#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhn s ARG 7 N 0.00 3.14 0.85 -0.78 1.04 -1.26 -5.07 118.95 116.87 3hhn s ARG 7 Ca 0.00 -0.65 -0.15 0.00 -1.04 0.00 0.00 55.73 53.88 3hhn s ARG 7 Cb 0.00 -2.83 -0.06 0.00 -2.04 0.00 0.00 34.95 30.02 3hhn s ARG 7 CO 0.00 0.55 0.06 -2.30 -0.04 0.00 0.00 175.30 173.57 3hhn n PRO 8 N 0.02 -0.00 -3.63 3.89 -0.02 -1.26 -4.92 135.00 129.08 3hhn n PRO 8 Ca -0.07 0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.32 3hhn n PRO 8 Cb 0.53 -1.53 -0.07 0.00 -0.02 0.00 0.00 33.50 32.41 3hhn n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hhn s ASN 9 N -1.47 -0.74 0.43 2.55 2.47 -1.26 -5.03 114.94 111.89 3hhn s ASN 9 Ca 0.55 1.35 0.24 0.00 0.42 0.00 0.00 52.86 55.42 3hhn s ASN 9 Cb -0.27 1.35 1.26 0.00 -1.45 0.00 0.00 41.25 42.14 3hhn s ASN 9 CO 0.69 -0.23 1.72 0.45 -3.72 0.00 0.00 177.10 176.01 3hhn h HIS 10 N 5.35 0.55 -3.29 0.43 3.86 -1.86 -3.39 115.15 116.80 3hhn h HIS 10 Ca -0.29 0.02 -0.62 0.00 -1.16 0.00 0.00 60.37 58.32 3hhn h HIS 10 Cb 1.18 -0.15 -0.17 0.00 1.06 0.00 0.00 27.41 29.32 3hhn h HIS 10 CO 0.29 -0.04 -0.59 0.99 0.86 0.00 0.00 177.93 179.44 3hhn s THR 11 N -5.37 4.53 -0.06 2.45 2.01 -1.26 -1.92 115.64 116.02 3hhn s THR 11 Ca -0.08 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 3hhn s THR 11 Cb 0.27 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 3hhn s THR 11 CO 0.81 0.47 0.08 0.27 -0.69 0.00 0.00 174.62 175.56 3hhn s ILE 12 N 0.35 4.90 -0.22 1.82 -4.36 -0.39 -1.61 121.20 121.68 3hhn s ILE 12 Ca 0.01 -0.17 -0.10 0.00 -0.26 0.00 0.00 60.65 60.14 3hhn s ILE 12 Cb -0.13 -3.16 -0.05 0.00 1.25 0.00 0.00 42.46 40.37 3hhn s ILE 12 CO 0.01 0.50 0.13 -0.47 0.24 0.00 0.00 174.94 175.34 3hhn s TYR 13 N -1.07 3.30 -0.04 1.37 6.14 0.15 -2.03 117.35 125.16 3hhn s TYR 13 Ca 0.18 0.16 0.06 0.00 0.64 0.00 0.00 57.07 58.12 3hhn s TYR 13 Cb -0.12 -2.22 -0.01 0.00 0.42 0.00 0.00 41.96 40.03 3hhn s TYR 13 CO 0.08 0.08 -0.24 0.42 0.64 0.00 0.00 175.55 176.53 3hhn s ILE 14 N 0.89 1.95 0.00 3.14 1.01 -0.18 -0.54 121.20 127.47 3hhn s ILE 14 Ca 0.07 -1.02 0.00 0.00 0.00 0.00 0.00 60.65 59.69 3hhn s ILE 14 Cb -0.13 -1.64 0.00 0.00 0.01 0.00 0.00 42.46 40.70 3hhn s ILE 14 CO 0.03 0.55 0.00 -0.46 0.00 0.00 0.00 174.94 175.05 3hhn n ASN 15 N 2.79 0.03 -2.18 3.58 6.94 -1.18 -0.56 115.26 124.67 3hhn n ASN 15 Ca -0.17 -0.90 -0.18 0.00 -0.02 0.00 0.00 54.58 53.31 3hhn n ASN 15 Cb 0.52 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.94 3hhn n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3hhn n ASN 16 N -2.68 -5.33 -4.83 0.53 4.05 -0.93 -3.14 115.26 102.92 3hhn n ASN 16 Ca 0.00 -0.06 -0.35 0.00 0.45 0.00 0.00 54.58 54.62 3hhn n ASN 16 Cb 0.00 -4.36 -0.06 0.00 1.23 0.00 0.00 39.78 36.59 3hhn n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3hhn s LEU 17 N -5.34 4.24 -0.49 1.20 1.43 -0.85 -4.65 118.68 114.22 3hhn s LEU 17 Ca 0.05 1.32 -0.27 0.00 -1.03 0.00 0.00 54.13 54.20 3hhn s LEU 17 Cb -0.02 -3.71 -0.08 0.00 0.03 0.00 0.00 46.19 42.41 3hhn s LEU 17 CO 0.06 -0.04 2.41 -3.20 0.23 0.00 0.00 176.35 175.81 3hhn n ASN 18 N 0.35 2.28 0.19 2.29 2.85 -1.26 -4.45 115.26 117.51 3hhn n ASN 18 Ca -0.01 -0.37 0.14 0.00 -0.11 0.00 0.00 54.58 54.23 3hhn n ASN 18 Cb 0.52 -1.53 0.66 0.00 1.24 0.00 0.00 39.78 40.67 3hhn n ASN 18 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3hhn h GLU 19 N 18.54 0.00 0.00 1.20 5.08 -1.94 -2.11 114.58 135.35 3hhn h GLU 19 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3hhn h GLU 19 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3hhn h GLU 19 CO 1.15 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 180.33 3hhn n LYS 20 N -2.46 0.38 -2.92 2.33 3.00 -1.26 -4.82 118.16 112.42 3hhn n LYS 20 Ca -0.00 0.02 -0.40 0.00 -0.00 0.00 0.00 58.31 57.92 3hhn n LYS 20 Cb 0.12 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.61 3hhn n LYS 20 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3hhn s ILE 21 N -2.59 4.74 0.59 3.15 -1.09 -0.79 -5.03 121.20 120.18 3hhn s ILE 21 Ca 0.26 1.73 -0.20 0.00 -2.23 0.00 0.00 60.65 60.21 3hhn s ILE 21 Cb 0.19 -4.16 -0.03 0.00 -1.58 0.00 0.00 42.46 36.87 3hhn s ILE 21 CO 0.43 0.32 1.30 -0.54 -1.23 0.00 0.00 174.94 175.23 3hhn s LYS 22 N 0.14 2.91 0.20 2.79 -0.14 -1.26 -4.82 119.74 119.57 3hhn s LYS 22 Ca 0.41 2.08 -0.11 0.00 -1.36 0.00 0.00 55.97 56.99 3hhn s LYS 22 Cb -0.21 -2.05 0.22 0.00 -1.68 0.00 0.00 37.83 34.11 3hhn s LYS 22 CO 0.24 -1.32 1.77 1.57 -0.76 0.00 0.00 175.35 176.85 3hhn h LYS 23 N 1.04 0.48 0.57 1.68 2.10 -1.96 -1.54 116.57 118.93 3hhn h LYS 23 Ca -0.51 -0.03 -0.02 0.00 -2.00 0.00 0.00 60.65 58.09 3hhn h LYS 23 Cb 1.31 -0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 3hhn h LYS 23 CO 0.55 0.31 -0.45 -0.44 -2.00 0.00 0.00 179.45 177.43 3hhn h ASP 24 N 0.49 -1.19 -0.08 7.07 3.45 -1.98 -1.80 116.42 122.38 3hhn h ASP 24 Ca 0.28 0.08 0.04 0.00 0.43 0.00 0.00 57.03 57.86 3hhn h ASP 24 Cb 0.26 0.37 -0.04 0.00 -0.56 0.00 0.00 39.33 39.36 3hhn h ASP 24 CO -0.23 -0.65 -0.17 -0.33 -1.57 0.00 0.00 179.24 176.29 3hhn h GLU 25 N -1.00 -0.23 -0.86 3.56 4.39 -1.89 -1.75 114.58 116.79 3hhn h GLU 25 Ca -0.07 0.02 0.18 0.00 0.34 0.00 0.00 59.36 59.82 3hhn h GLU 25 Cb 0.84 0.05 -0.11 0.00 -0.10 0.00 0.00 28.75 29.44 3hhn h GLU 25 CO 0.01 -0.15 0.42 1.25 -1.16 0.00 0.00 179.01 179.37 3hhn h LEU 26 N -0.24 0.44 0.54 1.33 5.85 -1.23 0.32 115.31 122.32 3hhn h LEU 26 Ca 0.08 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3hhn h LEU 26 Cb 0.35 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 3hhn h LEU 26 CO -0.22 0.13 -0.46 0.11 -0.34 0.00 0.00 178.44 177.66 3hhn h LYS 27 N 0.53 -0.95 -0.33 1.25 1.79 -0.43 -1.22 116.57 117.21 3hhn h LYS 27 Ca 0.50 0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.91 3hhn h LYS 27 Cb 0.81 0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.67 3hhn h LYS 27 CO -0.43 -0.63 -0.30 1.57 -1.08 0.00 0.00 179.45 178.58 3hhn h LYS 28 N -0.99 0.70 -0.54 3.15 2.10 -1.08 -2.23 116.57 117.68 3hhn h LYS 28 Ca -0.06 -0.31 -0.02 0.00 -2.00 0.00 0.00 60.65 58.25 3hhn h LYS 28 Cb 0.84 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.13 3hhn h LYS 28 CO -0.02 0.91 0.25 0.77 -2.00 0.00 0.00 179.45 179.37 3hhn h SER 29 N 0.60 0.71 -0.19 7.07 0.02 -0.92 -0.30 113.55 120.53 3hhn h SER 29 Ca 0.07 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3hhn h SER 29 Cb 0.81 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 3hhn h SER 29 CO 0.07 0.65 0.08 -0.07 -1.14 0.00 0.00 176.83 176.41 3hhn h LEU 30 N 0.73 0.27 -1.65 5.07 3.38 -1.09 -2.60 115.31 119.42 3hhn h LEU 30 Ca 0.18 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hhn h LEU 30 Cb 0.13 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 3hhn h LEU 30 CO -0.02 0.36 0.17 -0.74 0.09 0.00 0.00 178.44 178.30 3hhn h HIS 31 N 0.16 0.39 -0.53 1.13 2.76 -1.23 -2.07 115.15 115.76 3hhn h HIS 31 Ca 0.06 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 3hhn h HIS 31 Cb 0.18 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 3hhn h HIS 31 CO -0.01 0.27 0.00 0.00 -1.30 0.00 0.00 177.93 176.89 3hhn h ALA 32 N 1.78 1.00 0.00 5.26 0.00 -0.68 -1.52 119.26 125.10 3hhn h ALA 32 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hhn h ALA 32 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hhn h ALA 32 CO -0.02 0.61 -0.97 0.44 0.00 0.00 0.00 179.25 179.31 3hhn n ILE 33 N -4.20 0.29 0.23 0.00 -5.35 -0.99 -4.17 119.36 105.17 3hhn n ILE 33 Ca 0.03 -0.32 0.09 0.00 -0.27 0.00 0.00 62.75 62.28 3hhn n ILE 33 Cb 0.32 0.01 -0.14 0.00 -1.74 0.00 0.00 39.64 38.09 3hhn n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3hhn n PHE 34 N -2.15 0.00 -0.09 4.28 3.72 -0.82 -4.44 117.46 117.97 3hhn n PHE 34 Ca 0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 3hhn n PHE 34 Cb 0.47 -0.32 0.52 0.00 -0.94 0.00 0.00 39.48 39.20 3hhn n PHE 34 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3hhn h SER 35 N 0.00 0.34 0.07 4.37 0.02 -1.44 -0.99 113.55 115.93 3hhn h SER 35 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3hhn h SER 35 Cb 0.75 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3hhn h SER 35 CO 0.00 0.20 0.00 -2.11 -1.14 0.00 0.00 176.83 173.78 3hhn n ARG 36 N -4.46 0.23 0.00 3.45 1.85 -1.26 -1.70 116.66 114.76 3hhn n ARG 36 Ca 0.11 0.08 0.08 0.00 -1.00 0.00 0.00 57.85 57.13 3hhn n ARG 36 Cb 0.42 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.27 3hhn n ARG 36 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3hhn n PHE 37 N -1.12 0.00 0.00 2.89 3.72 -0.37 -5.09 117.46 117.49 3hhn n PHE 37 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3hhn n PHE 37 Cb 0.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3hhn n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hhn n GLY 38 N 1.35 0.98 3.77 1.37 0.00 -0.69 -4.55 105.19 107.43 3hhn n GLY 38 Ca 0.05 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 3hhn n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hhn s GLN 39 N -1.97 3.93 -0.26 1.61 -1.52 -1.26 -4.66 119.66 115.53 3hhn s GLN 39 Ca 0.00 1.93 0.00 0.00 -1.95 0.00 0.00 55.36 55.34 3hhn s GLN 39 Cb 0.00 -2.62 0.07 0.00 -0.22 0.00 0.00 33.01 30.24 3hhn s GLN 39 CO 0.00 -0.45 0.00 0.42 -0.25 0.00 0.00 175.29 175.01 3hhn s ILE 40 N -1.39 1.37 0.05 1.08 1.01 -1.26 -2.46 121.20 119.59 3hhn s ILE 40 Ca 0.59 -1.33 -0.25 0.00 0.00 0.00 0.00 60.65 59.66 3hhn s ILE 40 Cb -0.33 -1.79 -0.17 0.00 0.01 0.00 0.00 42.46 40.18 3hhn s ILE 40 CO 0.41 -0.30 1.55 -0.07 0.00 0.00 0.00 174.94 176.53 3hhn h LEU 41 N 7.97 -0.09 -7.78 2.97 3.38 -1.35 -3.48 115.31 116.94 3hhn h LEU 41 Ca -0.15 -0.15 0.14 0.00 0.09 0.00 0.00 57.88 57.81 3hhn h LEU 41 Cb 1.06 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 3hhn h LEU 41 CO 0.43 0.09 0.39 -0.62 0.09 0.00 0.00 178.44 178.83 3hhn s ASP 42 N -5.26 -0.21 -0.25 -0.43 2.15 -1.23 -5.05 116.67 106.40 3hhn s ASP 42 Ca -0.14 -0.47 -0.03 0.00 0.43 0.00 0.00 52.55 52.34 3hhn s ASP 42 Cb 0.04 0.57 0.11 0.00 -0.30 0.00 0.00 42.92 43.35 3hhn s ASP 42 CO 0.65 -1.06 0.24 -0.51 -0.17 0.00 0.00 175.17 174.32 3hhn s ILE 43 N -3.51 -0.34 0.02 4.11 2.07 -1.26 -0.49 121.20 121.80 3hhn s ILE 43 Ca 0.12 -0.32 -0.26 0.00 -1.41 0.00 0.00 60.65 58.77 3hhn s ILE 43 Cb -0.03 -0.83 -0.05 0.00 0.13 0.00 0.00 42.46 41.69 3hhn s ILE 43 CO 0.04 -0.36 0.82 -0.76 -1.91 0.00 0.00 174.94 172.78 3hhn s LEU 44 N 2.32 4.41 -0.10 8.50 2.01 0.11 -4.88 118.68 131.06 3hhn s LEU 44 Ca 0.08 1.48 -0.04 0.00 0.01 0.00 0.00 54.13 55.67 3hhn s LEU 44 Cb -0.15 -3.32 0.05 0.00 0.01 0.00 0.00 46.19 42.78 3hhn s LEU 44 CO -0.22 -0.08 0.19 -0.69 1.01 0.00 0.00 176.35 176.55 3hhn s VAL 45 N 0.38 -0.27 0.11 -1.59 1.01 -1.26 -0.76 120.40 118.02 3hhn s VAL 45 Ca 0.42 0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.81 3hhn s VAL 45 Cb -0.20 -0.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 3hhn s VAL 45 CO 0.24 0.13 -0.24 -0.55 0.00 0.00 0.00 175.10 174.68 3hhn s SER 46 N 2.19 2.97 -0.31 3.32 0.15 -1.26 -5.03 113.70 115.73 3hhn s SER 46 Ca 0.01 -0.71 0.08 0.00 0.70 0.00 0.00 55.95 56.03 3hhn s SER 46 Cb -0.12 -0.19 0.53 0.00 -1.71 0.00 0.00 66.02 64.53 3hhn s SER 46 CO -0.07 0.13 1.52 0.54 1.20 0.00 0.00 173.24 176.57 3hhn n ARG 47 N 1.03 1.92 -0.24 5.44 1.74 -1.26 -3.09 116.66 122.20 3hhn n ARG 47 Ca -0.19 -3.16 -0.29 0.00 -0.77 0.00 0.00 57.85 53.44 3hhn n ARG 47 Cb 0.53 -1.86 0.28 0.00 -1.02 0.00 0.00 32.46 30.39 3hhn n ARG 47 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hhn n SER 48 N -1.11 -4.11 0.23 0.55 7.64 -1.26 -4.65 113.62 110.91 3hhn n SER 48 Ca 0.36 -0.83 0.12 0.00 1.01 0.00 0.00 58.87 59.52 3hhn n SER 48 Cb 1.11 -0.97 0.46 0.00 -1.01 0.00 0.00 64.21 63.80 3hhn n SER 48 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3hhn h LEU 49 N 0.00 0.00 0.00 -3.43 5.85 -1.98 -3.05 115.31 112.70 3hhn h LEU 49 Ca -0.37 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.31 3hhn h LEU 49 Cb 1.27 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3hhn h LEU 49 CO 0.22 0.16 -1.77 1.17 -0.34 0.00 0.00 178.44 177.89 3hhn n LYS 50 N -3.27 0.62 0.00 1.25 4.81 -1.26 -4.60 118.16 115.71 3hhn n LYS 50 Ca 0.01 -0.13 0.04 0.00 -0.87 0.00 0.00 58.31 57.36 3hhn n LYS 50 Cb 0.43 -1.38 0.02 0.00 0.02 0.00 0.00 35.03 34.12 3hhn n LYS 50 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3hhn n MET 51 N -2.12 1.04 -1.21 1.64 2.81 -1.24 -5.02 117.12 113.02 3hhn n MET 51 Ca -0.05 -0.80 -0.30 0.00 -1.81 0.00 0.00 57.70 54.73 3hhn n MET 51 Cb 0.49 -1.10 0.12 0.00 -0.71 0.00 0.00 33.22 32.02 3hhn n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3hhn s ARG 52 N -0.90 1.65 -0.80 0.03 1.70 -1.15 -3.06 118.95 116.41 3hhn s ARG 52 Ca 0.08 0.99 0.00 0.00 -0.47 0.00 0.00 55.73 56.33 3hhn s ARG 52 Cb 0.07 -1.84 0.00 0.00 -0.57 0.00 0.00 34.95 32.61 3hhn s ARG 52 CO 0.14 -2.02 0.00 0.41 -1.08 0.00 0.00 175.30 172.76 3hhn n GLY 53 N -1.11 0.78 3.21 3.88 0.00 -1.26 -4.95 105.19 105.74 3hhn n GLY 53 Ca 0.08 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3hhn n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hhn s GLN 54 N -2.48 0.95 -0.20 1.61 -0.21 -1.17 -2.01 119.66 116.15 3hhn s GLN 54 Ca 0.00 -1.40 -0.27 0.00 0.02 0.00 0.00 55.36 53.71 3hhn s GLN 54 Cb 0.00 -0.38 0.07 0.00 1.00 0.00 0.00 33.01 33.70 3hhn s GLN 54 CO 0.00 0.01 0.71 0.00 -2.12 0.00 0.00 175.29 173.88 3hhn s ALA 55 N -3.51 -1.77 -0.21 6.09 0.00 0.27 -4.48 121.76 118.16 3hhn s ALA 55 Ca 0.15 1.80 -0.03 0.00 0.00 0.00 0.00 51.96 53.89 3hhn s ALA 55 Cb 0.04 -0.81 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 3hhn s ALA 55 CO -0.02 -0.35 -0.08 -0.06 0.00 0.00 0.00 175.76 175.25 3hhn s PHE 56 N -0.10 2.91 -0.19 0.00 0.40 0.06 -1.01 117.98 120.05 3hhn s PHE 56 Ca -0.03 -1.07 -0.05 0.00 -0.60 0.00 0.00 56.93 55.17 3hhn s PHE 56 Cb -0.03 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 3hhn s PHE 56 CO 0.04 -0.59 -0.00 0.08 0.70 0.00 0.00 175.22 175.45 3hhn s VAL 57 N 1.39 4.02 -0.28 -0.44 1.01 -0.86 0.09 120.40 125.34 3hhn s VAL 57 Ca 0.05 -0.30 -0.06 0.00 0.00 0.00 0.00 61.98 61.67 3hhn s VAL 57 Cb -0.14 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3hhn s VAL 57 CO -0.05 0.44 0.05 -0.63 0.00 0.00 0.00 175.10 174.92 3hhn s ILE 58 N 0.82 3.89 0.23 2.22 1.01 0.36 -1.26 121.20 128.47 3hhn s ILE 58 Ca 0.01 -0.60 0.01 0.00 0.00 0.00 0.00 60.65 60.07 3hhn s ILE 58 Cb -0.14 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3hhn s ILE 58 CO 0.02 0.17 0.40 -0.36 0.00 0.00 0.00 174.94 175.17 3hhn s PHE 59 N 1.51 3.48 -0.24 3.97 0.08 -0.81 -0.98 117.98 124.99 3hhn s PHE 59 Ca 0.03 0.23 0.17 0.00 0.12 0.00 0.00 56.93 57.49 3hhn s PHE 59 Cb -0.16 -1.77 0.13 0.00 -0.57 0.00 0.00 43.02 40.64 3hhn s PHE 59 CO 0.02 0.36 1.45 -0.22 -0.10 0.00 0.00 175.22 176.73 3hhn h LYS 60 N 1.57 0.00 -6.45 0.44 3.64 -1.80 -3.44 116.57 110.52 3hhn h LYS 60 Ca -0.49 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.21 3hhn h LYS 60 Cb 1.21 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.82 3hhn h LYS 60 CO 0.65 0.34 -0.76 -1.21 -2.27 0.00 0.00 179.45 176.20 3hhn s GLU 61 N -3.04 2.28 0.18 1.90 0.41 -1.26 -5.03 118.70 114.14 3hhn s GLU 61 Ca 0.04 -0.87 -0.06 0.00 -0.41 0.00 0.00 54.97 53.67 3hhn s GLU 61 Cb 0.07 -2.32 0.08 0.00 -1.78 0.00 0.00 34.13 30.18 3hhn s GLU 61 CO 0.73 0.57 1.53 0.28 -0.49 0.00 0.00 175.26 177.88 3hhn h VAL 62 N 3.89 1.28 -0.59 2.63 2.07 -1.91 -3.04 116.25 120.58 3hhn h VAL 62 Ca -0.48 -1.57 -0.06 0.00 0.82 0.00 0.00 66.70 65.42 3hhn h VAL 62 Cb 1.16 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.36 3hhn h VAL 62 CO 0.50 0.51 0.13 0.77 0.02 0.00 0.00 177.57 179.50 3hhn h SER 63 N 0.63 0.87 -0.46 0.57 4.64 -1.95 -2.53 113.55 115.33 3hhn h SER 63 Ca 0.05 -0.17 0.07 0.00 -0.47 0.00 0.00 61.79 61.27 3hhn h SER 63 Cb 0.95 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.74 3hhn h SER 63 CO 0.09 0.86 0.09 0.28 -0.87 0.00 0.00 176.83 177.28 3hhn h SER 64 N 0.89 0.01 -0.62 4.97 0.02 -1.77 0.92 113.55 117.97 3hhn h SER 64 Ca 0.19 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 3hhn h SER 64 Cb 0.34 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 3hhn h SER 64 CO 0.00 0.04 0.34 0.00 -1.14 0.00 0.00 176.83 176.07 3hhn h ALA 65 N 1.35 0.80 0.01 3.77 0.00 -1.46 -0.78 119.26 122.94 3hhn h ALA 65 Ca 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hhn h ALA 65 Cb 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hhn h ALA 65 CO -0.29 0.32 -0.01 1.15 0.00 0.00 0.00 179.25 180.42 3hhn h THR 66 N 0.85 1.00 -0.19 0.00 2.02 -0.95 0.19 112.91 115.82 3hhn h THR 66 Ca 0.22 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 67.36 3hhn h THR 66 Cb 0.05 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3hhn h THR 66 CO -0.03 0.01 0.10 -1.13 0.37 0.00 0.00 175.52 174.84 3hhn h ASN 67 N -0.03 0.23 0.12 4.18 -0.00 -0.62 -1.93 115.58 117.53 3hhn h ASN 67 Ca -0.00 -0.01 -0.26 0.00 -0.00 0.00 0.00 56.30 56.03 3hhn h ASN 67 Cb 0.03 -0.06 0.03 0.00 -0.00 0.00 0.00 38.32 38.32 3hhn h ASN 67 CO 0.00 0.19 -1.08 0.00 -0.00 0.00 0.00 177.43 176.54 3hhn h ALA 68 N 1.85 -0.03 -0.45 1.57 0.00 -0.68 -2.88 119.26 118.64 3hhn h ALA 68 Ca 0.07 -0.73 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3hhn h ALA 68 Cb 0.01 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hhn h ALA 68 CO -0.01 0.57 0.28 1.25 0.00 0.00 0.00 179.25 181.34 3hhn h LEU 69 N 0.06 0.52 0.00 0.00 5.85 -0.30 -2.60 115.31 118.85 3hhn h LEU 69 Ca -0.17 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3hhn h LEU 69 Cb 1.79 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.69 3hhn h LEU 69 CO 0.21 0.39 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.60 3hhn h ARG 70 N 0.61 0.00 -0.00 1.25 2.43 -1.40 -3.03 114.38 114.23 3hhn h ARG 70 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3hhn h ARG 70 Cb -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3hhn h ARG 70 CO -0.03 0.48 -0.06 -1.13 -1.51 0.00 0.00 179.97 177.71 3hhn n SER 71 N -4.70 0.31 -0.00 -3.80 3.41 -1.09 -3.56 113.62 104.20 3hhn n SER 71 Ca -0.05 -0.53 0.04 0.00 -0.26 0.00 0.00 58.87 58.07 3hhn n SER 71 Cb 0.23 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.01 3hhn n SER 71 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hhn n MET 72 N -1.02 2.41 -1.65 4.33 2.81 -0.98 -4.93 117.12 118.09 3hhn n MET 72 Ca 0.16 -0.04 -0.52 0.00 -1.81 0.00 0.00 57.70 55.49 3hhn n MET 72 Cb 0.25 -1.02 -0.06 0.00 -0.71 0.00 0.00 33.22 31.68 3hhn n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3hhn n GLN 73 N -1.47 1.52 0.00 0.03 -0.06 -1.15 -0.72 117.38 115.53 3hhn n GLN 73 Ca 0.00 0.55 0.00 0.00 -2.00 0.00 0.00 57.00 55.55 3hhn n GLN 73 Cb 0.16 -2.26 0.00 0.00 -4.06 0.00 0.00 30.24 24.08 3hhn n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hhn n GLY 74 N 3.43 2.16 3.53 1.69 0.00 -0.76 -4.96 105.19 110.28 3hhn n GLY 74 Ca 0.21 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.69 3hhn n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hhn n PHE 75 N -2.00 0.91 -2.20 1.61 7.35 0.10 -3.74 117.46 119.49 3hhn n PHE 75 Ca 0.00 0.86 -0.32 0.00 -0.76 0.00 0.00 57.45 57.23 3hhn n PHE 75 Cb 0.00 -2.18 -0.05 0.00 0.35 0.00 0.00 39.48 37.60 3hhn n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3hhn s PRO 76 N -0.03 2.87 -0.32 -7.13 0.02 -1.26 -1.08 135.00 128.07 3hhn s PRO 76 Ca 0.83 -1.35 -0.20 0.00 0.02 0.00 0.00 61.00 60.31 3hhn s PRO 76 Cb -1.07 -5.31 -0.01 0.00 0.02 0.00 0.00 34.50 28.13 3hhn s PRO 76 CO 0.53 -3.53 0.61 0.12 -0.33 0.00 0.00 177.00 174.40 3hhn s PHE 77 N 9.28 3.19 -1.48 6.54 5.36 -0.11 -4.09 117.98 136.68 3hhn s PHE 77 Ca 0.65 0.46 -0.10 0.00 -0.96 0.00 0.00 56.93 56.98 3hhn s PHE 77 Cb 0.00 -3.01 0.06 0.00 -0.34 0.00 0.00 43.02 39.74 3hhn s PHE 77 CO 0.11 -0.52 0.86 0.66 -1.46 0.00 0.00 175.22 174.88 3hhn n TYR 78 N 5.89 -2.13 -2.66 10.12 4.02 -1.26 -1.91 117.16 129.23 3hhn n TYR 78 Ca -0.02 0.87 -0.13 0.00 -0.01 0.00 0.00 57.90 58.61 3hhn n TYR 78 Cb 0.49 -4.00 0.02 0.00 -0.02 0.00 0.00 39.34 35.82 3hhn n TYR 78 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3hhn n ASP 79 N -2.89 -4.24 -3.68 7.72 10.43 -1.26 -4.75 116.55 117.89 3hhn n ASP 79 Ca -0.06 -0.15 -0.10 0.00 2.57 0.00 0.00 54.79 57.05 3hhn n ASP 79 Cb 0.57 -3.15 -0.10 0.00 1.84 0.00 0.00 41.12 40.28 3hhn n ASP 79 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3hhn s LYS 80 N -5.15 0.42 0.07 -1.24 1.02 -0.80 -5.03 119.74 109.03 3hhn s LYS 80 Ca 0.16 0.89 -0.30 0.00 0.02 0.00 0.00 55.97 56.73 3hhn s LYS 80 Cb -0.07 0.06 -0.10 0.00 -0.52 0.00 0.00 37.83 37.21 3hhn s LYS 80 CO 0.20 -0.17 1.91 -2.14 -0.92 0.00 0.00 175.35 174.23 3hhn s PRO 81 N 1.65 4.14 0.57 -1.68 0.02 -1.26 -0.93 135.00 137.51 3hhn s PRO 81 Ca -0.08 2.61 -0.19 0.00 0.02 0.00 0.00 61.00 63.36 3hhn s PRO 81 Cb -0.09 -3.92 -0.04 0.00 0.02 0.00 0.00 34.50 30.47 3hhn s PRO 81 CO -0.14 -0.91 1.16 -1.64 -0.33 0.00 0.00 177.00 175.15 3hhn s MET 82 N 3.73 3.15 -0.48 5.54 -1.94 -0.24 -4.82 119.30 124.23 3hhn s MET 82 Ca 0.85 1.69 0.03 0.00 -1.71 0.00 0.00 55.69 56.55 3hhn s MET 82 Cb -0.44 -1.97 0.14 0.00 2.01 0.00 0.00 34.83 34.57 3hhn s MET 82 CO 0.39 -1.03 0.28 1.03 -0.01 0.00 0.00 175.02 175.68 3hhn s ARG 83 N -3.36 1.49 -0.03 2.03 1.81 -1.19 -1.84 118.95 117.86 3hhn s ARG 83 Ca 0.74 -2.24 -0.19 0.00 -1.72 0.00 0.00 55.73 52.32 3hhn s ARG 83 Cb -0.26 -2.53 -0.05 0.00 -0.45 0.00 0.00 34.95 31.65 3hhn s ARG 83 CO 0.30 -1.18 0.52 0.42 -0.68 0.00 0.00 175.30 174.68 3hhn s ILE 84 N 0.05 5.00 0.24 1.52 1.01 -1.26 -3.12 121.20 124.64 3hhn s ILE 84 Ca 0.19 1.07 0.01 0.00 0.00 0.00 0.00 60.65 61.92 3hhn s ILE 84 Cb -0.21 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 3hhn s ILE 84 CO -0.03 0.43 0.13 -1.10 0.00 0.00 0.00 174.94 174.37 3hhn s GLN 85 N -0.20 1.35 0.32 2.79 -0.21 0.30 -4.98 119.66 119.04 3hhn s GLN 85 Ca 0.28 -1.73 -0.25 0.00 0.02 0.00 0.00 55.36 53.67 3hhn s GLN 85 Cb -0.17 0.04 -0.10 0.00 1.00 0.00 0.00 33.01 33.78 3hhn s GLN 85 CO 0.14 -0.38 0.93 0.71 -2.12 0.00 0.00 175.29 174.57 3hhn s TYR 86 N -3.91 3.66 0.28 0.91 2.02 -1.26 0.31 117.35 119.36 3hhn s TYR 86 Ca 0.38 1.74 -0.29 0.00 -0.37 0.00 0.00 57.07 58.52 3hhn s TYR 86 Cb 0.07 -2.89 -0.10 0.00 -0.40 0.00 0.00 41.96 38.64 3hhn s TYR 86 CO 0.14 0.19 1.37 0.00 -1.57 0.00 0.00 175.55 175.69 3hhn s ALA 87 N -1.66 3.56 0.12 3.71 0.00 -0.63 -4.56 121.76 122.30 3hhn s ALA 87 Ca 0.51 1.28 0.34 0.00 0.00 0.00 0.00 51.96 54.09 3hhn s ALA 87 Cb -0.18 -3.52 1.44 0.00 0.00 0.00 0.00 23.12 20.87 3hhn s ALA 87 CO 0.23 -0.69 2.00 0.87 0.00 0.00 0.00 175.76 178.18 3hhn h LYS 88 N 4.35 0.00 -3.84 0.00 6.56 -1.95 -3.44 116.57 118.24 3hhn h LYS 88 Ca -0.47 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 58.98 3hhn h LYS 88 Cb 1.22 0.00 -0.19 0.00 -0.57 0.00 0.00 32.23 32.69 3hhn h LYS 88 CO 0.72 0.00 -0.58 0.95 -2.06 0.00 0.00 179.45 178.49 3hhn s THR 89 N -3.69 0.13 0.59 -0.16 -4.23 -1.26 -5.13 115.64 101.88 3hhn s THR 89 Ca 0.01 -1.05 -0.19 0.00 -1.18 0.00 0.00 61.69 59.28 3hhn s THR 89 Cb 0.09 -0.72 -0.04 0.00 1.34 0.00 0.00 72.50 73.17 3hhn s THR 89 CO 0.52 -0.58 1.21 -1.81 -0.54 0.00 0.00 174.62 173.43 3hhn s ASP 90 N -1.92 5.21 0.55 3.99 1.01 -1.26 -4.97 116.67 119.28 3hhn s ASP 90 Ca -0.08 2.40 -0.14 0.00 0.71 0.00 0.00 52.55 55.44 3hhn s ASP 90 Cb -0.03 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.23 3hhn s ASP 90 CO -0.03 -1.58 0.99 -0.44 0.21 0.00 0.00 175.17 174.31 3hhn s SER 91 N -1.56 6.47 0.24 0.27 0.01 -1.26 -4.85 113.70 113.02 3hhn s SER 91 Ca 0.77 1.48 -0.06 0.00 1.31 0.00 0.00 55.95 59.46 3hhn s SER 91 Cb -0.31 -2.48 0.29 0.00 0.21 0.00 0.00 66.02 63.73 3hhn s SER 91 CO 0.33 -0.68 1.89 0.44 0.41 0.00 0.00 173.24 175.63 3hhn h ASP 92 N 0.47 0.99 -0.09 2.44 3.32 -1.98 0.60 116.42 122.17 3hhn h ASP 92 Ca -0.46 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.61 3hhn h ASP 92 Cb 1.19 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3hhn h ASP 92 CO 0.62 0.68 0.07 0.40 -1.72 0.00 0.00 179.24 179.28 3hhn h ILE 93 N 1.15 0.93 0.08 0.35 1.08 -1.93 -1.20 117.51 117.97 3hhn h ILE 93 Ca 0.37 0.00 -0.37 0.00 -0.39 0.00 0.00 64.86 64.47 3hhn h ILE 93 Cb 0.01 0.95 -0.04 0.00 -3.07 0.00 0.00 36.82 34.67 3hhn h ILE 93 CO -0.12 0.00 -2.15 -0.38 -0.69 0.00 0.00 178.15 174.81 3hhn n ILE 94 N -4.48 1.67 -0.30 -0.67 5.41 -0.64 -3.91 119.36 116.45 3hhn n ILE 94 Ca -0.01 -0.60 -0.01 0.00 1.00 0.00 0.00 62.75 63.13 3hhn n ILE 94 Cb 0.18 -1.64 0.11 0.00 -0.71 0.00 0.00 39.64 37.58 3hhn n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hhn h ALA 95 N 0.01 1.10 -0.56 -1.39 0.00 -0.79 -1.58 119.26 116.04 3hhn h ALA 95 Ca -0.48 -0.03 -0.42 0.00 0.00 0.00 0.00 54.91 53.98 3hhn h ALA 95 Cb 1.96 -0.27 -0.17 0.00 0.00 0.00 0.00 17.79 19.31 3hhn h ALA 95 CO 0.01 0.34 0.48 0.36 0.00 0.00 0.00 179.25 180.43 3hhn n LYS 96 N -4.58 2.08 0.00 0.00 0.00 -0.46 -3.79 118.16 111.41 3hhn n LYS 96 Ca 0.10 -2.01 0.00 0.00 -0.00 0.00 0.00 58.31 56.40 3hhn n LYS 96 Cb 0.11 -1.84 0.00 0.00 -0.00 0.00 0.00 35.03 33.29 3hhn n LYS 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 3hhn n MET 97 N 0.31 0.00 0.00 -1.58 0.00 -0.66 -4.95 117.12 110.24 3hhn n MET 97 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.09 3hhn n MET 97 Cb 0.57 -0.37 0.00 0.00 0.00 0.00 0.00 33.22 33.42 3hhn n MET 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60