#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hg9 s LEU 9 N 0.00 2.12 0.04 -1.84 2.34 -1.26 -5.15 118.68 114.94 3hg9 s LEU 9 Ca 0.00 -0.26 0.07 0.00 0.06 0.00 0.00 54.13 54.00 3hg9 s LEU 9 Cb 0.00 -0.05 -0.03 0.00 -0.56 0.00 0.00 46.19 45.55 3hg9 s LEU 9 CO 0.00 -0.11 -0.18 0.00 -1.06 0.00 0.00 176.35 174.99 3hg9 s ALA 10 N -0.70 2.58 -0.37 1.48 0.00 -1.26 -5.02 121.76 118.46 3hg9 s ALA 10 Ca -0.06 -1.20 0.05 0.00 0.00 0.00 0.00 51.96 50.75 3hg9 s ALA 10 Cb -0.05 -0.72 0.45 0.00 0.00 0.00 0.00 23.12 22.80 3hg9 s ALA 10 CO -0.00 0.57 1.30 0.39 0.00 0.00 0.00 175.76 178.02 3hg9 n GLU 11 N 1.53 3.46 0.00 0.00 -0.58 -1.26 -4.50 120.64 119.28 3hg9 n GLU 11 Ca -0.16 -4.11 0.00 0.00 -0.42 0.00 0.00 57.16 52.47 3hg9 n GLU 11 Cb 0.52 -2.28 0.00 0.00 -0.57 0.00 0.00 31.44 29.12 3hg9 n GLU 11 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 3hg9 n VAL 12 N -0.69 0.23 0.11 2.62 0.24 -1.26 0.13 118.33 119.72 3hg9 n VAL 12 Ca 0.46 0.46 -0.03 0.00 -2.04 0.00 0.00 64.34 63.19 3hg9 n VAL 12 Cb 0.86 -1.46 0.08 0.00 -1.47 0.00 0.00 33.84 31.85 3hg9 n VAL 12 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3hg9 h ASP 13 N 0.00 0.02 -0.06 -1.34 3.32 -1.92 0.24 116.42 116.69 3hg9 h ASP 13 Ca 0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 3hg9 h ASP 13 Cb 0.81 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 3hg9 h ASP 13 CO 0.00 0.74 -0.05 0.74 -1.72 0.00 0.00 179.24 178.95 3hg9 h THR 14 N 0.01 1.37 -0.90 0.35 2.02 0.75 -2.08 112.91 114.42 3hg9 h THR 14 Ca -0.01 -1.18 0.04 0.00 0.77 0.00 0.00 66.41 66.02 3hg9 h THR 14 Cb 1.29 2.04 -0.05 0.00 -1.74 0.00 0.00 68.15 69.69 3hg9 h THR 14 CO 0.10 0.32 0.59 0.25 0.37 0.00 0.00 175.52 177.15 3hg9 h LEU 15 N -0.30 0.97 -0.14 2.58 5.85 -1.47 -0.27 115.31 122.53 3hg9 h LEU 15 Ca 0.01 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 3hg9 h LEU 15 Cb 0.55 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 3hg9 h LEU 15 CO 0.01 0.66 -0.01 0.00 -0.34 0.00 0.00 178.44 178.76 3hg9 h ALA 16 N 1.48 0.19 -0.74 1.25 0.00 -0.53 -0.85 119.26 120.05 3hg9 h ALA 16 Ca 0.36 -0.21 0.17 0.00 0.00 0.00 0.00 54.91 55.23 3hg9 h ALA 16 Cb 0.03 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 17.66 3hg9 h ALA 16 CO -0.11 -0.10 0.14 0.00 0.00 0.00 0.00 179.25 179.19 3hg9 h ARG 17 N -0.03 0.22 -0.06 0.00 3.08 -1.21 -0.03 114.38 116.34 3hg9 h ARG 17 Ca 0.04 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3hg9 h ARG 17 Cb 0.40 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 3hg9 h ARG 17 CO 0.01 0.15 0.03 0.77 -1.07 0.00 0.00 179.97 179.85 3hg9 h SER 18 N 0.23 0.09 -0.57 7.04 0.02 -0.84 0.63 113.55 120.15 3hg9 h SER 18 Ca 0.42 -0.16 0.10 0.00 -0.84 0.00 0.00 61.79 61.31 3hg9 h SER 18 Cb 0.74 -0.02 -0.11 0.00 0.14 0.00 0.00 62.40 63.14 3hg9 h SER 18 CO -0.55 0.22 -0.35 0.25 -1.14 0.00 0.00 176.83 175.26 3hg9 h LEU 19 N -0.05 -1.22 -0.95 5.07 6.46 -0.87 0.27 115.31 124.01 3hg9 h LEU 19 Ca 0.02 0.23 -0.02 0.00 -0.12 0.00 0.00 57.88 57.99 3hg9 h LEU 19 Cb 0.16 0.59 -0.04 0.00 -0.73 0.00 0.00 40.66 40.64 3hg9 h LEU 19 CO -0.00 -0.31 0.47 -0.07 -0.62 0.00 0.00 178.44 177.91 3hg9 h LEU 20 N -0.18 1.09 -0.75 2.25 3.38 -0.47 0.23 115.31 120.85 3hg9 h LEU 20 Ca 0.22 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3hg9 h LEU 20 Cb 0.55 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hg9 h LEU 20 CO -0.67 0.88 0.05 0.25 0.09 0.00 0.00 178.44 179.04 3hg9 h LEU 21 N 1.22 0.97 -0.16 1.67 6.46 -0.17 -1.73 115.31 123.57 3hg9 h LEU 21 Ca 0.31 -0.24 -0.06 0.00 -0.12 0.00 0.00 57.88 57.76 3hg9 h LEU 21 Cb 0.03 -0.26 -0.00 0.00 -0.73 0.00 0.00 40.66 39.70 3hg9 h LEU 21 CO -0.05 0.99 -0.15 0.22 -0.62 0.00 0.00 178.44 178.83 3hg9 h TYR 22 N 0.93 0.46 -0.84 1.25 3.20 0.97 -2.97 116.97 119.97 3hg9 h TYR 22 Ca 0.18 -0.14 0.21 0.00 3.14 0.00 0.00 58.73 62.12 3hg9 h TYR 22 Cb 0.47 -0.10 -0.15 0.00 1.54 0.00 0.00 36.73 38.50 3hg9 h TYR 22 CO 0.03 0.76 0.07 -0.09 -1.64 0.00 0.00 178.16 177.29 3hg9 h ARG 23 N 0.03 0.11 -0.07 1.82 2.43 -0.42 -0.82 114.38 117.46 3hg9 h ARG 23 Ca 0.03 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.07 3hg9 h ARG 23 Cb 0.68 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3hg9 h ARG 23 CO 0.04 0.07 -0.51 0.77 -1.51 0.00 0.00 179.97 178.83 3hg9 h SER 24 N 0.11 0.19 -0.75 -3.80 0.02 -1.16 0.28 113.55 108.45 3hg9 h SER 24 Ca 0.49 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 61.33 3hg9 h SER 24 Cb 0.93 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.37 3hg9 h SER 24 CO -0.72 0.67 0.42 0.03 -1.14 0.00 0.00 176.83 176.10 3hg9 h ARG 25 N 0.14 1.06 -0.04 3.45 2.47 -1.09 -2.10 114.38 118.27 3hg9 h ARG 25 Ca 0.00 -0.12 -0.01 0.00 -1.26 0.00 0.00 59.98 58.60 3hg9 h ARG 25 Cb 0.95 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 29.06 3hg9 h ARG 25 CO 0.08 0.78 0.01 -0.07 0.56 0.00 0.00 179.97 181.32 3hg9 h LEU 26 N 1.07 0.06 -0.86 3.04 3.38 -0.88 -2.85 115.31 118.27 3hg9 h LEU 26 Ca 0.27 -0.27 0.21 0.00 0.09 0.00 0.00 57.88 58.18 3hg9 h LEU 26 Cb 0.02 -0.02 -0.16 0.00 0.09 0.00 0.00 40.66 40.60 3hg9 h LEU 26 CO -0.04 0.32 -0.03 0.00 0.09 0.00 0.00 178.44 178.77 3hg9 h ALA 27 N 0.75 0.87 0.01 1.53 0.00 0.04 0.18 119.26 122.63 3hg9 h ALA 27 Ca 0.01 0.30 -0.32 0.00 0.00 0.00 0.00 54.91 54.90 3hg9 h ALA 27 Cb 0.28 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3hg9 h ALA 27 CO 0.00 -0.46 -1.94 0.39 0.00 0.00 0.00 179.25 177.24 3hg9 n GLU 28 N -5.44 0.65 -0.10 0.00 1.02 -0.84 -2.74 120.64 113.20 3hg9 n GLU 28 Ca 0.17 0.20 -0.09 0.00 -0.02 0.00 0.00 57.16 57.41 3hg9 n GLU 28 Cb 0.56 -1.70 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 3hg9 n GLU 28 CO 0.00 0.00 0.00 -0.92 1.18 0.00 0.00 177.13 177.39 3hg9 h TYR 29 N 0.00 0.45 -0.72 -0.32 5.03 -1.27 -1.95 116.97 118.19 3hg9 h TYR 29 Ca -0.38 -0.02 0.13 0.00 2.58 0.00 0.00 58.73 61.04 3hg9 h TYR 29 Cb 2.09 -0.14 -0.13 0.00 1.55 0.00 0.00 36.73 40.09 3hg9 h TYR 29 CO 0.00 0.40 -0.31 0.00 -1.32 0.00 0.00 178.16 176.93 3hg9 h ALA 30 N 1.01 0.14 -2.05 1.82 0.00 -0.47 -1.99 119.26 117.71 3hg9 h ALA 30 Ca 0.11 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3hg9 h ALA 30 Cb 0.11 0.79 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3hg9 h ALA 30 CO -0.01 -0.60 0.00 1.58 0.00 0.00 0.00 179.25 180.22 3hg9 n HIS 31 N -5.46 0.00 -0.03 0.00 -0.00 -1.11 -3.48 115.22 105.14 3hg9 n HIS 31 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 3hg9 n HIS 31 Cb 0.38 -0.16 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 3hg9 n HIS 31 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hg9 n ALA 32 N -1.23 0.94 0.00 1.57 0.00 -0.74 -2.42 120.51 118.63 3hg9 n ALA 32 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hg9 n ALA 32 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 3hg9 n ALA 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3hg9 n ASN 33 N 4.69 0.00 -4.76 0.00 3.02 -0.92 -4.74 115.26 112.54 3hg9 n ASN 33 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3hg9 n ASN 33 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 3hg9 n ASN 33 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3hg9 s PRO 34 N 0.00 4.45 0.00 3.52 0.02 -1.02 -4.32 135.00 137.65 3hg9 s PRO 34 Ca 0.00 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.10 3hg9 s PRO 34 Cb 0.00 -3.11 0.00 0.00 0.02 0.00 0.00 34.50 31.41 3hg9 s PRO 34 CO 0.00 -0.06 0.00 0.41 -0.33 0.00 0.00 177.00 177.02 3hg9 n GLY 35 N 0.98 -1.76 3.59 0.52 0.00 -1.26 -5.13 105.19 102.13 3hg9 n GLY 35 Ca -0.00 -0.24 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 3hg9 n GLY 35 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3hg9 s PHE 36 N -0.38 -0.54 -0.53 1.61 5.99 -1.26 -5.09 117.98 117.78 3hg9 s PHE 36 Ca 0.00 1.14 0.07 0.00 0.00 0.00 0.00 56.93 58.14 3hg9 s PHE 36 Cb 0.00 0.38 0.27 0.00 0.00 0.00 0.00 43.02 43.67 3hg9 s PHE 36 CO 0.00 -0.37 0.70 0.43 -0.00 0.00 0.00 175.22 175.99 3hg9 n SER 37 N 1.59 2.50 -0.13 6.13 7.64 -1.26 -4.48 113.62 125.60 3hg9 n SER 37 Ca -0.13 -3.21 0.00 0.00 1.01 0.00 0.00 58.87 56.54 3hg9 n SER 37 Cb 0.57 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3hg9 n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hg9 n GLY 38 N 0.82 0.50 2.63 0.23 0.00 -1.23 -4.56 105.19 103.57 3hg9 n GLY 38 Ca 0.27 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 3hg9 n GLY 38 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hg9 n SER 39 N -3.36 3.15 -4.68 1.61 2.88 -1.26 -4.91 113.62 107.04 3hg9 n SER 39 Ca 0.00 -3.28 -0.40 0.00 -1.33 0.00 0.00 58.87 53.86 3hg9 n SER 39 Cb 0.00 -0.71 0.02 0.00 -0.75 0.00 0.00 64.21 62.78 3hg9 n SER 39 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3hg9 n PRO 40 N 1.44 1.66 -2.51 -1.46 -0.04 -1.26 -4.95 135.00 127.87 3hg9 n PRO 40 Ca 0.25 0.60 -0.37 0.00 -0.04 0.00 0.00 63.50 63.94 3hg9 n PRO 40 Cb 0.39 -2.32 -0.04 0.00 -0.04 0.00 0.00 33.50 31.49 3hg9 n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hg9 s ALA 41 N -1.26 3.15 -1.52 0.55 0.00 -1.26 -4.92 121.76 116.49 3hg9 s ALA 41 Ca 0.65 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3hg9 s ALA 41 Cb -0.49 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.34 3hg9 s ALA 41 CO 0.55 -0.23 0.59 -0.25 0.00 0.00 0.00 175.76 176.43 3hg9 n ASP 42 N 0.18 0.00 0.01 0.00 8.00 -1.26 -1.49 116.55 121.99 3hg9 n ASP 42 Ca 0.04 0.13 -0.18 0.00 0.71 0.00 0.00 54.79 55.49 3hg9 n ASP 42 Cb 0.48 -0.13 -0.12 0.00 -0.02 0.00 0.00 41.12 41.33 3hg9 n ASP 42 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3hg9 h SER 43 N 0.00 0.43 0.00 -2.24 0.02 -1.99 -3.29 113.55 106.48 3hg9 h SER 43 Ca 0.00 -0.85 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 3hg9 h SER 43 Cb 0.03 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3hg9 h SER 43 CO 0.00 1.23 0.00 0.00 -1.14 0.00 0.00 176.83 176.92 3hg9 n ALA 44 N -2.61 0.00 0.00 3.77 0.00 -0.56 -3.63 120.51 117.49 3hg9 n ALA 44 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3hg9 n ALA 44 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.14 3hg9 n ALA 44 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hg9 n LEU 45 N 0.00 0.00 -0.12 0.00 4.32 -1.26 -4.12 117.00 115.82 3hg9 n LEU 45 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3hg9 n LEU 45 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 3hg9 n LEU 45 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 3hg9 n GLY 46 N 0.00 0.91 3.69 -0.72 0.00 -1.24 -4.93 105.19 102.90 3hg9 n GLY 46 Ca 0.00 -0.56 -0.31 0.00 0.00 0.00 0.00 46.02 45.15 3hg9 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hg9 s LEU 47 N -0.25 2.88 0.65 0.99 1.43 -1.25 -4.94 118.68 118.19 3hg9 s LEU 47 Ca 0.00 2.13 -0.18 0.00 -1.03 0.00 0.00 54.13 55.05 3hg9 s LEU 47 Cb 0.00 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.65 3hg9 s LEU 47 CO 0.00 -2.93 1.18 -2.65 0.23 0.00 0.00 176.35 172.19 3hg9 n PRO 48 N -4.12 0.97 0.02 1.29 -0.01 -1.26 -4.93 135.00 126.97 3hg9 n PRO 48 Ca 0.11 0.39 -0.15 0.00 -0.01 0.00 0.00 63.50 63.84 3hg9 n PRO 48 Cb 0.52 -2.42 -0.09 0.00 -0.01 0.00 0.00 33.50 31.50 3hg9 n PRO 48 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 3hg9 h ALA 49 N 0.39 -0.90 -0.08 3.55 0.00 -2.03 -2.59 119.26 117.59 3hg9 h ALA 49 Ca -0.50 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 3hg9 h ALA 49 Cb 1.35 0.96 -0.01 0.00 0.00 0.00 0.00 17.79 20.09 3hg9 h ALA 49 CO 0.52 -1.07 -0.03 0.11 0.00 0.00 0.00 179.25 178.77 3hg9 h TRP 50 N -0.60 0.11 -2.59 0.00 5.08 -2.04 -3.43 115.95 112.48 3hg9 h TRP 50 Ca 0.02 -0.00 -0.54 0.00 1.08 0.00 0.00 58.89 59.44 3hg9 h TRP 50 Cb 0.67 -0.03 -0.00 0.00 -3.00 0.00 0.00 29.16 26.79 3hg9 h TRP 50 CO -0.54 0.15 1.10 0.12 -1.28 0.00 0.00 178.44 177.98 3hg9 s PHE 51 N -4.96 1.93 -0.58 0.12 5.36 -0.98 -4.96 117.98 113.91 3hg9 s PHE 51 Ca -0.05 0.13 -0.06 0.00 -0.96 0.00 0.00 56.93 55.99 3hg9 s PHE 51 Cb 0.16 -3.95 0.15 0.00 -0.34 0.00 0.00 43.02 39.04 3hg9 s PHE 51 CO 0.70 -4.03 0.42 1.03 -1.46 0.00 0.00 175.22 171.87 3hg9 s ARG 52 N 3.98 2.58 0.37 10.12 1.81 -1.26 -4.83 118.95 131.72 3hg9 s ARG 52 Ca 0.75 -2.24 -0.28 0.00 -1.72 0.00 0.00 55.73 52.24 3hg9 s ARG 52 Cb -0.35 -3.83 -0.11 0.00 -0.45 0.00 0.00 34.95 30.21 3hg9 s ARG 52 CO 0.31 -1.18 1.39 1.17 -0.68 0.00 0.00 175.30 176.31 3hg9 n LYS 53 N 4.03 2.38 -3.29 3.54 0.00 -1.26 -4.92 118.16 118.64 3hg9 n LYS 53 Ca 0.04 0.84 -0.45 0.00 0.00 0.00 0.00 58.31 58.74 3hg9 n LYS 53 Cb 0.40 -2.50 -0.06 0.00 0.00 0.00 0.00 35.03 32.87 3hg9 n LYS 53 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 3hg9 s PRO 54 N -2.02 3.02 0.27 1.64 0.04 -1.26 -5.03 135.00 131.66 3hg9 s PRO 54 Ca 0.55 -1.34 -0.31 0.00 0.04 0.00 0.00 61.00 59.94 3hg9 s PRO 54 Cb -0.52 -4.18 -0.12 0.00 0.04 0.00 0.00 34.50 29.72 3hg9 s PRO 54 CO 0.63 -1.21 1.60 0.28 0.04 0.00 0.00 177.00 178.34 3hg9 n VAL 55 N 5.34 0.81 -0.57 -0.36 0.31 -1.26 0.11 118.33 122.71 3hg9 n VAL 55 Ca -0.11 -0.20 0.07 0.00 -0.01 0.00 0.00 64.34 64.08 3hg9 n VAL 55 Cb 0.43 -1.90 0.34 0.00 -0.91 0.00 0.00 33.84 31.80 3hg9 n VAL 55 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 3hg9 n ARG 56 N 2.48 4.18 -1.73 5.55 -4.01 -1.26 -5.11 116.66 116.76 3hg9 n ARG 56 Ca 0.10 -2.69 -0.40 0.00 -1.04 0.00 0.00 57.85 53.83 3hg9 n ARG 56 Cb 0.36 -2.09 -0.03 0.00 -3.04 0.00 0.00 32.46 27.65 3hg9 n ARG 56 CO 0.00 0.00 0.00 -1.17 -3.04 0.00 0.00 177.63 173.42 3hg9 s LEU 57 N -2.23 3.41 0.18 2.89 0.20 0.12 -3.88 118.68 119.36 3hg9 s LEU 57 Ca 0.47 1.23 0.10 0.00 0.69 0.00 0.00 54.13 56.62 3hg9 s LEU 57 Cb 0.35 -2.98 -0.04 0.00 -0.43 0.00 0.00 46.19 43.09 3hg9 s LEU 57 CO 0.16 -2.33 -0.18 -1.10 -0.29 0.00 0.00 176.35 172.60 3hg9 s GLN 58 N 7.06 1.74 0.09 1.98 -0.21 -0.39 -4.90 119.66 125.03 3hg9 s GLN 58 Ca 0.90 -1.38 -0.00 0.00 0.02 0.00 0.00 55.36 54.90 3hg9 s GLN 58 Cb -0.22 -1.99 -0.04 0.00 1.00 0.00 0.00 33.01 31.76 3hg9 s GLN 58 CO 0.29 0.42 -0.02 0.20 -2.12 0.00 0.00 175.29 174.07 3hg9 s GLY 59 N -2.63 0.72 0.21 3.09 0.00 -1.26 0.99 107.32 108.44 3hg9 s GLY 59 Ca 0.22 -1.33 -0.10 0.00 0.00 0.00 0.00 44.72 43.50 3hg9 s GLY 59 CO 0.12 -1.38 0.36 -0.47 0.00 0.00 0.00 173.10 171.72 3hg9 s TYR 60 N -3.84 0.48 0.06 1.90 5.04 0.13 -4.76 117.35 116.36 3hg9 s TYR 60 Ca 0.13 -0.82 0.02 0.00 -2.44 0.00 0.00 57.07 53.96 3hg9 s TYR 60 Cb 0.07 -0.00 -0.03 0.00 0.35 0.00 0.00 41.96 42.35 3hg9 s TYR 60 CO -0.05 -0.84 -0.07 0.42 -1.34 0.00 0.00 175.55 173.67 3hg9 s ILE 61 N -4.02 0.55 -0.28 3.14 1.01 -1.26 -1.70 121.20 118.64 3hg9 s ILE 61 Ca 0.23 -1.34 -0.16 0.00 0.00 0.00 0.00 60.65 59.37 3hg9 s ILE 61 Cb 0.02 -0.93 0.11 0.00 0.01 0.00 0.00 42.46 41.67 3hg9 s ILE 61 CO 0.06 -0.55 0.80 0.00 0.00 0.00 0.00 174.94 175.25 3hg9 s ALA 62 N -2.12 -2.03 0.09 9.38 0.00 -0.44 -3.55 121.76 123.09 3hg9 s ALA 62 Ca -0.04 2.33 0.00 0.00 0.00 0.00 0.00 51.96 54.25 3hg9 s ALA 62 Cb -0.05 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.54 3hg9 s ALA 62 CO -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 175.76 175.38 3hg9 n ALA 63 N 4.01 -1.28 0.67 0.00 0.00 -1.26 -2.73 120.51 119.92 3hg9 n ALA 63 Ca -0.19 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.37 3hg9 n ALA 63 Cb 0.58 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3hg9 n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hg9 n GLY 64 N -1.23 1.12 3.84 0.00 0.00 -1.26 -4.82 105.19 102.84 3hg9 n GLY 64 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3hg9 n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hg9 s THR 65 N -0.56 5.10 0.17 2.61 -4.23 -1.11 -4.70 115.64 112.93 3hg9 s THR 65 Ca 0.00 -0.22 0.09 0.00 -1.18 0.00 0.00 61.69 60.38 3hg9 s THR 65 Cb 0.00 -3.34 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 3hg9 s THR 65 CO 0.00 0.38 -0.20 -0.94 -0.54 0.00 0.00 174.62 173.32 3hg9 s SER 66 N -1.70 2.90 0.03 3.99 1.04 -1.26 -1.33 113.70 117.36 3hg9 s SER 66 Ca 0.23 -0.85 0.07 0.00 0.48 0.00 0.00 55.95 55.88 3hg9 s SER 66 Cb -0.12 -0.19 -0.02 0.00 0.10 0.00 0.00 66.02 65.79 3hg9 s SER 66 CO 0.14 0.02 -0.20 -0.31 0.98 0.00 0.00 173.24 173.87 3hg9 s TYR 67 N -1.88 1.75 -0.07 5.02 4.12 -0.69 -4.97 117.35 120.63 3hg9 s TYR 67 Ca 0.17 -0.36 0.05 0.00 0.02 0.00 0.00 57.07 56.94 3hg9 s TYR 67 Cb -0.07 -1.06 -0.00 0.00 -1.52 0.00 0.00 41.96 39.31 3hg9 s TYR 67 CO 0.07 0.06 -0.21 0.00 0.02 0.00 0.00 175.55 175.49 3hg9 s ALA 68 N -0.73 1.89 -0.09 3.71 0.00 -1.26 -0.69 121.76 124.59 3hg9 s ALA 68 Ca 0.07 -0.86 -0.07 0.00 0.00 0.00 0.00 51.96 51.10 3hg9 s ALA 68 Cb -0.08 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.41 3hg9 s ALA 68 CO 0.01 0.31 0.23 -0.59 0.00 0.00 0.00 175.76 175.72 3hg9 s PHE 69 N 0.14 -0.27 -0.43 0.00 -0.12 0.28 -4.95 117.98 112.63 3hg9 s PHE 69 Ca -0.10 0.66 -0.20 0.00 -0.05 0.00 0.00 56.93 57.24 3hg9 s PHE 69 Cb -0.15 0.07 0.02 0.00 -0.63 0.00 0.00 43.02 42.33 3hg9 s PHE 69 CO 0.05 -0.15 0.61 0.42 -0.05 0.00 0.00 175.22 176.10 3hg9 s ILE 70 N 0.47 4.87 0.33 -4.49 1.09 -1.26 -1.26 121.20 120.95 3hg9 s ILE 70 Ca -0.03 0.10 0.07 0.00 -1.10 0.00 0.00 60.65 59.70 3hg9 s ILE 70 Cb -0.04 -4.17 0.31 0.00 -1.06 0.00 0.00 42.46 37.50 3hg9 s ILE 70 CO -0.02 -0.54 1.81 0.00 -0.10 0.00 0.00 174.94 176.09 3hg9 h ALA 71 N 8.81 1.76 -2.64 9.38 0.00 -1.96 -3.36 119.26 131.25 3hg9 h ALA 71 Ca -0.26 0.05 -0.36 0.00 0.00 0.00 0.00 54.91 54.34 3hg9 h ALA 71 Cb 1.10 -0.10 -0.37 0.00 0.00 0.00 0.00 17.79 18.42 3hg9 h ALA 71 CO 0.87 -0.08 -0.66 -1.54 0.00 0.00 0.00 179.25 177.84 3hg9 s SER 72 N -5.54 1.72 0.61 0.00 1.04 -1.26 -5.14 113.70 105.12 3hg9 s SER 72 Ca -0.11 -0.40 -0.13 0.00 0.48 0.00 0.00 55.95 55.80 3hg9 s SER 72 Cb 0.24 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3hg9 s SER 72 CO 0.80 -0.34 1.03 -2.16 0.98 0.00 0.00 173.24 173.55 3hg9 s PRO 73 N 2.27 3.49 0.67 4.02 0.04 -1.26 -5.07 135.00 139.17 3hg9 s PRO 73 Ca 0.06 0.93 -0.07 0.00 0.04 0.00 0.00 61.00 61.96 3hg9 s PRO 73 Cb -0.16 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.36 3hg9 s PRO 73 CO -0.14 -0.65 0.98 -2.14 0.04 0.00 0.00 177.00 175.09 3hg9 s PRO 74 N -4.67 2.44 0.04 0.56 0.02 -1.26 -5.08 135.00 127.04 3hg9 s PRO 74 Ca 0.58 -0.15 -0.12 0.00 0.02 0.00 0.00 61.00 61.33 3hg9 s PRO 74 Cb -0.12 -2.19 -0.06 0.00 0.02 0.00 0.00 34.50 32.15 3hg9 s PRO 74 CO 0.45 -1.07 0.40 0.00 -0.33 0.00 0.00 177.00 176.46 3hg9 s ALA 75 N -3.18 3.71 0.00 -1.55 0.00 -1.26 -3.90 121.76 115.58 3hg9 s ALA 75 Ca 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.24 3hg9 s ALA 75 Cb -0.11 -2.33 0.00 0.00 0.00 0.00 0.00 23.12 20.69 3hg9 s ALA 75 CO 0.45 0.52 0.00 0.41 0.00 0.00 0.00 175.76 177.14 3hg9 n GLY 76 N 1.35 0.62 0.12 0.00 0.00 -1.26 -4.95 105.19 101.07 3hg9 n GLY 76 Ca -0.11 -0.18 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 3hg9 n GLY 76 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3hg9 n LEU 77 N 0.00 2.13 0.43 0.99 7.94 -1.25 -1.92 117.00 125.32 3hg9 n LEU 77 Ca 0.00 0.19 -0.17 0.00 -1.11 0.00 0.00 56.01 54.92 3hg9 n LEU 77 Cb 0.00 -0.70 -0.08 0.00 0.53 0.00 0.00 43.42 43.17 3hg9 n LEU 77 CO 0.00 0.74 0.49 0.00 -1.11 0.00 0.00 177.39 177.51 3hg9 h ALA 78 N 0.33 -1.21 -0.06 1.96 0.00 -1.93 -1.90 119.26 116.45 3hg9 h ALA 78 Ca -0.42 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.25 3hg9 h ALA 78 Cb 2.02 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 20.23 3hg9 h ALA 78 CO 0.06 -1.13 -0.09 0.00 0.00 0.00 0.00 179.25 178.09 3hg9 h ALA 79 N -1.41 -0.41 -1.33 0.00 0.00 -2.00 0.27 119.26 114.37 3hg9 h ALA 79 Ca -0.11 -0.00 0.39 0.00 0.00 0.00 0.00 54.91 55.19 3hg9 h ALA 79 Cb 0.85 0.74 -0.09 0.00 0.00 0.00 0.00 17.79 19.29 3hg9 h ALA 79 CO 0.19 -0.46 0.91 0.00 0.00 0.00 0.00 179.25 179.89 3hg9 h ALA 80 N -1.13 2.93 0.22 0.00 0.00 -1.44 0.23 119.26 120.07 3hg9 h ALA 80 Ca 0.01 0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.63 3hg9 h ALA 80 Cb 0.10 0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.05 3hg9 h ALA 80 CO -0.09 -1.41 -1.43 0.28 0.00 0.00 0.00 179.25 176.60 3hg9 h VAL 81 N 0.12 1.25 -0.52 0.00 2.07 -0.23 -3.10 116.25 115.83 3hg9 h VAL 81 Ca 0.71 -2.63 0.03 0.00 0.82 0.00 0.00 66.70 65.64 3hg9 h VAL 81 Cb 2.44 3.01 -0.04 0.00 -1.52 0.00 0.00 31.29 35.19 3hg9 h VAL 81 CO -0.20 0.80 0.30 -0.78 0.02 0.00 0.00 177.57 177.70 3hg9 h ASP 82 N 0.04 0.46 -0.19 0.57 3.58 0.27 -2.47 116.42 118.68 3hg9 h ASP 82 Ca -0.26 0.01 0.05 0.00 0.42 0.00 0.00 57.03 57.26 3hg9 h ASP 82 Cb 2.07 -0.08 -0.07 0.00 1.72 0.00 0.00 39.33 42.96 3hg9 h ASP 82 CO 0.23 0.32 -0.38 0.74 -2.88 0.00 0.00 179.24 177.28 3hg9 h THR 83 N 0.58 0.19 0.00 2.25 2.02 -1.28 -2.47 112.91 114.20 3hg9 h THR 83 Ca 0.22 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.40 3hg9 h THR 83 Cb 0.06 0.19 0.00 0.00 -1.74 0.00 0.00 68.15 66.67 3hg9 h THR 83 CO -0.12 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.38 3hg9 n GLY 84 N -1.42 -0.52 0.39 2.16 0.00 -0.94 -4.12 105.19 100.74 3hg9 n GLY 84 Ca -0.03 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 3hg9 n GLY 84 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hg9 n THR 85 N -0.42 1.39 0.00 2.61 -2.24 -0.93 -5.09 114.28 109.61 3hg9 n THR 85 Ca 0.00 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 3hg9 n THR 85 Cb 0.03 -2.09 0.00 0.00 -2.10 0.00 0.00 70.33 66.16 3hg9 n THR 85 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hg9 n GLU 86 N -4.14 0.00 0.00 -0.78 1.02 -1.24 -5.01 120.64 110.49 3hg9 n GLU 86 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.02 3hg9 n GLU 86 Cb 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.81 3hg9 n GLU 86 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hg9 n SER 87 N 0.99 0.00 -3.46 1.62 2.88 -1.26 -4.30 113.62 110.10 3hg9 n SER 87 Ca 0.00 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3hg9 n SER 87 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 3hg9 n SER 87 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3hg9 s ASP 88 N 0.00 -1.09 0.19 -3.46 3.68 -1.26 -1.39 116.67 113.34 3hg9 s ASP 88 Ca 0.00 1.21 0.04 0.00 2.13 0.00 0.00 52.55 55.93 3hg9 s ASP 88 Cb 0.00 2.12 -0.05 0.00 -1.45 0.00 0.00 42.92 43.54 3hg9 s ASP 88 CO 0.00 -0.24 -0.05 -0.76 0.13 0.00 0.00 175.17 174.25 3hg9 s LEU 89 N 2.84 2.36 0.03 -1.34 1.43 -0.87 -5.01 118.68 118.13 3hg9 s LEU 89 Ca 0.05 -1.11 -0.01 0.00 -1.03 0.00 0.00 54.13 52.02 3hg9 s LEU 89 Cb -0.13 -0.31 -0.03 0.00 0.03 0.00 0.00 46.19 45.75 3hg9 s LEU 89 CO -0.19 -0.42 -0.01 0.68 0.23 0.00 0.00 176.35 176.65 3hg9 s VAL 90 N -3.37 0.16 0.00 -1.59 -7.23 -1.26 -0.73 120.40 106.37 3hg9 s VAL 90 Ca 0.23 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 3hg9 s VAL 90 Cb 0.04 -0.86 0.00 0.00 0.56 0.00 0.00 36.38 36.12 3hg9 s VAL 90 CO 0.05 -0.71 0.00 0.61 -0.31 0.00 0.00 175.10 174.74 3hg9 n GLY 91 N 0.88 0.26 3.86 2.32 0.00 -0.95 -4.44 105.19 107.11 3hg9 n GLY 91 Ca -0.19 -1.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 3hg9 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hg9 s VAL 92 N -2.00 5.03 -0.66 1.61 1.01 -1.03 -2.16 120.40 122.20 3hg9 s VAL 92 Ca 0.00 0.58 -0.23 0.00 0.00 0.00 0.00 61.98 62.33 3hg9 s VAL 92 Cb 0.00 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.77 3hg9 s VAL 92 CO 0.00 0.31 1.00 -0.60 0.00 0.00 0.00 175.10 175.81 3hg9 s ARG 93 N -1.83 3.13 -0.15 2.72 3.52 -0.63 -0.31 118.95 125.41 3hg9 s ARG 93 Ca 0.33 -0.73 -0.05 0.00 -0.13 0.00 0.00 55.73 55.15 3hg9 s ARG 93 Cb -0.14 -4.21 -0.03 0.00 -1.56 0.00 0.00 34.95 29.00 3hg9 s ARG 93 CO 0.18 -1.83 0.02 1.03 -0.81 0.00 0.00 175.30 173.89 3hg9 s ARG 94 N 4.25 3.66 -0.29 5.12 0.52 -0.79 -0.36 118.95 131.05 3hg9 s ARG 94 Ca 0.24 -0.41 -0.29 0.00 -0.52 0.00 0.00 55.73 54.76 3hg9 s ARG 94 Cb -0.16 -3.03 0.01 0.00 0.52 0.00 0.00 34.95 32.29 3hg9 s ARG 94 CO 0.11 0.37 1.20 -0.80 0.02 0.00 0.00 175.30 176.20 3hg9 s ASN 95 N 0.05 6.82 0.00 0.23 0.01 -1.26 0.14 114.94 120.94 3hg9 s ASN 95 Ca 0.03 1.21 0.00 0.00 -0.71 0.00 0.00 52.86 53.39 3hg9 s ASN 95 Cb -0.13 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 38.99 3hg9 s ASN 95 CO 0.02 -0.95 0.00 0.61 -1.51 0.00 0.00 177.10 175.27 3hg9 n GLY 96 N 4.02 0.85 3.10 0.66 0.00 -1.26 -5.10 105.19 107.46 3hg9 n GLY 96 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 3hg9 n GLY 96 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hg9 s GLN 97 N -0.39 0.63 -0.32 1.61 -1.52 0.38 -3.67 119.66 116.37 3hg9 s GLN 97 Ca 0.00 -1.13 0.03 0.00 -1.95 0.00 0.00 55.36 52.31 3hg9 s GLN 97 Cb 0.00 0.22 0.09 0.00 -0.22 0.00 0.00 33.01 33.11 3hg9 s GLN 97 CO 0.00 -0.13 0.03 -1.17 -0.25 0.00 0.00 175.29 173.77 3hg9 s LEU 98 N -2.80 4.33 -0.68 2.90 2.96 -0.25 -1.89 118.68 123.25 3hg9 s LEU 98 Ca 0.05 -1.98 -0.27 0.00 -0.22 0.00 0.00 54.13 51.71 3hg9 s LEU 98 Cb 0.06 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.24 3hg9 s LEU 98 CO -0.09 -0.35 1.22 0.54 -1.32 0.00 0.00 176.35 176.35 3hg9 s VAL 99 N 1.00 3.88 -0.35 1.68 0.11 0.57 -1.27 120.40 126.02 3hg9 s VAL 99 Ca 0.07 0.53 -0.06 0.00 -2.93 0.00 0.00 61.98 59.60 3hg9 s VAL 99 Cb -0.19 -4.83 0.05 0.00 -1.53 0.00 0.00 36.38 29.88 3hg9 s VAL 99 CO -0.09 -1.64 0.11 0.28 -3.33 0.00 0.00 175.10 170.43 3hg9 s THR 100 N 5.32 3.66 0.00 5.04 -1.32 0.20 -2.47 115.64 126.08 3hg9 s THR 100 Ca 0.37 -1.27 0.00 0.00 -1.21 0.00 0.00 61.69 59.58 3hg9 s THR 100 Cb -0.08 -3.13 0.00 0.00 -1.51 0.00 0.00 72.50 67.78 3hg9 s THR 100 CO 0.18 -0.24 0.77 -2.11 -2.21 0.00 0.00 174.62 171.01 3hg9 n ARG 101 N 4.78 0.00 0.00 7.08 0.00 -1.26 -0.59 116.66 126.66 3hg9 n ARG 101 Ca -0.12 -0.28 0.00 0.00 -0.00 0.00 0.00 57.85 57.46 3hg9 n ARG 101 Cb 0.44 -1.76 0.00 0.00 -0.00 0.00 0.00 32.46 31.14 3hg9 n ARG 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3hg9 n ARG 102 N 4.09 1.33 -0.09 2.89 1.74 -1.26 -4.92 116.66 120.44 3hg9 n ARG 102 Ca 0.00 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 57.17 3hg9 n ARG 102 Cb 0.00 -0.16 0.12 0.00 -1.02 0.00 0.00 32.46 31.41 3hg9 n ARG 102 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hg9 n LEU 103 N -0.15 2.21 0.00 0.55 7.99 0.24 -5.11 117.00 122.73 3hg9 n LEU 103 Ca 0.00 -2.92 0.00 0.00 -0.01 0.00 0.00 56.01 53.08 3hg9 n LEU 103 Cb 0.00 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 42.93 3hg9 n LEU 103 CO 0.00 0.67 0.00 0.61 -1.51 0.00 0.00 177.39 177.16 3hg9 n GLY 104 N -1.31 1.13 3.54 -0.72 0.00 -0.64 -4.53 105.19 102.65 3hg9 n GLY 104 Ca 0.14 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 3hg9 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg9 s ALA 105 N -1.79 3.49 -0.30 4.61 0.00 -1.26 0.61 121.76 127.11 3hg9 s ALA 105 Ca 0.00 -1.24 -0.10 0.00 0.00 0.00 0.00 51.96 50.62 3hg9 s ALA 105 Cb 0.00 -2.87 -0.02 0.00 0.00 0.00 0.00 23.12 20.24 3hg9 s ALA 105 CO 0.00 -1.16 0.15 0.95 0.00 0.00 0.00 175.76 175.71 3hg9 s THR 106 N 2.06 4.71 -0.31 0.00 -4.23 -0.40 -4.90 115.64 112.57 3hg9 s THR 106 Ca 0.12 -0.31 -0.29 0.00 -1.18 0.00 0.00 61.69 60.03 3hg9 s THR 106 Cb -0.17 -3.36 0.02 0.00 1.34 0.00 0.00 72.50 70.33 3hg9 s THR 106 CO 0.12 0.11 1.08 0.00 -0.54 0.00 0.00 174.62 175.39 3hg9 s ALA 107 N 1.64 3.51 0.10 3.99 0.00 -1.26 -1.09 121.76 128.66 3hg9 s ALA 107 Ca 0.05 -0.03 0.05 0.00 0.00 0.00 0.00 51.96 52.04 3hg9 s ALA 107 Cb -0.17 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.25 3hg9 s ALA 107 CO 0.07 -1.45 -0.13 0.42 0.00 0.00 0.00 175.76 174.67 3hg9 s ILE 108 N 3.62 1.19 -0.81 0.00 1.01 -1.24 -4.98 121.20 119.99 3hg9 s ILE 108 Ca 0.46 -1.60 -0.18 0.00 0.00 0.00 0.00 60.65 59.32 3hg9 s ILE 108 Cb -0.13 -1.39 -0.20 0.00 0.01 0.00 0.00 42.46 40.76 3hg9 s ILE 108 CO 0.15 -0.40 2.12 0.00 0.00 0.00 0.00 174.94 176.80 3hg9 n ALA 109 N 0.71 0.58 -3.02 9.38 0.00 -1.26 -4.72 120.51 122.18 3hg9 n ALA 109 Ca -0.17 -1.30 -0.38 0.00 0.00 0.00 0.00 53.44 51.59 3hg9 n ALA 109 Cb 0.56 -2.68 -0.12 0.00 0.00 0.00 0.00 19.45 17.21 3hg9 n ALA 109 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hg9 s LEU 110 N 8.82 4.10 0.33 0.00 1.43 -1.26 -5.05 118.68 127.04 3hg9 s LEU 110 Ca 0.93 -0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 53.07 3hg9 s LEU 110 Cb -0.33 -1.95 -0.15 0.00 0.03 0.00 0.00 46.19 43.79 3hg9 s LEU 110 CO 0.24 -0.23 0.49 -2.65 0.23 0.00 0.00 176.35 174.44 3hg9 n PRO 111 N 4.92 0.36 -0.28 1.29 -0.02 -1.26 -4.84 135.00 135.17 3hg9 n PRO 111 Ca -0.14 0.13 0.10 0.00 -2.02 0.00 0.00 63.50 61.57 3hg9 n PRO 111 Cb 0.48 -1.27 0.25 0.00 -0.02 0.00 0.00 33.50 32.94 3hg9 n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hg9 h ALA 112 N 0.92 1.23 0.00 3.55 0.00 -2.02 -2.96 119.26 119.97 3hg9 h ALA 112 Ca -0.35 0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3hg9 h ALA 112 Cb 1.42 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3hg9 h ALA 112 CO 0.53 -0.33 -0.23 -1.35 0.00 0.00 0.00 179.25 177.87 3hg9 h PRO 113 N 0.36 0.00 -6.34 0.00 0.11 -2.06 -3.38 132.00 120.69 3hg9 h PRO 113 Ca 0.50 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 66.04 3hg9 h PRO 113 Cb 0.89 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.97 3hg9 h PRO 113 CO -0.52 0.23 1.09 -1.50 -0.21 0.00 0.00 178.00 177.10 3hg9 s ILE 114 N -3.24 3.82 0.31 4.15 1.10 -1.12 -4.99 121.20 121.23 3hg9 s ILE 114 Ca 0.04 0.91 0.03 0.00 -0.51 0.00 0.00 60.65 61.11 3hg9 s ILE 114 Cb 0.07 -3.90 0.06 0.00 0.15 0.00 0.00 42.46 38.84 3hg9 s ILE 114 CO 0.68 -0.43 0.43 -0.81 -2.11 0.00 0.00 174.94 172.70 3hg9 n PRO 115 N 7.72 0.58 -1.52 3.50 -0.04 -1.26 -4.86 135.00 139.12 3hg9 n PRO 115 Ca 0.18 -1.42 -0.37 0.00 -0.04 0.00 0.00 63.50 61.84 3hg9 n PRO 115 Cb 0.46 -0.20 0.06 0.00 -0.04 0.00 0.00 33.50 33.78 3hg9 n PRO 115 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hg9 n GLU 116 N -1.73 0.69 -0.71 0.54 4.71 -1.26 -2.99 120.64 119.89 3hg9 n GLU 116 Ca 0.08 0.28 0.00 0.00 -0.01 0.00 0.00 57.16 57.50 3hg9 n GLU 116 Cb 0.29 -2.04 0.00 0.00 -1.01 0.00 0.00 31.44 28.68 3hg9 n GLU 116 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3hg9 n GLY 117 N 1.42 0.00 3.75 0.62 0.00 0.51 -4.94 105.19 106.55 3hg9 n GLY 117 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3hg9 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hg9 s ALA 118 N -0.80 3.42 0.23 4.61 0.00 -1.16 -4.55 121.76 123.51 3hg9 s ALA 118 Ca 0.00 0.92 -0.30 0.00 0.00 0.00 0.00 51.96 52.58 3hg9 s ALA 118 Cb 0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 3hg9 s ALA 118 CO 0.00 -0.26 0.98 0.08 0.00 0.00 0.00 175.76 176.56 3hg9 s VAL 119 N -0.69 4.00 -0.03 0.00 1.01 -1.26 -1.60 120.40 121.83 3hg9 s VAL 119 Ca 0.48 1.96 -0.00 0.00 0.00 0.00 0.00 61.98 64.42 3hg9 s VAL 119 Cb -0.32 -4.25 0.03 0.00 0.00 0.00 0.00 36.38 31.84 3hg9 s VAL 119 CO 0.39 0.45 0.02 -0.69 0.00 0.00 0.00 175.10 175.27 3hg9 s VAL 120 N -1.02 0.06 -0.17 2.92 1.01 -0.92 -5.01 120.40 117.27 3hg9 s VAL 120 Ca 0.43 0.19 -0.05 0.00 0.00 0.00 0.00 61.98 62.55 3hg9 s VAL 120 Cb -0.27 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 3hg9 s VAL 120 CO 0.33 0.14 -0.00 0.00 0.00 0.00 0.00 175.10 175.57 3hg9 s ALA 121 N 1.30 3.12 -0.13 5.51 0.00 -1.26 -2.24 121.76 128.05 3hg9 s ALA 121 Ca -0.06 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.08 3hg9 s ALA 121 Cb -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.29 3hg9 s ALA 121 CO -0.03 0.12 -0.19 0.08 0.00 0.00 0.00 175.76 175.74 3hg9 s VAL 122 N 0.52 2.37 -0.42 0.00 1.01 0.09 -5.02 120.40 118.95 3hg9 s VAL 122 Ca -0.01 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.10 3hg9 s VAL 122 Cb -0.14 -1.96 0.14 0.00 0.00 0.00 0.00 36.38 34.42 3hg9 s VAL 122 CO 0.02 0.54 0.24 -0.75 0.00 0.00 0.00 175.10 175.15 3hg9 s LYS 123 N 0.65 1.09 0.35 2.72 2.47 -1.26 -2.05 119.74 123.70 3hg9 s LYS 123 Ca -0.10 -1.86 -0.26 0.00 -1.56 0.00 0.00 55.97 52.20 3hg9 s LYS 123 Cb -0.16 -2.01 -0.13 0.00 -1.46 0.00 0.00 37.83 34.07 3hg9 s LYS 123 CO 0.02 -1.19 0.90 -1.91 0.16 0.00 0.00 175.35 173.33 3hg9 n GLU 124 N 3.60 1.15 -0.89 4.03 2.13 -0.48 -4.84 120.64 125.33 3hg9 n GLU 124 Ca 0.11 0.41 -0.04 0.00 0.66 0.00 0.00 57.16 58.30 3hg9 n GLU 124 Cb 0.36 -1.80 0.28 0.00 0.27 0.00 0.00 31.44 30.55 3hg9 n GLU 124 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hg9 n GLY 125 N 1.35 3.32 0.91 8.31 0.00 -1.26 -4.39 105.19 113.43 3hg9 n GLY 125 Ca 0.10 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.26 3hg9 n GLY 125 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3hg9 n HIS 126 N -0.02 -0.46 0.25 1.61 1.44 -1.26 -5.06 115.22 111.72 3hg9 n HIS 126 Ca 0.35 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 56.09 3hg9 n HIS 126 Cb 1.25 -0.58 0.03 0.00 0.12 0.00 0.00 29.99 30.81 3hg9 n HIS 126 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25