#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 0.95 -0.53 0.00 0.04 -2.05 -2.40 116.94 112.94 2k3d h PHE 13 Ca 0.00 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.67 2k3d h PHE 13 Cb 0.00 -0.28 -0.02 0.00 2.20 0.00 0.00 35.95 37.84 2k3d h PHE 13 CO 0.00 0.77 0.26 0.74 -0.60 0.00 0.00 178.31 179.48 2k3d h PHE 14 N 0.86 0.77 -0.67 -0.55 0.04 -2.02 -1.54 116.94 113.83 2k3d h PHE 14 Ca 0.20 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.91 2k3d h PHE 14 Cb 0.24 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 2k3d h PHE 14 CO 0.01 0.60 0.31 -0.97 -0.60 0.00 0.00 178.31 177.66 2k3d h ASN 15 N 0.71 0.88 -0.50 2.17 -1.24 -1.96 -1.83 115.58 113.81 2k3d h ASN 15 Ca 0.18 -0.14 -0.11 0.00 0.71 0.00 0.00 56.30 56.95 2k3d h ASN 15 Cb 0.12 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.92 2k3d h ASN 15 CO -0.02 0.77 -0.09 -0.33 -1.29 0.00 0.00 177.43 176.47 2k3d h GLU 16 N 0.93 0.97 -0.61 6.67 4.39 -1.20 -2.61 114.58 123.12 2k3d h GLU 16 Ca 0.23 -0.34 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 2k3d h GLU 16 Cb 0.13 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2k3d h GLU 16 CO -0.03 1.01 0.01 1.96 -1.16 0.00 0.00 179.01 180.81 2k3d h GLN 17 N 0.87 1.06 -0.56 2.33 1.08 -1.01 -1.57 115.11 117.31 2k3d h GLN 17 Ca 0.14 -0.33 -0.03 0.00 -1.45 0.00 0.00 58.65 56.98 2k3d h GLN 17 Cb 0.63 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.94 2k3d h GLN 17 CO 0.04 1.03 0.24 0.87 -0.95 0.00 0.00 178.83 180.06 2k3d h LYS 18 N 0.97 0.83 -0.35 1.46 1.57 -1.18 0.37 116.57 120.24 2k3d h LYS 18 Ca 0.18 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 2k3d h LYS 18 Cb 0.54 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 2k3d h LYS 18 CO 0.03 0.71 -0.10 0.93 -0.57 0.00 0.00 179.45 180.45 2k3d h GLU 19 N 0.77 0.68 -0.50 3.15 5.08 -1.31 -1.78 114.58 120.68 2k3d h GLU 19 Ca 0.19 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2k3d h GLU 19 Cb 0.18 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2k3d h GLU 19 CO -0.02 0.85 0.06 0.87 -1.00 0.00 0.00 179.01 179.78 2k3d h LYS 20 N 0.47 0.83 -0.45 2.33 1.57 -1.12 -2.20 116.57 118.01 2k3d h LYS 20 Ca 0.09 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 2k3d h LYS 20 Cb 0.61 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2k3d h LYS 20 CO 0.04 0.84 0.11 0.28 -0.57 0.00 0.00 179.45 180.15 2k3d h VAL 21 N 0.71 1.23 -0.14 0.50 2.07 -0.87 0.21 116.25 119.96 2k3d h VAL 21 Ca 0.15 -0.81 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 2k3d h VAL 21 Cb 0.43 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 2k3d h VAL 21 CO 0.01 0.29 0.08 0.74 0.02 0.00 0.00 177.57 178.71 2k3d h THR 22 N 0.60 1.08 -0.58 2.57 2.02 -1.21 0.12 112.91 117.49 2k3d h THR 22 Ca 0.14 -0.20 -0.09 0.00 0.77 0.00 0.00 66.41 67.04 2k3d h THR 22 Cb 0.32 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2k3d h THR 22 CO 0.00 0.07 0.03 0.25 0.37 0.00 0.00 175.52 176.24 2k3d h LEU 23 N 0.15 0.98 -0.12 2.58 5.85 -1.29 -0.35 115.31 123.12 2k3d h LEU 23 Ca 0.05 -0.29 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 2k3d h LEU 23 Cb 0.04 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2k3d h LEU 23 CO -0.01 1.04 0.07 0.22 -0.34 0.00 0.00 178.44 179.42 2k3d h TYR 24 N 0.90 0.15 -0.56 1.25 5.03 -0.24 -1.59 116.97 121.92 2k3d h TYR 24 Ca 0.17 -0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.41 2k3d h TYR 24 Cb 0.51 -0.05 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 2k3d h TYR 24 CO 0.04 0.15 0.09 -0.07 -1.32 0.00 0.00 178.16 177.05 2k3d h LEU 25 N 0.11 0.88 -0.62 2.82 3.38 -0.67 -2.55 115.31 118.66 2k3d h LEU 25 Ca 0.04 -0.26 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2k3d h LEU 25 Cb 0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2k3d h LEU 25 CO -0.01 0.91 0.39 0.50 0.09 0.00 0.00 178.44 180.33 2k3d h LYS 26 N 0.81 0.76 -0.32 1.13 3.64 -0.80 0.66 116.57 122.46 2k3d h LYS 26 Ca 0.17 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 59.37 2k3d h LYS 26 Cb 0.41 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 2k3d h LYS 26 CO 0.01 0.50 -0.33 0.45 -2.27 0.00 0.00 179.45 177.81 2k3d h HIS 27 N 0.78 0.81 -0.01 1.91 3.86 -1.18 -2.59 115.15 118.74 2k3d h HIS 27 Ca 0.24 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2k3d h HIS 27 Cb -0.02 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.27 2k3d h HIS 27 CO -0.04 0.94 -0.19 0.09 0.86 0.00 0.00 177.93 179.59 2k3d n ASN 28 N -4.07 0.71 -3.54 2.45 4.13 -0.97 -4.54 115.26 109.43 2k3d n ASN 28 Ca -0.01 -0.68 -0.29 0.00 1.68 0.00 0.00 54.58 55.28 2k3d n ASN 28 Cb 0.49 0.02 -0.13 0.00 -1.54 0.00 0.00 39.78 38.61 2k3d n ASN 28 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2k3d s ILE 29 N -2.52 0.26 -0.15 2.41 1.01 0.23 -2.44 121.20 120.00 2k3d s ILE 29 Ca 0.26 -1.42 0.30 0.00 0.00 0.00 0.00 60.65 59.79 2k3d s ILE 29 Cb 0.20 -1.20 0.35 0.00 0.01 0.00 0.00 42.46 41.81 2k3d s ILE 29 CO 0.50 -0.86 1.86 1.55 0.00 0.00 0.00 174.94 178.00 2k3d h PRO 30 N 7.59 0.00 -0.37 2.79 0.13 -1.79 -2.54 132.00 137.81 2k3d h PRO 30 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 2k3d h PRO 30 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2k3d h PRO 30 CO 0.37 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.89 2k3d n ASP 31 N -2.85 2.43 -4.52 1.44 8.00 -1.26 -4.95 116.55 114.83 2k3d n ASP 31 Ca 0.02 -1.91 -0.33 0.00 0.71 0.00 0.00 54.79 53.27 2k3d n ASP 31 Cb 0.33 -0.24 0.12 0.00 -0.02 0.00 0.00 41.12 41.31 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 0.82 -0.46 0.05 1.24 7.35 -0.96 -4.94 117.46 120.55 2k3d n PHE 32 Ca 0.17 0.31 0.00 0.00 -0.76 0.00 0.00 57.45 57.17 2k3d n PHE 32 Cb 0.41 -1.90 0.00 0.00 0.35 0.00 0.00 39.48 38.34 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 -1.99 -0.34 -3.76 -2.13 5.15 -1.26 -5.08 115.26 105.85 2k3d n ASN 33 Ca 0.09 0.16 -0.13 0.00 -0.60 0.00 0.00 54.58 54.11 2k3d n ASN 33 Cb 0.52 0.46 -0.08 0.00 -0.53 0.00 0.00 39.78 40.15 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 -2.00 0.06 -0.03 -0.44 -1.32 -1.26 -4.98 115.64 105.67 2k3d s THR 34 Ca 0.00 -0.53 0.04 0.00 -1.21 0.00 0.00 61.69 59.99 2k3d s THR 34 Cb 0.00 -0.71 -0.00 0.00 -1.51 0.00 0.00 72.50 70.28 2k3d s THR 34 CO 0.00 -0.29 -0.15 0.54 -2.21 0.00 0.00 174.62 172.51 2k3d s VAL 35 N -1.67 1.20 -0.26 5.08 0.11 -1.26 -1.64 120.40 121.97 2k3d s VAL 35 Ca -0.11 -0.61 0.00 0.00 -2.93 0.00 0.00 61.98 58.32 2k3d s VAL 35 Cb -0.04 -1.03 0.04 0.00 -1.53 0.00 0.00 36.38 33.83 2k3d s VAL 35 CO 0.02 0.35 -0.07 -0.89 -3.33 0.00 0.00 175.10 171.18 2k3d s THR 36 N -0.07 2.62 0.34 5.04 2.01 -0.16 -4.98 115.64 120.44 2k3d s THR 36 Ca -0.00 -1.33 -0.24 0.00 0.31 0.00 0.00 61.69 60.43 2k3d s THR 36 Cb -0.09 -2.44 -0.10 0.00 0.01 0.00 0.00 72.50 69.89 2k3d s THR 36 CO 0.01 0.05 0.92 -0.36 -0.69 0.00 0.00 174.62 174.55 2k3d s PHE 37 N 1.23 3.61 -0.28 4.92 0.08 -1.26 -2.12 117.98 124.15 2k3d s PHE 37 Ca -0.04 1.70 0.00 0.00 0.12 0.00 0.00 56.93 58.71 2k3d s PHE 37 Cb -0.18 -2.88 0.17 0.00 -0.57 0.00 0.00 43.02 39.56 2k3d s PHE 37 CO -0.04 0.15 0.48 0.95 -0.10 0.00 0.00 175.22 176.67 2k3d s THR 38 N -1.73 -0.79 0.00 0.64 -4.23 0.72 -4.90 115.64 105.34 2k3d s THR 38 Ca 0.52 -0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 2k3d s THR 38 Cb -0.16 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.74 2k3d s THR 38 CO 0.21 -0.10 0.00 0.59 -0.54 0.00 0.00 174.62 174.78 2k3d n ASN 39 N 5.39 0.00 -2.19 3.99 5.03 -1.26 -0.68 115.26 125.54 2k3d n ASN 39 Ca -0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.44 2k3d n ASN 39 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 2k3d n ASN 39 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2k3d n GLU 40 N 0.00 -4.36 -0.07 3.52 2.13 -1.26 -3.33 120.64 117.27 2k3d n GLU 40 Ca 0.00 3.12 0.00 0.00 0.66 0.00 0.00 57.16 60.94 2k3d n GLU 40 Cb 0.00 -3.81 0.00 0.00 0.27 0.00 0.00 31.44 27.90 2k3d n GLU 40 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k3d n GLU 41 N 1.89 -0.19 -4.10 5.31 0.00 -1.26 -4.64 120.64 117.65 2k3d n GLU 41 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 57.16 57.17 2k3d n GLU 41 Cb 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 31.44 31.17 2k3d n GLU 41 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2k3d s PHE 42 N -2.31 0.80 0.67 4.31 0.08 -1.26 -3.84 117.98 116.43 2k3d s PHE 42 Ca 0.00 -0.57 -0.13 0.00 0.12 0.00 0.00 56.93 56.35 2k3d s PHE 42 Cb 0.00 -0.47 0.00 0.00 -0.57 0.00 0.00 43.02 41.98 2k3d s PHE 42 CO 0.00 -0.07 1.08 -0.80 -0.10 0.00 0.00 175.22 175.33 2k3d s ASN 43 N -1.89 5.28 0.05 1.36 0.02 -1.09 -4.66 114.94 114.00 2k3d s ASN 43 Ca -0.05 1.81 -0.09 0.00 -1.02 0.00 0.00 52.86 53.52 2k3d s ASN 43 Cb -0.07 -2.53 -0.02 0.00 0.02 0.00 0.00 41.25 38.65 2k3d s ASN 43 CO -0.00 -1.51 1.03 -2.65 0.02 0.00 0.00 177.10 173.99 2k3d n PRO 44 N -2.68 -0.13 -0.04 -0.60 -0.02 -1.26 -3.41 135.00 126.87 2k3d n PRO 44 Ca 0.09 1.02 -0.02 0.00 -2.02 0.00 0.00 63.50 62.57 2k3d n PRO 44 Cb 0.53 -1.52 -0.10 0.00 -0.02 0.00 0.00 33.50 32.39 2k3d n PRO 44 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2k3d n ILE 45 N -3.60 0.56 -1.54 4.25 2.08 -1.26 -5.01 119.36 114.85 2k3d n ILE 45 Ca 0.01 -0.44 0.00 0.00 0.56 0.00 0.00 62.75 62.87 2k3d n ILE 45 Cb 0.07 -0.39 0.00 0.00 -0.75 0.00 0.00 39.64 38.58 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 2.09 1.20 3.35 7.39 0.00 -1.22 -5.12 105.19 112.89 2k3d n GLY 46 Ca -0.14 -1.94 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 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 1.41 2.13 -0.15 -0.61 -4.36 -1.26 -2.68 121.20 115.67 2k3d s ILE 47 Ca 0.00 -1.50 -0.02 0.00 -0.26 0.00 0.00 60.65 58.87 2k3d s ILE 47 Cb 0.00 -1.85 -0.02 0.00 1.25 0.00 0.00 42.46 41.84 2k3d s ILE 47 CO 0.00 0.26 -0.07 -0.55 0.24 0.00 0.00 174.94 174.82 2k3d s SER 48 N -1.51 4.41 -0.15 4.36 0.15 -1.25 0.98 113.70 120.70 2k3d s SER 48 Ca 0.12 -0.25 0.00 0.00 0.70 0.00 0.00 55.95 56.52 2k3d s SER 48 Cb -0.10 -1.71 -0.01 0.00 -1.71 0.00 0.00 66.02 62.50 2k3d s SER 48 CO 0.03 0.14 -0.14 -0.63 1.20 0.00 0.00 173.24 173.84 2k3d s ILE 49 N 0.52 2.85 0.17 6.45 1.01 0.02 -4.56 121.20 127.67 2k3d s ILE 49 Ca -0.05 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 59.96 2k3d s ILE 49 Cb -0.15 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2k3d s ILE 49 CO 0.03 0.52 -0.08 -0.62 0.00 0.00 0.00 174.94 174.78 2k3d s ASP 50 N 0.63 4.32 -0.05 3.58 2.15 0.14 -1.18 116.67 126.26 2k3d s ASP 50 Ca -0.08 -0.54 -0.16 0.00 0.43 0.00 0.00 52.55 52.20 2k3d s ASP 50 Cb -0.16 -0.76 0.05 0.00 -0.30 0.00 0.00 42.92 41.75 2k3d s ASP 50 CO 0.03 0.11 0.71 0.61 -0.17 0.00 0.00 175.17 176.46 2k3d n GLY 51 N 0.07 0.25 3.42 2.66 0.00 -0.88 0.26 105.19 110.96 2k3d n GLY 51 Ca -0.11 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 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 -2.07 0.30 0.26 1.61 1.13 -0.90 -0.78 117.35 116.90 2k3d s TYR 52 Ca 0.17 -0.66 0.11 0.00 -1.41 0.00 0.00 57.07 55.29 2k3d s TYR 52 Cb -0.00 0.07 -0.05 0.00 -1.10 0.00 0.00 41.96 40.89 2k3d s TYR 52 CO -0.01 -0.81 -0.18 0.96 -2.51 0.00 0.00 175.55 173.00 2k3d s ILE 53 N -3.96 2.62 -1.47 -3.49 -4.36 -0.97 -0.99 121.20 108.58 2k3d s ILE 53 Ca 0.17 -2.25 -0.08 0.00 -0.26 0.00 0.00 60.65 58.23 2k3d s ILE 53 Cb 0.02 -2.36 0.03 0.00 1.25 0.00 0.00 42.46 41.40 2k3d s ILE 53 CO 0.02 -0.34 0.75 0.59 0.24 0.00 0.00 174.94 176.20 2k3d n ASN 54 N -0.49 -5.51 -1.59 4.36 3.02 -0.65 -1.65 115.26 112.76 2k3d n ASN 54 Ca -0.07 -0.43 -0.05 0.00 -0.03 0.00 0.00 54.58 54.00 2k3d n ASN 54 Cb 0.59 -4.43 -0.02 0.00 -0.61 0.00 0.00 39.78 35.31 2k3d n ASN 54 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2k3d n ASN 55 N -2.62 -1.68 -4.39 6.41 0.23 -1.26 -4.87 115.26 107.09 2k3d n ASN 55 Ca -0.05 0.21 -0.39 0.00 -0.53 0.00 0.00 54.58 53.83 2k3d n ASN 55 Cb 0.58 -1.73 -0.12 0.00 -2.08 0.00 0.00 39.78 36.43 2k3d n ASN 55 CO 0.00 0.00 0.00 -1.81 -0.93 0.00 0.00 177.26 174.52 2k3d s ASP 56 N -1.63 5.46 0.50 0.53 1.01 -0.66 -4.95 116.67 116.93 2k3d s ASP 56 Ca 0.00 -0.70 0.14 0.00 0.71 0.00 0.00 52.55 52.70 2k3d s ASP 56 Cb 0.00 -1.97 1.19 0.00 1.01 0.00 0.00 42.92 43.15 2k3d s ASP 56 CO 0.00 -0.24 2.13 0.11 0.21 0.00 0.00 175.17 177.37 2k3d h LYS 57 N 8.33 0.09 -0.76 8.23 1.57 -1.89 -1.66 116.57 130.48 2k3d h LYS 57 Ca -0.30 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.45 2k3d h LYS 57 Cb 1.13 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.38 2k3d h LYS 57 CO 0.62 0.07 0.36 -0.91 -0.57 0.00 0.00 179.45 179.03 2k3d h ASN 58 N 0.09 0.98 -0.44 0.86 2.35 -1.93 -3.13 115.58 114.35 2k3d h ASN 58 Ca 0.02 -0.11 -0.71 0.00 -0.55 0.00 0.00 56.30 54.96 2k3d h ASN 58 Cb 0.01 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 2k3d h ASN 58 CO -0.00 0.83 3.14 0.18 -1.65 0.00 0.00 177.43 179.93 2k3d n LEU 59 N -4.32 7.94 -4.92 1.61 4.77 -0.62 -4.51 117.00 116.94 2k3d n LEU 59 Ca 0.07 -4.48 -0.26 0.00 -0.03 0.00 0.00 56.01 51.32 2k3d n LEU 59 Cb 0.14 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.70 2k3d n LEU 59 CO 0.39 1.78 0.37 -0.94 -1.33 0.00 0.00 177.39 177.66 2k3d s SER 60 N 1.81 6.17 -0.01 -1.43 1.04 -1.19 -2.30 113.70 117.79 2k3d s SER 60 Ca 0.57 0.73 -0.18 0.00 0.48 0.00 0.00 55.95 57.55 2k3d s SER 60 Cb 0.16 -2.08 0.03 0.00 0.10 0.00 0.00 66.02 64.24 2k3d s SER 60 CO -0.07 -0.57 0.39 0.72 0.98 0.00 0.00 173.24 174.70 2k3d s PHE 61 N -2.64 -0.27 -0.03 5.02 -0.12 0.04 -2.30 117.98 117.67 2k3d s PHE 61 Ca 0.46 0.39 0.01 0.00 -0.05 0.00 0.00 56.93 57.75 2k3d s PHE 61 Cb -0.10 0.17 0.01 0.00 -0.63 0.00 0.00 43.02 42.47 2k3d s PHE 61 CO 0.42 -0.46 -0.05 0.99 -0.05 0.00 0.00 175.22 176.07 2k3d s THR 62 N -1.53 0.50 -0.05 -4.49 2.01 -0.92 -2.08 115.64 109.08 2k3d s THR 62 Ca -0.12 -0.18 0.05 0.00 0.31 0.00 0.00 61.69 61.76 2k3d s THR 62 Cb -0.03 -0.49 -0.01 0.00 0.01 0.00 0.00 72.50 71.98 2k3d s THR 62 CO 0.04 0.19 -0.21 0.00 -0.69 0.00 0.00 174.62 173.95 2k3d s ALA 63 N 0.46 1.81 -0.85 7.40 0.00 -0.33 -0.27 121.76 129.98 2k3d s ALA 63 Ca -0.06 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 50.91 2k3d s ALA 63 Cb -0.09 -0.57 0.22 0.00 0.00 0.00 0.00 23.12 22.68 2k3d s ALA 63 CO -0.00 0.35 0.80 0.20 0.00 0.00 0.00 175.76 177.11 2k3d s GLY 64 N -0.11 2.72 0.00 0.00 0.00 -1.06 -0.80 107.32 108.08 2k3d s GLY 64 Ca -0.02 -3.38 0.00 0.00 0.00 0.00 0.00 44.72 41.32 2k3d s GLY 64 CO 0.02 1.26 0.00 1.17 0.00 0.00 0.00 173.10 175.56 2k3d n LYS 65 N 3.83 0.00 -3.19 2.90 4.81 0.27 -4.64 118.16 122.15 2k3d n LYS 65 Ca 0.15 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.20 2k3d n LYS 65 Cb 0.46 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.46 2k3d n LYS 65 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2k3d s ASP 66 N -0.85 6.82 0.00 3.14 1.01 -1.26 -4.91 116.67 120.62 2k3d s ASP 66 Ca 0.00 0.98 0.04 0.00 0.71 0.00 0.00 52.55 54.28 2k3d s ASP 66 Cb 0.00 -2.34 0.24 0.00 1.01 0.00 0.00 42.92 41.83 2k3d s ASP 66 CO 0.00 -0.06 0.76 0.52 0.21 0.00 0.00 175.17 176.60 2k3d n VAL 67 N 3.73 0.14 -0.25 -1.27 0.31 -1.26 -2.29 118.33 117.45 2k3d n VAL 67 Ca -0.04 0.04 -0.06 0.00 -0.01 0.00 0.00 64.34 64.26 2k3d n VAL 67 Cb 0.51 -0.97 0.05 0.00 -0.91 0.00 0.00 33.84 32.52 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 1.02 -4.85 5.55 3.64 -1.90 -3.39 116.57 116.64 2k3d h LYS 68 Ca 0.00 -0.17 -0.67 0.00 -1.27 0.00 0.00 60.65 58.53 2k3d h LYS 68 Cb 0.01 -0.17 -0.35 0.00 -0.41 0.00 0.00 32.23 31.30 2k3d h LYS 68 CO 0.00 0.83 -0.76 0.42 -2.27 0.00 0.00 179.45 177.67 2k3d s ILE 69 N -5.61 2.52 -0.04 2.00 1.01 -0.97 -4.97 121.20 115.15 2k3d s ILE 69 Ca -0.13 -1.44 -0.01 0.00 0.00 0.00 0.00 60.65 59.07 2k3d s ILE 69 Cb 0.14 -2.43 0.03 0.00 0.01 0.00 0.00 42.46 40.22 2k3d s ILE 69 CO 0.81 0.00 0.06 0.72 0.00 0.00 0.00 174.94 176.54 2k3d s PHE 70 N 1.19 -0.01 0.70 3.97 -0.71 -1.26 -2.57 117.98 119.29 2k3d s PHE 70 Ca -0.06 0.25 -0.08 0.00 -1.04 0.00 0.00 56.93 56.00 2k3d s PHE 70 Cb -0.19 -0.27 0.05 0.00 -1.21 0.00 0.00 43.02 41.39 2k3d s PHE 70 CO -0.04 -0.14 1.03 -1.54 -1.34 0.00 0.00 175.22 173.19 2k3d s SER 71 N 1.44 4.99 0.06 1.98 1.04 0.63 -4.89 113.70 118.94 2k3d s SER 71 Ca -0.05 0.64 -0.17 0.00 0.48 0.00 0.00 55.95 56.85 2k3d s SER 71 Cb -0.12 -1.35 0.03 0.00 0.10 0.00 0.00 66.02 64.68 2k3d s SER 71 CO -0.04 -1.52 0.39 -0.94 0.98 0.00 0.00 173.24 172.12 2k3d s SER 72 N -4.47 -0.25 0.81 7.02 1.04 -1.26 -2.18 113.70 114.42 2k3d s SER 72 Ca 0.59 -0.10 -0.12 0.00 0.48 0.00 0.00 55.95 56.80 2k3d s SER 72 Cb -0.11 0.42 0.08 0.00 0.10 0.00 0.00 66.02 66.52 2k3d s SER 72 CO 0.46 -0.70 1.11 -0.94 0.98 0.00 0.00 173.24 174.15 2k3d s SER 73 N -2.19 4.39 0.16 7.02 1.04 -0.97 -4.85 113.70 118.29 2k3d s SER 73 Ca -0.03 1.20 -0.14 0.00 0.48 0.00 0.00 55.95 57.45 2k3d s SER 73 Cb -0.00 -1.89 0.05 0.00 0.10 0.00 0.00 66.02 64.28 2k3d s SER 73 CO -0.05 -2.02 1.76 -0.33 0.98 0.00 0.00 173.24 173.58 2k3d h GLU 74 N -1.13 0.73 -0.39 4.02 4.39 -1.92 -1.42 114.58 118.86 2k3d h GLU 74 Ca -0.47 -0.10 -0.15 0.00 0.34 0.00 0.00 59.36 58.98 2k3d h GLU 74 Cb 1.28 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.78 2k3d h GLU 74 CO 0.61 0.59 -0.34 0.93 -1.16 0.00 0.00 179.01 179.63 2k3d h GLU 75 N 0.69 0.89 -0.42 2.33 3.07 -1.93 -2.94 114.58 116.27 2k3d h GLU 75 Ca 0.18 -0.44 -0.03 0.00 -0.50 0.00 0.00 59.36 58.58 2k3d h GLU 75 Cb 0.08 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 2k3d h GLU 75 CO -0.03 1.08 0.14 1.25 -1.40 0.00 0.00 179.01 180.06 2k3d h LEU 76 N 0.74 0.55 -1.50 1.33 5.85 -1.72 -1.44 115.31 119.12 2k3d h LEU 76 Ca 0.07 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2k3d h LEU 76 Cb 0.91 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.79 2k3d h LEU 76 CO 0.08 0.53 0.09 -0.78 -0.34 0.00 0.00 178.44 178.02 2k3d h ASP 77 N 0.60 0.38 -0.02 1.25 3.58 -1.08 -2.16 116.42 118.97 2k3d h ASP 77 Ca 0.14 -0.04 -0.21 0.00 0.42 0.00 0.00 57.03 57.35 2k3d h ASP 77 Cb 0.17 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.13 2k3d h ASP 77 CO -0.01 0.37 -0.74 0.11 -2.88 0.00 0.00 179.24 176.09 2k3d h LYS 78 N 0.42 0.67 0.33 0.28 1.79 -1.25 -3.36 116.57 115.45 2k3d h LYS 78 Ca 0.10 -0.54 -0.02 0.00 -2.18 0.00 0.00 60.65 58.02 2k3d h LYS 78 Cb 0.14 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2k3d h LYS 78 CO -0.01 1.15 -0.16 0.52 -1.08 0.00 0.00 179.45 179.88 2k3d h MET 79 N 0.46 -0.43 -7.10 3.15 2.86 -0.99 -3.44 114.93 109.45 2k3d h MET 79 Ca -0.04 0.03 -0.56 0.00 -2.06 0.00 0.00 59.70 57.07 2k3d h MET 79 Cb 1.35 0.10 0.16 0.00 0.06 0.00 0.00 31.60 33.27 2k3d h MET 79 CO 0.15 -0.29 0.54 -0.59 1.06 0.00 0.00 176.91 177.78 2k3d s PHE 80 N -3.43 2.10 0.00 -0.22 -0.71 -0.90 -4.97 117.98 109.85 2k3d s PHE 80 Ca -0.06 1.46 0.00 0.00 -1.04 0.00 0.00 56.93 57.28 2k3d s PHE 80 Cb 0.01 -3.73 0.00 0.00 -1.21 0.00 0.00 43.02 38.08 2k3d s PHE 80 CO 0.19 -2.97 0.00 1.04 -1.34 0.00 0.00 175.22 172.14 2k3d n GLN 81 N -1.75 0.00 -4.07 1.99 6.02 -1.02 -4.89 117.38 113.66 2k3d n GLN 81 Ca 0.15 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.82 2k3d n GLN 81 Cb 0.47 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 31.67 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 0.03 3.03 0.44 -1.09 2.02 -1.26 -5.04 118.70 116.83 2k3d s GLU 82 Ca 0.00 -0.55 -0.23 0.00 0.02 0.00 0.00 54.97 54.20 2k3d s GLU 82 Cb 0.00 -2.83 -0.08 0.00 0.10 0.00 0.00 34.13 31.33 2k3d s GLU 82 CO 0.00 0.62 1.15 -1.25 0.02 0.00 0.00 175.26 175.80 2k3d s PRO 83 N -2.01 3.87 0.61 0.39 0.04 -1.26 -4.90 135.00 131.74 2k3d s PRO 83 Ca 0.26 1.75 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 2k3d s PRO 83 Cb -0.12 -2.48 0.02 0.00 0.04 0.00 0.00 34.50 31.96 2k3d s PRO 83 CO 0.18 -0.45 0.91 1.03 0.04 0.00 0.00 177.00 178.71 2k3d s ARG 84 N -2.59 2.77 0.00 4.56 1.81 -1.26 -4.98 118.95 119.25 2k3d s ARG 84 Ca 0.61 -0.10 0.27 0.00 -1.72 0.00 0.00 55.73 54.80 2k3d s ARG 84 Cb -0.28 -2.27 0.90 0.00 -0.45 0.00 0.00 34.95 32.86 2k3d s ARG 84 CO 0.34 -0.80 1.66 1.63 -0.68 0.00 0.00 175.30 177.46 2k3d n LYS 85 N -2.63 0.59 0.00 3.54 5.02 -1.26 -5.00 118.16 118.42 2k3d n LYS 85 Ca 0.05 -0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 2k3d n LYS 85 Cb 0.58 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.10 2k3d n LYS 85 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3d n GLY 86 N 1.36 0.72 0.31 0.72 0.00 -1.26 -4.84 105.19 102.19 2k3d n GLY 86 Ca 0.11 -1.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.61 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 0.00 0.87 0.00 1.61 3.20 -1.95 -1.32 116.97 119.39 2k3d h TYR 87 Ca 0.00 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 2k3d h TYR 87 Cb 0.00 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 2k3d h TYR 87 CO 0.00 0.71 -0.04 -0.44 -1.64 0.00 0.00 178.16 176.76 2k3d h ASP 88 N 0.83 0.00 -0.03 -2.11 3.32 -2.00 -2.98 116.42 113.45 2k3d h ASP 88 Ca 0.19 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.21 2k3d h ASP 88 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 2k3d h ASP 88 CO -0.01 0.04 -0.09 -0.08 -1.72 0.00 0.00 179.24 177.38 2k3d h GLU 89 N 0.00 0.11 -0.79 3.56 4.57 -1.57 -1.99 114.58 118.48 2k3d h GLU 89 Ca -0.00 -0.08 -0.02 0.00 -1.18 0.00 0.00 59.36 58.08 2k3d h GLU 89 Cb 0.56 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 29.13 2k3d h GLU 89 CO 0.00 0.70 0.42 -0.84 -1.18 0.00 0.00 179.01 178.11 2k3d h ILE 90 N -0.45 1.24 -0.65 2.32 3.07 -1.45 -0.28 117.51 121.31 2k3d h ILE 90 Ca -0.00 -0.62 -0.08 0.00 1.55 0.00 0.00 64.86 65.70 2k3d h ILE 90 Cb 0.70 0.21 -0.02 0.00 -0.27 0.00 0.00 36.82 37.44 2k3d h ILE 90 CO 0.02 0.27 0.08 -0.07 -1.05 0.00 0.00 178.15 177.40 2k3d h LEU 91 N 1.10 1.05 -0.60 0.16 3.38 -1.56 -2.92 115.31 115.91 2k3d h LEU 91 Ca 0.28 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2k3d h LEU 91 Cb 0.06 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 2k3d h LEU 91 CO -0.04 1.06 -0.18 -0.08 0.09 0.00 0.00 178.44 179.28 2k3d h GLU 92 N 1.00 0.92 -3.29 1.13 4.22 -0.88 -3.49 114.58 114.19 2k3d h GLU 92 Ca 0.19 -0.37 0.00 0.00 0.08 0.00 0.00 59.36 59.27 2k3d h GLU 92 Cb 0.47 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2k3d h GLU 92 CO 0.02 1.02 -0.80 1.58 -2.18 0.00 0.00 179.01 178.65 2k3d n HIS 93 N -4.12 -3.90 -0.28 0.92 -0.00 -0.16 -4.57 115.22 103.12 2k3d n HIS 93 Ca 0.01 2.07 -0.03 0.00 -0.00 0.00 0.00 57.72 59.76 2k3d n HIS 93 Cb 0.43 -3.24 0.08 0.00 -0.00 0.00 0.00 29.99 27.26 2k3d n HIS 93 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2k3d h HIS 94 N 1.65 0.93 -1.72 1.57 -0.00 -1.90 -3.42 115.15 112.26 2k3d h HIS 94 Ca 0.00 0.02 -0.46 0.00 -0.00 0.00 0.00 60.37 59.94 2k3d h HIS 94 Cb 0.00 -0.31 -0.01 0.00 -0.00 0.00 0.00 27.41 27.09 2k3d h HIS 94 CO 0.00 0.55 -0.36 -1.01 -0.00 0.00 0.00 177.93 177.11 2k3d s HIS 95 N -6.12 2.96 -1.20 2.45 3.76 -1.26 -4.60 115.29 111.28 2k3d s HIS 95 Ca -0.13 -0.30 -0.00 0.00 -0.15 0.00 0.00 55.06 54.47 2k3d s HIS 95 Cb 0.16 -2.03 -0.00 0.00 1.11 0.00 0.00 32.58 31.81 2k3d s HIS 95 CO 0.78 -0.04 0.98 1.58 -0.85 0.00 0.00 174.74 177.19 2k3d n HIS 96 N -1.60 -2.19 0.80 1.40 -0.00 -1.26 -4.88 115.22 107.49 2k3d n HIS 96 Ca 0.01 0.93 0.13 0.00 -0.00 0.00 0.00 57.72 58.80 2k3d n HIS 96 Cb 0.59 -5.02 0.47 0.00 -0.00 0.00 0.00 29.99 26.03 2k3d n HIS 96 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2k3d n HIS 97 N -4.10 0.47 -1.29 1.57 -0.00 -1.26 -4.93 115.22 105.69 2k3d n HIS 97 Ca -0.28 0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 2k3d n HIS 97 Cb 0.67 -0.70 0.00 0.00 -0.00 0.00 0.00 29.99 29.96 2k3d n HIS 97 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95