#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhc s THR 2 N 0.00 2.13 0.32 2.03 -4.23 -1.26 -3.57 115.64 111.06 3dhc s THR 2 Ca 0.00 -2.05 -0.28 0.00 -1.18 0.00 0.00 61.69 58.18 3dhc s THR 2 Cb 0.00 -2.03 -0.10 0.00 1.34 0.00 0.00 72.50 71.71 3dhc s THR 2 CO 0.00 -0.26 1.21 -0.69 -0.54 0.00 0.00 174.62 174.34 3dhc s VAL 3 N -2.01 3.07 0.03 2.29 1.01 0.50 -4.74 120.40 120.56 3dhc s VAL 3 Ca 0.20 1.05 -0.18 0.00 0.00 0.00 0.00 61.98 63.05 3dhc s VAL 3 Cb -0.06 -3.65 -0.19 0.00 0.00 0.00 0.00 36.38 32.48 3dhc s VAL 3 CO 0.09 0.23 1.21 0.11 0.00 0.00 0.00 175.10 176.74 3dhc h LYS 4 N 3.40 0.48 -3.12 2.72 1.57 -1.06 0.62 116.57 121.18 3dhc h LYS 4 Ca -0.48 -0.40 -0.17 0.00 -1.87 0.00 0.00 60.65 57.73 3dhc h LYS 4 Cb 1.22 0.09 -0.27 0.00 0.08 0.00 0.00 32.23 33.35 3dhc h LYS 4 CO 0.65 1.03 -0.44 0.15 -0.57 0.00 0.00 179.45 180.27 3dhc s LYS 5 N -3.63 0.27 -0.25 3.15 1.02 -1.11 -4.50 119.74 114.68 3dhc s LYS 5 Ca -0.13 0.38 0.01 0.00 0.02 0.00 0.00 55.97 56.25 3dhc s LYS 5 Cb 0.05 0.08 0.04 0.00 -0.52 0.00 0.00 37.83 37.49 3dhc s LYS 5 CO 0.82 -0.06 -0.09 -1.17 -0.92 0.00 0.00 175.35 173.92 3dhc s LEU 6 N 0.37 3.26 -0.13 3.17 2.96 -0.49 -0.66 118.68 127.16 3dhc s LEU 6 Ca -0.02 -1.12 -0.06 0.00 -0.22 0.00 0.00 54.13 52.71 3dhc s LEU 6 Cb -0.04 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 45.02 3dhc s LEU 6 CO -0.02 -0.16 0.09 -0.31 -1.32 0.00 0.00 176.35 174.64 3dhc s TYR 7 N 1.22 3.43 -0.25 5.38 1.51 0.20 -1.25 117.35 127.58 3dhc s TYR 7 Ca -0.04 0.37 -0.15 0.00 -1.01 0.00 0.00 57.07 56.24 3dhc s TYR 7 Cb -0.18 -1.94 -0.04 0.00 -0.11 0.00 0.00 41.96 39.69 3dhc s TYR 7 CO -0.05 0.55 0.37 -0.06 -1.11 0.00 0.00 175.55 175.24 3dhc s PHE 8 N -0.67 3.29 -0.23 2.71 0.40 -1.26 -1.30 117.98 120.91 3dhc s PHE 8 Ca 0.12 0.46 0.01 0.00 -0.60 0.00 0.00 56.93 56.92 3dhc s PHE 8 Cb -0.12 -2.54 0.05 0.00 0.51 0.00 0.00 43.02 40.92 3dhc s PHE 8 CO 0.02 -0.15 -0.10 0.42 0.70 0.00 0.00 175.22 176.12 3dhc s ILE 9 N 1.80 1.79 0.34 0.64 1.01 0.00 -0.94 121.20 125.85 3dhc s ILE 9 Ca 0.16 -1.26 -0.29 0.00 0.00 0.00 0.00 60.65 59.25 3dhc s ILE 9 Cb -0.15 -1.92 -0.11 0.00 0.01 0.00 0.00 42.46 40.28 3dhc s ILE 9 CO 0.09 0.05 1.54 -2.65 0.00 0.00 0.00 174.94 173.96 3dhc n PRO 10 N 4.60 2.68 -2.60 2.79 -0.02 -1.26 -1.31 135.00 139.87 3dhc n PRO 10 Ca -0.14 0.95 -0.12 0.00 -2.02 0.00 0.00 63.50 62.16 3dhc n PRO 10 Cb 0.45 -2.70 0.03 0.00 -0.02 0.00 0.00 33.50 31.25 3dhc n PRO 10 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dhc n ALA 11 N 1.23 3.75 0.00 3.55 0.00 -0.11 -4.87 120.51 124.06 3dhc n ALA 11 Ca 0.05 -3.37 0.00 0.00 0.00 0.00 0.00 53.44 50.11 3dhc n ALA 11 Cb 0.38 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.04 3dhc n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dhc n GLY 12 N -0.31 -2.50 3.28 0.00 0.00 -1.26 -4.59 105.19 99.80 3dhc n GLY 12 Ca 0.18 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.26 3dhc n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dhc s ARG 13 N -0.40 1.41 -0.14 1.61 0.52 -0.44 -1.62 118.95 119.89 3dhc s ARG 13 Ca 0.00 -1.69 -0.09 0.00 -0.52 0.00 0.00 55.73 53.43 3dhc s ARG 13 Cb 0.00 0.31 0.05 0.00 0.52 0.00 0.00 34.95 35.83 3dhc s ARG 13 CO 0.00 -0.50 0.34 0.00 0.02 0.00 0.00 175.30 175.16 3dhc s MET 15 N 0.90 4.59 -0.00 0.00 1.00 0.70 -0.82 119.30 125.66 3dhc s MET 15 Ca -0.06 1.25 0.02 0.00 0.00 0.00 0.00 55.69 56.90 3dhc s MET 15 Cb -0.07 -3.37 -0.01 0.00 0.00 0.00 0.00 34.83 31.38 3dhc s MET 15 CO -0.07 0.24 -0.07 -1.17 0.00 0.00 0.00 175.02 173.95 3dhc s LEU 16 N 0.03 2.03 0.52 -0.03 2.96 -0.35 -1.27 118.68 122.55 3dhc s LEU 16 Ca 0.43 -0.15 -0.23 0.00 -0.22 0.00 0.00 54.13 53.97 3dhc s LEU 16 Cb -0.22 -0.34 -0.06 0.00 0.50 0.00 0.00 46.19 46.08 3dhc s LEU 16 CO 0.26 0.07 1.35 -0.62 -1.32 0.00 0.00 176.35 176.09 3dhc s ASP 17 N -0.24 5.49 0.29 3.68 2.15 -0.98 -0.68 116.67 126.37 3dhc s ASP 17 Ca 0.02 2.76 0.24 0.00 0.43 0.00 0.00 52.55 56.00 3dhc s ASP 17 Cb -0.03 -2.64 1.05 0.00 -0.30 0.00 0.00 42.92 41.01 3dhc s ASP 17 CO -0.00 -1.42 1.72 1.12 -0.17 0.00 0.00 175.17 176.42 3dhc h HIS 18 N 1.71 0.00 0.00 -5.34 2.07 -1.17 0.72 115.15 113.14 3dhc h HIS 18 Ca -0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.01 3dhc h HIS 18 Cb 1.29 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.27 3dhc h HIS 18 CO 0.47 0.00 0.00 -1.13 -3.07 0.00 0.00 177.93 174.20 3dhc n SER 19 N -2.30 0.54 0.13 3.10 3.41 -1.26 -1.81 113.62 115.42 3dhc n SER 19 Ca 0.01 0.65 0.12 0.00 -0.26 0.00 0.00 58.87 59.40 3dhc n SER 19 Cb 0.20 -0.76 0.26 0.00 -0.26 0.00 0.00 64.21 63.65 3dhc n SER 19 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3dhc h SER 20 N 0.00 0.00 0.12 4.04 4.64 -1.20 -3.16 113.55 117.99 3dhc h SER 20 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3dhc h SER 20 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3dhc h SER 20 CO 0.00 0.02 -1.74 1.33 -0.87 0.00 0.00 176.83 175.57 3dhc n VAL 21 N -2.49 0.07 -3.37 0.95 0.24 -0.75 -0.95 118.33 112.02 3dhc n VAL 21 Ca 0.04 -0.44 -0.12 0.00 -2.04 0.00 0.00 64.34 61.79 3dhc n VAL 21 Cb 0.47 0.09 -0.08 0.00 -1.47 0.00 0.00 33.84 32.84 3dhc n VAL 21 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3dhc s ASN 22 N -4.40 0.77 0.05 -1.34 3.84 -0.89 -4.60 114.94 108.37 3dhc s ASN 22 Ca -0.05 -0.23 0.08 0.00 0.21 0.00 0.00 52.86 52.88 3dhc s ASN 22 Cb 0.14 0.88 0.38 0.00 -0.55 0.00 0.00 41.25 42.10 3dhc s ASN 22 CO 0.89 -0.34 1.26 -1.20 -2.79 0.00 0.00 177.10 174.92 3dhc n SER 23 N 5.34 0.11 0.03 -4.21 7.64 0.23 -1.19 113.62 121.58 3dhc n SER 23 Ca -0.02 0.54 0.13 0.00 1.01 0.00 0.00 58.87 60.52 3dhc n SER 23 Cb 0.49 -0.56 0.32 0.00 -1.01 0.00 0.00 64.21 63.45 3dhc n SER 23 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dhc n ALA 24 N -1.55 2.94 -1.78 -0.43 0.00 -1.26 -4.93 120.51 113.49 3dhc n ALA 24 Ca 0.01 -0.23 -0.32 0.00 0.00 0.00 0.00 53.44 52.90 3dhc n ALA 24 Cb 0.07 -1.25 -0.02 0.00 0.00 0.00 0.00 19.45 18.25 3dhc n ALA 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dhc s LEU 25 N -3.60 3.61 -0.26 0.00 1.43 -0.33 -4.98 118.68 114.55 3dhc s LEU 25 Ca 0.10 1.68 -0.28 0.00 -1.03 0.00 0.00 54.13 54.60 3dhc s LEU 25 Cb 0.16 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.87 3dhc s LEU 25 CO 0.66 -0.78 1.02 0.42 0.23 0.00 0.00 176.35 177.89 3dhc s THR 26 N -2.50 4.65 0.68 5.49 -4.23 -1.26 -4.60 115.64 113.86 3dhc s THR 26 Ca 0.61 1.84 -0.17 0.00 -1.18 0.00 0.00 61.69 62.79 3dhc s THR 26 Cb -0.12 -4.32 -0.00 0.00 1.34 0.00 0.00 72.50 69.40 3dhc s THR 26 CO 0.31 -0.27 1.16 -2.65 -0.54 0.00 0.00 174.62 172.64 3dhc n PRO 27 N 6.46 0.84 0.00 3.99 -0.02 -1.26 -4.46 135.00 140.55 3dhc n PRO 27 Ca 0.11 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3dhc n PRO 27 Cb 0.47 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3dhc n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dhc n GLY 28 N 0.98 0.55 2.94 -1.23 0.00 -1.26 -5.07 105.19 102.09 3dhc n GLY 28 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3dhc n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dhc s LYS 29 N 0.00 1.70 0.31 1.61 -0.14 -1.26 -5.06 119.74 116.90 3dhc s LYS 29 Ca 0.00 -0.33 -0.15 0.00 -1.36 0.00 0.00 55.97 54.13 3dhc s LYS 29 Cb 0.00 -1.66 -0.09 0.00 -1.68 0.00 0.00 37.83 34.40 3dhc s LYS 29 CO 0.00 -0.22 0.73 -0.51 -0.76 0.00 0.00 175.35 174.59 3dhc s LEU 30 N 1.52 4.08 -0.07 3.17 2.01 -1.26 -0.56 118.68 127.57 3dhc s LEU 30 Ca 0.02 1.27 0.06 0.00 0.01 0.00 0.00 54.13 55.49 3dhc s LEU 30 Cb -0.13 -4.04 -0.01 0.00 0.01 0.00 0.00 46.19 42.02 3dhc s LEU 30 CO -0.07 -0.19 -0.24 -0.76 1.01 0.00 0.00 176.35 176.10 3dhc s LEU 31 N -2.92 2.10 -0.72 1.79 1.43 0.14 -4.87 118.68 115.64 3dhc s LEU 31 Ca 0.53 -0.51 -0.21 0.00 -1.03 0.00 0.00 54.13 52.91 3dhc s LEU 31 Cb -0.11 -1.39 0.09 0.00 0.03 0.00 0.00 46.19 44.81 3dhc s LEU 31 CO 0.18 0.23 0.98 0.21 0.23 0.00 0.00 176.35 178.18 3dhc s ASN 32 N -0.09 6.29 0.12 2.29 3.04 -1.26 -1.22 114.94 124.11 3dhc s ASN 32 Ca -0.06 -1.30 -0.00 0.00 0.04 0.00 0.00 52.86 51.54 3dhc s ASN 32 Cb -0.14 -2.40 -0.04 0.00 -1.54 0.00 0.00 41.25 37.12 3dhc s ASN 32 CO 0.04 -1.31 0.29 -0.76 -3.04 0.00 0.00 177.10 172.32 3dhc s LEU 33 N 3.58 4.32 0.35 3.21 1.43 -0.00 -4.89 118.68 126.67 3dhc s LEU 33 Ca 0.24 0.31 -0.26 0.00 -1.03 0.00 0.00 54.13 53.39 3dhc s LEU 33 Cb -0.15 -3.03 -0.09 0.00 0.03 0.00 0.00 46.19 42.95 3dhc s LEU 33 CO 0.05 0.08 1.01 -2.16 0.23 0.00 0.00 176.35 175.55 3dhc s PRO 34 N -2.90 4.43 -0.14 1.29 0.04 -1.26 -0.93 135.00 135.52 3dhc s PRO 34 Ca 0.36 1.48 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 3dhc s PRO 34 Cb -0.12 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 31.63 3dhc s PRO 34 CO 0.28 0.11 -0.02 0.08 0.04 0.00 0.00 177.00 177.48 3dhc s VAL 35 N -1.55 4.05 0.11 -0.36 1.01 -0.64 -4.70 120.40 118.32 3dhc s VAL 35 Ca 0.52 -0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.29 3dhc s VAL 35 Cb -0.22 -2.77 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3dhc s VAL 35 CO 0.28 0.51 -0.23 0.26 0.00 0.00 0.00 175.10 175.92 3dhc s TRP 36 N 0.14 2.42 0.26 5.22 0.52 -1.26 -0.94 118.94 125.30 3dhc s TRP 36 Ca -0.00 -0.33 0.07 0.00 0.02 0.00 0.00 56.10 55.87 3dhc s TRP 36 Cb -0.13 -1.32 -0.05 0.00 -1.15 0.00 0.00 33.47 30.82 3dhc s TRP 36 CO 0.02 0.33 -0.10 0.00 0.02 0.00 0.00 176.95 177.23 3dhc s TYR 38 N -2.94 1.35 -0.13 0.00 2.02 -0.44 -0.82 117.35 116.38 3dhc s TYR 38 Ca 0.28 -0.30 0.03 0.00 -0.37 0.00 0.00 57.07 56.71 3dhc s TYR 38 Cb 0.02 -0.89 0.01 0.00 -0.40 0.00 0.00 41.96 40.69 3dhc s TYR 38 CO 0.11 -0.06 -0.22 -1.17 -1.57 0.00 0.00 175.55 172.64 3dhc s LEU 39 N -0.19 2.16 -0.23 -1.29 1.98 -0.42 -0.26 118.68 120.44 3dhc s LEU 39 Ca 0.02 -0.57 -0.06 0.00 -2.89 0.00 0.00 54.13 50.63 3dhc s LEU 39 Cb -0.07 -1.45 -0.02 0.00 0.66 0.00 0.00 46.19 45.30 3dhc s LEU 39 CO 0.00 0.10 0.03 -0.76 -1.89 0.00 0.00 176.35 173.83 3dhc s LEU 40 N 0.67 3.27 -0.28 -0.68 1.02 0.21 -0.63 118.68 122.26 3dhc s LEU 40 Ca -0.10 -0.25 -0.15 0.00 0.02 0.00 0.00 54.13 53.65 3dhc s LEU 40 Cb -0.16 -1.86 -0.03 0.00 0.02 0.00 0.00 46.19 44.16 3dhc s LEU 40 CO 0.01 -0.01 0.38 -1.61 0.02 0.00 0.00 176.35 175.14 3dhc s GLU 41 N 1.47 3.97 0.26 1.70 2.02 0.16 -0.94 118.70 127.34 3dhc s GLU 41 Ca 0.05 0.01 0.06 0.00 0.02 0.00 0.00 54.97 55.11 3dhc s GLU 41 Cb -0.15 -3.67 -0.06 0.00 0.10 0.00 0.00 34.13 30.35 3dhc s GLU 41 CO 0.01 -0.31 -0.06 0.95 0.02 0.00 0.00 175.26 175.87 3dhc s THR 42 N 2.09 1.59 0.46 3.63 -4.23 -1.06 -0.41 115.64 117.70 3dhc s THR 42 Ca 0.15 -2.12 0.13 0.00 -1.18 0.00 0.00 61.69 58.66 3dhc s THR 42 Cb -0.16 -2.39 0.29 0.00 1.34 0.00 0.00 72.50 71.59 3dhc s THR 42 CO 0.10 -0.34 2.06 -0.08 -0.54 0.00 0.00 174.62 175.82 3dhc h GLU 43 N 2.33 0.32 0.00 3.99 4.81 -1.94 -1.51 114.58 122.58 3dhc h GLU 43 Ca -0.40 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 3dhc h GLU 43 Cb 1.23 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3dhc h GLU 43 CO 0.66 0.21 -0.16 0.39 -0.73 0.00 0.00 179.01 179.38 3dhc n GLU 44 N -4.48 0.10 0.00 1.92 4.71 -1.26 -5.03 120.64 116.59 3dhc n GLU 44 Ca 0.04 0.06 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 3dhc n GLU 44 Cb 0.19 -1.60 0.00 0.00 -1.01 0.00 0.00 31.44 29.03 3dhc n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3dhc n GLY 45 N 1.43 1.29 3.76 0.62 0.00 -0.57 -4.93 105.19 106.80 3dhc n GLY 45 Ca 0.06 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 3dhc n GLY 45 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3dhc s PRO 46 N -1.18 4.63 -0.07 1.61 0.04 -1.26 -2.56 135.00 136.20 3dhc s PRO 46 Ca 0.00 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.31 3dhc s PRO 46 Cb 0.00 -3.29 0.00 0.00 0.04 0.00 0.00 34.50 31.25 3dhc s PRO 46 CO 0.00 0.48 -0.18 0.42 0.04 0.00 0.00 177.00 177.76 3dhc s ILE 47 N -0.87 1.56 -0.20 0.56 1.01 -0.12 -0.26 121.20 122.88 3dhc s ILE 47 Ca 0.38 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 60.22 3dhc s ILE 47 Cb -0.23 -1.37 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 3dhc s ILE 47 CO 0.27 0.45 0.06 -0.22 0.00 0.00 0.00 174.94 175.50 3dhc s LEU 48 N 0.40 3.70 -0.34 2.97 2.96 -0.81 -0.62 118.68 126.94 3dhc s LEU 48 Ca -0.14 0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 53.66 3dhc s LEU 48 Cb -0.16 -1.95 -0.00 0.00 0.50 0.00 0.00 46.19 44.58 3dhc s LEU 48 CO 0.05 0.12 0.21 -0.69 -1.32 0.00 0.00 176.35 174.73 3dhc s VAL 49 N 0.66 4.95 0.33 1.68 1.01 0.64 -0.45 120.40 129.23 3dhc s VAL 49 Ca 0.03 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3dhc s VAL 49 Cb -0.13 -3.60 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3dhc s VAL 49 CO 0.02 -0.05 0.00 0.47 0.00 0.00 0.00 175.10 175.53 3dhc n ASP 50 N 5.06 -4.45 -0.43 3.32 8.00 0.03 -1.33 116.55 126.74 3dhc n ASP 50 Ca -0.13 0.76 0.01 0.00 0.71 0.00 0.00 54.79 56.14 3dhc n ASP 50 Cb 0.49 -2.72 0.01 0.00 -0.02 0.00 0.00 41.12 38.87 3dhc n ASP 50 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3dhc n THR 51 N -3.35 0.11 -4.50 -3.53 -2.24 -0.36 -4.64 114.28 95.78 3dhc n THR 51 Ca -0.05 -0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3dhc n THR 51 Cb 0.38 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.11 3dhc n THR 51 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dhc n GLY 52 N -0.08 -0.16 3.96 3.38 0.00 -1.25 -2.74 105.19 108.30 3dhc n GLY 52 Ca 0.01 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 3dhc n GLY 52 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dhc s MET 53 N 0.00 3.42 0.74 1.61 -1.94 -1.26 -0.83 119.30 121.05 3dhc s MET 53 Ca 0.00 -0.75 -0.11 0.00 -1.71 0.00 0.00 55.69 53.12 3dhc s MET 53 Cb 0.00 -2.89 0.03 0.00 2.01 0.00 0.00 34.83 33.99 3dhc s MET 53 CO 0.00 0.44 1.07 -1.25 -0.01 0.00 0.00 175.02 175.27 3dhc s PRO 54 N -3.89 2.57 0.57 2.03 0.04 -1.25 -4.03 135.00 131.04 3dhc s PRO 54 Ca 0.34 0.87 0.32 0.00 0.04 0.00 0.00 61.00 62.58 3dhc s PRO 54 Cb -0.09 -1.95 1.73 0.00 0.04 0.00 0.00 34.50 34.23 3dhc s PRO 54 CO 0.29 -1.34 2.17 1.05 0.04 0.00 0.00 177.00 179.21 3dhc h GLU 55 N -0.89 0.00 0.00 4.56 -0.00 -1.99 -0.94 114.58 115.32 3dhc h GLU 55 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 3dhc h GLU 55 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 3dhc h GLU 55 CO 0.57 0.06 0.00 0.66 -0.00 0.00 0.00 179.01 180.30 3dhc h SER 56 N 0.00 0.00 0.91 3.06 4.64 -1.96 -0.93 113.55 119.26 3dhc h SER 56 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dhc h SER 56 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 3dhc h SER 56 CO 0.01 0.00 -0.26 0.00 -0.87 0.00 0.00 176.83 175.70 3dhc n ALA 57 N -1.97 2.79 -1.92 5.18 0.00 -0.36 -4.69 120.51 119.54 3dhc n ALA 57 Ca -0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 3dhc n ALA 57 Cb 0.18 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.29 3dhc n ALA 57 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dhc s VAL 58 N -3.05 3.21 -1.49 0.00 1.01 -0.36 -2.23 120.40 117.50 3dhc s VAL 58 Ca 0.11 0.50 -0.12 0.00 0.00 0.00 0.00 61.98 62.47 3dhc s VAL 58 Cb 0.16 -3.32 0.08 0.00 0.00 0.00 0.00 36.38 33.30 3dhc s VAL 58 CO 0.63 -0.02 0.81 0.59 0.00 0.00 0.00 175.10 177.11 3dhc n ASN 59 N 6.33 -4.60 -3.06 3.32 3.02 0.30 -4.88 115.26 115.68 3dhc n ASN 59 Ca 0.17 -0.64 -0.18 0.00 -0.03 0.00 0.00 54.58 53.89 3dhc n ASN 59 Cb 0.41 -3.71 -0.02 0.00 -0.61 0.00 0.00 39.78 35.85 3dhc n ASN 59 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dhc n ASN 60 N -2.65 -0.61 0.27 6.41 4.05 -0.95 -4.95 115.26 116.84 3dhc n ASN 60 Ca 0.02 -2.95 0.12 0.00 0.45 0.00 0.00 54.58 52.22 3dhc n ASN 60 Cb 0.54 0.11 0.80 0.00 1.23 0.00 0.00 39.78 42.45 3dhc n ASN 60 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 177.26 173.88 3dhc h GLU 61 N 3.77 0.00 -0.89 1.20 5.08 -1.80 -1.81 114.58 120.14 3dhc h GLU 61 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3dhc h GLU 61 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 3dhc h GLU 61 CO 0.41 0.00 0.01 0.41 -1.00 0.00 0.00 179.01 178.84 3dhc n GLY 62 N -1.42 1.95 0.37 -3.84 0.00 -1.26 -4.04 105.19 96.95 3dhc n GLY 62 Ca -0.02 -0.26 0.18 0.00 0.00 0.00 0.00 46.02 45.91 3dhc n GLY 62 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3dhc h LEU 63 N 1.12 0.63 -2.63 0.99 5.85 -1.66 -0.84 115.31 118.77 3dhc h LEU 63 Ca 0.01 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3dhc h LEU 63 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 3dhc h LEU 63 CO 0.15 0.15 0.00 0.49 -0.34 0.00 0.00 178.44 178.89 3dhc n PHE 64 N -4.76 1.09 -1.72 1.25 0.99 -1.26 -4.92 117.46 108.13 3dhc n PHE 64 Ca 0.25 -0.49 -0.43 0.00 -0.00 0.00 0.00 57.45 56.79 3dhc n PHE 64 Cb 0.73 -0.09 -0.01 0.00 -1.00 0.00 0.00 39.48 39.11 3dhc n PHE 64 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3dhc n ASN 65 N 1.29 3.21 0.00 4.37 3.02 -0.32 -2.06 115.26 124.76 3dhc n ASN 65 Ca 0.23 1.18 0.00 0.00 -0.03 0.00 0.00 54.58 55.96 3dhc n ASN 65 Cb 0.67 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.32 3dhc n ASN 65 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dhc n GLY 66 N 1.31 0.78 3.82 7.41 0.00 -1.26 -4.98 105.19 112.26 3dhc n GLY 66 Ca 0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3dhc n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dhc s THR 67 N -2.90 1.72 -0.56 2.61 -4.23 -0.88 -5.01 115.64 106.38 3dhc s THR 67 Ca 0.00 -1.68 0.16 0.00 -1.18 0.00 0.00 61.69 58.99 3dhc s THR 67 Cb 0.00 -2.40 0.16 0.00 1.34 0.00 0.00 72.50 71.60 3dhc s THR 67 CO 0.00 0.00 1.49 2.22 -0.54 0.00 0.00 174.62 177.79 3dhc n PHE 68 N -1.48 0.48 -0.81 3.99 -1.74 -1.26 -1.78 117.46 114.86 3dhc n PHE 68 Ca -0.06 0.23 0.08 0.00 -0.56 0.00 0.00 57.45 57.13 3dhc n PHE 68 Cb 0.65 -0.86 0.19 0.00 1.52 0.00 0.00 39.48 40.98 3dhc n PHE 68 CO 0.00 0.00 0.00 1.33 -0.56 0.00 0.00 176.76 177.53 3dhc n VAL 69 N -1.97 1.89 -1.62 1.97 0.24 -1.26 -5.00 118.33 112.58 3dhc n VAL 69 Ca 0.00 -1.77 -0.48 0.00 -2.04 0.00 0.00 64.34 60.05 3dhc n VAL 69 Cb 0.09 -0.07 -0.04 0.00 -1.47 0.00 0.00 33.84 32.34 3dhc n VAL 69 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3dhc n GLU 70 N -0.58 1.54 -0.27 7.34 2.13 -0.73 -0.73 120.64 129.34 3dhc n GLU 70 Ca 0.17 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.54 3dhc n GLU 70 Cb 0.71 -2.19 0.00 0.00 0.27 0.00 0.00 31.44 30.23 3dhc n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dhc n GLY 71 N 2.51 1.98 0.05 8.31 0.00 -1.26 -4.78 105.19 112.00 3dhc n GLY 71 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3dhc n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dhc n GLN 72 N -2.00 0.84 -3.75 1.61 6.02 0.09 -4.86 117.38 115.34 3dhc n GLN 72 Ca 0.00 -0.09 -0.23 0.00 -0.01 0.00 0.00 57.00 56.67 3dhc n GLN 72 Cb 0.00 -1.46 -0.18 0.00 1.02 0.00 0.00 30.24 29.63 3dhc n GLN 72 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3dhc s ILE 73 N -2.87 0.29 -0.23 5.09 1.01 -1.16 -2.33 121.20 120.99 3dhc s ILE 73 Ca -0.08 0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.70 3dhc s ILE 73 Cb 0.09 -0.49 0.07 0.00 0.01 0.00 0.00 42.46 42.14 3dhc s ILE 73 CO 0.76 0.22 0.03 -0.76 0.00 0.00 0.00 174.94 175.19 3dhc s LEU 74 N 2.01 1.85 0.51 2.97 1.02 -0.40 -4.60 118.68 122.04 3dhc s LEU 74 Ca 0.05 -1.13 -0.21 0.00 0.02 0.00 0.00 54.13 52.86 3dhc s LEU 74 Cb -0.12 -0.83 -0.06 0.00 0.02 0.00 0.00 46.19 45.20 3dhc s LEU 74 CO -0.05 -0.31 1.20 -2.16 0.02 0.00 0.00 176.35 175.04 3dhc s PRO 75 N 1.67 3.43 -0.53 1.29 0.04 -1.26 -0.22 135.00 139.42 3dhc s PRO 75 Ca 0.00 1.83 0.04 0.00 0.04 0.00 0.00 61.00 62.91 3dhc s PRO 75 Cb -0.18 -2.21 0.14 0.00 0.04 0.00 0.00 34.50 32.29 3dhc s PRO 75 CO -0.12 -0.83 0.31 0.15 0.04 0.00 0.00 177.00 176.55 3dhc s LYS 76 N -2.96 1.85 -0.04 4.56 -0.14 0.49 -4.01 119.74 119.49 3dhc s LYS 76 Ca 0.69 -2.59 0.01 0.00 -1.36 0.00 0.00 55.97 52.72 3dhc s LYS 76 Cb -0.30 -2.99 0.02 0.00 -1.68 0.00 0.00 37.83 32.88 3dhc s LYS 76 CO 0.35 -1.17 -0.03 1.41 -0.76 0.00 0.00 175.35 175.15 3dhc s MET 77 N -0.36 0.62 0.49 1.68 1.75 -1.26 -1.32 119.30 120.90 3dhc s MET 77 Ca 0.20 -0.04 0.08 0.00 -1.25 0.00 0.00 55.69 54.67 3dhc s MET 77 Cb -0.20 -0.69 0.03 0.00 2.84 0.00 0.00 34.83 36.81 3dhc s MET 77 CO -0.04 -0.10 0.51 0.95 -0.65 0.00 0.00 175.02 175.69 3dhc s THR 78 N 0.93 2.30 0.47 10.11 -4.23 -1.26 -0.54 115.64 123.42 3dhc s THR 78 Ca -0.11 -1.26 0.15 0.00 -1.18 0.00 0.00 61.69 59.29 3dhc s THR 78 Cb -0.14 -2.56 0.32 0.00 1.34 0.00 0.00 72.50 71.46 3dhc s THR 78 CO -0.00 0.00 2.03 -0.33 -0.54 0.00 0.00 174.62 175.78 3dhc h GLU 79 N 0.70 0.26 0.00 3.99 4.39 -1.98 -0.58 114.58 121.36 3dhc h GLU 79 Ca -0.37 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.30 3dhc h GLU 79 Cb 1.28 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3dhc h GLU 79 CO 0.52 0.17 -0.05 0.93 -1.16 0.00 0.00 179.01 179.43 3dhc h GLU 80 N 0.27 0.00 -0.01 2.33 5.08 -1.99 -2.85 114.58 117.40 3dhc h GLU 80 Ca 0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3dhc h GLU 80 Cb 0.40 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.65 3dhc h GLU 80 CO -0.04 0.05 -0.02 -0.25 -1.00 0.00 0.00 179.01 177.74 3dhc n ASP 81 N -3.26 1.21 -4.75 1.42 8.00 -0.22 -3.86 116.55 115.08 3dhc n ASP 81 Ca -0.01 -1.34 -0.41 0.00 0.71 0.00 0.00 54.79 53.73 3dhc n ASP 81 Cb 0.22 0.01 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 3dhc n ASP 81 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3dhc s ARG 82 N -2.06 4.15 0.49 -1.24 0.52 -1.08 -4.72 118.95 115.01 3dhc s ARG 82 Ca 0.38 2.52 0.17 0.00 -0.52 0.00 0.00 55.73 58.28 3dhc s ARG 82 Cb 0.21 -3.03 1.18 0.00 0.52 0.00 0.00 34.95 33.83 3dhc s ARG 82 CO 0.36 -0.58 2.07 0.97 0.02 0.00 0.00 175.30 178.14 3dhc h ILE 83 N 3.37 1.01 -0.30 1.52 6.09 -1.86 0.31 117.51 127.65 3dhc h ILE 83 Ca -0.47 -0.36 -0.12 0.00 -1.37 0.00 0.00 64.86 62.55 3dhc h ILE 83 Cb 1.22 1.19 -0.01 0.00 0.47 0.00 0.00 36.82 39.69 3dhc h ILE 83 CO 0.77 0.10 -0.30 0.58 -3.07 0.00 0.00 178.15 176.23 3dhc h VAL 84 N 0.00 1.28 -0.17 2.19 2.07 -1.93 0.11 116.25 119.79 3dhc h VAL 84 Ca -0.00 -1.41 -0.13 0.00 0.82 0.00 0.00 66.70 65.98 3dhc h VAL 84 Cb 0.19 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3dhc h VAL 84 CO 0.01 0.45 -0.42 0.78 0.02 0.00 0.00 177.57 178.42 3dhc h ASN 85 N 0.53 0.67 -0.30 0.57 -0.26 -1.30 -0.89 115.58 114.59 3dhc h ASN 85 Ca 0.06 -0.57 0.06 0.00 -0.56 0.00 0.00 56.30 55.30 3dhc h ASN 85 Cb 0.78 -0.19 -0.06 0.00 -1.06 0.00 0.00 38.32 37.79 3dhc h ASN 85 CO 0.06 1.12 -0.10 0.40 -1.06 0.00 0.00 177.43 177.85 3dhc h ILE 86 N 0.25 0.64 -0.66 2.81 2.04 -0.93 -1.01 117.51 120.64 3dhc h ILE 86 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 3dhc h ILE 86 Cb 1.03 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 3dhc h ILE 86 CO 0.09 0.00 0.27 -0.07 0.00 0.00 0.00 178.15 178.44 3dhc h LEU 87 N -0.04 0.92 -0.69 1.44 3.38 -0.73 -1.42 115.31 118.17 3dhc h LEU 87 Ca 0.15 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3dhc h LEU 87 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3dhc h LEU 87 CO -0.33 0.84 0.29 0.50 0.09 0.00 0.00 178.44 179.83 3dhc h LYS 88 N 0.94 1.01 -0.54 1.13 1.63 -0.86 0.77 116.57 120.66 3dhc h LYS 88 Ca 0.22 -0.17 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 3dhc h LYS 88 Cb 0.21 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.64 3dhc h LYS 88 CO -0.02 0.83 0.17 0.00 -3.45 0.00 0.00 179.45 176.98 3dhc h ARG 89 N 0.97 0.80 0.00 1.90 3.08 -0.76 -2.80 114.38 117.56 3dhc h ARG 89 Ca 0.23 -0.14 -0.15 0.00 0.07 0.00 0.00 59.98 60.00 3dhc h ARG 89 Cb 0.18 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3dhc h ARG 89 CO -0.02 0.69 -0.70 -0.24 -1.07 0.00 0.00 179.97 178.63 3dhc h VAL 90 N 0.78 1.41 0.00 2.04 3.04 -0.61 -3.47 116.25 119.43 3dhc h VAL 90 Ca 0.18 -2.46 0.00 0.00 -1.01 0.00 0.00 66.70 63.41 3dhc h VAL 90 Cb 0.22 2.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.86 3dhc h VAL 90 CO -0.01 0.68 0.00 0.61 -1.01 0.00 0.00 177.57 177.84 3dhc n GLY 91 N 0.67 1.07 3.18 3.17 0.00 -0.13 -5.10 105.19 108.04 3dhc n GLY 91 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 3dhc n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3dhc s TYR 92 N -1.30 1.14 0.25 1.61 1.51 0.08 -4.99 117.35 115.64 3dhc s TYR 92 Ca 0.00 -0.59 0.08 0.00 -1.01 0.00 0.00 57.07 55.55 3dhc s TYR 92 Cb 0.00 -0.62 -0.04 0.00 -0.11 0.00 0.00 41.96 41.19 3dhc s TYR 92 CO 0.00 0.04 0.12 -1.21 -1.11 0.00 0.00 175.55 173.38 3dhc s GLU 93 N -2.49 2.69 0.26 -0.62 2.02 -1.26 -2.61 118.70 116.69 3dhc s GLU 93 Ca 0.04 -1.17 -0.01 0.00 0.02 0.00 0.00 54.97 53.85 3dhc s GLU 93 Cb -0.05 -2.42 0.56 0.00 0.10 0.00 0.00 34.13 32.32 3dhc s GLU 93 CO 0.01 0.40 1.72 -1.35 0.02 0.00 0.00 175.26 176.06 3dhc h PRO 94 N 1.73 0.44 0.00 0.39 0.11 -1.94 0.33 132.00 133.06 3dhc h PRO 94 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3dhc h PRO 94 Cb 1.24 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3dhc h PRO 94 CO 0.61 0.29 0.00 -0.25 -0.21 0.00 0.00 178.00 178.44 3dhc n ASP 95 N -5.00 0.00 0.18 -2.05 8.00 -1.26 -2.06 116.55 114.36 3dhc n ASP 95 Ca 0.17 -0.15 0.13 0.00 0.71 0.00 0.00 54.79 55.66 3dhc n ASP 95 Cb 0.50 -0.20 0.34 0.00 -0.02 0.00 0.00 41.12 41.74 3dhc n ASP 95 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3dhc h ASP 96 N 0.00 0.00 -3.84 -2.24 3.32 -1.33 -3.46 116.42 108.87 3dhc h ASP 96 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 3dhc h ASP 96 Cb 0.12 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3dhc h ASP 96 CO 0.00 0.00 0.38 -0.76 -1.72 0.00 0.00 179.24 177.14 3dhc s LEU 97 N -5.51 4.45 -0.08 1.55 1.43 -0.87 -4.60 118.68 115.05 3dhc s LEU 97 Ca 0.07 2.00 -0.26 0.00 -1.03 0.00 0.00 54.13 54.90 3dhc s LEU 97 Cb 0.08 -3.83 -0.24 0.00 0.03 0.00 0.00 46.19 42.24 3dhc s LEU 97 CO 0.61 -0.08 0.99 0.25 0.23 0.00 0.00 176.35 178.35 3dhc h LEU 98 N 3.52 0.09 -8.02 1.79 5.85 -0.95 -3.46 115.31 114.14 3dhc h LEU 98 Ca -0.46 -0.79 -0.12 0.00 0.84 0.00 0.00 57.88 57.35 3dhc h LEU 98 Cb 1.20 -0.03 -0.16 0.00 0.37 0.00 0.00 40.66 42.04 3dhc h LEU 98 CO 0.66 0.87 -0.56 -0.31 -0.34 0.00 0.00 178.44 178.76 3dhc s TYR 99 N -3.06 0.32 -0.10 1.25 2.02 -1.25 -4.36 117.35 112.16 3dhc s TYR 99 Ca -0.17 -0.74 -0.02 0.00 -0.37 0.00 0.00 57.07 55.77 3dhc s TYR 99 Cb -0.00 -0.22 -0.03 0.00 -0.40 0.00 0.00 41.96 41.30 3dhc s TYR 99 CO 0.71 -0.40 -0.02 0.42 -1.57 0.00 0.00 175.55 174.69 3dhc s ILE 100 N -3.30 4.10 -0.22 2.71 -1.09 -0.28 -1.93 121.20 121.19 3dhc s ILE 100 Ca 0.01 -0.32 -0.04 0.00 -2.23 0.00 0.00 60.65 58.07 3dhc s ILE 100 Cb 0.03 -2.73 -0.01 0.00 -1.58 0.00 0.00 42.46 38.16 3dhc s ILE 100 CO -0.08 0.58 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.55 3dhc s ILE 101 N -0.57 3.58 -0.41 2.92 1.01 0.41 -0.05 121.20 128.09 3dhc s ILE 101 Ca 0.09 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 3dhc s ILE 101 Cb -0.12 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.74 3dhc s ILE 101 CO 0.02 0.41 0.50 -0.44 0.00 0.00 0.00 174.94 175.44 3dhc s SER 102 N 1.40 6.25 0.24 3.58 0.01 -0.20 -0.79 113.70 124.20 3dhc s SER 102 Ca 0.05 -0.43 -0.05 0.00 1.31 0.00 0.00 55.95 56.83 3dhc s SER 102 Cb -0.14 -2.26 0.34 0.00 0.21 0.00 0.00 66.02 64.17 3dhc s SER 102 CO -0.01 -0.60 1.85 0.77 0.41 0.00 0.00 173.24 175.66 3dhc h SER 103 N 8.70 0.85 -5.42 2.44 4.64 -1.86 -3.43 113.55 119.47 3dhc h SER 103 Ca -0.27 0.02 0.18 0.00 -0.47 0.00 0.00 61.79 61.25 3dhc h SER 103 Cb 1.11 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.99 3dhc h SER 103 CO 0.81 0.55 0.58 -1.38 -0.87 0.00 0.00 176.83 176.52 3dhc s HIS 104 N -6.06 0.03 -0.25 4.77 -3.43 -1.26 -1.20 115.29 107.88 3dhc s HIS 104 Ca -0.13 -0.40 0.16 0.00 -0.80 0.00 0.00 55.06 53.90 3dhc s HIS 104 Cb 0.18 0.68 0.59 0.00 -1.43 0.00 0.00 32.58 32.60 3dhc s HIS 104 CO 0.79 -0.87 1.49 1.28 -2.00 0.00 0.00 174.74 175.43 3dhc n LEU 105 N -0.65 4.26 -4.66 5.38 4.77 -1.26 -4.30 117.00 120.53 3dhc n LEU 105 Ca -0.04 -2.94 -0.31 0.00 -0.03 0.00 0.00 56.01 52.69 3dhc n LEU 105 Cb 0.60 -0.56 0.16 0.00 -2.33 0.00 0.00 43.42 41.29 3dhc n LEU 105 CO 0.19 0.67 0.67 1.41 -1.33 0.00 0.00 177.39 179.00 3dhc n HIS 106 N -0.18 0.83 0.20 -1.77 8.25 -1.26 -4.65 115.22 116.64 3dhc n HIS 106 Ca 0.22 0.40 0.04 0.00 -0.26 0.00 0.00 57.72 58.12 3dhc n HIS 106 Cb 0.94 -2.00 0.43 0.00 1.12 0.00 0.00 29.99 30.47 3dhc n HIS 106 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3dhc h PHE 107 N -1.80 0.03 -0.34 4.41 -5.15 -1.93 -0.06 116.94 112.10 3dhc h PHE 107 Ca -0.43 -0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.33 3dhc h PHE 107 Cb 1.27 -0.01 0.00 0.00 0.22 0.00 0.00 35.95 37.44 3dhc h PHE 107 CO 0.49 0.28 0.00 -0.40 -2.00 0.00 0.00 178.31 176.68 3dhc n ASP 108 N -4.23 2.42 -0.00 -0.68 3.85 -1.26 -2.22 116.55 114.44 3dhc n ASP 108 Ca -0.02 -1.89 0.01 0.00 -0.71 0.00 0.00 54.79 52.19 3dhc n ASP 108 Cb 0.31 -0.22 -0.03 0.00 -1.35 0.00 0.00 41.12 39.83 3dhc n ASP 108 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3dhc n HIS 109 N 0.82 0.00 -0.70 2.11 8.25 -0.12 -3.82 115.22 121.75 3dhc n HIS 109 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3dhc n HIS 109 Cb 0.42 -0.09 0.01 0.00 1.12 0.00 0.00 29.99 31.45 3dhc n HIS 109 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3dhc n ALA 110 N -1.66 1.48 0.28 -1.41 0.00 -0.68 -1.23 120.51 117.29 3dhc n ALA 110 Ca -0.01 -0.80 0.16 0.00 0.00 0.00 0.00 53.44 52.78 3dhc n ALA 110 Cb 0.14 -0.05 0.82 0.00 0.00 0.00 0.00 19.45 20.35 3dhc n ALA 110 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3dhc h GLY 111 N 0.00 0.00 -1.91 0.00 0.00 -0.50 -1.70 103.07 98.96 3dhc h GLY 111 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dhc h GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3dhc n GLY 112 N -0.60 1.43 0.28 4.60 0.00 -1.11 -3.77 105.19 106.02 3dhc n GLY 112 Ca -0.01 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.45 3dhc n GLY 112 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dhc h ASN 113 N 3.28 0.32 0.33 1.61 4.21 -1.55 -2.06 115.58 121.72 3dhc h ASN 113 Ca 0.00 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.48 3dhc h ASN 113 Cb 0.74 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 37.86 3dhc h ASN 113 CO 0.00 0.31 0.00 1.23 -1.29 0.00 0.00 177.43 177.68 3dhc h GLY 114 N 0.53 0.00 2.00 2.83 0.00 -1.80 -1.36 103.07 105.27 3dhc h GLY 114 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3dhc h GLY 114 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.53 3dhc h ALA 115 N 2.06 1.00 -3.04 3.60 0.00 -1.73 -3.39 119.26 117.77 3dhc h ALA 115 Ca 0.00 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 54.20 3dhc h ALA 115 Cb 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.62 3dhc h ALA 115 CO 0.00 0.00 -0.42 -0.06 0.00 0.00 0.00 179.25 178.77 3dhc s PHE 116 N -3.52 3.50 -1.40 0.00 0.08 -0.51 -4.85 117.98 111.27 3dhc s PHE 116 Ca 0.02 -2.41 0.19 0.00 0.12 0.00 0.00 56.93 54.85 3dhc s PHE 116 Cb 0.09 -3.30 -0.08 0.00 -0.57 0.00 0.00 43.02 39.16 3dhc s PHE 116 CO 0.45 -0.93 0.89 0.25 -0.10 0.00 0.00 175.22 175.79 3dhc n THR 117 N 4.22 0.00 -0.02 0.64 -2.24 -1.26 -4.53 114.28 111.08 3dhc n THR 117 Ca 0.01 -0.21 -0.02 0.00 -2.27 0.00 0.00 64.05 61.57 3dhc n THR 117 Cb 0.40 1.14 -0.02 0.00 -2.10 0.00 0.00 70.33 69.74 3dhc n THR 117 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3dhc n ASN 118 N -0.62 4.07 -4.74 3.42 3.02 -1.26 -4.29 115.26 114.87 3dhc n ASN 118 Ca 0.06 -0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.19 3dhc n ASN 118 Cb 0.36 0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.93 3dhc n ASN 118 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3dhc s THR 119 N -2.08 3.20 0.25 3.41 2.01 -1.26 -4.82 115.64 116.35 3dhc s THR 119 Ca -0.03 0.99 -0.30 0.00 0.31 0.00 0.00 61.69 62.66 3dhc s THR 119 Cb 0.01 -3.63 -0.10 0.00 0.01 0.00 0.00 72.50 68.79 3dhc s THR 119 CO 0.13 0.15 1.43 -2.84 -0.69 0.00 0.00 174.62 172.80 3dhc s PRO 120 N -0.14 4.27 -0.34 4.92 0.02 -1.26 -4.48 135.00 138.00 3dhc s PRO 120 Ca 0.57 2.29 -0.08 0.00 0.02 0.00 0.00 61.00 63.79 3dhc s PRO 120 Cb -0.37 -3.11 0.02 0.00 0.02 0.00 0.00 34.50 31.07 3dhc s PRO 120 CO 0.38 -0.41 0.14 0.42 -0.33 0.00 0.00 177.00 177.20 3dhc s ILE 121 N -0.05 4.15 -0.22 2.83 1.01 -0.32 -1.13 121.20 127.48 3dhc s ILE 121 Ca 0.59 -0.89 -0.24 0.00 0.00 0.00 0.00 60.65 60.11 3dhc s ILE 121 Cb -0.42 -3.27 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 3dhc s ILE 121 CO 0.43 -0.12 0.79 -0.63 0.00 0.00 0.00 174.94 175.42 3dhc s ILE 122 N 1.49 4.88 -0.03 2.92 1.01 0.93 -0.28 121.20 132.12 3dhc s ILE 122 Ca 0.01 1.51 -0.09 0.00 0.00 0.00 0.00 60.65 62.08 3dhc s ILE 122 Cb -0.19 -4.09 0.01 0.00 0.01 0.00 0.00 42.46 38.21 3dhc s ILE 122 CO 0.04 -0.02 0.20 0.54 0.00 0.00 0.00 174.94 175.71 3dhc s VAL 123 N 2.52 0.05 0.37 2.92 0.11 -1.03 -1.03 120.40 124.31 3dhc s VAL 123 Ca 0.34 -0.42 -0.27 0.00 -2.93 0.00 0.00 61.98 58.71 3dhc s VAL 123 Cb -0.16 -0.44 -0.09 0.00 -1.53 0.00 0.00 36.38 34.16 3dhc s VAL 123 CO 0.09 -0.23 1.21 -1.10 -3.33 0.00 0.00 175.10 171.74 3dhc s GLN 124 N -0.89 4.18 0.24 1.54 -1.52 -1.26 -1.50 119.66 120.45 3dhc s GLN 124 Ca -0.10 1.97 -0.06 0.00 -1.95 0.00 0.00 55.36 55.23 3dhc s GLN 124 Cb -0.05 -2.85 0.32 0.00 -0.22 0.00 0.00 33.01 30.21 3dhc s GLN 124 CO 0.02 -0.25 1.86 -0.09 -0.25 0.00 0.00 175.29 176.58 3dhc h ARG 125 N 2.97 0.98 0.00 2.91 2.43 -1.17 -0.10 114.38 122.40 3dhc h ARG 125 Ca -0.49 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.60 3dhc h ARG 125 Cb 1.23 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3dhc h ARG 125 CO 0.64 0.65 -0.10 1.79 -1.51 0.00 0.00 179.97 181.44 3dhc h THR 126 N 1.01 0.28 0.20 0.20 1.35 -1.88 -0.07 112.91 114.00 3dhc h THR 126 Ca 0.37 -0.72 -0.27 0.00 -0.55 0.00 0.00 66.41 65.24 3dhc h THR 126 Cb 0.12 1.56 0.03 0.00 -1.73 0.00 0.00 68.15 68.13 3dhc h THR 126 CO -0.16 0.10 -1.20 -0.08 -0.25 0.00 0.00 175.52 173.93 3dhc h GLU 127 N 0.00 0.42 -0.20 4.72 4.57 -1.40 -2.46 114.58 120.22 3dhc h GLU 127 Ca -0.00 -0.72 0.03 0.00 -1.18 0.00 0.00 59.36 57.49 3dhc h GLU 127 Cb 0.55 0.27 -0.03 0.00 -0.16 0.00 0.00 28.75 29.38 3dhc h GLU 127 CO 0.01 1.34 0.03 -0.92 -1.18 0.00 0.00 179.01 178.29 3dhc h TYR 128 N -0.10 0.04 -0.97 0.92 3.20 -0.83 -0.81 116.97 118.42 3dhc h TYR 128 Ca -0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.67 3dhc h TYR 128 Cb 1.92 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 40.16 3dhc h TYR 128 CO 0.16 0.00 0.61 0.93 -1.64 0.00 0.00 178.16 178.22 3dhc h GLU 129 N 0.10 1.30 -0.66 1.82 5.08 -1.08 -2.29 114.58 118.83 3dhc h GLU 129 Ca 0.09 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3dhc h GLU 129 Cb 0.09 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 3dhc h GLU 129 CO -0.13 0.89 0.23 0.00 -1.00 0.00 0.00 179.01 179.00 3dhc h ALA 130 N 1.34 0.87 0.00 3.43 0.00 -0.96 -2.74 119.26 121.20 3dhc h ALA 130 Ca 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3dhc h ALA 130 Cb -0.10 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.43 3dhc h ALA 130 CO -0.07 0.51 -0.07 0.00 0.00 0.00 0.00 179.25 179.63 3dhc h ALA 131 N 1.10 1.05 0.00 0.00 0.00 -0.62 -0.52 119.26 120.28 3dhc h ALA 131 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3dhc h ALA 131 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3dhc h ALA 131 CO -0.01 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.60 3dhc n LEU 132 N -3.24 0.18 0.00 0.00 4.77 -0.97 -4.41 117.00 113.33 3dhc n LEU 132 Ca -0.00 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 3dhc n LEU 132 Cb 0.28 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3dhc n LEU 132 CO 0.28 -0.35 0.00 0.00 -1.33 0.00 0.00 177.39 175.98 3dhc n HIS 133 N -1.70 0.00 -2.45 -1.77 1.44 -0.66 -5.11 115.22 104.97 3dhc n HIS 133 Ca 0.03 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.35 3dhc n HIS 133 Cb 0.17 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.25 3dhc n HIS 133 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 3dhc s ARG 134 N -0.12 4.40 0.48 -1.40 0.52 -0.29 -4.92 118.95 117.61 3dhc s ARG 134 Ca 0.00 1.74 0.32 0.00 -0.52 0.00 0.00 55.73 57.27 3dhc s ARG 134 Cb 0.00 -2.91 1.41 0.00 0.52 0.00 0.00 34.95 33.97 3dhc s ARG 134 CO 0.00 0.01 1.96 1.05 0.02 0.00 0.00 175.30 178.33 3dhc h GLU 135 N 3.22 0.00 -0.00 3.54 4.11 -1.95 -2.74 114.58 120.76 3dhc h GLU 135 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 3dhc h GLU 135 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3dhc h GLU 135 CO 0.65 0.00 0.00 -0.85 0.07 0.00 0.00 179.01 178.88 3dhc n GLU 136 N -2.83 1.01 -3.74 1.06 0.00 -1.26 -4.77 120.64 110.11 3dhc n GLU 136 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 57.16 56.78 3dhc n GLU 136 Cb 0.24 -1.39 -0.10 0.00 0.00 0.00 0.00 31.44 30.19 3dhc n GLU 136 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3dhc s TYR 137 N -2.00 3.28 0.32 -1.84 1.51 -1.04 -4.71 117.35 112.88 3dhc s TYR 137 Ca 0.37 0.13 -0.23 0.00 -1.01 0.00 0.00 57.07 56.34 3dhc s TYR 137 Cb 0.17 -2.22 -0.10 0.00 -0.11 0.00 0.00 41.96 39.70 3dhc s TYR 137 CO 0.29 0.05 0.87 -1.64 -1.11 0.00 0.00 175.55 174.01 3dhc s MET 138 N 0.95 4.39 0.52 -0.62 -1.94 -1.26 -4.97 119.30 116.37 3dhc s MET 138 Ca 0.06 1.13 0.20 0.00 -1.71 0.00 0.00 55.69 55.38 3dhc s MET 138 Cb -0.13 -2.68 1.32 0.00 2.01 0.00 0.00 34.83 35.34 3dhc s MET 138 CO 0.03 0.24 2.06 0.87 -0.01 0.00 0.00 175.02 178.22 3dhc h LYS 139 N 2.94 0.03 0.00 2.03 1.79 -1.96 -0.24 116.57 121.15 3dhc h LYS 139 Ca -0.48 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.99 3dhc h LYS 139 Cb 1.19 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3dhc h LYS 139 CO 0.64 0.02 0.00 0.93 -1.08 0.00 0.00 179.45 179.96 3dhc h GLU 140 N 0.03 0.00 -0.16 3.15 3.07 -1.94 -2.43 114.58 116.30 3dhc h GLU 140 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3dhc h GLU 140 Cb 0.53 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.44 3dhc h GLU 140 CO -0.01 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.60 3dhc n ILE 142 N 1.40 0.86 -2.02 0.00 0.13 -0.92 -4.93 119.36 113.89 3dhc n ILE 142 Ca 0.16 -2.59 -0.40 0.00 -1.10 0.00 0.00 62.75 58.82 3dhc n ILE 142 Cb 0.60 0.97 -0.00 0.00 -0.84 0.00 0.00 39.64 40.37 3dhc n ILE 142 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 3dhc s LEU 143 N -3.48 4.22 0.35 9.51 1.43 -1.22 -4.91 118.68 124.59 3dhc s LEU 143 Ca 0.24 2.71 0.19 0.00 -1.03 0.00 0.00 54.13 56.24 3dhc s LEU 143 Cb 0.40 -3.88 0.37 0.00 0.03 0.00 0.00 46.19 43.11 3dhc s LEU 143 CO -0.02 -0.87 1.59 1.55 0.23 0.00 0.00 176.35 178.82 3dhc h PRO 144 N 2.70 0.00 -0.22 1.29 0.13 -1.99 -3.33 132.00 130.57 3dhc h PRO 144 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3dhc h PRO 144 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3dhc h PRO 144 CO 0.63 0.35 0.00 0.72 -0.23 0.00 0.00 178.00 179.46 3dhc n HIS 145 N -3.26 0.55 -1.33 1.56 8.25 -1.26 -5.00 115.22 114.73 3dhc n HIS 145 Ca 0.02 -0.73 -0.30 0.00 -0.26 0.00 0.00 57.72 56.45 3dhc n HIS 145 Cb 0.61 -0.17 0.13 0.00 1.12 0.00 0.00 29.99 31.68 3dhc n HIS 145 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3dhc s LEU 146 N -2.06 2.24 -1.32 2.41 1.43 -1.25 -4.91 118.68 115.22 3dhc s LEU 146 Ca 0.30 1.34 -0.12 0.00 -1.03 0.00 0.00 54.13 54.62 3dhc s LEU 146 Cb 0.22 -3.78 0.13 0.00 0.03 0.00 0.00 46.19 42.79 3dhc s LEU 146 CO 0.09 -2.50 1.89 -3.20 0.23 0.00 0.00 176.35 172.85 3dhc n ASN 147 N -3.78 4.78 -4.76 2.29 4.05 -1.26 -4.98 115.26 111.60 3dhc n ASN 147 Ca 0.07 -3.00 -0.41 0.00 0.45 0.00 0.00 54.58 51.69 3dhc n ASN 147 Cb 0.56 -1.57 -0.03 0.00 1.23 0.00 0.00 39.78 39.98 3dhc n ASN 147 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 177.26 173.90 3dhc s TYR 148 N 1.67 3.18 -0.57 1.20 2.02 -1.26 -1.17 117.35 122.41 3dhc s TYR 148 Ca 0.43 1.37 0.00 0.00 -0.37 0.00 0.00 57.07 58.50 3dhc s TYR 148 Cb 0.08 -3.62 0.15 0.00 -0.40 0.00 0.00 41.96 38.17 3dhc s TYR 148 CO -0.01 -1.76 0.35 0.21 -1.57 0.00 0.00 175.55 172.77 3dhc s LYS 149 N -1.15 2.28 0.13 -0.62 2.20 0.61 -4.79 119.74 118.39 3dhc s LYS 149 Ca 0.51 -2.54 -0.30 0.00 -0.36 0.00 0.00 55.97 53.28 3dhc s LYS 149 Cb -0.38 -3.54 -0.06 0.00 -1.51 0.00 0.00 37.83 32.34 3dhc s LYS 149 CO 0.46 -1.14 1.06 0.42 -0.36 0.00 0.00 175.35 175.80 3dhc s ILE 150 N -0.12 4.15 0.24 5.43 1.01 -1.26 -2.48 121.20 128.18 3dhc s ILE 150 Ca 0.17 1.76 0.07 0.00 0.00 0.00 0.00 60.65 62.65 3dhc s ILE 150 Cb -0.23 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 3dhc s ILE 150 CO -0.02 0.26 -0.10 0.27 0.00 0.00 0.00 174.94 175.35 3dhc s ILE 151 N 0.10 1.69 -0.24 2.92 -4.36 -0.56 -4.93 121.20 115.82 3dhc s ILE 151 Ca 0.50 -2.17 -0.01 0.00 -0.26 0.00 0.00 60.65 58.71 3dhc s ILE 151 Cb -0.27 -2.24 0.07 0.00 1.25 0.00 0.00 42.46 41.27 3dhc s ILE 151 CO 0.32 -0.45 0.02 -1.61 0.24 0.00 0.00 174.94 173.46 3dhc s GLU 152 N -3.69 1.05 1.31 0.37 8.01 -1.26 -0.53 118.70 123.97 3dhc s GLU 152 Ca 0.26 -0.82 0.00 0.00 0.01 0.00 0.00 54.97 54.42 3dhc s GLU 152 Cb 0.01 -2.30 0.00 0.00 -4.31 0.00 0.00 34.13 27.53 3dhc s GLU 152 CO 0.09 -0.71 0.00 0.41 0.01 0.00 0.00 175.26 175.06 3dhc n GLY 153 N 4.84 -1.05 3.76 -1.39 0.00 -1.26 -4.93 105.19 105.16 3dhc n GLY 153 Ca -0.08 -1.55 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 3dhc n GLY 153 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dhc s ASP 154 N -4.00 4.82 -0.28 1.61 1.11 -1.26 -4.44 116.67 114.24 3dhc s ASP 154 Ca 0.00 2.05 -0.22 0.00 0.18 0.00 0.00 52.55 54.56 3dhc s ASP 154 Cb 0.00 -2.56 0.08 0.00 1.07 0.00 0.00 42.92 41.52 3dhc s ASP 154 CO 0.00 -1.83 0.76 -0.47 1.18 0.00 0.00 175.17 174.82 3dhc s TYR 155 N -2.34 -0.82 -0.30 4.23 5.04 -0.80 -4.99 117.35 117.38 3dhc s TYR 155 Ca 0.68 1.85 -0.16 0.00 -2.44 0.00 0.00 57.07 57.00 3dhc s TYR 155 Cb -0.22 0.38 -0.03 0.00 0.35 0.00 0.00 41.96 42.45 3dhc s TYR 155 CO 0.44 -0.40 0.41 -2.00 -1.34 0.00 0.00 175.55 172.66 3dhc s GLU 156 N 0.75 3.87 -0.11 4.97 2.12 -1.26 -0.22 118.70 128.81 3dhc s GLU 156 Ca -0.03 -0.05 -0.17 0.00 0.36 0.00 0.00 54.97 55.08 3dhc s GLU 156 Cb -0.05 -3.71 -0.15 0.00 0.26 0.00 0.00 34.13 30.48 3dhc s GLU 156 CO -0.06 -0.40 0.52 0.28 -0.54 0.00 0.00 175.26 175.06 3dhc h VAL 157 N 5.46 1.00 -4.08 3.70 2.07 -1.36 -3.48 116.25 119.55 3dhc h VAL 157 Ca -0.30 -1.65 -0.14 0.00 0.82 0.00 0.00 66.70 65.43 3dhc h VAL 157 Cb 1.15 1.85 -0.12 0.00 -1.52 0.00 0.00 31.29 32.64 3dhc h VAL 157 CO 0.68 0.32 -0.37 0.68 0.02 0.00 0.00 177.57 178.90 3dhc s VAL 158 N -2.22 0.02 0.29 2.57 -7.23 -1.24 -5.05 120.40 107.54 3dhc s VAL 158 Ca -0.11 -1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 58.11 3dhc s VAL 158 Cb -0.01 -2.22 -0.12 0.00 0.56 0.00 0.00 36.38 34.58 3dhc s VAL 158 CO 0.41 -0.09 1.49 -2.65 -0.31 0.00 0.00 175.10 173.95 3dhc n PRO 159 N -0.29 2.42 -0.03 4.82 -0.02 -1.26 -1.11 135.00 139.53 3dhc n PRO 159 Ca -0.02 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.32 3dhc n PRO 159 Cb 0.64 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3dhc n PRO 159 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dhc n GLY 160 N 1.88 1.34 2.83 -1.23 0.00 -1.23 -3.98 105.19 104.80 3dhc n GLY 160 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 3dhc n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dhc s VAL 161 N -2.49 1.22 -0.06 1.61 1.01 -0.26 -0.79 120.40 120.64 3dhc s VAL 161 Ca 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 61.98 60.59 3dhc s VAL 161 Cb 0.00 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 3dhc s VAL 161 CO 0.00 -0.48 -0.11 -1.10 0.00 0.00 0.00 175.10 173.41 3dhc s GLN 162 N 1.47 2.61 -0.17 2.72 -1.52 -0.20 -0.83 119.66 123.73 3dhc s GLN 162 Ca 0.05 -0.63 -0.08 0.00 -1.95 0.00 0.00 55.36 52.75 3dhc s GLN 162 Cb -0.18 -2.47 -0.04 0.00 -0.22 0.00 0.00 33.01 30.10 3dhc s GLN 162 CO -0.16 0.64 0.10 -0.51 -0.25 0.00 0.00 175.29 175.11 3dhc s LEU 163 N -0.77 4.04 -0.21 2.90 1.43 0.69 -0.62 118.68 126.15 3dhc s LEU 163 Ca 0.12 0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 3dhc s LEU 163 Cb -0.11 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.09 3dhc s LEU 163 CO 0.01 0.23 -0.07 -0.76 0.23 0.00 0.00 176.35 175.99 3dhc s LEU 164 N 0.02 2.79 -0.07 1.79 1.43 -0.10 -1.90 118.68 122.63 3dhc s LEU 164 Ca 0.08 -0.42 -0.30 0.00 -1.03 0.00 0.00 54.13 52.46 3dhc s LEU 164 Cb -0.12 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 3dhc s LEU 164 CO 0.00 -0.00 1.43 -0.47 0.23 0.00 0.00 176.35 177.54 3dhc s TYR 165 N 1.37 2.59 -0.39 0.29 6.04 -1.26 -0.86 117.35 125.12 3dhc s TYR 165 Ca 0.04 0.69 0.12 0.00 0.04 0.00 0.00 57.07 57.97 3dhc s TYR 165 Cb -0.14 -3.68 0.35 0.00 -1.04 0.00 0.00 41.96 37.45 3dhc s TYR 165 CO -0.04 -2.62 0.76 0.25 -1.54 0.00 0.00 175.55 172.37 3dhc n THR 166 N 5.14 0.19 -1.17 4.34 -2.24 0.18 -4.92 114.28 115.80 3dhc n THR 166 Ca 0.15 -4.62 -0.31 0.00 -2.27 0.00 0.00 64.05 57.00 3dhc n THR 166 Cb 0.44 -0.33 0.12 0.00 -2.10 0.00 0.00 70.33 68.45 3dhc n THR 166 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3dhc s PRO 167 N -2.56 1.75 0.00 -0.78 0.04 -1.12 -4.43 135.00 127.90 3dhc s PRO 167 Ca 0.40 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.54 3dhc s PRO 167 Cb 0.35 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 33.04 3dhc s PRO 167 CO -0.08 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.39 3dhc n GLY 168 N -1.00 3.03 0.37 0.56 0.00 -1.26 -3.75 105.19 103.14 3dhc n GLY 168 Ca 0.09 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.59 3dhc n GLY 168 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3dhc h HIS 169 N 0.00 1.18 -4.10 1.61 -0.00 -1.79 0.12 115.15 112.17 3dhc h HIS 169 Ca 0.00 0.03 -0.24 0.00 -0.00 0.00 0.00 60.37 60.16 3dhc h HIS 169 Cb 0.00 -0.38 -0.15 0.00 -0.00 0.00 0.00 27.41 26.88 3dhc h HIS 169 CO 0.00 0.57 -0.65 -1.54 -0.00 0.00 0.00 177.93 176.31 3dhc s SER 170 N -5.84 0.76 0.44 3.26 1.04 -1.26 -1.04 113.70 111.06 3dhc s SER 170 Ca -0.12 -1.20 0.16 0.00 0.48 0.00 0.00 55.95 55.27 3dhc s SER 170 Cb 0.21 0.21 1.00 0.00 0.10 0.00 0.00 66.02 67.53 3dhc s SER 170 CO 0.81 -0.66 1.96 -0.65 0.98 0.00 0.00 173.24 175.69 3dhc h PRO 171 N 2.77 0.00 -0.43 4.02 0.11 -1.86 -3.05 132.00 133.57 3dhc h PRO 171 Ca -0.36 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.44 3dhc h PRO 171 Cb 1.20 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.96 3dhc h PRO 171 CO 0.61 0.22 -0.90 0.41 -0.21 0.00 0.00 178.00 178.13 3dhc n GLY 172 N -0.83 3.93 3.77 -0.55 0.00 -1.26 -4.62 105.19 105.64 3dhc n GLY 172 Ca -0.02 -1.68 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 3dhc n GLY 172 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3dhc s HIS 173 N -3.13 2.58 0.01 1.61 2.46 -1.15 -4.49 115.29 113.18 3dhc s HIS 173 Ca 0.39 1.23 0.02 0.00 0.47 0.00 0.00 55.06 57.17 3dhc s HIS 173 Cb 0.37 -3.94 -0.01 0.00 -0.13 0.00 0.00 32.58 28.87 3dhc s HIS 173 CO -0.03 -2.85 -0.06 1.14 -2.47 0.00 0.00 174.74 170.47 3dhc s GLN 174 N -2.21 0.46 0.43 2.88 -2.07 -0.34 -0.64 119.66 118.16 3dhc s GLN 174 Ca 0.56 -0.31 0.08 0.00 -1.82 0.00 0.00 55.36 53.87 3dhc s GLN 174 Cb -0.45 -0.41 -0.01 0.00 -1.09 0.00 0.00 33.01 31.06 3dhc s GLN 174 CO 0.59 0.11 0.42 -1.12 -1.32 0.00 0.00 175.29 173.96 3dhc s SER 175 N -0.41 5.12 -0.03 12.60 0.01 -0.04 -4.61 113.70 126.33 3dhc s SER 175 Ca -0.00 -0.72 0.07 0.00 1.31 0.00 0.00 55.95 56.61 3dhc s SER 175 Cb -0.04 -0.53 -0.02 0.00 0.21 0.00 0.00 66.02 65.65 3dhc s SER 175 CO -0.00 -0.70 -0.24 -0.76 0.41 0.00 0.00 173.24 171.95 3dhc s LEU 176 N -4.18 2.05 -0.22 2.44 1.02 -0.61 -0.93 118.68 118.25 3dhc s LEU 176 Ca 0.49 -0.46 0.02 0.00 0.02 0.00 0.00 54.13 54.20 3dhc s LEU 176 Cb -0.04 -1.28 0.04 0.00 0.02 0.00 0.00 46.19 44.93 3dhc s LEU 176 CO 0.29 0.28 -0.13 0.12 0.02 0.00 0.00 176.35 176.92 3dhc s PHE 177 N -0.41 2.89 -0.02 0.29 2.19 0.21 -0.74 117.98 122.39 3dhc s PHE 177 Ca 0.04 -1.93 0.07 0.00 0.33 0.00 0.00 56.93 55.44 3dhc s PHE 177 Cb -0.11 -1.84 -0.02 0.00 -1.31 0.00 0.00 43.02 39.74 3dhc s PHE 177 CO 0.01 -0.82 -0.23 0.42 1.83 0.00 0.00 175.22 176.42 3dhc s ILE 178 N 1.24 2.31 -0.27 3.12 -1.09 0.45 -1.04 121.20 125.92 3dhc s ILE 178 Ca -0.03 -1.06 -0.06 0.00 -2.23 0.00 0.00 60.65 57.27 3dhc s ILE 178 Cb -0.17 -1.84 -0.00 0.00 -1.58 0.00 0.00 42.46 38.87 3dhc s ILE 178 CO -0.08 0.55 0.05 -0.70 -1.23 0.00 0.00 174.94 173.53 3dhc s GLU 179 N -0.73 3.27 0.11 2.79 2.56 0.03 0.06 118.70 126.78 3dhc s GLU 179 Ca 0.11 -0.73 0.05 0.00 0.00 0.00 0.00 54.97 54.39 3dhc s GLU 179 Cb -0.10 -3.27 -0.04 0.00 2.00 0.00 0.00 34.13 32.72 3dhc s GLU 179 CO -0.00 -0.33 0.06 0.95 -0.56 0.00 0.00 175.26 175.37 3dhc s THR 180 N 1.51 4.25 0.26 -1.70 -4.23 0.04 -0.37 115.64 115.40 3dhc s THR 180 Ca 0.04 -0.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.51 3dhc s THR 180 Cb -0.16 -3.08 0.25 0.00 1.34 0.00 0.00 72.50 70.85 3dhc s THR 180 CO 0.01 0.04 1.93 -0.08 -0.54 0.00 0.00 174.62 175.98 3dhc h GLU 181 N 3.07 1.27 0.00 3.99 4.81 -1.10 -0.03 114.58 126.60 3dhc h GLU 181 Ca -0.47 -0.09 -0.14 0.00 -0.13 0.00 0.00 59.36 58.54 3dhc h GLU 181 Cb 1.18 -0.28 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 3dhc h GLU 181 CO 0.62 0.85 -0.82 1.96 -0.73 0.00 0.00 179.01 180.90 3dhc h GLN 182 N 1.30 0.00 0.00 1.92 1.08 -1.83 -3.40 115.11 114.18 3dhc h GLN 182 Ca 0.35 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 3dhc h GLN 182 Cb -0.13 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3dhc h GLN 182 CO -0.07 0.50 -0.32 0.43 -0.95 0.00 0.00 178.83 178.42 3dhc n SER 183 N -3.15 1.58 0.00 1.46 7.64 -1.19 -5.12 113.62 114.85 3dhc n SER 183 Ca -0.02 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.68 3dhc n SER 183 Cb 0.79 0.69 0.00 0.00 -1.01 0.00 0.00 64.21 64.68 3dhc n SER 183 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dhc n GLY 184 N 1.17 0.81 3.72 0.23 0.00 -0.03 -4.87 105.19 106.21 3dhc n GLY 184 Ca 0.00 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 3dhc n GLY 184 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dhc s SER 185 N -4.00 7.36 -0.06 1.61 0.01 -1.26 -0.78 113.70 116.58 3dhc s SER 185 Ca 0.00 1.75 0.02 0.00 1.31 0.00 0.00 55.95 59.03 3dhc s SER 185 Cb 0.00 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.67 3dhc s SER 185 CO 0.00 -0.24 -0.10 -0.69 0.41 0.00 0.00 173.24 172.62 3dhc s VAL 186 N 0.75 0.94 -0.27 3.43 1.01 0.11 -1.81 120.40 124.56 3dhc s VAL 186 Ca 0.52 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 3dhc s VAL 186 Cb -0.23 -0.88 -0.00 0.00 0.00 0.00 0.00 36.38 35.27 3dhc s VAL 186 CO 0.29 0.31 0.06 -0.22 0.00 0.00 0.00 175.10 175.53 3dhc s LEU 187 N 0.69 3.58 -0.51 3.92 2.96 -0.22 -0.41 118.68 128.68 3dhc s LEU 187 Ca -0.13 -0.52 -0.16 0.00 -0.22 0.00 0.00 54.13 53.10 3dhc s LEU 187 Cb -0.15 -1.87 0.10 0.00 0.50 0.00 0.00 46.19 44.77 3dhc s LEU 187 CO 0.03 -0.12 0.47 -0.76 -1.32 0.00 0.00 176.35 174.64 3dhc s LEU 188 N 1.53 5.80 0.46 -0.68 1.43 0.08 -0.96 118.68 126.34 3dhc s LEU 188 Ca 0.04 -1.49 0.21 0.00 -1.03 0.00 0.00 54.13 51.86 3dhc s LEU 188 Cb -0.16 -2.22 1.14 0.00 0.03 0.00 0.00 46.19 44.98 3dhc s LEU 188 CO 0.02 -0.78 1.98 0.71 0.23 0.00 0.00 176.35 178.52 3dhc h THR 189 N 5.83 0.87 0.00 5.49 1.35 -1.49 -1.62 112.91 123.34 3dhc h THR 189 Ca -0.29 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 3dhc h THR 189 Cb 1.10 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 3dhc h THR 189 CO 0.96 0.19 0.00 -0.38 -0.25 0.00 0.00 175.52 176.05 3dhc n ILE 190 N -3.90 0.00 0.65 6.82 2.08 -1.26 -1.99 119.36 121.76 3dhc n ILE 190 Ca -0.02 0.00 0.04 0.00 0.56 0.00 0.00 62.75 63.33 3dhc n ILE 190 Cb 0.29 0.00 0.16 0.00 -0.75 0.00 0.00 39.64 39.33 3dhc n ILE 190 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3dhc n ASP 191 N 0.99 2.28 0.08 4.38 9.92 -1.26 -2.17 116.55 130.77 3dhc n ASP 191 Ca 0.00 -2.17 0.09 0.00 -0.53 0.00 0.00 54.79 52.18 3dhc n ASP 191 Cb 0.00 -0.37 0.40 0.00 -0.64 0.00 0.00 41.12 40.51 3dhc n ASP 191 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3dhc n ALA 192 N 0.37 1.53 -3.63 2.24 0.00 -0.84 -4.46 120.51 115.72 3dhc n ALA 192 Ca 0.11 0.04 -0.01 0.00 0.00 0.00 0.00 53.44 53.58 3dhc n ALA 192 Cb 0.43 -1.29 -0.04 0.00 0.00 0.00 0.00 19.45 18.55 3dhc n ALA 192 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3dhc s SER 193 N -3.68 -1.08 0.21 0.00 0.01 -1.18 -4.77 113.70 103.21 3dhc s SER 193 Ca 0.04 1.50 -0.08 0.00 1.31 0.00 0.00 55.95 58.72 3dhc s SER 193 Cb 0.08 2.22 0.14 0.00 0.21 0.00 0.00 66.02 68.67 3dhc s SER 193 CO 0.29 -0.22 1.74 1.88 0.41 0.00 0.00 173.24 177.34 3dhc h TYR 194 N 8.02 1.19 -3.49 2.43 0.05 -1.78 -1.65 116.97 121.74 3dhc h TYR 194 Ca -0.18 -0.13 -0.33 0.00 0.05 0.00 0.00 58.73 58.15 3dhc h TYR 194 Cb 1.10 -0.34 -0.15 0.00 1.01 0.00 0.00 36.73 38.35 3dhc h TYR 194 CO 0.17 0.95 -0.68 0.95 -1.05 0.00 0.00 178.16 178.49 3dhc s THR 195 N -5.37 0.97 0.28 -2.88 -4.23 -1.26 -0.51 115.64 102.64 3dhc s THR 195 Ca -0.12 -2.02 0.01 0.00 -1.18 0.00 0.00 61.69 58.38 3dhc s THR 195 Cb 0.15 -2.06 0.26 0.00 1.34 0.00 0.00 72.50 72.20 3dhc s THR 195 CO 0.84 -0.56 1.79 0.50 -0.54 0.00 0.00 174.62 176.66 3dhc h LYS 196 N 2.67 0.74 0.00 3.99 3.64 -1.96 -1.25 116.57 124.40 3dhc h LYS 196 Ca -0.37 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 58.88 3dhc h LYS 196 Cb 1.20 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 3dhc h LYS 196 CO 0.64 0.49 -0.43 1.05 -2.27 0.00 0.00 179.45 178.93 3dhc h GLU 197 N 0.76 0.00 -0.41 1.90 4.11 -1.96 0.21 114.58 119.19 3dhc h GLU 197 Ca 0.50 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.91 3dhc h GLU 197 Cb 0.66 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3dhc h GLU 197 CO -0.34 0.43 0.16 -0.91 0.07 0.00 0.00 179.01 178.43 3dhc h ASN 198 N 0.00 0.52 0.00 3.06 -0.26 -1.42 -1.80 115.58 115.68 3dhc h ASN 198 Ca -0.00 -0.05 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 3dhc h ASN 198 Cb 0.95 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 38.08 3dhc h ASN 198 CO 0.06 0.48 -0.12 0.15 -1.06 0.00 0.00 177.43 176.93 3dhc h PHE 199 N 0.58 0.00 -0.10 1.19 3.04 -1.08 -2.76 116.94 117.80 3dhc h PHE 199 Ca 0.14 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 3dhc h PHE 199 Cb 0.12 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.62 3dhc h PHE 199 CO 0.01 0.00 0.06 0.93 -2.02 0.00 0.00 178.31 177.28 3dhc h GLU 200 N -0.70 0.15 -0.06 1.11 5.08 -0.72 -3.16 114.58 116.28 3dhc h GLU 200 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3dhc h GLU 200 Cb 0.12 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3dhc h GLU 200 CO 0.00 0.19 0.00 -0.25 -1.00 0.00 0.00 179.01 177.95 3dhc n ASP 201 N -4.96 2.71 -3.11 1.42 8.00 -0.73 -4.97 116.55 114.91 3dhc n ASP 201 Ca -0.05 -1.89 -0.23 0.00 0.71 0.00 0.00 54.79 53.33 3dhc n ASP 201 Cb 0.08 -0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.18 3dhc n ASP 201 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3dhc n GLU 202 N 1.10 -4.43 -2.21 -1.24 1.02 -0.91 -4.91 120.64 109.06 3dhc n GLU 202 Ca 0.15 0.78 -0.42 0.00 -0.02 0.00 0.00 57.16 57.65 3dhc n GLU 202 Cb 0.55 -5.60 -0.03 0.00 -0.02 0.00 0.00 31.44 26.34 3dhc n GLU 202 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3dhc s VAL 203 N -3.10 3.71 0.54 2.62 1.01 -1.01 -4.96 120.40 119.22 3dhc s VAL 203 Ca 0.33 1.07 -0.21 0.00 0.00 0.00 0.00 61.98 63.16 3dhc s VAL 203 Cb -0.15 -3.69 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 3dhc s VAL 203 CO 0.40 -0.02 1.26 -2.84 0.00 0.00 0.00 175.10 173.90 3dhc s PRO 204 N 2.65 3.25 0.30 2.72 0.02 -1.26 -4.31 135.00 138.37 3dhc s PRO 204 Ca 0.64 1.98 -0.00 0.00 0.02 0.00 0.00 61.00 63.64 3dhc s PRO 204 Cb -0.31 -2.19 -0.02 0.00 0.02 0.00 0.00 34.50 32.00 3dhc s PRO 204 CO 0.26 -1.02 0.35 -0.59 -0.33 0.00 0.00 177.00 175.67 3dhc s PHE 205 N -1.46 1.24 0.32 6.54 -0.12 -1.26 -0.60 117.98 122.65 3dhc s PHE 205 Ca 0.71 -1.38 -0.29 0.00 -0.05 0.00 0.00 56.93 55.93 3dhc s PHE 205 Cb -0.34 -0.35 -0.12 0.00 -0.63 0.00 0.00 43.02 41.58 3dhc s PHE 205 CO 0.39 -0.95 1.47 0.00 -0.05 0.00 0.00 175.22 176.08 3dhc n ALA 206 N -0.51 2.01 -3.61 1.99 0.00 -0.13 -4.90 120.51 115.36 3dhc n ALA 206 Ca 0.03 0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.79 3dhc n ALA 206 Cb 0.63 -2.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 3dhc n ALA 206 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3dhc s GLY 207 N 0.08 -0.18 0.21 0.00 0.00 -1.26 -4.84 107.32 101.33 3dhc s GLY 207 Ca 0.59 2.02 -0.08 0.00 0.00 0.00 0.00 44.72 47.26 3dhc s GLY 207 CO 0.57 0.76 1.78 -2.75 0.00 0.00 0.00 173.10 173.46 3dhc h PHE 208 N 2.08 1.20 -2.25 1.90 3.57 -0.64 -3.39 116.94 119.41 3dhc h PHE 208 Ca -0.09 -0.09 -0.48 0.00 3.53 0.00 0.00 57.97 60.84 3dhc h PHE 208 Cb 1.17 -0.36 -0.35 0.00 2.79 0.00 0.00 35.95 39.20 3dhc h PHE 208 CO 0.26 0.91 -0.79 0.34 -2.23 0.00 0.00 178.31 176.80 3dhc s ASP 209 N -6.34 1.92 0.45 0.41 3.68 -0.01 -5.03 116.67 111.75 3dhc s ASP 209 Ca -0.12 -2.03 0.18 0.00 2.13 0.00 0.00 52.55 52.71 3dhc s ASP 209 Cb 0.16 0.06 1.13 0.00 -1.45 0.00 0.00 42.92 42.82 3dhc s ASP 209 CO 0.84 -0.26 1.94 -0.65 0.13 0.00 0.00 175.17 177.16 3dhc h PRO 210 N 6.82 0.32 -0.29 4.34 0.11 -1.79 -0.48 132.00 141.02 3dhc h PRO 210 Ca 0.08 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.10 3dhc h PRO 210 Cb 1.00 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3dhc h PRO 210 CO 0.24 0.21 -0.11 1.49 -0.21 0.00 0.00 178.00 179.62 3dhc h GLU 211 N 0.32 0.59 -0.37 1.05 4.81 -1.95 -0.21 114.58 118.82 3dhc h GLU 211 Ca 0.34 -0.24 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 3dhc h GLU 211 Cb 0.88 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.22 3dhc h GLU 211 CO -0.09 0.81 -0.05 1.25 -0.73 0.00 0.00 179.01 180.20 3dhc h LEU 212 N 0.35 0.59 -0.96 1.64 5.85 -1.74 -1.71 115.31 119.32 3dhc h LEU 212 Ca 0.07 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3dhc h LEU 212 Cb 0.61 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3dhc h LEU 212 CO 0.04 0.69 0.22 0.00 -0.34 0.00 0.00 178.44 179.05 3dhc h ALA 213 N 1.37 1.17 -0.55 1.25 0.00 -0.73 -0.52 119.26 121.25 3dhc h ALA 213 Ca 0.11 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3dhc h ALA 213 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 3dhc h ALA 213 CO 0.02 0.59 -0.10 1.25 0.00 0.00 0.00 179.25 181.01 3dhc h LEU 214 N 0.95 1.03 -1.36 0.00 5.85 -0.63 -0.89 115.31 120.26 3dhc h LEU 214 Ca 0.21 -0.34 -0.06 0.00 0.84 0.00 0.00 57.88 58.54 3dhc h LEU 214 Cb 0.24 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 3dhc h LEU 214 CO -0.01 1.13 -0.21 0.77 -0.34 0.00 0.00 178.44 179.78 3dhc h SER 215 N 0.92 0.16 0.14 1.25 4.64 -0.76 0.14 113.55 120.03 3dhc h SER 215 Ca 0.14 -0.04 -0.13 0.00 -0.47 0.00 0.00 61.79 61.30 3dhc h SER 215 Cb 0.66 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3dhc h SER 215 CO 0.05 0.38 -0.46 0.28 -0.87 0.00 0.00 176.83 176.21 3dhc h SER 216 N 0.15 0.41 -0.58 4.97 0.02 -0.69 -0.21 113.55 117.63 3dhc h SER 216 Ca 0.03 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 60.73 3dhc h SER 216 Cb 0.46 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 3dhc h SER 216 CO 0.03 0.81 0.16 0.40 -1.14 0.00 0.00 176.83 177.09 3dhc h ILE 217 N 0.31 1.25 -0.79 3.27 2.04 -0.36 -0.64 117.51 122.58 3dhc h ILE 217 Ca 0.02 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.03 3dhc h ILE 217 Cb 0.93 0.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 3dhc h ILE 217 CO 0.08 0.32 0.52 0.11 0.00 0.00 0.00 178.15 179.18 3dhc h LYS 218 N 0.83 1.02 -0.25 2.37 1.79 -0.36 0.51 116.57 122.48 3dhc h LYS 218 Ca 0.18 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.53 3dhc h LYS 218 Cb 0.32 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3dhc h LYS 218 CO -0.00 0.68 -0.07 -0.09 -1.08 0.00 0.00 179.45 178.88 3dhc h ARG 219 N 1.05 0.49 -0.50 3.15 2.43 -0.77 -2.53 114.38 117.71 3dhc h ARG 219 Ca 0.29 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 3dhc h ARG 219 Cb -0.09 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3dhc h ARG 219 CO -0.07 0.73 0.29 -0.07 -1.51 0.00 0.00 179.97 179.33 3dhc h LEU 220 N 0.23 0.60 -1.26 3.80 3.38 -0.65 -1.50 115.31 119.92 3dhc h LEU 220 Ca 0.06 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 3dhc h LEU 220 Cb 0.55 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3dhc h LEU 220 CO 0.03 0.47 -0.31 0.11 0.09 0.00 0.00 178.44 178.83 3dhc h LYS 221 N 0.69 0.10 -0.53 1.13 1.57 -0.75 0.11 116.57 118.88 3dhc h LYS 221 Ca 0.18 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 3dhc h LYS 221 Cb -0.00 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3dhc h LYS 221 CO -0.03 0.41 0.14 0.93 -0.57 0.00 0.00 179.45 180.33 3dhc h GLU 222 N 0.09 0.84 -0.69 3.15 4.39 -0.87 -0.78 114.58 120.72 3dhc h GLU 222 Ca 0.01 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 3dhc h GLU 222 Cb 0.60 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.10 3dhc h GLU 222 CO 0.04 0.79 0.39 0.28 -1.16 0.00 0.00 179.01 179.36 3dhc h VAL 223 N 0.74 1.21 -0.91 3.13 2.07 -0.76 -2.45 116.25 119.28 3dhc h VAL 223 Ca 0.17 -0.49 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3dhc h VAL 223 Cb 0.32 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 30.33 3dhc h VAL 223 CO -0.00 0.22 0.50 0.58 0.02 0.00 0.00 177.57 178.89 3dhc h VAL 224 N 0.94 1.26 -0.78 2.57 2.07 -0.54 0.47 116.25 122.24 3dhc h VAL 224 Ca 0.24 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.11 3dhc h VAL 224 Cb 0.01 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 29.78 3dhc h VAL 224 CO -0.04 0.29 0.44 0.11 0.02 0.00 0.00 177.57 178.40 3dhc h LYS 225 N 1.27 1.08 -0.01 1.57 1.57 -0.87 0.31 116.57 121.48 3dhc h LYS 225 Ca 0.32 -0.12 -0.26 0.00 -1.87 0.00 0.00 60.65 58.72 3dhc h LYS 225 Cb 0.02 -0.22 0.02 0.00 0.08 0.00 0.00 32.23 32.14 3dhc h LYS 225 CO -0.05 0.78 -1.01 0.87 -0.57 0.00 0.00 179.45 179.47 3dhc h LYS 226 N 1.08 0.67 0.00 3.15 1.57 -1.03 -3.40 116.57 118.61 3dhc h LYS 226 Ca 0.28 -0.71 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 3dhc h LYS 226 Cb 0.01 0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3dhc h LYS 226 CO -0.05 1.29 -1.60 0.39 -0.57 0.00 0.00 179.45 178.92 3dhc n GLU 227 N -3.84 0.64 -3.87 3.15 -0.58 0.12 -5.03 120.64 111.22 3dhc n GLU 227 Ca -0.10 -0.13 -0.32 0.00 -0.42 0.00 0.00 57.16 56.19 3dhc n GLU 227 Cb 0.87 -1.35 0.01 0.00 -0.57 0.00 0.00 31.44 30.40 3dhc n GLU 227 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3dhc n LYS 228 N -1.96 -1.70 -1.97 3.49 5.02 0.11 -4.88 118.16 116.27 3dhc n LYS 228 Ca -0.02 0.35 -0.29 0.00 -2.02 0.00 0.00 58.31 56.33 3dhc n LYS 228 Cb 0.39 -3.94 0.06 0.00 -0.02 0.00 0.00 35.03 31.52 3dhc n LYS 228 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3dhc s PRO 229 N -6.50 2.59 0.29 1.97 0.04 -1.26 -4.88 135.00 127.25 3dhc s PRO 229 Ca 0.30 0.27 -0.25 0.00 0.04 0.00 0.00 61.00 61.37 3dhc s PRO 229 Cb -0.13 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 3dhc s PRO 229 CO 0.90 -1.16 0.88 0.96 0.04 0.00 0.00 177.00 178.62 3dhc s ILE 230 N -3.37 4.30 -0.05 0.56 -4.36 -0.75 -4.88 121.20 112.65 3dhc s ILE 230 Ca 0.59 1.70 0.04 0.00 -0.26 0.00 0.00 60.65 62.72 3dhc s ILE 230 Cb -0.11 -3.99 -0.00 0.00 1.25 0.00 0.00 42.46 39.61 3dhc s ILE 230 CO 0.50 0.18 -0.18 -0.63 0.24 0.00 0.00 174.94 175.06 3dhc s ILE 231 N -1.56 1.50 -0.04 8.37 1.01 -1.26 -1.06 121.20 128.15 3dhc s ILE 231 Ca 0.48 -0.73 0.04 0.00 0.00 0.00 0.00 60.65 60.43 3dhc s ILE 231 Cb -0.19 -1.30 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 3dhc s ILE 231 CO 0.23 0.43 -0.16 -0.36 0.00 0.00 0.00 174.94 175.08 3dhc s PHE 232 N 0.17 1.64 0.38 3.97 0.40 -0.13 -4.99 117.98 119.41 3dhc s PHE 232 Ca -0.08 -0.48 0.06 0.00 -0.60 0.00 0.00 56.93 55.84 3dhc s PHE 232 Cb -0.13 -1.11 -0.00 0.00 0.51 0.00 0.00 43.02 42.28 3dhc s PHE 232 CO 0.03 -0.17 0.53 -0.06 0.70 0.00 0.00 175.22 176.25 3dhc s PHE 233 N 0.10 3.04 0.11 0.36 0.08 -1.26 -1.37 117.98 119.04 3dhc s PHE 233 Ca -0.05 -0.20 -0.06 0.00 0.12 0.00 0.00 56.93 56.74 3dhc s PHE 233 Cb -0.12 -2.15 -0.16 0.00 -0.57 0.00 0.00 43.02 40.03 3dhc s PHE 233 CO 0.02 -0.18 1.24 0.78 -0.10 0.00 0.00 175.22 176.99 3dhc h GLY 234 N 0.75 0.45 -5.49 4.36 0.00 -0.78 -3.40 103.07 98.95 3dhc h GLY 234 Ca -0.44 -0.88 -0.38 0.00 0.00 0.00 0.00 47.33 45.62 3dhc h GLY 234 CO 0.51 0.78 -0.80 1.42 0.00 0.00 0.00 176.54 178.45 3dhc n HIS 235 N -3.70 -1.74 -4.00 5.60 8.25 0.33 -4.73 115.22 115.22 3dhc n HIS 235 Ca -0.08 -2.73 -0.33 0.00 -0.26 0.00 0.00 57.72 54.32 3dhc n HIS 235 Cb 0.90 0.62 -0.14 0.00 1.12 0.00 0.00 29.99 32.48 3dhc n HIS 235 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dhc s ASP 236 N -1.55 4.69 0.31 0.41 -1.08 -1.13 -4.55 116.67 113.76 3dhc s ASP 236 Ca 0.33 -1.63 0.05 0.00 -0.52 0.00 0.00 52.55 50.78 3dhc s ASP 236 Cb 0.23 -1.63 0.50 0.00 -1.46 0.00 0.00 42.92 40.56 3dhc s ASP 236 CO -0.15 -0.28 1.75 0.40 0.52 0.00 0.00 175.17 177.41 3dhc h ILE 237 N 6.63 1.27 -0.05 4.11 2.04 -1.93 0.08 117.51 129.66 3dhc h ILE 237 Ca -0.15 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.41 3dhc h ILE 237 Cb 1.04 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.56 3dhc h ILE 237 CO 0.51 0.39 -0.09 -0.33 0.00 0.00 0.00 178.15 178.64 3dhc h GLU 238 N 0.31 0.14 0.00 2.37 4.39 -2.00 -3.06 114.58 116.73 3dhc h GLU 238 Ca 0.04 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 3dhc h GLU 238 Cb 0.67 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 3dhc h GLU 238 CO 0.05 0.66 -0.37 0.37 -1.16 0.00 0.00 179.01 178.56 3dhc h GLN 239 N -0.36 0.00 -0.01 2.33 4.15 -1.93 -1.65 115.11 117.64 3dhc h GLN 239 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3dhc h GLN 239 Cb 0.65 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.34 3dhc h GLN 239 CO 0.02 0.37 0.01 1.49 -1.93 0.00 0.00 178.83 178.79 3dhc h GLU 240 N 0.00 0.00 -0.63 1.69 4.81 -0.88 -1.16 114.58 118.41 3dhc h GLU 240 Ca -0.00 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.36 3dhc h GLU 240 Cb 0.66 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 3dhc h GLU 240 CO 0.05 0.00 0.43 0.87 -0.73 0.00 0.00 179.01 179.63 3dhc h LYS 241 N 0.00 0.25 -0.01 1.92 1.57 -1.24 -3.00 116.57 116.07 3dhc h LYS 241 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3dhc h LYS 241 Cb 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3dhc h LYS 241 CO -0.00 0.17 -0.06 -1.13 -0.57 0.00 0.00 179.45 177.86 3dhc n SER 242 N -4.44 1.26 -4.73 0.86 3.41 -0.48 -5.01 113.62 104.48 3dhc n SER 242 Ca 0.11 -1.13 -0.42 0.00 -0.26 0.00 0.00 58.87 57.18 3dhc n SER 242 Cb 0.51 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.65 3dhc n SER 242 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dhc s ARG 244 N 0.36 4.39 0.15 0.00 0.52 -1.26 -5.02 118.95 118.08 3dhc s ARG 244 Ca 0.68 1.89 0.06 0.00 -0.52 0.00 0.00 55.73 57.85 3dhc s ARG 244 Cb -0.48 -3.30 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 3dhc s ARG 244 CO 0.39 -0.32 -0.14 0.14 0.02 0.00 0.00 175.30 175.39 3dhc s VAL 245 N 1.03 1.42 0.03 3.52 -7.23 -1.26 -4.46 120.40 113.45 3dhc s VAL 245 Ca 0.61 -1.89 -0.37 0.00 -1.81 0.00 0.00 61.98 58.53 3dhc s VAL 245 Cb -0.32 -1.71 -0.19 0.00 0.56 0.00 0.00 36.38 34.72 3dhc s VAL 245 CO 0.30 -0.50 0.95 0.33 -0.31 0.00 0.00 175.10 175.87 3dhc n PHE 246 N 0.22 0.46 1.58 2.82 -0.00 -0.11 -0.71 117.46 121.71 3dhc n PHE 246 Ca -0.13 1.00 0.14 0.00 -0.00 0.00 0.00 57.45 58.46 3dhc n PHE 246 Cb 0.58 -1.98 0.61 0.00 -0.00 0.00 0.00 39.48 38.70 3dhc n PHE 246 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3dhc n PRO 247 N 1.36 1.36 -1.46 -7.13 -0.04 -1.26 -5.03 135.00 122.81 3dhc n PRO 247 Ca 0.19 -0.65 -0.32 0.00 -0.04 0.00 0.00 63.50 62.68 3dhc n PRO 247 Cb 0.10 -1.49 0.07 0.00 -0.04 0.00 0.00 33.50 32.15 3dhc n PRO 247 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3dhc s GLU 248 N -2.08 2.45 0.16 0.54 2.02 0.11 -5.06 118.70 116.84 3dhc s GLU 248 Ca 0.38 1.28 -0.06 0.00 0.02 0.00 0.00 54.97 56.59 3dhc s GLU 248 Cb 0.21 -1.91 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 3dhc s GLU 248 CO 0.37 -1.51 0.22 1.52 0.02 0.00 0.00 175.26 175.89 3dhc s TYR 249 N -2.64 0.57 -0.06 1.61 1.13 -1.26 -4.37 117.35 112.33 3dhc s TYR 249 Ca 0.64 -0.93 0.00 0.00 -1.41 0.00 0.00 57.07 55.37 3dhc s TYR 249 Cb -0.19 -0.19 0.00 0.00 -1.10 0.00 0.00 41.96 40.48 3dhc s TYR 249 CO 0.50 -0.67 0.51 0.44 -2.51 0.00 0.00 175.55 173.82