#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hh1 s HIS 7 N 0.00 3.30 0.19 0.00 2.46 -1.26 -5.00 115.29 114.98 3hh1 s HIS 7 Ca 0.00 1.05 -0.27 0.00 0.47 0.00 0.00 55.06 56.31 3hh1 s HIS 7 Cb 0.00 -3.61 -0.08 0.00 -0.13 0.00 0.00 32.58 28.75 3hh1 s HIS 7 CO 0.00 -2.09 0.83 0.15 -2.47 0.00 0.00 174.74 171.16 3hh1 s LYS 8 N 1.07 4.66 0.69 2.88 1.02 -1.26 -3.73 119.74 125.08 3hh1 s LYS 8 Ca 0.63 1.27 -0.11 0.00 0.02 0.00 0.00 55.97 57.78 3hh1 s LYS 8 Cb -0.35 -3.27 0.01 0.00 -0.52 0.00 0.00 37.83 33.70 3hh1 s LYS 8 CO 0.30 0.55 1.06 0.20 -0.92 0.00 0.00 175.35 176.54 3hh1 s GLY 9 N -1.13 1.67 -0.11 -3.33 0.00 -0.14 -4.86 107.32 99.42 3hh1 s GLY 9 Ca 0.38 0.07 -0.03 0.00 0.00 0.00 0.00 44.72 45.13 3hh1 s GLY 9 CO 0.28 0.37 0.02 -1.59 0.00 0.00 0.00 173.10 172.18 3hh1 s THR 10 N -3.06 4.44 -0.51 0.90 2.01 -1.26 -4.27 115.64 113.89 3hh1 s THR 10 Ca 0.58 -0.19 -0.23 0.00 0.31 0.00 0.00 61.69 62.16 3hh1 s THR 10 Cb -0.14 -2.90 0.04 0.00 0.01 0.00 0.00 72.50 69.51 3hh1 s THR 10 CO 0.55 0.57 0.84 -0.22 -0.69 0.00 0.00 174.62 175.67 3hh1 s LEU 11 N -0.56 4.31 -0.18 4.42 2.96 -0.35 -1.58 118.68 127.70 3hh1 s LEU 11 Ca 0.10 -0.39 -0.21 0.00 -0.22 0.00 0.00 54.13 53.41 3hh1 s LEU 11 Cb -0.12 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 3hh1 s LEU 11 CO 0.02 -1.07 0.61 -0.31 -1.32 0.00 0.00 176.35 174.28 3hh1 s TYR 12 N 3.51 3.40 -0.34 5.38 2.02 0.17 -0.74 117.35 130.76 3hh1 s TYR 12 Ca 0.27 0.94 -0.14 0.00 -0.37 0.00 0.00 57.07 57.78 3hh1 s TYR 12 Cb -0.14 -2.77 -0.02 0.00 -0.40 0.00 0.00 41.96 38.64 3hh1 s TYR 12 CO 0.19 -0.12 0.29 0.08 -1.57 0.00 0.00 175.55 174.42 3hh1 s VAL 13 N 1.69 5.24 -0.24 0.71 1.01 0.07 -0.21 120.40 128.68 3hh1 s VAL 13 Ca 0.29 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 3hh1 s VAL 13 Cb -0.16 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.49 3hh1 s VAL 13 CO 0.11 -0.03 -0.06 -0.69 0.00 0.00 0.00 175.10 174.43 3hh1 s VAL 14 N 1.84 2.94 0.02 2.92 1.01 0.00 0.00 120.40 129.14 3hh1 s VAL 14 Ca 0.08 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 3hh1 s VAL 14 Cb -0.17 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 3hh1 s VAL 14 CO 0.11 0.27 0.80 0.00 0.00 0.00 0.00 175.10 176.28 3hh1 s ALA 15 N 1.36 3.32 -0.05 5.51 0.00 -1.25 -1.77 121.76 128.88 3hh1 s ALA 15 Ca 0.02 0.31 0.04 0.00 0.00 0.00 0.00 51.96 52.32 3hh1 s ALA 15 Cb -0.16 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3hh1 s ALA 15 CO -0.05 -0.02 -0.15 0.95 0.00 0.00 0.00 175.76 176.49 3hh1 s THR 16 N 0.29 1.31 0.67 0.00 -4.23 -0.28 -4.75 115.64 108.65 3hh1 s THR 16 Ca 0.41 -0.63 -0.11 0.00 -1.18 0.00 0.00 61.69 60.18 3hh1 s THR 16 Cb -0.20 -1.15 -0.01 0.00 1.34 0.00 0.00 72.50 72.48 3hh1 s THR 16 CO 0.23 0.39 1.06 -2.16 -0.54 0.00 0.00 174.62 173.60 3hh1 s PRO 17 N 0.23 3.14 0.14 3.99 0.04 -1.26 -0.20 135.00 141.09 3hh1 s PRO 17 Ca -0.07 0.71 -0.06 0.00 0.04 0.00 0.00 61.00 61.61 3hh1 s PRO 17 Cb -0.13 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3hh1 s PRO 17 CO 0.03 -0.89 1.36 1.25 0.04 0.00 0.00 177.00 178.79 3hh1 h LEU 18 N -0.55 0.66 0.00 -3.56 7.12 -2.00 -3.46 115.31 113.53 3hh1 h LEU 18 Ca -0.44 -0.46 -0.31 0.00 0.13 0.00 0.00 57.88 56.80 3hh1 h LEU 18 Cb 1.22 -0.20 -0.07 0.00 -0.53 0.00 0.00 40.66 41.08 3hh1 h LEU 18 CO 0.61 1.23 -0.26 0.61 -0.13 0.00 0.00 178.44 180.50 3hh1 n GLY 19 N 0.70 3.64 4.15 3.75 0.00 -1.26 -4.84 105.19 111.33 3hh1 n GLY 19 Ca -0.06 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.61 3hh1 n GLY 19 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hh1 n ASN 20 N -1.73 -0.94 0.01 1.61 3.02 -1.26 -4.81 115.26 111.15 3hh1 n ASN 20 Ca -0.04 -1.09 0.13 0.00 -0.03 0.00 0.00 54.58 53.55 3hh1 n ASN 20 Cb 0.34 -2.53 0.57 0.00 -0.61 0.00 0.00 39.78 37.54 3hh1 n ASN 20 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3hh1 h LEU 21 N -1.67 0.22 -0.48 3.41 3.38 -1.88 -1.94 115.31 116.36 3hh1 h LEU 21 Ca -0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.35 3hh1 h LEU 21 Cb 1.38 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3hh1 h LEU 21 CO 0.71 0.14 0.00 0.47 0.09 0.00 0.00 178.44 179.84 3hh1 n ASP 22 N -4.46 0.35 -4.57 -0.43 8.00 -1.26 -4.89 116.55 109.30 3hh1 n ASP 22 Ca 0.07 0.60 -0.43 0.00 0.71 0.00 0.00 54.79 55.74 3hh1 n ASP 22 Cb 0.35 -0.67 -0.00 0.00 -0.02 0.00 0.00 41.12 40.78 3hh1 n ASP 22 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3hh1 s ASP 23 N -3.66 6.84 0.12 -2.24 1.01 -0.73 -5.02 116.67 112.98 3hh1 s ASP 23 Ca 0.04 -2.44 0.06 0.00 0.71 0.00 0.00 52.55 50.91 3hh1 s ASP 23 Cb 0.08 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3hh1 s ASP 23 CO 0.28 -1.15 -0.00 0.42 0.21 0.00 0.00 175.17 174.93 3hh1 s THR 25 N 4.01 3.91 0.24 -1.27 -4.23 -1.26 -5.18 115.64 111.87 3hh1 s THR 25 Ca 0.52 -1.12 -0.04 0.00 -1.18 0.00 0.00 61.69 59.86 3hh1 s THR 25 Cb 0.03 -2.89 0.21 0.00 1.34 0.00 0.00 72.50 71.19 3hh1 s THR 25 CO 0.06 0.05 1.73 0.15 -0.54 0.00 0.00 174.62 176.08 3hh1 h PHE 26 N 3.22 0.52 -0.64 3.99 3.57 -1.98 -0.96 116.94 124.65 3hh1 h PHE 26 Ca -0.48 0.04 0.09 0.00 3.53 0.00 0.00 57.97 61.15 3hh1 h PHE 26 Cb 1.18 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.73 3hh1 h PHE 26 CO 0.61 0.07 0.28 -0.09 -2.23 0.00 0.00 178.31 176.95 3hh1 h ARG 27 N 0.45 0.48 -0.34 1.11 2.43 -1.98 0.14 114.38 116.68 3hh1 h ARG 27 Ca 0.41 -0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.48 3hh1 h ARG 27 Cb 0.60 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 3hh1 h ARG 27 CO -0.39 0.32 -0.04 0.00 -1.51 0.00 0.00 179.97 178.35 3hh1 h ALA 28 N 1.40 0.46 -0.51 2.80 0.00 -1.56 -1.35 119.26 120.52 3hh1 h ALA 28 Ca 0.31 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 3hh1 h ALA 28 Cb 0.34 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hh1 h ALA 28 CO -0.27 0.27 -0.14 0.28 0.00 0.00 0.00 179.25 179.38 3hh1 h VAL 29 N 0.42 1.27 -0.39 0.00 2.07 -0.83 -2.38 116.25 116.42 3hh1 h VAL 29 Ca 0.09 -1.29 -0.10 0.00 0.82 0.00 0.00 66.70 66.22 3hh1 h VAL 29 Cb 0.52 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3hh1 h VAL 29 CO 0.03 0.45 -0.17 -1.13 0.02 0.00 0.00 177.57 176.77 3hh1 h ASN 30 N 0.86 0.72 -0.23 0.57 -0.73 -0.67 0.15 115.58 116.25 3hh1 h ASN 30 Ca 0.13 -0.23 0.01 0.00 1.87 0.00 0.00 56.30 58.08 3hh1 h ASN 30 Cb 0.70 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 3hh1 h ASN 30 CO 0.05 0.89 0.12 0.74 -0.37 0.00 0.00 177.43 178.86 3hh1 h THR 31 N 0.64 1.01 -0.59 -3.57 2.02 -1.01 -1.85 112.91 109.55 3hh1 h THR 31 Ca 0.10 -0.09 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 3hh1 h THR 31 Cb 0.64 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3hh1 h THR 31 CO 0.05 0.05 0.05 -0.07 0.37 0.00 0.00 175.52 175.97 3hh1 h LEU 32 N 0.25 0.98 -0.92 2.58 3.38 -1.03 -2.44 115.31 118.12 3hh1 h LEU 32 Ca 0.09 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.79 3hh1 h LEU 32 Cb 0.01 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 3hh1 h LEU 32 CO -0.06 1.02 0.61 -0.09 0.09 0.00 0.00 178.44 180.01 3hh1 h ARG 33 N 0.91 1.19 -0.50 1.13 2.43 -0.35 -3.12 114.38 116.07 3hh1 h ARG 33 Ca 0.18 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 3hh1 h ARG 33 Cb 0.48 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 3hh1 h ARG 33 CO 0.02 0.79 0.00 0.09 -1.51 0.00 0.00 179.97 179.36 3hh1 n ASN 34 N -4.45 3.44 -4.76 -3.80 3.02 -0.73 -5.00 115.26 102.98 3hh1 n ASN 34 Ca 0.10 -1.97 -0.36 0.00 -0.03 0.00 0.00 54.58 52.33 3hh1 n ASN 34 Cb 0.02 -0.33 0.02 0.00 -0.61 0.00 0.00 39.78 38.88 3hh1 n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hh1 s ALA 35 N -1.10 2.65 0.38 5.41 0.00 -0.92 -4.92 121.76 123.25 3hh1 s ALA 35 Ca 0.37 0.95 0.12 0.00 0.00 0.00 0.00 51.96 53.40 3hh1 s ALA 35 Cb 0.20 -3.42 0.76 0.00 0.00 0.00 0.00 23.12 20.66 3hh1 s ALA 35 CO 0.27 -0.98 1.86 0.78 0.00 0.00 0.00 175.76 177.69 3hh1 h GLY 36 N 1.12 0.09 -3.16 0.00 0.00 -1.59 -3.45 103.07 96.08 3hh1 h GLY 36 Ca -0.50 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.77 3hh1 h GLY 36 CO 0.56 0.06 0.27 0.00 0.00 0.00 0.00 176.54 177.43 3hh1 s ALA 37 N -4.39 -1.66 -0.13 3.60 0.00 -1.23 -4.54 121.76 113.41 3hh1 s ALA 37 Ca -0.04 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.60 3hh1 s ALA 37 Cb 0.15 0.71 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 3hh1 s ALA 37 CO 0.73 -0.72 -0.19 0.42 0.00 0.00 0.00 175.76 176.00 3hh1 s ILE 38 N -3.41 2.46 -0.12 0.00 1.01 -0.15 -1.46 121.20 119.53 3hh1 s ILE 38 Ca 0.01 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.76 3hh1 s ILE 38 Cb -0.01 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 3hh1 s ILE 38 CO -0.10 0.54 0.04 0.00 0.00 0.00 0.00 174.94 175.41 3hh1 s ALA 39 N 0.55 3.40 0.01 9.38 0.00 0.80 -0.38 121.76 135.52 3hh1 s ALA 39 Ca -0.11 -0.76 -0.23 0.00 0.00 0.00 0.00 51.96 50.85 3hh1 s ALA 39 Cb -0.16 -1.67 0.05 0.00 0.00 0.00 0.00 23.12 21.34 3hh1 s ALA 39 CO 0.04 0.48 0.52 0.00 0.00 0.00 0.00 175.76 176.81 3hh1 n GLU 41 N 0.70 0.64 -3.85 0.00 0.00 -1.26 -1.11 120.64 115.77 3hh1 n GLU 41 Ca -0.19 0.09 -0.32 0.00 0.00 0.00 0.00 57.16 56.74 3hh1 n GLU 41 Cb 0.59 -1.69 -0.12 0.00 0.00 0.00 0.00 31.44 30.21 3hh1 n GLU 41 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3hh1 s ASP 42 N -5.44 4.83 0.27 4.31 -1.08 -1.26 -4.69 116.67 113.61 3hh1 s ASP 42 Ca -0.05 -3.22 -0.02 0.00 -0.52 0.00 0.00 52.55 48.74 3hh1 s ASP 42 Cb 0.09 -1.73 0.37 0.00 -1.46 0.00 0.00 42.92 40.20 3hh1 s ASP 42 CO 0.83 -0.23 1.83 0.74 0.52 0.00 0.00 175.17 178.86 3hh1 h THR 43 N 5.07 1.23 -0.15 1.71 2.02 -1.95 -1.57 112.91 119.26 3hh1 h THR 43 Ca 0.01 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.39 3hh1 h THR 43 Cb 0.87 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 3hh1 h THR 43 CO 0.72 0.30 0.07 -0.09 0.37 0.00 0.00 175.52 176.89 3hh1 h ARG 44 N 0.86 0.22 -0.75 6.66 2.43 -2.00 0.31 114.38 122.11 3hh1 h ARG 44 Ca 0.19 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.29 3hh1 h ARG 44 Cb 0.26 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3hh1 h ARG 44 CO -0.01 0.29 0.31 -0.09 -1.51 0.00 0.00 179.97 178.96 3hh1 h ARG 45 N 0.10 1.11 -0.48 0.20 2.43 -1.96 -2.51 114.38 113.27 3hh1 h ARG 45 Ca 0.05 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 58.91 3hh1 h ARG 45 Cb 0.15 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3hh1 h ARG 45 CO -0.01 0.89 -0.19 1.15 -1.51 0.00 0.00 179.97 180.31 3hh1 h THR 46 N 1.09 1.27 -0.81 0.20 2.02 -0.98 -1.89 112.91 113.81 3hh1 h THR 46 Ca 0.25 -1.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.09 3hh1 h THR 46 Cb 0.19 1.10 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3hh1 h THR 46 CO -0.02 0.46 0.49 0.28 0.37 0.00 0.00 175.52 177.10 3hh1 h SER 47 N 0.83 0.97 -0.35 4.18 0.02 -0.74 -0.68 113.55 117.77 3hh1 h SER 47 Ca 0.11 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3hh1 h SER 47 Cb 0.75 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 3hh1 h SER 47 CO 0.06 0.75 0.21 0.40 -1.14 0.00 0.00 176.83 177.10 3hh1 h ILE 48 N 1.10 1.04 -0.15 3.27 2.04 -1.14 -0.79 117.51 122.88 3hh1 h ILE 48 Ca 0.29 -0.15 0.03 0.00 1.00 0.00 0.00 64.86 66.03 3hh1 h ILE 48 Cb -0.04 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3hh1 h ILE 48 CO -0.05 0.08 -0.02 0.25 0.00 0.00 0.00 178.15 178.41 3hh1 h LEU 49 N 0.43 -0.09 -0.48 1.44 6.46 -0.97 -1.27 115.31 120.82 3hh1 h LEU 49 Ca 0.14 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.93 3hh1 h LEU 49 Cb -0.00 0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 3hh1 h LEU 49 CO -0.06 -0.03 0.28 -0.07 -0.62 0.00 0.00 178.44 177.94 3hh1 h LEU 50 N 0.03 0.59 -0.81 2.25 3.38 -0.93 -2.39 115.31 117.44 3hh1 h LEU 50 Ca 0.07 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.00 3hh1 h LEU 50 Cb 0.10 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3hh1 h LEU 50 CO -0.13 0.50 0.51 0.50 0.09 0.00 0.00 178.44 179.90 3hh1 h LYS 51 N 0.64 0.95 -0.94 1.13 3.64 -1.03 -0.40 116.57 120.56 3hh1 h LYS 51 Ca 0.17 -0.06 0.11 0.00 -1.27 0.00 0.00 60.65 59.61 3hh1 h LYS 51 Cb 0.03 -0.21 -0.08 0.00 -0.41 0.00 0.00 32.23 31.55 3hh1 h LYS 51 CO -0.03 0.63 0.57 1.25 -2.27 0.00 0.00 179.45 179.60 3hh1 h HIS 52 N 0.98 1.04 -0.40 1.91 2.76 -0.72 -1.82 115.15 118.90 3hh1 h HIS 52 Ca 0.33 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.53 3hh1 h HIS 52 Cb 0.05 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 28.68 3hh1 h HIS 52 CO -0.03 0.41 0.00 1.19 -1.30 0.00 0.00 177.93 178.20 3hh1 n PHE 53 N -4.67 0.52 -3.23 5.26 3.72 -0.90 -4.94 117.46 113.22 3hh1 n PHE 53 Ca 0.17 -0.26 -0.19 0.00 -0.05 0.00 0.00 57.45 57.12 3hh1 n PHE 53 Cb 0.33 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.92 3hh1 n PHE 53 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hh1 n GLY 54 N 1.36 -0.27 3.49 1.37 0.00 -0.68 -4.97 105.19 105.49 3hh1 n GLY 54 Ca 0.18 0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3hh1 n GLY 54 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hh1 s ILE 55 N -3.20 4.95 0.02 -0.61 1.01 -0.22 -5.02 121.20 118.13 3hh1 s ILE 55 Ca 0.40 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 60.95 3hh1 s ILE 55 Cb -0.18 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.12 3hh1 s ILE 55 CO 0.50 -0.54 -0.12 -1.61 0.00 0.00 0.00 174.94 173.17 3hh1 s GLU 56 N 2.49 2.32 -0.08 2.79 2.02 -1.26 -4.40 118.70 122.58 3hh1 s GLU 56 Ca 0.17 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3hh1 s GLU 56 Cb -0.16 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.72 3hh1 s GLU 56 CO 0.16 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.42 3hh1 n GLY 57 N 1.56 0.48 3.75 -1.39 0.00 -1.26 -5.00 105.19 103.33 3hh1 n GLY 57 Ca -0.16 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 3hh1 n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hh1 s LYS 58 N -0.81 4.41 0.01 1.61 2.47 -1.26 -4.98 119.74 121.20 3hh1 s LYS 58 Ca 0.00 2.07 -0.30 0.00 -1.56 0.00 0.00 55.97 56.18 3hh1 s LYS 58 Cb 0.00 -3.15 -0.05 0.00 -1.46 0.00 0.00 37.83 33.16 3hh1 s LYS 58 CO 0.00 -0.16 1.34 0.50 0.16 0.00 0.00 175.35 177.19 3hh1 s ARG 59 N -0.88 4.32 -0.10 4.03 3.52 -1.26 -4.95 118.95 123.63 3hh1 s ARG 59 Ca 0.52 1.91 -0.02 0.00 -0.13 0.00 0.00 55.73 58.01 3hh1 s ARG 59 Cb -0.37 -3.50 -0.03 0.00 -1.56 0.00 0.00 34.95 29.49 3hh1 s ARG 59 CO 0.44 -0.50 -0.02 -0.51 -0.81 0.00 0.00 175.30 173.90 3hh1 s LEU 60 N 2.05 3.41 -0.29 -0.88 1.43 -1.26 -0.98 118.68 122.16 3hh1 s LEU 60 Ca 0.62 0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.72 3hh1 s LEU 60 Cb -0.31 -1.78 0.03 0.00 0.03 0.00 0.00 46.19 44.16 3hh1 s LEU 60 CO 0.26 0.32 0.02 -0.69 0.23 0.00 0.00 176.35 176.50 3hh1 s VAL 61 N -0.57 3.39 -0.24 -1.59 1.01 0.49 -4.93 120.40 117.96 3hh1 s VAL 61 Ca 0.09 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 3hh1 s VAL 61 Cb -0.12 -2.81 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 3hh1 s VAL 61 CO 0.02 0.04 0.15 -0.94 0.00 0.00 0.00 175.10 174.37 3hh1 s SER 62 N 1.38 5.95 -0.14 3.32 1.04 -1.26 -1.46 113.70 122.53 3hh1 s SER 62 Ca -0.00 0.05 -0.23 0.00 0.48 0.00 0.00 55.95 56.25 3hh1 s SER 62 Cb -0.18 -2.08 -0.03 0.00 0.10 0.00 0.00 66.02 63.84 3hh1 s SER 62 CO -0.00 0.04 0.72 -0.47 0.98 0.00 0.00 173.24 174.51 3hh1 s TYR 63 N 1.19 3.46 -0.00 5.02 5.04 -0.27 -4.76 117.35 127.03 3hh1 s TYR 63 Ca 0.07 1.14 0.04 0.00 -2.44 0.00 0.00 57.07 55.88 3hh1 s TYR 63 Cb -0.14 -2.87 -0.01 0.00 0.35 0.00 0.00 41.96 39.29 3hh1 s TYR 63 CO 0.05 -0.10 -0.12 -1.01 -1.34 0.00 0.00 175.55 173.04 3hh1 s HIS 64 N 1.59 1.03 0.17 4.97 3.76 -1.26 -4.64 115.29 120.91 3hh1 s HIS 64 Ca 0.35 -0.21 -0.24 0.00 -0.15 0.00 0.00 55.06 54.80 3hh1 s HIS 64 Cb -0.17 -0.66 0.05 0.00 1.11 0.00 0.00 32.58 32.92 3hh1 s HIS 64 CO 0.14 -0.01 1.58 0.77 -0.85 0.00 0.00 174.74 176.36 3hh1 h SER 65 N 5.73 -1.31 -0.18 1.40 0.02 -1.97 -0.14 113.55 117.10 3hh1 h SER 65 Ca -0.33 0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3hh1 h SER 65 Cb 1.17 0.60 -0.01 0.00 0.14 0.00 0.00 62.40 64.31 3hh1 h SER 65 CO 0.49 -0.33 0.12 0.15 -1.14 0.00 0.00 176.83 176.11 3hh1 h PHE 66 N -0.24 0.19 -0.44 3.45 3.57 -2.03 -1.49 116.94 119.96 3hh1 h PHE 66 Ca 0.18 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.47 3hh1 h PHE 66 Cb 0.56 -0.07 -0.13 0.00 2.79 0.00 0.00 35.95 39.11 3hh1 h PHE 66 CO -0.63 0.12 0.02 0.09 -2.23 0.00 0.00 178.31 175.68 3hh1 n ASN 67 N -4.51 2.76 -0.21 0.41 3.02 -0.85 -4.71 115.26 111.18 3hh1 n ASN 67 Ca 0.00 -3.70 0.01 0.00 -0.03 0.00 0.00 54.58 50.87 3hh1 n ASN 67 Cb 0.11 -0.66 0.11 0.00 -0.61 0.00 0.00 39.78 38.72 3hh1 n ASN 67 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 3hh1 h GLU 68 N 1.08 0.09 -0.78 3.52 4.81 0.07 -1.96 114.58 121.41 3hh1 h GLU 68 Ca 0.26 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 3hh1 h GLU 68 Cb 1.81 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 31.12 3hh1 h GLU 68 CO 0.48 0.06 0.47 0.93 -0.73 0.00 0.00 179.01 180.22 3hh1 h GLU 69 N 0.10 0.84 -0.49 1.92 5.08 -1.84 -1.23 114.58 118.96 3hh1 h GLU 69 Ca 0.34 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.59 3hh1 h GLU 69 Cb 0.55 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3hh1 h GLU 69 CO -0.57 0.56 0.09 -0.09 -1.00 0.00 0.00 179.01 178.00 3hh1 h ARG 70 N 0.87 0.81 -0.33 2.33 2.43 -1.73 0.11 114.38 118.86 3hh1 h ARG 70 Ca 0.34 -0.21 -0.08 0.00 -0.81 0.00 0.00 59.98 59.21 3hh1 h ARG 70 Cb 0.16 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3hh1 h ARG 70 CO -0.17 0.81 -0.12 0.00 -1.51 0.00 0.00 179.97 178.98 3hh1 h ALA 71 N 0.97 0.46 -0.39 2.80 0.00 -1.30 -1.41 119.26 120.40 3hh1 h ALA 71 Ca 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3hh1 h ALA 71 Cb 0.38 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3hh1 h ALA 71 CO 0.01 0.34 0.21 0.28 0.00 0.00 0.00 179.25 180.08 3hh1 h VAL 72 N 0.45 1.16 -0.44 0.00 2.07 -1.15 -1.88 116.25 116.45 3hh1 h VAL 72 Ca 0.08 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.21 3hh1 h VAL 72 Cb 0.63 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3hh1 h VAL 72 CO 0.04 0.16 0.25 -0.09 0.02 0.00 0.00 177.57 177.95 3hh1 h ARG 73 N 0.50 0.48 -0.76 1.57 2.43 -0.69 -0.25 114.38 117.65 3hh1 h ARG 73 Ca 0.14 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3hh1 h ARG 73 Cb 0.08 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3hh1 h ARG 73 CO -0.02 0.32 0.50 1.96 -1.51 0.00 0.00 179.97 181.22 3hh1 h GLN 74 N 0.49 0.99 -0.16 0.20 4.20 -0.98 -0.18 115.11 119.67 3hh1 h GLN 74 Ca 0.18 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3hh1 h GLN 74 Cb 0.04 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 3hh1 h GLN 74 CO -0.10 0.66 -0.09 0.28 -0.67 0.00 0.00 178.83 178.91 3hh1 h VAL 75 N 1.02 1.32 -0.74 -0.54 2.07 -0.96 -1.60 116.25 116.82 3hh1 h VAL 75 Ca 0.28 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.61 3hh1 h VAL 75 Cb -0.10 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3hh1 h VAL 75 CO -0.07 0.34 0.32 0.40 0.02 0.00 0.00 177.57 178.58 3hh1 h ILE 76 N 0.02 1.25 -0.54 4.57 1.08 -0.89 -0.89 117.51 122.11 3hh1 h ILE 76 Ca 0.04 -0.75 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 3hh1 h ILE 76 Cb 0.57 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.67 3hh1 h ILE 76 CO 0.03 0.31 0.27 -0.33 -0.69 0.00 0.00 178.15 177.73 3hh1 h GLU 77 N 1.05 0.78 -0.51 2.37 5.08 -0.99 -0.03 114.58 122.33 3hh1 h GLU 77 Ca 0.25 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3hh1 h GLU 77 Cb 0.18 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3hh1 h GLU 77 CO -0.02 0.63 0.18 1.25 -1.00 0.00 0.00 179.01 180.05 3hh1 h LEU 78 N 0.73 0.73 -0.58 1.33 5.85 -0.85 -1.38 115.31 121.14 3hh1 h LEU 78 Ca 0.19 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3hh1 h LEU 78 Cb 0.11 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 3hh1 h LEU 78 CO -0.02 0.72 0.26 -0.07 -0.34 0.00 0.00 178.44 178.98 3hh1 h LEU 79 N 0.69 0.77 -1.38 2.25 3.38 -0.95 -2.03 115.31 118.04 3hh1 h LEU 79 Ca 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3hh1 h LEU 79 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3hh1 h LEU 79 CO -0.01 0.70 -0.03 -0.33 0.09 0.00 0.00 178.44 178.87 3hh1 h GLU 80 N 0.79 0.37 0.00 1.13 4.39 -0.82 0.05 114.58 120.50 3hh1 h GLU 80 Ca 0.20 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3hh1 h GLU 80 Cb 0.15 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 3hh1 h GLU 80 CO -0.02 0.42 0.00 0.39 -1.16 0.00 0.00 179.01 178.64 3hh1 n GLU 81 N -4.31 0.86 -0.53 2.33 -0.58 -0.54 -4.83 120.64 113.04 3hh1 n GLU 81 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hh1 n GLU 81 Cb 0.23 -1.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 3hh1 n GLU 81 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hh1 n GLY 82 N 0.58 0.71 3.81 0.62 0.00 -0.38 -4.95 105.19 105.59 3hh1 n GLY 82 Ca 0.13 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 3hh1 n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hh1 s SER 83 N -2.22 6.31 0.64 1.61 0.15 -0.80 -4.30 113.70 115.08 3hh1 s SER 83 Ca 0.00 0.36 -0.16 0.00 0.70 0.00 0.00 55.95 56.85 3hh1 s SER 83 Cb 0.00 -2.08 -0.01 0.00 -1.71 0.00 0.00 66.02 62.22 3hh1 s SER 83 CO 0.00 0.30 1.14 -1.81 1.20 0.00 0.00 173.24 174.06 3hh1 s ASP 84 N -0.36 5.10 0.00 5.45 1.01 -1.26 -3.78 116.67 122.83 3hh1 s ASP 84 Ca 0.12 2.12 0.03 0.00 0.71 0.00 0.00 52.55 55.52 3hh1 s ASP 84 Cb -0.12 -2.57 -0.01 0.00 1.01 0.00 0.00 42.92 41.24 3hh1 s ASP 84 CO 0.01 -1.64 -0.09 -0.69 0.21 0.00 0.00 175.17 172.97 3hh1 s VAL 85 N -2.12 0.70 -0.21 -1.27 1.01 -0.62 -1.41 120.40 116.48 3hh1 s VAL 85 Ca 0.70 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.14 3hh1 s VAL 85 Cb -0.23 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.52 3hh1 s VAL 85 CO 0.38 0.12 -0.01 0.00 0.00 0.00 0.00 175.10 175.59 3hh1 s ALA 86 N -0.38 2.96 -0.23 5.51 0.00 -0.54 -0.65 121.76 128.44 3hh1 s ALA 86 Ca 0.02 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 50.78 3hh1 s ALA 86 Cb -0.04 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 3hh1 s ALA 86 CO -0.00 -0.27 0.30 -1.17 0.00 0.00 0.00 175.76 174.63 3hh1 s LEU 87 N 1.20 4.12 -0.28 0.00 2.96 0.71 -0.14 118.68 127.26 3hh1 s LEU 87 Ca 0.03 0.33 -0.10 0.00 -0.22 0.00 0.00 54.13 54.17 3hh1 s LEU 87 Cb -0.15 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 3hh1 s LEU 87 CO 0.01 -0.03 0.16 -0.69 -1.32 0.00 0.00 176.35 174.47 3hh1 s VAL 88 N 1.31 5.05 0.35 1.68 1.01 -0.53 -0.82 120.40 128.44 3hh1 s VAL 88 Ca 0.14 0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.27 3hh1 s VAL 88 Cb -0.14 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.77 3hh1 s VAL 88 CO 0.07 0.26 -0.09 0.42 0.00 0.00 0.00 175.10 175.76 3hh1 s THR 89 N 1.72 2.24 0.23 3.92 -4.23 -0.73 -4.50 115.64 114.29 3hh1 s THR 89 Ca 0.07 -2.20 -0.30 0.00 -1.18 0.00 0.00 61.69 58.08 3hh1 s THR 89 Cb -0.16 -2.66 -0.09 0.00 1.34 0.00 0.00 72.50 70.94 3hh1 s THR 89 CO 0.09 -0.20 1.08 -1.81 -0.54 0.00 0.00 174.62 173.24 3hh1 s ASP 90 N -3.61 7.32 0.33 3.99 1.01 -1.26 -1.13 116.67 123.31 3hh1 s ASP 90 Ca 0.33 2.14 0.03 0.00 0.71 0.00 0.00 52.55 55.76 3hh1 s ASP 90 Cb 0.03 -2.61 0.57 0.00 1.01 0.00 0.00 42.92 41.91 3hh1 s ASP 90 CO 0.17 -0.14 1.87 0.00 0.21 0.00 0.00 175.17 177.28 3hh1 h ALA 91 N 4.46 1.35 0.00 5.23 0.00 -0.88 -3.24 119.26 126.19 3hh1 h ALA 91 Ca -0.45 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3hh1 h ALA 91 Cb 1.21 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3hh1 h ALA 91 CO 0.70 0.46 -0.12 0.41 0.00 0.00 0.00 179.25 180.70 3hh1 n GLY 92 N -0.91 -1.51 3.40 0.00 0.00 -1.26 -4.85 105.19 100.06 3hh1 n GLY 92 Ca 0.02 -0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 3hh1 n GLY 92 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hh1 s THR 93 N -3.04 2.20 0.33 2.61 -4.23 -1.22 -5.10 115.64 107.18 3hh1 s THR 93 Ca 0.12 -2.01 -0.29 0.00 -1.18 0.00 0.00 61.69 58.33 3hh1 s THR 93 Cb 0.17 -2.04 -0.12 0.00 1.34 0.00 0.00 72.50 71.85 3hh1 s THR 93 CO 0.58 -0.19 1.46 -2.65 -0.54 0.00 0.00 174.62 173.28 3hh1 n PRO 94 N 0.24 2.46 -0.17 3.99 -0.02 -1.26 -4.83 135.00 135.42 3hh1 n PRO 94 Ca -0.12 0.87 -0.04 0.00 -2.02 0.00 0.00 63.50 62.19 3hh1 n PRO 94 Cb 0.56 -2.57 0.16 0.00 -0.02 0.00 0.00 33.50 31.64 3hh1 n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hh1 h ALA 95 N 3.50 1.17 0.00 3.55 0.00 -1.96 -2.07 119.26 123.45 3hh1 h ALA 95 Ca -0.48 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3hh1 h ALA 95 Cb 1.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hh1 h ALA 95 CO 0.69 0.57 0.00 0.44 0.00 0.00 0.00 179.25 180.95 3hh1 n ILE 96 N -4.28 1.12 0.69 0.00 -5.35 -1.26 -1.39 119.36 108.90 3hh1 n ILE 96 Ca 0.05 0.38 0.12 0.00 -0.27 0.00 0.00 62.75 63.02 3hh1 n ILE 96 Cb 0.22 -1.29 0.14 0.00 -1.74 0.00 0.00 39.64 36.97 3hh1 n ILE 96 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3hh1 n SER 97 N -1.90 3.12 -4.72 7.28 3.41 -0.78 -4.90 113.62 115.14 3hh1 n SER 97 Ca 0.01 -1.97 -0.42 0.00 -0.26 0.00 0.00 58.87 56.24 3hh1 n SER 97 Cb 0.13 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 3hh1 n SER 97 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hh1 s ASP 98 N -1.73 7.35 0.56 4.04 -1.08 -0.49 -4.94 116.67 120.37 3hh1 s ASP 98 Ca 0.31 1.76 0.25 0.00 -0.52 0.00 0.00 52.55 54.35 3hh1 s ASP 98 Cb 0.20 -2.58 1.55 0.00 -1.46 0.00 0.00 42.92 40.64 3hh1 s ASP 98 CO 0.30 -0.25 2.14 -0.65 0.52 0.00 0.00 175.17 177.23 3hh1 h PRO 99 N 6.48 0.00 0.00 4.34 0.11 -1.91 -0.51 132.00 140.51 3hh1 h PRO 99 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3hh1 h PRO 99 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hh1 h PRO 99 CO 0.75 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.95 3hh1 n GLY 100 N -1.46 -1.09 0.33 -0.55 0.00 -1.26 -2.70 105.19 98.47 3hh1 n GLY 100 Ca -0.00 0.06 0.21 0.00 0.00 0.00 0.00 46.02 46.28 3hh1 n GLY 100 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hh1 h TYR 101 N 0.00 0.00 0.00 1.61 3.20 -1.32 -3.33 116.97 117.13 3hh1 h TYR 101 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3hh1 h TYR 101 Cb 0.26 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.53 3hh1 h TYR 101 CO 0.00 0.00 0.00 2.41 -1.64 0.00 0.00 178.16 178.93 3hh1 n THR 102 N -3.22 0.00 0.00 1.81 -1.04 -1.10 -1.19 114.28 109.55 3hh1 n THR 102 Ca -0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3hh1 n THR 102 Cb 0.11 -0.36 0.00 0.00 -1.82 0.00 0.00 70.33 68.26 3hh1 n THR 102 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hh1 n ALA 104 N 0.92 0.00 -0.29 2.41 0.00 -1.25 -1.07 120.51 121.23 3hh1 n ALA 104 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 3hh1 n ALA 104 Cb 0.00 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.52 3hh1 n ALA 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hh1 h SER 105 N 0.00 1.10 -0.62 0.00 0.87 -1.50 -1.45 113.55 111.96 3hh1 h SER 105 Ca 0.00 -0.17 -0.03 0.00 -1.23 0.00 0.00 61.79 60.36 3hh1 h SER 105 Cb 0.00 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 3hh1 h SER 105 CO 0.00 0.97 0.26 0.00 -0.53 0.00 0.00 176.83 177.53 3hh1 h ALA 106 N 1.19 0.80 -0.48 6.23 0.00 -1.35 -0.49 119.26 125.16 3hh1 h ALA 106 Ca 0.27 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3hh1 h ALA 106 Cb 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hh1 h ALA 106 CO -0.02 0.41 0.31 0.00 0.00 0.00 0.00 179.25 179.94 3hh1 h ALA 107 N 1.10 0.61 -0.66 0.00 0.00 -1.77 -0.98 119.26 117.56 3hh1 h ALA 107 Ca 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hh1 h ALA 107 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3hh1 h ALA 107 CO -0.02 0.03 0.43 1.25 0.00 0.00 0.00 179.25 180.94 3hh1 h HIS 108 N 0.63 0.81 -0.24 0.00 6.17 -1.02 -0.18 115.15 121.32 3hh1 h HIS 108 Ca 0.18 0.02 0.02 0.00 0.71 0.00 0.00 60.37 61.30 3hh1 h HIS 108 Cb -0.05 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 29.60 3hh1 h HIS 108 CO -0.05 0.50 0.16 0.00 0.71 0.00 0.00 177.93 179.25 3hh1 h ALA 109 N 1.25 1.92 -0.12 5.26 0.00 -0.49 -0.86 119.26 126.23 3hh1 h ALA 109 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3hh1 h ALA 109 Cb -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.65 3hh1 h ALA 109 CO -0.06 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3hh1 n ALA 110 N -2.52 2.54 -1.76 0.00 0.00 -0.43 -4.92 120.51 113.43 3hh1 n ALA 110 Ca 0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 53.44 53.00 3hh1 n ALA 110 Cb 0.13 -1.14 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 3hh1 n ALA 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hh1 n GLY 111 N 1.01 0.41 3.80 0.00 0.00 -0.33 -5.03 105.19 105.04 3hh1 n GLY 111 Ca 0.15 -0.67 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 3hh1 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hh1 s LEU 112 N -1.72 3.96 0.22 0.99 1.43 -0.14 -5.02 118.68 118.40 3hh1 s LEU 112 Ca 0.00 0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 52.98 3hh1 s LEU 112 Cb 0.00 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.85 3hh1 s LEU 112 CO 0.00 0.28 1.26 -2.16 0.23 0.00 0.00 176.35 175.96 3hh1 s PRO 113 N -1.70 4.43 -0.15 1.29 0.04 -1.26 -4.00 135.00 133.65 3hh1 s PRO 113 Ca 0.23 2.00 0.00 0.00 0.04 0.00 0.00 61.00 63.27 3hh1 s PRO 113 Cb -0.12 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.25 3hh1 s PRO 113 CO 0.14 -0.17 -0.13 0.08 0.04 0.00 0.00 177.00 176.96 3hh1 s VAL 114 N -0.16 1.53 -0.10 -0.36 1.01 -1.26 -1.21 120.40 119.85 3hh1 s VAL 114 Ca 0.54 -0.66 0.01 0.00 0.00 0.00 0.00 61.98 61.87 3hh1 s VAL 114 Cb -0.35 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.57 3hh1 s VAL 114 CO 0.40 0.40 -0.11 -0.69 0.00 0.00 0.00 175.10 175.10 3hh1 s VAL 115 N 1.50 1.21 0.32 2.92 1.01 0.08 -4.99 120.40 122.45 3hh1 s VAL 115 Ca 0.04 -0.46 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 3hh1 s VAL 115 Cb -0.13 -1.15 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 3hh1 s VAL 115 CO -0.10 0.39 1.02 -2.16 0.00 0.00 0.00 175.10 174.25 3hh1 s PRO 116 N 1.18 4.53 -0.35 2.72 0.04 -1.26 -0.75 135.00 141.11 3hh1 s PRO 116 Ca -0.04 1.56 -0.01 0.00 0.04 0.00 0.00 61.00 62.55 3hh1 s PRO 116 Cb -0.14 -2.93 0.09 0.00 0.04 0.00 0.00 34.50 31.55 3hh1 s PRO 116 CO -0.03 0.18 0.09 0.08 0.04 0.00 0.00 177.00 177.36 3hh1 s VAL 117 N -1.41 2.93 -1.25 -0.36 1.01 0.10 -4.85 120.40 116.57 3hh1 s VAL 117 Ca 0.49 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.59 3hh1 s VAL 117 Cb -0.25 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.21 3hh1 s VAL 117 CO 0.32 -0.45 0.31 -2.65 0.00 0.00 0.00 175.10 172.63