#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hqi s SER 27 N 0.00 -0.47 -0.11 1.61 0.15 -1.26 -2.65 113.70 110.97 3hqi s SER 27 Ca 0.00 0.66 -0.01 0.00 0.70 0.00 0.00 55.95 57.30 3hqi s SER 27 Cb 0.00 0.59 0.03 0.00 -1.71 0.00 0.00 66.02 64.93 3hqi s SER 27 CO 0.00 -0.32 -0.03 -0.75 1.20 0.00 0.00 173.24 173.34 3hqi s LYS 28 N -0.63 1.01 -0.12 5.44 2.20 -0.68 -4.84 119.74 122.10 3hqi s LYS 28 Ca -0.02 -0.14 -0.01 0.00 -0.36 0.00 0.00 55.97 55.45 3hqi s LYS 28 Cb -0.02 -1.42 -0.02 0.00 -1.51 0.00 0.00 37.83 34.86 3hqi s LYS 28 CO 0.01 -0.35 -0.11 0.08 -0.36 0.00 0.00 175.35 174.62 3hqi s VAL 29 N 1.83 3.27 -0.23 4.02 1.01 -1.26 -1.66 120.40 127.39 3hqi s VAL 29 Ca 0.04 -0.59 -0.03 0.00 0.00 0.00 0.00 61.98 61.40 3hqi s VAL 29 Cb -0.13 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.87 3hqi s VAL 29 CO -0.07 0.53 -0.06 -0.69 0.00 0.00 0.00 175.10 174.81 3hqi s VAL 30 N 0.19 3.16 -0.11 2.92 1.01 -0.19 -4.95 120.40 122.44 3hqi s VAL 30 Ca -0.06 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3hqi s VAL 30 Cb -0.15 -2.47 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3hqi s VAL 30 CO 0.04 0.37 -0.03 -0.54 0.00 0.00 0.00 175.10 174.95 3hqi s LYS 31 N 1.43 3.18 0.04 2.72 1.02 -1.26 -1.40 119.74 125.47 3hqi s LYS 31 Ca 0.04 -0.48 -0.24 0.00 0.02 0.00 0.00 55.97 55.32 3hqi s LYS 31 Cb -0.15 -2.79 0.06 0.00 -0.52 0.00 0.00 37.83 34.43 3hqi s LYS 31 CO -0.04 0.53 0.55 -0.59 -0.92 0.00 0.00 175.35 174.87 3hqi s PHE 32 N -0.41 -0.47 0.18 3.18 -0.71 -0.95 -5.03 117.98 113.76 3hqi s PHE 32 Ca 0.07 0.56 -0.00 0.00 -1.04 0.00 0.00 56.93 56.52 3hqi s PHE 32 Cb -0.12 0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 42.02 3hqi s PHE 32 CO 0.02 -0.65 0.07 -1.54 -1.34 0.00 0.00 175.22 171.78 3hqi s SER 33 N -1.91 0.61 -0.05 1.98 1.04 -1.26 -1.14 113.70 112.96 3hqi s SER 33 Ca -0.06 -1.28 -0.03 0.00 0.48 0.00 0.00 55.95 55.06 3hqi s SER 33 Cb -0.01 0.26 0.02 0.00 0.10 0.00 0.00 66.02 66.39 3hqi s SER 33 CO -0.01 -0.72 0.12 -0.47 0.98 0.00 0.00 173.24 173.14 3hqi s TYR 34 N -3.95 -0.13 -0.16 5.02 5.04 -0.12 -4.98 117.35 118.07 3hqi s TYR 34 Ca 0.30 0.34 -0.05 0.00 -2.44 0.00 0.00 57.07 55.22 3hqi s TYR 34 Cb 0.07 0.00 -0.03 0.00 0.35 0.00 0.00 41.96 42.35 3hqi s TYR 34 CO 0.07 -0.09 -0.00 -1.64 -1.34 0.00 0.00 175.55 172.55 3hqi s MET 35 N 0.37 3.77 -0.18 4.97 -1.94 -1.26 -1.24 119.30 123.79 3hqi s MET 35 Ca -0.03 -0.46 -0.01 0.00 -1.71 0.00 0.00 55.69 53.48 3hqi s MET 35 Cb -0.04 -3.01 0.05 0.00 2.01 0.00 0.00 34.83 33.84 3hqi s MET 35 CO -0.01 0.25 -0.02 -0.46 -0.01 0.00 0.00 175.02 174.76 3hqi s TRP 36 N 0.37 1.58 -0.23 -0.03 -0.00 -0.18 -4.98 118.94 115.47 3hqi s TRP 36 Ca -0.02 -1.10 -0.10 0.00 -0.00 0.00 0.00 56.10 54.89 3hqi s TRP 36 Cb -0.14 -1.25 -0.05 0.00 -0.00 0.00 0.00 33.47 32.04 3hqi s TRP 36 CO 0.02 -0.63 0.13 0.99 -0.00 0.00 0.00 176.95 177.46 3hqi s THR 37 N 1.67 5.11 -0.41 5.86 2.01 -1.26 0.00 115.64 128.63 3hqi s THR 37 Ca -0.01 0.09 -0.07 0.00 0.31 0.00 0.00 61.69 62.02 3hqi s THR 37 Cb -0.16 -3.37 0.09 0.00 0.01 0.00 0.00 72.50 69.06 3hqi s THR 37 CO -0.07 0.36 0.23 -0.63 -0.69 0.00 0.00 174.62 173.82 3hqi s ILE 38 N 1.04 3.83 0.63 1.82 1.01 0.23 -4.92 121.20 124.85 3hqi s ILE 38 Ca 0.06 -1.63 -0.18 0.00 0.00 0.00 0.00 60.65 58.90 3hqi s ILE 38 Cb -0.14 -3.43 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 3hqi s ILE 38 CO 0.04 -0.55 1.25 0.20 0.00 0.00 0.00 174.94 175.88 3hqi s ASN 39 N 2.02 4.84 -1.34 3.58 0.01 -1.26 -1.23 114.94 121.56 3hqi s ASN 39 Ca 0.04 2.50 -0.19 0.00 -0.71 0.00 0.00 52.86 54.50 3hqi s ASN 39 Cb -0.23 -2.61 0.02 0.00 0.41 0.00 0.00 41.25 38.85 3hqi s ASN 39 CO -0.00 -1.84 0.43 0.59 -1.51 0.00 0.00 177.10 174.77 3hqi n ASN 40 N -1.81 -2.10 0.20 -1.22 3.02 0.80 -4.85 115.26 109.29 3hqi n ASN 40 Ca 0.15 -1.26 -0.14 0.00 -0.03 0.00 0.00 54.58 53.30 3hqi n ASN 40 Cb 0.49 -1.85 -0.08 0.00 -0.61 0.00 0.00 39.78 37.73 3hqi n ASN 40 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3hqi h PHE 41 N -2.24 -1.15 0.00 3.10 3.57 -0.72 -1.71 116.94 117.80 3hqi h PHE 41 Ca -0.69 0.01 0.00 0.00 3.53 0.00 0.00 57.97 60.83 3hqi h PHE 41 Cb 1.40 0.46 0.00 0.00 2.79 0.00 0.00 35.95 40.60 3hqi h PHE 41 CO 0.43 -0.52 0.00 -1.13 -2.23 0.00 0.00 178.31 174.86 3hqi n SER 42 N -4.86 0.00 -0.02 0.41 3.41 -1.26 -1.43 113.62 109.87 3hqi n SER 42 Ca -0.09 0.12 -0.02 0.00 -0.26 0.00 0.00 58.87 58.63 3hqi n SER 42 Cb 0.36 -0.15 -0.12 0.00 -0.26 0.00 0.00 64.21 64.03 3hqi n SER 42 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3hqi n PHE 43 N -1.15 0.56 -1.82 7.33 7.35 -0.66 -4.93 117.46 124.14 3hqi n PHE 43 Ca 0.01 0.19 -0.42 0.00 -0.76 0.00 0.00 57.45 56.47 3hqi n PHE 43 Cb 0.01 -0.98 -0.03 0.00 0.35 0.00 0.00 39.48 38.82 3hqi n PHE 43 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3hqi n ARG 45 N 4.38 0.08 -1.56 0.00 1.74 -1.26 -4.89 116.66 115.15 3hqi n ARG 45 Ca 0.15 0.22 -0.56 0.00 -0.77 0.00 0.00 57.85 56.90 3hqi n ARG 45 Cb 0.37 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.24 3hqi n ARG 45 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3hqi n GLU 46 N -1.42 0.62 -3.52 5.56 4.71 -1.26 -4.96 120.64 120.38 3hqi n GLU 46 Ca 0.05 0.22 -0.22 0.00 -0.01 0.00 0.00 57.16 57.20 3hqi n GLU 46 Cb 0.14 -1.80 -0.01 0.00 -1.01 0.00 0.00 31.44 28.76 3hqi n GLU 46 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3hqi s GLU 47 N 0.42 2.45 -0.29 3.49 0.41 -1.26 -4.69 118.70 119.23 3hqi s GLU 47 Ca 0.88 -1.65 -0.38 0.00 -0.41 0.00 0.00 54.97 53.42 3hqi s GLU 47 Cb -1.11 -2.38 -0.14 0.00 -1.78 0.00 0.00 34.13 28.72 3hqi s GLU 47 CO 0.53 -0.40 1.93 -0.12 -0.49 0.00 0.00 175.26 176.71 3hqi n MET 48 N -1.73 1.22 0.00 1.61 0.00 -1.26 -0.40 117.12 116.56 3hqi n MET 48 Ca 0.05 0.41 0.00 0.00 0.00 0.00 0.00 57.70 58.16 3hqi n MET 48 Cb 0.62 -2.27 0.00 0.00 0.00 0.00 0.00 33.22 31.57 3hqi n MET 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3hqi n GLY 49 N 5.18 2.52 3.75 -5.12 0.00 -1.01 -4.99 105.19 105.52 3hqi n GLY 49 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 3hqi n GLY 49 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hqi s GLU 50 N -0.35 4.67 -0.05 1.61 2.02 0.46 -4.98 118.70 122.08 3hqi s GLU 50 Ca 0.00 1.68 0.04 0.00 0.02 0.00 0.00 54.97 56.71 3hqi s GLU 50 Cb 0.00 -3.26 -0.00 0.00 0.10 0.00 0.00 34.13 30.97 3hqi s GLU 50 CO 0.00 0.21 -0.18 0.54 0.02 0.00 0.00 175.26 175.85 3hqi s VAL 51 N -0.69 1.52 -0.12 2.63 0.11 -1.26 -4.20 120.40 118.40 3hqi s VAL 51 Ca 0.46 -0.75 -0.02 0.00 -2.93 0.00 0.00 61.98 58.74 3hqi s VAL 51 Cb -0.29 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.22 3hqi s VAL 51 CO 0.36 0.44 -0.06 0.27 -3.33 0.00 0.00 175.10 172.78 3hqi s ILE 52 N 0.14 3.75 0.20 7.04 -4.36 -0.52 -4.96 121.20 122.49 3hqi s ILE 52 Ca -0.07 -0.43 0.07 0.00 -0.26 0.00 0.00 60.65 59.96 3hqi s ILE 52 Cb -0.13 -2.59 -0.04 0.00 1.25 0.00 0.00 42.46 40.95 3hqi s ILE 52 CO 0.03 0.54 0.05 -1.59 0.24 0.00 0.00 174.94 174.22 3hqi s LYS 53 N -0.14 2.56 0.47 0.37 0.00 -1.26 -1.29 119.74 120.46 3hqi s LYS 53 Ca 0.02 -1.10 0.00 0.00 0.00 0.00 0.00 55.97 54.89 3hqi s LYS 53 Cb -0.13 -2.41 0.09 0.00 0.00 0.00 0.00 37.83 35.38 3hqi s LYS 53 CO 0.03 0.44 0.65 -1.13 0.00 0.00 0.00 175.35 175.33 3hqi n SER 54 N -0.44 0.90 -4.81 0.03 3.41 -0.29 -4.98 113.62 107.42 3hqi n SER 54 Ca -0.09 -1.75 -0.30 0.00 -0.26 0.00 0.00 58.87 56.47 3hqi n SER 54 Cb 0.56 -0.42 0.08 0.00 -0.26 0.00 0.00 64.21 64.17 3hqi n SER 54 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3hqi s SER 55 N -3.65 4.83 0.40 4.04 0.01 -1.26 -4.67 113.70 113.40 3hqi s SER 55 Ca 0.43 1.39 -0.14 0.00 1.31 0.00 0.00 55.95 58.94 3hqi s SER 55 Cb -0.02 -2.18 -0.08 0.00 0.21 0.00 0.00 66.02 63.95 3hqi s SER 55 CO 0.29 -1.77 0.82 0.42 0.41 0.00 0.00 173.24 173.41 3hqi s THR 56 N -3.13 4.65 0.10 1.44 -4.23 -1.26 -4.54 115.64 108.67 3hqi s THR 56 Ca 0.60 0.95 -0.04 0.00 -1.18 0.00 0.00 61.69 62.01 3hqi s THR 56 Cb -0.14 -3.67 -0.02 0.00 1.34 0.00 0.00 72.50 70.00 3hqi s THR 56 CO 0.54 -0.42 0.10 0.72 -0.54 0.00 0.00 174.62 175.02 3hqi s PHE 57 N -2.28 0.48 0.24 3.99 -0.71 0.83 -4.93 117.98 115.59 3hqi s PHE 57 Ca 0.55 -0.93 0.03 0.00 -1.04 0.00 0.00 56.93 55.55 3hqi s PHE 57 Cb -0.10 -0.27 -0.01 0.00 -1.21 0.00 0.00 43.02 41.43 3hqi s PHE 57 CO 0.25 -0.51 0.12 0.45 -1.34 0.00 0.00 175.22 174.19 3hqi n SER 58 N -0.03 0.57 -0.07 1.98 2.88 -1.26 -0.91 113.62 116.77 3hqi n SER 58 Ca -0.11 -2.35 -0.06 0.00 -1.33 0.00 0.00 58.87 55.02 3hqi n SER 58 Cb 0.62 0.78 -0.02 0.00 -0.75 0.00 0.00 64.21 64.84 3hqi n SER 58 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3hqi n SER 59 N -1.89 1.63 -2.24 -3.46 3.41 -1.26 -4.90 113.62 104.91 3hqi n SER 59 Ca -0.01 0.43 -0.09 0.00 -0.26 0.00 0.00 58.87 58.94 3hqi n SER 59 Cb 0.38 -0.76 -0.03 0.00 -0.26 0.00 0.00 64.21 63.54 3hqi n SER 59 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hqi n ASN 62 N -4.25 0.59 -4.74 4.04 5.15 -1.26 -5.08 115.26 109.70 3hqi n ASN 62 Ca -0.09 -1.87 -0.41 0.00 -0.60 0.00 0.00 54.58 51.61 3hqi n ASN 62 Cb 0.35 0.50 -0.04 0.00 -0.53 0.00 0.00 39.78 40.06 3hqi n ASN 62 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hqi s ASP 63 N -1.98 7.23 0.00 1.20 2.15 -1.26 -4.93 116.67 119.08 3hqi s ASP 63 Ca 0.11 2.17 0.21 0.00 0.43 0.00 0.00 52.55 55.48 3hqi s ASP 63 Cb 0.01 -2.61 0.52 0.00 -0.30 0.00 0.00 42.92 40.54 3hqi s ASP 63 CO 0.08 -0.23 1.45 2.29 -0.17 0.00 0.00 175.17 178.59 3hqi n LYS 64 N 2.05 2.34 -3.78 4.34 2.85 -1.26 -4.93 118.16 119.78 3hqi n LYS 64 Ca 0.02 -2.05 -0.36 0.00 -1.05 0.00 0.00 58.31 54.87 3hqi n LYS 64 Cb 0.45 -1.48 -0.06 0.00 -0.65 0.00 0.00 35.03 33.30 3hqi n LYS 64 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3hqi s LEU 65 N -1.35 4.39 -0.11 -5.58 1.43 -1.26 -4.44 118.68 111.75 3hqi s LEU 65 Ca 0.38 0.57 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 3hqi s LEU 65 Cb 0.21 -2.42 0.01 0.00 0.03 0.00 0.00 46.19 44.02 3hqi s LEU 65 CO 0.30 0.33 -0.19 -0.54 0.23 0.00 0.00 176.35 176.47 3hqi s LYS 66 N -1.39 2.65 0.34 1.70 -0.14 -0.69 -4.57 119.74 117.65 3hqi s LYS 66 Ca 0.22 -0.73 0.07 0.00 -1.36 0.00 0.00 55.97 54.18 3hqi s LYS 66 Cb -0.13 -2.14 -0.07 0.00 -1.68 0.00 0.00 37.83 33.81 3hqi s LYS 66 CO 0.11 0.02 -0.04 -1.58 -0.76 0.00 0.00 175.35 173.10 3hqi s TRP 67 N 0.75 2.25 0.18 3.18 0.52 -0.09 -0.49 118.94 125.23 3hqi s TRP 67 Ca -0.10 -0.66 -0.18 0.00 0.02 0.00 0.00 56.10 55.17 3hqi s TRP 67 Cb -0.16 -1.39 0.04 0.00 -1.15 0.00 0.00 33.47 30.80 3hqi s TRP 67 CO 0.01 0.39 0.51 0.00 0.02 0.00 0.00 176.95 177.88 3hqi s LEU 69 N -2.84 3.91 -0.07 0.00 1.43 -1.26 -1.30 118.68 118.55 3hqi s LEU 69 Ca 0.06 0.03 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 3hqi s LEU 69 Cb -0.00 -2.56 0.01 0.00 0.03 0.00 0.00 46.19 43.66 3hqi s LEU 69 CO -0.06 0.16 -0.13 -0.13 0.23 0.00 0.00 176.35 176.42 3hqi s ARG 70 N -2.50 1.79 -0.02 1.70 0.52 -0.09 -1.14 118.95 119.21 3hqi s ARG 70 Ca 0.30 -0.44 0.02 0.00 -0.52 0.00 0.00 55.73 55.10 3hqi s ARG 70 Cb -0.12 -1.50 0.01 0.00 0.52 0.00 0.00 34.95 33.86 3hqi s ARG 70 CO 0.23 0.01 -0.06 0.54 0.02 0.00 0.00 175.30 176.04 3hqi s VAL 71 N 0.74 0.56 -0.59 3.52 0.11 -0.41 -0.28 120.40 124.05 3hqi s VAL 71 Ca -0.13 -0.23 -0.05 0.00 -2.93 0.00 0.00 61.98 58.64 3hqi s VAL 71 Cb -0.16 -0.52 0.15 0.00 -1.53 0.00 0.00 36.38 34.33 3hqi s VAL 71 CO 0.03 0.19 0.42 0.20 -3.33 0.00 0.00 175.10 172.61 3hqi s ASN 72 N 0.27 5.46 0.42 3.54 0.01 0.12 -1.44 114.94 123.31 3hqi s ASN 72 Ca -0.03 -2.58 0.27 0.00 -0.71 0.00 0.00 52.86 49.80 3hqi s ASN 72 Cb -0.08 -1.91 1.36 0.00 0.41 0.00 0.00 41.25 41.03 3hqi s ASN 72 CO -0.00 -0.46 1.64 -0.65 -1.51 0.00 0.00 177.10 176.12 3hqi h PRO 73 N 7.46 0.13 -0.73 -0.60 0.11 -1.86 0.52 132.00 137.03 3hqi h PRO 73 Ca -0.05 -0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.53 3hqi h PRO 73 Cb 0.99 -0.03 -0.39 0.00 0.11 0.00 0.00 31.00 31.68 3hqi h PRO 73 CO 0.73 0.09 -0.66 1.63 -0.21 0.00 0.00 178.00 179.58 3hqi n LYS 74 N -4.75 3.41 0.00 1.05 4.76 -1.26 -4.43 118.16 116.95 3hqi n LYS 74 Ca 0.35 -4.04 0.00 0.00 -2.87 0.00 0.00 58.31 51.75 3hqi n LYS 74 Cb 1.32 -2.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.27 3hqi n LYS 74 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hqi n GLY 75 N -0.75 0.92 1.15 0.72 0.00 0.13 -4.00 105.19 103.36 3hqi n GLY 75 Ca 0.44 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3hqi n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hqi n LEU 76 N 0.00 0.00 -0.02 0.99 4.32 -1.26 -2.41 117.00 118.61 3hqi n LEU 76 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.86 3hqi n LEU 76 Cb 0.00 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 3hqi n LEU 76 CO 0.00 -0.36 0.64 0.44 -1.22 0.00 0.00 177.39 176.89 3hqi h ASP 77 N 0.00 0.08 -3.73 -1.43 3.45 -1.97 -3.42 116.42 109.41 3hqi h ASP 77 Ca 0.00 -0.46 -0.38 0.00 0.43 0.00 0.00 57.03 56.62 3hqi h ASP 77 Cb 0.00 -0.02 -0.14 0.00 -0.56 0.00 0.00 39.33 38.61 3hqi h ASP 77 CO 0.00 0.52 -0.68 -0.44 -1.57 0.00 0.00 179.24 177.07 3hqi s SER 80 N -5.75 1.99 0.38 6.45 0.01 -1.26 -5.01 113.70 110.52 3hqi s SER 80 Ca -0.15 -1.14 0.21 0.00 1.31 0.00 0.00 55.95 56.17 3hqi s SER 80 Cb 0.03 -0.03 1.26 0.00 0.21 0.00 0.00 66.02 67.48 3hqi s SER 80 CO 0.69 -0.41 1.64 0.07 0.41 0.00 0.00 173.24 175.63 3hqi h LYS 81 N 2.54 0.18 -0.28 12.44 -0.00 -1.86 -1.57 116.57 128.01 3hqi h LYS 81 Ca -0.38 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.26 3hqi h LYS 81 Cb 1.22 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.40 3hqi h LYS 81 CO 0.64 0.12 0.00 -0.25 -0.00 0.00 0.00 179.45 179.96 3hqi n ASP 82 N -4.95 1.73 -4.44 7.07 8.00 -1.26 -4.45 116.55 118.25 3hqi n ASP 82 Ca 0.34 -1.89 -0.22 0.00 0.71 0.00 0.00 54.79 53.73 3hqi n ASP 82 Cb 1.19 -0.18 -0.10 0.00 -0.02 0.00 0.00 41.12 42.00 3hqi n ASP 82 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3hqi s TYR 83 N -1.63 2.04 -0.08 1.24 2.02 -0.59 -1.31 117.35 119.04 3hqi s TYR 83 Ca 0.26 -0.58 -0.12 0.00 -0.37 0.00 0.00 57.07 56.26 3hqi s TYR 83 Cb 0.14 -1.08 -0.05 0.00 -0.40 0.00 0.00 41.96 40.57 3hqi s TYR 83 CO 0.19 0.42 0.29 -0.51 -1.57 0.00 0.00 175.55 174.37 3hqi s LEU 84 N -3.46 4.39 -0.23 -1.29 1.02 -0.14 -1.22 118.68 117.76 3hqi s LEU 84 Ca 0.29 0.69 -0.05 0.00 0.02 0.00 0.00 54.13 55.07 3hqi s LEU 84 Cb 0.01 -2.36 -0.02 0.00 0.02 0.00 0.00 46.19 43.84 3hqi s LEU 84 CO 0.12 0.30 -0.00 -0.44 0.02 0.00 0.00 176.35 176.35 3hqi s SER 85 N -0.69 4.62 -0.10 2.29 0.01 -0.90 -1.03 113.70 117.89 3hqi s SER 85 Ca 0.19 -0.31 0.04 0.00 1.31 0.00 0.00 55.95 57.17 3hqi s SER 85 Cb -0.14 -1.81 -0.00 0.00 0.21 0.00 0.00 66.02 64.28 3hqi s SER 85 CO 0.08 -0.02 -0.23 -0.22 0.41 0.00 0.00 173.24 173.26 3hqi s LEU 86 N 1.48 2.15 0.03 2.44 2.96 -0.95 0.13 118.68 126.92 3hqi s LEU 86 Ca 0.06 -0.54 0.01 0.00 -0.22 0.00 0.00 54.13 53.44 3hqi s LEU 86 Cb -0.15 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.10 3hqi s LEU 86 CO -0.01 0.16 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.83 3hqi s TYR 87 N 0.33 0.45 -0.16 5.38 2.02 0.61 -0.73 117.35 125.25 3hqi s TYR 87 Ca -0.18 -0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 55.93 3hqi s TYR 87 Cb -0.18 -0.28 -0.05 0.00 -0.40 0.00 0.00 41.96 41.05 3hqi s TYR 87 CO 0.09 -0.12 0.21 -1.17 -1.57 0.00 0.00 175.55 172.98 3hqi s LEU 88 N -1.39 4.27 -0.10 -1.29 2.96 0.84 -0.91 118.68 123.05 3hqi s LEU 88 Ca -0.12 0.42 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 3hqi s LEU 88 Cb -0.09 -2.23 0.02 0.00 0.50 0.00 0.00 46.19 44.39 3hqi s LEU 88 CO -0.00 0.19 -0.11 -0.22 -1.32 0.00 0.00 176.35 174.88 3hqi s LEU 89 N 0.11 1.51 -0.48 -0.68 2.96 -0.42 -1.44 118.68 120.24 3hqi s LEU 89 Ca 0.13 -0.35 -0.28 0.00 -0.22 0.00 0.00 54.13 53.42 3hqi s LEU 89 Cb -0.12 -0.93 0.03 0.00 0.50 0.00 0.00 46.19 45.67 3hqi s LEU 89 CO 0.02 -0.03 1.06 -0.22 -1.32 0.00 0.00 176.35 175.85 3hqi s LEU 90 N 1.19 3.78 -0.09 -0.68 2.96 -0.80 -1.53 118.68 123.50 3hqi s LEU 90 Ca -0.04 0.30 -0.22 0.00 -0.22 0.00 0.00 54.13 53.95 3hqi s LEU 90 Cb -0.14 -3.38 -0.29 0.00 0.50 0.00 0.00 46.19 42.88 3hqi s LEU 90 CO -0.03 -1.19 0.76 0.58 -1.32 0.00 0.00 176.35 175.14 3hqi h VAL 91 N 6.17 1.44 -3.95 1.68 2.07 -1.11 -0.39 116.25 122.16 3hqi h VAL 91 Ca -0.24 -2.45 -0.24 0.00 0.82 0.00 0.00 66.70 64.60 3hqi h VAL 91 Cb 1.07 3.08 -0.22 0.00 -1.52 0.00 0.00 31.29 33.70 3hqi h VAL 91 CO 1.09 0.67 -0.72 -0.55 0.02 0.00 0.00 177.57 178.08 3hqi s SER 92 N -6.82 0.56 -0.18 0.57 0.15 -0.96 -4.28 113.70 102.73 3hqi s SER 92 Ca -0.17 -0.44 -0.29 0.00 0.70 0.00 0.00 55.95 55.74 3hqi s SER 92 Cb 0.01 0.04 0.13 0.00 -1.71 0.00 0.00 66.02 64.49 3hqi s SER 92 CO 0.77 -0.19 1.01 0.00 1.20 0.00 0.00 173.24 176.03 3hqi n PRO 94 N 0.90 1.67 -2.59 0.00 -0.04 -1.26 -4.90 135.00 128.77 3hqi n PRO 94 Ca -0.10 -1.22 -0.05 0.00 -0.04 0.00 0.00 63.50 62.08 3hqi n PRO 94 Cb 0.58 -2.32 0.01 0.00 -0.04 0.00 0.00 33.50 31.73 3hqi n PRO 94 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3hqi n LYS 95 N 4.19 -1.76 -4.36 0.54 0.00 -1.26 -5.19 118.16 110.32 3hqi n LYS 95 Ca 0.36 1.71 -0.25 0.00 -0.00 0.00 0.00 58.31 60.13 3hqi n LYS 95 Cb 0.14 -4.82 -0.13 0.00 -0.00 0.00 0.00 35.03 30.22 3hqi n LYS 95 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 3hqi s GLU 97 N -2.38 1.21 -0.00 -1.58 -1.05 -1.26 -5.10 118.70 108.54 3hqi s GLU 97 Ca 0.17 -1.16 0.04 0.00 -0.15 0.00 0.00 54.97 53.87 3hqi s GLU 97 Cb -0.05 -1.49 -0.01 0.00 -0.44 0.00 0.00 34.13 32.14 3hqi s GLU 97 CO 0.61 0.35 -0.14 0.08 0.95 0.00 0.00 175.26 177.11 3hqi s VAL 98 N -1.09 1.07 -0.28 1.83 1.01 0.38 -4.95 120.40 118.37 3hqi s VAL 98 Ca 0.08 -0.62 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 3hqi s VAL 98 Cb -0.10 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 3hqi s VAL 98 CO 0.04 0.27 0.13 -0.13 0.00 0.00 0.00 175.10 175.41 3hqi s ARG 99 N -0.41 3.68 -0.09 2.72 0.52 -1.26 0.34 118.95 124.46 3hqi s ARG 99 Ca 0.05 -0.48 -0.08 0.00 -0.52 0.00 0.00 55.73 54.70 3hqi s ARG 99 Cb -0.05 -3.50 0.02 0.00 0.52 0.00 0.00 34.95 31.93 3hqi s ARG 99 CO -0.00 -0.24 0.23 0.00 0.02 0.00 0.00 175.30 175.31 3hqi s ALA 100 N 1.67 -0.58 0.10 2.13 0.00 -0.00 -0.61 121.76 124.47 3hqi s ALA 100 Ca 0.06 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.68 3hqi s ALA 100 Cb -0.16 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3hqi s ALA 100 CO 0.07 -0.11 0.23 0.15 0.00 0.00 0.00 175.76 176.09 3hqi s LYS 101 N 0.09 3.39 0.10 0.00 1.02 -0.35 0.15 119.74 124.14 3hqi s LYS 101 Ca -0.00 -0.52 -0.09 0.00 0.02 0.00 0.00 55.97 55.37 3hqi s LYS 101 Cb -0.02 -2.98 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 3hqi s LYS 101 CO 0.00 0.57 0.21 -0.59 -0.92 0.00 0.00 175.35 174.63 3hqi s PHE 102 N -1.59 0.14 -0.07 3.18 -0.71 -1.26 -0.35 117.98 117.32 3hqi s PHE 102 Ca 0.34 -0.56 -0.04 0.00 -1.04 0.00 0.00 56.93 55.64 3hqi s PHE 102 Cb -0.12 -0.03 0.03 0.00 -1.21 0.00 0.00 43.02 41.69 3hqi s PHE 102 CO 0.28 -0.57 0.16 0.21 -1.34 0.00 0.00 175.22 173.96 3hqi s LYS 103 N -3.86 0.13 0.02 1.99 2.20 0.31 -1.52 119.74 119.00 3hqi s LYS 103 Ca 0.06 0.36 0.06 0.00 -0.36 0.00 0.00 55.97 56.09 3hqi s LYS 103 Cb 0.05 -0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.22 3hqi s LYS 103 CO -0.10 -0.13 -0.17 -0.06 -0.36 0.00 0.00 175.35 174.52 3hqi s PHE 104 N 0.96 2.58 0.30 4.03 0.08 0.18 -0.48 117.98 125.64 3hqi s PHE 104 Ca -0.07 -0.24 -0.14 0.00 0.12 0.00 0.00 56.93 56.59 3hqi s PHE 104 Cb -0.09 -1.50 0.02 0.00 -0.57 0.00 0.00 43.02 40.88 3hqi s PHE 104 CO -0.05 0.23 0.62 -1.54 -0.10 0.00 0.00 175.22 174.38 3hqi s SER 105 N -1.26 0.03 -0.04 1.36 1.04 -0.13 -0.67 113.70 114.03 3hqi s SER 105 Ca 0.14 -0.97 0.07 0.00 0.48 0.00 0.00 55.95 55.67 3hqi s SER 105 Cb -0.10 0.70 -0.02 0.00 0.10 0.00 0.00 66.02 66.70 3hqi s SER 105 CO 0.04 -1.35 -0.25 -0.63 0.98 0.00 0.00 173.24 172.02 3hqi s ILE 106 N -3.46 2.06 -0.13 -1.02 1.01 -0.48 -0.26 121.20 118.93 3hqi s ILE 106 Ca 0.19 -1.09 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 3hqi s ILE 106 Cb -0.03 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 3hqi s ILE 106 CO 0.11 0.58 0.23 -0.76 0.00 0.00 0.00 174.94 175.09 3hqi s LEU 107 N -0.43 4.33 0.00 2.97 1.43 -0.67 -1.06 118.68 125.25 3hqi s LEU 107 Ca 0.04 0.52 -0.01 0.00 -1.03 0.00 0.00 54.13 53.65 3hqi s LEU 107 Cb -0.12 -2.25 0.06 0.00 0.03 0.00 0.00 46.19 43.92 3hqi s LEU 107 CO 0.01 0.26 0.39 -0.46 0.23 0.00 0.00 176.35 176.78 3hqi n ASN 108 N 2.71 0.38 -0.25 2.29 0.23 -0.68 -4.63 115.26 115.32 3hqi n ASN 108 Ca -0.16 -1.36 0.07 0.00 -0.53 0.00 0.00 54.58 52.61 3hqi n ASN 108 Cb 0.53 -0.26 0.33 0.00 -2.08 0.00 0.00 39.78 38.29 3hqi n ASN 108 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hqi h ALA 109 N -0.83 1.68 -0.00 -2.53 0.00 -1.91 -0.33 119.26 115.33 3hqi h ALA 109 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hqi h ALA 109 Cb 0.44 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hqi h ALA 109 CO 0.12 0.15 -0.01 1.63 0.00 0.00 0.00 179.25 181.15 3hqi n LYS 110 N -4.51 0.90 -0.77 0.00 5.02 -1.26 -4.89 118.16 112.65 3hqi n LYS 110 Ca 0.14 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3hqi n LYS 110 Cb 0.29 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3hqi n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hqi n GLY 111 N 1.10 0.57 3.89 0.72 0.00 -0.13 -5.05 105.19 106.29 3hqi n GLY 111 Ca 0.21 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3hqi n GLY 111 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hqi s GLU 112 N -0.82 3.64 0.20 1.61 2.02 -1.26 -4.76 118.70 119.33 3hqi s GLU 112 Ca 0.00 0.32 -0.21 0.00 0.02 0.00 0.00 54.97 55.10 3hqi s GLU 112 Cb 0.00 -2.38 -0.08 0.00 0.10 0.00 0.00 34.13 31.77 3hqi s GLU 112 CO 0.00 -0.14 0.72 -1.21 0.02 0.00 0.00 175.26 174.65 3hqi s GLU 113 N -4.37 4.30 -0.02 1.61 2.02 -1.26 -1.69 118.70 119.29 3hqi s GLU 113 Ca 0.49 0.91 -0.21 0.00 0.02 0.00 0.00 54.97 56.19 3hqi s GLU 113 Cb -0.10 -2.97 0.04 0.00 0.10 0.00 0.00 34.13 31.20 3hqi s GLU 113 CO 0.40 0.44 0.45 -0.08 0.02 0.00 0.00 175.26 176.48 3hqi s THR 114 N -1.43 0.04 -1.36 3.63 -1.32 -0.22 -4.94 115.64 110.03 3hqi s THR 114 Ca 0.41 -0.31 -0.07 0.00 -1.21 0.00 0.00 61.69 60.51 3hqi s THR 114 Cb -0.18 -0.78 0.03 0.00 -1.51 0.00 0.00 72.50 70.06 3hqi s THR 114 CO 0.22 -0.17 1.04 0.29 -2.21 0.00 0.00 174.62 173.79 3hqi n LYS 115 N 1.07 -6.74 -2.48 7.08 4.76 -1.26 -1.38 118.16 119.21 3hqi n LYS 115 Ca -0.20 0.75 -0.34 0.00 -2.87 0.00 0.00 58.31 55.64 3hqi n LYS 115 Cb 0.57 -5.70 -0.03 0.00 -1.84 0.00 0.00 35.03 28.03 3hqi n LYS 115 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hqi s ALA 116 N -3.37 2.85 -0.15 7.82 0.00 -1.26 -4.53 121.76 123.12 3hqi s ALA 116 Ca 0.42 0.67 -0.06 0.00 0.00 0.00 0.00 51.96 52.98 3hqi s ALA 116 Cb -0.19 -3.28 0.06 0.00 0.00 0.00 0.00 23.12 19.71 3hqi s ALA 116 CO 0.77 -0.41 0.33 1.41 0.00 0.00 0.00 175.76 177.85 3hqi s MET 117 N -3.19 0.26 0.11 0.00 1.75 0.15 -4.99 119.30 113.39 3hqi s MET 117 Ca 0.68 0.77 0.05 0.00 -1.25 0.00 0.00 55.69 55.94 3hqi s MET 117 Cb -0.19 0.03 -0.04 0.00 2.84 0.00 0.00 34.83 37.48 3hqi s MET 117 CO 0.22 -0.22 -0.12 -1.83 -0.65 0.00 0.00 175.02 172.42 3hqi s GLU 118 N 1.93 0.94 0.23 4.11 -1.05 -1.26 -0.65 118.70 122.96 3hqi s GLU 118 Ca -0.05 -1.19 -0.30 0.00 -0.15 0.00 0.00 54.97 53.28 3hqi s GLU 118 Cb -0.11 -0.75 -0.09 0.00 -0.44 0.00 0.00 34.13 32.74 3hqi s GLU 118 CO -0.10 0.14 1.23 -1.54 0.95 0.00 0.00 175.26 175.93 3hqi s SER 119 N -2.42 7.02 0.38 0.83 1.04 -0.58 -4.92 113.70 115.05 3hqi s SER 119 Ca 0.07 2.36 0.08 0.00 0.48 0.00 0.00 55.95 58.94 3hqi s SER 119 Cb -0.04 -2.62 0.75 0.00 0.10 0.00 0.00 66.02 64.21 3hqi s SER 119 CO 0.02 -0.40 1.91 1.56 0.98 0.00 0.00 173.24 177.31 3hqi h GLN 120 N 4.72 0.31 0.00 4.02 1.08 -2.00 -3.44 115.11 119.80 3hqi h GLN 120 Ca -0.46 -0.07 -0.34 0.00 -1.45 0.00 0.00 58.65 56.34 3hqi h GLN 120 Cb 1.22 -0.05 -0.09 0.00 -0.05 0.00 0.00 27.48 28.51 3hqi h GLN 120 CO 0.72 0.41 -0.33 2.89 -0.95 0.00 0.00 178.83 181.58 3hqi n ARG 121 N -4.29 0.29 -3.04 1.46 1.85 -1.26 -5.14 116.66 106.54 3hqi n ARG 121 Ca -0.00 -2.33 -0.39 0.00 -1.00 0.00 0.00 57.85 54.12 3hqi n ARG 121 Cb 0.25 1.90 -0.06 0.00 -1.05 0.00 0.00 32.46 33.51 3hqi n ARG 121 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hqi s ALA 122 N -2.94 3.44 0.12 2.89 0.00 -1.26 -4.52 121.76 119.49 3hqi s ALA 122 Ca 0.28 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.55 3hqi s ALA 122 Cb 0.01 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3hqi s ALA 122 CO 0.20 0.22 0.07 0.71 0.00 0.00 0.00 175.76 176.95 3hqi s TYR 123 N -0.69 3.09 -0.07 0.00 2.02 0.12 -4.72 117.35 117.11 3hqi s TYR 123 Ca 0.35 -0.00 -0.26 0.00 -0.37 0.00 0.00 57.07 56.79 3hqi s TYR 123 Cb -0.21 -1.54 -0.03 0.00 -0.40 0.00 0.00 41.96 39.78 3hqi s TYR 123 CO 0.23 0.51 0.83 0.50 -1.57 0.00 0.00 175.55 176.05 3hqi s ARG 124 N -2.65 4.44 0.05 -0.62 3.52 -1.26 -0.82 118.95 121.61 3hqi s ARG 124 Ca 0.29 1.10 0.09 0.00 -0.13 0.00 0.00 55.73 57.07 3hqi s ARG 124 Cb -0.11 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.77 3hqi s ARG 124 CO 0.21 -0.07 -0.25 -0.06 -0.81 0.00 0.00 175.30 174.32 3hqi s PHE 125 N 1.21 2.21 0.14 5.12 0.08 0.15 -4.96 117.98 121.94 3hqi s PHE 125 Ca 0.43 -0.40 0.01 0.00 0.12 0.00 0.00 56.93 57.08 3hqi s PHE 125 Cb -0.18 -1.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 3hqi s PHE 125 CO 0.20 0.13 0.01 0.14 -0.10 0.00 0.00 175.22 175.60 3hqi s VAL 126 N -0.82 0.45 -0.13 -0.44 -7.23 -1.26 -0.47 120.40 110.50 3hqi s VAL 126 Ca 0.11 -1.94 -0.38 0.00 -1.81 0.00 0.00 61.98 57.96 3hqi s VAL 126 Cb -0.10 -2.01 -0.16 0.00 0.56 0.00 0.00 36.38 34.68 3hqi s VAL 126 CO 0.02 -0.55 1.62 1.67 -0.31 0.00 0.00 175.10 177.56 3hqi n GLN 127 N -0.15 1.28 0.00 4.82 7.27 -1.26 -0.79 117.38 128.55 3hqi n GLN 127 Ca -0.07 0.47 0.00 0.00 0.07 0.00 0.00 57.00 57.47 3hqi n GLN 127 Cb 0.63 -2.16 0.00 0.00 2.41 0.00 0.00 30.24 31.12 3hqi n GLN 127 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3hqi n GLY 128 N 3.66 1.54 3.84 1.69 0.00 -0.16 -5.04 105.19 110.71 3hqi n GLY 128 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.93 3hqi n GLY 128 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hqi s LYS 129 N -0.52 4.05 0.17 1.61 2.47 0.03 -4.87 119.74 122.68 3hqi s LYS 129 Ca 0.00 0.83 0.01 0.00 -1.56 0.00 0.00 55.97 55.25 3hqi s LYS 129 Cb 0.00 -2.31 -0.04 0.00 -1.46 0.00 0.00 37.83 34.01 3hqi s LYS 129 CO 0.00 0.03 0.03 0.16 0.16 0.00 0.00 175.35 175.73 3hqi s ASP 130 N -2.41 0.92 -0.12 1.43 1.47 -1.26 -1.90 116.67 114.80 3hqi s ASP 130 Ca 0.57 -1.22 -0.16 0.00 1.18 0.00 0.00 52.55 52.92 3hqi s ASP 130 Cb -0.10 0.18 0.04 0.00 -0.34 0.00 0.00 42.92 42.71 3hqi s ASP 130 CO 0.19 -0.64 0.43 0.26 0.68 0.00 0.00 175.17 176.08 3hqi s TRP 131 N -3.80 -0.42 0.00 2.11 0.52 -0.52 -4.96 118.94 111.87 3hqi s TRP 131 Ca 0.26 0.96 0.00 0.00 0.02 0.00 0.00 56.10 57.34 3hqi s TRP 131 Cb 0.07 0.17 0.00 0.00 -1.15 0.00 0.00 33.47 32.56 3hqi s TRP 131 CO 0.05 -0.30 0.00 0.41 0.02 0.00 0.00 176.95 177.13 3hqi n GLY 132 N 2.30 1.13 2.78 0.98 0.00 -1.26 -0.11 105.19 111.01 3hqi n GLY 132 Ca -0.16 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 3hqi n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hqi s PHE 133 N 0.56 0.69 0.23 1.61 0.08 0.09 -4.99 117.98 116.24 3hqi s PHE 133 Ca 0.00 -0.18 -0.06 0.00 0.12 0.00 0.00 56.93 56.81 3hqi s PHE 133 Cb 0.00 -0.81 0.22 0.00 -0.57 0.00 0.00 43.02 41.86 3hqi s PHE 133 CO 0.00 -0.33 1.76 -0.22 -0.10 0.00 0.00 175.22 176.33 3hqi h LYS 134 N 8.30 1.05 -2.33 0.44 3.64 -1.87 -2.53 116.57 123.26 3hqi h LYS 134 Ca -0.20 -0.23 -0.64 0.00 -1.27 0.00 0.00 60.65 58.31 3hqi h LYS 134 Cb 1.13 -0.15 -0.39 0.00 -0.41 0.00 0.00 32.23 32.40 3hqi h LYS 134 CO 0.27 0.91 -0.34 1.63 -2.27 0.00 0.00 179.45 179.66 3hqi n LYS 135 N -4.25 2.90 -0.04 1.90 5.02 -1.26 -3.90 118.16 118.53 3hqi n LYS 135 Ca 0.05 -4.66 -0.11 0.00 -2.02 0.00 0.00 58.31 51.57 3hqi n LYS 135 Cb 0.24 -2.31 -0.05 0.00 -0.02 0.00 0.00 35.03 32.89 3hqi n LYS 135 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 3hqi h PHE 136 N 4.41 0.26 -1.90 2.13 3.57 -1.15 -3.47 116.94 120.79 3hqi h PHE 136 Ca 0.20 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3hqi h PHE 136 Cb 0.65 -0.08 -0.21 0.00 2.79 0.00 0.00 35.95 39.11 3hqi h PHE 136 CO 0.78 0.36 0.25 -1.50 -2.23 0.00 0.00 178.31 175.96 3hqi s ILE 137 N -5.41 0.00 0.24 1.41 2.07 -1.25 -4.98 121.20 113.29 3hqi s ILE 137 Ca -0.14 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 58.81 3hqi s ILE 137 Cb 0.07 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.57 3hqi s ILE 137 CO 0.70 0.00 1.11 -0.13 -1.91 0.00 0.00 174.94 174.72 3hqi s ARG 138 N -0.54 4.61 0.44 3.50 0.52 -1.26 -0.96 118.95 125.25 3hqi s ARG 138 Ca -0.05 1.79 0.11 0.00 -0.52 0.00 0.00 55.73 57.06 3hqi s ARG 138 Cb -0.02 -3.22 0.96 0.00 0.52 0.00 0.00 34.95 33.19 3hqi s ARG 138 CO 0.04 0.13 2.04 0.00 0.02 0.00 0.00 175.30 177.53 3hqi h ARG 139 N 4.36 0.26 -0.65 3.54 3.08 -1.53 -1.91 114.38 121.53 3hqi h ARG 139 Ca -0.46 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 59.59 3hqi h ARG 139 Cb 1.21 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 3hqi h ARG 139 CO 0.69 0.25 0.41 0.78 -1.07 0.00 0.00 179.97 181.03 3hqi h GLY 140 N 0.45 0.93 1.11 0.04 0.00 -1.91 0.41 103.07 104.10 3hqi h GLY 140 Ca 0.07 -0.31 -0.17 0.00 0.00 0.00 0.00 47.33 46.92 3hqi h GLY 140 CO -0.00 0.26 -0.47 -2.75 0.00 0.00 0.00 176.54 173.58 3hqi h PHE 141 N 0.80 1.06 -0.53 5.60 3.57 -1.81 -2.99 116.94 122.64 3hqi h PHE 141 Ca 0.26 -0.36 -0.05 0.00 3.53 0.00 0.00 57.97 61.35 3hqi h PHE 141 Cb 0.01 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.52 3hqi h PHE 141 CO -0.05 1.18 0.14 1.25 -2.23 0.00 0.00 178.31 178.60 3hqi h LEU 142 N 0.64 0.79 -0.34 0.59 5.85 -0.85 -3.02 115.31 118.96 3hqi h LEU 142 Ca 0.03 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3hqi h LEU 142 Cb 1.07 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.89 3hqi h LEU 142 CO 0.11 0.80 0.00 0.18 -0.34 0.00 0.00 178.44 179.19 3hqi n LEU 143 N -4.45 0.52 -4.43 2.25 4.77 0.14 -4.58 117.00 111.21 3hqi n LEU 143 Ca 0.02 -0.21 -0.43 0.00 -0.03 0.00 0.00 56.01 55.35 3hqi n LEU 143 Cb 0.22 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3hqi n LEU 143 CO 0.40 0.11 0.68 -0.62 -1.33 0.00 0.00 177.39 176.63 3hqi s ASP 144 N -1.62 6.20 0.61 -1.43 3.68 -1.13 -4.89 116.67 118.08 3hqi s ASP 144 Ca 0.31 -1.16 0.25 0.00 2.13 0.00 0.00 52.55 54.07 3hqi s ASP 144 Cb 0.15 -2.39 1.02 0.00 -1.45 0.00 0.00 42.92 40.25 3hqi s ASP 144 CO 0.24 -1.34 1.47 -0.33 0.13 0.00 0.00 175.17 175.34 3hqi h GLU 145 N 9.43 0.00 -0.30 4.34 5.08 -1.88 0.25 114.58 131.50 3hqi h GLU 145 Ca -0.26 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.18 3hqi h GLU 145 Cb 1.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3hqi h GLU 145 CO 1.16 0.00 0.22 0.00 -1.00 0.00 0.00 179.01 179.39 3hqi h ALA 146 N 0.77 2.27 0.00 3.43 0.00 -1.94 -1.06 119.26 122.73 3hqi h ALA 146 Ca 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hqi h ALA 146 Cb 2.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 20.04 3hqi h ALA 146 CO -0.00 -0.37 -0.56 0.09 0.00 0.00 0.00 179.25 178.41 3hqi n ASN 147 N -4.42 0.54 -3.95 0.00 5.03 0.87 -5.00 115.26 108.33 3hqi n ASN 147 Ca 0.04 -0.25 -0.27 0.00 0.87 0.00 0.00 54.58 54.98 3hqi n ASN 147 Cb 0.38 0.30 -0.02 0.00 -1.02 0.00 0.00 39.78 39.42 3hqi n ASN 147 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hqi n GLY 148 N 1.48 -0.30 0.72 7.41 0.00 -0.40 -4.88 105.19 109.22 3hqi n GLY 148 Ca 0.05 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.33 3hqi n GLY 148 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hqi n LEU 149 N -4.41 2.61 -2.69 0.99 4.77 -1.26 -4.46 117.00 112.54 3hqi n LEU 149 Ca -0.29 -1.28 -0.15 0.00 -0.03 0.00 0.00 56.01 54.26 3hqi n LEU 149 Cb 0.68 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.69 3hqi n LEU 149 CO 0.75 0.53 -0.04 0.18 -1.33 0.00 0.00 177.39 177.48 3hqi n LEU 150 N 0.92 2.31 -4.73 2.23 4.32 -1.26 -4.62 117.00 116.17 3hqi n LEU 150 Ca 0.11 -4.32 -0.42 0.00 -0.02 0.00 0.00 56.01 51.36 3hqi n LEU 150 Cb 0.43 0.20 -0.02 0.00 -1.62 0.00 0.00 43.42 42.40 3hqi n LEU 150 CO 0.10 1.85 1.27 -2.16 -1.22 0.00 0.00 177.39 177.23 3hqi s PRO 151 N -3.16 4.16 -2.03 3.23 0.04 -1.25 -0.74 135.00 135.24 3hqi s PRO 151 Ca 0.35 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.90 3hqi s PRO 151 Cb 0.42 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.89 3hqi s PRO 151 CO -0.04 -0.64 0.00 -0.25 0.04 0.00 0.00 177.00 176.11 3hqi n ASP 152 N 3.11 -5.69 -3.33 6.66 10.43 -1.26 -1.74 116.55 124.73 3hqi n ASP 152 Ca 0.12 0.29 -0.24 0.00 2.57 0.00 0.00 54.79 57.52 3hqi n ASP 152 Cb 0.37 -4.88 0.05 0.00 1.84 0.00 0.00 41.12 38.50 3hqi n ASP 152 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 3hqi n ASP 153 N -1.63 -6.02 -4.30 -2.24 2.03 0.08 -4.51 116.55 99.96 3hqi n ASP 153 Ca -0.23 -0.42 -0.33 0.00 0.52 0.00 0.00 54.79 54.33 3hqi n ASP 153 Cb 0.69 -4.81 -0.16 0.00 -0.72 0.00 0.00 41.12 36.12 3hqi n ASP 153 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hqi s LYS 154 N -6.02 3.23 -0.31 -0.67 1.02 -0.71 -0.14 119.74 116.13 3hqi s LYS 154 Ca 0.44 -0.77 -0.09 0.00 0.02 0.00 0.00 55.97 55.57 3hqi s LYS 154 Cb -0.20 -2.49 -0.00 0.00 -0.52 0.00 0.00 37.83 34.62 3hqi s LYS 154 CO 0.55 0.18 0.13 -1.17 -0.92 0.00 0.00 175.35 174.13 3hqi s LEU 155 N 0.38 4.07 -0.35 3.17 2.96 -0.36 -3.90 118.68 124.64 3hqi s LEU 155 Ca -0.14 -0.61 -0.09 0.00 -0.22 0.00 0.00 54.13 53.08 3hqi s LEU 155 Cb -0.17 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.59 3hqi s LEU 155 CO 0.07 -0.20 0.16 -0.89 -1.32 0.00 0.00 176.35 174.16 3hqi s THR 156 N 1.58 4.25 0.04 3.68 2.01 -1.26 0.78 115.64 126.71 3hqi s THR 156 Ca 0.04 -0.94 -0.07 0.00 0.31 0.00 0.00 61.69 61.02 3hqi s THR 156 Cb -0.17 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 68.92 3hqi s THR 156 CO 0.05 -0.19 0.31 -0.76 -0.69 0.00 0.00 174.62 173.35 3hqi s LEU 157 N 1.50 4.36 -0.10 4.42 1.43 0.10 -1.66 118.68 128.73 3hqi s LEU 157 Ca 0.01 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 3hqi s LEU 157 Cb -0.19 -2.80 0.01 0.00 0.03 0.00 0.00 46.19 43.24 3hqi s LEU 157 CO 0.05 0.22 -0.15 0.12 0.23 0.00 0.00 176.35 176.82 3hqi s PHE 158 N -1.35 1.86 -0.09 0.29 5.36 0.64 -1.01 117.98 123.69 3hqi s PHE 158 Ca 0.30 -0.83 0.03 0.00 -0.96 0.00 0.00 56.93 55.47 3hqi s PHE 158 Cb -0.13 -1.35 -0.01 0.00 -0.34 0.00 0.00 43.02 41.19 3hqi s PHE 158 CO 0.17 -0.42 -0.19 0.00 -1.46 0.00 0.00 175.22 173.32 3hqi s GLU 160 N 0.10 3.16 -0.02 0.00 2.02 0.37 -0.94 118.70 123.39 3hqi s GLU 160 Ca -0.09 -0.79 0.07 0.00 0.02 0.00 0.00 54.97 54.18 3hqi s GLU 160 Cb -0.15 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 3hqi s GLU 160 CO 0.06 0.05 -0.23 0.08 0.02 0.00 0.00 175.26 175.24 3hqi s VAL 161 N 0.70 1.81 -0.32 2.63 1.01 -0.29 -0.53 120.40 125.41 3hqi s VAL 161 Ca -0.08 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 60.91 3hqi s VAL 161 Cb -0.16 -1.50 0.10 0.00 0.00 0.00 0.00 36.38 34.82 3hqi s VAL 161 CO 0.01 0.51 0.10 -0.44 0.00 0.00 0.00 175.10 175.28 3hqi s SER 162 N -0.54 4.07 -0.08 3.32 0.01 0.53 -2.25 113.70 118.76 3hqi s SER 162 Ca 0.09 -1.71 -0.27 0.00 1.31 0.00 0.00 55.95 55.37 3hqi s SER 162 Cb -0.09 -0.92 -0.02 0.00 0.21 0.00 0.00 66.02 65.20 3hqi s SER 162 CO -0.01 -0.41 0.88 -0.69 0.41 0.00 0.00 173.24 173.43 3hqi s VAL 163 N 1.53 4.90 -0.08 3.43 1.01 -0.49 -1.21 120.40 129.48 3hqi s VAL 163 Ca 0.10 1.81 0.04 0.00 0.00 0.00 0.00 61.98 63.93 3hqi s VAL 163 Cb -0.18 -4.21 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 3hqi s VAL 163 CO -0.23 0.12 -0.20 0.68 0.00 0.00 0.00 175.10 175.47 3hqi s VAL 164 N 1.42 2.48 0.07 2.92 -7.23 0.22 -1.02 120.40 119.26 3hqi s VAL 164 Ca 0.45 -0.90 0.06 0.00 -1.81 0.00 0.00 61.98 59.78 3hqi s VAL 164 Cb -0.19 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 3hqi s VAL 164 CO 0.20 0.56 -0.17 -1.10 -0.31 0.00 0.00 175.10 174.27 3hqi s GLN 165 N -0.04 1.04 0.15 4.82 -0.21 -0.66 -4.31 119.66 120.44 3hqi s GLN 165 Ca -0.06 -0.97 -0.23 0.00 0.02 0.00 0.00 55.36 54.12 3hqi s GLN 165 Cb -0.14 -1.15 -0.08 0.00 1.00 0.00 0.00 33.01 32.64 3hqi s GLN 165 CO 0.05 0.27 0.71 0.16 -2.12 0.00 0.00 175.29 174.36 3hqi s ASP 166 N -1.56 7.24 0.05 5.90 1.47 -1.26 -1.69 116.67 126.82 3hqi s ASP 166 Ca 0.03 1.50 0.07 0.00 1.18 0.00 0.00 52.55 55.33 3hqi s ASP 166 Cb -0.09 -2.45 -0.03 0.00 -0.34 0.00 0.00 42.92 40.02 3hqi s ASP 166 CO 0.03 0.19 -0.18 -0.55 0.68 0.00 0.00 175.17 175.34 3hqi s SER 167 N -1.24 2.18 -0.27 2.11 0.15 -1.09 -4.86 113.70 110.68 3hqi s SER 167 Ca 0.35 -0.53 -0.12 0.00 0.70 0.00 0.00 55.95 56.35 3hqi s SER 167 Cb -0.21 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 63.90 3hqi s SER 167 CO 0.23 0.09 0.25 0.54 1.20 0.00 0.00 173.24 175.55 3hqi s VAL 168 N -0.90 5.27 0.50 4.45 0.11 -1.26 -0.30 120.40 128.27 3hqi s VAL 168 Ca 0.05 0.30 -0.22 0.00 -2.93 0.00 0.00 61.98 59.18 3hqi s VAL 168 Cb -0.09 -3.58 -0.06 0.00 -1.53 0.00 0.00 36.38 31.12 3hqi s VAL 168 CO 0.02 0.22 1.27 0.20 -3.33 0.00 0.00 175.10 173.49 3hqi s ASN 169 N 1.69 5.70 -0.06 3.54 0.01 -1.26 -4.87 114.94 119.69 3hqi s ASN 169 Ca 0.10 2.57 0.04 0.00 -0.71 0.00 0.00 52.86 54.86 3hqi s ASN 169 Cb -0.16 -2.62 -0.00 0.00 0.41 0.00 0.00 41.25 38.88 3hqi s ASN 169 CO 0.10 -1.26 -0.20 0.27 -1.51 0.00 0.00 177.10 174.50 3hqi s ILE 170 N -1.40 1.70 0.01 0.60 -4.36 -1.26 -5.02 121.20 111.46 3hqi s ILE 170 Ca 0.67 -0.85 -0.15 0.00 -0.26 0.00 0.00 60.65 60.07 3hqi s ILE 170 Cb -0.35 -1.47 0.02 0.00 1.25 0.00 0.00 42.46 41.91 3hqi s ILE 170 CO 0.42 0.48 0.32 -0.94 0.24 0.00 0.00 174.94 175.47 3hqi s SER 171 N 0.15 -0.19 0.55 4.36 1.04 -1.26 -5.16 113.70 113.19 3hqi s SER 171 Ca -0.09 0.01 -0.10 0.00 0.48 0.00 0.00 55.95 56.25 3hqi s SER 171 Cb -0.14 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.27 3hqi s SER 171 CO 0.04 -0.51 0.93 -0.83 0.98 0.00 0.00 173.24 173.85 3hqi s GLY 172 N -1.59 1.68 0.36 7.32 0.00 -1.26 -5.03 107.32 108.80 3hqi s GLY 172 Ca -0.10 -0.20 -0.27 0.00 0.00 0.00 0.00 44.72 44.14 3hqi s GLY 172 CO 0.02 0.03 1.27 1.62 0.00 0.00 0.00 173.10 176.04 3hqi s GLN 173 N -4.81 4.21 0.11 2.90 2.00 -1.26 -5.03 119.66 117.79 3hqi s GLN 173 Ca 0.53 2.11 0.04 0.00 -2.00 0.00 0.00 55.36 56.03 3hqi s GLN 173 Cb -0.11 -2.93 -0.04 0.00 0.80 0.00 0.00 33.01 30.74 3hqi s GLN 173 CO 0.47 -0.27 0.12 -0.80 -0.50 0.00 0.00 175.29 174.30 3hqi s ASN 174 N -0.69 5.60 0.78 6.67 0.01 -1.26 -5.12 114.94 120.93 3hqi s ASN 174 Ca 0.52 -0.03 -0.12 0.00 -0.71 0.00 0.00 52.86 52.52 3hqi s ASN 174 Cb -0.37 -1.51 0.06 0.00 0.41 0.00 0.00 41.25 39.84 3hqi s ASN 174 CO 0.49 0.13 1.13 0.28 -1.51 0.00 0.00 177.10 177.62 3hqi s THR 175 N -1.55 2.71 -0.02 1.60 -1.32 -1.26 -5.00 115.64 110.80 3hqi s THR 175 Ca 0.30 0.23 0.03 0.00 -1.21 0.00 0.00 61.69 61.04 3hqi s THR 175 Cb -0.11 -3.17 0.04 0.00 -1.51 0.00 0.00 72.50 67.74 3hqi s THR 175 CO 0.23 -0.30 0.84 0.23 -2.21 0.00 0.00 174.62 173.41 3hqi n MET 176 N -3.26 1.30 -4.37 7.08 2.81 -1.26 -5.05 117.12 114.36 3hqi n MET 176 Ca 0.07 -1.22 -0.23 0.00 -1.81 0.00 0.00 57.70 54.50 3hqi n MET 176 Cb 0.59 -0.82 -0.08 0.00 -0.71 0.00 0.00 33.22 32.19 3hqi n MET 176 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 3hqi s ASN 177 N -0.90 4.11 0.00 7.83 0.02 -1.26 -5.02 114.94 119.72 3hqi s ASN 177 Ca 0.04 -0.82 0.16 0.00 -1.02 0.00 0.00 52.86 51.23 3hqi s ASN 177 Cb 0.04 -0.60 0.83 0.00 0.02 0.00 0.00 41.25 41.54 3hqi s ASN 177 CO 0.00 0.02 1.55 0.23 0.02 0.00 0.00 177.10 178.93 3hqi n MET 178 N -0.76 1.21 -2.90 -0.60 2.81 -1.26 -4.83 117.12 110.79 3hqi n MET 178 Ca -0.06 -0.32 -0.41 0.00 -1.81 0.00 0.00 57.70 55.10 3hqi n MET 178 Cb 0.59 -1.27 -0.04 0.00 -0.71 0.00 0.00 33.22 31.79 3hqi n MET 178 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3hqi s VAL 179 N -1.93 4.90 -0.42 2.03 1.01 -1.26 -5.03 120.40 119.71 3hqi s VAL 179 Ca 0.25 1.63 -0.17 0.00 0.00 0.00 0.00 61.98 63.69 3hqi s VAL 179 Cb 0.12 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.39 3hqi s VAL 179 CO 0.19 0.07 0.42 -0.54 0.00 0.00 0.00 175.10 175.24 3hqi s LYS 180 N 1.89 3.08 -0.31 2.72 1.02 -1.26 -5.04 119.74 121.83 3hqi s LYS 180 Ca 0.39 -0.80 -0.20 0.00 0.02 0.00 0.00 55.97 55.38 3hqi s LYS 180 Cb -0.17 -3.97 -0.01 0.00 -0.52 0.00 0.00 37.83 33.16 3hqi s LYS 180 CO 0.14 -0.84 0.62 0.08 -0.92 0.00 0.00 175.35 174.43 3hqi s VAL 181 N 2.08 4.94 0.69 3.17 1.01 -1.26 -5.05 120.40 125.99 3hqi s VAL 181 Ca 0.11 0.84 -0.16 0.00 0.00 0.00 0.00 61.98 62.76 3hqi s VAL 181 Cb -0.17 -3.99 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3hqi s VAL 181 CO 0.13 -0.14 0.70 -0.81 0.00 0.00 0.00 175.10 174.98 3hqi n PRO 182 N 5.86 0.43 -2.16 2.72 -0.04 -1.26 -4.93 135.00 135.63 3hqi n PRO 182 Ca -0.01 0.19 -0.34 0.00 -0.04 0.00 0.00 63.50 63.30 3hqi n PRO 182 Cb 0.49 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.99 3hqi n PRO 182 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3hqi s GLU 183 N -2.85 3.34 0.33 0.54 1.03 -1.26 -4.96 118.70 114.87 3hqi s GLU 183 Ca 0.69 1.38 -0.28 0.00 0.03 0.00 0.00 54.97 56.79 3hqi s GLU 183 Cb -0.36 -2.02 -0.13 0.00 -0.80 0.00 0.00 34.13 30.82 3hqi s GLU 183 CO 0.54 -0.82 1.26 0.00 -1.33 0.00 0.00 175.26 174.91 3hqi n ARG 185 N 0.61 0.87 0.05 0.00 1.85 -1.26 -4.88 116.66 113.90 3hqi n ARG 185 Ca 0.05 -2.68 -0.13 0.00 -1.00 0.00 0.00 57.85 54.10 3hqi n ARG 185 Cb 0.35 -0.81 -0.08 0.00 -1.05 0.00 0.00 32.46 30.88 3hqi n ARG 185 CO 0.00 0.00 0.00 1.25 -0.01 0.00 0.00 177.63 178.87 3hqi h LEU 186 N 1.18 -0.07 -0.48 2.89 5.85 -2.00 -1.96 115.31 120.73 3hqi h LEU 186 Ca -0.11 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3hqi h LEU 186 Cb 1.52 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 3hqi h LEU 186 CO 0.10 0.09 0.22 0.00 -0.34 0.00 0.00 178.44 178.51 3hqi h ALA 187 N 0.72 0.62 -0.31 1.25 0.00 -1.87 -1.21 119.26 118.47 3hqi h ALA 187 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 3hqi h ALA 187 Cb 0.19 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hqi h ALA 187 CO 0.01 0.20 0.13 -0.44 0.00 0.00 0.00 179.25 179.16 3hqi h ASP 188 N 0.63 0.42 -0.29 0.00 3.32 -1.88 0.16 116.42 118.77 3hqi h ASP 188 Ca 0.16 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 3hqi h ASP 188 Cb 0.14 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3hqi h ASP 188 CO -0.02 0.46 0.11 -0.33 -1.72 0.00 0.00 179.24 177.73 3hqi h GLU 189 N 0.35 0.45 0.00 3.56 5.08 -1.24 -1.98 114.58 120.81 3hqi h GLU 189 Ca 0.10 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3hqi h GLU 189 Cb 0.16 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3hqi h GLU 189 CO -0.01 0.48 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.32 3hqi h LEU 190 N 0.32 0.00 -1.22 1.33 3.38 -1.02 -0.41 115.31 117.68 3hqi h LEU 190 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 3hqi h LEU 190 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3hqi h LEU 190 CO -0.01 0.09 -0.17 1.23 0.09 0.00 0.00 178.44 179.68 3hqi h GLY 191 N 0.34 0.35 2.00 0.83 0.00 0.06 -1.90 103.07 104.75 3hqi h GLY 191 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3hqi h GLY 191 CO 0.01 0.22 -0.05 -1.33 0.00 0.00 0.00 176.54 175.39 3hqi h GLY 192 N 0.88 0.00 0.54 4.60 0.00 -0.62 -0.33 103.07 108.14 3hqi h GLY 192 Ca 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3hqi h GLY 192 CO 0.03 0.00 -0.02 -2.00 0.00 0.00 0.00 176.54 174.55 3hqi h LEU 193 N 0.00 -0.06 0.23 3.11 5.85 -1.36 -1.56 115.31 121.52 3hqi h LEU 193 Ca -0.00 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3hqi h LEU 193 Cb 0.16 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3hqi h LEU 193 CO 0.01 0.40 -0.11 -0.25 -0.34 0.00 0.00 178.44 178.15 3hqi h TRP 194 N -0.53 -0.28 -0.94 1.25 2.91 -1.47 -1.89 115.95 114.99 3hqi h TRP 194 Ca -0.01 -0.01 0.09 0.00 1.13 0.00 0.00 58.89 60.10 3hqi h TRP 194 Cb 0.47 0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 29.15 3hqi h TRP 194 CO 0.08 0.08 0.61 0.93 -1.03 0.00 0.00 178.44 179.10 3hqi h GLU 195 N -0.71 0.96 -0.37 2.65 4.39 -1.16 -2.57 114.58 117.77 3hqi h GLU 195 Ca -0.03 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3hqi h GLU 195 Cb 0.49 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 3hqi h GLU 195 CO 0.05 0.63 0.00 0.09 -1.16 0.00 0.00 179.01 178.62 3hqi n ASN 196 N -4.54 4.22 -3.66 1.42 3.02 -0.59 -5.00 115.26 110.13 3hqi n ASN 196 Ca 0.16 -2.84 -0.24 0.00 -0.03 0.00 0.00 54.58 51.64 3hqi n ASN 196 Cb 0.28 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 3hqi n ASN 196 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3hqi n SER 197 N -0.03 -3.91 -4.63 6.41 7.64 -0.76 -4.94 113.62 113.41 3hqi n SER 197 Ca 0.22 -0.87 -0.35 0.00 1.01 0.00 0.00 58.87 58.88 3hqi n SER 197 Cb 0.90 -1.33 -0.10 0.00 -1.01 0.00 0.00 64.21 62.67 3hqi n SER 197 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hqi s ARG 198 N -4.90 3.30 -1.63 1.43 0.52 -0.92 -4.62 118.95 112.13 3hqi s ARG 198 Ca 0.06 -0.42 -0.17 0.00 -0.52 0.00 0.00 55.73 54.68 3hqi s ARG 198 Cb -0.04 -2.89 0.14 0.00 0.52 0.00 0.00 34.95 32.69 3hqi s ARG 198 CO 0.76 0.53 0.78 1.19 0.02 0.00 0.00 175.30 178.58 3hqi n PHE 199 N 2.68 -1.82 -1.19 -0.53 3.01 -1.26 -4.93 117.46 113.43 3hqi n PHE 199 Ca -0.18 0.77 -0.30 0.00 1.01 0.00 0.00 57.45 58.75 3hqi n PHE 199 Cb 0.53 -3.03 0.14 0.00 -0.01 0.00 0.00 39.48 37.11 3hqi n PHE 199 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3hqi s THR 200 N -3.22 2.65 0.00 4.37 -4.23 -1.26 -4.95 115.64 108.99 3hqi s THR 200 Ca 0.70 0.21 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 3hqi s THR 200 Cb -0.38 -2.69 0.00 0.00 1.34 0.00 0.00 72.50 70.78 3hqi s THR 200 CO 0.86 -0.28 0.03 -0.90 -0.54 0.00 0.00 174.62 173.79 3hqi n ASP 201 N -3.89 0.00 -3.96 3.99 5.68 -0.54 -5.00 116.55 112.83 3hqi n ASP 201 Ca 0.07 -1.00 -0.10 0.00 -0.50 0.00 0.00 54.79 53.26 3hqi n ASP 201 Cb 0.55 0.00 -0.07 0.00 -1.14 0.00 0.00 41.12 40.46 3hqi n ASP 201 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hqi s LEU 204 N 0.88 4.08 -0.47 0.00 1.43 0.22 -1.62 118.68 123.20 3hqi s LEU 204 Ca -0.09 -0.58 -0.17 0.00 -1.03 0.00 0.00 54.13 52.27 3hqi s LEU 204 Cb -0.15 -1.98 0.05 0.00 0.03 0.00 0.00 46.19 44.14 3hqi s LEU 204 CO 0.00 -0.20 0.47 0.00 0.23 0.00 0.00 176.35 176.85 3hqi s VAL 206 N 2.03 3.85 -1.34 0.00 1.01 0.17 -1.02 120.40 125.10 3hqi s VAL 206 Ca 0.09 -1.20 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 3hqi s VAL 206 Cb -0.21 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 32.95 3hqi s VAL 206 CO 0.10 -0.25 0.70 0.00 0.00 0.00 0.00 175.10 175.65 3hqi n ALA 207 N 4.82 -1.94 0.00 5.51 0.00 -1.24 -1.44 120.51 126.22 3hqi n ALA 207 Ca -0.12 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3hqi n ALA 207 Cb 0.44 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.74 3hqi n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hqi n GLY 208 N -1.62 2.69 3.74 0.00 0.00 -1.26 -5.00 105.19 103.74 3hqi n GLY 208 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3hqi n GLY 208 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hqi s GLN 209 N -0.02 4.63 -0.17 1.61 0.74 -0.52 -5.04 119.66 120.88 3hqi s GLN 209 Ca 0.00 1.30 -0.09 0.00 0.05 0.00 0.00 55.36 56.62 3hqi s GLN 209 Cb 0.00 -3.35 -0.05 0.00 1.10 0.00 0.00 33.01 30.71 3hqi s GLN 209 CO 0.00 0.30 0.13 -1.21 -0.55 0.00 0.00 175.29 173.96 3hqi s GLU 210 N -0.24 3.93 -0.03 1.67 2.02 -1.26 0.43 118.70 125.22 3hqi s GLU 210 Ca 0.43 -0.20 0.06 0.00 0.02 0.00 0.00 54.97 55.27 3hqi s GLU 210 Cb -0.23 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.66 3hqi s GLU 210 CO 0.27 0.46 -0.21 -0.06 0.02 0.00 0.00 175.26 175.74 3hqi s PHE 211 N -0.10 1.92 0.05 1.61 0.40 0.88 -4.95 117.98 117.79 3hqi s PHE 211 Ca 0.10 -0.42 -0.20 0.00 -0.60 0.00 0.00 56.93 55.80 3hqi s PHE 211 Cb -0.11 -1.25 -0.06 0.00 0.51 0.00 0.00 43.02 42.11 3hqi s PHE 211 CO 0.00 -0.08 0.60 -0.65 0.70 0.00 0.00 175.22 175.79 3hqi s GLN 212 N -0.35 4.28 0.04 0.44 -1.52 -1.26 0.69 119.66 121.99 3hqi s GLN 212 Ca 0.04 0.78 -0.01 0.00 -1.95 0.00 0.00 55.36 54.23 3hqi s GLN 212 Cb -0.09 -3.28 0.00 0.00 -0.22 0.00 0.00 33.01 29.42 3hqi s GLN 212 CO 0.00 0.53 0.07 0.00 -0.25 0.00 0.00 175.29 175.64 3hqi n ALA 213 N 2.10 -0.07 -3.91 6.09 0.00 -0.76 -4.93 120.51 119.03 3hqi n ALA 213 Ca -0.08 -0.19 -0.28 0.00 0.00 0.00 0.00 53.44 52.88 3hqi n ALA 213 Cb 0.51 0.16 -0.16 0.00 0.00 0.00 0.00 19.45 19.95 3hqi n ALA 213 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hqi s HIS 214 N -5.38 1.79 0.17 0.00 0.09 -1.26 -1.47 115.29 109.23 3hqi s HIS 214 Ca 0.03 -1.13 -0.25 0.00 -0.00 0.00 0.00 55.06 53.71 3hqi s HIS 214 Cb -0.00 -1.36 0.04 0.00 -0.00 0.00 0.00 32.58 31.26 3hqi s HIS 214 CO 0.02 -0.63 1.57 0.87 -0.00 0.00 0.00 174.74 176.57 3hqi h LYS 215 N 8.10 -0.20 -0.58 1.40 1.57 -1.95 -1.89 116.57 123.02 3hqi h LYS 215 Ca -0.25 0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.60 3hqi h LYS 215 Cb 1.11 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.37 3hqi h LYS 215 CO 0.41 -0.14 -0.56 0.00 -0.57 0.00 0.00 179.45 178.60 3hqi h ALA 216 N 0.65 -0.69 -0.88 3.86 0.00 -1.98 0.26 119.26 120.48 3hqi h ALA 216 Ca 0.19 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3hqi h ALA 216 Cb 0.56 1.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 3hqi h ALA 216 CO -0.71 -1.02 0.53 0.82 0.00 0.00 0.00 179.25 178.87 3hqi h ILE 217 N -0.28 1.24 -0.34 0.00 2.04 -1.88 0.83 117.51 119.12 3hqi h ILE 217 Ca 0.10 -0.53 -0.12 0.00 1.00 0.00 0.00 64.86 65.31 3hqi h ILE 217 Cb 0.54 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.62 3hqi h ILE 217 CO -0.70 0.26 -0.28 -0.07 0.00 0.00 0.00 178.15 177.36 3hqi h LEU 218 N 1.21 0.73 -0.55 1.44 3.38 -0.54 -2.44 115.31 118.53 3hqi h LEU 218 Ca 0.31 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.85 3hqi h LEU 218 Cb -0.05 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 3hqi h LEU 218 CO -0.06 0.97 -0.73 0.00 0.09 0.00 0.00 178.44 178.71 3hqi h ALA 219 N 1.08 0.80 -0.06 1.53 0.00 -0.10 -0.55 119.26 121.97 3hqi h ALA 219 Ca 0.08 -0.66 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 3hqi h ALA 219 Cb 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3hqi h ALA 219 CO 0.06 0.90 -0.57 0.00 0.00 0.00 0.00 179.25 179.65 3hqi h ALA 220 N 1.27 0.94 -0.01 0.00 0.00 -0.67 -3.32 119.26 117.46 3hqi h ALA 220 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hqi h ALA 220 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3hqi h ALA 220 CO 0.09 0.71 -0.31 0.54 0.00 0.00 0.00 179.25 180.28 3hqi n ARG 221 N -3.89 1.81 -3.70 0.00 1.74 -0.93 -4.90 116.66 106.78 3hqi n ARG 221 Ca -0.02 -0.73 -0.27 0.00 -0.77 0.00 0.00 57.85 56.06 3hqi n ARG 221 Cb 0.59 -1.22 -0.17 0.00 -1.02 0.00 0.00 32.46 30.64 3hqi n ARG 221 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3hqi s SER 222 N -1.77 2.69 0.43 0.55 0.15 -0.22 -4.83 113.70 110.70 3hqi s SER 222 Ca 0.12 -0.73 0.17 0.00 0.70 0.00 0.00 55.95 56.21 3hqi s SER 222 Cb 0.12 -0.48 1.08 0.00 -1.71 0.00 0.00 66.02 65.02 3hqi s SER 222 CO 0.37 -0.32 1.89 -0.65 1.20 0.00 0.00 173.24 175.74 3hqi h PRO 223 N 8.30 0.38 -0.05 5.44 0.11 -1.77 0.14 132.00 144.56 3hqi h PRO 223 Ca -0.16 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 3hqi h PRO 223 Cb 1.13 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3hqi h PRO 223 CO 0.32 0.25 -0.02 0.28 -0.21 0.00 0.00 178.00 178.62 3hqi h VAL 224 N 0.39 1.31 -0.73 3.15 2.07 -1.89 -0.40 116.25 120.16 3hqi h VAL 224 Ca 0.41 -0.97 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3hqi h VAL 224 Cb 1.02 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 3hqi h VAL 224 CO -0.14 0.26 0.23 -0.26 0.02 0.00 0.00 177.57 177.68 3hqi h PHE 225 N -0.28 1.18 -0.66 1.57 0.05 -1.59 -2.05 116.94 115.15 3hqi h PHE 225 Ca 0.01 -0.12 0.11 0.00 3.82 0.00 0.00 57.97 61.79 3hqi h PHE 225 Cb 0.43 -0.34 -0.08 0.00 2.00 0.00 0.00 35.95 37.96 3hqi h PHE 225 CO 0.06 0.93 0.25 1.03 -0.18 0.00 0.00 178.31 180.40 3hqi h SER 226 N 1.08 0.24 0.02 2.17 0.87 -0.62 -0.53 113.55 116.78 3hqi h SER 226 Ca 0.24 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.88 3hqi h SER 226 Cb 0.30 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3hqi h SER 226 CO -0.01 0.12 -0.01 0.00 -0.53 0.00 0.00 176.83 176.41 3hqi h ALA 227 N 1.47 -0.03 0.42 6.23 0.00 -0.57 -2.62 119.26 124.16 3hqi h ALA 227 Ca 0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3hqi h ALA 227 Cb 0.46 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3hqi h ALA 227 CO -0.34 -0.48 -0.50 0.52 0.00 0.00 0.00 179.25 178.45 3hqi h MET 228 N -0.10 -0.91 0.00 0.00 2.07 -0.66 0.97 114.93 116.31 3hqi h MET 228 Ca -0.00 0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.69 3hqi h MET 228 Cb 0.09 0.21 0.00 0.00 -1.87 0.00 0.00 31.60 30.03 3hqi h MET 228 CO 0.00 -0.60 0.00 1.19 1.07 0.00 0.00 176.91 178.57 3hqi n PHE 229 N -5.45 0.00 -0.08 -0.22 0.99 -0.29 -1.92 117.46 110.49 3hqi n PHE 229 Ca -0.11 0.00 -0.16 0.00 -0.00 0.00 0.00 57.45 57.18 3hqi n PHE 229 Cb 0.44 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.87 3hqi n PHE 229 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 3hqi n GLU 230 N -0.56 0.36 0.00 -1.08 4.07 0.15 -5.05 120.64 118.53 3hqi n GLU 230 Ca 0.01 0.15 0.14 0.00 -0.06 0.00 0.00 57.16 57.40 3hqi n GLU 230 Cb 0.00 -1.11 0.60 0.00 -0.06 0.00 0.00 31.44 30.88 3hqi n GLU 230 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3hqi n HIS 231 N -3.85 0.00 0.00 4.31 8.25 -0.10 -5.10 115.22 118.73 3hqi n HIS 231 Ca -0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 3hqi n HIS 231 Cb 0.64 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.36 3hqi n HIS 231 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3hqi n LYS 237 N -1.41 0.00 -0.20 -0.41 4.81 -1.26 -5.04 118.16 114.65 3hqi n LYS 237 Ca 0.09 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.65 3hqi n LYS 237 Cb 0.31 0.00 0.23 0.00 0.02 0.00 0.00 35.03 35.59 3hqi n LYS 237 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3hqi n LYS 238 N 0.00 2.52 -0.09 1.64 4.81 -1.26 -4.09 118.16 121.70 3hqi n LYS 238 Ca 0.00 -2.31 0.12 0.00 -0.87 0.00 0.00 58.31 55.25 3hqi n LYS 238 Cb 0.00 -1.52 0.30 0.00 0.02 0.00 0.00 35.03 33.83 3hqi n LYS 238 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3hqi n ASN 239 N 1.50 2.41 -4.05 3.14 3.02 -1.26 -4.75 115.26 115.27 3hqi n ASN 239 Ca 0.20 -1.81 -0.32 0.00 -0.03 0.00 0.00 54.58 52.62 3hqi n ASN 239 Cb 0.61 -0.12 -0.15 0.00 -0.61 0.00 0.00 39.78 39.51 3hqi n ASN 239 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3hqi s ARG 240 N -1.76 2.30 -0.08 3.52 3.00 -1.26 0.84 118.95 125.51 3hqi s ARG 240 Ca 0.34 -1.09 0.04 0.00 -1.00 0.00 0.00 55.73 54.03 3hqi s ARG 240 Cb 0.20 -2.68 -0.00 0.00 0.00 0.00 0.00 34.95 32.47 3hqi s ARG 240 CO 0.30 -0.46 -0.21 0.54 0.00 0.00 0.00 175.30 175.47 3hqi s VAL 241 N 1.24 1.78 -0.16 7.11 0.11 -0.64 -4.93 120.40 124.90 3hqi s VAL 241 Ca -0.04 -0.88 -0.15 0.00 -2.93 0.00 0.00 61.98 57.99 3hqi s VAL 241 Cb -0.18 -1.54 -0.04 0.00 -1.53 0.00 0.00 36.38 33.09 3hqi s VAL 241 CO -0.08 0.50 0.33 -1.61 -3.33 0.00 0.00 175.10 170.91 3hqi s GLU 242 N 0.25 4.26 -0.32 1.54 0.41 -1.26 -0.73 118.70 122.85 3hqi s GLU 242 Ca -0.12 0.15 0.01 0.00 -0.41 0.00 0.00 54.97 54.60 3hqi s GLU 242 Cb -0.16 -3.44 0.08 0.00 -1.78 0.00 0.00 34.13 28.83 3hqi s GLU 242 CO 0.06 0.19 0.02 0.42 -0.49 0.00 0.00 175.26 175.46 3hqi s ILE 243 N 0.59 2.57 -0.19 -1.63 1.01 -0.19 -4.95 121.20 118.41 3hqi s ILE 243 Ca 0.18 -1.87 0.16 0.00 0.00 0.00 0.00 60.65 59.12 3hqi s ILE 243 Cb -0.13 -2.67 0.50 0.00 0.01 0.00 0.00 42.46 40.16 3hqi s ILE 243 CO 0.05 -0.33 1.39 0.59 0.00 0.00 0.00 174.94 176.64 3hqi n ASN 244 N 4.44 3.44 0.00 3.58 3.02 -1.26 -3.60 115.26 124.89 3hqi n ASN 244 Ca -0.06 -3.16 0.00 0.00 -0.03 0.00 0.00 54.58 51.33 3hqi n ASN 244 Cb 0.42 -0.55 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 3hqi n ASN 244 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3hqi n ASP 245 N -0.74 1.02 -3.96 6.41 5.75 -1.26 -5.05 116.55 118.72 3hqi n ASP 245 Ca 0.23 -1.35 -0.14 0.00 -0.01 0.00 0.00 54.79 53.52 3hqi n ASP 245 Cb 0.89 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.84 3hqi n ASP 245 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hqi s VAL 246 N -0.35 0.32 0.16 2.12 1.01 -1.26 -4.93 120.40 117.46 3hqi s VAL 246 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.27 3hqi s VAL 246 Cb 0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 36.38 35.99 3hqi s VAL 246 CO 0.00 -0.07 0.93 -1.61 0.00 0.00 0.00 175.10 174.35 3hqi s GLU 247 N -0.51 4.74 0.32 2.72 0.41 -1.26 -4.74 118.70 120.38 3hqi s GLU 247 Ca -0.02 1.42 0.07 0.00 -0.41 0.00 0.00 54.97 56.03 3hqi s GLU 247 Cb -0.04 -3.33 0.90 0.00 -1.78 0.00 0.00 34.13 29.88 3hqi s GLU 247 CO -0.00 0.35 1.58 -1.35 -0.49 0.00 0.00 175.26 175.35 3hqi h PRO 248 N 5.00 0.02 -0.71 0.39 0.11 -1.98 0.29 132.00 135.12 3hqi h PRO 248 Ca -0.44 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 3hqi h PRO 248 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3hqi h PRO 248 CO 0.70 0.02 0.25 0.93 -0.21 0.00 0.00 178.00 179.68 3hqi h GLU 249 N 0.02 1.09 -0.01 1.05 3.07 -1.99 -1.24 114.58 116.57 3hqi h GLU 249 Ca 0.66 -0.22 -0.19 0.00 -0.50 0.00 0.00 59.36 59.11 3hqi h GLU 249 Cb 1.48 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 29.21 3hqi h GLU 249 CO -0.86 0.92 -0.83 0.28 -1.40 0.00 0.00 179.01 177.12 3hqi h VAL 250 N 1.03 1.47 -0.59 3.13 2.07 -0.95 -3.15 116.25 119.27 3hqi h VAL 250 Ca 0.23 -2.51 -0.09 0.00 0.82 0.00 0.00 66.70 65.16 3hqi h VAL 250 Cb 0.27 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 3hqi h VAL 250 CO -0.01 0.73 0.01 0.15 0.02 0.00 0.00 177.57 178.47 3hqi h PHE 251 N 0.12 1.11 -0.63 1.57 3.57 -0.48 -1.43 116.94 120.76 3hqi h PHE 251 Ca -0.04 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.27 3hqi h PHE 251 Cb 1.44 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.85 3hqi h PHE 251 CO 0.03 0.98 0.37 0.87 -2.23 0.00 0.00 178.31 178.32 3hqi h LYS 252 N 0.94 0.87 -0.67 1.11 1.57 -1.23 0.46 116.57 119.63 3hqi h LYS 252 Ca 0.17 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 3hqi h LYS 252 Cb 0.53 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 3hqi h LYS 252 CO 0.03 0.64 0.15 1.49 -0.57 0.00 0.00 179.45 181.19 3hqi h GLU 253 N 0.86 1.07 -0.40 3.15 4.57 -1.46 -0.78 114.58 121.59 3hqi h GLU 253 Ca 0.23 -0.25 -0.09 0.00 -1.18 0.00 0.00 59.36 58.06 3hqi h GLU 253 Cb 0.01 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.44 3hqi h GLU 253 CO -0.04 0.95 -0.11 1.98 -1.18 0.00 0.00 179.01 180.61 3hqi h MET 254 N 1.01 0.79 -0.41 1.92 4.05 -0.83 -2.16 114.93 119.29 3hqi h MET 254 Ca 0.21 -0.31 -0.05 0.00 -0.28 0.00 0.00 59.70 59.27 3hqi h MET 254 Cb 0.37 -0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.11 3hqi h MET 254 CO 0.00 0.92 0.05 0.52 0.23 0.00 0.00 176.91 178.63 3hqi h MET 255 N 0.60 0.64 -0.14 0.39 2.86 -0.69 -1.17 114.93 117.42 3hqi h MET 255 Ca 0.10 -0.13 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 3hqi h MET 255 Cb 0.64 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 3hqi h MET 255 CO 0.04 0.62 -0.24 0.00 1.06 0.00 0.00 176.91 178.40 3hqi h PHE 257 N 0.22 0.00 -0.30 0.00 3.57 -0.60 -1.86 116.94 117.97 3hqi h PHE 257 Ca 0.04 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.37 3hqi h PHE 257 Cb 0.55 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3hqi h PHE 257 CO 0.01 0.54 -0.46 0.82 -2.23 0.00 0.00 178.31 176.99 3hqi h ILE 258 N 0.00 1.28 0.00 1.41 2.04 -0.36 0.11 117.51 122.00 3hqi h ILE 258 Ca -0.01 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.21 3hqi h ILE 258 Cb 1.18 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3hqi h ILE 258 CO 0.07 0.53 -0.70 1.88 0.00 0.00 0.00 178.15 179.94 3hqi h TYR 259 N 0.64 0.00 0.00 1.37 -1.99 -1.34 -3.41 116.97 112.23 3hqi h TYR 259 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 3hqi h TYR 259 Cb 1.03 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.76 3hqi h TYR 259 CO 0.06 0.00 -0.19 0.25 -0.00 0.00 0.00 178.16 178.28 3hqi n THR 260 N -2.64 0.00 -1.06 -2.88 -2.24 -0.70 -4.15 114.28 100.60 3hqi n THR 260 Ca 0.02 -0.18 -0.02 0.00 -2.27 0.00 0.00 64.05 61.60 3hqi n THR 260 Cb 0.52 0.75 -0.01 0.00 -2.10 0.00 0.00 70.33 69.49 3hqi n THR 260 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hqi n GLY 261 N 0.83 0.54 3.20 3.38 0.00 0.03 -4.80 105.19 108.36 3hqi n GLY 261 Ca 0.00 -0.47 -0.17 0.00 0.00 0.00 0.00 46.02 45.38 3hqi n GLY 261 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hqi s LYS 262 N -1.37 0.90 -0.38 1.61 1.02 -1.26 -5.01 119.74 115.25 3hqi s LYS 262 Ca 0.00 -1.13 0.02 0.00 0.02 0.00 0.00 55.97 54.88 3hqi s LYS 262 Cb 0.00 -0.74 0.16 0.00 -0.52 0.00 0.00 37.83 36.73 3hqi s LYS 262 CO 0.00 0.14 0.28 0.00 -0.92 0.00 0.00 175.35 174.85 3hqi s ALA 263 N -2.02 1.17 0.38 5.17 0.00 -1.26 -3.00 121.76 122.20 3hqi s ALA 263 Ca 0.05 -2.17 0.15 0.00 0.00 0.00 0.00 51.96 49.98 3hqi s ALA 263 Cb -0.06 -1.60 0.99 0.00 0.00 0.00 0.00 23.12 22.46 3hqi s ALA 263 CO 0.02 -2.04 1.81 -1.35 0.00 0.00 0.00 175.76 174.20 3hqi h PRO 264 N 6.31 0.49 -0.51 0.00 0.11 -1.97 -2.12 132.00 134.31 3hqi h PRO 264 Ca 0.17 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.25 3hqi h PRO 264 Cb 0.94 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3hqi h PRO 264 CO 0.32 0.32 0.00 0.09 -0.21 0.00 0.00 178.00 178.52 3hqi n ASN 265 N -4.61 5.24 -0.11 -2.05 3.02 -1.26 -4.55 115.26 110.93 3hqi n ASN 265 Ca 0.22 -2.91 0.15 0.00 -0.03 0.00 0.00 54.58 52.02 3hqi n ASN 265 Cb 0.72 -0.64 0.54 0.00 -0.61 0.00 0.00 39.78 39.78 3hqi n ASN 265 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hqi h LEU 266 N 3.50 0.31 -2.02 3.41 6.46 -1.77 -1.01 115.31 124.19 3hqi h LEU 266 Ca 0.00 0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.88 3hqi h LEU 266 Cb 1.81 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 41.68 3hqi h LEU 266 CO 0.41 0.17 0.28 -2.24 -0.62 0.00 0.00 178.44 176.44 3hqi h ASP 267 N 0.33 0.00 0.06 1.25 2.03 -1.83 -1.00 116.42 117.26 3hqi h ASP 267 Ca 0.32 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.62 3hqi h ASP 267 Cb 0.80 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.30 3hqi h ASP 267 CO -0.09 0.00 -0.45 0.29 -1.03 0.00 0.00 179.24 177.96 3hqi n LYS 268 N -4.34 1.01 -1.54 4.15 5.02 -0.38 -4.52 118.16 117.55 3hqi n LYS 268 Ca 0.06 -0.78 -0.02 0.00 -2.02 0.00 0.00 58.31 55.55 3hqi n LYS 268 Cb 0.47 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.99 3hqi n LYS 268 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hqi n MET 269 N -0.32 0.33 -0.00 1.97 0.00 -0.98 -4.93 117.12 113.20 3hqi n MET 269 Ca 0.10 -1.58 0.19 0.00 0.00 0.00 0.00 57.70 56.41 3hqi n MET 269 Cb 0.42 0.14 0.66 0.00 0.00 0.00 0.00 33.22 34.45 3hqi n MET 269 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hqi h ALA 270 N 0.69 2.42 -0.11 3.17 0.00 -1.43 0.25 119.26 124.25 3hqi h ALA 270 Ca -0.41 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.28 3hqi h ALA 270 Cb 1.54 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.37 3hqi h ALA 270 CO -0.11 -0.56 -0.75 0.38 0.00 0.00 0.00 179.25 178.21 3hqi h ASP 271 N 0.05 0.85 -0.03 0.00 2.03 -1.91 -2.18 116.42 115.23 3hqi h ASP 271 Ca 0.25 -0.66 -0.22 0.00 -0.73 0.00 0.00 57.03 55.67 3hqi h ASP 271 Cb 0.91 -0.25 0.02 0.00 -0.83 0.00 0.00 39.33 39.18 3hqi h ASP 271 CO -0.01 1.37 -0.86 0.44 -1.03 0.00 0.00 179.24 179.15 3hqi h ASP 272 N 0.39 0.80 0.07 4.15 3.32 -1.77 -3.09 116.42 120.29 3hqi h ASP 272 Ca -0.06 -0.72 -0.01 0.00 0.02 0.00 0.00 57.03 56.25 3hqi h ASP 272 Cb 1.39 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 3hqi h ASP 272 CO 0.15 1.42 -0.06 0.25 -1.72 0.00 0.00 179.24 179.28 3hqi h LEU 273 N 0.26 0.00 -0.01 1.55 5.85 -0.60 0.09 115.31 122.45 3hqi h LEU 273 Ca -0.10 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3hqi h LEU 273 Cb 1.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.55 3hqi h LEU 273 CO 0.17 0.06 0.00 0.25 -0.34 0.00 0.00 178.44 178.59 3hqi h LEU 274 N 0.00 0.01 -0.27 2.25 5.85 -1.35 0.27 115.31 122.07 3hqi h LEU 274 Ca -0.00 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3hqi h LEU 274 Cb 0.11 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3hqi h LEU 274 CO 0.01 0.19 0.14 0.00 -0.34 0.00 0.00 178.44 178.44 3hqi h ALA 275 N 0.83 0.33 0.06 1.25 0.00 -1.19 0.02 119.26 120.56 3hqi h ALA 275 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hqi h ALA 275 Cb 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hqi h ALA 275 CO -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 179.25 178.98 3hqi h ALA 276 N 1.13 -0.08 -0.87 0.00 0.00 -0.88 -0.51 119.26 118.05 3hqi h ALA 276 Ca 0.11 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3hqi h ALA 276 Cb 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3hqi h ALA 276 CO -0.06 -0.53 0.56 0.00 0.00 0.00 0.00 179.25 179.22 3hqi h ALA 277 N 0.82 1.68 -0.25 0.00 0.00 -0.20 -1.65 119.26 119.66 3hqi h ALA 277 Ca -0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3hqi h ALA 277 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hqi h ALA 277 CO 0.01 0.13 -0.32 0.22 0.00 0.00 0.00 179.25 179.30 3hqi h ASP 278 N 0.83 0.72 0.05 0.00 3.58 -0.51 -0.32 116.42 120.77 3hqi h ASP 278 Ca 0.41 -0.50 -0.08 0.00 0.42 0.00 0.00 57.03 57.28 3hqi h ASP 278 Cb 0.46 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.29 3hqi h ASP 278 CO -0.17 1.07 -0.24 0.50 -2.88 0.00 0.00 179.24 177.51 3hqi h LYS 279 N 0.38 0.33 -0.68 0.28 3.11 -0.29 -3.04 116.57 116.66 3hqi h LYS 279 Ca 0.03 -0.11 0.00 0.00 -2.81 0.00 0.00 60.65 57.76 3hqi h LYS 279 Cb 0.89 -0.03 0.00 0.00 -1.00 0.00 0.00 32.23 32.10 3hqi h LYS 279 CO 0.08 0.56 0.00 0.66 -2.81 0.00 0.00 179.45 177.93 3hqi n TYR 280 N -4.15 1.21 -3.62 1.91 4.02 -0.70 -4.95 117.16 110.88 3hqi n TYR 280 Ca -0.01 -0.56 -0.21 0.00 -0.01 0.00 0.00 57.90 57.11 3hqi n TYR 280 Cb 0.37 -0.12 0.04 0.00 -0.02 0.00 0.00 39.34 39.62 3hqi n TYR 280 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hqi n ALA 281 N 1.34 -2.13 -3.46 -0.72 0.00 -0.94 -4.11 120.51 110.49 3hqi n ALA 281 Ca 0.25 -0.13 -0.34 0.00 0.00 0.00 0.00 53.44 53.22 3hqi n ALA 281 Cb 0.75 -2.65 -0.06 0.00 0.00 0.00 0.00 19.45 17.49 3hqi n ALA 281 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hqi n LEU 282 N -4.13 4.45 -0.20 0.00 4.77 -0.17 -4.39 117.00 117.32 3hqi n LEU 282 Ca -0.25 -5.26 -0.03 0.00 -0.03 0.00 0.00 56.01 50.44 3hqi n LEU 282 Cb 0.66 -0.97 0.04 0.00 -2.33 0.00 0.00 43.42 40.82 3hqi n LEU 282 CO 0.66 1.76 0.69 -0.08 -1.33 0.00 0.00 177.39 179.10 3hqi h GLU 283 N 5.25 -0.08 -0.58 3.23 4.57 -1.92 -1.25 114.58 123.79 3hqi h GLU 283 Ca 0.18 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.37 3hqi h GLU 283 Cb 0.72 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.30 3hqi h GLU 283 CO 0.94 -0.05 0.38 -0.09 -1.18 0.00 0.00 179.01 179.01 3hqi h ARG 284 N -0.08 0.77 -0.37 1.92 2.43 -1.97 -0.14 114.38 116.93 3hqi h ARG 284 Ca 0.27 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 59.25 3hqi h ARG 284 Cb 0.51 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.88 3hqi h ARG 284 CO -0.66 0.51 -0.35 1.25 -1.51 0.00 0.00 179.97 179.22 3hqi h LEU 285 N 0.79 0.90 0.22 3.80 5.85 -1.74 -1.00 115.31 124.13 3hqi h LEU 285 Ca 0.21 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.55 3hqi h LEU 285 Cb -0.08 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 3hqi h LEU 285 CO -0.04 1.16 -0.37 0.50 -0.34 0.00 0.00 178.44 179.34 3hqi h LYS 286 N 0.71 -0.64 -0.44 1.25 3.64 0.03 -1.67 116.57 119.45 3hqi h LYS 286 Ca 0.07 0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3hqi h LYS 286 Cb 0.91 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.86 3hqi h LYS 286 CO 0.08 -0.43 0.08 0.28 -2.27 0.00 0.00 179.45 177.20 3hqi h VAL 287 N -0.66 1.20 0.00 2.00 2.07 -1.13 0.13 116.25 119.86 3hqi h VAL 287 Ca 0.00 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 3hqi h VAL 287 Cb 0.65 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 3hqi h VAL 287 CO -0.15 0.27 -0.04 0.24 0.02 0.00 0.00 177.57 177.91 3hqi h MET 288 N 0.65 0.00 0.18 1.57 2.86 -0.60 0.16 114.93 119.75 3hqi h MET 288 Ca 0.14 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.44 3hqi h MET 288 Cb 0.29 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.95 3hqi h MET 288 CO 0.00 0.04 -1.71 0.00 1.06 0.00 0.00 176.91 176.30 3hqi h GLU 290 N 0.06 0.87 0.10 0.00 5.08 0.04 0.23 114.58 120.97 3hqi h GLU 290 Ca -0.34 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3hqi h GLU 290 Cb 2.06 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.12 3hqi h GLU 290 CO 0.17 0.58 -0.05 0.22 -1.00 0.00 0.00 179.01 178.92 3hqi h ASP 291 N 0.90 -0.12 -0.31 1.42 3.58 -0.77 -0.45 116.42 120.67 3hqi h ASP 291 Ca 0.48 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.89 3hqi h ASP 291 Cb 0.50 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 3hqi h ASP 291 CO -0.28 -0.08 0.08 0.00 -2.88 0.00 0.00 179.24 176.09 3hqi h ALA 292 N 0.75 0.41 -0.06 -0.78 0.00 -1.01 -2.21 119.26 116.37 3hqi h ALA 292 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3hqi h ALA 292 Cb 0.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hqi h ALA 292 CO 0.02 0.07 -0.09 -0.07 0.00 0.00 0.00 179.25 179.18 3hqi h LEU 293 N 0.35 0.08 -0.40 0.00 3.38 -0.55 -2.20 115.31 115.97 3hqi h LEU 293 Ca 0.10 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.89 3hqi h LEU 293 Cb 0.28 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 3hqi h LEU 293 CO 0.00 0.18 -0.45 0.00 0.09 0.00 0.00 178.44 178.27 3hqi n SER 295 N -4.03 0.00 -0.01 0.00 7.64 -0.84 -2.60 113.62 113.78 3hqi n SER 295 Ca -0.03 -0.27 0.04 0.00 1.01 0.00 0.00 58.87 59.63 3hqi n SER 295 Cb 0.57 -0.14 -0.05 0.00 -1.01 0.00 0.00 64.21 63.59 3hqi n SER 295 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hqi n ASN 296 N -1.14 0.47 -4.51 6.43 3.02 -1.11 -5.03 115.26 113.40 3hqi n ASN 296 Ca 0.11 -0.74 -0.52 0.00 -0.03 0.00 0.00 54.58 53.40 3hqi n ASN 296 Cb 0.10 0.98 -0.05 0.00 -0.61 0.00 0.00 39.78 40.20 3hqi n ASN 296 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hqi n LEU 297 N -1.19 0.42 -3.87 3.41 4.77 -1.07 -4.96 117.00 114.51 3hqi n LEU 297 Ca 0.02 1.14 -0.09 0.00 -0.03 0.00 0.00 56.01 57.05 3hqi n LEU 297 Cb 0.15 -1.06 -0.07 0.00 -2.33 0.00 0.00 43.42 40.12 3hqi n LEU 297 CO 0.19 -1.86 -0.00 -0.94 -1.33 0.00 0.00 177.39 173.45 3hqi s SER 298 N -0.19 0.01 0.61 -1.43 1.04 -1.26 -5.00 113.70 107.48 3hqi s SER 298 Ca 0.78 -0.70 0.40 0.00 0.48 0.00 0.00 55.95 56.90 3hqi s SER 298 Cb -1.01 0.42 2.15 0.00 0.10 0.00 0.00 66.02 67.68 3hqi s SER 298 CO 0.54 -0.84 2.21 0.58 0.98 0.00 0.00 173.24 176.71 3hqi h VAL 299 N 2.57 0.00 0.00 5.02 2.07 -1.95 -1.58 116.25 122.38 3hqi h VAL 299 Ca -0.33 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.09 3hqi h VAL 299 Cb 1.22 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3hqi h VAL 299 CO 0.50 0.00 -1.03 -0.33 0.02 0.00 0.00 177.57 176.73 3hqi h GLU 300 N 0.00 0.00 0.00 1.57 5.08 -1.97 -3.40 114.58 115.86 3hqi h GLU 300 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hqi h GLU 300 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3hqi h GLU 300 CO 0.00 0.24 0.00 0.27 -1.00 0.00 0.00 179.01 178.52 3hqi n ASN 301 N -2.92 0.25 -0.29 1.42 0.23 -0.87 -4.77 115.26 108.31 3hqi n ASN 301 Ca -0.04 -0.61 0.21 0.00 -0.53 0.00 0.00 54.58 53.61 3hqi n ASN 301 Cb 0.73 0.66 0.51 0.00 -2.08 0.00 0.00 39.78 39.60 3hqi n ASN 301 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hqi h ALA 302 N 0.00 2.23 -0.15 -2.53 0.00 -1.52 -0.31 119.26 116.97 3hqi h ALA 302 Ca 0.00 0.04 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 3hqi h ALA 302 Cb 0.01 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hqi h ALA 302 CO 0.00 -0.58 -0.71 0.00 0.00 0.00 0.00 179.25 177.96 3hqi h ALA 303 N 1.61 0.29 0.08 0.00 0.00 -1.86 -1.02 119.26 118.35 3hqi h ALA 303 Ca 0.54 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3hqi h ALA 303 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3hqi h ALA 303 CO -0.24 0.62 -0.04 0.93 0.00 0.00 0.00 179.25 180.53 3hqi h GLU 304 N 0.46 -0.10 -0.77 0.00 4.39 -1.52 -2.92 114.58 114.12 3hqi h GLU 304 Ca -0.05 0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.67 3hqi h GLU 304 Cb 1.34 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.98 3hqi h GLU 304 CO 0.15 0.06 0.51 0.82 -1.16 0.00 0.00 179.01 179.39 3hqi h ILE 305 N -0.24 1.18 -0.90 3.13 2.04 -1.12 -2.17 117.51 119.43 3hqi h ILE 305 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3hqi h ILE 305 Cb 0.20 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 3hqi h ILE 305 CO 0.02 0.19 0.57 0.25 0.00 0.00 0.00 178.15 179.17 3hqi h LEU 306 N 1.02 1.06 -0.75 1.44 5.85 -1.06 0.78 115.31 123.66 3hqi h LEU 306 Ca 0.29 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.98 3hqi h LEU 306 Cb -0.08 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.64 3hqi h LEU 306 CO -0.07 0.79 0.49 0.40 -0.34 0.00 0.00 178.44 179.71 3hqi h ILE 307 N 1.23 1.16 -0.42 4.05 2.04 -1.22 0.86 117.51 125.21 3hqi h ILE 307 Ca 0.33 -0.33 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 3hqi h ILE 307 Cb -0.09 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.07 3hqi h ILE 307 CO -0.07 0.18 0.08 0.25 0.00 0.00 0.00 178.15 178.59 3hqi h LEU 308 N 0.98 0.65 -0.88 1.44 5.85 -1.02 -2.16 115.31 120.16 3hqi h LEU 308 Ca 0.29 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 3hqi h LEU 308 Cb -0.06 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3hqi h LEU 308 CO -0.08 0.73 0.47 0.00 -0.34 0.00 0.00 178.44 179.22 3hqi h ALA 309 N 0.94 1.13 0.12 1.25 0.00 -0.24 -2.63 119.26 119.82 3hqi h ALA 309 Ca 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hqi h ALA 309 Cb 0.35 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3hqi h ALA 309 CO 0.01 0.65 -0.06 -0.44 0.00 0.00 0.00 179.25 179.41 3hqi h ASP 310 N 1.23 -0.13 -0.59 0.00 3.32 -0.66 0.43 116.42 120.02 3hqi h ASP 310 Ca 0.31 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.19 3hqi h ASP 310 Cb 0.04 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.60 3hqi h ASP 310 CO -0.05 0.10 0.39 -0.07 -1.72 0.00 0.00 179.24 177.89 3hqi h LEU 311 N -0.37 0.67 -3.41 1.55 3.38 -1.30 -2.54 115.31 113.30 3hqi h LEU 311 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3hqi h LEU 311 Cb 0.30 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3hqi h LEU 311 CO 0.03 0.49 0.00 1.41 0.09 0.00 0.00 178.44 180.45 3hqi n HIS 312 N -4.45 1.48 -4.09 1.13 8.25 -1.00 -4.98 115.22 111.57 3hqi n HIS 312 Ca 0.06 -0.81 -0.41 0.00 -0.26 0.00 0.00 57.72 56.30 3hqi n HIS 312 Cb 0.05 -0.41 -0.01 0.00 1.12 0.00 0.00 29.99 30.75 3hqi n HIS 312 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 3hqi n SER 313 N 0.02 -2.93 -4.40 0.41 3.41 -0.68 -4.87 113.62 104.57 3hqi n SER 313 Ca 0.24 -1.26 -0.45 0.00 -0.26 0.00 0.00 58.87 57.15 3hqi n SER 313 Cb 1.04 -1.87 -0.00 0.00 -0.26 0.00 0.00 64.21 63.11 3hqi n SER 313 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hqi s ALA 314 N -3.73 4.33 0.16 7.33 0.00 0.06 -4.91 121.76 125.00 3hqi s ALA 314 Ca 0.36 -3.57 -0.27 0.00 0.00 0.00 0.00 51.96 48.48 3hqi s ALA 314 Cb -0.19 -3.86 0.01 0.00 0.00 0.00 0.00 23.12 19.08 3hqi s ALA 314 CO 0.97 -2.51 1.56 -0.44 0.00 0.00 0.00 175.76 175.34 3hqi h ASP 315 N 6.97 -1.59 -0.90 0.00 3.32 -1.89 0.24 116.42 122.58 3hqi h ASP 315 Ca 0.25 0.25 0.01 0.00 0.02 0.00 0.00 57.03 57.55 3hqi h ASP 315 Cb 0.88 0.71 -0.04 0.00 0.22 0.00 0.00 39.33 41.09 3hqi h ASP 315 CO 1.13 -0.34 0.59 1.56 -1.72 0.00 0.00 179.24 180.45 3hqi h GLN 316 N -0.24 1.19 -0.17 3.56 4.20 -1.99 -2.32 115.11 119.34 3hqi h GLN 316 Ca 0.16 -0.08 -0.10 0.00 0.06 0.00 0.00 58.65 58.70 3hqi h GLN 316 Cb 0.56 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3hqi h GLN 316 CO -0.69 0.80 -0.32 1.25 -0.67 0.00 0.00 178.83 179.20 3hqi h LEU 317 N 1.22 0.35 0.16 1.46 5.85 -1.65 -2.82 115.31 119.88 3hqi h LEU 317 Ca 0.33 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 3hqi h LEU 317 Cb -0.13 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 40.81 3hqi h LEU 317 CO -0.07 0.66 -0.08 0.50 -0.34 0.00 0.00 178.44 179.12 3hqi h LYS 318 N 0.30 -0.21 0.21 1.25 3.64 -0.45 -0.78 116.57 120.53 3hqi h LYS 318 Ca 0.04 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3hqi h LYS 318 Cb 0.72 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.58 3hqi h LYS 318 CO 0.05 -0.10 -0.13 1.15 -2.27 0.00 0.00 179.45 178.15 3hqi h THR 319 N -0.26 0.71 -0.59 1.00 2.02 -1.43 0.38 112.91 114.74 3hqi h THR 319 Ca -0.02 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.25 3hqi h THR 319 Cb 0.21 0.71 -0.07 0.00 -1.74 0.00 0.00 68.15 67.26 3hqi h THR 319 CO 0.04 0.00 0.21 1.56 0.37 0.00 0.00 175.52 177.70 3hqi h GLN 320 N -0.34 0.38 0.08 6.66 1.08 -1.45 -0.12 115.11 121.40 3hqi h GLN 320 Ca -0.02 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3hqi h GLN 320 Cb 0.28 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3hqi h GLN 320 CO 0.01 0.25 -0.04 0.00 -0.95 0.00 0.00 178.83 178.11 3hqi h ALA 321 N 1.41 -0.10 -0.04 3.87 0.00 -0.87 -0.88 119.26 122.64 3hqi h ALA 321 Ca 0.30 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3hqi h ALA 321 Cb 0.36 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3hqi h ALA 321 CO -0.30 -0.46 -0.24 0.28 0.00 0.00 0.00 179.25 178.53 3hqi h VAL 322 N -0.31 0.44 -0.76 0.00 2.07 -0.49 0.85 116.25 118.05 3hqi h VAL 322 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.56 3hqi h VAL 322 Cb 0.26 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 3hqi h VAL 322 CO 0.02 0.00 0.46 0.44 0.02 0.00 0.00 177.57 178.51 3hqi h ASP 323 N -0.35 0.73 -0.74 0.57 3.32 -1.01 -0.11 116.42 118.83 3hqi h ASP 323 Ca 0.07 0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.15 3hqi h ASP 323 Cb 0.46 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 3hqi h ASP 323 CO -0.24 0.49 0.48 0.15 -1.72 0.00 0.00 179.24 178.39 3hqi h PHE 324 N 0.87 0.91 -0.03 4.55 3.57 -0.45 0.29 116.94 126.64 3hqi h PHE 324 Ca 0.32 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 3hqi h PHE 324 Cb 0.12 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 38.55 3hqi h PHE 324 CO -0.05 0.56 0.02 0.82 -2.23 0.00 0.00 178.31 177.43 3hqi h ILE 325 N 0.97 1.07 -0.11 1.41 2.04 0.08 -2.33 117.51 120.64 3hqi h ILE 325 Ca 0.28 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.95 3hqi h ILE 325 Cb -0.07 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3hqi h ILE 325 CO -0.07 0.05 0.06 0.78 0.00 0.00 0.00 178.15 178.97 3hqi h ASN 326 N -0.03 0.13 -0.28 1.72 2.35 -0.62 -1.36 115.58 117.49 3hqi h ASN 326 Ca 0.01 -0.05 0.08 0.00 -0.55 0.00 0.00 56.30 55.79 3hqi h ASN 326 Cb 0.07 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3hqi h ASN 326 CO -0.00 0.15 0.28 0.22 -1.65 0.00 0.00 177.43 176.42 3hqi h TYR 327 N 0.10 0.00 -0.50 1.19 3.20 -0.34 0.11 116.97 120.74 3hqi h TYR 327 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3hqi h TYR 327 Cb 0.04 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.31 3hqi h TYR 327 CO -0.05 0.00 0.00 0.72 -1.64 0.00 0.00 178.16 177.19 3hqi n HIS 328 N -3.90 0.66 0.00 -3.82 8.25 -0.89 -5.09 115.22 110.44 3hqi n HIS 328 Ca 0.04 -0.50 0.00 0.00 -0.26 0.00 0.00 57.72 57.00 3hqi n HIS 328 Cb 0.43 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.52 3hqi n HIS 328 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98