#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhf s GLN 92 N 0.00 0.93 0.00 -0.52 -2.07 -1.26 -4.20 119.66 112.54 3hhf s GLN 92 Ca 0.00 -0.73 0.00 0.00 -1.82 0.00 0.00 55.36 52.81 3hhf s GLN 92 Cb 0.00 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.32 3hhf s GLN 92 CO 0.00 -0.33 0.00 0.41 -1.32 0.00 0.00 175.29 174.05 3hhf n GLY 93 N 0.04 -1.92 3.71 2.60 0.00 -0.65 -4.89 105.19 104.09 3hhf n GLY 93 Ca -0.16 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.31 3hhf n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hhf s VAL 94 N -0.51 5.13 -0.19 1.61 1.01 -1.26 -0.79 120.40 125.40 3hhf s VAL 94 Ca 0.00 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.11 3hhf s VAL 94 Cb 0.00 -3.90 0.02 0.00 0.00 0.00 0.00 36.38 32.51 3hhf s VAL 94 CO 0.00 0.28 -0.19 -0.22 0.00 0.00 0.00 175.10 174.97 3hhf s LEU 95 N 0.85 2.23 -0.31 3.92 2.96 -0.97 -4.95 118.68 122.39 3hhf s LEU 95 Ca 0.29 -0.71 -0.15 0.00 -0.22 0.00 0.00 54.13 53.35 3hhf s LEU 95 Cb -0.16 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 3hhf s LEU 95 CO 0.13 -0.02 0.34 -0.94 -1.32 0.00 0.00 176.35 174.54 3hhf s SER 96 N 1.28 6.18 -0.16 3.68 1.04 -1.26 -0.28 113.70 124.17 3hhf s SER 96 Ca 0.04 -0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.40 3hhf s SER 96 Cb -0.14 -2.19 -0.01 0.00 0.10 0.00 0.00 66.02 63.78 3hhf s SER 96 CO -0.12 -0.26 -0.11 -0.69 0.98 0.00 0.00 173.24 173.04 3hhf s VAL 97 N 2.00 3.10 -0.03 5.02 1.01 0.86 -1.63 120.40 130.73 3hhf s VAL 97 Ca 0.12 -0.62 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3hhf s VAL 97 Cb -0.16 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3hhf s VAL 97 CO 0.11 0.50 -0.12 -0.62 0.00 0.00 0.00 175.10 174.97 3hhf s ASP 98 N 0.75 4.24 0.17 3.32 2.15 -0.16 -1.22 116.67 125.93 3hhf s ASP 98 Ca -0.04 -0.18 -0.24 0.00 0.43 0.00 0.00 52.55 52.51 3hhf s ASP 98 Cb -0.15 -0.92 0.07 0.00 -0.30 0.00 0.00 42.92 41.62 3hhf s ASP 98 CO 0.01 0.32 0.98 -0.94 -0.17 0.00 0.00 175.17 175.38 3hhf s SER 99 N -0.99 -0.10 0.00 -0.34 1.04 -0.97 -1.04 113.70 111.31 3hhf s SER 99 Ca 0.13 -0.53 0.00 0.00 0.48 0.00 0.00 55.95 56.03 3hhf s SER 99 Cb -0.11 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3hhf s SER 99 CO 0.03 -0.96 0.00 0.00 0.98 0.00 0.00 173.24 173.28 3hhf n ALA 100 N -0.55 0.00 -0.80 5.32 0.00 -1.26 -2.99 120.51 120.22 3hhf n ALA 100 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3hhf n ALA 100 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 3hhf n ALA 100 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3hhf n PRO 102 N 0.00 -1.26 0.00 0.00 -0.02 -1.26 -4.74 135.00 127.72 3hhf n PRO 102 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hhf n PRO 102 Cb 0.00 -0.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 3hhf n PRO 102 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hhf n VAL 104 N -0.43 0.00 0.02 -1.45 0.31 -1.26 -1.75 118.33 113.76 3hhf n VAL 104 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.15 3hhf n VAL 104 Cb 0.08 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.93 3hhf n VAL 104 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3hhf h LEU 105 N 0.00 0.89 0.00 7.52 3.38 -1.97 0.17 115.31 125.30 3hhf h LEU 105 Ca 0.00 -0.65 0.00 0.00 0.09 0.00 0.00 57.88 57.32 3hhf h LEU 105 Cb 0.00 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3hhf h LEU 105 CO 0.00 1.45 -1.57 1.41 0.09 0.00 0.00 178.44 179.82 3hhf n HIS 106 N -3.88 0.23 0.03 1.13 8.25 -0.72 -4.46 115.22 115.80 3hhf n HIS 106 Ca -0.09 0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 3hhf n HIS 106 Cb 0.82 -0.54 0.00 0.00 1.12 0.00 0.00 29.99 31.39 3hhf n HIS 106 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hhf n LEU 107 N -2.23 0.48 0.21 2.41 4.32 -1.26 -4.73 117.00 116.20 3hhf n LEU 107 Ca -0.02 0.10 -0.09 0.00 -0.02 0.00 0.00 56.01 55.98 3hhf n LEU 107 Cb 0.52 -0.12 -0.04 0.00 -1.62 0.00 0.00 43.42 42.16 3hhf n LEU 107 CO 0.44 -0.43 0.25 -0.07 -1.22 0.00 0.00 177.39 176.36 3hhf h LEU 108 N 0.00 -0.50 -0.74 2.23 3.38 -1.84 -3.26 115.31 114.58 3hhf h LEU 108 Ca 0.00 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.14 3hhf h LEU 108 Cb 0.42 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.16 3hhf h LEU 108 CO 0.00 -0.12 -0.17 0.00 0.09 0.00 0.00 178.44 178.25 3hhf h ALA 109 N -1.25 0.52 -0.66 1.53 0.00 -0.90 0.16 119.26 118.66 3hhf h ALA 109 Ca -0.06 0.28 0.09 0.00 0.00 0.00 0.00 54.91 55.23 3hhf h ALA 109 Cb 0.45 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3hhf h ALA 109 CO 0.10 -0.41 0.44 -1.35 0.00 0.00 0.00 179.25 178.02 3hhf h PRO 110 N 0.01 0.51 0.00 0.00 0.11 -1.78 -2.67 132.00 128.18 3hhf h PRO 110 Ca 0.36 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3hhf h PRO 110 Cb 0.56 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.56 3hhf h PRO 110 CO -0.75 0.34 -0.46 1.28 -0.21 0.00 0.00 178.00 178.20 3hhf n LEU 111 N -4.48 0.47 0.20 2.35 4.77 0.43 -4.27 117.00 116.46 3hhf n LEU 111 Ca 0.11 0.07 0.04 0.00 -0.03 0.00 0.00 56.01 56.20 3hhf n LEU 111 Cb 0.34 -0.27 0.41 0.00 -2.33 0.00 0.00 43.42 41.57 3hhf n LEU 111 CO 0.33 0.09 0.78 0.00 -1.33 0.00 0.00 177.39 177.27 3hhf h ALA 112 N 2.95 1.43 -0.18 -1.18 0.00 -0.84 -1.29 119.26 120.16 3hhf h ALA 112 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 3hhf h ALA 112 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hhf h ALA 112 CO 0.00 0.39 -0.70 0.00 0.00 0.00 0.00 179.25 178.94 3hhf h ALA 113 N 1.69 0.42 -0.38 0.00 0.00 -1.74 -1.00 119.26 118.24 3hhf h ALA 113 Ca -0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 3hhf h ALA 113 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hhf h ALA 113 CO 0.04 0.70 -0.21 -0.22 0.00 0.00 0.00 179.25 179.56 3hhf h LYS 114 N 0.53 0.82 -0.51 0.00 3.64 -1.76 -2.59 116.57 116.70 3hhf h LYS 114 Ca -0.03 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 58.96 3hhf h LYS 114 Cb 1.31 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 3hhf h LYS 114 CO 0.14 1.00 0.21 0.35 -2.27 0.00 0.00 179.45 178.89 3hhf h PHE 115 N 0.62 0.71 -0.46 1.91 3.57 -1.22 -2.77 116.94 119.31 3hhf h PHE 115 Ca 0.08 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.44 3hhf h PHE 115 Cb 0.77 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3hhf h PHE 115 CO 0.06 0.55 -0.18 -0.97 -2.23 0.00 0.00 178.31 175.54 3hhf h ASN 116 N 0.72 0.90 -0.43 0.41 -1.24 -1.08 -0.32 115.58 114.53 3hhf h ASN 116 Ca 0.18 -0.31 -0.11 0.00 0.71 0.00 0.00 56.30 56.76 3hhf h ASN 116 Cb 0.12 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 38.91 3hhf h ASN 116 CO -0.02 1.06 -0.15 -0.33 -1.29 0.00 0.00 177.43 176.69 3hhf h GLU 117 N 0.78 0.91 -0.00 6.67 5.08 -1.26 -1.49 114.58 125.26 3hhf h GLU 117 Ca 0.11 -0.34 -0.21 0.00 -1.00 0.00 0.00 59.36 57.92 3hhf h GLU 117 Cb 0.71 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.92 3hhf h GLU 117 CO 0.05 0.99 -0.81 -0.09 -1.00 0.00 0.00 179.01 178.16 3hhf h ARG 118 N 0.80 0.55 -2.38 2.33 2.43 -1.42 -3.39 114.38 113.32 3hhf h ARG 118 Ca 0.12 -0.59 -0.60 0.00 -0.81 0.00 0.00 59.98 58.10 3hhf h ARG 118 Cb 0.69 0.17 -0.41 0.00 -0.42 0.00 0.00 29.97 30.00 3hhf h ARG 118 CO 0.05 1.21 -0.72 0.66 -1.51 0.00 0.00 179.97 179.67 3hhf n TYR 119 N -4.05 2.42 0.43 2.20 4.02 -0.14 -4.95 117.16 117.08 3hhf n TYR 119 Ca -0.11 -4.01 0.07 0.00 -0.01 0.00 0.00 57.90 53.84 3hhf n TYR 119 Cb 0.77 -0.46 0.30 0.00 -0.02 0.00 0.00 39.34 39.93 3hhf n TYR 119 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 3hhf n PRO 120 N 1.38 0.03 0.00 -0.72 -0.04 -0.56 -2.48 135.00 132.60 3hhf n PRO 120 Ca 0.26 0.31 0.13 0.00 -0.04 0.00 0.00 63.50 64.15 3hhf n PRO 120 Cb 0.42 -1.55 0.31 0.00 -0.04 0.00 0.00 33.50 32.64 3hhf n PRO 120 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hhf n HIS 121 N -1.60 0.00 -3.42 0.54 8.25 -1.26 -4.83 115.22 112.90 3hhf n HIS 121 Ca 0.03 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.09 3hhf n HIS 121 Cb 0.16 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.16 3hhf n HIS 121 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3hhf s ILE 122 N -2.07 5.19 -0.82 1.59 1.01 -1.04 -1.63 121.20 123.44 3hhf s ILE 122 Ca 0.32 0.31 -0.20 0.00 0.00 0.00 0.00 60.65 61.08 3hhf s ILE 122 Cb 0.20 -3.72 0.12 0.00 0.01 0.00 0.00 42.46 39.06 3hhf s ILE 122 CO 0.35 0.07 1.02 -0.13 0.00 0.00 0.00 174.94 176.26 3hhf s ARG 123 N 2.01 3.41 0.32 2.79 0.52 0.03 -4.93 118.95 123.10 3hhf s ARG 123 Ca 0.13 -1.50 -0.29 0.00 -0.52 0.00 0.00 55.73 53.55 3hhf s ARG 123 Cb -0.16 -4.65 -0.11 0.00 0.52 0.00 0.00 34.95 30.56 3hhf s ARG 123 CO 0.11 -1.74 1.42 -0.51 0.02 0.00 0.00 175.30 174.60 3hhf s LEU 124 N 2.95 4.38 -0.27 2.53 1.43 -1.26 -2.30 118.68 126.14 3hhf s LEU 124 Ca 0.27 2.82 0.03 0.00 -1.03 0.00 0.00 54.13 56.22 3hhf s LEU 124 Cb -0.10 -3.65 0.07 0.00 0.03 0.00 0.00 46.19 42.54 3hhf s LEU 124 CO -0.03 -0.71 -0.08 -0.55 0.23 0.00 0.00 176.35 175.21 3hhf s SER 125 N -0.09 4.47 -0.49 2.29 0.15 0.61 -4.89 113.70 115.75 3hhf s SER 125 Ca 0.54 -1.51 -0.13 0.00 0.70 0.00 0.00 55.95 55.55 3hhf s SER 125 Cb -0.43 -1.54 0.10 0.00 -1.71 0.00 0.00 66.02 62.44 3hhf s SER 125 CO 0.53 -0.22 0.40 -0.76 1.20 0.00 0.00 173.24 174.39 3hhf s LEU 126 N 1.09 5.75 0.15 3.45 1.43 -1.26 -0.09 118.68 129.19 3hhf s LEU 126 Ca -0.06 -1.65 0.05 0.00 -1.03 0.00 0.00 54.13 51.45 3hhf s LEU 126 Cb -0.20 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 3hhf s LEU 126 CO -0.06 -0.71 0.08 0.68 0.23 0.00 0.00 176.35 176.58 3hhf s VAL 127 N 1.53 4.27 -0.19 -1.59 -7.23 -0.36 -5.00 120.40 111.83 3hhf s VAL 127 Ca 0.04 -1.10 0.01 0.00 -1.81 0.00 0.00 61.98 59.12 3hhf s VAL 127 Cb -0.26 -3.14 0.03 0.00 0.56 0.00 0.00 36.38 33.57 3hhf s VAL 127 CO 0.03 -0.05 -0.14 -0.55 -0.31 0.00 0.00 175.10 174.08 3hhf s SER 128 N -2.88 3.23 0.15 4.85 0.15 -1.26 -2.28 113.70 115.66 3hhf s SER 128 Ca 0.29 -0.77 0.02 0.00 0.70 0.00 0.00 55.95 56.20 3hhf s SER 128 Cb -0.10 -1.30 -0.01 0.00 -1.71 0.00 0.00 66.02 62.90 3hhf s SER 128 CO 0.22 -0.09 0.08 -1.54 1.20 0.00 0.00 173.24 173.10 3hhf n SER 129 N 4.67 0.50 -4.21 5.45 3.41 -1.16 -4.97 113.62 117.31 3hhf n SER 129 Ca -0.17 -1.86 -0.34 0.00 -0.26 0.00 0.00 58.87 56.24 3hhf n SER 129 Cb 0.48 0.51 -0.15 0.00 -0.26 0.00 0.00 64.21 64.79 3hhf n SER 129 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 3hhf s GLU 130 N -2.58 2.97 1.02 4.33 1.03 -1.26 -4.35 118.70 119.87 3hhf s GLU 130 Ca 0.11 -0.88 0.00 0.00 0.03 0.00 0.00 54.97 54.24 3hhf s GLU 130 Cb 0.01 -2.91 0.00 0.00 -0.80 0.00 0.00 34.13 30.43 3hhf s GLU 130 CO 0.08 -0.32 0.00 0.41 -1.33 0.00 0.00 175.26 174.10 3hhf n GLY 131 N 4.68 -1.89 2.03 -3.83 0.00 -1.26 -4.40 105.19 100.52 3hhf n GLY 131 Ca -0.18 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.29 3hhf n GLY 131 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hhf n TYR 132 N -0.74 2.55 0.00 1.61 4.01 -1.26 -4.55 117.16 118.78 3hhf n TYR 132 Ca 0.00 -1.71 -0.10 0.00 -0.16 0.00 0.00 57.90 55.93 3hhf n TYR 132 Cb 0.03 -0.87 -0.08 0.00 -0.31 0.00 0.00 39.34 38.11 3hhf n TYR 132 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 3hhf h ILE 133 N 0.84 1.04 -0.68 -0.72 2.04 -2.00 -2.25 117.51 115.79 3hhf h ILE 133 Ca 0.52 -1.44 0.12 0.00 1.00 0.00 0.00 64.86 65.07 3hhf h ILE 133 Cb 2.40 1.84 -0.09 0.00 -0.74 0.00 0.00 36.82 40.23 3hhf h ILE 133 CO 0.95 0.30 0.25 0.78 0.00 0.00 0.00 178.15 180.43 3hhf h ASN 134 N -0.88 0.22 0.24 1.72 2.35 -1.89 0.10 115.58 117.44 3hhf h ASN 134 Ca -0.01 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 3hhf h ASN 134 Cb 0.58 0.09 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3hhf h ASN 134 CO 0.02 0.10 -0.12 0.25 -1.65 0.00 0.00 177.43 176.04 3hhf h LEU 135 N 0.41 -0.27 -0.80 1.61 5.85 -1.84 0.49 115.31 120.75 3hhf h LEU 135 Ca 0.36 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 3hhf h LEU 135 Cb 0.51 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 3hhf h LEU 135 CO -0.37 -0.00 0.03 0.40 -0.34 0.00 0.00 178.44 178.16 3hhf h ILE 136 N -0.55 1.25 -0.02 4.05 2.04 -1.25 -1.89 117.51 121.14 3hhf h ILE 136 Ca -0.03 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 64.78 3hhf h ILE 136 Cb 0.41 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3hhf h ILE 136 CO 0.05 0.38 0.00 -0.62 0.00 0.00 0.00 178.15 177.96 3hhf n GLU 137 N -4.21 1.09 -3.17 2.37 1.02 0.01 -4.92 120.64 112.84 3hhf n GLU 137 Ca 0.03 -0.14 -0.15 0.00 -0.02 0.00 0.00 57.16 56.88 3hhf n GLU 137 Cb 0.31 -1.32 0.06 0.00 -0.02 0.00 0.00 31.44 30.46 3hhf n GLU 137 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hhf n ARG 138 N -0.67 -5.33 0.00 3.49 1.74 -0.71 -4.93 116.66 110.25 3hhf n ARG 138 Ca 0.15 0.61 0.11 0.00 -0.77 0.00 0.00 57.85 57.95 3hhf n ARG 138 Cb 0.10 -4.95 -0.13 0.00 -1.02 0.00 0.00 32.46 26.47 3hhf n ARG 138 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3hhf n LYS 139 N -3.53 0.47 -4.27 5.56 5.02 0.16 -4.95 118.16 116.61 3hhf n LYS 139 Ca -0.10 -0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 55.93 3hhf n LYS 139 Cb 0.58 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.95 3hhf n LYS 139 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3hhf s VAL 140 N -3.36 1.05 0.01 -0.18 -7.23 -1.18 -4.99 120.40 104.52 3hhf s VAL 140 Ca -0.03 -2.04 0.04 0.00 -1.81 0.00 0.00 61.98 58.14 3hhf s VAL 140 Cb 0.14 -2.05 -0.25 0.00 0.56 0.00 0.00 36.38 34.79 3hhf s VAL 140 CO 0.88 -0.57 0.87 0.44 -0.31 0.00 0.00 175.10 176.41 3hhf h ASP 141 N 2.67 0.19 -4.13 4.85 3.32 -1.68 -3.43 116.42 118.21 3hhf h ASP 141 Ca -0.37 -0.29 -0.10 0.00 0.02 0.00 0.00 57.03 56.30 3hhf h ASP 141 Cb 1.20 -0.06 -0.22 0.00 0.22 0.00 0.00 39.33 40.47 3hhf h ASP 141 CO 0.64 1.24 -0.11 -0.51 -1.72 0.00 0.00 179.24 178.78 3hhf s ILE 142 N -2.63 0.01 -0.03 0.35 2.07 -1.09 -4.58 121.20 115.31 3hhf s ILE 142 Ca -0.06 -0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.20 3hhf s ILE 142 Cb 0.08 -0.72 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 3hhf s ILE 142 CO 0.83 -0.03 -0.25 0.00 -1.91 0.00 0.00 174.94 173.58 3hhf s ALA 143 N -0.04 2.11 -0.41 1.50 0.00 -0.13 -0.99 121.76 123.81 3hhf s ALA 143 Ca -0.02 -1.08 -0.07 0.00 0.00 0.00 0.00 51.96 50.78 3hhf s ALA 143 Cb -0.03 -0.56 0.08 0.00 0.00 0.00 0.00 23.12 22.61 3hhf s ALA 143 CO 0.02 0.50 0.23 -0.51 0.00 0.00 0.00 175.76 176.00 3hhf s LEU 144 N -0.51 5.09 0.05 0.00 1.02 -0.20 0.52 118.68 124.65 3hhf s LEU 144 Ca 0.07 -1.60 -0.05 0.00 0.02 0.00 0.00 54.13 52.57 3hhf s LEU 144 Cb -0.11 -1.93 -0.02 0.00 0.02 0.00 0.00 46.19 44.15 3hhf s LEU 144 CO -0.00 -0.52 0.08 -0.13 0.02 0.00 0.00 176.35 175.80 3hhf s ARG 145 N 1.35 0.65 0.01 1.70 0.52 0.02 -4.36 118.95 118.83 3hhf s ARG 145 Ca 0.03 -0.91 0.24 0.00 -0.52 0.00 0.00 55.73 54.58 3hhf s ARG 145 Cb -0.23 0.25 0.40 0.00 0.52 0.00 0.00 34.95 35.89 3hhf s ARG 145 CO 0.00 -0.16 1.34 0.00 0.02 0.00 0.00 175.30 176.50 3hhf n ALA 146 N 0.44 3.67 -0.93 2.13 0.00 -1.26 -0.73 120.51 123.82 3hhf n ALA 146 Ca -0.17 -0.38 -0.30 0.00 0.00 0.00 0.00 53.44 52.59 3hhf n ALA 146 Cb 0.60 -1.07 0.24 0.00 0.00 0.00 0.00 19.45 19.21 3hhf n ALA 146 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hhf s GLY 147 N -3.04 1.55 -0.38 0.00 0.00 -1.26 -4.63 107.32 99.55 3hhf s GLY 147 Ca 0.10 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 44.06 3hhf s GLY 147 CO 0.72 0.07 0.13 1.85 0.00 0.00 0.00 173.10 175.88 3hhf s GLU 148 N -5.21 1.37 -0.74 2.90 2.12 -1.26 -4.84 118.70 113.03 3hhf s GLU 148 Ca 0.69 -1.85 -0.16 0.00 0.36 0.00 0.00 54.97 54.01 3hhf s GLU 148 Cb -0.13 -2.81 0.17 0.00 0.26 0.00 0.00 34.13 31.62 3hhf s GLU 148 CO 0.57 -1.02 0.75 -0.51 -0.54 0.00 0.00 175.26 174.52 3hhf s LEU 149 N 0.76 6.13 0.21 2.70 1.43 -1.26 -5.04 118.68 123.61 3hhf s LEU 149 Ca 0.13 -2.17 0.09 0.00 -1.03 0.00 0.00 54.13 51.14 3hhf s LEU 149 Cb -0.21 -2.26 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 3hhf s LEU 149 CO -0.09 -0.81 -0.05 -1.81 0.23 0.00 0.00 176.35 173.82 3hhf s ASP 150 N 2.95 4.44 -1.58 2.29 1.01 -1.26 -4.49 116.67 120.03 3hhf s ASP 150 Ca 0.16 -0.57 0.00 0.00 0.71 0.00 0.00 52.55 52.85 3hhf s ASP 150 Cb -0.16 -0.82 0.00 0.00 1.01 0.00 0.00 42.92 42.95 3hhf s ASP 150 CO -0.04 0.07 0.00 0.47 0.21 0.00 0.00 175.17 175.88 3hhf n ASP 151 N -0.30 -5.10 -0.09 0.27 8.00 -1.26 -4.91 116.55 113.16 3hhf n ASP 151 Ca -0.09 0.10 -0.09 0.00 0.71 0.00 0.00 54.79 55.42 3hhf n ASP 151 Cb 0.57 -4.17 -0.16 0.00 -0.02 0.00 0.00 41.12 37.34 3hhf n ASP 151 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3hhf n SER 152 N -1.19 0.11 0.00 -2.24 3.41 -1.26 -5.01 113.62 107.44 3hhf n SER 152 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 3hhf n SER 152 Cb 0.63 1.03 0.00 0.00 -0.26 0.00 0.00 64.21 65.61 3hhf n SER 152 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hhf n GLY 153 N 1.76 2.69 3.77 5.00 0.00 -1.26 -5.06 105.19 112.08 3hhf n GLY 153 Ca -0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 3hhf n GLY 153 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hhf s LEU 154 N 0.00 4.03 0.26 0.99 1.43 -1.26 -4.67 118.68 119.45 3hhf s LEU 154 Ca 0.00 2.44 -0.29 0.00 -1.03 0.00 0.00 54.13 55.25 3hhf s LEU 154 Cb 0.00 -4.18 -0.09 0.00 0.03 0.00 0.00 46.19 41.94 3hhf s LEU 154 CO 0.00 -1.01 0.95 -0.13 0.23 0.00 0.00 176.35 176.39 3hhf s ARG 155 N -2.64 4.78 -0.11 1.70 1.81 0.15 -4.89 118.95 119.75 3hhf s ARG 155 Ca 0.64 1.47 0.02 0.00 -1.72 0.00 0.00 55.73 56.14 3hhf s ARG 155 Cb -0.32 -3.17 0.01 0.00 -0.45 0.00 0.00 34.95 31.02 3hhf s ARG 155 CO 0.39 0.45 -0.17 0.00 -0.68 0.00 0.00 175.30 175.29 3hhf s ALA 156 N -1.27 1.81 -0.15 2.13 0.00 -1.26 -1.71 121.76 121.30 3hhf s ALA 156 Ca 0.43 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.59 3hhf s ALA 156 Cb -0.25 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 3hhf s ALA 156 CO 0.31 -0.03 -0.14 0.50 0.00 0.00 0.00 175.76 176.40 3hhf s ARG 157 N 0.89 3.28 0.24 0.00 6.06 0.19 -4.94 118.95 124.66 3hhf s ARG 157 Ca -0.08 -0.72 -0.30 0.00 -2.50 0.00 0.00 55.73 52.13 3hhf s ARG 157 Cb -0.15 -2.66 -0.10 0.00 0.06 0.00 0.00 34.95 32.10 3hhf s ARG 157 CO -0.01 0.05 1.40 -1.58 -2.50 0.00 0.00 175.30 172.67 3hhf s HIS 158 N 0.74 3.08 -0.11 5.12 5.65 -1.26 -0.14 115.29 128.37 3hhf s HIS 158 Ca -0.06 1.10 -0.08 0.00 0.25 0.00 0.00 55.06 56.26 3hhf s HIS 158 Cb -0.15 -3.76 -0.05 0.00 -1.18 0.00 0.00 32.58 27.44 3hhf s HIS 158 CO 0.01 -2.42 -0.19 1.28 -0.65 0.00 0.00 174.74 172.77 3hhf n LEU 159 N 2.34 1.23 -3.61 8.88 4.77 0.39 -4.86 117.00 126.15 3hhf n LEU 159 Ca 0.06 0.20 -0.06 0.00 -0.03 0.00 0.00 56.01 56.19 3hhf n LEU 159 Cb 0.41 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 41.00 3hhf n LEU 159 CO 0.60 0.01 0.73 0.72 -1.33 0.00 0.00 177.39 178.12 3hhf s PHE 160 N -2.35 -0.24 -0.01 -1.77 -0.71 -1.18 -2.73 117.98 108.99 3hhf s PHE 160 Ca -0.19 0.04 0.02 0.00 -1.04 0.00 0.00 56.93 55.76 3hhf s PHE 160 Cb 0.06 0.58 -0.03 0.00 -1.21 0.00 0.00 43.02 42.42 3hhf s PHE 160 CO 0.25 -0.64 -0.06 -0.51 -1.34 0.00 0.00 175.22 172.92 3hhf s ASP 161 N -2.69 4.67 0.02 1.98 1.01 -1.26 -0.56 116.67 119.84 3hhf s ASP 161 Ca 0.09 -0.10 0.01 0.00 0.71 0.00 0.00 52.55 53.26 3hhf s ASP 161 Cb -0.01 -1.12 -0.01 0.00 1.01 0.00 0.00 42.92 42.79 3hhf s ASP 161 CO -0.04 0.30 -0.05 -0.94 0.21 0.00 0.00 175.17 174.65 3hhf s SER 162 N -1.28 0.58 0.25 0.27 1.04 -0.65 -4.92 113.70 109.00 3hhf s SER 162 Ca 0.16 -0.30 0.03 0.00 0.48 0.00 0.00 55.95 56.31 3hhf s SER 162 Cb -0.11 0.00 -0.03 0.00 0.10 0.00 0.00 66.02 65.98 3hhf s SER 162 CO 0.06 -0.09 0.40 -0.13 0.98 0.00 0.00 173.24 174.46 3hhf s ARG 163 N -0.82 3.46 0.31 4.02 0.52 -1.26 -0.62 118.95 124.56 3hhf s ARG 163 Ca -0.05 -0.58 -0.10 0.00 -0.52 0.00 0.00 55.73 54.48 3hhf s ARG 163 Cb -0.06 -2.84 -0.07 0.00 0.52 0.00 0.00 34.95 32.51 3hhf s ARG 163 CO -0.00 0.37 0.65 -0.06 0.02 0.00 0.00 175.30 176.28 3hhf s PHE 164 N -2.02 3.44 0.01 -0.53 0.40 -1.26 -1.03 117.98 116.99 3hhf s PHE 164 Ca 0.36 0.93 0.03 0.00 -0.60 0.00 0.00 56.93 57.66 3hhf s PHE 164 Cb -0.10 -2.33 -0.01 0.00 0.51 0.00 0.00 43.02 41.09 3hhf s PHE 164 CO 0.31 0.10 -0.11 1.03 0.70 0.00 0.00 175.22 177.25 3hhf s ARG 165 N -3.34 0.80 -0.22 0.44 0.52 -0.24 -4.87 118.95 112.04 3hhf s ARG 165 Ca 0.49 -0.50 -0.14 0.00 -0.52 0.00 0.00 55.73 55.05 3hhf s ARG 165 Cb -0.11 -0.76 -0.04 0.00 0.52 0.00 0.00 34.95 34.56 3hhf s ARG 165 CO 0.26 0.20 0.34 0.08 0.02 0.00 0.00 175.30 176.19 3hhf s VAL 166 N -0.52 5.24 0.07 3.52 1.01 -1.26 -1.71 120.40 126.74 3hhf s VAL 166 Ca 0.02 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.57 3hhf s VAL 166 Cb -0.05 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 3hhf s VAL 166 CO 0.00 0.27 -0.06 0.27 0.00 0.00 0.00 175.10 175.57 3hhf s ILE 167 N 1.32 0.55 0.08 2.22 -0.00 -0.32 0.42 121.20 125.48 3hhf s ILE 167 Ca 0.16 -1.53 -0.11 0.00 -0.00 0.00 0.00 60.65 59.16 3hhf s ILE 167 Cb -0.15 -1.17 0.01 0.00 -0.00 0.00 0.00 42.46 41.16 3hhf s ILE 167 CO 0.07 -0.67 0.26 0.00 -0.00 0.00 0.00 174.94 174.60 3hhf s ALA 168 N -2.66 -0.49 0.47 2.27 0.00 -0.86 -1.89 121.76 118.60 3hhf s ALA 168 Ca 0.01 -0.33 -0.21 0.00 0.00 0.00 0.00 51.96 51.43 3hhf s ALA 168 Cb -0.01 0.48 -0.08 0.00 0.00 0.00 0.00 23.12 23.50 3hhf s ALA 168 CO -0.03 -0.50 1.05 -1.54 0.00 0.00 0.00 175.76 174.74 3hhf s SER 169 N -2.60 6.37 0.44 0.00 1.04 -1.24 -0.26 113.70 117.45 3hhf s SER 169 Ca 0.01 1.99 0.20 0.00 0.48 0.00 0.00 55.95 58.63 3hhf s SER 169 Cb 0.02 -2.57 1.16 0.00 0.10 0.00 0.00 66.02 64.73 3hhf s SER 169 CO -0.09 -0.76 1.88 -0.65 0.98 0.00 0.00 173.24 174.60 3hhf h PRO 170 N 1.75 0.31 -0.43 4.02 0.11 -1.87 -1.74 132.00 134.16 3hhf h PRO 170 Ca -0.49 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.49 3hhf h PRO 170 Cb 1.22 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3hhf h PRO 170 CO 0.60 0.21 -0.14 0.93 -0.21 0.00 0.00 178.00 179.39 3hhf h GLU 171 N 0.32 0.86 -0.37 1.05 3.07 -1.93 -0.55 114.58 117.03 3hhf h GLU 171 Ca 0.43 -0.34 -0.04 0.00 -0.50 0.00 0.00 59.36 58.91 3hhf h GLU 171 Cb 1.19 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 3hhf h GLU 171 CO -0.13 0.98 0.08 -0.92 -1.40 0.00 0.00 179.01 177.62 3hhf h TYR 172 N 0.68 0.63 -0.13 4.33 5.03 -1.60 -2.70 116.97 123.21 3hhf h TYR 172 Ca 0.11 -0.08 -0.09 0.00 2.58 0.00 0.00 58.73 61.24 3hhf h TYR 172 Cb 0.68 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.78 3hhf h TYR 172 CO 0.05 0.63 -0.34 -0.07 -1.32 0.00 0.00 178.16 177.11 3hhf h LEU 173 N 0.45 0.27 -0.98 2.82 3.38 -1.33 0.12 115.31 120.04 3hhf h LEU 173 Ca 0.11 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3hhf h LEU 173 Cb 0.32 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3hhf h LEU 173 CO 0.00 0.60 -0.13 0.00 0.09 0.00 0.00 178.44 179.00 3hhf h ALA 174 N 1.42 1.15 0.00 1.53 0.00 -1.00 -0.10 119.26 122.26 3hhf h ALA 174 Ca 0.03 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 3hhf h ALA 174 Cb 0.71 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3hhf h ALA 174 CO 0.05 0.54 -1.58 1.63 0.00 0.00 0.00 179.25 179.90 3hhf n LYS 175 N -4.18 0.63 -0.00 0.00 5.02 -1.03 -4.53 118.16 114.07 3hhf n LYS 175 Ca 0.01 0.16 0.02 0.00 -2.02 0.00 0.00 58.31 56.48 3hhf n LYS 175 Cb 0.35 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 3hhf n LYS 175 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hhf n HIS 176 N -2.82 0.00 0.00 2.13 8.25 0.01 -5.11 115.22 117.68 3hhf n HIS 176 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 3hhf n HIS 176 Cb 0.85 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.92 3hhf n HIS 176 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hhf n GLY 177 N 1.47 -0.41 3.61 -1.41 0.00 -0.05 -4.97 105.19 103.43 3hhf n GLY 177 Ca 0.00 -1.68 -0.35 0.00 0.00 0.00 0.00 46.02 43.99 3hhf n GLY 177 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hhf s THR 178 N -2.61 4.75 0.11 2.61 2.01 -1.26 -4.63 115.64 116.63 3hhf s THR 178 Ca 0.00 -0.04 -0.31 0.00 0.31 0.00 0.00 61.69 61.65 3hhf s THR 178 Cb 0.00 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.28 3hhf s THR 178 CO 0.00 0.44 1.33 -2.16 -0.69 0.00 0.00 174.62 173.54 3hhf s PRO 179 N 0.55 4.36 -0.01 4.92 0.04 -1.26 -4.91 135.00 138.69 3hhf s PRO 179 Ca 0.03 1.99 0.20 0.00 0.04 0.00 0.00 61.00 63.27 3hhf s PRO 179 Cb -0.13 -3.26 -0.26 0.00 0.04 0.00 0.00 34.50 30.89 3hhf s PRO 179 CO 0.01 -0.36 0.67 1.04 0.04 0.00 0.00 177.00 178.40 3hhf n GLN 180 N 3.74 0.52 -4.26 4.56 1.13 -1.26 -4.53 117.38 117.28 3hhf n GLN 180 Ca 0.10 -0.08 -0.14 0.00 -1.94 0.00 0.00 57.00 54.94 3hhf n GLN 180 Cb 0.43 -1.46 -0.10 0.00 0.11 0.00 0.00 30.24 29.22 3hhf n GLN 180 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 3hhf s SER 181 N -3.53 1.13 0.22 1.08 1.04 -1.26 -5.00 113.70 107.38 3hhf s SER 181 Ca 0.01 -1.24 0.08 0.00 0.48 0.00 0.00 55.95 55.27 3hhf s SER 181 Cb 0.14 0.15 0.17 0.00 0.10 0.00 0.00 66.02 66.58 3hhf s SER 181 CO 0.83 -0.63 1.50 0.71 0.98 0.00 0.00 173.24 176.63 3hhf h THR 182 N 2.61 1.50 0.00 2.02 1.35 -1.93 -2.91 112.91 115.55 3hhf h THR 182 Ca -0.37 -2.45 -0.02 0.00 -0.55 0.00 0.00 66.41 63.02 3hhf h THR 182 Cb 1.22 2.32 -0.00 0.00 -1.73 0.00 0.00 68.15 69.96 3hhf h THR 182 CO 0.62 0.70 -0.11 -0.33 -0.25 0.00 0.00 175.52 176.15 3hhf h GLU 183 N 0.03 0.00 0.00 4.72 3.07 -1.97 -2.14 114.58 118.30 3hhf h GLU 183 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3hhf h GLU 183 Cb 1.30 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.21 3hhf h GLU 183 CO 0.10 0.11 0.00 0.39 -1.40 0.00 0.00 179.01 178.21 3hhf n GLU 184 N -3.73 0.15 0.27 2.33 1.02 -1.10 -2.99 120.64 116.59 3hhf n GLU 184 Ca -0.02 0.41 0.13 0.00 -0.02 0.00 0.00 57.16 57.66 3hhf n GLU 184 Cb 0.22 -1.80 0.77 0.00 -0.02 0.00 0.00 31.44 30.61 3hhf n GLU 184 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hhf h LEU 185 N 0.00 0.00 -1.84 -4.62 3.38 -1.52 -1.70 115.31 109.00 3hhf h LEU 185 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3hhf h LEU 185 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3hhf h LEU 185 CO 0.00 0.09 0.22 0.00 0.09 0.00 0.00 178.44 178.84 3hhf h ALA 186 N 1.91 2.05 -0.00 1.53 0.00 -1.75 -0.93 119.26 122.08 3hhf h ALA 186 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hhf h ALA 186 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hhf h ALA 186 CO 0.01 -0.12 -0.04 0.41 0.00 0.00 0.00 179.25 179.51 3hhf n GLY 187 N -1.54 -1.32 3.78 0.00 0.00 -0.64 -4.92 105.19 100.54 3hhf n GLY 187 Ca 0.04 -0.15 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 3hhf n GLY 187 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hhf s HIS 188 N -2.74 2.76 -0.51 1.61 4.02 -0.35 -5.08 115.29 115.00 3hhf s HIS 188 Ca 0.22 -0.38 -0.26 0.00 1.02 0.00 0.00 55.06 55.67 3hhf s HIS 188 Cb 0.20 -1.73 0.03 0.00 -1.02 0.00 0.00 32.58 30.05 3hhf s HIS 188 CO 0.50 0.26 0.98 -0.65 1.02 0.00 0.00 174.74 176.85 3hhf s GLN 189 N -3.91 3.48 -0.20 1.40 -0.21 -1.26 -4.98 119.66 113.97 3hhf s GLN 189 Ca 0.39 0.06 -0.07 0.00 0.02 0.00 0.00 55.36 55.77 3hhf s GLN 189 Cb -0.03 -3.98 -0.03 0.00 1.00 0.00 0.00 33.01 29.97 3hhf s GLN 189 CO 0.24 -1.38 0.05 0.00 -2.12 0.00 0.00 175.29 172.07 3hhf s LEU 191 N 0.74 4.10 0.00 0.00 1.43 -0.37 -0.06 118.68 124.53 3hhf s LEU 191 Ca 0.02 0.25 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 3hhf s LEU 191 Cb -0.14 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 3hhf s LEU 191 CO 0.02 0.29 0.19 0.61 0.23 0.00 0.00 176.35 177.70 3hhf n GLY 192 N 1.25 3.10 3.81 -3.19 0.00 -0.39 -4.62 105.19 105.15 3hhf n GLY 192 Ca -0.13 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 43.86 3hhf n GLY 192 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hhf s PHE 193 N -3.19 3.56 0.09 1.61 0.40 -1.26 -1.27 117.98 117.92 3hhf s PHE 193 Ca 0.19 1.51 -0.18 0.00 -0.60 0.00 0.00 56.93 57.86 3hhf s PHE 193 Cb 0.00 -2.73 -0.07 0.00 0.51 0.00 0.00 43.02 40.73 3hhf s PHE 193 CO 0.13 0.19 1.52 1.79 0.70 0.00 0.00 175.22 179.55 3hhf h THR 194 N 2.44 1.27 -1.94 0.64 1.35 -1.41 -3.43 112.91 111.83 3hhf h THR 194 Ca -0.48 -0.98 -0.04 0.00 -0.55 0.00 0.00 66.41 64.37 3hhf h THR 194 Cb 1.19 1.35 -0.20 0.00 -1.73 0.00 0.00 68.15 68.76 3hhf h THR 194 CO 0.65 0.31 0.23 -1.83 -0.25 0.00 0.00 175.52 174.63 3hhf s GLU 195 N -4.92 0.97 0.32 4.72 -1.05 -1.26 -4.51 118.70 112.97 3hhf s GLU 195 Ca -0.13 0.34 -0.27 0.00 -0.15 0.00 0.00 54.97 54.75 3hhf s GLU 195 Cb 0.08 0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 34.13 3hhf s GLU 195 CO 0.76 -0.28 1.04 -1.25 0.95 0.00 0.00 175.26 176.48 3hhf s PRO 196 N -0.98 4.49 0.53 -4.83 0.04 -1.26 -4.87 135.00 128.13 3hhf s PRO 196 Ca -0.08 1.61 0.32 0.00 0.04 0.00 0.00 61.00 62.89 3hhf s PRO 196 Cb -0.01 -2.93 1.32 0.00 0.04 0.00 0.00 34.50 32.93 3hhf s PRO 196 CO 0.08 0.13 1.97 0.78 0.04 0.00 0.00 177.00 180.00 3hhf h GLY 197 N 3.32 0.00 1.87 0.56 0.00 -1.87 -2.77 103.07 104.17 3hhf h GLY 197 Ca -0.47 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.87 3hhf h GLY 197 CO 0.65 0.00 0.05 1.48 0.00 0.00 0.00 176.54 178.72 3hhf h SER 198 N 0.00 0.00 1.16 0.19 4.64 -1.97 -0.92 113.55 116.65 3hhf h SER 198 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hhf h SER 198 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3hhf h SER 198 CO 0.01 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 175.90 3hhf h LEU 199 N 0.00 0.00 -0.21 5.97 3.38 -1.91 -3.02 115.31 119.51 3hhf h LEU 199 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hhf h LEU 199 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hhf h LEU 199 CO -0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 3hhf n ASN 200 N -2.53 0.33 -4.42 -0.43 3.02 -0.35 -4.36 115.26 106.51 3hhf n ASN 200 Ca 0.03 -1.30 -0.44 0.00 -0.03 0.00 0.00 54.58 52.83 3hhf n ASN 200 Cb 0.34 -0.01 -0.06 0.00 -0.61 0.00 0.00 39.78 39.44 3hhf n ASN 200 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hhf s THR 201 N -1.98 4.85 0.64 3.41 2.01 -1.14 -1.50 115.64 121.92 3hhf s THR 201 Ca 0.37 -0.68 -0.13 0.00 0.31 0.00 0.00 61.69 61.56 3hhf s THR 201 Cb 0.17 -4.38 -0.02 0.00 0.01 0.00 0.00 72.50 68.29 3hhf s THR 201 CO 0.29 -0.93 1.05 0.26 -0.69 0.00 0.00 174.62 174.59 3hhf s TRP 202 N 2.66 3.18 -0.23 4.92 0.52 0.69 -4.86 118.94 125.82 3hhf s TRP 202 Ca 0.14 1.43 -0.00 0.00 0.02 0.00 0.00 56.10 57.69 3hhf s TRP 202 Cb -0.21 -2.89 0.19 0.00 -1.15 0.00 0.00 33.47 29.41 3hhf s TRP 202 CO 0.10 -1.04 1.85 0.00 0.02 0.00 0.00 176.95 177.87 3hhf n ALA 203 N -2.61 4.58 -3.73 0.98 0.00 -1.26 -3.06 120.51 115.41 3hhf n ALA 203 Ca 0.08 -1.25 -0.32 0.00 0.00 0.00 0.00 53.44 51.95 3hhf n ALA 203 Cb 0.53 -1.26 -0.16 0.00 0.00 0.00 0.00 19.45 18.56 3hhf n ALA 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hhf s VAL 204 N -1.66 2.00 0.06 0.00 0.11 -1.26 0.46 120.40 120.10 3hhf s VAL 204 Ca 0.24 -0.94 -0.20 0.00 -2.93 0.00 0.00 61.98 58.15 3hhf s VAL 204 Cb 0.19 -1.78 -0.06 0.00 -1.53 0.00 0.00 36.38 33.20 3hhf s VAL 204 CO 0.01 0.54 0.59 -0.76 -3.33 0.00 0.00 175.10 172.14 3hhf s LEU 205 N 0.90 4.50 0.00 2.54 1.43 -0.04 -1.73 118.68 126.28 3hhf s LEU 205 Ca -0.05 1.26 -0.12 0.00 -1.03 0.00 0.00 54.13 54.19 3hhf s LEU 205 Cb -0.15 -2.93 0.16 0.00 0.03 0.00 0.00 46.19 43.30 3hhf s LEU 205 CO -0.03 0.22 0.92 -0.90 0.23 0.00 0.00 176.35 176.79 3hhf n ASP 206 N 1.98 0.04 0.15 2.29 5.68 0.24 -4.75 116.55 122.19 3hhf n ASP 206 Ca -0.09 -1.33 0.17 0.00 -0.50 0.00 0.00 54.79 53.05 3hhf n ASP 206 Cb 0.51 -0.70 0.77 0.00 -1.14 0.00 0.00 41.12 40.56 3hhf n ASP 206 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hhf h ALA 207 N -1.87 2.01 -0.01 2.12 0.00 -1.98 0.28 119.26 119.82 3hhf h ALA 207 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hhf h ALA 207 Cb 0.82 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 3hhf h ALA 207 CO 0.21 -0.38 -0.29 1.04 0.00 0.00 0.00 179.25 179.83 3hhf n GLN 208 N -3.99 0.89 -0.77 0.00 3.00 -1.26 -4.95 117.38 110.31 3hhf n GLN 208 Ca 0.04 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 3hhf n GLN 208 Cb 0.39 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.15 3hhf n GLN 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hhf n GLY 209 N 1.35 0.90 3.51 1.08 0.00 0.09 -5.08 105.19 107.04 3hhf n GLY 209 Ca 0.12 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.28 3hhf n GLY 209 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hhf s ASN 210 N -2.52 4.45 0.25 1.61 0.01 -1.26 -4.80 114.94 112.68 3hhf s ASN 210 Ca 0.00 -0.12 -0.31 0.00 -0.71 0.00 0.00 52.86 51.72 3hhf s ASN 210 Cb 0.00 -1.29 -0.14 0.00 0.41 0.00 0.00 41.25 40.23 3hhf s ASN 210 CO 0.00 0.29 1.33 -2.65 -1.51 0.00 0.00 177.10 174.56 3hhf n PRO 211 N 2.69 1.88 -2.98 -0.60 -0.02 -1.26 -0.59 135.00 134.12 3hhf n PRO 211 Ca -0.18 0.67 -0.41 0.00 -2.02 0.00 0.00 63.50 61.56 3hhf n PRO 211 Cb 0.53 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.68 3hhf n PRO 211 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 3hhf s TYR 212 N -0.29 3.25 -0.18 6.00 5.04 -0.70 -4.80 117.35 125.67 3hhf s TYR 212 Ca 0.66 0.88 -0.23 0.00 -2.44 0.00 0.00 57.07 55.95 3hhf s TYR 212 Cb -0.67 -3.08 -0.02 0.00 0.35 0.00 0.00 41.96 38.54 3hhf s TYR 212 CO 0.52 -0.46 0.71 0.21 -1.34 0.00 0.00 175.55 175.19 3hhf s LYS 213 N 2.80 4.26 0.38 4.97 2.20 -1.26 -0.22 119.74 132.87 3hhf s LYS 213 Ca 0.31 0.79 0.01 0.00 -0.36 0.00 0.00 55.97 56.72 3hhf s LYS 213 Cb -0.15 -3.57 -0.02 0.00 -1.51 0.00 0.00 37.83 32.58 3hhf s LYS 213 CO 0.10 -0.26 0.58 0.96 -0.36 0.00 0.00 175.35 176.37 3hhf s ILE 214 N 1.95 4.63 -0.49 5.43 -4.36 -0.56 -4.98 121.20 122.82 3hhf s ILE 214 Ca 0.33 -0.54 -0.09 0.00 -0.26 0.00 0.00 60.65 60.09 3hhf s ILE 214 Cb -0.16 -3.69 0.13 0.00 1.25 0.00 0.00 42.46 39.99 3hhf s ILE 214 CO 0.11 -0.44 0.37 -0.44 0.24 0.00 0.00 174.94 174.78 3hhf s SER 215 N -4.11 5.73 0.28 4.36 0.01 -1.26 -4.93 113.70 113.78 3hhf s SER 215 Ca 0.43 -1.98 -0.30 0.00 1.31 0.00 0.00 55.95 55.41 3hhf s SER 215 Cb -0.10 -2.01 -0.11 0.00 0.21 0.00 0.00 66.02 64.01 3hhf s SER 215 CO 0.36 -0.68 1.58 -2.16 0.41 0.00 0.00 173.24 172.75 3hhf s PRO 216 N 1.26 4.14 -0.11 12.44 0.04 -1.26 -4.69 135.00 146.82 3hhf s PRO 216 Ca 0.07 2.54 -0.08 0.00 0.04 0.00 0.00 61.00 63.57 3hhf s PRO 216 Cb -0.25 -3.04 -0.07 0.00 0.04 0.00 0.00 34.50 31.17 3hhf s PRO 216 CO -0.01 -0.61 0.23 1.25 0.04 0.00 0.00 177.00 177.89 3hhf h HIS 217 N 4.99 -0.01 -3.05 0.56 2.76 -0.84 -3.46 115.15 116.10 3hhf h HIS 217 Ca -0.47 -0.00 -0.62 0.00 -2.20 0.00 0.00 60.37 57.08 3hhf h HIS 217 Cb 1.22 0.00 -0.07 0.00 1.55 0.00 0.00 27.41 30.11 3hhf h HIS 217 CO 0.59 0.27 -0.57 -0.06 -1.30 0.00 0.00 177.93 176.86 3hhf s PHE 218 N -1.78 3.28 0.24 5.26 0.08 -1.26 -5.04 117.98 118.76 3hhf s PHE 218 Ca -0.05 0.11 0.09 0.00 0.12 0.00 0.00 56.93 57.20 3hhf s PHE 218 Cb -0.01 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.75 3hhf s PHE 218 CO 0.20 0.54 -0.16 0.95 -0.10 0.00 0.00 175.22 176.64 3hhf s THR 219 N -1.46 2.05 0.09 0.64 -4.23 -1.26 -1.26 115.64 110.21 3hhf s THR 219 Ca 0.31 -2.29 -0.17 0.00 -1.18 0.00 0.00 61.69 58.36 3hhf s THR 219 Cb -0.12 -2.19 0.03 0.00 1.34 0.00 0.00 72.50 71.56 3hhf s THR 219 CO 0.24 -0.49 0.40 0.00 -0.54 0.00 0.00 174.62 174.23 3hhf s ALA 220 N -2.77 -0.95 -1.36 3.99 0.00 -0.40 -4.83 121.76 115.44 3hhf s ALA 220 Ca 0.26 0.08 0.26 0.00 0.00 0.00 0.00 51.96 52.57 3hhf s ALA 220 Cb -0.02 0.55 0.77 0.00 0.00 0.00 0.00 23.12 24.42 3hhf s ALA 220 CO 0.11 -0.57 1.58 -1.13 0.00 0.00 0.00 175.76 175.75 3hhf n SER 221 N 0.06 0.63 -3.92 0.00 3.41 -1.26 -1.04 113.62 111.50 3hhf n SER 221 Ca -0.17 -0.45 -0.12 0.00 -0.26 0.00 0.00 58.87 57.87 3hhf n SER 221 Cb 0.62 0.10 -0.13 0.00 -0.26 0.00 0.00 64.21 64.53 3hhf n SER 221 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3hhf s SER 222 N -2.75 0.21 0.57 4.04 0.15 -1.26 -4.93 113.70 109.72 3hhf s SER 222 Ca 0.19 -0.16 0.25 0.00 0.70 0.00 0.00 55.95 56.93 3hhf s SER 222 Cb 0.19 0.01 1.59 0.00 -1.71 0.00 0.00 66.02 66.10 3hhf s SER 222 CO 0.59 -0.06 2.18 1.23 1.20 0.00 0.00 173.24 178.37 3hhf h GLY 223 N 5.71 0.00 1.47 9.45 0.00 -1.99 -2.40 103.07 115.31 3hhf h GLY 223 Ca -0.27 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.93 3hhf h GLY 223 CO 0.48 0.00 -0.40 -2.09 0.00 0.00 0.00 176.54 174.53 3hhf h GLU 224 N 0.00 0.58 -0.32 4.80 4.57 -1.99 -1.36 114.58 120.85 3hhf h GLU 224 Ca 0.03 -0.30 -0.16 0.00 -1.18 0.00 0.00 59.36 57.76 3hhf h GLU 224 Cb 0.17 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3hhf h GLU 224 CO -0.00 0.88 -0.41 0.82 -1.18 0.00 0.00 179.01 179.12 3hhf h ILE 225 N 0.48 1.28 -0.95 2.32 2.04 -1.86 -2.69 117.51 118.12 3hhf h ILE 225 Ca 0.04 -1.59 0.00 0.00 1.00 0.00 0.00 64.86 64.31 3hhf h ILE 225 Cb 0.90 1.53 -0.05 0.00 -0.74 0.00 0.00 36.82 38.47 3hhf h ILE 225 CO 0.08 0.52 0.60 -0.07 0.00 0.00 0.00 178.15 179.28 3hhf h LEU 226 N 0.64 1.12 -0.50 1.44 3.38 -1.30 -1.29 115.31 118.80 3hhf h LEU 226 Ca 0.04 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hhf h LEU 226 Cb 1.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.45 3hhf h LEU 226 CO 0.10 0.84 0.32 -0.09 0.09 0.00 0.00 178.44 179.70 3hhf h ARG 227 N 1.30 0.63 -0.36 1.13 2.43 -1.17 -0.63 114.38 117.71 3hhf h ARG 227 Ca 0.35 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 3hhf h ARG 227 Cb -0.10 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.29 3hhf h ARG 227 CO -0.07 0.42 0.07 0.77 -1.51 0.00 0.00 179.97 179.65 3hhf h SER 228 N 0.65 0.57 -0.74 -3.80 0.02 -1.12 0.64 113.55 109.77 3hhf h SER 228 Ca 0.19 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3hhf h SER 228 Cb -0.04 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.30 3hhf h SER 228 CO -0.06 0.67 0.46 -0.07 -1.14 0.00 0.00 176.83 176.69 3hhf h LEU 229 N 0.44 0.75 -0.23 5.07 3.38 -1.17 -1.45 115.31 122.10 3hhf h LEU 229 Ca 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hhf h LEU 229 Cb 0.34 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hhf h LEU 229 CO 0.01 0.51 0.10 0.00 0.09 0.00 0.00 178.44 179.14 3hhf h LEU 231 N 0.23 0.67 -1.37 0.00 3.38 -0.63 -1.98 115.31 115.61 3hhf h LEU 231 Ca 0.08 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3hhf h LEU 231 Cb 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hhf h LEU 231 CO -0.01 0.38 0.00 -1.54 0.09 0.00 0.00 178.44 177.36 3hhf n SER 232 N -4.52 1.99 -0.01 -0.43 3.41 -0.57 -4.88 113.62 108.61 3hhf n SER 232 Ca 0.15 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.76 3hhf n SER 232 Cb 0.37 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 3hhf n SER 232 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hhf n GLY 233 N 1.09 0.77 0.05 5.00 0.00 -0.74 -4.97 105.19 106.40 3hhf n GLY 233 Ca 0.13 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.60 3hhf n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhf n GLY 235 N 1.37 0.25 3.80 0.00 0.00 -1.26 -4.85 105.19 104.49 3hhf n GLY 235 Ca 0.04 -1.52 -0.37 0.00 0.00 0.00 0.00 46.02 44.17 3hhf n GLY 235 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hhf s ILE 236 N -2.97 5.35 0.25 -0.61 1.01 0.54 -4.56 121.20 120.21 3hhf s ILE 236 Ca 0.00 0.41 0.04 0.00 0.00 0.00 0.00 60.65 61.10 3hhf s ILE 236 Cb 0.00 -3.53 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 3hhf s ILE 236 CO 0.00 0.51 -0.01 0.68 0.00 0.00 0.00 174.94 176.12 3hhf s VAL 237 N -0.33 1.16 -0.22 2.92 -7.23 -0.79 -1.23 120.40 114.68 3hhf s VAL 237 Ca 0.16 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.28 3hhf s VAL 237 Cb -0.13 -2.40 0.05 0.00 0.56 0.00 0.00 36.38 34.46 3hhf s VAL 237 CO 0.04 -0.29 -0.07 0.00 -0.31 0.00 0.00 175.10 174.47 3hhf s LEU 239 N 1.41 2.30 0.44 0.00 1.43 -0.70 -4.93 118.68 118.63 3hhf s LEU 239 Ca -0.04 -1.07 -0.25 0.00 -1.03 0.00 0.00 54.13 51.75 3hhf s LEU 239 Cb -0.18 0.10 -0.08 0.00 0.03 0.00 0.00 46.19 46.06 3hhf s LEU 239 CO -0.07 -0.58 1.30 -0.44 0.23 0.00 0.00 176.35 176.79 3hhf s SER 240 N -3.02 6.06 0.24 2.29 0.01 -1.26 -1.08 113.70 116.94 3hhf s SER 240 Ca 0.14 2.63 -0.05 0.00 1.31 0.00 0.00 55.95 59.99 3hhf s SER 240 Cb 0.07 -2.63 0.42 0.00 0.21 0.00 0.00 66.02 64.08 3hhf s SER 240 CO -0.04 -1.02 1.76 -2.24 0.41 0.00 0.00 173.24 172.12 3hhf h ASP 241 N 2.31 0.44 0.45 2.44 3.04 -1.42 -1.66 116.42 122.02 3hhf h ASP 241 Ca -0.50 0.08 -0.00 0.00 -3.24 0.00 0.00 57.03 53.37 3hhf h ASP 241 Cb 1.26 0.01 -0.00 0.00 -1.04 0.00 0.00 39.33 39.56 3hhf h ASP 241 CO 0.61 0.22 -0.01 2.19 -2.04 0.00 0.00 179.24 180.21 3hhf h PHE 242 N 0.58 0.00 0.06 4.15 -0.00 -1.91 0.19 116.94 120.00 3hhf h PHE 242 Ca 0.40 0.00 -0.25 0.00 -0.00 0.00 0.00 57.97 58.12 3hhf h PHE 242 Cb 0.50 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.44 3hhf h PHE 242 CO -0.12 0.01 -1.15 1.25 -0.00 0.00 0.00 178.31 178.30 3hhf h LEU 243 N 0.00 0.21 -0.01 2.10 5.85 -1.67 -3.40 115.31 118.39 3hhf h LEU 243 Ca -0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3hhf h LEU 243 Cb 0.23 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.20 3hhf h LEU 243 CO 0.00 1.18 -0.02 1.33 -0.34 0.00 0.00 178.44 180.59 3hhf n VAL 244 N -3.43 0.00 -0.25 1.05 0.24 -0.84 -4.79 118.33 110.31 3hhf n VAL 244 Ca -0.05 -0.49 -0.01 0.00 -2.04 0.00 0.00 64.34 61.75 3hhf n VAL 244 Cb 0.99 1.00 0.20 0.00 -1.47 0.00 0.00 33.84 34.55 3hhf n VAL 244 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3hhf h ASP 245 N 0.00 0.94 0.25 -1.34 5.19 -0.88 -0.84 116.42 119.75 3hhf h ASP 245 Ca 0.00 -0.05 -0.15 0.00 -0.62 0.00 0.00 57.03 56.21 3hhf h ASP 245 Cb 0.01 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.27 3hhf h ASP 245 CO 0.00 0.71 -0.59 -1.13 -3.12 0.00 0.00 179.24 175.12 3hhf h ASN 246 N 1.09 0.38 -0.70 6.45 -1.24 -1.86 -1.27 115.58 118.43 3hhf h ASN 246 Ca 0.29 -0.21 -0.03 0.00 0.71 0.00 0.00 56.30 57.05 3hhf h ASN 246 Cb -0.06 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 38.85 3hhf h ASN 246 CO -0.06 0.88 0.33 0.44 -1.29 0.00 0.00 177.43 177.74 3hhf h ASP 247 N 0.26 0.92 -0.28 1.15 3.32 -1.71 -0.73 116.42 119.35 3hhf h ASP 247 Ca -0.00 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3hhf h ASP 247 Cb 1.10 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.40 3hhf h ASP 247 CO 0.10 0.80 0.14 0.40 -1.72 0.00 0.00 179.24 178.95 3hhf h ILE 248 N 0.97 1.15 -0.70 0.35 2.04 -0.97 0.20 117.51 120.55 3hhf h ILE 248 Ca 0.24 -0.42 0.02 0.00 1.00 0.00 0.00 64.86 65.70 3hhf h ILE 248 Cb 0.13 0.91 -0.04 0.00 -0.74 0.00 0.00 36.82 37.08 3hhf h ILE 248 CO -0.03 0.15 0.46 0.00 0.00 0.00 0.00 178.15 178.73 3hhf h ALA 249 N 1.00 1.55 -0.00 1.87 0.00 -1.09 -1.87 119.26 120.72 3hhf h ALA 249 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hhf h ALA 249 Cb 0.11 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3hhf h ALA 249 CO -0.01 0.39 -0.03 0.39 0.00 0.00 0.00 179.25 179.99 3hhf n GLU 250 N -4.44 0.85 -1.05 0.00 -0.58 -0.29 -4.92 120.64 110.20 3hhf n GLU 250 Ca 0.08 -0.16 -0.02 0.00 -0.42 0.00 0.00 57.16 56.64 3hhf n GLU 250 Cb 0.08 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.45 3hhf n GLU 250 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3hhf n GLY 251 N 1.16 0.52 0.16 0.62 0.00 -0.69 -4.91 105.19 102.05 3hhf n GLY 251 Ca 0.19 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.97 3hhf n GLY 251 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hhf h LYS 252 N 0.48 0.00 -5.17 1.61 1.57 -0.86 -3.45 116.57 110.75 3hhf h LYS 252 Ca -0.04 0.00 -0.38 0.00 -1.87 0.00 0.00 60.65 58.36 3hhf h LYS 252 Cb 0.25 0.00 -0.21 0.00 0.08 0.00 0.00 32.23 32.34 3hhf h LYS 252 CO 0.05 0.08 -0.77 -0.51 -0.57 0.00 0.00 179.45 177.73 3hhf s LEU 253 N -5.85 2.28 -0.14 2.94 1.43 -1.09 -4.33 118.68 113.93 3hhf s LEU 253 Ca 0.03 -0.61 0.02 0.00 -1.03 0.00 0.00 54.13 52.54 3hhf s LEU 253 Cb 0.07 -0.43 0.01 0.00 0.03 0.00 0.00 46.19 45.87 3hhf s LEU 253 CO 0.74 -0.11 -0.20 -0.63 0.23 0.00 0.00 176.35 176.38 3hhf s ILE 254 N -1.34 2.23 0.14 -0.59 -1.09 0.64 -4.19 121.20 117.00 3hhf s ILE 254 Ca -0.03 -0.92 -0.30 0.00 -2.23 0.00 0.00 60.65 57.16 3hhf s ILE 254 Cb -0.10 -1.90 -0.07 0.00 -1.58 0.00 0.00 42.46 38.81 3hhf s ILE 254 CO 0.02 0.54 1.18 -2.16 -1.23 0.00 0.00 174.94 173.29 3hhf s PRO 255 N 0.76 4.48 0.18 2.79 0.04 -1.26 -2.03 135.00 139.96 3hhf s PRO 255 Ca -0.08 1.81 0.07 0.00 0.04 0.00 0.00 61.00 62.85 3hhf s PRO 255 Cb -0.16 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.06 3hhf s PRO 255 CO -0.00 -0.13 -0.00 -0.51 0.04 0.00 0.00 177.00 176.40 3hhf s LEU 256 N 0.24 3.31 -1.48 -3.56 1.43 0.17 -4.76 118.68 114.02 3hhf s LEU 256 Ca 0.55 -0.41 -0.04 0.00 -1.03 0.00 0.00 54.13 53.20 3hhf s LEU 256 Cb -0.31 -1.95 0.04 0.00 0.03 0.00 0.00 46.19 43.99 3hhf s LEU 256 CO 0.33 0.09 0.47 0.18 0.23 0.00 0.00 176.35 177.65 3hhf n LEU 257 N -0.15 -2.02 -0.30 1.79 4.77 -1.26 -4.43 117.00 115.40 3hhf n LEU 257 Ca -0.10 -1.03 -0.05 0.00 -0.03 0.00 0.00 56.01 54.81 3hhf n LEU 257 Cb 0.55 -2.15 0.07 0.00 -2.33 0.00 0.00 43.42 39.56 3hhf n LEU 257 CO 0.39 0.41 1.11 0.00 -1.33 0.00 0.00 177.39 177.96 3hhf h ALA 258 N 0.85 1.05 -0.50 -1.18 0.00 -1.94 -1.63 119.26 115.91 3hhf h ALA 258 Ca -0.62 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.03 3hhf h ALA 258 Cb 1.38 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3hhf h ALA 258 CO 0.67 0.60 -0.11 0.93 0.00 0.00 0.00 179.25 181.33 3hhf h GLU 259 N 1.15 0.92 0.00 0.00 5.08 -2.01 -2.67 114.58 117.05 3hhf h GLU 259 Ca 0.28 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3hhf h GLU 259 Cb 0.10 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3hhf h GLU 259 CO -0.04 0.98 0.00 1.96 -1.00 0.00 0.00 179.01 180.91 3hhf h GLN 260 N 0.82 0.00 -6.51 2.33 7.50 -1.77 -3.45 115.11 114.03 3hhf h GLN 260 Ca 0.13 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.75 3hhf h GLN 260 Cb 0.65 0.00 -0.00 0.00 0.05 0.00 0.00 27.48 28.17 3hhf h GLN 260 CO 0.04 0.00 0.47 0.99 -1.50 0.00 0.00 178.83 178.84 3hhf s THR 261 N -3.23 4.27 0.19 -0.54 2.01 -0.66 -0.86 115.64 116.81 3hhf s THR 261 Ca 0.07 1.71 -0.32 0.00 0.31 0.00 0.00 61.69 63.46 3hhf s THR 261 Cb 0.10 -4.09 -0.11 0.00 0.01 0.00 0.00 72.50 68.41 3hhf s THR 261 CO 0.53 0.18 1.68 -0.55 -0.69 0.00 0.00 174.62 175.76 3hhf s SER 262 N 0.71 6.45 0.12 3.53 0.15 0.17 -4.91 113.70 119.92 3hhf s SER 262 Ca 0.54 2.78 0.27 0.00 0.70 0.00 0.00 55.95 60.24 3hhf s SER 262 Cb -0.27 -2.60 0.92 0.00 -1.71 0.00 0.00 66.02 62.37 3hhf s SER 262 CO 0.30 -0.93 1.78 -0.90 1.20 0.00 0.00 173.24 174.69 3hhf n ASP 263 N 4.11 0.49 -4.71 5.45 5.75 -1.26 -4.63 116.55 121.76 3hhf n ASP 263 Ca 0.15 0.47 -0.40 0.00 -0.01 0.00 0.00 54.79 55.00 3hhf n ASP 263 Cb 0.36 -0.56 0.02 0.00 -1.03 0.00 0.00 41.12 39.91 3hhf n ASP 263 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hhf n LYS 264 N -1.93 1.88 -4.20 0.11 5.02 -1.26 -4.91 118.16 112.87 3hhf n LYS 264 Ca 0.06 0.67 -0.23 0.00 -2.02 0.00 0.00 58.31 56.79 3hhf n LYS 264 Cb 0.39 -2.41 -0.06 0.00 -0.02 0.00 0.00 35.03 32.93 3hhf n LYS 264 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3hhf s THR 265 N -1.22 3.97 -0.03 -0.18 -4.23 -1.26 -4.50 115.64 108.19 3hhf s THR 265 Ca 0.63 -1.60 0.07 0.00 -1.18 0.00 0.00 61.69 59.61 3hhf s THR 265 Cb -0.49 -3.12 -0.01 0.00 1.34 0.00 0.00 72.50 70.22 3hhf s THR 265 CO 0.56 -0.32 -0.24 -1.38 -0.54 0.00 0.00 174.62 172.70 3hhf s HIS 266 N -2.15 2.18 0.37 3.99 -3.43 0.21 -4.88 115.29 111.56 3hhf s HIS 266 Ca 0.32 -0.50 -0.24 0.00 -0.80 0.00 0.00 55.06 53.83 3hhf s HIS 266 Cb -0.08 -1.42 -0.10 0.00 -1.43 0.00 0.00 32.58 29.56 3hhf s HIS 266 CO 0.22 -0.10 0.95 -1.25 -2.00 0.00 0.00 174.74 172.56 3hhf s PRO 267 N -0.39 4.44 -0.08 -0.38 0.04 -1.26 -1.63 135.00 135.74 3hhf s PRO 267 Ca 0.04 1.26 0.03 0.00 0.04 0.00 0.00 61.00 62.37 3hhf s PRO 267 Cb -0.11 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 3hhf s PRO 267 CO 0.01 0.15 -0.16 -0.06 0.04 0.00 0.00 177.00 176.98 3hhf s PHE 268 N -1.83 2.69 0.12 0.56 0.08 0.28 -4.45 117.98 115.44 3hhf s PHE 268 Ca 0.55 -0.44 0.07 0.00 0.12 0.00 0.00 56.93 57.23 3hhf s PHE 268 Cb -0.15 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.56 3hhf s PHE 268 CO 0.20 -0.04 -0.18 -0.80 -0.10 0.00 0.00 175.22 174.30 3hhf s ASN 269 N -0.22 2.35 -0.27 1.36 0.01 0.09 -0.46 114.94 117.80 3hhf s ASN 269 Ca 0.00 -0.75 -0.20 0.00 -0.71 0.00 0.00 52.86 51.20 3hhf s ASN 269 Cb -0.13 -0.12 -0.02 0.00 0.41 0.00 0.00 41.25 41.39 3hhf s ASN 269 CO 0.03 -0.03 0.61 0.00 -1.51 0.00 0.00 177.10 176.20 3hhf s ALA 270 N -1.62 3.59 -0.07 0.60 0.00 0.80 -0.80 121.76 124.27 3hhf s ALA 270 Ca 0.08 -0.52 0.02 0.00 0.00 0.00 0.00 51.96 51.55 3hhf s ALA 270 Cb -0.08 -3.02 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3hhf s ALA 270 CO 0.04 -0.85 -0.12 0.08 0.00 0.00 0.00 175.76 174.91 3hhf s VAL 271 N 2.49 3.25 0.01 0.00 1.01 0.18 -0.64 120.40 126.70 3hhf s VAL 271 Ca 0.25 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.30 3hhf s VAL 271 Cb -0.15 -2.30 0.10 0.00 0.00 0.00 0.00 36.38 34.02 3hhf s VAL 271 CO 0.09 0.58 0.87 -0.72 0.00 0.00 0.00 175.10 175.93 3hhf s TYR 272 N -0.59 -0.35 0.32 5.22 1.13 -0.70 -0.96 117.35 121.42 3hhf s TYR 272 Ca 0.09 0.21 -0.27 0.00 -1.41 0.00 0.00 57.07 55.68 3hhf s TYR 272 Cb -0.11 0.54 -0.09 0.00 -1.10 0.00 0.00 41.96 41.19 3hhf s TYR 272 CO 0.01 -0.57 1.04 0.71 -2.51 0.00 0.00 175.55 174.24 3hhf s TYR 273 N -3.16 3.56 0.24 -3.49 1.51 -1.26 0.31 117.35 115.06 3hhf s TYR 273 Ca 0.05 1.73 -0.05 0.00 -1.01 0.00 0.00 57.07 57.78 3hhf s TYR 273 Cb -0.01 -3.14 0.38 0.00 -0.11 0.00 0.00 41.96 39.07 3hhf s TYR 273 CO -0.09 -0.32 1.79 0.77 -1.11 0.00 0.00 175.55 176.59 3hhf h SER 274 N 3.39 0.54 -0.22 2.29 0.02 -1.95 -2.33 113.55 115.29 3hhf h SER 274 Ca -0.47 0.06 0.06 0.00 -0.84 0.00 0.00 61.79 60.61 3hhf h SER 274 Cb 1.21 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 3hhf h SER 274 CO 0.65 0.30 0.17 -2.24 -1.14 0.00 0.00 176.83 174.57 3hhf h ASP 275 N 0.66 0.00 0.39 3.07 2.03 -1.98 0.19 116.42 120.79 3hhf h ASP 275 Ca 0.38 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.68 3hhf h ASP 275 Cb 0.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 3hhf h ASP 275 CO -0.27 0.00 -0.07 0.29 -1.03 0.00 0.00 179.24 178.16 3hhf n LYS 276 N -4.39 0.65 0.27 4.15 5.02 -0.88 -3.30 118.16 119.69 3hhf n LYS 276 Ca 0.02 -0.15 0.16 0.00 -2.02 0.00 0.00 58.31 56.32 3hhf n LYS 276 Cb 0.31 -1.50 0.70 0.00 -0.02 0.00 0.00 35.03 34.53 3hhf n LYS 276 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hhf h ALA 277 N 3.60 1.02 -0.89 7.82 0.00 -0.99 -3.11 119.26 126.70 3hhf h ALA 277 Ca 0.00 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.03 3hhf h ALA 277 Cb 0.31 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 3hhf h ALA 277 CO 0.00 0.05 0.48 0.28 0.00 0.00 0.00 179.25 180.06 3hhf h VAL 278 N 0.00 0.71 -2.94 0.00 2.07 -1.71 -3.42 116.25 110.96 3hhf h VAL 278 Ca -0.00 -0.22 -0.54 0.00 0.82 0.00 0.00 66.70 66.76 3hhf h VAL 278 Cb 0.49 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3hhf h VAL 278 CO 0.01 0.12 0.79 0.54 0.02 0.00 0.00 177.57 179.04 3hhf s ASN 279 N -5.42 6.83 0.22 0.57 4.22 -1.18 -4.93 114.94 115.26 3hhf s ASN 279 Ca -0.12 2.23 -0.08 0.00 -2.14 0.00 0.00 52.86 52.74 3hhf s ASN 279 Cb 0.23 -2.57 0.19 0.00 1.28 0.00 0.00 41.25 40.38 3hhf s ASN 279 CO 0.79 -0.69 1.88 0.25 -2.04 0.00 0.00 177.10 177.28 3hhf h LEU 280 N 7.64 1.01 -1.43 3.54 5.85 -1.91 -2.90 115.31 127.10 3hhf h LEU 280 Ca -0.40 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 3hhf h LEU 280 Cb 1.19 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 3hhf h LEU 280 CO 0.88 0.76 -0.14 0.08 -0.34 0.00 0.00 178.44 179.69 3hhf h ARG 281 N 1.16 0.20 -0.32 1.25 0.11 -1.91 0.63 114.38 115.50 3hhf h ARG 281 Ca 0.31 -0.05 -0.15 0.00 0.10 0.00 0.00 59.98 60.19 3hhf h ARG 281 Cb -0.07 -0.03 -0.00 0.00 1.11 0.00 0.00 29.97 30.98 3hhf h ARG 281 CO -0.06 0.35 -0.39 1.25 0.10 0.00 0.00 179.97 181.22 3hhf h LEU 282 N 0.19 0.89 -0.42 0.08 6.46 -1.85 -2.23 115.31 118.43 3hhf h LEU 282 Ca 0.04 -0.49 -0.09 0.00 -0.12 0.00 0.00 57.88 57.22 3hhf h LEU 282 Cb 0.37 -0.25 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 3hhf h LEU 282 CO 0.02 1.20 -0.10 0.03 -0.62 0.00 0.00 178.44 178.97 3hhf h ARG 283 N 0.60 0.80 -0.13 1.25 3.08 -1.19 0.83 114.38 119.62 3hhf h ARG 283 Ca 0.04 -0.31 -0.13 0.00 0.07 0.00 0.00 59.98 59.66 3hhf h ARG 283 Cb 0.98 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 3hhf h ARG 283 CO 0.09 0.93 -0.48 -0.39 -1.07 0.00 0.00 179.97 179.05 3hhf h VAL 284 N 0.63 1.33 -0.18 2.04 -1.51 -0.98 0.95 116.25 118.52 3hhf h VAL 284 Ca 0.11 -1.70 -0.03 0.00 -1.23 0.00 0.00 66.70 63.85 3hhf h VAL 284 Cb 0.63 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.54 3hhf h VAL 284 CO 0.04 0.51 -0.01 0.15 -1.23 0.00 0.00 177.57 177.04 3hhf h PHE 285 N 0.27 0.36 -0.02 5.19 3.57 -1.28 -1.26 116.94 123.78 3hhf h PHE 285 Ca 0.01 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.47 3hhf h PHE 285 Cb 0.95 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.58 3hhf h PHE 285 CO 0.02 0.55 -0.08 1.25 -2.23 0.00 0.00 178.31 177.82 3hhf h LEU 286 N 0.08 -0.24 -0.47 0.59 5.85 -0.72 -0.14 115.31 120.26 3hhf h LEU 286 Ca 0.05 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.88 3hhf h LEU 286 Cb 0.41 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 3hhf h LEU 286 CO 0.01 -0.12 0.13 0.44 -0.34 0.00 0.00 178.44 178.56 3hhf h ASP 287 N -0.14 0.10 -0.58 1.25 5.19 -0.82 -1.00 116.42 120.42 3hhf h ASP 287 Ca 0.04 0.07 0.04 0.00 -0.62 0.00 0.00 57.03 56.56 3hhf h ASP 287 Cb 0.19 0.07 -0.04 0.00 0.18 0.00 0.00 39.33 39.73 3hhf h ASP 287 CO -0.10 0.08 0.33 0.15 -3.12 0.00 0.00 179.24 176.59 3hhf h PHE 288 N 0.29 0.61 -0.41 4.55 3.57 -0.97 -2.46 116.94 122.12 3hhf h PHE 288 Ca 0.23 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.64 3hhf h PHE 288 Cb 0.26 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3hhf h PHE 288 CO -0.18 0.32 -0.19 1.25 -2.23 0.00 0.00 178.31 177.28 3hhf h LEU 289 N 0.64 0.80 -0.72 0.59 5.85 -0.22 -1.69 115.31 120.56 3hhf h LEU 289 Ca 0.25 -0.27 -0.13 0.00 0.84 0.00 0.00 57.88 58.57 3hhf h LEU 289 Cb 0.10 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3hhf h LEU 289 CO -0.14 0.98 -0.40 0.58 -0.34 0.00 0.00 178.44 179.12 3hhf h VAL 290 N 0.70 1.30 0.61 1.05 2.07 -1.06 -1.38 116.25 119.55 3hhf h VAL 290 Ca 0.10 -1.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.03 3hhf h VAL 290 Cb 0.69 1.57 0.01 0.00 -1.52 0.00 0.00 31.29 32.04 3hhf h VAL 290 CO 0.05 0.49 -0.30 -0.33 0.02 0.00 0.00 177.57 177.50 3hhf h GLU 291 N 0.42 -0.80 -0.09 1.57 5.08 -1.16 -2.36 114.58 117.24 3hhf h GLU 291 Ca 0.04 0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.27 3hhf h GLU 291 Cb 0.89 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 3hhf h GLU 291 CO 0.08 -0.48 -0.70 0.93 -1.00 0.00 0.00 179.01 177.83 3hhf h GLU 292 N -1.04 0.42 0.18 2.33 4.39 -1.34 -3.29 114.58 116.24 3hhf h GLU 292 Ca -0.08 -0.33 -0.35 0.00 0.34 0.00 0.00 59.36 58.94 3hhf h GLU 292 Cb 0.68 0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.41 3hhf h GLU 292 CO 0.14 0.96 -1.73 -0.07 -1.16 0.00 0.00 179.01 177.15 3hhf h LEU 293 N 0.29 0.59 0.00 1.33 3.38 -1.39 -3.51 115.31 116.00 3hhf h LEU 293 Ca -0.03 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.01 3hhf h LEU 293 Cb 1.27 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3hhf h LEU 293 CO 0.12 1.78 0.00 0.61 0.09 0.00 0.00 178.44 181.04