 20 CO -0.01 0.75 0.10 0.28 -0.57 0.00 0.00 179.45 180.01 2k3d h VAL 21 N 0.75 1.22 -0.66 0.50 2.07 -1.03 -2.06 116.25 117.04 2k3d h VAL 21 Ca 0.18 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2k3d h VAL 21 Cb 0.25 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 2k3d h VAL 21 CO -0.01 0.26 0.33 0.74 0.02 0.00 0.00 177.57 178.91 2k3d h THR 22 N 0.48 1.22 -0.54 2.57 2.02 -1.04 -1.64 112.91 115.98 2k3d h THR 22 Ca 0.12 -0.60 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 2k3d h THR 22 Cb 0.29 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2k3d h THR 22 CO -0.00 0.25 0.33 0.25 0.37 0.00 0.00 175.52 176.72 2k3d h LEU 23 N 0.92 0.65 -0.35 2.58 5.85 -1.04 -0.43 115.31 123.48 2k3d h LEU 23 Ca 0.23 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2k3d h LEU 23 Cb 0.10 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2k3d h LEU 23 CO -0.03 0.51 0.17 0.22 -0.34 0.00 0.00 178.44 178.97 2k3d h TYR 24 N 0.73 0.51 -0.70 1.25 3.20 -1.07 -2.42 116.97 118.47 2k3d h TYR 24 Ca 0.19 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.97 2k3d h TYR 24 Cb -0.02 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 2k3d h TYR 24 CO -0.03 0.44 0.18 -0.07 -1.64 0.00 0.00 178.16 177.05 2k3d h LEU 25 N 0.43 1.04 -0.78 2.82 3.38 -1.03 -2.35 115.31 118.81 2k3d h LEU 25 Ca 0.12 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2k3d h LEU 25 Cb 0.12 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 2k3d h LEU 25 CO -0.01 0.99 0.49 0.50 0.09 0.00 0.00 178.44 180.49 2k3d h LYS 26 N 1.05 1.05 -0.54 1.13 3.64 -0.85 0.61 116.57 122.66 2k3d h LYS 26 Ca 0.22 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.42 2k3d h LYS 26 Cb 0.35 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2k3d h LYS 26 CO -0.00 0.72 -0.06 0.45 -2.27 0.00 0.00 179.45 178.29 2k3d h HIS 27 N 1.06 1.07 -0.01 1.91 3.86 -1.18 -2.44 115.15 119.43 2k3d h HIS 27 Ca 0.28 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2k3d h HIS 27 Cb -0.07 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.12 2k3d h HIS 27 CO -0.01 0.98 -0.12 0.09 0.86 0.00 0.00 177.93 179.73 2k3d n ASN 28 N -4.16 0.96 -3.35 2.45 3.02 -0.91 -4.46 115.26 108.81 2k3d n ASN 28 Ca 0.02 -1.01 -0.24 0.00 -0.03 0.00 0.00 54.58 53.32 2k3d n ASN 28 Cb 0.37 0.03 -0.09 0.00 -0.61 0.00 0.00 39.78 39.47 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 -2.30 0.11 0.48 2.41 1.01 0.21 -2.29 121.20 120.82 2k3d s ILE 29 Ca 0.32 -2.14 0.20 0.00 0.00 0.00 0.00 60.65 59.03 2k3d s ILE 29 Cb 0.20 -1.05 0.38 0.00 0.01 0.00 0.00 42.46 41.99 2k3d s ILE 29 CO 0.44 -1.02 1.96 -0.65 0.00 0.00 0.00 174.94 175.68 2k3d h PRO 30 N 6.01 0.20 -0.61 2.79 0.11 -1.75 0.26 132.00 139.00 2k3d h PRO 30 Ca 0.19 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 2k3d h PRO 30 Cb 0.95 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2k3d h PRO 30 CO 0.30 0.13 0.00 -0.25 -0.21 0.00 0.00 178.00 177.97 2k3d n ASP 31 N -4.43 1.47 -4.70 -2.05 8.00 -1.26 -4.90 116.55 108.68 2k3d n ASP 31 Ca 0.12 -2.11 -0.43 0.00 0.71 0.00 0.00 54.79 53.08 2k3d n ASP 31 Cb 0.56 -0.36 -0.03 0.00 -0.02 0.00 0.00 41.12 41.26 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 0.04 2.62 -0.04 1.24 7.35 0.91 -4.90 117.46 124.70 2k3d n PHE 32 Ca 0.05 0.06 -0.07 0.00 -0.76 0.00 0.00 57.45 56.74 2k3d n PHE 32 Cb 0.31 -2.65 -0.02 0.00 0.35 0.00 0.00 39.48 37.47 2k3d n PHE 32 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2k3d n ASN 33 N 4.12 1.49 -3.77 -2.13 3.02 -1.26 -5.08 115.26 111.65 2k3d n ASN 33 Ca 0.17 0.24 -0.10 0.00 -0.03 0.00 0.00 54.58 54.86 2k3d n ASN 33 Cb 0.34 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 38.92 2k3d n ASN 33 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2k3d s THR 34 N -2.47 0.04 -0.03 3.41 -1.32 -1.26 -4.95 115.64 109.06 2k3d s THR 34 Ca -0.17 -0.88 0.03 0.00 -1.21 0.00 0.00 61.69 59.47 2k3d s THR 34 Cb 0.03 -1.59 -0.00 0.00 -1.51 0.00 0.00 72.50 69.43 2k3d s THR 34 CO 0.24 -0.17 -0.13 0.54 -2.21 0.00 0.00 174.62 172.89 2k3d s VAL 35 N -3.88 1.11 -0.09 5.08 0.11 -1.26 -1.84 120.40 119.63 2k3d s VAL 35 Ca 0.10 -0.54 0.01 0.00 -2.93 0.00 0.00 61.98 58.62 2k3d s VAL 35 Cb 0.00 -0.96 0.02 0.00 -1.53 0.00 0.00 36.38 33.91 2k3d s VAL 35 CO -0.03 0.33 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.07 2k3d s THR 36 N 0.09 1.11 0.03 5.04 2.01 -0.32 -5.01 115.64 118.59 2k3d s THR 36 Ca -0.03 -0.41 -0.03 0.00 0.31 0.00 0.00 61.69 61.54 2k3d s THR 36 Cb -0.10 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.30 2k3d s THR 36 CO 0.01 0.37 0.22 -0.36 -0.69 0.00 0.00 174.62 174.17 2k3d s PHE 37 N 1.14 3.54 0.00 4.92 0.08 -1.26 -1.68 117.98 124.71 2k3d s PHE 37 Ca -0.06 0.38 0.00 0.00 0.12 0.00 0.00 56.93 57.37 2k3d s PHE 37 Cb -0.14 -1.85 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 2k3d s PHE 37 CO -0.02 0.60 0.00 0.25 -0.10 0.00 0.00 175.22 175.95 2k3d n THR 38 N 0.69 0.00 -2.61 0.64 -2.24 -1.04 -4.99 114.28 104.72 2k3d n THR 38 Ca -0.08 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.28 2k3d n THR 38 Cb 0.52 0.00 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 2k3d n THR 38 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 2k3d s ASN 39 N -0.70 7.24 -0.39 3.42 2.47 -1.25 -4.97 114.94 120.76 2k3d s ASN 39 Ca 0.00 1.73 0.08 0.00 0.42 0.00 0.00 52.86 55.09 2k3d s ASN 39 Cb 0.00 -2.57 0.25 0.00 -1.45 0.00 0.00 41.25 37.49 2k3d s ASN 39 CO 0.00 -0.38 0.53 -0.62 -3.72 0.00 0.00 177.10 172.91 2k3d n GLU 40 N 4.29 0.72 -1.99 0.43 1.02 -1.26 -1.79 120.64 122.07 2k3d n GLU 40 Ca 0.08 -3.23 -0.30 0.00 -0.02 0.00 0.00 57.16 53.69 2k3d n GLU 40 Cb 0.49 -1.23 0.03 0.00 -0.02 0.00 0.00 31.44 30.71 2k3d n GLU 40 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k3d s GLU 41 N -1.23 3.15 -0.28 3.49 -1.05 -1.21 -4.85 118.70 116.73 2k3d s GLU 41 Ca 0.35 0.48 -0.12 0.00 -0.15 0.00 0.00 54.97 55.54 2k3d s GLU 41 Cb 0.18 -2.09 -0.05 0.00 -0.44 0.00 0.00 34.13 31.73 2k3d s GLU 41 CO -0.11 -0.79 0.22 -0.06 0.95 0.00 0.00 175.26 175.47 2k3d s PHE 42 N -3.22 3.22 0.19 4.83 0.40 -1.26 -2.14 117.98 120.01 2k3d s PHE 42 Ca 0.56 0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 57.00 2k3d s PHE 42 Cb -0.11 -2.41 -0.05 0.00 0.51 0.00 0.00 43.02 40.96 2k3d s PHE 42 CO 0.51 -0.17 0.42 0.54 0.70 0.00 0.00 175.22 177.22 2k3d s ASN 43 N 1.74 6.46 0.35 1.36 2.20 0.27 -4.94 114.94 122.37 2k3d s ASN 43 Ca 0.08 0.57 0.14 0.00 -0.94 0.00 0.00 52.86 52.71 2k3d s ASN 43 Cb -0.16 -2.08 1.02 0.00 -2.00 0.00 0.00 41.25 38.03 2k3d s ASN 43 CO 0.11 -0.03 1.72 -0.65 -2.94 0.00 0.00 177.10 175.31 2k3d h PRO 44 N 2.35 0.44 -0.34 3.55 0.11 -2.01 0.60 132.00 136.70 2k3d h PRO 44 Ca -0.47 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 2k3d h PRO 44 Cb 1.18 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2k3d h PRO 44 CO 0.70 0.29 -0.35 0.82 -0.21 0.00 0.00 178.00 179.24 2k3d h ILE 45 N 0.45 1.28 0.00 4.15 2.04 -2.03 -3.49 117.51 119.91 2k3d h ILE 45 Ca 0.67 -1.53 0.00 0.00 1.00 0.00 0.00 64.86 65.00 2k3d h ILE 45 Cb 1.48 1.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.05 2k3d h ILE 45 CO -0.46 0.50 0.00 0.61 0.00 0.00 0.00 178.15 178.80 2k3d n GLY 46 N 0.16 0.71 3.76 5.37 0.00 0.20 -5.09 105.19 110.31 2k3d n GLY 46 Ca -0.03 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 1.46 4.86 -0.16 -0.61 -4.36 -1.26 -0.57 121.20 120.56 2k3d s ILE 47 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 60.65 60.36 2k3d s ILE 47 Cb 0.00 -3.09 -0.00 0.00 1.25 0.00 0.00 42.46 40.62 2k3d s ILE 47 CO 0.00 0.60 -0.15 -0.44 0.24 0.00 0.00 174.94 175.19 2k3d s SER 48 N -0.86 3.63 -0.18 4.36 0.01 -0.91 -2.25 113.70 117.51 2k3d s SER 48 Ca 0.13 -0.48 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 2k3d s SER 48 Cb -0.12 -1.56 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 2k3d s SER 48 CO 0.03 0.08 -0.07 -0.63 0.41 0.00 0.00 173.24 173.05 2k3d s ILE 49 N 0.86 3.36 0.15 1.44 1.01 -0.35 -3.29 121.20 124.38 2k3d s ILE 49 Ca -0.04 -0.53 0.09 0.00 0.00 0.00 0.00 60.65 60.17 2k3d s ILE 49 Cb -0.15 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2k3d s ILE 49 CO -0.01 0.47 -0.20 -0.62 0.00 0.00 0.00 174.94 174.59 2k3d s ASP 50 N 0.86 2.76 0.00 3.58 2.15 -0.74 -1.37 116.67 123.91 2k3d s ASP 50 Ca -0.02 -0.82 0.00 0.00 0.43 0.00 0.00 52.55 52.14 2k3d s ASP 50 Cb -0.15 -0.17 0.00 0.00 -0.30 0.00 0.00 42.92 42.31 2k3d s ASP 50 CO 0.01 0.01 0.00 0.61 -0.17 0.00 0.00 175.17 175.63 2k3d n GLY 51 N 0.50 -1.08 3.18 2.66 0.00 -0.97 -2.51 105.19 106.98 2k3d n GLY 51 Ca -0.15 -0.78 -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 -3.00 0.63 0.29 1.61 -0.85 -0.68 -0.88 117.35 114.47 2k3d s TYR 52 Ca 0.00 -1.05 0.11 0.00 -0.52 0.00 0.00 57.07 55.61 2k3d s TYR 52 Cb 0.00 -0.34 -0.05 0.00 0.38 0.00 0.00 41.96 41.95 2k3d s TYR 52 CO 0.00 -0.53 -0.16 0.96 -1.52 0.00 0.00 175.55 174.30 2k3d s ILE 53 N -3.99 2.32 -1.63 -3.49 -4.36 -0.98 -1.18 121.20 107.89 2k3d s ILE 53 Ca 0.17 -2.33 -0.02 0.00 -0.26 0.00 0.00 60.65 58.22 2k3d s ILE 53 Cb 0.06 -2.38 0.00 0.00 1.25 0.00 0.00 42.46 41.40 2k3d s ILE 53 CO -0.02 -0.36 0.25 0.59 0.24 0.00 0.00 174.94 175.64 2k3d n ASN 54 N -0.65 -5.79 -2.85 4.36 4.13 -0.77 -1.70 115.26 112.00 2k3d n ASN 54 Ca -0.05 -0.12 -0.13 0.00 1.68 0.00 0.00 54.58 55.96 2k3d n ASN 54 Cb 0.61 -4.76 -0.01 0.00 -1.54 0.00 0.00 39.78 34.08 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 -2.21 -2.60 -4.15 6.41 3.02 -1.26 -4.88 115.26 109.59 2k3d n ASN 55 Ca -0.18 0.05 -0.34 0.00 -0.03 0.00 0.00 54.58 54.08 2k3d n ASN 55 Cb 0.65 -2.25 -0.14 0.00 -0.61 0.00 0.00 39.78 37.44 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 -2.28 4.83 0.44 6.41 1.01 -0.69 -4.97 116.67 121.42 2k3d s ASP 56 Ca 0.16 -1.33 0.12 0.00 0.71 0.00 0.00 52.55 52.22 2k3d s ASP 56 Cb -0.09 -1.69 1.00 0.00 1.01 0.00 0.00 42.92 43.16 2k3d s ASP 56 CO 0.20 -0.26 2.02 0.11 0.21 0.00 0.00 175.17 177.45 2k3d h LYS 57 N 7.96 0.40 -0.91 8.23 1.79 -1.90 -0.89 116.57 131.25 2k3d h LYS 57 Ca -0.20 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.24 2k3d h LYS 57 Cb 1.06 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.57 2k3d h LYS 57 CO 0.53 0.26 0.57 -0.91 -1.08 0.00 0.00 179.45 178.82 2k3d h ASN 58 N 0.41 1.07 -0.34 0.86 -0.26 -1.94 -3.18 115.58 112.20 2k3d h ASN 58 Ca 0.21 -0.05 -0.72 0.00 -0.56 0.00 0.00 56.30 55.18 2k3d h ASN 58 Cb 0.31 -0.27 -0.06 0.00 -1.06 0.00 0.00 38.32 37.24 2k3d h ASN 58 CO -0.05 0.80 2.94 0.18 -1.06 0.00 0.00 177.43 180.23 2k3d n LEU 59 N -4.37 7.04 -4.93 1.61 4.77 -0.34 -4.72 117.00 116.06 2k3d n LEU 59 Ca 0.10 -4.30 -0.25 0.00 -0.03 0.00 0.00 56.01 51.54 2k3d n LEU 59 Cb 0.04 -1.60 -0.00 0.00 -2.33 0.00 0.00 43.42 39.53 2k3d n LEU 59 CO 0.37 1.29 0.29 -0.94 -1.33 0.00 0.00 177.39 177.07 2k3d s SER 60 N 2.48 6.13 0.14 -1.43 1.04 -1.20 -2.32 113.70 118.54 2k3d s SER 60 Ca 0.48 0.54 -0.17 0.00 0.48 0.00 0.00 55.95 57.27 2k3d s SER 60 Cb 0.14 -1.94 0.04 0.00 0.10 0.00 0.00 66.02 64.36 2k3d s SER 60 CO -0.07 -0.51 0.46 0.72 0.98 0.00 0.00 173.24 174.82 2k3d s PHE 61 N -2.52 -0.24 0.00 5.02 -0.12 -0.06 -2.33 117.98 117.74 2k3d s PHE 61 Ca 0.45 -0.06 -0.01 0.00 -0.05 0.00 0.00 56.93 57.25 2k3d s PHE 61 Cb -0.10 0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 42.62 2k3d s PHE 61 CO 0.39 -0.77 0.01 0.99 -0.05 0.00 0.00 175.22 175.80 2k3d s THR 62 N -3.81 0.05 -0.08 -4.49 2.01 -0.52 -2.28 115.64 106.52 2k3d s THR 62 Ca 0.04 -0.40 -0.08 0.00 0.31 0.00 0.00 61.69 61.55 2k3d s THR 62 Cb 0.01 -0.15 0.02 0.00 0.01 0.00 0.00 72.50 72.39 2k3d s THR 62 CO -0.10 -0.22 0.23 0.00 -0.69 0.00 0.00 174.62 173.84 2k3d s ALA 63 N -0.66 -0.57 0.04 7.40 0.00 -0.47 -1.25 121.76 126.25 2k3d s ALA 63 Ca -0.07 0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.52 2k3d s ALA 63 Cb -0.05 -0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2k3d s ALA 63 CO -0.00 -0.12 0.08 0.20 0.00 0.00 0.00 175.76 175.92 2k3d s GLY 64 N 0.02 2.01 0.00 0.00 0.00 0.47 -1.21 107.32 108.61 2k3d s GLY 64 Ca -0.01 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2k3d s GLY 64 CO 0.00 -0.88 0.00 0.28 0.00 0.00 0.00 173.10 172.50 2k3d n LYS 65 N 0.81 0.00 -2.88 2.90 4.76 -0.95 -0.22 118.16 122.57 2k3d n LYS 65 Ca -0.11 0.00 -0.44 0.00 -2.87 0.00 0.00 58.31 54.90 2k3d n LYS 65 Cb 0.52 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.69 2k3d n LYS 65 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k3d s ASP 66 N -3.04 6.75 -0.29 4.39 1.01 -1.26 -4.44 116.67 119.79 2k3d s ASP 66 Ca 0.00 -2.27 0.00 0.00 0.71 0.00 0.00 52.55 50.99 2k3d s ASP 66 Cb 0.00 -2.42 0.00 0.00 1.01 0.00 0.00 42.92 41.51 2k3d s ASP 66 CO 0.00 -1.02 0.00 0.52 0.21 0.00 0.00 175.17 174.88 2k3d n VAL 67 N 5.43 0.00 -2.66 -1.27 0.31 -1.11 -4.83 118.33 114.20 2k3d n VAL 67 Ca 0.29 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 64.22 2k3d n VAL 67 Cb 0.47 -0.41 -0.05 0.00 -0.91 0.00 0.00 33.84 32.94 2k3d n VAL 67 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2k3d s LYS 68 N -1.46 4.70 -0.09 5.55 2.47 0.69 -4.50 119.74 127.11 2k3d s LYS 68 Ca 0.00 1.55 -0.06 0.00 -1.56 0.00 0.00 55.97 55.91 2k3d s LYS 68 Cb 0.00 -3.32 0.02 0.00 -1.46 0.00 0.00 37.83 33.08 2k3d s LYS 68 CO 0.00 0.24 0.11 -0.89 0.16 0.00 0.00 175.35 174.98 2k3d n ILE 69 N 2.29 -6.54 -4.11 5.43 2.08 -1.26 -0.39 119.36 116.86 2k3d n ILE 69 Ca 0.01 1.30 -0.12 0.00 0.56 0.00 0.00 62.75 64.50 2k3d n ILE 69 Cb 0.48 -4.40 -0.11 0.00 -0.75 0.00 0.00 39.64 34.86 2k3d n ILE 69 CO 0.00 0.00 0.00 0.72 0.56 0.00 0.00 176.55 177.83 2k3d s PHE 70 N -0.35 0.77 0.08 1.39 -0.12 -1.26 -1.71 117.98 116.78 2k3d s PHE 70 Ca -0.13 -0.66 0.01 0.00 -0.05 0.00 0.00 56.93 56.10 2k3d s PHE 70 Cb 0.01 -0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 41.91 2k3d s PHE 70 CO 0.37 -0.11 -0.06 -1.54 -0.05 0.00 0.00 175.22 173.83 2k3d s SER 71 N -2.17 0.96 0.07 1.98 1.04 -0.38 -4.97 113.70 110.23 2k3d s SER 71 Ca -0.01 -0.88 0.03 0.00 0.48 0.00 0.00 55.95 55.57 2k3d s SER 71 Cb -0.04 0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 2k3d s SER 71 CO -0.02 -0.41 -0.10 -0.44 0.98 0.00 0.00 173.24 173.25 2k3d s SER 72 N -2.62 1.25 1.07 7.02 0.01 -1.26 -1.43 113.70 117.73 2k3d s SER 72 Ca 0.05 -0.71 -0.12 0.00 1.31 0.00 0.00 55.95 56.48 2k3d s SER 72 Cb 0.01 0.02 0.23 0.00 0.21 0.00 0.00 66.02 66.49 2k3d s SER 72 CO -0.04 -0.23 1.06 -0.94 0.41 0.00 0.00 173.24 173.50 2k3d s SER 73 N -2.09 1.88 0.10 2.44 1.04 -0.98 -4.57 113.70 111.52 2k3d s SER 73 Ca -0.00 1.42 -0.24 0.00 0.48 0.00 0.00 55.95 57.60 2k3d s SER 73 Cb -0.06 -2.13 -0.11 0.00 0.10 0.00 0.00 66.02 63.82 2k3d s SER 73 CO 0.00 -3.63 1.70 -0.33 0.98 0.00 0.00 173.24 171.96 2k3d h GLU 74 N -2.23 -0.22 -0.46 4.02 4.39 -1.93 0.71 114.58 118.86 2k3d h GLU 74 Ca -0.57 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.09 2k3d h GLU 74 Cb 1.32 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 30.01 2k3d h GLU 74 CO 0.53 -0.14 0.09 0.93 -1.16 0.00 0.00 179.01 179.25 2k3d h GLU 75 N -0.23 0.76 -0.70 2.33 5.08 -1.92 -2.29 114.58 117.61 2k3d h GLU 75 Ca 0.02 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2k3d h GLU 75 Cb 0.23 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2k3d h GLU 75 CO -0.06 0.76 0.22 1.25 -1.00 0.00 0.00 179.01 180.19 2k3d h LEU 76 N 0.63 1.00 -1.13 1.33 5.85 -1.78 -2.30 115.31 118.91 2k3d h LEU 76 Ca 0.14 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2k3d h LEU 76 Cb 0.36 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2k3d h LEU 76 CO 0.01 0.93 0.44 -0.78 -0.34 0.00 0.00 178.44 178.70 2k3d h ASP 77 N 1.04 0.92 -0.26 1.25 1.82 0.72 -1.77 116.42 120.14 2k3d h ASP 77 Ca 0.23 -0.06 -0.10 0.00 -0.39 0.00 0.00 57.03 56.71 2k3d h ASP 77 Cb 0.29 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.05 2k3d h ASP 77 CO -0.01 0.72 -0.17 0.11 -1.61 0.00 0.00 179.24 178.28 2k3d h LYS 78 N 1.05 0.70 -0.69 0.28 1.57 -0.89 -2.95 116.57 115.64 2k3d h LYS 78 Ca 0.27 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2k3d h LYS 78 Cb -0.01 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2k3d h LYS 78 CO -0.05 0.83 0.27 0.52 -0.57 0.00 0.00 179.45 180.45 2k3d h MET 79 N 0.63 1.04 -5.10 3.15 2.86 -0.83 -3.41 114.93 113.26 2k3d h MET 79 Ca 0.10 -0.19 -0.48 0.00 -2.06 0.00 0.00 59.70 57.07 2k3d h MET 79 Cb 0.64 -0.17 -0.07 0.00 0.06 0.00 0.00 31.60 32.06 2k3d h MET 79 CO 0.05 0.87 1.74 1.19 1.06 0.00 0.00 176.91 181.81 2k3d n PHE 80 N -4.37 0.68 -0.04 -0.22 3.01 -0.91 -4.73 117.46 110.87 2k3d n PHE 80 Ca 0.05 0.31 -0.06 0.00 1.01 0.00 0.00 57.45 58.76 2k3d n PHE 80 Cb 0.18 -2.32 0.13 0.00 -0.01 0.00 0.00 39.48 37.46 2k3d n PHE 80 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2k3d h GLN 81 N 13.19 0.65 -6.20 -1.08 4.15 -1.71 -3.44 115.11 120.68 2k3d h GLN 81 Ca -0.07 -0.26 -0.60 0.00 0.77 0.00 0.00 58.65 58.48 2k3d h GLN 81 Cb 1.29 -0.03 -0.08 0.00 0.21 0.00 0.00 27.48 28.87 2k3d h GLN 81 CO 1.36 0.84 -0.59 -1.21 -1.93 0.00 0.00 178.83 177.31 2k3d s GLU 82 N -4.53 2.86 1.00 1.69 2.02 -1.26 -5.11 118.70 115.37 2k3d s GLU 82 Ca -0.08 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 53.99 2k3d s GLU 82 Cb 0.13 -2.67 0.19 0.00 0.10 0.00 0.00 34.13 31.88 2k3d s GLU 82 CO 0.82 0.52 1.08 -1.25 0.02 0.00 0.00 175.26 176.45 2k3d s PRO 83 N -2.77 0.42 0.36 0.39 0.04 -1.26 -4.96 135.00 127.22 2k3d s PRO 83 Ca 0.30 0.73 -0.28 0.00 0.04 0.00 0.00 61.00 61.78 2k3d s PRO 83 Cb -0.11 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.61 2k3d s PRO 83 CO 0.22 -2.79 1.39 1.03 0.04 0.00 0.00 177.00 176.89 2k3d s ARG 84 N -4.84 4.20 0.00 4.56 0.52 -1.26 -4.94 118.95 117.20 2k3d s ARG 84 Ca 0.65 2.38 0.00 0.00 -0.52 0.00 0.00 55.73 58.24 2k3d s ARG 84 Cb -0.20 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.28 2k3d s ARG 84 CO 0.59 -0.38 0.00 1.63 0.02 0.00 0.00 175.30 177.16 2k3d n LYS 85 N 0.58 0.00 -3.61 3.54 5.02 -1.26 -5.19 118.16 117.23 2k3d n LYS 85 Ca 0.01 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.27 2k3d n LYS 85 Cb 0.41 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.40 2k3d n LYS 85 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2k3d s GLY 86 N 0.00 -0.28 0.17 0.72 0.00 -1.26 -5.01 107.32 101.67 2k3d s GLY 86 Ca 0.00 1.63 -0.14 0.00 0.00 0.00 0.00 44.72 46.21 2k3d s GLY 86 CO 0.00 0.53 1.80 -1.82 0.00 0.00 0.00 173.10 173.61 2k3d h TYR 87 N 2.00 0.71 -0.99 1.90 3.20 -1.89 -2.55 116.97 119.34 2k3d h TYR 87 Ca -0.09 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.82 2k3d h TYR 87 Cb 1.15 -0.23 -0.06 0.00 1.54 0.00 0.00 36.73 39.14 2k3d h TYR 87 CO 0.29 0.49 0.65 0.22 -1.64 0.00 0.00 178.16 178.17 2k3d h ASP 88 N 0.72 1.08 0.48 -2.11 3.58 -1.96 0.44 116.42 118.65 2k3d h ASP 88 Ca 0.19 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.61 2k3d h ASP 88 Cb -0.01 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 2k3d h ASP 88 CO -0.04 0.74 -0.33 -0.33 -2.88 0.00 0.00 179.24 176.41 2k3d h GLU 89 N 1.26 -0.75 0.00 0.28 4.39 -1.85 -1.96 114.58 115.94 2k3d h GLU 89 Ca 0.39 0.05 -0.04 0.00 0.34 0.00 0.00 59.36 60.11 2k3d h GLU 89 Cb -0.01 0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 2k3d h GLU 89 CO -0.12 -0.50 -0.17 -0.84 -1.16 0.00 0.00 179.01 176.21 2k3d h ILE 90 N -0.78 0.74 -0.46 3.13 3.07 -1.34 -2.47 117.51 119.40 2k3d h ILE 90 Ca -0.05 -0.70 -0.05 0.00 1.55 0.00 0.00 64.86 65.61 2k3d h ILE 90 Cb 0.65 1.43 -0.02 0.00 -0.27 0.00 0.00 36.82 38.61 2k3d h ILE 90 CO 0.03 0.17 0.09 0.25 -1.05 0.00 0.00 178.15 177.64 2k3d h LEU 91 N 0.00 0.65 -1.92 0.16 6.46 -0.18 -2.18 115.31 118.29 2k3d h LEU 91 Ca -0.00 -0.11 0.24 0.00 -0.12 0.00 0.00 57.88 57.88 2k3d h LEU 91 Cb 0.42 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.14 2k3d h LEU 91 CO 0.02 0.66 0.60 -0.33 -0.62 0.00 0.00 178.44 178.77 2k3d h GLU 92 N 0.67 0.06 -2.27 1.25 4.39 -0.92 -3.38 114.58 114.39 2k3d h GLU 92 Ca 0.15 -0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 2k3d h GLU 92 Cb 0.29 -0.01 -0.25 0.00 -0.10 0.00 0.00 28.75 28.67 2k3d h GLU 92 CO 0.00 0.04 -0.29 -3.38 -1.16 0.00 0.00 179.01 174.23 2k3d s HIS 93 N -5.05 -1.02 0.15 4.33 -3.43 -0.82 -5.03 115.29 104.43 2k3d s HIS 93 Ca -0.06 1.79 -0.11 0.00 -0.80 0.00 0.00 55.06 55.89 2k3d s HIS 93 Cb 0.21 0.48 0.01 0.00 -1.43 0.00 0.00 32.58 31.85 2k3d s HIS 93 CO 0.77 -0.57 1.56 0.45 -2.00 0.00 0.00 174.74 174.95 2k3d h HIS 94 N 8.11 1.07 -2.88 0.38 3.86 -1.76 -3.45 115.15 120.48 2k3d h HIS 94 Ca -0.17 -0.23 -0.05 0.00 -1.16 0.00 0.00 60.37 58.76 2k3d h HIS 94 Cb 1.11 -0.26 -0.15 0.00 1.06 0.00 0.00 27.41 29.17 2k3d h HIS 94 CO 0.23 1.03 0.07 -3.38 0.86 0.00 0.00 177.93 176.74 2k3d s HIS 95 N -4.79 -0.43 -0.08 2.45 -3.43 -1.26 -5.08 115.29 102.67 2k3d s HIS 95 Ca -0.12 0.38 -0.05 0.00 -0.80 0.00 0.00 55.06 54.47 2k3d s HIS 95 Cb 0.12 0.38 0.03 0.00 -1.43 0.00 0.00 32.58 31.68 2k3d s HIS 95 CO 0.85 -0.70 0.20 -1.58 -2.00 0.00 0.00 174.74 171.51 2k3d s HIS 96 N -2.91 -0.24 -0.24 0.38 5.04 -1.26 -5.13 115.29 110.94 2k3d s HIS 96 Ca -0.03 0.59 -0.16 0.00 -1.54 0.00 0.00 55.06 53.92 2k3d s HIS 96 Cb -0.00 0.03 -0.04 0.00 0.04 0.00 0.00 32.58 32.61 2k3d s HIS 96 CO -0.05 -0.15 0.41 -1.58 -2.34 0.00 0.00 174.74 171.03 2k3d s HIS 97 N 0.66 3.31 0.00 3.88 2.46 -1.26 -5.28 115.29 119.06 2k3d s HIS 97 Ca -0.05 0.55 0.00 0.00 0.47 0.00 0.00 55.06 56.04 2k3d s HIS 97 Cb -0.06 -2.58 0.00 0.00 -0.13 0.00 0.00 32.58 29.81 2k3d s HIS 97 CO -0.04 -0.14 0.00 -2.39 -2.47 0.00 0.00 174.74 169.71