#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tbc n ASP 2 N 0.00 -3.41 0.00 1.45 2.03 -1.21 -4.95 116.55 110.46 1tbc n ASP 2 Ca 0.00 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 54.19 1tbc n ASP 2 Cb 0.00 -2.66 0.00 0.00 -0.72 0.00 0.00 41.12 37.74 1tbc n ASP 2 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1tbc n PRO 3 N -4.53 0.00 0.08 -0.67 -0.04 -1.26 -4.76 135.00 123.83 1tbc n PRO 3 Ca -0.16 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.19 1tbc n PRO 3 Cb 0.61 -0.06 -0.07 0.00 -0.04 0.00 0.00 33.50 33.94 1tbc n PRO 3 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1tbc h VAL 4 N 0.00 0.77 0.00 0.52 2.07 -1.92 -3.47 116.25 114.21 1tbc h VAL 4 Ca 0.00 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.51 1tbc h VAL 4 Cb 0.00 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 1tbc h VAL 4 CO 0.00 0.19 0.00 0.47 0.02 0.00 0.00 177.57 178.25 1tbc n ASP 5 N -4.97 0.00 -1.90 0.57 8.00 -1.26 -5.13 116.55 111.86 1tbc n ASP 5 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1tbc n ASP 5 Cb 0.26 0.33 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1tbc n ASP 5 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1tbc n PRO 6 N -2.25 0.90 0.04 -0.24 -0.04 -1.26 -3.97 135.00 128.18 1tbc n PRO 6 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 1tbc n PRO 6 Cb 0.00 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.38 1tbc n PRO 6 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 1tbc h ASN 7 N 0.00 -0.16 0.00 3.54 2.35 -1.55 -3.35 115.58 116.41 1tbc h ASN 7 Ca 0.00 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1tbc h ASN 7 Cb 0.00 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1tbc h ASN 7 CO 0.00 0.42 -0.20 2.30 -1.65 0.00 0.00 177.43 178.30 1tbc n ILE 8 N -4.89 0.40 -3.40 2.81 -0.00 -1.26 -4.86 119.36 108.15 1tbc n ILE 8 Ca -0.08 -0.46 -0.21 0.00 -0.00 0.00 0.00 62.75 62.01 1tbc n ILE 8 Cb 0.27 0.55 0.06 0.00 -0.00 0.00 0.00 39.64 40.52 1tbc n ILE 8 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1tbc n GLU 9 N -0.28 -1.93 -0.67 6.28 1.02 -1.26 -4.87 120.64 118.93 1tbc n GLU 9 Ca 0.02 0.72 -0.10 0.00 -0.02 0.00 0.00 57.16 57.79 1tbc n GLU 9 Cb 0.57 -5.24 0.03 0.00 -0.02 0.00 0.00 31.44 26.79 1tbc n GLU 9 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1tbc n PRO 10 N -3.58 1.50 -2.09 3.49 -0.04 -1.26 -4.53 135.00 128.50 1tbc n PRO 10 Ca -0.08 -1.02 -0.39 0.00 -0.04 0.00 0.00 63.50 61.98 1tbc n PRO 10 Cb 0.61 -1.40 0.03 0.00 -0.04 0.00 0.00 33.50 32.70 1tbc n PRO 10 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1tbc n TRP 11 N 0.55 3.01 -3.74 0.54 7.02 -1.26 -4.88 117.44 118.68 1tbc n TRP 11 Ca 0.20 -2.46 -0.26 0.00 -1.02 0.00 0.00 57.50 53.96 1tbc n TRP 11 Cb 0.63 -1.07 -0.17 0.00 -2.42 0.00 0.00 31.31 28.28 1tbc n TRP 11 CO 0.00 0.00 0.00 0.54 -2.02 0.00 0.00 177.69 176.21 1tbc s ASN 12 N -1.39 2.31 0.08 -0.99 2.20 -1.26 -3.87 114.94 112.02 1tbc s ASN 12 Ca 0.50 -0.49 0.01 0.00 -0.94 0.00 0.00 52.86 51.94 1tbc s ASN 12 Cb 0.40 -0.50 -0.04 0.00 -2.00 0.00 0.00 41.25 39.11 1tbc s ASN 12 CO -0.35 -0.26 0.19 -1.00 -2.94 0.00 0.00 177.10 172.74 1tbc s HIS 13 N 1.93 3.44 -0.93 1.54 3.76 -0.53 -4.98 115.29 119.52 1tbc s HIS 13 Ca 0.02 0.19 0.21 0.00 -0.15 0.00 0.00 55.06 55.33 1tbc s HIS 13 Cb -0.15 -1.71 0.89 0.00 1.11 0.00 0.00 32.58 32.73 1tbc s HIS 13 CO -0.07 0.56 1.68 -0.35 -0.85 0.00 0.00 174.74 175.71 1tbc n PRO 14 N 0.17 0.04 -1.21 8.40 -0.04 -1.26 -4.57 135.00 136.52 1tbc n PRO 14 Ca -0.06 0.17 -0.07 0.00 -0.04 0.00 0.00 63.50 63.50 1tbc n PRO 14 Cb 0.52 -1.56 -0.03 0.00 -0.04 0.00 0.00 33.50 32.39 1tbc n PRO 14 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1tbc n GLY 15 N 0.64 0.88 0.00 0.55 0.00 -1.26 -3.64 105.19 102.36 1tbc n GLY 15 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1tbc n GLY 15 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tbc n SER 16 N -0.10 0.00 0.10 1.61 7.64 -1.26 -3.91 113.62 117.71 1tbc n SER 16 Ca -0.07 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.81 1tbc n SER 16 Cb 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.54 1tbc n SER 16 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1tbc n GLN 17 N 0.00 0.00 0.17 1.43 6.02 -1.26 -4.45 117.38 119.29 1tbc n GLN 17 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.02 1tbc n GLN 17 Cb 0.49 -0.05 0.30 0.00 1.02 0.00 0.00 30.24 31.99 1tbc n GLN 17 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1tbc h PRO 18 N 0.00 0.00 0.08 -1.09 0.13 -1.95 1.26 132.00 130.42 1tbc h PRO 18 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 1tbc h PRO 18 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 1tbc h PRO 18 CO 0.00 0.45 -1.72 1.63 -0.23 0.00 0.00 178.00 178.12 1tbc n LYS 19 N -3.75 0.68 -0.02 0.86 4.76 -1.26 -4.35 118.16 115.08 1tbc n LYS 19 Ca -0.01 0.38 -0.16 0.00 -2.87 0.00 0.00 58.31 55.66 1tbc n LYS 19 Cb 0.51 -1.72 -0.11 0.00 -1.84 0.00 0.00 35.03 31.87 1tbc n LYS 19 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 1tbc h THR 20 N -0.35 1.48 0.00 -0.18 2.02 -1.77 -3.47 112.91 110.63 1tbc h THR 20 Ca -0.40 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1tbc h THR 20 Cb 1.75 2.60 0.00 0.00 -1.74 0.00 0.00 68.15 70.76 1tbc h THR 20 CO -0.03 0.55 0.00 0.00 0.37 0.00 0.00 175.52 176.40 1tbc n ALA 21 N -2.54 0.00 0.20 6.16 0.00 0.43 -4.73 120.51 120.03 1tbc n ALA 21 Ca -0.10 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.50 1tbc n ALA 21 Cb 0.56 -0.22 0.78 0.00 0.00 0.00 0.00 19.45 20.56 1tbc n ALA 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tbc h ASN 23 N 0.00 0.00 0.00 0.00 7.08 -1.84 -3.45 115.58 117.36 1tbc h ASN 23 Ca 0.08 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.30 1tbc h ASN 23 Cb 0.37 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.61 1tbc h ASN 23 CO -0.00 0.68 0.00 -2.11 -2.08 0.00 0.00 177.43 173.91 1tbc n ARG 24 N -3.50 0.00 -3.61 4.14 1.85 0.07 -5.08 116.66 110.53 1tbc n ARG 24 Ca -0.00 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.59 1tbc n ARG 24 Cb 0.72 0.00 0.04 0.00 -1.05 0.00 0.00 32.46 32.17 1tbc n ARG 24 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1tbc n HIS 26 N -4.02 -0.76 0.77 0.00 -0.00 -1.26 -4.93 115.22 105.02 1tbc n HIS 26 Ca -0.14 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.70 1tbc n HIS 26 Cb 0.62 0.15 0.07 0.00 -0.00 0.00 0.00 29.99 30.83 1tbc n HIS 26 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1tbc h LYS 28 N 0.00 -0.51 0.00 0.00 3.11 -1.95 -3.33 116.57 113.89 1tbc h LYS 28 Ca 0.00 0.03 -0.14 0.00 -2.81 0.00 0.00 60.65 57.73 1tbc h LYS 28 Cb 0.62 0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.95 1tbc h LYS 28 CO 0.00 -0.34 -0.70 1.57 -2.81 0.00 0.00 179.45 177.17 1tbc h LYS 29 N -0.96 0.00 -3.74 1.90 -0.00 -1.95 -3.44 116.57 108.38 1tbc h LYS 29 Ca -0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 60.65 60.46 1tbc h LYS 29 Cb 0.41 0.00 -0.08 0.00 -0.00 0.00 0.00 32.23 32.56 1tbc h LYS 29 CO 0.09 0.66 -0.19 0.00 -0.00 0.00 0.00 179.45 180.00 1tbc n TYR 32 N -4.57 -0.35 -1.31 0.00 4.11 -0.78 -4.95 117.16 109.30 1tbc n TYR 32 Ca -0.25 -1.57 -0.12 0.00 -0.00 0.00 0.00 57.90 55.95 1tbc n TYR 32 Cb 0.66 0.58 -0.05 0.00 -0.00 0.00 0.00 39.34 40.52 1tbc n TYR 32 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.86 177.58 1tbc n HIS 33 N -0.77 -0.21 0.00 -3.48 8.25 -1.26 -4.47 115.22 113.28 1tbc n HIS 33 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1tbc n HIS 33 Cb 0.86 -2.59 0.00 0.00 1.12 0.00 0.00 29.99 29.38 1tbc n HIS 33 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tbc n GLN 35 N 14.00 0.00 0.00 0.00 6.02 -1.26 -4.57 117.38 131.57 1tbc n GLN 35 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1tbc n GLN 35 Cb 0.00 -1.19 0.00 0.00 1.02 0.00 0.00 30.24 30.07 1tbc n GLN 35 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1tbc n VAL 36 N -1.97 0.00 -2.65 5.09 0.24 -1.26 -3.72 118.33 114.06 1tbc n VAL 36 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 1tbc n VAL 36 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 1tbc n VAL 36 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1tbc n PHE 38 N 8.00 0.00 0.13 0.00 1.16 -1.24 -3.64 117.46 121.87 1tbc n PHE 38 Ca 0.43 0.00 0.17 0.00 -1.87 0.00 0.00 57.45 56.18 1tbc n PHE 38 Cb 0.47 0.00 0.75 0.00 -1.61 0.00 0.00 39.48 39.08 1tbc n PHE 38 CO 0.00 0.00 0.00 -0.84 -1.87 0.00 0.00 176.76 174.05 1tbc h ILE 39 N 0.00 0.63 -3.93 1.97 3.07 -1.84 -2.75 117.51 114.66 1tbc h ILE 39 Ca 0.00 0.00 -0.45 0.00 1.55 0.00 0.00 64.86 65.96 1tbc h ILE 39 Cb 0.00 0.81 -0.21 0.00 -0.27 0.00 0.00 36.82 37.15 1tbc h ILE 39 CO 0.00 0.00 -0.79 -0.89 -1.05 0.00 0.00 178.15 175.42 1tbc s THR 40 N -4.83 1.29 0.90 0.16 2.01 -1.26 -3.31 115.64 110.59 1tbc s THR 40 Ca -0.05 -1.38 -0.12 0.00 0.31 0.00 0.00 61.69 60.45 1tbc s THR 40 Cb 0.17 -1.22 0.13 0.00 0.01 0.00 0.00 72.50 71.59 1tbc s THR 40 CO 0.63 -0.18 1.11 -0.54 -0.69 0.00 0.00 174.62 174.94 1tbc s LYS 41 N -1.81 1.27 0.00 4.92 -0.14 -1.26 -3.76 119.74 118.96 1tbc s LYS 41 Ca 0.01 0.54 0.00 0.00 -1.36 0.00 0.00 55.97 55.15 1tbc s LYS 41 Cb -0.10 -1.83 0.00 0.00 -1.68 0.00 0.00 37.83 34.22 1tbc s LYS 41 CO 0.03 -2.16 0.00 0.41 -0.76 0.00 0.00 175.35 172.87 1tbc n GLY 42 N -1.73 3.24 2.68 -3.33 0.00 -1.26 -4.46 105.19 100.32 1tbc n GLY 42 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 1tbc n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1tbc n LEU 43 N 0.00 -3.14 0.00 0.99 4.32 -1.25 -2.72 117.00 115.20 1tbc n LEU 43 Ca 0.00 -0.38 0.00 0.00 -0.02 0.00 0.00 56.01 55.61 1tbc n LEU 43 Cb 0.00 -2.16 0.00 0.00 -1.62 0.00 0.00 43.42 39.64 1tbc n LEU 43 CO 0.00 0.32 0.00 0.61 -1.22 0.00 0.00 177.39 177.10 1tbc n GLY 44 N -1.25 0.34 0.41 -0.72 0.00 -1.26 -4.62 105.19 98.09 1tbc n GLY 44 Ca -0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 1tbc n GLY 44 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1tbc h ILE 45 N 0.00 0.18 0.00 -0.61 -0.00 -1.73 -3.44 117.51 111.91 1tbc h ILE 45 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.85 1tbc h ILE 45 Cb 0.35 0.18 -0.01 0.00 -0.00 0.00 0.00 36.82 37.34 1tbc h ILE 45 CO 0.00 0.00 -0.02 -0.24 -0.00 0.00 0.00 178.15 177.89 1tbc n SER 46 N -5.48 -0.10 0.19 2.16 2.88 -1.26 -5.00 113.62 107.01 1tbc n SER 46 Ca -0.09 -0.54 0.09 0.00 -1.33 0.00 0.00 58.87 56.99 1tbc n SER 46 Cb 0.39 0.04 0.15 0.00 -0.75 0.00 0.00 64.21 64.04 1tbc n SER 46 CO 0.00 0.00 0.00 0.10 -1.23 0.00 0.00 175.04 173.91 1tbc h TYR 47 N 0.03 0.00 0.00 0.66 -0.00 -1.87 -3.47 116.97 112.33 1tbc h TYR 47 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.69 1tbc h TYR 47 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.49 1tbc h TYR 47 CO -0.10 0.19 0.00 0.41 -0.00 0.00 0.00 178.16 178.66 1tbc n GLY 48 N 1.05 0.40 3.76 0.10 0.00 -1.26 -5.13 105.19 104.11 1tbc n GLY 48 Ca 0.03 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 1tbc n GLY 48 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tbc s ARG 49 N 0.00 2.04 0.00 1.61 0.52 -1.26 -4.99 118.95 116.87 1tbc s ARG 49 Ca 0.00 1.13 0.00 0.00 -0.52 0.00 0.00 55.73 56.34 1tbc s ARG 49 Cb 0.00 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.59 1tbc s ARG 49 CO 0.00 -1.78 0.32 0.36 0.02 0.00 0.00 175.30 174.22 1tbc n LYS 50 N -3.61 0.11 0.00 3.54 0.00 -1.26 -5.03 118.16 111.91 1tbc n LYS 50 Ca 0.09 -0.32 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 1tbc n LYS 50 Cb 0.53 -0.80 0.00 0.00 -0.00 0.00 0.00 35.03 34.76 1tbc n LYS 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1tbc n LYS 51 N -0.11 0.00 -0.10 -1.58 4.76 -1.26 -4.46 118.16 115.41 1tbc n LYS 51 Ca 0.00 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.46 1tbc n LYS 51 Cb 0.05 -0.04 0.08 0.00 -1.84 0.00 0.00 35.03 33.28 1tbc n LYS 51 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1tbc n ARG 52 N 0.00 1.46 0.30 1.97 5.12 -1.26 -4.04 116.66 120.21 1tbc n ARG 52 Ca 0.00 -0.61 0.20 0.00 -1.93 0.00 0.00 57.85 55.51 1tbc n ARG 52 Cb 0.00 -1.22 1.06 0.00 -1.16 0.00 0.00 32.46 31.14 1tbc n ARG 52 CO 0.00 0.00 0.00 0.07 -1.93 0.00 0.00 177.63 175.77 1tbc h ARG 53 N 0.95 0.00 0.08 5.56 0.11 -2.00 -1.96 114.38 117.12 1tbc h ARG 53 Ca 0.00 0.00 -0.27 0.00 0.10 0.00 0.00 59.98 59.81 1tbc h ARG 53 Cb 0.32 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.41 1tbc h ARG 53 CO 0.02 0.00 -1.13 1.96 0.10 0.00 0.00 179.97 180.92 1tbc h GLN 54 N 0.00 0.46 -2.64 0.08 4.20 -1.98 -3.44 115.11 111.79 1tbc h GLN 54 Ca 0.00 -0.60 -0.34 0.00 0.06 0.00 0.00 58.65 57.78 1tbc h GLN 54 Cb 0.02 0.19 -0.06 0.00 0.30 0.00 0.00 27.48 27.94 1tbc h GLN 54 CO 0.00 1.24 -0.39 0.54 -0.67 0.00 0.00 178.83 179.55 1tbc n ARG 55 N -3.71 -1.74 -2.42 1.46 1.74 -0.74 -4.75 116.66 106.49 1tbc n ARG 55 Ca -0.10 0.88 -0.02 0.00 -0.77 0.00 0.00 57.85 57.83 1tbc n ARG 55 Cb 0.94 -5.40 0.10 0.00 -1.02 0.00 0.00 32.46 27.08 1tbc n ARG 55 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1tbc n ARG 56 N -2.63 1.15 -0.14 5.56 1.85 -1.26 -5.00 116.66 116.18 1tbc n ARG 56 Ca -0.19 -1.10 -0.03 0.00 -1.00 0.00 0.00 57.85 55.52 1tbc n ARG 56 Cb 0.62 0.41 0.05 0.00 -1.05 0.00 0.00 32.46 32.48 1tbc n ARG 56 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 1tbc h ARG 57 N 0.84 0.16 -0.34 2.89 9.65 -1.91 -0.34 114.38 125.33 1tbc h ARG 57 Ca -0.43 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1tbc h ARG 57 Cb 1.28 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 1tbc h ARG 57 CO -0.19 0.11 0.00 -0.35 2.80 0.00 0.00 179.97 182.34 1tbc n PRO 58 N -5.15 1.40 -5.03 0.20 -0.04 -1.26 -4.61 135.00 120.50 1tbc n PRO 58 Ca 0.04 -0.49 -0.32 0.00 -0.04 0.00 0.00 63.50 62.69 1tbc n PRO 58 Cb 0.22 -1.24 -0.17 0.00 -0.04 0.00 0.00 33.50 32.27 1tbc n PRO 58 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1tbc s SER 59 N -0.77 3.11 0.00 3.54 0.01 -0.14 -5.02 113.70 114.43 1tbc s SER 59 Ca 0.09 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.78 1tbc s SER 59 Cb 0.05 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.86 1tbc s SER 59 CO 0.05 0.13 0.00 0.00 0.41 0.00 0.00 173.24 173.83 1tbc n GLN 60 N 3.70 0.00 -0.85 12.44 6.02 -1.26 -4.94 117.38 132.48 1tbc n GLN 60 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.80 1tbc n GLN 60 Cb 0.53 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.79 1tbc n GLN 60 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1tbc n GLY 61 N 1.93 0.65 2.43 1.08 0.00 -1.26 -3.91 105.19 106.11 1tbc n GLY 61 Ca 0.00 -0.37 -0.20 0.00 0.00 0.00 0.00 46.02 45.45 1tbc n GLY 61 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tbc n GLY 62 N -0.57 -0.09 0.11 -0.02 0.00 -1.26 -4.85 105.19 98.51 1tbc n GLY 62 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 1tbc n GLY 62 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1tbc h GLN 63 N 0.00 0.23 -4.76 1.61 5.75 -1.90 -3.43 115.11 112.61 1tbc h GLN 63 Ca -0.47 -0.32 -0.14 0.00 -0.15 0.00 0.00 58.65 57.57 1tbc h GLN 63 Cb 1.35 0.11 0.11 0.00 1.07 0.00 0.00 27.48 30.12 1tbc h GLN 63 CO 0.57 1.09 -0.49 2.41 -2.65 0.00 0.00 178.83 179.76 1tbc n THR 64 N -3.58 -7.11 -0.74 2.39 -1.04 -1.26 -1.86 114.28 101.08 1tbc n THR 64 Ca -0.05 -0.81 -0.14 0.00 -2.04 0.00 0.00 64.05 61.00 1tbc n THR 64 Cb 0.91 -5.66 0.12 0.00 -1.82 0.00 0.00 70.33 63.88 1tbc n THR 64 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1tbc n HIS 65 N -2.50 -3.40 0.07 -1.42 8.25 -1.25 -1.45 115.22 113.53 1tbc n HIS 65 Ca -0.04 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 1tbc n HIS 65 Cb 0.57 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1tbc n HIS 65 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1tbc n GLN 66 N -3.09 0.00 0.10 -0.41 0.00 -1.26 -4.78 117.38 107.94 1tbc n GLN 66 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 57.00 56.85 1tbc n GLN 66 Cb 0.27 -0.14 -0.15 0.00 0.00 0.00 0.00 30.24 30.22 1tbc n GLN 66 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.06 177.28 1tbc h ASP 67 N 0.00 0.63 0.78 2.61 3.58 -1.96 -2.94 116.42 119.13 1tbc h ASP 67 Ca 0.00 -0.81 -0.16 0.00 0.42 0.00 0.00 57.03 56.48 1tbc h ASP 67 Cb 0.11 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 1tbc h ASP 67 CO 0.00 1.66 -0.76 1.55 -2.88 0.00 0.00 179.24 178.81 1tbc h PRO 68 N 0.11 0.00 -0.76 0.28 0.13 -1.91 -3.37 132.00 126.49 1tbc h PRO 68 Ca -0.28 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.49 1tbc h PRO 68 Cb 2.10 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 32.82 1tbc h PRO 68 CO 0.21 0.76 -1.06 0.44 -0.23 0.00 0.00 178.00 178.12 1tbc n ILE 69 N -3.62 1.49 0.29 -3.56 -0.00 -1.26 -4.83 119.36 107.87 1tbc n ILE 69 Ca -0.01 -3.36 0.10 0.00 -0.00 0.00 0.00 62.75 59.49 1tbc n ILE 69 Cb 0.74 0.49 0.47 0.00 -0.00 0.00 0.00 39.64 41.35 1tbc n ILE 69 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1tbc n PRO 70 N -0.44 0.14 -0.17 6.28 -0.04 -1.11 -2.45 135.00 137.21 1tbc n PRO 70 Ca 0.16 0.49 -0.08 0.00 -0.04 0.00 0.00 63.50 64.04 1tbc n PRO 70 Cb 0.82 -1.84 0.07 0.00 -0.04 0.00 0.00 33.50 32.50 1tbc n PRO 70 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1tbc h LYS 71 N 0.00 0.97 -2.82 0.54 2.10 -1.88 -3.47 116.57 112.01 1tbc h LYS 71 Ca 0.00 -0.31 0.05 0.00 -2.00 0.00 0.00 60.65 58.39 1tbc h LYS 71 Cb 0.20 -0.09 -0.10 0.00 -0.90 0.00 0.00 32.23 31.35 1tbc h LYS 71 CO 0.00 0.98 0.29 1.14 -2.00 0.00 0.00 179.45 179.86 1tbc s GLN 72 N -4.94 1.37 0.04 0.07 1.03 -1.03 -5.05 119.66 111.15 1tbc s GLN 72 Ca -0.11 -0.64 -0.24 0.00 0.04 0.00 0.00 55.36 54.41 1tbc s GLN 72 Cb 0.14 0.54 -0.18 0.00 0.03 0.00 0.00 33.01 33.55 1tbc s GLN 72 CO 0.85 -0.62 1.51 -1.00 -2.54 0.00 0.00 175.29 173.49 1tbc h PRO 73 N 2.00 0.00 -6.64 9.60 0.13 -1.91 -3.46 132.00 131.73 1tbc h PRO 73 Ca -0.26 -0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.34 1tbc h PRO 73 Cb 1.27 -0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 1tbc h PRO 73 CO 0.31 0.23 -0.86 0.45 -0.23 0.00 0.00 178.00 177.90 1tbc n SER 74 N -4.98 -1.80 0.00 1.44 2.88 -1.26 -4.22 113.62 105.68 1tbc n SER 74 Ca -0.08 -1.01 0.00 0.00 -1.33 0.00 0.00 58.87 56.45 1tbc n SER 74 Cb 0.13 -2.87 0.00 0.00 -0.75 0.00 0.00 64.21 60.72 1tbc n SER 74 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1tbc n SER 75 N -2.82 0.00 -0.05 -3.46 7.64 -1.26 -4.80 113.62 108.87 1tbc n SER 75 Ca -0.12 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.62 1tbc n SER 75 Cb 0.59 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.67 1tbc n SER 75 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1tbc h GLN 76 N 0.00 0.04 0.00 1.43 7.50 -1.80 0.15 115.11 122.43 1tbc h GLN 76 Ca 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1tbc h GLN 76 Cb 0.00 0.01 0.00 0.00 0.05 0.00 0.00 27.48 27.54 1tbc h GLN 76 CO 0.00 0.85 0.00 -0.35 -1.50 0.00 0.00 178.83 177.83 1tbc n PRO 77 N -4.65 0.08 -2.34 1.46 -0.04 -1.12 -3.63 135.00 124.76 1tbc n PRO 77 Ca -0.10 0.25 0.01 0.00 -0.04 0.00 0.00 63.50 63.62 1tbc n PRO 77 Cb 0.43 -1.63 0.04 0.00 -0.04 0.00 0.00 33.50 32.30 1tbc n PRO 77 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1tbc n ARG 78 N -1.78 1.09 0.00 0.54 1.85 -1.23 -4.82 116.66 112.31 1tbc n ARG 78 Ca 0.04 -2.78 0.00 0.00 -1.00 0.00 0.00 57.85 54.11 1tbc n ARG 78 Cb 0.25 -0.88 0.00 0.00 -1.05 0.00 0.00 32.46 30.77 1tbc n ARG 78 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1tbc n GLY 79 N -0.30 1.05 3.74 2.89 0.00 0.50 -4.81 105.19 108.25 1tbc n GLY 79 Ca 0.04 0.36 -0.41 0.00 0.00 0.00 0.00 46.02 46.01 1tbc n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1tbc s ASP 80 N 2.00 7.30 -1.02 1.61 2.15 -1.02 -4.93 116.67 122.77 1tbc s ASP 80 Ca 0.00 2.07 -0.24 0.00 0.43 0.00 0.00 52.55 54.81 1tbc s ASP 80 Cb 0.00 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.97 1tbc s ASP 80 CO 0.00 -0.19 1.89 -2.16 -0.17 0.00 0.00 175.17 174.54 1tbc s PRO 81 N -0.44 2.71 -0.00 4.34 0.04 -1.26 -4.52 135.00 135.86 1tbc s PRO 81 Ca 0.48 -0.71 -0.24 0.00 0.04 0.00 0.00 61.00 60.57 1tbc s PRO 81 Cb -0.29 -5.17 -0.17 0.00 0.04 0.00 0.00 34.50 28.92 1tbc s PRO 81 CO 0.35 -3.39 1.18 1.79 0.04 0.00 0.00 177.00 176.96 1tbc h THR 82 N 6.82 0.77 0.00 1.26 1.35 -1.79 -3.49 112.91 117.82 1tbc h THR 82 Ca 0.16 -0.72 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1tbc h THR 82 Cb 0.98 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1tbc h THR 82 CO 1.25 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 177.27 1tbc n GLY 83 N -0.12 -1.79 1.33 5.82 0.00 -1.24 -4.54 105.19 104.66 1tbc n GLY 83 Ca -0.09 0.77 0.12 0.00 0.00 0.00 0.00 46.02 46.82 1tbc n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1tbc n PRO 84 N 0.00 2.69 -0.05 1.61 -0.04 -1.25 -4.30 135.00 133.65 1tbc n PRO 84 Ca 0.00 -2.61 0.11 0.00 -0.04 0.00 0.00 63.50 60.96 1tbc n PRO 84 Cb 0.00 -1.57 0.45 0.00 -0.04 0.00 0.00 33.50 32.34 1tbc n PRO 84 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1tbc n LYS 85 N 1.65 1.57 0.00 0.54 4.76 -1.26 -5.09 118.16 120.34 1tbc n LYS 85 Ca 0.24 -0.86 0.13 0.00 -2.87 0.00 0.00 58.31 54.95 1tbc n LYS 85 Cb 0.63 -1.40 0.76 0.00 -1.84 0.00 0.00 35.03 33.18 1tbc n LYS 85 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42