#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hq4 s ALA 2 N 0.00 2.76 0.09 -5.12 0.00 -1.26 -5.01 121.76 113.22 3hq4 s ALA 2 Ca 0.00 0.48 -0.30 0.00 0.00 0.00 0.00 51.96 52.14 3hq4 s ALA 2 Cb 0.00 -3.25 -0.05 0.00 0.00 0.00 0.00 23.12 19.82 3hq4 s ALA 2 CO 0.00 -0.70 1.05 0.08 0.00 0.00 0.00 175.76 176.19 3hq4 s VAL 3 N -2.28 4.34 -0.35 0.00 1.01 0.61 -4.92 120.40 118.81 3hq4 s VAL 3 Ca 0.65 1.82 -0.16 0.00 0.00 0.00 0.00 61.98 64.29 3hq4 s VAL 3 Cb -0.17 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 3hq4 s VAL 3 CO 0.32 0.22 0.40 -0.54 0.00 0.00 0.00 175.10 175.50 3hq4 s LYS 4 N 0.41 3.54 -0.05 2.72 1.02 -1.26 -1.70 119.74 124.41 3hq4 s LYS 4 Ca 0.51 -0.40 -0.01 0.00 0.02 0.00 0.00 55.97 56.10 3hq4 s LYS 4 Cb -0.26 -3.82 -0.03 0.00 -0.52 0.00 0.00 37.83 33.20 3hq4 s LYS 4 CO 0.30 -0.57 0.02 0.08 -0.92 0.00 0.00 175.35 174.26 3hq4 s VAL 5 N 2.10 4.39 -0.03 3.17 1.01 0.91 -1.48 120.40 130.46 3hq4 s VAL 5 Ca 0.13 -0.35 0.06 0.00 0.00 0.00 0.00 61.98 61.82 3hq4 s VAL 5 Cb -0.16 -2.90 -0.01 0.00 0.00 0.00 0.00 36.38 33.30 3hq4 s VAL 5 CO 0.12 0.51 -0.21 0.00 0.00 0.00 0.00 175.10 175.52 3hq4 s ALA 6 N -0.99 1.79 -0.23 5.51 0.00 -0.53 -0.95 121.76 126.36 3hq4 s ALA 6 Ca 0.16 -0.88 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 3hq4 s ALA 6 Cb -0.11 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 3hq4 s ALA 6 CO 0.06 0.39 0.03 0.42 0.00 0.00 0.00 175.76 176.66 3hq4 s ILE 7 N -0.28 4.11 -0.29 0.00 1.01 -0.79 0.46 121.20 125.43 3hq4 s ILE 7 Ca 0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 60.65 60.32 3hq4 s ILE 7 Cb -0.10 -2.89 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 3hq4 s ILE 7 CO 0.01 0.38 0.18 0.21 0.00 0.00 0.00 174.94 175.72 3hq4 s ASN 8 N 1.35 5.85 0.00 3.58 2.47 0.64 -1.43 114.94 127.40 3hq4 s ASN 8 Ca 0.05 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.19 3hq4 s ASN 8 Cb -0.15 -2.08 0.00 0.00 -1.45 0.00 0.00 41.25 37.57 3hq4 s ASN 8 CO 0.02 -0.08 0.00 0.61 -3.72 0.00 0.00 177.10 173.93 3hq4 n GLY 9 N 5.04 -1.04 2.44 1.21 0.00 0.28 0.39 105.19 113.52 3hq4 n GLY 9 Ca -0.14 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 3hq4 n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hq4 n PHE 10 N 0.30 2.21 -1.42 1.61 7.35 -1.24 -3.99 117.46 122.29 3hq4 n PHE 10 Ca 0.00 -2.56 0.00 0.00 -0.76 0.00 0.00 57.45 54.13 3hq4 n PHE 10 Cb 0.00 -1.77 0.00 0.00 0.35 0.00 0.00 39.48 38.06 3hq4 n PHE 10 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3hq4 n GLY 11 N 1.70 1.44 0.36 7.13 0.00 -1.26 -4.50 105.19 110.06 3hq4 n GLY 11 Ca 0.60 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 3hq4 n GLY 11 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hq4 h ARG 12 N 0.00 -0.63 -0.44 1.61 2.47 -1.92 0.91 114.38 116.38 3hq4 h ARG 12 Ca 0.00 0.04 -0.06 0.00 -1.26 0.00 0.00 59.98 58.71 3hq4 h ARG 12 Cb 0.00 0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.45 3hq4 h ARG 12 CO 0.00 -0.42 0.05 0.82 0.56 0.00 0.00 179.97 180.98 3hq4 h ILE 13 N -0.65 1.25 -0.74 2.04 1.08 -1.91 -2.49 117.51 116.08 3hq4 h ILE 13 Ca -0.00 -0.93 -0.06 0.00 -0.39 0.00 0.00 64.86 63.48 3hq4 h ILE 13 Cb 0.62 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 3hq4 h ILE 13 CO -0.10 0.32 0.23 1.23 -0.69 0.00 0.00 178.15 179.14 3hq4 h GLY 14 N 0.60 1.23 1.59 5.37 0.00 -1.67 0.27 103.07 110.46 3hq4 h GLY 14 Ca 0.13 -0.73 -0.23 0.00 0.00 0.00 0.00 47.33 46.51 3hq4 h GLY 14 CO 0.01 0.68 -0.96 3.21 0.00 0.00 0.00 176.54 179.49 3hq4 h ARG 15 N 1.10 0.37 -0.02 4.80 3.08 -0.85 -1.55 114.38 121.30 3hq4 h ARG 15 Ca 0.24 -0.41 -0.12 0.00 0.07 0.00 0.00 59.98 59.76 3hq4 h ARG 15 Cb 0.31 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3hq4 h ARG 15 CO -0.01 1.09 -0.54 -0.07 -1.07 0.00 0.00 179.97 179.37 3hq4 h LEU 16 N 0.20 0.08 -0.78 3.04 3.38 -1.25 -2.13 115.31 117.85 3hq4 h LEU 16 Ca -0.08 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3hq4 h LEU 16 Cb 1.60 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.29 3hq4 h LEU 16 CO 0.16 0.60 0.35 0.00 0.09 0.00 0.00 178.44 179.64 3hq4 h ALA 17 N 1.40 1.01 -0.32 1.53 0.00 -0.37 -0.57 119.26 121.93 3hq4 h ALA 17 Ca -0.00 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3hq4 h ALA 17 Cb 0.97 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3hq4 h ALA 17 CO 0.07 0.60 0.13 0.35 0.00 0.00 0.00 179.25 180.41 3hq4 h PHE 18 N 1.11 0.24 -0.12 0.00 3.57 -0.83 -1.39 116.94 119.53 3hq4 h PHE 18 Ca 0.26 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.81 3hq4 h PHE 18 Cb 0.16 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3hq4 h PHE 18 CO 0.01 0.12 -0.06 0.00 -2.23 0.00 0.00 178.31 176.15 3hq4 h ARG 19 N 0.29 -0.06 -0.29 1.11 3.08 -0.93 -3.01 114.38 114.57 3hq4 h ARG 19 Ca 0.14 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.25 3hq4 h ARG 19 Cb 0.09 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.10 3hq4 h ARG 19 CO -0.13 -0.04 -0.04 0.00 -1.07 0.00 0.00 179.97 178.70 3hq4 h ARG 20 N -0.06 0.04 -0.11 0.04 2.47 -0.80 -2.21 114.38 113.76 3hq4 h ARG 20 Ca 0.07 -0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.82 3hq4 h ARG 20 Cb 0.16 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.47 3hq4 h ARG 20 CO -0.15 0.03 0.14 0.82 0.56 0.00 0.00 179.97 181.37 3hq4 h ILE 21 N 0.04 0.39 0.00 2.04 2.04 -1.13 0.85 117.51 121.73 3hq4 h ILE 21 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 3hq4 h ILE 21 Cb 0.20 0.88 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3hq4 h ILE 21 CO -0.27 0.00 0.00 0.00 0.00 0.00 0.00 178.15 177.88 3hq4 n GLN 22 N -3.66 0.11 0.00 2.37 1.13 -0.83 -1.61 117.38 114.89 3hq4 n GLN 22 Ca -0.00 0.42 0.12 0.00 -1.94 0.00 0.00 57.00 55.60 3hq4 n GLN 22 Cb 0.25 -1.74 0.17 0.00 0.11 0.00 0.00 30.24 29.02 3hq4 n GLN 22 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3hq4 n GLU 23 N -1.96 1.72 -3.88 -1.09 4.71 0.29 -4.92 120.64 115.52 3hq4 n GLU 23 Ca 0.02 -1.34 -0.35 0.00 -0.01 0.00 0.00 57.16 55.48 3hq4 n GLU 23 Cb 0.16 -1.47 -0.14 0.00 -1.01 0.00 0.00 31.44 28.98 3hq4 n GLU 23 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3hq4 s VAL 24 N -2.20 3.35 0.34 2.62 1.01 -0.63 -5.06 120.40 119.83 3hq4 s VAL 24 Ca 0.26 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 3hq4 s VAL 24 Cb 0.20 -2.65 -0.11 0.00 0.00 0.00 0.00 36.38 33.81 3hq4 s VAL 24 CO 0.41 0.23 1.47 -0.70 0.00 0.00 0.00 175.10 176.51 3hq4 s GLU 25 N 1.42 4.17 -0.70 2.72 2.12 -1.26 -2.86 118.70 124.31 3hq4 s GLU 25 Ca 0.03 2.48 0.00 0.00 0.36 0.00 0.00 54.97 57.84 3hq4 s GLU 25 Cb -0.16 -3.01 0.00 0.00 0.26 0.00 0.00 34.13 31.22 3hq4 s GLU 25 CO -0.02 -0.48 0.00 0.41 -0.54 0.00 0.00 175.26 174.63 3hq4 n GLY 26 N 1.01 0.77 3.38 -1.50 0.00 -1.26 -4.98 105.19 102.61 3hq4 n GLY 26 Ca 0.03 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 3hq4 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hq4 s LEU 27 N -1.51 2.78 -0.00 0.99 1.43 -1.14 -0.28 118.68 120.95 3hq4 s LEU 27 Ca 0.00 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 3hq4 s LEU 27 Cb 0.00 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.58 3hq4 s LEU 27 CO 0.00 0.16 -0.11 -1.61 0.23 0.00 0.00 176.35 175.02 3hq4 s GLU 28 N 0.39 0.86 -0.38 1.70 0.41 -0.69 -4.81 118.70 116.18 3hq4 s GLU 28 Ca -0.10 -0.42 -0.23 0.00 -0.41 0.00 0.00 54.97 53.82 3hq4 s GLU 28 Cb -0.16 -0.83 0.01 0.00 -1.78 0.00 0.00 34.13 31.38 3hq4 s GLU 28 CO 0.05 0.23 0.78 0.08 -0.49 0.00 0.00 175.26 175.91 3hq4 s VAL 29 N -0.32 4.72 -0.70 2.63 1.01 -1.26 -0.06 120.40 126.42 3hq4 s VAL 29 Ca 0.04 0.79 0.22 0.00 0.00 0.00 0.00 61.98 63.03 3hq4 s VAL 29 Cb -0.04 -4.23 -0.21 0.00 0.00 0.00 0.00 36.38 31.90 3hq4 s VAL 29 CO -0.00 -0.49 0.88 1.33 0.00 0.00 0.00 175.10 176.82 3hq4 n VAL 30 N 5.86 0.05 -3.60 2.92 0.24 -0.12 -4.73 118.33 118.94 3hq4 n VAL 30 Ca 0.03 -0.17 -0.14 0.00 -2.04 0.00 0.00 64.34 62.02 3hq4 n VAL 30 Cb 0.48 0.54 -0.06 0.00 -1.47 0.00 0.00 33.84 33.33 3hq4 n VAL 30 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hq4 s ALA 31 N -3.16 -1.28 0.01 2.33 0.00 -1.22 -1.36 121.76 117.08 3hq4 s ALA 31 Ca 0.04 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.63 3hq4 s ALA 31 Cb 0.15 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 3hq4 s ALA 31 CO 0.85 -0.46 -0.05 0.08 0.00 0.00 0.00 175.76 176.18 3hq4 s VAL 32 N -2.20 0.37 -0.02 0.00 1.01 0.13 -1.88 120.40 117.81 3hq4 s VAL 32 Ca -0.07 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3hq4 s VAL 32 Cb -0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 36.38 36.00 3hq4 s VAL 32 CO 0.00 -0.08 -0.11 0.21 0.00 0.00 0.00 175.10 175.12 3hq4 s ASN 33 N -0.61 1.37 0.00 3.32 2.47 -0.52 -1.13 114.94 119.85 3hq4 s ASN 33 Ca -0.03 -0.21 0.00 0.00 0.42 0.00 0.00 52.86 53.04 3hq4 s ASN 33 Cb -0.05 -0.32 0.00 0.00 -1.45 0.00 0.00 41.25 39.44 3hq4 s ASN 33 CO -0.00 0.10 0.00 -0.67 -3.72 0.00 0.00 177.10 172.81 3hq4 n ASP 34 N 3.15 0.00 -0.13 -4.21 2.03 -0.84 -0.56 116.55 115.99 3hq4 n ASP 34 Ca -0.17 0.00 0.06 0.00 0.52 0.00 0.00 54.79 55.20 3hq4 n ASP 34 Cb 0.55 0.00 0.10 0.00 -0.72 0.00 0.00 41.12 41.04 3hq4 n ASP 34 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hq4 n LEU 35 N 0.00 2.36 0.00 -2.67 4.77 -1.26 -2.86 117.00 117.34 3hq4 n LEU 35 Ca 0.00 -2.64 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 3hq4 n LEU 35 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 3hq4 n LEU 35 CO 0.00 0.63 0.00 1.07 -1.33 0.00 0.00 177.39 177.76 3hq4 n THR 36 N -0.94 0.00 -4.33 -5.08 5.66 -1.26 -5.03 114.28 103.30 3hq4 n THR 36 Ca 0.10 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.80 3hq4 n THR 36 Cb 0.51 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.25 3hq4 n THR 36 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3hq4 s ASP 37 N 0.37 4.39 0.29 1.09 -4.77 -1.26 -4.70 116.67 112.08 3hq4 s ASP 37 Ca 0.00 -1.48 0.04 0.00 -3.30 0.00 0.00 52.55 47.81 3hq4 s ASP 37 Cb 0.00 0.55 0.43 0.00 -1.09 0.00 0.00 42.92 42.81 3hq4 s ASP 37 CO 0.00 -1.02 1.72 0.44 0.70 0.00 0.00 175.17 177.01 3hq4 h ASP 38 N 1.01 0.40 -0.65 2.11 3.32 -1.99 0.12 116.42 120.75 3hq4 h ASP 38 Ca -0.40 -0.14 0.07 0.00 0.02 0.00 0.00 57.03 56.58 3hq4 h ASP 38 Cb 1.31 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.69 3hq4 h ASP 38 CO 0.65 0.69 0.33 -0.78 -1.72 0.00 0.00 179.24 178.42 3hq4 h ASP 39 N 0.34 0.45 -0.03 6.45 3.58 -1.96 -0.75 116.42 124.51 3hq4 h ASP 39 Ca 0.05 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.52 3hq4 h ASP 39 Cb 0.71 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.73 3hq4 h ASP 39 CO 0.05 0.28 -0.06 -0.03 -2.88 0.00 0.00 179.24 176.61 3hq4 h MET 40 N 0.60 0.09 -0.16 0.28 4.05 -1.80 -2.69 114.93 115.29 3hq4 h MET 40 Ca 0.30 -0.06 0.04 0.00 -0.28 0.00 0.00 59.70 59.71 3hq4 h MET 40 Cb 0.26 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.03 3hq4 h MET 40 CO -0.22 0.66 -0.10 -0.07 0.23 0.00 0.00 176.91 177.41 3hq4 h LEU 41 N -0.47 -0.32 -1.14 3.39 3.38 -0.76 -1.29 115.31 118.10 3hq4 h LEU 41 Ca -0.00 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.08 3hq4 h LEU 41 Cb 0.66 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.53 3hq4 h LEU 41 CO 0.01 -0.13 0.58 0.00 0.09 0.00 0.00 178.44 179.00 3hq4 h ALA 42 N 1.04 1.45 -0.08 1.53 0.00 -1.24 -1.36 119.26 120.59 3hq4 h ALA 42 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hq4 h ALA 42 Cb 0.23 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3hq4 h ALA 42 CO -0.22 0.46 -0.07 1.25 0.00 0.00 0.00 179.25 180.67 3hq4 h HIS 43 N 1.10 0.23 0.00 0.00 -0.00 -1.07 0.21 115.15 115.62 3hq4 h HIS 43 Ca 0.36 -0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 60.60 3hq4 h HIS 43 Cb 0.04 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.39 3hq4 h HIS 43 CO -0.00 0.61 -0.27 -0.07 -0.00 0.00 0.00 177.93 178.20 3hq4 h LEU 44 N -0.21 0.00 -0.23 0.26 3.38 -1.12 -1.68 115.31 115.70 3hq4 h LEU 44 Ca 0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3hq4 h LEU 44 Cb 0.56 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 3hq4 h LEU 44 CO 0.02 0.27 -0.33 0.25 0.09 0.00 0.00 178.44 178.74 3hq4 h LEU 45 N 0.00 0.69 -0.56 1.67 5.85 -1.07 -3.32 115.31 118.58 3hq4 h LEU 45 Ca -0.00 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.16 3hq4 h LEU 45 Cb 0.49 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3hq4 h LEU 45 CO 0.04 1.07 0.15 0.11 -0.34 0.00 0.00 178.44 179.46 3hq4 h LYS 46 N 0.34 0.88 -5.28 1.25 1.57 -0.49 -3.37 116.57 111.47 3hq4 h LYS 46 Ca 0.03 -0.20 -0.68 0.00 -1.87 0.00 0.00 60.65 57.93 3hq4 h LYS 46 Cb 0.91 -0.12 -0.33 0.00 0.08 0.00 0.00 32.23 32.77 3hq4 h LYS 46 CO 0.08 0.82 -0.87 0.71 -0.57 0.00 0.00 179.45 179.62 3hq4 s TYR 47 N -5.34 2.62 -0.07 -1.35 2.02 -0.68 -0.93 117.35 113.62 3hq4 s TYR 47 Ca -0.13 -1.14 -0.02 0.00 -0.37 0.00 0.00 57.07 55.41 3hq4 s TYR 47 Cb 0.12 -1.76 0.04 0.00 -0.40 0.00 0.00 41.96 39.95 3hq4 s TYR 47 CO 0.80 -0.48 0.05 0.34 -1.57 0.00 0.00 175.55 174.69 3hq4 s ASP 48 N 0.54 1.50 0.16 2.29 3.68 -1.24 -4.61 116.67 118.99 3hq4 s ASP 48 Ca -0.13 -0.10 -0.20 0.00 2.13 0.00 0.00 52.55 54.24 3hq4 s ASP 48 Cb -0.17 -0.24 0.06 0.00 -1.45 0.00 0.00 42.92 41.12 3hq4 s ASP 48 CO 0.04 -0.26 1.64 0.74 0.13 0.00 0.00 175.17 177.47 3hq4 h THR 49 N 6.42 0.47 0.00 1.71 2.02 -1.96 -2.21 112.91 119.36 3hq4 h THR 49 Ca -0.14 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.73 3hq4 h THR 49 Cb 1.13 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 3hq4 h THR 49 CO 0.20 0.00 -2.17 0.23 0.37 0.00 0.00 175.52 174.15 3hq4 n MET 50 N -5.35 0.67 0.00 6.66 2.81 -1.26 -4.49 117.12 116.16 3hq4 n MET 50 Ca 0.00 0.04 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 3hq4 n MET 50 Cb 0.27 -1.59 0.12 0.00 -0.71 0.00 0.00 33.22 31.31 3hq4 n MET 50 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3hq4 n GLN 51 N -2.76 1.56 0.00 0.03 1.13 -1.24 -4.88 117.38 111.23 3hq4 n GLN 51 Ca -0.26 -1.23 0.00 0.00 -1.94 0.00 0.00 57.00 53.57 3hq4 n GLN 51 Cb 1.06 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.94 3hq4 n GLN 51 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hq4 n GLY 52 N 1.37 -0.55 3.77 1.08 0.00 -0.83 -4.95 105.19 105.07 3hq4 n GLY 52 Ca 0.12 -1.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.06 3hq4 n GLY 52 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hq4 s ARG 53 N -2.38 4.16 0.12 1.61 0.52 -1.26 -3.66 118.95 118.06 3hq4 s ARG 53 Ca 0.00 2.04 -0.30 0.00 -0.52 0.00 0.00 55.73 56.95 3hq4 s ARG 53 Cb 0.00 -2.85 -0.07 0.00 0.52 0.00 0.00 34.95 32.55 3hq4 s ARG 53 CO 0.00 -0.29 1.11 0.12 0.02 0.00 0.00 175.30 176.26 3hq4 s PHE 54 N -1.27 3.57 -0.04 -0.53 5.36 -0.11 -4.98 117.98 119.99 3hq4 s PHE 54 Ca 0.54 1.54 -0.22 0.00 -0.96 0.00 0.00 56.93 57.83 3hq4 s PHE 54 Cb -0.36 -3.29 -0.16 0.00 -0.34 0.00 0.00 43.02 38.88 3hq4 s PHE 54 CO 0.46 -0.68 0.95 0.00 -1.46 0.00 0.00 175.22 174.49 3hq4 h THR 55 N 4.06 0.81 -1.49 0.12 1.03 -1.92 -3.47 112.91 112.04 3hq4 h THR 55 Ca -0.43 -1.00 0.00 0.00 -0.01 0.00 0.00 66.41 64.97 3hq4 h THR 55 Cb 1.21 1.32 0.00 0.00 -1.07 0.00 0.00 68.15 69.61 3hq4 h THR 55 CO 0.75 0.19 0.00 0.61 -0.01 0.00 0.00 175.52 177.06 3hq4 n GLY 56 N 0.39 -2.31 3.68 2.99 0.00 -1.26 -5.00 105.19 103.68 3hq4 n GLY 56 Ca -0.08 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 3hq4 n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hq4 s GLU 57 N -2.85 4.34 -0.24 1.61 2.12 -1.26 -4.96 118.70 117.47 3hq4 s GLU 57 Ca 0.00 1.08 0.02 0.00 0.36 0.00 0.00 54.97 56.42 3hq4 s GLU 57 Cb 0.00 -3.55 0.06 0.00 0.26 0.00 0.00 34.13 30.90 3hq4 s GLU 57 CO 0.00 -0.27 -0.09 0.08 -0.54 0.00 0.00 175.26 174.44 3hq4 s VAL 58 N 1.94 1.81 -0.04 3.70 1.01 -1.26 -1.55 120.40 126.01 3hq4 s VAL 58 Ca 0.40 -1.35 0.05 0.00 0.00 0.00 0.00 61.98 61.08 3hq4 s VAL 58 Cb -0.17 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 3hq4 s VAL 58 CO 0.14 -0.02 -0.20 -1.83 0.00 0.00 0.00 175.10 173.19 3hq4 s GLU 59 N 1.27 1.97 -0.07 2.72 -1.05 -1.02 -4.98 118.70 117.54 3hq4 s GLU 59 Ca -0.06 -0.72 -0.30 0.00 -0.15 0.00 0.00 54.97 53.74 3hq4 s GLU 59 Cb -0.19 -1.74 -0.06 0.00 -0.44 0.00 0.00 34.13 31.71 3hq4 s GLU 59 CO -0.06 0.33 1.74 0.08 0.95 0.00 0.00 175.26 178.29 3hq4 s VAL 60 N -0.14 3.47 0.53 1.83 1.01 -1.26 -1.27 120.40 124.57 3hq4 s VAL 60 Ca -0.01 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.53 3hq4 s VAL 60 Cb -0.11 -3.39 0.01 0.00 0.00 0.00 0.00 36.38 32.89 3hq4 s VAL 60 CO 0.02 -0.08 0.07 0.68 0.00 0.00 0.00 175.10 175.79 3hq4 s VAL 61 N 4.53 1.11 0.19 2.92 -7.23 -0.57 -4.94 120.40 116.42 3hq4 s VAL 61 Ca 0.77 -1.91 -0.11 0.00 -1.81 0.00 0.00 61.98 58.92 3hq4 s VAL 61 Cb -0.34 -2.02 0.11 0.00 0.56 0.00 0.00 36.38 34.69 3hq4 s VAL 61 CO 0.32 0.00 1.77 0.44 -0.31 0.00 0.00 175.10 177.32 3hq4 h ASP 62 N 1.18 0.31 -0.45 4.85 3.32 -1.99 -2.60 116.42 121.04 3hq4 h ASP 62 Ca -0.43 0.05 0.11 0.00 0.02 0.00 0.00 57.03 56.79 3hq4 h ASP 62 Cb 1.32 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.86 3hq4 h ASP 62 CO 0.70 0.20 0.32 1.23 -1.72 0.00 0.00 179.24 179.97 3hq4 h GLY 63 N 0.46 0.14 0.00 2.75 0.00 -1.97 -3.47 103.07 100.98 3hq4 h GLY 63 Ca 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.55 3hq4 h GLY 63 CO -0.23 0.02 0.00 0.61 0.00 0.00 0.00 176.54 176.95 3hq4 n GLY 64 N -1.59 0.20 3.34 4.60 0.00 -0.98 -2.80 105.19 107.95 3hq4 n GLY 64 Ca 0.07 -0.09 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 3hq4 n GLY 64 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3hq4 s PHE 65 N 0.00 -0.32 -0.22 1.61 -0.71 -0.65 -1.50 117.98 116.18 3hq4 s PHE 65 Ca 0.00 0.37 -0.06 0.00 -1.04 0.00 0.00 56.93 56.20 3hq4 s PHE 65 Cb 0.00 0.24 -0.02 0.00 -1.21 0.00 0.00 43.02 42.03 3hq4 s PHE 65 CO 0.00 -0.56 0.02 1.03 -1.34 0.00 0.00 175.22 174.37 3hq4 s ARG 66 N -2.17 3.59 -0.18 1.99 0.52 -0.40 -0.65 118.95 121.66 3hq4 s ARG 66 Ca -0.07 -0.52 -0.00 0.00 -0.52 0.00 0.00 55.73 54.62 3hq4 s ARG 66 Cb -0.01 -3.16 0.01 0.00 0.52 0.00 0.00 34.95 32.31 3hq4 s ARG 66 CO 0.00 -0.09 -0.16 0.08 0.02 0.00 0.00 175.30 175.15 3hq4 s VAL 67 N 1.29 2.49 -1.22 3.52 1.01 0.11 -2.43 120.40 125.17 3hq4 s VAL 67 Ca 0.04 -0.81 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 3hq4 s VAL 67 Cb -0.15 -2.07 0.02 0.00 0.00 0.00 0.00 36.38 34.19 3hq4 s VAL 67 CO 0.01 0.51 0.67 0.59 0.00 0.00 0.00 175.10 176.88 3hq4 n ASN 68 N 4.50 -4.00 -0.28 3.32 5.03 -0.59 -0.59 115.26 122.63 3hq4 n ASN 68 Ca -0.20 -1.16 -0.04 0.00 0.87 0.00 0.00 54.58 54.05 3hq4 n ASN 68 Cb 0.51 -2.46 -0.02 0.00 -1.02 0.00 0.00 39.78 36.79 3hq4 n ASN 68 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hq4 n GLY 69 N -1.95 0.47 3.27 7.41 0.00 -1.26 -4.99 105.19 108.13 3hq4 n GLY 69 Ca -0.13 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 3hq4 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hq4 s LYS 70 N -1.94 3.05 0.07 1.61 1.02 0.24 -5.12 119.74 118.67 3hq4 s LYS 70 Ca 0.00 -0.83 -0.30 0.00 0.02 0.00 0.00 55.97 54.86 3hq4 s LYS 70 Cb 0.00 -2.37 -0.05 0.00 -0.52 0.00 0.00 37.83 34.89 3hq4 s LYS 70 CO 0.00 0.23 1.05 -2.00 -0.92 0.00 0.00 175.35 173.71 3hq4 s GLU 71 N 0.24 4.56 -0.17 1.68 2.56 -1.26 0.08 118.70 126.40 3hq4 s GLU 71 Ca -0.14 1.56 0.01 0.00 0.00 0.00 0.00 54.97 56.40 3hq4 s GLU 71 Cb -0.17 -3.38 0.02 0.00 2.00 0.00 0.00 34.13 32.60 3hq4 s GLU 71 CO 0.07 -0.02 -0.20 0.08 -0.56 0.00 0.00 175.26 174.63 3hq4 s VAL 72 N 0.60 2.08 0.38 3.70 1.01 0.18 -4.78 120.40 123.57 3hq4 s VAL 72 Ca 0.52 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 61.32 3hq4 s VAL 72 Cb -0.25 -1.86 -0.10 0.00 0.00 0.00 0.00 36.38 34.17 3hq4 s VAL 72 CO 0.30 0.54 0.99 -0.54 0.00 0.00 0.00 175.10 176.39 3hq4 s LYS 73 N 1.15 4.32 0.07 2.72 1.02 -0.47 -1.64 119.74 126.93 3hq4 s LYS 73 Ca 0.01 1.37 0.05 0.00 0.02 0.00 0.00 55.97 57.42 3hq4 s LYS 73 Cb -0.14 -2.56 -0.03 0.00 -0.52 0.00 0.00 37.83 34.58 3hq4 s LYS 73 CO -0.10 0.03 -0.14 -1.54 -0.92 0.00 0.00 175.35 172.69 3hq4 s SER 74 N -1.71 1.63 0.24 2.83 1.04 -1.12 -0.69 113.70 115.92 3hq4 s SER 74 Ca 0.56 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 56.38 3hq4 s SER 74 Cb -0.18 -0.04 -0.05 0.00 0.10 0.00 0.00 66.02 65.84 3hq4 s SER 74 CO 0.23 -0.10 0.03 -0.36 0.98 0.00 0.00 173.24 174.02 3hq4 s PHE 75 N -1.40 1.52 -0.45 5.02 0.40 -0.28 -4.81 117.98 117.98 3hq4 s PHE 75 Ca -0.01 -1.01 0.08 0.00 -0.60 0.00 0.00 56.93 55.38 3hq4 s PHE 75 Cb -0.09 -0.90 0.26 0.00 0.51 0.00 0.00 43.02 42.80 3hq4 s PHE 75 CO 0.02 -0.15 0.60 0.45 0.70 0.00 0.00 175.22 176.85 3hq4 n SER 76 N -0.42 1.20 -3.70 1.36 2.88 -1.26 -1.99 113.62 111.70 3hq4 n SER 76 Ca -0.04 -2.92 -0.29 0.00 -1.33 0.00 0.00 58.87 54.29 3hq4 n SER 76 Cb 0.65 -0.64 -0.15 0.00 -0.75 0.00 0.00 64.21 63.31 3hq4 n SER 76 CO 0.00 0.00 0.00 -0.70 -1.23 0.00 0.00 175.04 173.11 3hq4 s GLU 77 N -1.65 0.60 0.51 -1.46 2.56 -1.14 -4.90 118.70 113.23 3hq4 s GLU 77 Ca 0.37 -0.85 0.28 0.00 0.00 0.00 0.00 54.97 54.77 3hq4 s GLU 77 Cb 0.18 -1.85 1.36 0.00 2.00 0.00 0.00 34.13 35.83 3hq4 s GLU 77 CO -0.08 -0.93 2.02 -1.00 -0.56 0.00 0.00 175.26 174.71 3hq4 h PRO 78 N 8.18 0.00 -4.90 4.30 0.13 -1.98 -3.40 132.00 134.34 3hq4 h PRO 78 Ca -0.15 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.29 3hq4 h PRO 78 Cb 1.03 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.98 3hq4 h PRO 78 CO 0.44 0.13 0.23 0.34 -0.23 0.00 0.00 178.00 178.92 3hq4 s ASP 79 N -6.07 6.18 0.51 1.44 2.15 -1.26 -4.95 116.67 114.67 3hq4 s ASP 79 Ca -0.02 -1.31 0.19 0.00 0.43 0.00 0.00 52.55 51.84 3hq4 s ASP 79 Cb 0.12 -2.33 1.27 0.00 -0.30 0.00 0.00 42.92 41.68 3hq4 s ASP 79 CO 0.58 -1.21 2.06 0.00 -0.17 0.00 0.00 175.17 176.44 3hq4 h ALA 80 N 9.29 2.19 0.00 3.66 0.00 -1.92 -0.34 119.26 132.13 3hq4 h ALA 80 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hq4 h ALA 80 Cb 1.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hq4 h ALA 80 CO 1.12 -0.26 0.00 -1.13 0.00 0.00 0.00 179.25 178.98 3hq4 n SER 81 N -4.46 0.42 -0.96 0.00 3.41 -1.25 -1.77 113.62 109.01 3hq4 n SER 81 Ca 0.04 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 3hq4 n SER 81 Cb 0.33 -0.73 0.21 0.00 -0.26 0.00 0.00 64.21 63.76 3hq4 n SER 81 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hq4 n LYS 82 N -2.03 2.29 -2.69 4.33 5.02 -0.14 -4.49 118.16 120.45 3hq4 n LYS 82 Ca 0.00 -1.91 -0.34 0.00 -2.02 0.00 0.00 58.31 54.04 3hq4 n LYS 82 Cb 0.09 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 33.57 3hq4 n LYS 82 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hq4 s LEU 83 N -1.75 3.94 -0.71 -0.35 1.43 -0.73 -4.94 118.68 115.58 3hq4 s LEU 83 Ca 0.34 1.82 -0.04 0.00 -1.03 0.00 0.00 54.13 55.21 3hq4 s LEU 83 Cb 0.21 -4.49 0.08 0.00 0.03 0.00 0.00 46.19 42.02 3hq4 s LEU 83 CO 0.31 -0.52 2.65 -0.81 0.23 0.00 0.00 176.35 178.21 3hq4 n PRO 84 N -0.66 3.07 -0.06 1.29 -0.04 -1.26 -4.63 135.00 132.72 3hq4 n PRO 84 Ca 0.07 -2.70 -0.16 0.00 -0.04 0.00 0.00 63.50 60.68 3hq4 n PRO 84 Cb 0.53 -2.29 -0.06 0.00 -0.04 0.00 0.00 33.50 31.65 3hq4 n PRO 84 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 3hq4 h TRP 85 N 3.47 1.08 -0.11 0.54 -0.00 -1.90 -2.60 115.95 116.42 3hq4 h TRP 85 Ca 0.48 -0.42 0.02 0.00 -0.00 0.00 0.00 58.89 58.97 3hq4 h TRP 85 Cb 0.59 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.55 3hq4 h TRP 85 CO 1.50 1.25 -0.02 -0.22 -0.00 0.00 0.00 178.44 180.96 3hq4 h LYS 86 N 0.60 0.02 -0.73 0.49 3.64 -1.35 -1.52 116.57 117.73 3hq4 h LYS 86 Ca -0.01 -0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.46 3hq4 h LYS 86 Cb 1.25 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 3hq4 h LYS 86 CO 0.14 0.01 0.48 0.22 -2.27 0.00 0.00 179.45 178.02 3hq4 h ASP 87 N 0.02 0.58 -0.44 4.20 3.58 -1.83 -2.16 116.42 120.37 3hq4 h ASP 87 Ca 0.05 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.51 3hq4 h ASP 87 Cb 0.07 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3hq4 h ASP 87 CO -0.10 0.35 0.00 0.18 -2.88 0.00 0.00 179.24 176.79 3hq4 n LEU 88 N -4.49 2.78 -4.01 2.28 4.77 -0.94 -4.94 117.00 112.44 3hq4 n LEU 88 Ca 0.12 -1.31 -0.30 0.00 -0.03 0.00 0.00 56.01 54.49 3hq4 n LEU 88 Cb 0.32 -0.29 -0.01 0.00 -2.33 0.00 0.00 43.42 41.11 3hq4 n LEU 88 CO 0.33 0.66 -0.07 0.59 -1.33 0.00 0.00 177.39 177.56 3hq4 n ASN 89 N 1.02 -2.38 -4.67 -1.43 3.02 -0.65 -4.86 115.26 105.32 3hq4 n ASN 89 Ca 0.18 -0.94 -0.42 0.00 -0.03 0.00 0.00 54.58 53.37 3hq4 n ASN 89 Cb 0.46 -3.23 -0.03 0.00 -0.61 0.00 0.00 39.78 36.37 3hq4 n ASN 89 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3hq4 s ILE 90 N -3.57 2.86 -0.07 2.41 -1.09 -0.73 -4.74 121.20 116.28 3hq4 s ILE 90 Ca 0.40 0.00 -0.26 0.00 -2.23 0.00 0.00 60.65 58.56 3hq4 s ILE 90 Cb -0.21 -3.00 -0.24 0.00 -1.58 0.00 0.00 42.46 37.43 3hq4 s ILE 90 CO 0.88 -0.00 1.01 0.44 -1.23 0.00 0.00 174.94 176.04 3hq4 h ASP 91 N 10.10 0.15 -3.55 3.58 3.32 -1.59 -2.56 116.42 125.87 3hq4 h ASP 91 Ca -0.49 -0.78 -0.29 0.00 0.02 0.00 0.00 57.03 55.49 3hq4 h ASP 91 Cb 1.23 -0.05 -0.33 0.00 0.22 0.00 0.00 39.33 40.41 3hq4 h ASP 91 CO 0.94 0.92 -0.73 -0.69 -1.72 0.00 0.00 179.24 177.96 3hq4 s VAL 92 N -3.09 -0.05 -0.13 -1.35 1.01 -1.01 -1.76 120.40 114.02 3hq4 s VAL 92 Ca -0.16 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 3hq4 s VAL 92 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 36.38 36.28 3hq4 s VAL 92 CO 0.72 0.08 0.54 -0.69 0.00 0.00 0.00 175.10 175.75 3hq4 s VAL 93 N 0.91 5.13 -0.36 2.92 1.01 -0.13 -1.45 120.40 128.43 3hq4 s VAL 93 Ca -0.08 1.07 -0.21 0.00 0.00 0.00 0.00 61.98 62.77 3hq4 s VAL 93 Cb -0.11 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3hq4 s VAL 93 CO -0.03 0.26 0.66 -0.76 0.00 0.00 0.00 175.10 175.24 3hq4 s LEU 94 N 0.98 4.23 -0.52 3.92 1.43 0.17 -0.56 118.68 128.33 3hq4 s LEU 94 Ca 0.28 0.19 -0.18 0.00 -1.03 0.00 0.00 54.13 53.39 3hq4 s LEU 94 Cb -0.16 -2.83 0.07 0.00 0.03 0.00 0.00 46.19 43.31 3hq4 s LEU 94 CO 0.12 -0.62 0.60 -0.70 0.23 0.00 0.00 176.35 175.98 3hq4 s GLU 95 N 2.78 3.08 -0.12 1.70 2.56 0.53 -0.26 118.70 128.96 3hq4 s GLU 95 Ca 0.26 -1.10 0.15 0.00 0.00 0.00 0.00 54.97 54.27 3hq4 s GLU 95 Cb -0.14 -4.15 0.29 0.00 2.00 0.00 0.00 34.13 32.12 3hq4 s GLU 95 CO 0.15 -1.27 1.15 0.00 -0.56 0.00 0.00 175.26 174.72 3hq4 h THR 97 N 1.66 1.32 0.00 0.00 1.35 -1.79 -3.43 112.91 112.02 3hq4 h THR 97 Ca -0.01 -2.96 0.00 0.00 -0.55 0.00 0.00 66.41 62.88 3hq4 h THR 97 Cb 1.11 2.63 0.00 0.00 -1.73 0.00 0.00 68.15 70.17 3hq4 h THR 97 CO 0.01 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 176.64 3hq4 n GLY 98 N 1.36 1.23 0.82 5.82 0.00 -1.26 -4.92 105.19 108.25 3hq4 n GLY 98 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.08 3hq4 n GLY 98 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hq4 n PHE 99 N -2.00 0.26 -2.54 1.61 3.72 -1.26 -4.51 117.46 112.74 3hq4 n PHE 99 Ca 0.00 -0.18 -0.03 0.00 -0.05 0.00 0.00 57.45 57.19 3hq4 n PHE 99 Cb 0.00 -0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.58 3hq4 n PHE 99 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hq4 n TYR 100 N 1.04 1.20 -1.52 1.38 4.01 -1.26 -4.95 117.16 117.05 3hq4 n TYR 100 Ca 0.13 -1.78 -0.35 0.00 -0.16 0.00 0.00 57.90 55.74 3hq4 n TYR 100 Cb 0.48 -0.24 -0.04 0.00 -0.31 0.00 0.00 39.34 39.23 3hq4 n TYR 100 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 3hq4 n THR 101 N -0.43 4.38 -3.64 -0.72 -2.24 -1.26 -4.30 114.28 106.07 3hq4 n THR 101 Ca 0.14 -3.09 -0.10 0.00 -2.27 0.00 0.00 64.05 58.73 3hq4 n THR 101 Cb 0.89 -2.25 -0.07 0.00 -2.10 0.00 0.00 70.33 66.81 3hq4 n THR 101 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hq4 s ASP 102 N 1.34 -0.79 0.16 3.42 2.15 -1.26 -2.06 116.67 119.62 3hq4 s ASP 102 Ca 0.63 1.40 -0.18 0.00 0.43 0.00 0.00 52.55 54.82 3hq4 s ASP 102 Cb 0.22 1.38 0.07 0.00 -0.30 0.00 0.00 42.92 44.28 3hq4 s ASP 102 CO -0.08 -0.23 1.67 0.50 -0.17 0.00 0.00 175.17 176.86 3hq4 h LYS 103 N 5.81 -0.03 -0.54 4.34 1.63 -1.13 -1.16 116.57 125.50 3hq4 h LYS 103 Ca -0.29 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.44 3hq4 h LYS 103 Cb 1.19 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.80 3hq4 h LYS 103 CO 0.11 -0.02 0.05 -0.44 -3.45 0.00 0.00 179.45 175.70 3hq4 h ASP 104 N -0.03 0.84 0.59 4.20 3.32 -1.96 -2.77 116.42 120.62 3hq4 h ASP 104 Ca 0.17 -0.20 -0.18 0.00 0.02 0.00 0.00 57.03 56.84 3hq4 h ASP 104 Cb 0.28 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3hq4 h ASP 104 CO -0.37 0.88 -0.81 0.50 -1.72 0.00 0.00 179.24 177.71 3hq4 h LYS 105 N 0.83 0.16 0.00 3.56 3.64 -1.83 -3.02 116.57 119.91 3hq4 h LYS 105 Ca 0.17 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hq4 h LYS 105 Cb 0.43 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3hq4 h LYS 105 CO 0.01 0.89 0.00 0.00 -2.27 0.00 0.00 179.45 178.08 3hq4 h ALA 106 N 1.06 1.00 0.00 5.00 0.00 -1.09 -2.35 119.26 122.88 3hq4 h ALA 106 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hq4 h ALA 106 Cb 1.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 3hq4 h ALA 106 CO 0.12 0.00 -0.01 0.37 0.00 0.00 0.00 179.25 179.73 3hq4 h GLN 107 N 0.00 0.00 -0.66 0.00 5.75 -1.35 -1.74 115.11 117.11 3hq4 h GLN 107 Ca 0.00 0.00 0.11 0.00 -0.15 0.00 0.00 58.65 58.61 3hq4 h GLN 107 Cb 0.62 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.13 3hq4 h GLN 107 CO 0.00 0.01 0.44 0.00 -2.65 0.00 0.00 178.83 176.63 3hq4 h ALA 108 N 1.99 2.03 -0.36 3.38 0.00 -1.59 -0.24 119.26 124.46 3hq4 h ALA 108 Ca -0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 3hq4 h ALA 108 Cb 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3hq4 h ALA 108 CO 0.00 -0.18 -0.22 0.45 0.00 0.00 0.00 179.25 179.30 3hq4 h HIS 109 N 0.43 0.80 -0.17 0.00 3.86 -1.56 -2.34 115.15 116.18 3hq4 h HIS 109 Ca 0.31 -0.18 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 3hq4 h HIS 109 Cb 0.62 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.90 3hq4 h HIS 109 CO -0.00 0.87 -0.26 0.82 0.86 0.00 0.00 177.93 180.22 3hq4 h ILE 110 N 0.62 1.35 -0.98 2.45 1.08 -1.24 -1.37 117.51 119.42 3hq4 h ILE 110 Ca 0.09 -1.48 0.11 0.00 -0.39 0.00 0.00 64.86 63.19 3hq4 h ILE 110 Cb 0.70 1.90 -0.08 0.00 -3.07 0.00 0.00 36.82 36.27 3hq4 h ILE 110 CO 0.05 0.45 0.61 -0.33 -0.69 0.00 0.00 178.15 178.24 3hq4 h GLU 111 N 0.12 0.96 0.00 2.37 5.08 -1.22 -1.15 114.58 120.74 3hq4 h GLU 111 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hq4 h GLU 111 Cb 0.84 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3hq4 h GLU 111 CO 0.06 0.63 0.00 0.00 -1.00 0.00 0.00 179.01 178.70 3hq4 n ALA 112 N -2.35 1.80 0.00 3.43 0.00 -0.88 -4.87 120.51 117.64 3hq4 n ALA 112 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3hq4 n ALA 112 Cb 0.32 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.37 3hq4 n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hq4 n GLY 113 N 0.30 1.18 3.79 0.00 0.00 -0.43 -1.32 105.19 108.71 3hq4 n GLY 113 Ca 0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 3hq4 n GLY 113 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hq4 s ALA 114 N -1.90 2.90 0.06 4.61 0.00 -0.56 -4.05 121.76 122.82 3hq4 s ALA 114 Ca 0.00 0.65 -0.14 0.00 0.00 0.00 0.00 51.96 52.47 3hq4 s ALA 114 Cb 0.00 -3.27 -0.26 0.00 0.00 0.00 0.00 23.12 19.59 3hq4 s ALA 114 CO 0.00 -0.33 1.14 0.87 0.00 0.00 0.00 175.76 177.44 3hq4 h LYS 115 N 1.72 0.65 -3.79 0.00 1.57 -1.43 -3.38 116.57 111.92 3hq4 h LYS 115 Ca -0.49 -0.80 -0.09 0.00 -1.87 0.00 0.00 60.65 57.40 3hq4 h LYS 115 Cb 1.22 0.25 -0.13 0.00 0.08 0.00 0.00 32.23 33.66 3hq4 h LYS 115 CO 0.59 1.36 -0.28 0.15 -0.57 0.00 0.00 179.45 180.70 3hq4 s LYS 116 N -3.11 1.12 -0.01 3.15 1.02 -0.73 -4.84 119.74 116.35 3hq4 s LYS 116 Ca -0.09 -1.08 0.03 0.00 0.02 0.00 0.00 55.97 54.85 3hq4 s LYS 116 Cb 0.06 0.39 -0.00 0.00 -0.52 0.00 0.00 37.83 37.76 3hq4 s LYS 116 CO 0.93 -0.41 -0.09 0.08 -0.92 0.00 0.00 175.35 174.94 3hq4 s VAL 117 N -3.93 0.71 -0.14 3.17 1.01 0.17 -0.95 120.40 120.44 3hq4 s VAL 117 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3hq4 s VAL 117 Cb 0.03 -0.60 0.02 0.00 0.00 0.00 0.00 36.38 35.83 3hq4 s VAL 117 CO -0.03 0.21 -0.14 -0.22 0.00 0.00 0.00 175.10 174.92 3hq4 s LEU 118 N -0.13 1.65 0.01 3.92 2.96 0.28 -2.06 118.68 125.30 3hq4 s LEU 118 Ca 0.02 -0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 53.35 3hq4 s LEU 118 Cb -0.04 -1.14 -0.05 0.00 0.50 0.00 0.00 46.19 45.45 3hq4 s LEU 118 CO -0.00 -0.05 0.36 -0.63 -1.32 0.00 0.00 176.35 174.71 3hq4 s ILE 119 N 1.46 5.13 -0.42 6.68 1.01 0.10 -0.35 121.20 134.82 3hq4 s ILE 119 Ca 0.04 0.59 -0.01 0.00 0.00 0.00 0.00 60.65 61.26 3hq4 s ILE 119 Cb -0.13 -3.64 0.25 0.00 0.01 0.00 0.00 42.46 38.95 3hq4 s ILE 119 CO -0.10 0.48 2.10 -1.54 0.00 0.00 0.00 174.94 175.87 3hq4 n SER 120 N 1.49 6.76 -3.60 3.58 3.41 -0.30 -0.38 113.62 124.59 3hq4 n SER 120 Ca -0.13 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.24 3hq4 n SER 120 Cb 0.53 -1.06 -0.01 0.00 -0.26 0.00 0.00 64.21 63.41 3hq4 n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hq4 s ALA 121 N -2.29 -2.28 0.75 7.33 0.00 -1.17 -4.93 121.76 119.17 3hq4 s ALA 121 Ca 0.41 1.30 -0.15 0.00 0.00 0.00 0.00 51.96 53.52 3hq4 s ALA 121 Cb 0.32 0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.50 3hq4 s ALA 121 CO -0.03 -0.83 1.24 -2.14 0.00 0.00 0.00 175.76 174.00 3hq4 s PRO 122 N -2.19 1.97 -0.10 0.00 0.02 -1.20 -3.99 135.00 129.51 3hq4 s PRO 122 Ca 0.13 1.89 -0.12 0.00 0.02 0.00 0.00 61.00 62.91 3hq4 s PRO 122 Cb 0.03 -1.80 0.03 0.00 0.02 0.00 0.00 34.50 32.78 3hq4 s PRO 122 CO -0.04 -2.00 0.33 0.00 -0.33 0.00 0.00 177.00 174.96 3hq4 s ALA 123 N -1.85 -0.82 0.53 -1.55 0.00 -1.26 -4.81 121.76 112.00 3hq4 s ALA 123 Ca 0.77 0.82 -0.07 0.00 0.00 0.00 0.00 51.96 53.48 3hq4 s ALA 123 Cb -0.32 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3hq4 s ALA 123 CO 0.46 -0.18 0.87 0.95 0.00 0.00 0.00 175.76 177.86 3hq4 s THR 124 N -0.13 4.74 0.00 0.00 -4.23 -0.88 -4.89 115.64 110.25 3hq4 s THR 124 Ca -0.03 0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 3hq4 s THR 124 Cb -0.03 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.98 3hq4 s THR 124 CO 0.01 -0.90 0.00 0.61 -0.54 0.00 0.00 174.62 173.80 3hq4 n GLY 125 N -2.43 -2.30 3.07 3.99 0.00 -1.26 -0.57 105.19 105.69 3hq4 n GLY 125 Ca 0.02 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 3hq4 n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hq4 n ASP 126 N 0.00 3.86 -4.07 1.61 2.03 -1.26 -4.89 116.55 113.84 3hq4 n ASP 126 Ca 0.00 -2.82 -0.10 0.00 0.52 0.00 0.00 54.79 52.39 3hq4 n ASP 126 Cb 0.00 -1.60 -0.08 0.00 -0.72 0.00 0.00 41.12 38.72 3hq4 n ASP 126 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 3hq4 s LEU 127 N 3.23 1.03 0.08 -2.67 0.05 -1.26 -5.02 118.68 114.11 3hq4 s LEU 127 Ca 0.52 -1.09 -0.12 0.00 0.05 0.00 0.00 54.13 53.49 3hq4 s LEU 127 Cb 0.10 0.93 -0.06 0.00 -2.05 0.00 0.00 46.19 45.11 3hq4 s LEU 127 CO 0.01 -0.90 0.45 -0.54 -0.55 0.00 0.00 176.35 174.81 3hq4 s LYS 128 N -4.05 3.87 -0.26 1.48 1.02 -1.26 -4.95 119.74 115.60 3hq4 s LYS 128 Ca 0.25 0.33 -0.06 0.00 0.02 0.00 0.00 55.97 56.51 3hq4 s LYS 128 Cb 0.04 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 3hq4 s LYS 128 CO 0.05 0.58 0.05 0.99 -0.92 0.00 0.00 175.35 176.10 3hq4 s THR 129 N -1.33 4.01 -0.16 2.17 2.01 -1.26 -0.99 115.64 120.10 3hq4 s THR 129 Ca 0.32 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.94 3hq4 s THR 129 Cb -0.15 -2.92 0.01 0.00 0.01 0.00 0.00 72.50 69.45 3hq4 s THR 129 CO 0.17 0.28 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.56 3hq4 s ILE 130 N 1.55 2.22 -0.31 1.82 -1.09 -0.35 -4.54 121.20 120.50 3hq4 s ILE 130 Ca 0.05 -0.91 -0.07 0.00 -2.23 0.00 0.00 60.65 57.49 3hq4 s ILE 130 Cb -0.15 -1.91 0.02 0.00 -1.58 0.00 0.00 42.46 38.83 3hq4 s ILE 130 CO 0.02 0.54 0.10 -0.69 -1.23 0.00 0.00 174.94 173.67 3hq4 s VAL 131 N 0.97 3.95 0.18 2.92 1.01 -1.26 -3.97 120.40 124.20 3hq4 s VAL 131 Ca -0.03 -0.84 -0.33 0.00 0.00 0.00 0.00 61.98 60.77 3hq4 s VAL 131 Cb -0.15 -3.11 -0.14 0.00 0.00 0.00 0.00 36.38 32.98 3hq4 s VAL 131 CO -0.05 -0.02 1.57 0.33 0.00 0.00 0.00 175.10 176.93 3hq4 n PHE 132 N 4.86 2.31 -0.99 5.22 -0.00 -1.26 -1.12 117.46 126.48 3hq4 n PHE 132 Ca -0.14 0.27 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 3hq4 n PHE 132 Cb 0.47 -2.54 0.00 0.00 -0.00 0.00 0.00 39.48 37.40 3hq4 n PHE 132 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3hq4 n ASN 133 N 3.27 -1.93 -0.04 -2.13 5.03 -1.26 -4.78 115.26 113.43 3hq4 n ASN 133 Ca 0.16 0.00 -0.08 0.00 0.87 0.00 0.00 54.58 55.53 3hq4 n ASN 133 Cb 0.30 -0.48 -0.03 0.00 -1.02 0.00 0.00 39.78 38.55 3hq4 n ASN 133 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 3hq4 n THR 134 N -2.57 0.44 -2.26 3.41 -1.04 -0.27 -4.96 114.28 107.03 3hq4 n THR 134 Ca 0.00 -0.12 0.02 0.00 -2.04 0.00 0.00 64.05 61.91 3hq4 n THR 134 Cb 0.02 -1.52 0.01 0.00 -1.82 0.00 0.00 70.33 67.02 3hq4 n THR 134 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3hq4 n ASN 135 N -3.29 0.46 0.20 8.00 6.94 -0.75 -4.90 115.26 121.92 3hq4 n ASN 135 Ca -0.15 -1.96 0.06 0.00 -0.02 0.00 0.00 54.58 52.51 3hq4 n ASN 135 Cb 0.61 -0.21 0.39 0.00 -2.36 0.00 0.00 39.78 38.22 3hq4 n ASN 135 CO 0.00 0.00 0.00 1.12 -1.03 0.00 0.00 177.26 177.35 3hq4 h HIS 136 N 0.52 0.00 0.00 -2.53 2.07 -1.93 -1.70 115.15 111.58 3hq4 h HIS 136 Ca -0.15 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.37 3hq4 h HIS 136 Cb 1.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.62 3hq4 h HIS 136 CO 0.11 0.34 0.20 0.37 -3.07 0.00 0.00 177.93 175.88 3hq4 h GLN 137 N 0.00 0.00 0.00 5.12 4.15 -1.93 -1.88 115.11 120.57 3hq4 h GLN 137 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3hq4 h GLN 137 Cb 0.78 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.47 3hq4 h GLN 137 CO 0.04 0.00 0.00 0.39 -1.93 0.00 0.00 178.83 177.33 3hq4 n GLU 138 N -2.37 0.22 -2.50 1.69 1.02 -0.64 -4.73 120.64 113.32 3hq4 n GLU 138 Ca -0.01 0.27 -0.41 0.00 -0.02 0.00 0.00 57.16 56.99 3hq4 n GLU 138 Cb 0.23 -1.80 -0.04 0.00 -0.02 0.00 0.00 31.44 29.81 3hq4 n GLU 138 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hq4 s LEU 139 N -4.37 4.53 -0.05 -4.62 1.43 -0.71 -4.97 118.68 109.92 3hq4 s LEU 139 Ca 0.09 2.17 0.07 0.00 -1.03 0.00 0.00 54.13 55.42 3hq4 s LEU 139 Cb 0.12 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.83 3hq4 s LEU 139 CO 0.52 -0.17 1.00 -0.90 0.23 0.00 0.00 176.35 177.03 3hq4 n ASP 140 N 1.80 1.06 0.00 2.29 5.68 -1.26 -5.03 116.55 121.08 3hq4 n ASP 140 Ca 0.01 -2.29 0.00 0.00 -0.50 0.00 0.00 54.79 52.01 3hq4 n ASP 140 Cb 0.45 -0.24 0.00 0.00 -1.14 0.00 0.00 41.12 40.19 3hq4 n ASP 140 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hq4 n GLY 141 N -0.58 3.00 0.29 6.12 0.00 -1.26 -4.87 105.19 107.89 3hq4 n GLY 141 Ca 0.06 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.22 3hq4 n GLY 141 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hq4 n SER 142 N 0.14 0.89 -4.71 1.61 3.41 -1.26 -4.86 113.62 108.84 3hq4 n SER 142 Ca 0.00 -1.32 -0.42 0.00 -0.26 0.00 0.00 58.87 56.87 3hq4 n SER 142 Cb 0.00 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.91 3hq4 n SER 142 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3hq4 s GLU 143 N -1.99 4.57 -0.19 4.33 8.01 -1.26 -4.95 118.70 127.21 3hq4 s GLU 143 Ca 0.41 1.46 0.14 0.00 0.01 0.00 0.00 54.97 56.99 3hq4 s GLU 143 Cb 0.21 -3.44 -0.23 0.00 -4.31 0.00 0.00 34.13 26.36 3hq4 s GLU 143 CO 0.34 -0.04 0.08 0.25 0.01 0.00 0.00 175.26 175.90 3hq4 n THR 144 N 3.75 1.44 -4.87 3.63 -2.24 -1.26 -4.94 114.28 109.79 3hq4 n THR 144 Ca 0.06 -0.80 -0.29 0.00 -2.27 0.00 0.00 64.05 60.75 3hq4 n THR 144 Cb 0.50 -0.70 -0.17 0.00 -2.10 0.00 0.00 70.33 67.86 3hq4 n THR 144 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3hq4 s VAL 145 N -2.51 1.64 0.01 2.28 1.01 -1.26 -0.65 120.40 120.92 3hq4 s VAL 145 Ca -0.14 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3hq4 s VAL 145 Cb 0.07 -1.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 3hq4 s VAL 145 CO 0.79 0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 175.63 3hq4 s VAL 146 N 0.56 0.25 -0.14 2.92 1.01 -0.88 -4.40 120.40 119.72 3hq4 s VAL 146 Ca -0.15 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.33 3hq4 s VAL 146 Cb -0.17 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 3hq4 s VAL 146 CO 0.05 -0.12 0.10 -0.55 0.00 0.00 0.00 175.10 174.58 3hq4 s SER 147 N -0.59 6.04 -0.12 3.32 0.15 -0.16 -0.72 113.70 121.63 3hq4 s SER 147 Ca -0.04 0.31 0.06 0.00 0.70 0.00 0.00 55.95 56.99 3hq4 s SER 147 Cb -0.04 -1.95 0.39 0.00 -1.71 0.00 0.00 66.02 62.70 3hq4 s SER 147 CO -0.00 0.33 1.10 0.61 1.20 0.00 0.00 173.24 176.48 3hq4 n GLY 148 N 2.50 2.24 7.00 9.45 0.00 0.49 -1.21 105.19 125.67 3hq4 n GLY 148 Ca -0.19 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3hq4 n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hq4 n ALA 149 N 0.27 0.00 -2.54 4.61 0.00 -1.25 -4.74 120.51 116.86 3hq4 n ALA 149 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.35 3hq4 n ALA 149 Cb 0.71 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.10 3hq4 n ALA 149 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hq4 s SER 150 N -4.00 4.81 0.18 0.00 1.04 -1.26 -3.06 113.70 111.41 3hq4 s SER 150 Ca 0.00 -0.70 -0.16 0.00 0.48 0.00 0.00 55.95 55.58 3hq4 s SER 150 Cb 0.00 -0.80 0.14 0.00 0.10 0.00 0.00 66.02 65.46 3hq4 s SER 150 CO 0.00 -0.28 1.66 0.77 0.98 0.00 0.00 173.24 176.38 3hq4 h SER 151 N 1.52 -0.38 -0.28 7.02 4.64 -1.90 -1.14 113.55 123.03 3hq4 h SER 151 Ca -0.44 0.13 -0.05 0.00 -0.47 0.00 0.00 61.79 60.96 3hq4 h SER 151 Cb 1.25 0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 3hq4 h SER 151 CO 0.62 -0.14 -0.02 0.74 -0.87 0.00 0.00 176.83 177.17 3hq4 h THR 152 N 0.02 1.26 -0.97 2.95 2.02 -1.96 -0.06 112.91 116.17 3hq4 h THR 152 Ca 0.23 -0.97 0.00 0.00 0.77 0.00 0.00 66.41 66.44 3hq4 h THR 152 Cb 0.35 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 68.05 3hq4 h THR 152 CO -0.46 0.31 0.62 0.74 0.37 0.00 0.00 175.52 177.10 3hq4 h THR 153 N 0.28 1.26 -0.11 3.16 2.02 -1.86 0.87 112.91 118.53 3hq4 h THR 153 Ca 0.08 -0.50 -0.06 0.00 0.77 0.00 0.00 66.41 66.69 3hq4 h THR 153 Cb 0.46 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 3hq4 h THR 153 CO 0.02 0.26 -0.20 0.78 0.37 0.00 0.00 175.52 176.75 3hq4 h ASN 154 N 1.33 0.17 1.01 4.18 2.35 -0.73 -1.04 115.58 122.86 3hq4 h ASN 154 Ca 0.35 -0.04 -0.13 0.00 -0.55 0.00 0.00 56.30 55.93 3hq4 h ASN 154 Cb -0.11 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.19 3hq4 h ASN 154 CO -0.07 0.39 -0.62 0.77 -1.65 0.00 0.00 177.43 176.25 3hq4 h SER 155 N 0.17 0.00 0.11 5.81 4.64 0.80 -3.37 113.55 121.72 3hq4 h SER 155 Ca 0.03 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.99 3hq4 h SER 155 Cb 0.45 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 3hq4 h SER 155 CO 0.03 0.62 -1.99 -0.11 -0.87 0.00 0.00 176.83 174.51 3hq4 n LEU 156 N -3.45 2.62 0.02 5.97 7.94 0.12 -4.53 117.00 125.67 3hq4 n LEU 156 Ca 0.00 0.20 -0.10 0.00 -1.11 0.00 0.00 56.01 55.00 3hq4 n LEU 156 Cb 0.70 -1.10 -0.04 0.00 0.53 0.00 0.00 43.42 43.51 3hq4 n LEU 156 CO 0.41 0.83 0.67 0.00 -1.11 0.00 0.00 177.39 178.20 3hq4 h ALA 157 N 0.03 -0.32 0.00 1.96 0.00 -1.35 -1.44 119.26 118.15 3hq4 h ALA 157 Ca -0.43 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3hq4 h ALA 157 Cb 1.99 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 20.30 3hq4 h ALA 157 CO 0.06 -0.76 -0.16 -1.00 0.00 0.00 0.00 179.25 177.39 3hq4 h PRO 158 N -0.37 0.00 -0.02 0.00 0.13 -1.81 0.16 132.00 130.09 3hq4 h PRO 158 Ca 0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 3hq4 h PRO 158 Cb 0.51 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.63 3hq4 h PRO 158 CO -0.31 0.16 -0.02 0.28 -0.23 0.00 0.00 178.00 177.89 3hq4 h VAL 159 N 0.00 1.38 -0.48 1.56 2.07 -1.65 -2.83 116.25 116.31 3hq4 h VAL 159 Ca -0.00 -1.16 -0.06 0.00 0.82 0.00 0.00 66.70 66.30 3hq4 h VAL 159 Cb 0.39 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3hq4 h VAL 159 CO 0.02 0.31 0.06 0.00 0.02 0.00 0.00 177.57 177.98 3hq4 h ALA 160 N 0.53 1.21 -0.58 1.67 0.00 -0.85 -1.68 119.26 119.55 3hq4 h ALA 160 Ca 0.00 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 3hq4 h ALA 160 Cb 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3hq4 h ALA 160 CO 0.00 0.53 0.19 -0.22 0.00 0.00 0.00 179.25 179.75 3hq4 h LYS 161 N 0.72 0.90 -0.33 0.00 3.64 -0.99 -1.80 116.57 118.71 3hq4 h LYS 161 Ca 0.15 -0.19 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 3hq4 h LYS 161 Cb 0.36 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3hq4 h LYS 161 CO 0.01 0.81 -0.31 0.28 -2.27 0.00 0.00 179.45 177.97 3hq4 h VAL 162 N 0.82 1.29 -0.64 2.00 2.07 -1.22 -0.18 116.25 120.38 3hq4 h VAL 162 Ca 0.19 -1.47 0.07 0.00 0.82 0.00 0.00 66.70 66.30 3hq4 h VAL 162 Cb 0.28 1.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 3hq4 h VAL 162 CO -0.01 0.48 0.34 -0.07 0.02 0.00 0.00 177.57 178.33 3hq4 h LEU 163 N 0.57 0.47 -0.01 2.57 3.38 -1.20 -0.24 115.31 120.85 3hq4 h LEU 163 Ca 0.06 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3hq4 h LEU 163 Cb 0.88 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3hq4 h LEU 163 CO 0.08 0.30 -0.03 -1.13 0.09 0.00 0.00 178.44 177.75 3hq4 h ASN 164 N 0.61 0.05 -0.81 -0.43 -1.24 -1.22 -1.45 115.58 111.09 3hq4 h ASN 164 Ca 0.30 -0.58 -0.01 0.00 0.71 0.00 0.00 56.30 56.71 3hq4 h ASN 164 Cb 0.23 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.23 3hq4 h ASN 164 CO -0.21 0.62 0.45 0.44 -1.29 0.00 0.00 177.43 177.45 3hq4 h ASP 165 N -0.52 1.00 0.62 1.15 3.32 -0.87 -1.55 116.42 119.58 3hq4 h ASP 165 Ca 0.00 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.89 3hq4 h ASP 165 Cb 0.61 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.90 3hq4 h ASP 165 CO 0.01 0.80 -1.44 0.47 -1.72 0.00 0.00 179.24 177.36 3hq4 n ASP 166 N -4.42 0.60 0.00 6.45 8.00 -0.11 -4.64 116.55 122.43 3hq4 n ASP 166 Ca 0.08 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.82 3hq4 n ASP 166 Cb 0.09 0.77 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 3hq4 n ASP 166 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hq4 n PHE 167 N -2.64 0.00 -1.69 1.24 3.72 -0.56 -4.97 117.46 112.56 3hq4 n PHE 167 Ca -0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.33 3hq4 n PHE 167 Cb 0.67 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.20 3hq4 n PHE 167 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hq4 n GLY 168 N 0.71 -3.44 3.63 1.37 0.00 -0.58 -0.69 105.19 106.19 3hq4 n GLY 168 Ca 0.00 0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 3hq4 n GLY 168 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hq4 s LEU 169 N -0.14 3.85 -0.11 0.99 2.96 -1.26 -0.04 118.68 124.93 3hq4 s LEU 169 Ca -0.06 0.90 -0.19 0.00 -0.22 0.00 0.00 54.13 54.55 3hq4 s LEU 169 Cb 0.00 -3.55 -0.17 0.00 0.50 0.00 0.00 46.19 42.98 3hq4 s LEU 169 CO 0.15 -0.99 0.58 0.58 -1.32 0.00 0.00 176.35 175.35 3hq4 h VAL 170 N 5.87 1.13 -1.02 1.68 2.07 -1.51 -3.47 116.25 121.01 3hq4 h VAL 170 Ca -0.21 -1.75 0.36 0.00 0.82 0.00 0.00 66.70 65.92 3hq4 h VAL 170 Cb 1.06 2.10 -0.18 0.00 -1.52 0.00 0.00 31.29 32.75 3hq4 h VAL 170 CO 1.06 0.37 0.99 -1.83 0.02 0.00 0.00 177.57 178.18 3hq4 s GLU 171 N -2.27 0.01 -0.09 1.57 -1.05 -1.18 -4.90 118.70 110.80 3hq4 s GLU 171 Ca -0.13 -0.01 -0.30 0.00 -0.15 0.00 0.00 54.97 54.39 3hq4 s GLU 171 Cb -0.02 0.01 0.12 0.00 -0.44 0.00 0.00 34.13 33.80 3hq4 s GLU 171 CO 0.46 -0.01 0.97 0.20 0.95 0.00 0.00 175.26 177.84 3hq4 s GLY 172 N -2.43 -0.36 0.09 -3.83 0.00 -0.32 -1.09 107.32 99.38 3hq4 s GLY 172 Ca 0.13 1.49 0.08 0.00 0.00 0.00 0.00 44.72 46.42 3hq4 s GLY 172 CO -0.04 0.63 -0.20 1.08 0.00 0.00 0.00 173.10 174.57 3hq4 s LEU 173 N -1.91 2.28 0.04 0.66 1.43 0.86 -2.18 118.68 119.86 3hq4 s LEU 173 Ca 0.03 -0.65 0.09 0.00 -1.03 0.00 0.00 54.13 52.57 3hq4 s LEU 173 Cb -0.01 -0.86 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 3hq4 s LEU 173 CO -0.04 0.06 -0.25 -0.32 0.23 0.00 0.00 176.35 176.02 3hq4 s MET 174 N -1.78 1.74 -0.08 1.70 -2.45 0.68 -0.82 119.30 118.30 3hq4 s MET 174 Ca 0.06 -1.07 0.04 0.00 -1.25 0.00 0.00 55.69 53.46 3hq4 s MET 174 Cb -0.10 -1.90 0.00 0.00 1.25 0.00 0.00 34.83 34.09 3hq4 s MET 174 CO 0.04 0.49 -0.20 0.99 1.05 0.00 0.00 175.02 177.39 3hq4 s THR 175 N -0.79 1.70 -0.19 10.11 2.01 -0.34 -2.22 115.64 125.92 3hq4 s THR 175 Ca 0.11 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.24 3hq4 s THR 175 Cb -0.10 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 3hq4 s THR 175 CO 0.02 0.48 -0.00 0.28 -0.69 0.00 0.00 174.62 174.71 3hq4 s THR 176 N 0.33 4.00 -0.49 -0.82 -1.32 -0.62 0.06 115.64 116.77 3hq4 s THR 176 Ca -0.14 -0.30 -0.21 0.00 -1.21 0.00 0.00 61.69 59.83 3hq4 s THR 176 Cb -0.16 -2.80 0.04 0.00 -1.51 0.00 0.00 72.50 68.07 3hq4 s THR 176 CO 0.06 0.44 0.72 -0.63 -2.21 0.00 0.00 174.62 173.00 3hq4 s ILE 177 N 0.84 4.72 -0.06 5.08 1.01 0.11 -0.84 121.20 132.07 3hq4 s ILE 177 Ca 0.01 -0.02 0.06 0.00 0.00 0.00 0.00 60.65 60.70 3hq4 s ILE 177 Cb -0.14 -4.33 -0.01 0.00 0.01 0.00 0.00 42.46 37.98 3hq4 s ILE 177 CO 0.02 -0.80 -0.23 -2.28 0.00 0.00 0.00 174.94 171.65 3hq4 s HIS 178 N 3.07 2.49 0.71 3.97 2.46 -0.08 -1.05 115.29 126.87 3hq4 s HIS 178 Ca 0.23 -0.59 -0.16 0.00 0.47 0.00 0.00 55.06 55.01 3hq4 s HIS 178 Cb -0.15 -1.61 0.02 0.00 -0.13 0.00 0.00 32.58 30.71 3hq4 s HIS 178 CO 0.17 -0.13 1.16 0.00 -2.47 0.00 0.00 174.74 173.47 3hq4 n ALA 179 N 2.82 0.37 -1.79 1.58 0.00 -1.23 -1.06 120.51 121.20 3hq4 n ALA 179 Ca -0.17 -0.15 -0.35 0.00 0.00 0.00 0.00 53.44 52.78 3hq4 n ALA 179 Cb 0.52 -2.23 -0.04 0.00 0.00 0.00 0.00 19.45 17.70 3hq4 n ALA 179 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3hq4 s TYR 180 N -1.72 3.08 0.51 0.00 -0.85 -0.97 -4.73 117.35 112.66 3hq4 s TYR 180 Ca 0.77 1.59 0.01 0.00 -0.52 0.00 0.00 57.07 58.93 3hq4 s TYR 180 Cb -0.35 -3.07 -0.01 0.00 0.38 0.00 0.00 41.96 38.91 3hq4 s TYR 180 CO 0.46 -0.75 0.02 0.95 -1.52 0.00 0.00 175.55 174.71 3hq4 s THR 181 N -1.90 0.98 -0.34 -3.49 -4.23 -1.26 -4.75 115.64 100.65 3hq4 s THR 181 Ca 0.65 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.43 3hq4 s THR 181 Cb -0.17 -2.11 0.30 0.00 1.34 0.00 0.00 72.50 71.86 3hq4 s THR 181 CO 0.22 0.00 1.80 1.23 -0.54 0.00 0.00 174.62 177.32 3hq4 h GLY 182 N 1.38 0.00 1.26 3.99 0.00 -1.98 -2.16 103.07 105.55 3hq4 h GLY 182 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3hq4 h GLY 182 CO 0.70 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.33 3hq4 n ASP 183 N -2.54 0.00 -4.90 0.19 5.68 -1.26 -4.79 116.55 108.93 3hq4 n ASP 183 Ca 0.02 -0.54 -0.30 0.00 -0.50 0.00 0.00 54.79 53.46 3hq4 n ASP 183 Cb 0.29 -0.13 -0.04 0.00 -1.14 0.00 0.00 41.12 40.10 3hq4 n ASP 183 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 3hq4 s GLN 184 N -2.26 3.63 0.33 0.11 -0.21 -0.82 -4.93 119.66 115.51 3hq4 s GLN 184 Ca 0.36 -0.06 -0.23 0.00 0.02 0.00 0.00 55.36 55.44 3hq4 s GLN 184 Cb 0.19 -2.79 -0.10 0.00 1.00 0.00 0.00 33.01 31.32 3hq4 s GLN 184 CO 0.37 0.40 0.89 -0.80 -2.12 0.00 0.00 175.29 174.03 3hq4 s ASN 185 N -2.65 7.16 0.09 5.90 0.01 -1.12 -4.90 114.94 119.43 3hq4 s ASN 185 Ca 0.42 1.69 -0.19 0.00 -0.71 0.00 0.00 52.86 54.07 3hq4 s ASN 185 Cb -0.12 -2.53 -0.08 0.00 0.41 0.00 0.00 41.25 38.94 3hq4 s ASN 185 CO 0.26 -0.12 1.54 0.74 -1.51 0.00 0.00 177.10 178.01 3hq4 h THR 186 N 2.45 1.24 -4.05 1.60 2.02 -1.91 -1.10 112.91 113.16 3hq4 h THR 186 Ca -0.47 -0.85 -0.69 0.00 0.77 0.00 0.00 66.41 65.17 3hq4 h THR 186 Cb 1.19 1.31 -0.24 0.00 -1.74 0.00 0.00 68.15 68.67 3hq4 h THR 186 CO 0.64 0.27 -0.87 -1.10 0.37 0.00 0.00 175.52 174.83 3hq4 s GLN 187 N -5.07 1.57 -0.42 6.66 -1.52 -1.26 -3.87 119.66 115.75 3hq4 s GLN 187 Ca -0.14 -1.25 -0.39 0.00 -1.95 0.00 0.00 55.36 51.63 3hq4 s GLN 187 Cb 0.08 -1.94 -0.17 0.00 -0.22 0.00 0.00 33.01 30.76 3hq4 s GLN 187 CO 0.74 0.47 1.33 -0.25 -0.25 0.00 0.00 175.29 177.34 3hq4 n ASP 188 N 1.23 1.01 -3.51 5.90 9.92 -1.25 -4.41 116.55 125.44 3hq4 n ASP 188 Ca -0.18 0.99 -0.09 0.00 -0.53 0.00 0.00 54.79 54.99 3hq4 n ASP 188 Cb 0.53 -0.73 -0.02 0.00 -0.64 0.00 0.00 41.12 40.25 3hq4 n ASP 188 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hq4 s ALA 189 N 2.49 -1.84 0.15 2.24 0.00 -0.68 -4.94 121.76 119.19 3hq4 s ALA 189 Ca 0.88 1.09 -0.34 0.00 0.00 0.00 0.00 51.96 53.58 3hq4 s ALA 189 Cb -1.25 0.30 -0.15 0.00 0.00 0.00 0.00 23.12 22.02 3hq4 s ALA 189 CO 0.68 -0.65 1.35 -2.30 0.00 0.00 0.00 175.76 174.84 3hq4 n PRO 190 N -0.15 1.53 -3.80 0.00 -0.02 -1.26 -4.59 135.00 126.71 3hq4 n PRO 190 Ca -0.09 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.59 3hq4 n PRO 190 Cb 0.61 -2.18 -0.08 0.00 -0.02 0.00 0.00 33.50 31.84 3hq4 n PRO 190 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3hq4 s HIS 191 N 0.28 3.42 0.24 6.00 2.46 -1.26 -4.98 115.29 121.44 3hq4 s HIS 191 Ca 0.77 0.34 -0.07 0.00 0.47 0.00 0.00 55.06 56.56 3hq4 s HIS 191 Cb -0.81 -2.11 0.23 0.00 -0.13 0.00 0.00 32.58 29.76 3hq4 s HIS 191 CO 0.47 0.36 1.91 -0.09 -2.47 0.00 0.00 174.74 174.92 3hq4 h ARG 192 N 6.35 1.23 -0.00 2.88 2.43 -1.93 0.14 114.38 125.48 3hq4 h ARG 192 Ca -0.43 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.66 3hq4 h ARG 192 Cb 1.17 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.44 3hq4 h ARG 192 CO 0.72 0.82 0.00 1.63 -1.51 0.00 0.00 179.97 181.63 3hq4 n LYS 193 N -4.43 1.06 -0.96 0.20 5.02 -1.26 -4.92 118.16 112.88 3hq4 n LYS 193 Ca 0.10 -0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3hq4 n LYS 193 Cb 0.02 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3hq4 n LYS 193 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hq4 n GLY 194 N 1.01 0.52 3.60 0.72 0.00 0.49 -5.01 105.19 106.52 3hq4 n GLY 194 Ca 0.23 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 3hq4 n GLY 194 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hq4 s ASP 195 N -2.01 6.65 0.05 1.61 -1.08 -1.26 -4.90 116.67 115.74 3hq4 s ASP 195 Ca 0.00 0.50 0.06 0.00 -0.52 0.00 0.00 52.55 52.59 3hq4 s ASP 195 Cb 0.00 -2.54 0.30 0.00 -1.46 0.00 0.00 42.92 39.22 3hq4 s ASP 195 CO 0.00 -1.21 1.20 0.29 0.52 0.00 0.00 175.17 175.97 3hq4 n LYS 196 N 7.71 0.03 -0.11 4.34 5.02 -1.26 -1.25 118.16 132.64 3hq4 n LYS 196 Ca 0.12 0.47 -0.19 0.00 -2.02 0.00 0.00 58.31 56.68 3hq4 n LYS 196 Cb 0.49 -1.58 -0.09 0.00 -0.02 0.00 0.00 35.03 33.83 3hq4 n LYS 196 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hq4 n ARG 197 N -1.63 0.50 0.07 1.97 1.74 -1.26 -3.99 116.66 114.06 3hq4 n ARG 197 Ca 0.01 0.17 0.07 0.00 -0.77 0.00 0.00 57.85 57.32 3hq4 n ARG 197 Cb 0.04 -1.35 0.34 0.00 -1.02 0.00 0.00 32.46 30.47 3hq4 n ARG 197 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hq4 n ARG 198 N -3.57 0.08 0.28 5.56 1.74 -1.19 -1.73 116.66 117.83 3hq4 n ARG 198 Ca -0.41 0.45 0.14 0.00 -0.77 0.00 0.00 57.85 57.26 3hq4 n ARG 198 Cb 0.85 -1.70 0.81 0.00 -1.02 0.00 0.00 32.46 31.41 3hq4 n ARG 198 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hq4 h ALA 199 N 2.19 1.42 -2.46 7.54 0.00 -1.30 -2.97 119.26 123.68 3hq4 h ALA 199 Ca 0.00 -0.06 -0.52 0.00 0.00 0.00 0.00 54.91 54.33 3hq4 h ALA 199 Cb 0.15 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3hq4 h ALA 199 CO 0.00 0.08 -0.05 1.03 0.00 0.00 0.00 179.25 180.31 3hq4 s ARG 200 N -4.43 3.86 -0.63 0.00 1.81 -0.70 -1.68 118.95 117.17 3hq4 s ARG 200 Ca -0.04 0.39 -0.40 0.00 -1.72 0.00 0.00 55.73 53.96 3hq4 s ARG 200 Cb 0.14 -2.58 -0.20 0.00 -0.45 0.00 0.00 34.95 31.86 3hq4 s ARG 200 CO 0.57 0.27 2.28 0.00 -0.68 0.00 0.00 175.30 177.74 3hq4 n ALA 201 N -0.21 0.24 -0.27 2.13 0.00 -1.26 -4.15 120.51 116.98 3hq4 n ALA 201 Ca 0.01 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.58 3hq4 n ALA 201 Cb 0.53 -2.12 0.21 0.00 0.00 0.00 0.00 19.45 18.06 3hq4 n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hq4 h ALA 202 N 9.75 1.17 -0.59 0.00 0.00 -1.30 -3.06 119.26 125.22 3hq4 h ALA 202 Ca -0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hq4 h ALA 202 Cb 1.38 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3hq4 h ALA 202 CO 1.16 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 180.25 3hq4 n ALA 203 N -2.47 2.92 -0.58 0.00 0.00 -1.26 -4.06 120.51 115.06 3hq4 n ALA 203 Ca 0.16 -1.34 0.00 0.00 0.00 0.00 0.00 53.44 52.26 3hq4 n ALA 203 Cb 0.43 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.87 3hq4 n ALA 203 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hq4 n GLU 204 N 1.05 1.29 -3.85 0.00 -0.58 -1.16 -4.75 120.64 112.64 3hq4 n GLU 204 Ca 0.23 -0.94 -0.11 0.00 -0.42 0.00 0.00 57.16 55.91 3hq4 n GLU 204 Cb 0.75 -0.72 -0.09 0.00 -0.57 0.00 0.00 31.44 30.81 3hq4 n GLU 204 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3hq4 s ASN 205 N -0.44 0.00 -0.26 1.62 -0.87 -1.24 -5.06 114.94 108.68 3hq4 s ASN 205 Ca 0.00 -0.21 -0.20 0.00 -1.57 0.00 0.00 52.86 50.88 3hq4 s ASN 205 Cb 0.00 0.24 -0.02 0.00 -0.02 0.00 0.00 41.25 41.45 3hq4 s ASN 205 CO 0.00 -0.43 0.62 -0.63 -2.57 0.00 0.00 177.10 174.09 3hq4 s ILE 206 N -1.68 4.98 -0.25 0.60 1.01 -1.26 -4.09 121.20 120.52 3hq4 s ILE 206 Ca -0.12 1.06 0.02 0.00 0.00 0.00 0.00 60.65 61.61 3hq4 s ILE 206 Cb -0.06 -3.93 0.05 0.00 0.01 0.00 0.00 42.46 38.53 3hq4 s ILE 206 CO 0.01 0.01 -0.11 -0.63 0.00 0.00 0.00 174.94 174.21 3hq4 s ILE 207 N 2.50 2.31 0.45 2.92 1.01 -0.17 -4.94 121.20 125.28 3hq4 s ILE 207 Ca 0.25 -1.40 -0.24 0.00 0.00 0.00 0.00 60.65 59.26 3hq4 s ILE 207 Cb -0.15 -2.26 -0.08 0.00 0.01 0.00 0.00 42.46 39.98 3hq4 s ILE 207 CO 0.09 0.10 1.30 -2.84 0.00 0.00 0.00 174.94 173.60 3hq4 s PRO 208 N 1.18 3.72 0.08 2.79 0.02 -1.26 0.89 135.00 142.42 3hq4 s PRO 208 Ca -0.05 2.14 -0.23 0.00 0.02 0.00 0.00 61.00 62.88 3hq4 s PRO 208 Cb -0.18 -2.57 0.06 0.00 0.02 0.00 0.00 34.50 31.82 3hq4 s PRO 208 CO -0.06 -0.69 0.55 1.21 -0.33 0.00 0.00 177.00 177.68 3hq4 s ASN 209 N -0.87 -0.48 0.55 2.53 2.47 0.13 -4.82 114.94 114.44 3hq4 s ASN 209 Ca 0.62 0.13 -0.16 0.00 0.42 0.00 0.00 52.86 53.86 3hq4 s ASN 209 Cb -0.38 0.53 -0.06 0.00 -1.45 0.00 0.00 41.25 39.89 3hq4 s ASN 209 CO 0.47 -0.80 1.02 -0.94 -3.72 0.00 0.00 177.10 173.13 3hq4 s SER 210 N -2.22 6.26 -0.10 -4.21 1.04 -1.26 -0.45 113.70 112.76 3hq4 s SER 210 Ca -0.03 1.68 -0.15 0.00 0.48 0.00 0.00 55.95 57.93 3hq4 s SER 210 Cb -0.00 -2.52 0.03 0.00 0.10 0.00 0.00 66.02 63.63 3hq4 s SER 210 CO -0.05 -0.84 0.38 0.28 0.98 0.00 0.00 173.24 173.99 3hq4 s THR 211 N -2.54 0.02 -2.19 2.02 -1.32 -1.26 -4.70 115.64 105.67 3hq4 s THR 211 Ca 0.61 -0.16 0.23 0.00 -1.21 0.00 0.00 61.69 61.16 3hq4 s THR 211 Cb -0.13 -0.59 0.56 0.00 -1.51 0.00 0.00 72.50 70.83 3hq4 s THR 211 CO 0.34 -0.09 1.49 0.61 -2.21 0.00 0.00 174.62 174.75 3hq4 n GLY 212 N 2.25 2.11 0.19 6.08 0.00 -1.26 -4.55 105.19 110.02 3hq4 n GLY 212 Ca -0.16 -0.76 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 3hq4 n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hq4 h ALA 213 N 4.40 0.04 0.04 4.61 0.00 -1.94 0.62 119.26 127.03 3hq4 h ALA 213 Ca 0.00 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hq4 h ALA 213 Cb 0.97 0.33 0.01 0.00 0.00 0.00 0.00 17.79 19.10 3hq4 h ALA 213 CO 0.00 -0.56 -0.35 0.00 0.00 0.00 0.00 179.25 178.35 3hq4 h ALA 214 N 1.05 -0.01 -0.81 0.00 0.00 -1.89 -2.87 119.26 114.72 3hq4 h ALA 214 Ca 0.13 -0.54 0.12 0.00 0.00 0.00 0.00 54.91 54.62 3hq4 h ALA 214 Cb 0.32 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 3hq4 h ALA 214 CO -0.32 0.15 0.41 -0.22 0.00 0.00 0.00 179.25 179.28 3hq4 h LYS 215 N -0.60 0.62 -0.56 0.00 1.63 -1.56 -2.30 116.57 113.79 3hq4 h LYS 215 Ca -0.05 -0.04 -0.07 0.00 -0.85 0.00 0.00 60.65 59.63 3hq4 h LYS 215 Cb 1.19 -0.14 -0.04 0.00 -0.60 0.00 0.00 32.23 32.64 3hq4 h LYS 215 CO 0.07 0.41 0.08 0.00 -3.45 0.00 0.00 179.45 176.56 3hq4 n ALA 216 N -2.42 3.97 0.26 5.00 0.00 0.21 -4.53 120.51 123.00 3hq4 n ALA 216 Ca 0.15 -2.17 0.14 0.00 0.00 0.00 0.00 53.44 51.56 3hq4 n ALA 216 Cb 0.37 -1.08 0.83 0.00 0.00 0.00 0.00 19.45 19.57 3hq4 n ALA 216 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 3hq4 h ILE 217 N 3.09 0.62 -0.21 0.00 6.09 -1.17 -2.38 117.51 123.54 3hq4 h ILE 217 Ca 0.09 0.00 0.05 0.00 -1.37 0.00 0.00 64.86 63.63 3hq4 h ILE 217 Cb 1.99 0.95 -0.01 0.00 0.47 0.00 0.00 36.82 40.23 3hq4 h ILE 217 CO 0.52 0.00 0.15 1.23 -3.07 0.00 0.00 178.15 176.98 3hq4 h GLY 218 N 0.00 0.05 1.99 8.18 0.00 -1.80 0.30 103.07 111.79 3hq4 h GLY 218 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3hq4 h GLY 218 CO -0.00 0.01 0.00 0.50 0.00 0.00 0.00 176.54 177.06 3hq4 h LYS 219 N 0.04 0.00 0.00 4.80 1.57 -1.79 -2.36 116.57 118.83 3hq4 h LYS 219 Ca 0.10 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.56 3hq4 h LYS 219 Cb 0.34 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 3hq4 h LYS 219 CO -0.01 0.00 -2.19 0.28 -0.57 0.00 0.00 179.45 176.96 3hq4 n VAL 220 N -4.11 1.20 -3.77 0.50 0.31 0.27 -4.61 118.33 108.11 3hq4 n VAL 220 Ca -0.03 -0.45 -0.28 0.00 -0.01 0.00 0.00 64.34 63.56 3hq4 n VAL 220 Cb 0.09 -1.26 -0.12 0.00 -0.91 0.00 0.00 33.84 31.64 3hq4 n VAL 220 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3hq4 s ILE 221 N -2.42 2.07 0.53 2.52 1.01 0.79 -4.73 121.20 120.97 3hq4 s ILE 221 Ca -0.28 -3.51 0.25 0.00 0.00 0.00 0.00 60.65 57.11 3hq4 s ILE 221 Cb 0.07 -2.39 0.40 0.00 0.01 0.00 0.00 42.46 40.55 3hq4 s ILE 221 CO 0.48 -1.00 1.98 -0.65 0.00 0.00 0.00 174.94 175.75 3hq4 h PRO 222 N 5.84 0.02 0.00 2.79 0.11 -1.67 -1.66 132.00 137.44 3hq4 h PRO 222 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3hq4 h PRO 222 Cb 0.83 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3hq4 h PRO 222 CO 0.60 0.01 0.00 -0.85 -0.21 0.00 0.00 178.00 177.56 3hq4 n GLU 223 N -4.37 0.02 -0.37 1.05 0.00 -1.26 -1.89 120.64 113.81 3hq4 n GLU 223 Ca 0.11 0.24 0.07 0.00 0.00 0.00 0.00 57.16 57.58 3hq4 n GLU 223 Cb 0.64 -1.54 0.20 0.00 0.00 0.00 0.00 31.44 30.74 3hq4 n GLU 223 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 3hq4 n ILE 224 N -1.57 2.17 -1.65 3.84 -5.35 -0.63 -5.05 119.36 111.12 3hq4 n ILE 224 Ca 0.04 -2.31 -0.53 0.00 -0.27 0.00 0.00 62.75 59.68 3hq4 n ILE 224 Cb 0.19 -0.26 -0.06 0.00 -1.74 0.00 0.00 39.64 37.78 3hq4 n ILE 224 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3hq4 n ASP 225 N -1.04 2.21 -0.03 7.28 2.03 -0.79 -1.21 116.55 125.01 3hq4 n ASP 225 Ca 0.21 1.09 -0.00 0.00 0.52 0.00 0.00 54.79 56.60 3hq4 n ASP 225 Cb 0.79 -1.22 -0.00 0.00 -0.72 0.00 0.00 41.12 39.98 3hq4 n ASP 225 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hq4 n GLY 226 N 3.35 0.41 0.01 0.27 0.00 -1.26 -4.90 105.19 103.07 3hq4 n GLY 226 Ca 0.21 -0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3hq4 n GLY 226 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hq4 n LYS 227 N -2.17 0.15 -4.33 1.61 5.02 -0.35 -4.95 118.16 113.14 3hq4 n LYS 227 Ca -0.00 -0.01 -0.23 0.00 -2.02 0.00 0.00 58.31 56.04 3hq4 n LYS 227 Cb 0.11 -1.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.46 3hq4 n LYS 227 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hq4 s LEU 228 N -3.46 2.38 0.34 -0.35 1.43 -1.26 -1.17 118.68 116.59 3hq4 s LEU 228 Ca 0.06 -0.79 -0.08 0.00 -1.03 0.00 0.00 54.13 52.30 3hq4 s LEU 228 Cb 0.16 -0.90 0.02 0.00 0.03 0.00 0.00 46.19 45.49 3hq4 s LEU 228 CO 0.80 0.03 0.57 -0.62 0.23 0.00 0.00 176.35 177.36 3hq4 s ASP 229 N -2.33 0.49 0.00 2.29 2.15 -0.92 -3.81 116.67 114.53 3hq4 s ASP 229 Ca 0.12 -1.29 0.00 0.00 0.43 0.00 0.00 52.55 51.81 3hq4 s ASP 229 Cb -0.08 0.71 0.00 0.00 -0.30 0.00 0.00 42.92 43.25 3hq4 s ASP 229 CO 0.06 -1.40 0.00 0.61 -0.17 0.00 0.00 175.17 174.27 3hq4 n GLY 230 N -0.53 -1.17 0.00 2.66 0.00 -1.26 -0.23 105.19 104.66 3hq4 n GLY 230 Ca -0.02 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.62 3hq4 n GLY 230 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hq4 n GLY 231 N -0.24 3.51 3.20 -0.02 0.00 -0.94 -4.45 105.19 106.25 3hq4 n GLY 231 Ca 0.00 -1.20 -0.16 0.00 0.00 0.00 0.00 46.02 44.66 3hq4 n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hq4 s ALA 232 N -1.48 1.29 -0.22 4.61 0.00 0.41 -1.59 121.76 124.78 3hq4 s ALA 232 Ca 0.00 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.77 3hq4 s ALA 232 Cb 0.00 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.13 3hq4 s ALA 232 CO 0.00 0.05 -0.14 -0.65 0.00 0.00 0.00 175.76 175.02 3hq4 s GLN 233 N -2.60 2.44 -0.14 0.00 -1.52 -0.02 -0.70 119.66 117.12 3hq4 s GLN 233 Ca 0.06 -1.05 -0.26 0.00 -1.95 0.00 0.00 55.36 52.16 3hq4 s GLN 233 Cb -0.05 -2.67 -0.02 0.00 -0.22 0.00 0.00 33.01 30.06 3hq4 s GLN 233 CO 0.02 -0.42 0.86 1.03 -0.25 0.00 0.00 175.29 176.53 3hq4 s ARG 234 N 1.24 4.34 0.25 2.91 1.81 0.26 -0.90 118.95 128.86 3hq4 s ARG 234 Ca -0.02 1.10 0.09 0.00 -1.72 0.00 0.00 55.73 55.17 3hq4 s ARG 234 Cb -0.17 -3.55 -0.05 0.00 -0.45 0.00 0.00 34.95 30.73 3hq4 s ARG 234 CO -0.08 -0.28 -0.15 0.14 -0.68 0.00 0.00 175.30 174.24 3hq4 s VAL 235 N 1.98 2.01 -0.83 3.52 -7.23 -0.22 -1.00 120.40 118.63 3hq4 s VAL 235 Ca 0.41 -2.27 -0.07 0.00 -1.81 0.00 0.00 61.98 58.24 3hq4 s VAL 235 Cb -0.17 -2.22 -0.11 0.00 0.56 0.00 0.00 36.38 34.44 3hq4 s VAL 235 CO 0.14 -0.47 2.60 -2.65 -0.31 0.00 0.00 175.10 174.42 3hq4 n PRO 236 N -0.51 2.37 -4.36 4.82 -0.02 -1.26 -3.06 135.00 132.99 3hq4 n PRO 236 Ca -0.06 -1.45 -0.30 0.00 -2.02 0.00 0.00 63.50 59.67 3hq4 n PRO 236 Cb 0.61 -2.37 -0.12 0.00 -0.02 0.00 0.00 33.50 31.61 3hq4 n PRO 236 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hq4 s VAL 237 N 2.42 2.84 -0.15 -1.45 -7.23 -1.26 -5.03 120.40 110.55 3hq4 s VAL 237 Ca 0.52 -1.45 0.16 0.00 -1.81 0.00 0.00 61.98 59.40 3hq4 s VAL 237 Cb 0.17 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.82 3hq4 s VAL 237 CO -0.03 0.14 1.24 0.00 -0.31 0.00 0.00 175.10 176.14 3hq4 h ALA 238 N 3.86 0.66 -2.94 1.32 0.00 -1.88 -2.57 119.26 117.72 3hq4 h ALA 238 Ca -0.49 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 53.83 3hq4 h ALA 238 Cb 1.17 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 3hq4 h ALA 238 CO 0.46 0.69 0.18 -0.08 0.00 0.00 0.00 179.25 180.50 3hq4 s THR 239 N -2.96 0.01 0.00 0.00 -1.32 -1.26 -4.59 115.64 105.51 3hq4 s THR 239 Ca 0.02 -0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.43 3hq4 s THR 239 Cb 0.08 -1.02 0.00 0.00 -1.51 0.00 0.00 72.50 70.05 3hq4 s THR 239 CO 0.77 -0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.75 3hq4 n GLY 240 N -0.31 2.05 3.33 6.08 0.00 -1.26 -4.81 105.19 110.27 3hq4 n GLY 240 Ca -0.17 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 3hq4 n GLY 240 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hq4 s SER 241 N 0.00 -0.12 -0.03 1.61 0.01 -0.55 -3.48 113.70 111.15 3hq4 s SER 241 Ca 0.00 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.77 3hq4 s SER 241 Cb 0.00 0.46 0.01 0.00 0.21 0.00 0.00 66.02 66.70 3hq4 s SER 241 CO 0.00 -0.87 -0.04 -0.22 0.41 0.00 0.00 173.24 172.52 3hq4 s LEU 242 N -2.85 1.54 -0.24 2.44 2.96 -0.22 -1.18 118.68 121.13 3hq4 s LEU 242 Ca 0.07 -0.10 -0.06 0.00 -0.22 0.00 0.00 54.13 53.82 3hq4 s LEU 242 Cb 0.02 -0.34 -0.03 0.00 0.50 0.00 0.00 46.19 46.35 3hq4 s LEU 242 CO -0.08 -0.02 0.04 -0.89 -1.32 0.00 0.00 176.35 174.08 3hq4 s THR 243 N 0.56 4.14 -0.15 3.68 2.01 0.29 0.09 115.64 126.26 3hq4 s THR 243 Ca -0.07 -0.23 -0.04 0.00 0.31 0.00 0.00 61.69 61.66 3hq4 s THR 243 Cb -0.10 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 3hq4 s THR 243 CO -0.00 0.37 -0.00 -1.61 -0.69 0.00 0.00 174.62 172.68 3hq4 s GLU 244 N 1.46 3.61 -0.08 4.92 2.02 0.11 -1.13 118.70 129.62 3hq4 s GLU 244 Ca 0.05 -0.45 0.02 0.00 0.02 0.00 0.00 54.97 54.61 3hq4 s GLU 244 Cb -0.15 -2.97 0.02 0.00 0.10 0.00 0.00 34.13 31.13 3hq4 s GLU 244 CO 0.02 0.35 -0.11 -1.17 0.02 0.00 0.00 175.26 174.37 3hq4 s LEU 245 N 0.10 1.53 -0.15 1.80 2.96 0.33 -1.20 118.68 124.04 3hq4 s LEU 245 Ca 0.01 -0.30 -0.00 0.00 -0.22 0.00 0.00 54.13 53.62 3hq4 s LEU 245 Cb -0.13 -0.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.73 3hq4 s LEU 245 CO 0.02 -0.01 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.02 3hq4 s THR 246 N 0.93 2.94 0.06 3.68 2.01 0.00 -1.35 115.64 123.91 3hq4 s THR 246 Ca -0.10 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.22 3hq4 s THR 246 Cb -0.15 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 3hq4 s THR 246 CO 0.01 0.51 -0.05 0.68 -0.69 0.00 0.00 174.62 175.08 3hq4 s VAL 247 N 0.66 0.40 -0.08 3.82 -7.23 -0.19 -0.10 120.40 117.68 3hq4 s VAL 247 Ca -0.07 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 3hq4 s VAL 247 Cb -0.15 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.50 3hq4 s VAL 247 CO 0.02 -0.80 -0.08 -0.69 -0.31 0.00 0.00 175.10 173.25 3hq4 s VAL 248 N -3.10 3.61 0.12 1.32 1.01 -0.25 -1.22 120.40 121.91 3hq4 s VAL 248 Ca 0.03 -0.50 0.09 0.00 0.00 0.00 0.00 61.98 61.60 3hq4 s VAL 248 Cb 0.02 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 3hq4 s VAL 248 CO -0.05 0.58 -0.23 -0.76 0.00 0.00 0.00 175.10 174.64 3hq4 s LEU 249 N -0.55 2.33 0.07 3.92 1.43 -1.26 -1.25 118.68 123.37 3hq4 s LEU 249 Ca 0.08 -0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 52.27 3hq4 s LEU 249 Cb -0.12 -1.00 -0.10 0.00 0.03 0.00 0.00 46.19 45.00 3hq4 s LEU 249 CO 0.02 0.09 1.41 -0.33 0.23 0.00 0.00 176.35 177.77 3hq4 h GLU 250 N 3.87 0.51 -6.53 1.70 4.39 0.09 -3.44 114.58 115.17 3hq4 h GLU 250 Ca -0.47 -0.24 -0.58 0.00 0.34 0.00 0.00 59.36 58.40 3hq4 h GLU 250 Cb 1.18 -0.01 0.06 0.00 -0.10 0.00 0.00 28.75 29.89 3hq4 h GLU 250 CO 0.41 0.80 0.74 1.17 -1.16 0.00 0.00 179.01 180.97 3hq4 n LYS 251 N -4.47 2.10 -0.04 2.33 4.81 0.13 -4.93 118.16 118.09 3hq4 n LYS 251 Ca -0.05 0.75 -0.12 0.00 -0.87 0.00 0.00 58.31 58.03 3hq4 n LYS 251 Cb 0.37 -2.49 -0.14 0.00 0.02 0.00 0.00 35.03 32.79 3hq4 n LYS 251 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 3hq4 n GLN 252 N 3.01 0.67 -2.94 1.64 1.13 -1.26 -4.57 117.38 115.05 3hq4 n GLN 252 Ca 0.15 0.23 -0.26 0.00 -1.94 0.00 0.00 57.00 55.17 3hq4 n GLN 252 Cb 0.29 -1.71 -0.04 0.00 0.11 0.00 0.00 30.24 28.90 3hq4 n GLN 252 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3hq4 n ASP 253 N -3.10 4.29 -4.77 1.08 5.75 -1.26 -4.94 116.55 113.60 3hq4 n ASP 253 Ca -0.25 -3.65 -0.39 0.00 -0.01 0.00 0.00 54.79 50.49 3hq4 n ASP 253 Cb 1.07 -0.56 -0.00 0.00 -1.03 0.00 0.00 41.12 40.59 3hq4 n ASP 253 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hq4 s VAL 254 N -4.38 2.60 0.24 2.12 1.01 -1.26 -5.05 120.40 115.67 3hq4 s VAL 254 Ca 0.48 0.52 0.10 0.00 0.00 0.00 0.00 61.98 63.08 3hq4 s VAL 254 Cb 0.29 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 3hq4 s VAL 254 CO -0.14 0.06 -0.17 0.42 0.00 0.00 0.00 175.10 175.27 3hq4 s THR 255 N -1.29 2.12 0.22 3.92 -4.23 -1.26 -5.01 115.64 110.11 3hq4 s THR 255 Ca 0.59 -2.30 -0.09 0.00 -1.18 0.00 0.00 61.69 58.71 3hq4 s THR 255 Cb -0.38 -2.17 0.18 0.00 1.34 0.00 0.00 72.50 71.47 3hq4 s THR 255 CO 0.48 -0.48 1.70 0.58 -0.54 0.00 0.00 174.62 176.35 3hq4 h VAL 256 N 2.44 0.62 -0.40 2.29 2.07 -1.94 -2.39 116.25 118.94 3hq4 h VAL 256 Ca -0.39 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.04 3hq4 h VAL 256 Cb 1.24 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3hq4 h VAL 256 CO 0.61 0.05 0.26 -0.33 0.02 0.00 0.00 177.57 178.17 3hq4 h GLU 257 N 0.26 0.51 -0.64 1.57 3.07 -1.98 0.67 114.58 118.04 3hq4 h GLU 257 Ca 0.33 -0.03 0.06 0.00 -0.50 0.00 0.00 59.36 59.23 3hq4 h GLU 257 Cb 0.51 -0.11 -0.06 0.00 -0.84 0.00 0.00 28.75 28.25 3hq4 h GLU 257 CO -0.42 0.34 0.34 1.96 -1.40 0.00 0.00 179.01 179.82 3hq4 h GLN 258 N 0.52 0.61 -0.11 2.33 4.20 -1.87 -0.22 115.11 120.57 3hq4 h GLN 258 Ca 0.15 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 3hq4 h GLN 258 Cb -0.04 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 27.60 3hq4 h GLN 258 CO -0.04 0.40 -0.02 0.28 -0.67 0.00 0.00 178.83 178.78 3hq4 h VAL 259 N 0.63 1.28 -0.86 -0.54 2.07 -1.01 -1.76 116.25 116.05 3hq4 h VAL 259 Ca 0.29 -0.90 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 3hq4 h VAL 259 Cb 0.21 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3hq4 h VAL 259 CO -0.20 0.26 0.43 0.78 0.02 0.00 0.00 177.57 178.86 3hq4 h ASN 260 N -0.09 1.11 -0.23 0.57 2.35 -0.73 -2.42 115.58 116.15 3hq4 h ASN 260 Ca 0.03 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.55 3hq4 h ASN 260 Cb 0.41 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3hq4 h ASN 260 CO 0.01 0.93 -0.27 -0.08 -1.65 0.00 0.00 177.43 176.37 3hq4 h GLU 261 N 1.22 0.59 -0.79 0.81 4.81 -0.96 -1.66 114.58 118.59 3hq4 h GLU 261 Ca 0.30 -0.32 0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3hq4 h GLU 261 Cb 0.10 0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 3hq4 h GLU 261 CO -0.04 0.92 0.52 0.00 -0.73 0.00 0.00 179.01 179.68 3hq4 h ALA 262 N 0.66 1.77 0.06 2.92 0.00 -1.15 -0.78 119.26 122.74 3hq4 h ALA 262 Ca 0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hq4 h ALA 262 Cb 0.83 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3hq4 h ALA 262 CO 0.06 0.06 -0.03 0.52 0.00 0.00 0.00 179.25 179.87 3hq4 h MET 263 N 0.72 -0.07 -0.82 0.00 2.86 -1.10 -2.94 114.93 113.57 3hq4 h MET 263 Ca 0.37 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 58.20 3hq4 h MET 263 Cb 0.46 0.02 -0.12 0.00 0.06 0.00 0.00 31.60 32.02 3hq4 h MET 263 CO -0.14 0.51 0.28 -0.22 1.06 0.00 0.00 176.91 178.40 3hq4 h LYS 264 N -0.74 0.32 0.00 1.72 3.64 -1.17 -0.57 116.57 119.77 3hq4 h LYS 264 Ca -0.01 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3hq4 h LYS 264 Cb 0.62 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3hq4 h LYS 264 CO 0.01 0.21 -0.02 -0.91 -2.27 0.00 0.00 179.45 176.47 3hq4 h ASN 265 N 0.33 0.00 -0.04 4.20 -0.26 -1.06 -1.94 115.58 116.81 3hq4 h ASN 265 Ca 0.49 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.23 3hq4 h ASN 265 Cb 0.89 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.15 3hq4 h ASN 265 CO -0.53 0.02 0.00 0.00 -1.06 0.00 0.00 177.43 175.86 3hq4 n ALA 266 N -2.13 2.53 -1.77 -0.83 0.00 -0.24 -4.99 120.51 113.08 3hq4 n ALA 266 Ca -0.02 -0.54 -0.37 0.00 0.00 0.00 0.00 53.44 52.51 3hq4 n ALA 266 Cb 0.17 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3hq4 n ALA 266 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hq4 s SER 267 N -1.96 5.98 0.00 0.00 1.04 -0.73 -4.84 113.70 113.19 3hq4 s SER 267 Ca 0.35 2.38 0.00 0.00 0.48 0.00 0.00 55.95 59.16 3hq4 s SER 267 Cb 0.21 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3hq4 s SER 267 CO 0.32 -1.05 0.00 -0.46 0.98 0.00 0.00 173.24 173.03 3hq4 n ASN 268 N -0.63 0.00 0.22 7.02 0.23 -0.64 -4.96 115.26 116.50 3hq4 n ASN 268 Ca 0.08 -0.53 0.15 0.00 -0.53 0.00 0.00 54.58 53.75 3hq4 n ASN 268 Cb 0.48 0.00 0.61 0.00 -2.08 0.00 0.00 39.78 38.78 3hq4 n ASN 268 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 3hq4 h GLU 269 N 0.00 0.00 0.02 -3.83 4.11 -1.98 -2.91 114.58 109.99 3hq4 h GLU 269 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.11 3hq4 h GLU 269 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3hq4 h GLU 269 CO 0.00 0.00 -1.85 0.43 0.07 0.00 0.00 179.01 177.66 3hq4 n SER 270 N -2.75 1.06 -3.98 3.06 7.64 -1.26 -4.28 113.62 113.12 3hq4 n SER 270 Ca 0.01 0.32 -0.31 0.00 1.01 0.00 0.00 58.87 59.91 3hq4 n SER 270 Cb 0.28 -0.13 -0.15 0.00 -1.01 0.00 0.00 64.21 63.20 3hq4 n SER 270 CO 0.00 0.00 0.00 0.12 -3.01 0.00 0.00 175.04 172.15 3hq4 s PHE 271 N -2.58 3.46 0.78 1.43 5.36 -1.10 0.01 117.98 125.34 3hq4 s PHE 271 Ca -0.09 -2.86 -0.11 0.00 -0.96 0.00 0.00 56.93 52.91 3hq4 s PHE 271 Cb 0.08 -2.76 0.07 0.00 -0.34 0.00 0.00 43.02 40.07 3hq4 s PHE 271 CO 0.81 -0.93 1.14 0.20 -1.46 0.00 0.00 175.22 174.99 3hq4 s GLY 272 N 0.91 1.61 -0.05 13.12 0.00 0.63 -1.62 107.32 121.93 3hq4 s GLY 272 Ca 0.11 -0.68 -0.03 0.00 0.00 0.00 0.00 44.72 44.13 3hq4 s GLY 272 CO -0.10 -0.21 0.12 -0.47 0.00 0.00 0.00 173.10 172.44 3hq4 s TYR 273 N -3.50 -0.12 0.04 1.90 5.04 -1.26 -0.59 117.35 118.86 3hq4 s TYR 273 Ca 0.61 0.39 0.02 0.00 -2.44 0.00 0.00 57.07 55.64 3hq4 s TYR 273 Cb -0.11 -0.08 -0.03 0.00 0.35 0.00 0.00 41.96 42.10 3hq4 s TYR 273 CO 0.48 -0.13 -0.06 -0.08 -1.34 0.00 0.00 175.55 174.42 3hq4 s THR 274 N 0.91 0.45 -0.44 4.34 -1.32 0.14 -4.93 115.64 114.80 3hq4 s THR 274 Ca -0.07 -1.16 0.05 0.00 -1.21 0.00 0.00 61.69 59.29 3hq4 s THR 274 Cb -0.09 -0.69 0.11 0.00 -1.51 0.00 0.00 72.50 70.32 3hq4 s THR 274 CO -0.04 -0.48 1.01 -0.62 -2.21 0.00 0.00 174.62 172.27 3hq4 n GLU 275 N 1.28 2.23 -3.33 7.08 1.02 -1.26 -1.28 120.64 126.37 3hq4 n GLU 275 Ca -0.22 -1.53 -0.32 0.00 -0.02 0.00 0.00 57.16 55.08 3hq4 n GLU 275 Cb 0.56 -1.11 -0.05 0.00 -0.02 0.00 0.00 31.44 30.81 3hq4 n GLU 275 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hq4 s ASP 276 N -0.87 6.65 -1.47 1.62 1.01 -1.26 -4.71 116.67 117.65 3hq4 s ASP 276 Ca 0.09 1.00 -0.10 0.00 0.71 0.00 0.00 52.55 54.25 3hq4 s ASP 276 Cb 0.05 -2.26 0.03 0.00 1.01 0.00 0.00 42.92 41.75 3hq4 s ASP 276 CO 0.07 -0.12 2.47 -0.62 0.21 0.00 0.00 175.17 177.17 3hq4 n GLU 277 N -0.25 3.57 -1.67 8.23 1.02 -1.26 -4.84 120.64 125.45 3hq4 n GLU 277 Ca 0.01 -2.75 -0.30 0.00 -0.02 0.00 0.00 57.16 54.10 3hq4 n GLU 277 Cb 0.53 -2.95 0.07 0.00 -0.02 0.00 0.00 31.44 29.07 3hq4 n GLU 277 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3hq4 s ILE 278 N 1.65 3.27 0.45 -3.67 -4.36 -1.26 -5.12 121.20 112.15 3hq4 s ILE 278 Ca 0.55 0.41 0.03 0.00 -0.26 0.00 0.00 60.65 61.38 3hq4 s ILE 278 Cb 0.15 -3.24 -0.02 0.00 1.25 0.00 0.00 42.46 40.60 3hq4 s ILE 278 CO -0.06 -0.54 0.08 0.68 0.24 0.00 0.00 174.94 175.34 3hq4 s VAL 279 N -3.22 0.81 0.28 8.37 -7.23 -1.26 -5.05 120.40 113.10 3hq4 s VAL 279 Ca 0.60 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.75 3hq4 s VAL 279 Cb -0.13 -2.27 0.18 0.00 0.56 0.00 0.00 36.38 34.71 3hq4 s VAL 279 CO 0.53 0.00 1.85 0.77 -0.31 0.00 0.00 175.10 177.95 3hq4 h SER 280 N 1.61 0.83 0.09 4.85 4.64 -1.96 -1.56 113.55 122.05 3hq4 h SER 280 Ca -0.38 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3hq4 h SER 280 Cb 1.29 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 63.17 3hq4 h SER 280 CO 0.63 0.76 -0.01 0.77 -0.87 0.00 0.00 176.83 178.10 3hq4 h SER 281 N 0.89 0.00 0.59 4.97 4.64 -1.95 -2.22 113.55 120.47 3hq4 h SER 281 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3hq4 h SER 281 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3hq4 h SER 281 CO -0.02 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3hq4 n ASP 282 N -3.45 0.00 -0.54 4.97 8.00 -0.59 -2.92 116.55 122.02 3hq4 n ASP 282 Ca -0.03 0.42 0.06 0.00 0.71 0.00 0.00 54.79 55.95 3hq4 n ASP 282 Cb 0.10 -0.46 0.08 0.00 -0.02 0.00 0.00 41.12 40.82 3hq4 n ASP 282 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3hq4 n VAL 283 N -1.46 0.21 -1.77 2.53 0.24 -0.83 -4.90 118.33 112.35 3hq4 n VAL 283 Ca 0.05 -0.61 -0.42 0.00 -2.04 0.00 0.00 64.34 61.33 3hq4 n VAL 283 Cb 0.21 1.09 -0.03 0.00 -1.47 0.00 0.00 33.84 33.64 3hq4 n VAL 283 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3hq4 s VAL 284 N -1.02 2.74 0.00 3.34 1.01 -1.15 -1.48 120.40 123.85 3hq4 s VAL 284 Ca 0.17 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3hq4 s VAL 284 Cb 0.11 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.38 3hq4 s VAL 284 CO 0.16 -0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3hq4 n GLY 285 N 4.21 0.76 3.83 4.51 0.00 -1.26 -5.03 105.19 112.21 3hq4 n GLY 285 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3hq4 n GLY 285 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3hq4 s MET 286 N -0.05 3.30 0.00 1.61 0.00 -0.55 -4.95 119.30 118.67 3hq4 s MET 286 Ca 0.00 0.95 0.08 0.00 0.00 0.00 0.00 55.69 56.72 3hq4 s MET 286 Cb 0.00 -2.04 0.02 0.00 0.00 0.00 0.00 34.83 32.81 3hq4 s MET 286 CO 0.00 -0.81 0.62 0.25 0.00 0.00 0.00 175.02 175.08 3hq4 n THR 287 N -2.64 0.00 -1.93 3.16 -2.24 -1.26 -2.99 114.28 106.39 3hq4 n THR 287 Ca 0.07 -0.44 -0.40 0.00 -2.27 0.00 0.00 64.05 61.00 3hq4 n THR 287 Cb 0.54 1.12 -0.00 0.00 -2.10 0.00 0.00 70.33 69.88 3hq4 n THR 287 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 3hq4 s TYR 288 N -1.02 2.72 0.16 4.78 4.12 -1.26 -4.69 117.35 122.17 3hq4 s TYR 288 Ca 0.07 1.29 0.31 0.00 0.02 0.00 0.00 57.07 58.76 3hq4 s TYR 288 Cb 0.06 -3.86 1.29 0.00 -1.52 0.00 0.00 41.96 37.94 3hq4 s TYR 288 CO 0.17 -2.53 1.96 0.78 0.02 0.00 0.00 175.55 175.95 3hq4 h GLY 289 N 2.93 0.00 -5.30 0.71 0.00 -0.61 -3.39 103.07 97.41 3hq4 h GLY 289 Ca -0.50 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.90 3hq4 h GLY 289 CO 0.64 0.00 0.11 -0.45 0.00 0.00 0.00 176.54 176.84 3hq4 s SER 290 N -5.86 -0.83 -0.37 0.19 0.15 -0.83 -3.83 113.70 102.32 3hq4 s SER 290 Ca 0.00 1.26 -0.01 0.00 0.70 0.00 0.00 55.95 57.91 3hq4 s SER 290 Cb 0.10 1.55 0.10 0.00 -1.71 0.00 0.00 66.02 66.06 3hq4 s SER 290 CO 0.57 -0.19 0.13 -0.22 1.20 0.00 0.00 173.24 174.73 3hq4 s LEU 291 N 1.90 4.89 0.10 3.45 2.96 -0.04 -0.26 118.68 131.67 3hq4 s LEU 291 Ca -0.08 -1.91 -0.31 0.00 -0.22 0.00 0.00 54.13 51.61 3hq4 s LEU 291 Cb -0.06 -1.77 -0.09 0.00 0.50 0.00 0.00 46.19 44.77 3hq4 s LEU 291 CO -0.18 -0.46 1.64 0.12 -1.32 0.00 0.00 176.35 176.15 3hq4 s PHE 292 N 1.11 2.57 -0.46 5.38 5.36 0.25 -0.88 117.98 131.31 3hq4 s PHE 292 Ca 0.06 0.38 -0.11 0.00 -0.96 0.00 0.00 56.93 56.30 3hq4 s PHE 292 Cb -0.21 -3.97 0.10 0.00 -0.34 0.00 0.00 43.02 38.60 3hq4 s PHE 292 CO -0.04 -3.80 0.33 0.34 -1.46 0.00 0.00 175.22 170.58 3hq4 s ASP 293 N 2.11 5.78 0.49 6.13 -1.08 -0.77 -0.68 116.67 128.65 3hq4 s ASP 293 Ca 0.73 -1.66 0.26 0.00 -0.52 0.00 0.00 52.55 51.37 3hq4 s ASP 293 Cb -0.41 -2.04 1.26 0.00 -1.46 0.00 0.00 42.92 40.27 3hq4 s ASP 293 CO 0.32 -0.64 1.99 0.00 0.52 0.00 0.00 175.17 177.36 3hq4 h ALA 294 N 8.52 1.20 0.00 3.66 0.00 -1.48 -2.59 119.26 128.56 3hq4 h ALA 294 Ca -0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3hq4 h ALA 294 Cb 1.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hq4 h ALA 294 CO 0.84 0.20 0.00 0.25 0.00 0.00 0.00 179.25 180.54 3hq4 n THR 295 N -3.57 0.93 0.39 0.00 -2.24 -1.26 -2.90 114.28 105.63 3hq4 n THR 295 Ca -0.01 0.33 0.08 0.00 -2.27 0.00 0.00 64.05 62.18 3hq4 n THR 295 Cb 0.30 -1.26 0.10 0.00 -2.10 0.00 0.00 70.33 67.38 3hq4 n THR 295 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hq4 n GLN 296 N -2.13 1.57 -2.21 -0.78 6.02 -0.98 -4.97 117.38 113.91 3hq4 n GLN 296 Ca 0.02 -1.63 -0.41 0.00 -0.01 0.00 0.00 57.00 54.96 3hq4 n GLN 296 Cb 0.18 -1.31 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 3hq4 n GLN 296 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3hq4 s THR 297 N -1.19 3.23 0.01 5.09 2.01 -1.14 -4.57 115.64 119.08 3hq4 s THR 297 Ca 0.21 0.99 0.02 0.00 0.31 0.00 0.00 61.69 63.22 3hq4 s THR 297 Cb 0.14 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 3hq4 s THR 297 CO 0.20 0.13 -0.06 -0.13 -0.69 0.00 0.00 174.62 174.07 3hq4 s ARG 298 N 0.10 0.43 -0.13 4.92 1.81 -0.27 -4.99 118.95 120.83 3hq4 s ARG 298 Ca 0.58 -0.38 0.00 0.00 -1.72 0.00 0.00 55.73 54.21 3hq4 s ARG 298 Cb -0.36 -0.32 0.02 0.00 -0.45 0.00 0.00 34.95 33.83 3hq4 s ARG 298 CO 0.37 0.08 -0.11 0.08 -0.68 0.00 0.00 175.30 175.03 3hq4 s VAL 299 N -0.59 1.31 -0.31 3.52 1.01 -1.26 -1.09 120.40 122.99 3hq4 s VAL 299 Ca -0.03 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 3hq4 s VAL 299 Cb -0.05 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 3hq4 s VAL 299 CO -0.00 0.41 0.18 -0.32 0.00 0.00 0.00 175.10 175.38 3hq4 s MET 300 N 1.56 3.54 -0.19 2.72 1.75 -0.20 -4.98 119.30 123.50 3hq4 s MET 300 Ca 0.04 -0.59 0.01 0.00 -1.25 0.00 0.00 55.69 53.90 3hq4 s MET 300 Cb -0.13 -3.65 0.03 0.00 2.84 0.00 0.00 34.83 33.92 3hq4 s MET 300 CO -0.09 -0.36 -0.17 -1.12 -0.65 0.00 0.00 175.02 172.63 3hq4 s SER 301 N 1.68 3.29 -0.34 1.11 0.01 -1.26 -0.92 113.70 117.27 3hq4 s SER 301 Ca 0.06 -0.76 -0.01 0.00 1.31 0.00 0.00 55.95 56.55 3hq4 s SER 301 Cb -0.17 -1.43 0.08 0.00 0.21 0.00 0.00 66.02 64.71 3hq4 s SER 301 CO 0.08 -0.05 0.07 -0.69 0.41 0.00 0.00 173.24 173.07 3hq4 s VAL 302 N 1.30 2.91 0.00 3.43 1.01 0.15 -4.98 120.40 124.21 3hq4 s VAL 302 Ca 0.02 -1.82 0.00 0.00 0.00 0.00 0.00 61.98 60.18 3hq4 s VAL 302 Cb -0.14 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3hq4 s VAL 302 CO -0.11 -0.40 0.00 0.61 0.00 0.00 0.00 175.10 175.20 3hq4 n GLY 303 N 4.53 2.81 0.00 4.51 0.00 -1.26 -1.01 105.19 114.77 3hq4 n GLY 303 Ca -0.06 -0.40 0.06 0.00 0.00 0.00 0.00 46.02 45.62 3hq4 n GLY 303 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hq4 n ASP 304 N 1.10 0.00 -4.39 1.61 9.92 -1.26 -4.82 116.55 118.71 3hq4 n ASP 304 Ca 0.00 -0.33 -0.36 0.00 -0.53 0.00 0.00 54.79 53.56 3hq4 n ASP 304 Cb 0.00 -0.02 -0.13 0.00 -0.64 0.00 0.00 41.12 40.33 3hq4 n ASP 304 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 3hq4 s ARG 305 N -2.04 3.43 -0.02 -1.24 0.52 -0.18 -5.03 118.95 114.38 3hq4 s ARG 305 Ca 0.17 -0.62 0.07 0.00 -0.52 0.00 0.00 55.73 54.83 3hq4 s ARG 305 Cb 0.08 -3.27 -0.02 0.00 0.52 0.00 0.00 34.95 32.26 3hq4 s ARG 305 CO 0.14 -0.27 -0.23 -0.65 0.02 0.00 0.00 175.30 174.31 3hq4 s GLN 306 N 1.55 1.89 -0.05 3.54 -0.21 -1.26 -0.67 119.66 124.45 3hq4 s GLN 306 Ca 0.05 -0.84 0.04 0.00 0.02 0.00 0.00 55.36 54.63 3hq4 s GLN 306 Cb -0.15 -1.83 -0.03 0.00 1.00 0.00 0.00 33.01 32.00 3hq4 s GLN 306 CO 0.02 0.50 -0.15 -0.51 -2.12 0.00 0.00 175.29 173.03 3hq4 s LEU 307 N -0.57 2.70 -0.08 2.90 1.43 -0.10 -4.68 118.68 120.29 3hq4 s LEU 307 Ca 0.09 -0.21 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3hq4 s LEU 307 Cb -0.09 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.59 3hq4 s LEU 307 CO -0.01 0.34 -0.21 -0.69 0.23 0.00 0.00 176.35 176.02 3hq4 s VAL 308 N -0.73 1.80 -0.03 -1.59 1.01 -0.35 -1.04 120.40 119.47 3hq4 s VAL 308 Ca 0.11 -0.89 0.06 0.00 0.00 0.00 0.00 61.98 61.26 3hq4 s VAL 308 Cb -0.11 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3hq4 s VAL 308 CO 0.00 0.50 -0.20 -0.75 0.00 0.00 0.00 175.10 174.65 3hq4 s LYS 309 N 0.23 1.80 0.10 2.72 2.20 -0.25 -1.02 119.74 125.52 3hq4 s LYS 309 Ca -0.12 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.77 3hq4 s LYS 309 Cb -0.16 -1.66 -0.04 0.00 -1.51 0.00 0.00 37.83 34.46 3hq4 s LYS 309 CO 0.06 0.39 -0.02 0.14 -0.36 0.00 0.00 175.35 175.55 3hq4 s VAL 310 N -0.31 0.43 -0.10 4.02 -7.23 -0.46 -1.11 120.40 115.64 3hq4 s VAL 310 Ca 0.04 -1.90 -0.09 0.00 -1.81 0.00 0.00 61.98 58.22 3hq4 s VAL 310 Cb -0.09 -1.75 0.03 0.00 0.56 0.00 0.00 36.38 35.12 3hq4 s VAL 310 CO 0.00 -0.79 0.26 0.00 -0.31 0.00 0.00 175.10 174.26 3hq4 s ALA 311 N -3.80 -0.64 -0.03 1.32 0.00 -1.26 -0.52 121.76 116.84 3hq4 s ALA 311 Ca 0.14 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.85 3hq4 s ALA 311 Cb 0.07 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.77 3hq4 s ALA 311 CO -0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 175.76 175.55 3hq4 s ALA 312 N 0.16 0.53 0.48 0.00 0.00 -0.28 -1.85 121.76 120.80 3hq4 s ALA 312 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 51.96 51.81 3hq4 s ALA 312 Cb -0.02 -0.29 -0.05 0.00 0.00 0.00 0.00 23.12 22.76 3hq4 s ALA 312 CO 0.00 0.03 0.82 -1.58 0.00 0.00 0.00 175.76 175.03 3hq4 s TRP 313 N 0.56 3.54 -0.22 0.00 0.52 -0.06 -0.55 118.94 122.73 3hq4 s TRP 313 Ca -0.07 0.96 -0.20 0.00 0.02 0.00 0.00 56.10 56.82 3hq4 s TRP 313 Cb -0.10 -2.41 0.06 0.00 -1.15 0.00 0.00 33.47 29.86 3hq4 s TRP 313 CO -0.00 -0.29 0.59 1.52 0.02 0.00 0.00 176.95 178.78 3hq4 s TYR 314 N -2.70 -0.67 -0.75 -1.98 1.13 -0.32 -0.86 117.35 111.20 3hq4 s TYR 314 Ca 0.50 1.60 -0.27 0.00 -1.41 0.00 0.00 57.07 57.49 3hq4 s TYR 314 Cb -0.10 0.25 0.03 0.00 -1.10 0.00 0.00 41.96 41.03 3hq4 s TYR 314 CO 0.42 -0.33 1.35 0.34 -2.51 0.00 0.00 175.55 174.83 3hq4 s ASP 315 N 0.45 6.09 0.58 -0.18 -1.08 -1.26 -1.48 116.67 119.78 3hq4 s ASP 315 Ca -0.01 -0.45 0.30 0.00 -0.52 0.00 0.00 52.55 51.87 3hq4 s ASP 315 Cb -0.04 -2.56 1.41 0.00 -1.46 0.00 0.00 42.92 40.27 3hq4 s ASP 315 CO -0.01 -1.88 1.78 -0.55 0.52 0.00 0.00 175.17 175.04 3hq4 h ASN 316 N 10.50 0.00 0.00 -0.34 7.08 -1.90 0.21 115.58 131.13 3hq4 h ASN 316 Ca -0.24 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.98 3hq4 h ASN 316 Cb 1.06 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.30 3hq4 h ASN 316 CO 1.28 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 176.01 3hq4 n GLU 317 N -3.76 0.00 -0.00 4.14 1.02 -1.26 -4.06 120.64 116.71 3hq4 n GLU 317 Ca 0.15 0.02 -0.02 0.00 -0.02 0.00 0.00 57.16 57.28 3hq4 n GLU 317 Cb 0.94 -0.57 0.23 0.00 -0.02 0.00 0.00 31.44 32.02 3hq4 n GLU 317 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 3hq4 h MET 318 N 0.00 0.52 -0.08 3.49 4.05 -1.77 -0.23 114.93 120.90 3hq4 h MET 318 Ca 0.00 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.25 3hq4 h MET 318 Cb 0.00 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 30.75 3hq4 h MET 318 CO 0.00 0.66 0.01 0.77 0.23 0.00 0.00 176.91 178.58 3hq4 h SER 319 N 0.48 0.13 -0.46 1.39 0.02 -0.49 0.59 113.55 115.22 3hq4 h SER 319 Ca 0.08 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3hq4 h SER 319 Cb 0.54 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3hq4 h SER 319 CO 0.03 0.36 0.30 0.22 -1.14 0.00 0.00 176.83 176.61 3hq4 h TYR 320 N -0.11 0.58 -0.58 3.45 3.20 -1.47 -2.50 116.97 119.54 3hq4 h TYR 320 Ca 0.02 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.81 3hq4 h TYR 320 Cb 0.29 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.34 3hq4 h TYR 320 CO 0.02 0.37 -0.02 1.15 -1.64 0.00 0.00 178.16 178.04 3hq4 h THR 321 N 0.62 1.26 -0.72 1.81 2.02 -0.93 0.76 112.91 117.73 3hq4 h THR 321 Ca 0.17 -1.15 -0.05 0.00 0.77 0.00 0.00 66.41 66.14 3hq4 h THR 321 Cb -0.07 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 3hq4 h THR 321 CO -0.04 0.41 0.24 0.00 0.37 0.00 0.00 175.52 176.50 3hq4 h ALA 322 N 1.04 0.94 -0.10 6.16 0.00 -0.78 -1.83 119.26 124.69 3hq4 h ALA 322 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hq4 h ALA 322 Cb 0.56 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3hq4 h ALA 322 CO 0.03 0.61 0.04 1.96 0.00 0.00 0.00 179.25 181.88 3hq4 h GLN 323 N 1.05 0.14 -0.88 0.00 1.08 -1.12 -2.22 115.11 113.16 3hq4 h GLN 323 Ca 0.23 -0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.57 3hq4 h GLN 323 Cb 0.29 -0.02 -0.10 0.00 -0.05 0.00 0.00 27.48 27.59 3hq4 h GLN 323 CO -0.01 0.26 0.46 1.25 -0.95 0.00 0.00 178.83 179.85 3hq4 h LEU 324 N -0.01 0.55 0.02 1.46 5.85 -0.61 -0.37 115.31 122.21 3hq4 h LEU 324 Ca 0.03 0.10 -0.23 0.00 0.84 0.00 0.00 57.88 58.62 3hq4 h LEU 324 Cb 0.17 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 3hq4 h LEU 324 CO -0.00 0.21 -1.12 0.58 -0.34 0.00 0.00 178.44 177.77 3hq4 h VAL 325 N 0.62 1.58 0.07 1.05 2.07 -1.30 0.19 116.25 120.54 3hq4 h VAL 325 Ca 0.49 -3.29 -0.00 0.00 0.82 0.00 0.00 66.70 64.72 3hq4 h VAL 325 Cb 0.74 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.32 3hq4 h VAL 325 CO -0.38 0.91 -0.03 0.03 0.02 0.00 0.00 177.57 178.11 3hq4 h ARG 326 N 0.01 -0.09 -0.73 1.57 3.08 -1.14 -1.29 114.38 115.79 3hq4 h ARG 326 Ca -0.06 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3hq4 h ARG 326 Cb 1.82 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 31.86 3hq4 h ARG 326 CO 0.13 0.01 0.39 1.15 -1.07 0.00 0.00 179.97 180.58 3hq4 h THR 327 N -0.16 1.22 0.08 2.04 2.02 -0.89 -2.09 112.91 115.13 3hq4 h THR 327 Ca -0.01 -0.56 0.02 0.00 0.77 0.00 0.00 66.41 66.63 3hq4 h THR 327 Cb 0.14 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 66.75 3hq4 h THR 327 CO 0.02 0.25 -0.24 0.25 0.37 0.00 0.00 175.52 176.16 3hq4 h LEU 328 N 1.02 -0.69 -0.65 2.58 5.85 -0.36 -1.08 115.31 121.98 3hq4 h LEU 328 Ca 0.26 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 3hq4 h LEU 328 Cb 0.04 0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3hq4 h LEU 328 CO -0.04 -0.32 0.39 0.00 -0.34 0.00 0.00 178.44 178.12 3hq4 h ALA 329 N 0.36 0.82 -0.26 1.25 0.00 -1.11 -1.15 119.26 119.17 3hq4 h ALA 329 Ca 0.04 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3hq4 h ALA 329 Cb 0.47 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3hq4 h ALA 329 CO -0.16 0.30 0.16 -0.92 0.00 0.00 0.00 179.25 178.63 3hq4 h TYR 330 N 0.88 0.29 -0.70 0.00 3.20 -1.10 -2.35 116.97 117.20 3hq4 h TYR 330 Ca 0.23 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 3hq4 h TYR 330 Cb -0.03 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.11 3hq4 h TYR 330 CO -0.02 0.18 0.37 1.25 -1.64 0.00 0.00 178.16 178.30 3hq4 h LEU 331 N 0.32 0.87 -0.74 2.82 5.85 -0.97 -2.51 115.31 120.96 3hq4 h LEU 331 Ca 0.10 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 3hq4 h LEU 331 Cb -0.02 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3hq4 h LEU 331 CO -0.04 0.71 0.37 0.00 -0.34 0.00 0.00 178.44 179.14 3hq4 h ALA 332 N 1.43 0.95 0.00 1.25 0.00 -0.95 -3.11 119.26 118.83 3hq4 h ALA 332 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hq4 h ALA 332 Cb 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3hq4 h ALA 332 CO -0.04 0.50 0.00 0.39 0.00 0.00 0.00 179.25 180.10 3hq4 n GLU 333 N -4.42 0.14 0.00 0.00 1.02 -0.91 -5.10 120.64 111.37 3hq4 n GLU 333 Ca 0.06 0.18 0.15 0.00 -0.02 0.00 0.00 57.16 57.53 3hq4 n GLU 333 Cb 0.12 -1.68 0.74 0.00 -0.02 0.00 0.00 31.44 30.60 3hq4 n GLU 333 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59