#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqv n PRO 5 N 0.00 1.87 -3.29 3.69 -0.02 -1.26 -4.97 135.00 131.02 3gqv n PRO 5 Ca 0.00 0.66 -0.38 0.00 -2.02 0.00 0.00 63.50 61.75 3gqv n PRO 5 Cb 0.00 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.24 3gqv n PRO 5 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3gqv s PHE 6 N -1.00 3.60 -0.20 6.00 5.36 -1.26 -5.07 117.98 125.40 3gqv s PHE 6 Ca 0.57 1.02 0.01 0.00 -0.96 0.00 0.00 56.93 57.58 3gqv s PHE 6 Cb -0.62 -2.55 0.04 0.00 -0.34 0.00 0.00 43.02 39.55 3gqv s PHE 6 CO 0.61 0.28 -0.15 0.42 -1.46 0.00 0.00 175.22 174.92 3gqv s ILE 7 N 0.16 1.97 0.66 3.12 -1.09 -1.26 -5.04 121.20 119.72 3gqv s ILE 7 Ca 0.28 -1.13 -0.17 0.00 -2.23 0.00 0.00 60.65 57.39 3gqv s ILE 7 Cb -0.16 -1.92 -0.00 0.00 -1.58 0.00 0.00 42.46 38.79 3gqv s ILE 7 CO 0.13 0.29 1.25 -2.84 -1.23 0.00 0.00 174.94 172.55 3gqv s PRO 8 N 1.27 2.50 0.69 2.79 0.02 -1.26 -4.97 135.00 136.05 3gqv s PRO 8 Ca -0.00 1.93 -0.16 0.00 0.02 0.00 0.00 61.00 62.78 3gqv s PRO 8 Cb -0.16 -1.86 -0.02 0.00 0.02 0.00 0.00 34.50 32.48 3gqv s PRO 8 CO -0.10 -1.60 0.78 -2.30 -0.33 0.00 0.00 177.00 173.46 3gqv n PRO 9 N -2.09 0.48 0.20 5.54 -0.02 -1.26 -4.91 135.00 132.93 3gqv n PRO 9 Ca 0.15 0.21 0.04 0.00 -2.02 0.00 0.00 63.50 61.88 3gqv n PRO 9 Cb 0.49 -2.04 0.43 0.00 -0.02 0.00 0.00 33.50 32.37 3gqv n PRO 9 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3gqv h PRO 10 N -0.17 0.02 -3.03 0.52 0.13 -1.97 -3.41 132.00 124.10 3gqv h PRO 10 Ca -0.47 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 3gqv h PRO 10 Cb 1.35 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 3gqv h PRO 10 CO 0.46 0.28 0.23 1.14 -0.23 0.00 0.00 178.00 179.88 3gqv s GLN 11 N -4.46 1.93 0.37 0.86 -2.07 -1.26 -4.59 119.66 110.44 3gqv s GLN 11 Ca -0.04 -1.15 -0.12 0.00 -1.82 0.00 0.00 55.36 52.24 3gqv s GLN 11 Cb 0.15 0.61 0.04 0.00 -1.09 0.00 0.00 33.01 32.72 3gqv s GLN 11 CO 0.71 -0.89 0.69 1.14 -1.32 0.00 0.00 175.29 175.63 3gqv s GLN 12 N -3.39 2.14 -0.10 9.60 -2.07 0.29 -4.87 119.66 121.26 3gqv s GLN 12 Ca 0.13 -1.54 -0.10 0.00 -1.82 0.00 0.00 55.36 52.04 3gqv s GLN 12 Cb -0.06 0.57 -0.05 0.00 -1.09 0.00 0.00 33.01 32.39 3gqv s GLN 12 CO 0.09 -0.97 0.22 0.99 -1.32 0.00 0.00 175.29 174.29 3gqv s THR 13 N -2.54 5.37 0.14 3.63 2.01 -1.26 -0.89 115.64 122.10 3gqv s THR 13 Ca 0.20 0.39 -0.11 0.00 0.31 0.00 0.00 61.69 62.48 3gqv s THR 13 Cb -0.04 -3.50 0.00 0.00 0.01 0.00 0.00 72.50 68.98 3gqv s THR 13 CO 0.14 0.58 0.31 0.00 -0.69 0.00 0.00 174.62 174.96 3gqv s ALA 14 N -0.87 -0.32 -0.13 7.40 0.00 -0.48 -2.25 121.76 125.12 3gqv s ALA 14 Ca 0.17 -0.61 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 3gqv s ALA 14 Cb -0.13 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.68 3gqv s ALA 14 CO 0.06 -0.63 0.07 -1.17 0.00 0.00 0.00 175.76 174.09 3gqv s LEU 15 N -2.90 3.92 0.00 0.00 2.96 0.26 -0.78 118.68 122.13 3gqv s LEU 15 Ca 0.11 0.22 -0.00 0.00 -0.22 0.00 0.00 54.13 54.24 3gqv s LEU 15 Cb 0.03 -1.95 0.00 0.00 0.50 0.00 0.00 46.19 44.77 3gqv s LEU 15 CO -0.05 0.31 0.05 1.07 -1.32 0.00 0.00 176.35 176.41 3gqv n THR 16 N 2.63 0.00 -5.10 3.68 5.66 -0.18 -1.37 114.28 119.59 3gqv n THR 16 Ca -0.18 -0.22 -0.32 0.00 -3.05 0.00 0.00 64.05 60.28 3gqv n THR 16 Cb 0.53 0.13 -0.15 0.00 -1.55 0.00 0.00 70.33 69.29 3gqv n THR 16 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 3gqv s VAL 17 N -2.43 2.48 0.00 1.08 1.01 -1.26 -0.58 120.40 120.70 3gqv s VAL 17 Ca 0.04 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3gqv s VAL 17 Cb -0.00 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.44 3gqv s VAL 17 CO 0.03 0.57 0.00 -0.46 0.00 0.00 0.00 175.10 175.24 3gqv n ASN 18 N 2.72 0.00 0.05 3.32 0.23 -0.49 -0.87 115.26 120.22 3gqv n ASN 18 Ca -0.17 -0.22 0.13 0.00 -0.53 0.00 0.00 54.58 53.79 3gqv n ASN 18 Cb 0.52 0.00 0.52 0.00 -2.08 0.00 0.00 39.78 38.74 3gqv n ASN 18 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 3gqv n ASP 19 N -0.67 0.36 -1.67 0.53 8.00 -1.26 -3.58 116.55 118.26 3gqv n ASP 19 Ca 0.00 0.54 -0.17 0.00 0.71 0.00 0.00 54.79 55.87 3gqv n ASP 19 Cb 0.00 -0.63 0.08 0.00 -0.02 0.00 0.00 41.12 40.55 3gqv n ASP 19 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3gqv n HIS 20 N -1.84 2.06 -2.69 1.24 8.25 -1.26 -4.97 115.22 116.01 3gqv n HIS 20 Ca 0.06 -2.07 -0.18 0.00 -0.26 0.00 0.00 57.72 55.27 3gqv n HIS 20 Cb 0.37 -0.40 0.00 0.00 1.12 0.00 0.00 29.99 31.08 3gqv n HIS 20 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3gqv n ASP 21 N -0.84 -4.83 -4.58 0.41 2.03 -1.24 -4.98 116.55 102.52 3gqv n ASP 21 Ca 0.39 -0.04 -0.34 0.00 0.52 0.00 0.00 54.79 55.32 3gqv n ASP 21 Cb 0.89 -4.01 -0.11 0.00 -0.72 0.00 0.00 41.12 37.17 3gqv n ASP 21 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3gqv s GLU 22 N -5.32 3.21 0.10 -0.67 2.02 -1.26 -4.92 118.70 111.85 3gqv s GLU 22 Ca 0.12 -0.49 -0.31 0.00 0.02 0.00 0.00 54.97 54.31 3gqv s GLU 22 Cb -0.06 -2.79 -0.08 0.00 0.10 0.00 0.00 34.13 31.30 3gqv s GLU 22 CO 0.15 0.50 1.49 0.08 0.02 0.00 0.00 175.26 177.50 3gqv s VAL 23 N -0.35 3.15 -0.05 2.63 1.01 -1.26 -1.39 120.40 124.14 3gqv s VAL 23 Ca 0.06 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.79 3gqv s VAL 23 Cb -0.12 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.80 3gqv s VAL 23 CO 0.02 0.03 -0.05 -0.89 0.00 0.00 0.00 175.10 174.22 3gqv s THR 24 N 1.69 0.59 -0.27 3.92 2.01 0.25 -4.95 115.64 118.89 3gqv s THR 24 Ca 0.68 -0.15 -0.29 0.00 0.31 0.00 0.00 61.69 62.24 3gqv s THR 24 Cb -0.38 -0.61 0.01 0.00 0.01 0.00 0.00 72.50 71.53 3gqv s THR 24 CO 0.30 0.24 1.14 -0.69 -0.69 0.00 0.00 174.62 174.92 3gqv s VAL 25 N 0.92 4.44 -0.28 3.82 1.01 -1.26 -1.01 120.40 128.04 3gqv s VAL 25 Ca -0.11 1.69 -0.05 0.00 0.00 0.00 0.00 61.98 63.51 3gqv s VAL 25 Cb -0.14 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 31.97 3gqv s VAL 25 CO 0.00 -0.35 0.04 0.86 0.00 0.00 0.00 175.10 175.65 3gqv s TRP 26 N 3.65 3.13 -2.49 5.22 -0.00 0.04 -4.98 118.94 123.51 3gqv s TRP 26 Ca 0.49 -1.13 0.23 0.00 -0.00 0.00 0.00 56.10 55.68 3gqv s TRP 26 Cb -0.15 -2.20 0.60 0.00 -0.00 0.00 0.00 33.47 31.72 3gqv s TRP 26 CO 0.14 -0.62 1.49 0.09 -0.00 0.00 0.00 176.95 178.05 3gqv n ASN 27 N 4.81 2.41 -1.56 5.86 5.03 -1.26 -1.39 115.26 129.16 3gqv n ASN 27 Ca -0.15 -1.81 -0.03 0.00 0.87 0.00 0.00 54.58 53.46 3gqv n ASN 27 Cb 0.48 -0.12 0.09 0.00 -1.02 0.00 0.00 39.78 39.21 3gqv n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3gqv n ALA 28 N 0.83 3.46 -1.62 5.41 0.00 -1.21 -4.49 120.51 122.89 3gqv n ALA 28 Ca 0.17 -3.08 -0.34 0.00 0.00 0.00 0.00 53.44 50.20 3gqv n ALA 28 Cb 0.46 -0.54 0.03 0.00 0.00 0.00 0.00 19.45 19.40 3gqv n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqv s ALA 29 N -2.60 2.57 0.66 0.00 0.00 -0.07 -4.74 121.76 117.58 3gqv s ALA 29 Ca 0.38 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 52.86 3gqv s ALA 29 Cb 0.38 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.16 3gqv s ALA 29 CO -0.06 -1.05 1.06 -1.25 0.00 0.00 0.00 175.76 174.45 3gqv s PRO 30 N -3.77 3.04 -0.13 0.00 0.04 -1.26 -0.55 135.00 132.36 3gqv s PRO 30 Ca 0.69 1.05 -0.06 0.00 0.04 0.00 0.00 61.00 62.72 3gqv s PRO 30 Cb -0.22 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 3gqv s PRO 30 CO 0.35 -1.03 0.09 0.00 0.04 0.00 0.00 177.00 176.46 3gqv s PRO 32 N -0.55 2.27 0.57 0.00 0.04 -1.26 -5.03 135.00 131.04 3gqv s PRO 32 Ca 0.11 1.47 -0.11 0.00 0.04 0.00 0.00 61.00 62.51 3gqv s PRO 32 Cb -0.12 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 3gqv s PRO 32 CO 0.02 -1.67 0.96 -1.64 0.04 0.00 0.00 177.00 174.71 3gqv s MET 33 N -4.29 3.64 -0.36 4.56 -1.94 -1.26 -4.89 119.30 114.77 3gqv s MET 33 Ca 0.68 0.65 -0.19 0.00 -1.71 0.00 0.00 55.69 55.12 3gqv s MET 33 Cb -0.22 -2.16 -0.00 0.00 2.01 0.00 0.00 34.83 34.45 3gqv s MET 33 CO 0.48 -0.43 0.54 -1.17 -0.01 0.00 0.00 175.02 174.42 3gqv s LEU 34 N -4.89 4.35 0.57 -0.03 2.96 -1.26 -4.95 118.68 115.44 3gqv s LEU 34 Ca 0.54 -0.02 -0.20 0.00 -0.22 0.00 0.00 54.13 54.23 3gqv s LEU 34 Cb -0.11 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3gqv s LEU 34 CO 0.48 -0.52 1.25 -2.84 -1.32 0.00 0.00 176.35 173.41 3gqv s PRO 35 N 2.46 3.04 0.50 0.98 0.02 -1.26 -4.92 135.00 135.82 3gqv s PRO 35 Ca 0.20 1.96 0.22 0.00 0.02 0.00 0.00 61.00 63.39 3gqv s PRO 35 Cb -0.15 -2.05 1.30 0.00 0.02 0.00 0.00 34.50 33.62 3gqv s PRO 35 CO 0.14 -1.19 2.06 0.00 -0.33 0.00 0.00 177.00 177.68 3gqv h ARG 36 N 1.11 0.00 -0.49 5.54 3.08 -1.97 -2.76 114.38 118.89 3gqv h ARG 36 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3gqv h ARG 36 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 3gqv h ARG 36 CO 0.56 0.13 0.00 -0.40 -1.07 0.00 0.00 179.97 179.19 3gqv n ASP 37 N -3.97 4.46 -4.15 7.04 5.75 -1.26 -0.37 116.55 124.05 3gqv n ASP 37 Ca -0.02 -2.62 -0.25 0.00 -0.01 0.00 0.00 54.79 51.88 3gqv n ASP 37 Cb 0.22 -0.54 -0.08 0.00 -1.03 0.00 0.00 41.12 39.69 3gqv n ASP 37 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3gqv s GLN 38 N -2.15 1.91 0.17 0.11 -1.52 -1.04 -4.84 119.66 112.30 3gqv s GLN 38 Ca 0.46 -2.15 0.10 0.00 -1.95 0.00 0.00 55.36 51.81 3gqv s GLN 38 Cb 0.32 -0.63 -0.04 0.00 -0.22 0.00 0.00 33.01 32.44 3gqv s GLN 38 CO 0.18 -0.46 -0.21 0.14 -0.25 0.00 0.00 175.29 174.69 3gqv s VAL 39 N -3.22 2.01 -0.12 1.09 -7.23 -1.26 -0.54 120.40 111.13 3gqv s VAL 39 Ca 0.25 -1.92 -0.16 0.00 -1.81 0.00 0.00 61.98 58.34 3gqv s VAL 39 Cb 0.03 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 35.01 3gqv s VAL 39 CO 0.14 -0.21 0.38 -0.47 -0.31 0.00 0.00 175.10 174.64 3gqv s TYR 40 N -1.80 3.52 -0.15 2.82 5.04 0.32 -2.11 117.35 124.99 3gqv s TYR 40 Ca 0.17 0.77 0.02 0.00 -2.44 0.00 0.00 57.07 55.58 3gqv s TYR 40 Cb -0.07 -2.42 0.01 0.00 0.35 0.00 0.00 41.96 39.84 3gqv s TYR 40 CO 0.08 0.27 -0.20 0.08 -1.34 0.00 0.00 175.55 174.43 3gqv s VAL 41 N 0.31 1.99 -0.54 3.14 1.01 0.27 -1.04 120.40 125.54 3gqv s VAL 41 Ca 0.21 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.99 3gqv s VAL 41 Cb -0.14 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.49 3gqv s VAL 41 CO 0.08 0.53 1.14 -0.60 0.00 0.00 0.00 175.10 176.25 3gqv s ARG 42 N 1.03 3.56 0.13 2.72 3.52 0.20 -1.79 118.95 128.32 3gqv s ARG 42 Ca -0.02 0.30 -0.31 0.00 -0.13 0.00 0.00 55.73 55.56 3gqv s ARG 42 Cb -0.14 -3.98 -0.09 0.00 -1.56 0.00 0.00 34.95 29.18 3gqv s ARG 42 CO -0.06 -1.55 1.44 0.08 -0.81 0.00 0.00 175.30 174.40 3gqv s VAL 43 N 4.65 3.11 -0.13 7.11 1.01 -0.57 -0.92 120.40 134.66 3gqv s VAL 43 Ca 0.43 0.79 0.07 0.00 0.00 0.00 0.00 61.98 63.27 3gqv s VAL 43 Cb -0.08 -3.51 -0.13 0.00 0.00 0.00 0.00 36.38 32.67 3gqv s VAL 43 CO 0.27 0.06 -0.03 -0.62 0.00 0.00 0.00 175.10 174.78 3gqv n GLU 44 N 3.99 1.39 -3.82 2.72 -0.58 0.65 -4.88 120.64 120.11 3gqv n GLU 44 Ca 0.12 0.03 -0.11 0.00 -0.42 0.00 0.00 57.16 56.78 3gqv n GLU 44 Cb 0.41 -1.30 -0.09 0.00 -0.57 0.00 0.00 31.44 29.89 3gqv n GLU 44 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gqv s ALA 45 N -2.29 -0.49 0.07 0.62 0.00 -0.89 -0.82 121.76 117.96 3gqv s ALA 45 Ca -0.12 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.81 3gqv s ALA 45 Cb 0.04 0.19 -0.03 0.00 0.00 0.00 0.00 23.12 23.32 3gqv s ALA 45 CO 0.43 -0.30 -0.09 0.14 0.00 0.00 0.00 175.76 175.95 3gqv s VAL 46 N -1.93 0.70 0.16 0.00 -7.23 -0.55 -1.55 120.40 110.01 3gqv s VAL 46 Ca -0.10 -1.39 0.08 0.00 -1.81 0.00 0.00 61.98 58.77 3gqv s VAL 46 Cb -0.04 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 3gqv s VAL 46 CO -0.00 -0.50 -0.09 0.00 -0.31 0.00 0.00 175.10 174.19 3gqv s ALA 47 N -2.04 2.95 -0.13 1.32 0.00 -1.01 -0.40 121.76 122.45 3gqv s ALA 47 Ca -0.02 -1.42 -0.11 0.00 0.00 0.00 0.00 51.96 50.41 3gqv s ALA 47 Cb -0.05 -0.77 -0.05 0.00 0.00 0.00 0.00 23.12 22.25 3gqv s ALA 47 CO -0.01 0.50 0.22 0.42 0.00 0.00 0.00 175.76 176.90 3gqv s ILE 48 N -1.59 5.36 0.03 0.00 -1.09 -0.12 -4.32 121.20 119.46 3gqv s ILE 48 Ca 0.24 0.39 0.08 0.00 -2.23 0.00 0.00 60.65 59.13 3gqv s ILE 48 Cb -0.09 -3.53 -0.02 0.00 -1.58 0.00 0.00 42.46 37.24 3gqv s ILE 48 CO 0.15 0.51 -0.23 0.20 -1.23 0.00 0.00 174.94 174.33 3gqv s ASN 49 N -0.31 2.77 0.44 3.58 0.01 -1.26 -4.57 114.94 115.60 3gqv s ASN 49 Ca 0.15 -0.52 0.21 0.00 -0.71 0.00 0.00 52.86 52.00 3gqv s ASN 49 Cb -0.13 -0.26 1.18 0.00 0.41 0.00 0.00 41.25 42.45 3gqv s ASN 49 CO 0.04 0.23 1.83 -0.65 -1.51 0.00 0.00 177.10 177.04 3gqv h PRO 50 N 5.04 0.31 0.00 -0.60 0.11 -1.98 0.18 132.00 135.06 3gqv h PRO 50 Ca -0.43 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 3gqv h PRO 50 Cb 1.15 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3gqv h PRO 50 CO 0.45 0.20 -0.06 0.66 -0.21 0.00 0.00 178.00 179.04 3gqv h SER 51 N 0.31 0.00 0.17 -2.05 4.64 -1.97 -0.87 113.55 113.80 3gqv h SER 51 Ca 0.51 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.80 3gqv h SER 51 Cb 1.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.52 3gqv h SER 51 CO -0.18 0.06 -0.15 0.44 -0.87 0.00 0.00 176.83 176.13 3gqv h ASP 52 N 0.00 0.00 0.22 4.97 3.32 -1.05 -3.19 116.42 120.69 3gqv h ASP 52 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3gqv h ASP 52 Cb 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3gqv h ASP 52 CO 0.01 0.15 -0.53 0.35 -1.72 0.00 0.00 179.24 177.50 3gqv n THR 53 N -4.26 0.00 0.00 0.35 -2.24 -0.33 -4.94 114.28 102.86 3gqv n THR 53 Ca -0.02 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3gqv n THR 53 Cb 0.22 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 3gqv n THR 53 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gqv n SER 54 N -0.97 0.00 -3.64 3.42 7.64 -1.21 -5.04 113.62 113.83 3gqv n SER 54 Ca 0.08 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.91 3gqv n SER 54 Cb 0.36 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.50 3gqv n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gqv s ALA 60 N -4.00 -2.12 -0.46 -0.43 0.00 -1.26 -5.06 121.76 108.44 3gqv s ALA 60 Ca 0.00 2.20 -0.08 0.00 0.00 0.00 0.00 51.96 54.08 3gqv s ALA 60 Cb 0.00 -1.59 0.11 0.00 0.00 0.00 0.00 23.12 21.64 3gqv s ALA 60 CO 0.00 -0.34 0.32 0.99 0.00 0.00 0.00 175.76 176.73 3gqv s THR 61 N 1.20 4.10 0.28 0.00 2.01 -1.26 -5.07 115.64 116.90 3gqv s THR 61 Ca -0.07 -1.77 -0.29 0.00 0.31 0.00 0.00 61.69 59.87 3gqv s THR 61 Cb -0.04 -3.69 -0.13 0.00 0.01 0.00 0.00 72.50 68.65 3gqv s THR 61 CO -0.14 -0.73 1.24 -2.65 -0.69 0.00 0.00 174.62 171.64 3gqv n PRO 62 N 4.87 1.79 -0.39 4.92 -0.02 -1.26 -1.95 135.00 142.96 3gqv n PRO 62 Ca -0.08 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3gqv n PRO 62 Cb 0.41 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 3gqv n PRO 62 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3gqv n TRP 63 N 0.90 0.00 -2.92 6.00 7.02 -0.05 -4.97 117.44 123.41 3gqv n TRP 63 Ca 0.09 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.22 3gqv n TRP 63 Cb 0.32 -0.05 -0.06 0.00 -2.42 0.00 0.00 31.31 29.10 3gqv n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3gqv s ALA 64 N -3.30 3.24 0.36 6.99 0.00 -0.83 -4.87 121.76 123.35 3gqv s ALA 64 Ca 0.00 0.33 -0.26 0.00 0.00 0.00 0.00 51.96 52.03 3gqv s ALA 64 Cb 0.00 -3.02 -0.09 0.00 0.00 0.00 0.00 23.12 20.01 3gqv s ALA 64 CO 0.00 0.23 1.11 -0.06 0.00 0.00 0.00 175.76 177.04 3gqv s PHE 65 N -1.78 3.29 0.54 0.00 0.08 -0.27 -4.27 117.98 115.57 3gqv s PHE 65 Ca 0.52 1.63 -0.02 0.00 0.12 0.00 0.00 56.93 59.17 3gqv s PHE 65 Cb -0.15 -3.28 0.01 0.00 -0.57 0.00 0.00 43.02 39.04 3gqv s PHE 65 CO 0.20 -0.86 0.80 -0.51 -0.10 0.00 0.00 175.22 174.74 3gqv s LEU 66 N -2.19 3.36 0.00 -0.37 1.43 -0.47 -1.92 118.68 118.52 3gqv s LEU 66 Ca 0.53 0.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.01 3gqv s LEU 66 Cb -0.28 -3.22 0.00 0.00 0.03 0.00 0.00 46.19 42.72 3gqv s LEU 66 CO 0.36 -0.99 0.00 0.61 0.23 0.00 0.00 176.35 176.56 3gqv n GLY 67 N -2.37 2.16 0.41 -3.19 0.00 -1.26 -1.49 105.19 99.46 3gqv n GLY 67 Ca 0.04 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 3gqv n GLY 67 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gqv n THR 68 N 2.10 1.16 -3.15 2.61 -1.04 -1.26 -1.45 114.28 113.25 3gqv n THR 68 Ca 0.00 -0.10 -0.40 0.00 -2.04 0.00 0.00 64.05 61.51 3gqv n THR 68 Cb 0.00 -1.87 -0.07 0.00 -1.82 0.00 0.00 70.33 66.57 3gqv n THR 68 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3gqv s ASP 69 N -6.44 6.53 0.10 8.00 1.01 -1.26 -0.52 116.67 124.09 3gqv s ASP 69 Ca -0.24 0.65 0.02 0.00 0.71 0.00 0.00 52.55 53.69 3gqv s ASP 69 Cb 0.08 -2.32 -0.04 0.00 1.01 0.00 0.00 42.92 41.65 3gqv s ASP 69 CO 0.32 -0.34 -0.07 -0.72 0.21 0.00 0.00 175.17 174.56 3gqv s TYR 70 N 2.44 0.90 -0.10 4.23 1.13 -0.97 -2.39 117.35 122.60 3gqv s TYR 70 Ca 0.25 -0.89 -0.11 0.00 -1.41 0.00 0.00 57.07 54.91 3gqv s TYR 70 Cb -0.16 -0.52 0.03 0.00 -1.10 0.00 0.00 41.96 40.21 3gqv s TYR 70 CO 0.09 -0.13 0.29 0.00 -2.51 0.00 0.00 175.55 173.29 3gqv s ALA 71 N -3.51 -0.73 0.01 9.51 0.00 -0.59 -1.94 121.76 124.51 3gqv s ALA 71 Ca 0.11 0.76 -0.01 0.00 0.00 0.00 0.00 51.96 52.82 3gqv s ALA 71 Cb 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3gqv s ALA 71 CO -0.04 -0.15 0.06 0.41 0.00 0.00 0.00 175.76 176.03 3gqv n GLY 72 N 2.72 1.16 3.54 0.00 0.00 0.28 -0.26 105.19 112.63 3gqv n GLY 72 Ca -0.14 -0.92 -0.34 0.00 0.00 0.00 0.00 46.02 44.62 3gqv n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gqv s THR 73 N -2.48 3.95 -0.12 2.61 2.01 -0.09 -1.38 115.64 120.14 3gqv s THR 73 Ca 0.01 -0.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.37 3gqv s THR 73 Cb -0.00 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.77 3gqv s THR 73 CO 0.00 0.52 1.36 -0.69 -0.69 0.00 0.00 174.62 175.12 3gqv s VAL 74 N 0.06 4.07 -0.19 3.82 1.01 0.16 -0.63 120.40 128.70 3gqv s VAL 74 Ca 0.00 1.31 0.14 0.00 0.00 0.00 0.00 61.98 63.44 3gqv s VAL 74 Cb -0.13 -3.85 -0.20 0.00 0.00 0.00 0.00 36.38 32.20 3gqv s VAL 74 CO 0.03 -0.10 0.38 1.33 0.00 0.00 0.00 175.10 176.74 3gqv n VAL 75 N 5.29 0.00 -3.60 2.92 0.24 -0.20 -0.89 118.33 122.08 3gqv n VAL 75 Ca 0.14 -0.28 -0.13 0.00 -2.04 0.00 0.00 64.34 62.04 3gqv n VAL 75 Cb 0.44 0.40 -0.05 0.00 -1.47 0.00 0.00 33.84 33.16 3gqv n VAL 75 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gqv s ALA 76 N -2.79 -1.17 -0.07 2.33 0.00 -1.22 -4.95 121.76 113.90 3gqv s ALA 76 Ca -0.02 0.36 0.02 0.00 0.00 0.00 0.00 51.96 52.32 3gqv s ALA 76 Cb 0.09 0.48 0.01 0.00 0.00 0.00 0.00 23.12 23.71 3gqv s ALA 76 CO 0.58 -0.54 -0.11 0.08 0.00 0.00 0.00 175.76 175.76 3gqv s VAL 77 N -2.86 1.07 0.65 0.00 1.01 -1.26 -0.52 120.40 118.48 3gqv s VAL 77 Ca -0.03 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 3gqv s VAL 77 Cb -0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3gqv s VAL 77 CO -0.05 0.34 1.12 0.61 0.00 0.00 0.00 175.10 177.13 3gqv n GLY 78 N 3.90 0.08 0.25 4.51 0.00 0.30 -4.91 105.19 109.31 3gqv n GLY 78 Ca -0.23 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.71 3gqv n GLY 78 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gqv h SER 79 N 0.35 0.00 -0.07 1.61 4.64 -1.68 -2.27 113.55 116.13 3gqv h SER 79 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3gqv h SER 79 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 3gqv h SER 79 CO 0.51 0.16 0.00 0.47 -0.87 0.00 0.00 176.83 177.10 3gqv n ASP 80 N -3.84 2.07 -4.68 4.97 8.00 0.51 -4.90 116.55 118.68 3gqv n ASP 80 Ca -0.02 -1.70 -0.40 0.00 0.71 0.00 0.00 54.79 53.38 3gqv n ASP 80 Cb 0.26 -0.04 -0.06 0.00 -0.02 0.00 0.00 41.12 41.26 3gqv n ASP 80 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gqv s VAL 81 N -1.93 5.04 0.28 2.53 1.01 -0.86 -4.89 120.40 121.59 3gqv s VAL 81 Ca 0.35 1.23 0.09 0.00 0.00 0.00 0.00 61.98 63.65 3gqv s VAL 81 Cb 0.20 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3gqv s VAL 81 CO 0.31 0.15 0.01 0.42 0.00 0.00 0.00 175.10 176.00 3gqv s THR 82 N 1.58 3.30 0.00 3.92 -4.23 -1.26 -4.71 115.64 114.24 3gqv s THR 82 Ca 0.30 -1.90 0.00 0.00 -1.18 0.00 0.00 61.69 58.92 3gqv s THR 82 Cb -0.16 -2.85 0.00 0.00 1.34 0.00 0.00 72.50 70.83 3gqv s THR 82 CO 0.12 -0.33 0.00 1.41 -0.54 0.00 0.00 174.62 175.27 3gqv n HIS 83 N -0.93 0.00 -4.62 3.99 8.25 -1.26 -5.00 115.22 115.65 3gqv n HIS 83 Ca -0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.18 3gqv n HIS 83 Cb 0.60 -0.38 -0.15 0.00 1.12 0.00 0.00 29.99 31.17 3gqv n HIS 83 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3gqv s ILE 84 N -2.56 1.09 0.13 1.59 -1.09 -1.26 -5.12 121.20 113.98 3gqv s ILE 84 Ca 0.00 -0.56 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 3gqv s ILE 84 Cb 0.00 -0.92 -0.04 0.00 -1.58 0.00 0.00 42.46 39.92 3gqv s ILE 84 CO 0.00 0.31 -0.12 0.00 -1.23 0.00 0.00 174.94 173.91 3gqv s GLN 85 N -0.13 1.01 0.19 2.79 -2.07 -1.26 -5.00 119.66 115.19 3gqv s GLN 85 Ca 0.01 -1.32 -0.33 0.00 -1.82 0.00 0.00 55.36 51.90 3gqv s GLN 85 Cb -0.07 -0.71 -0.14 0.00 -1.09 0.00 0.00 33.01 30.99 3gqv s GLN 85 CO 0.00 0.11 1.47 0.28 -1.32 0.00 0.00 175.29 175.83 3gqv n VAL 86 N 0.20 0.41 0.00 3.63 0.31 -1.26 -1.39 118.33 120.23 3gqv n VAL 86 Ca -0.13 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3gqv n VAL 86 Cb 0.59 -1.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.10 3gqv n VAL 86 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gqv n GLY 87 N 2.77 3.25 3.66 2.92 0.00 -0.07 -5.01 105.19 112.70 3gqv n GLY 87 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3gqv n GLY 87 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gqv n ASP 88 N 0.00 0.73 -4.47 1.61 8.00 -0.49 -4.68 116.55 117.26 3gqv n ASP 88 Ca 0.00 0.60 -0.33 0.00 0.71 0.00 0.00 54.79 55.77 3gqv n ASP 88 Cb 0.00 -1.47 -0.13 0.00 -0.02 0.00 0.00 41.12 39.51 3gqv n ASP 88 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3gqv s ARG 89 N -3.86 3.21 0.14 -1.24 0.52 -1.26 -0.67 118.95 115.79 3gqv s ARG 89 Ca 0.73 -0.61 0.04 0.00 -0.52 0.00 0.00 55.73 55.37 3gqv s ARG 89 Cb -0.30 -2.67 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 3gqv s ARG 89 CO 0.51 0.38 -0.10 0.14 0.02 0.00 0.00 175.30 176.25 3gqv s VAL 90 N -0.05 1.09 0.02 3.52 -7.23 -0.48 -0.79 120.40 116.49 3gqv s VAL 90 Ca -0.01 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.12 3gqv s VAL 90 Cb -0.14 -1.79 -0.02 0.00 0.56 0.00 0.00 36.38 35.00 3gqv s VAL 90 CO 0.03 -0.74 0.03 -0.72 -0.31 0.00 0.00 175.10 173.39 3gqv s TYR 91 N -3.28 0.23 -0.13 2.82 1.13 -0.23 -0.56 117.35 117.33 3gqv s TYR 91 Ca 0.15 -0.50 0.00 0.00 -1.41 0.00 0.00 57.07 55.31 3gqv s TYR 91 Cb 0.02 -0.17 0.00 0.00 -1.10 0.00 0.00 41.96 40.71 3gqv s TYR 91 CO -0.00 -0.27 0.00 0.41 -2.51 0.00 0.00 175.55 173.18 3gqv n GLY 92 N 1.21 -1.18 3.61 5.49 0.00 -0.82 -1.34 105.19 112.17 3gqv n GLY 92 Ca -0.22 -0.93 -0.34 0.00 0.00 0.00 0.00 46.02 44.54 3gqv n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqv s ALA 93 N -1.55 3.05 0.30 4.61 0.00 -0.88 -2.29 121.76 125.00 3gqv s ALA 93 Ca 0.00 -0.88 0.06 0.00 0.00 0.00 0.00 51.96 51.14 3gqv s ALA 93 Cb 0.00 -1.28 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 3gqv s ALA 93 CO 0.00 0.58 0.40 -0.65 0.00 0.00 0.00 175.76 176.09 3gqv s GLN 94 N -0.87 3.16 -0.80 0.00 -1.52 0.32 -4.55 119.66 115.41 3gqv s GLN 94 Ca 0.13 -0.97 -0.12 0.00 -1.95 0.00 0.00 55.36 52.45 3gqv s GLN 94 Cb -0.11 -2.79 0.21 0.00 -0.22 0.00 0.00 33.01 30.10 3gqv s GLN 94 CO 0.02 0.20 0.72 1.21 -0.25 0.00 0.00 175.29 177.18 3gqv s ASN 95 N -4.08 6.49 0.50 5.90 2.47 -1.26 -4.62 114.94 120.34 3gqv s ASN 95 Ca 0.41 -2.75 -0.22 0.00 0.42 0.00 0.00 52.86 50.72 3gqv s ASN 95 Cb -0.09 -2.14 -0.06 0.00 -1.45 0.00 0.00 41.25 37.50 3gqv s ASN 95 CO 0.30 -0.53 1.20 -1.83 -3.72 0.00 0.00 177.10 172.52 3gqv s GLU 96 N 0.08 3.50 -1.42 0.43 -1.05 -1.26 -3.56 118.70 115.43 3gqv s GLU 96 Ca 0.18 1.84 -0.10 0.00 -0.15 0.00 0.00 54.97 56.75 3gqv s GLU 96 Cb -0.12 -2.27 0.03 0.00 -0.44 0.00 0.00 34.13 31.33 3gqv s GLU 96 CO -0.08 -0.78 1.07 -1.33 0.95 0.00 0.00 175.26 175.09 3gqv n MET 97 N -0.82 -7.05 -3.24 -4.83 2.81 -0.81 -4.96 117.12 98.23 3gqv n MET 97 Ca 0.09 0.78 -0.41 0.00 -1.81 0.00 0.00 57.70 56.35 3gqv n MET 97 Cb 0.48 -5.78 -0.08 0.00 -0.71 0.00 0.00 33.22 27.13 3gqv n MET 97 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gqv h PRO 99 N 8.32 0.34 0.00 0.00 0.11 -1.94 -0.95 132.00 137.88 3gqv h PRO 99 Ca -0.28 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.80 3gqv h PRO 99 Cb 1.13 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 3gqv h PRO 99 CO 0.75 0.22 -0.02 -0.09 -0.21 0.00 0.00 178.00 178.65 3gqv h ARG 100 N 0.35 0.00 -2.05 1.05 2.43 -2.00 -3.36 114.38 110.80 3gqv h ARG 100 Ca 0.25 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.91 3gqv h ARG 100 Cb 0.52 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.67 3gqv h ARG 100 CO -0.06 0.02 -1.08 0.25 -1.51 0.00 0.00 179.97 177.59 3gqv n THR 101 N -3.12 0.34 0.49 0.20 -2.24 -0.38 -4.96 114.28 104.62 3gqv n THR 101 Ca 0.02 -4.69 0.11 0.00 -2.27 0.00 0.00 64.05 57.22 3gqv n THR 101 Cb 0.39 -0.70 0.45 0.00 -2.10 0.00 0.00 70.33 68.36 3gqv n THR 101 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3gqv n PRO 102 N 0.36 0.15 -0.21 -0.78 -0.04 -1.10 -1.65 135.00 131.73 3gqv n PRO 102 Ca 0.26 0.33 0.07 0.00 -0.04 0.00 0.00 63.50 64.12 3gqv n PRO 102 Cb 0.59 -1.76 0.20 0.00 -0.04 0.00 0.00 33.50 32.50 3gqv n PRO 102 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3gqv n ASP 103 N -2.03 2.28 -4.14 3.54 5.75 -1.26 -1.11 116.55 119.58 3gqv n ASP 103 Ca 0.03 -1.98 -0.33 0.00 -0.01 0.00 0.00 54.79 52.50 3gqv n ASP 103 Cb 0.25 -0.28 -0.15 0.00 -1.03 0.00 0.00 41.12 39.91 3gqv n ASP 103 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3gqv s GLN 104 N -1.45 2.79 -0.00 0.11 -0.21 -0.66 -4.18 119.66 116.06 3gqv s GLN 104 Ca 0.29 -0.98 -0.28 0.00 0.02 0.00 0.00 55.36 54.40 3gqv s GLN 104 Cb 0.15 -2.77 0.10 0.00 1.00 0.00 0.00 33.01 31.50 3gqv s GLN 104 CO 0.20 -0.34 0.86 0.20 -2.12 0.00 0.00 175.29 174.09 3gqv s GLY 105 N 1.26 -0.47 0.35 3.09 0.00 -1.26 -4.58 107.32 105.71 3gqv s GLY 105 Ca 0.00 1.06 0.13 0.00 0.00 0.00 0.00 44.72 45.92 3gqv s GLY 105 CO -0.09 0.40 1.78 0.00 0.00 0.00 0.00 173.10 175.19 3gqv h ALA 106 N 2.08 1.26 -0.61 3.20 0.00 -1.17 -3.33 119.26 120.69 3gqv h ALA 106 Ca -0.23 -0.39 -0.74 0.00 0.00 0.00 0.00 54.91 53.56 3gqv h ALA 106 Cb 1.24 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 3gqv h ALA 106 CO 0.32 0.53 2.52 1.19 0.00 0.00 0.00 179.25 183.81 3gqv n PHE 107 N -3.98 2.70 -3.89 0.00 3.72 -0.55 -4.83 117.46 110.62 3gqv n PHE 107 Ca -0.02 -2.85 -0.09 0.00 -0.05 0.00 0.00 57.45 54.45 3gqv n PHE 107 Cb 0.46 -1.98 -0.08 0.00 -0.94 0.00 0.00 39.48 36.94 3gqv n PHE 107 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3gqv s SER 108 N 0.84 0.18 0.26 4.37 1.04 -1.25 -0.58 113.70 118.56 3gqv s SER 108 Ca 0.52 -0.69 0.07 0.00 0.48 0.00 0.00 55.95 56.32 3gqv s SER 108 Cb 0.16 0.31 0.33 0.00 0.10 0.00 0.00 66.02 66.92 3gqv s SER 108 CO -0.06 -0.70 1.60 1.56 0.98 0.00 0.00 173.24 176.62 3gqv h GLN 109 N 2.85 0.17 -3.94 4.02 4.20 -1.77 -3.42 115.11 117.21 3gqv h GLN 109 Ca -0.34 -0.11 -0.41 0.00 0.06 0.00 0.00 58.65 57.85 3gqv h GLN 109 Cb 1.19 0.01 -0.35 0.00 0.30 0.00 0.00 27.48 28.64 3gqv h GLN 109 CO 0.57 0.69 -0.77 0.71 -0.67 0.00 0.00 178.83 179.37 3gqv s TYR 110 N -3.79 0.72 0.38 2.96 2.02 -1.26 -1.51 117.35 116.87 3gqv s TYR 110 Ca -0.03 -0.20 0.06 0.00 -0.37 0.00 0.00 57.07 56.53 3gqv s TYR 110 Cb 0.12 -0.69 -0.02 0.00 -0.40 0.00 0.00 41.96 40.98 3gqv s TYR 110 CO 0.78 -0.22 0.21 -0.08 -1.57 0.00 0.00 175.55 174.67 3gqv s THR 111 N 1.15 0.28 0.13 -0.71 -1.32 -0.74 -4.64 115.64 109.78 3gqv s THR 111 Ca -0.07 -2.00 0.10 0.00 -1.21 0.00 0.00 61.69 58.50 3gqv s THR 111 Cb -0.14 -2.38 -0.04 0.00 -1.51 0.00 0.00 72.50 68.43 3gqv s THR 111 CO -0.01 0.00 -0.24 0.68 -2.21 0.00 0.00 174.62 172.84 3gqv s VAL 112 N -3.29 2.05 0.67 5.08 -7.23 -1.26 -0.57 120.40 115.85 3gqv s VAL 112 Ca 0.31 -1.73 -0.17 0.00 -1.81 0.00 0.00 61.98 58.58 3gqv s VAL 112 Cb 0.02 -1.85 0.00 0.00 0.56 0.00 0.00 36.38 35.11 3gqv s VAL 112 CO 0.21 -0.02 1.20 0.42 -0.31 0.00 0.00 175.10 176.60 3gqv s THR 113 N -1.24 2.53 -0.07 5.32 -4.23 -0.90 -4.97 115.64 112.08 3gqv s THR 113 Ca 0.12 0.29 0.03 0.00 -1.18 0.00 0.00 61.69 60.95 3gqv s THR 113 Cb -0.09 -2.95 0.01 0.00 1.34 0.00 0.00 72.50 70.81 3gqv s THR 113 CO 0.06 -0.11 -0.16 -0.60 -0.54 0.00 0.00 174.62 173.27 3gqv s ARG 114 N -3.69 2.06 5.69 3.99 3.52 -1.26 -4.72 118.95 124.55 3gqv s ARG 114 Ca 0.75 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 3gqv s ARG 114 Cb -0.29 -1.65 0.00 0.00 -1.56 0.00 0.00 34.95 31.45 3gqv s ARG 114 CO 0.40 0.07 0.00 0.41 -0.81 0.00 0.00 175.30 175.37 3gqv n GLY 115 N 3.71 3.17 1.62 8.12 0.00 -1.26 -1.91 105.19 118.65 3gqv n GLY 115 Ca -0.22 -0.14 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 3gqv n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqv n ARG 116 N 14.00 2.63 -2.56 1.61 5.12 -1.26 -4.89 116.66 131.31 3gqv n ARG 116 Ca 0.00 -3.73 -0.41 0.00 -1.93 0.00 0.00 57.85 51.77 3gqv n ARG 116 Cb 0.00 -1.90 0.01 0.00 -1.16 0.00 0.00 32.46 29.41 3gqv n ARG 116 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3gqv n VAL 117 N -0.77 5.59 -3.62 1.55 0.31 -0.80 -4.55 118.33 116.03 3gqv n VAL 117 Ca 0.31 -5.48 -0.03 0.00 -0.01 0.00 0.00 64.34 59.13 3gqv n VAL 117 Cb 0.88 -1.86 -0.01 0.00 -0.91 0.00 0.00 33.84 31.93 3gqv n VAL 117 CO 0.00 0.00 0.00 -1.66 -1.32 0.00 0.00 176.83 173.85 3gqv s TRP 118 N -2.86 -0.15 0.24 3.52 1.48 -1.26 -2.07 118.94 117.84 3gqv s TRP 118 Ca 0.40 -0.00 -0.17 0.00 -1.06 0.00 0.00 56.10 55.27 3gqv s TRP 118 Cb 0.15 0.56 0.02 0.00 -1.16 0.00 0.00 33.47 33.03 3gqv s TRP 118 CO -0.05 -0.45 0.56 0.00 -4.06 0.00 0.00 176.95 172.95 3gqv s ALA 119 N -2.78 -0.80 0.25 2.67 0.00 -0.45 -4.89 121.76 115.75 3gqv s ALA 119 Ca 0.11 -0.45 -0.30 0.00 0.00 0.00 0.00 51.96 51.32 3gqv s ALA 119 Cb 0.01 0.92 -0.09 0.00 0.00 0.00 0.00 23.12 23.96 3gqv s ALA 119 CO -0.04 -0.89 1.04 0.15 0.00 0.00 0.00 175.76 176.03 3gqv s LYS 120 N -3.93 4.71 0.13 0.00 1.02 -1.26 -1.06 119.74 119.34 3gqv s LYS 120 Ca 0.14 1.67 -0.31 0.00 0.02 0.00 0.00 55.97 57.49 3gqv s LYS 120 Cb -0.02 -3.24 -0.08 0.00 -0.52 0.00 0.00 37.83 33.97 3gqv s LYS 120 CO 0.04 0.30 1.40 0.42 -0.92 0.00 0.00 175.35 176.59 3gqv s ILE 121 N -0.99 3.22 0.49 2.17 1.01 0.02 -4.84 121.20 122.29 3gqv s ILE 121 Ca 0.44 0.88 -0.24 0.00 0.00 0.00 0.00 60.65 61.74 3gqv s ILE 121 Cb -0.29 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.54 3gqv s ILE 121 CO 0.37 0.07 1.41 -2.84 0.00 0.00 0.00 174.94 173.95 3gqv s PRO 122 N 1.01 3.45 0.33 2.79 0.02 -1.26 -4.86 135.00 136.48 3gqv s PRO 122 Ca 0.65 2.37 0.11 0.00 0.02 0.00 0.00 61.00 64.14 3gqv s PRO 122 Cb -0.38 -2.49 1.00 0.00 0.02 0.00 0.00 34.50 32.66 3gqv s PRO 122 CO 0.31 -0.99 1.63 -0.22 -0.33 0.00 0.00 177.00 177.40 3gqv h LYS 123 N 1.96 0.18 0.00 5.54 3.64 -1.97 -1.02 116.57 124.90 3gqv h LYS 123 Ca -0.51 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.86 3gqv h LYS 123 Cb 1.28 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3gqv h LYS 123 CO 0.59 0.12 0.00 0.41 -2.27 0.00 0.00 179.45 178.30 3gqv n GLY 124 N -1.33 -1.13 3.77 5.01 0.00 -1.26 -4.81 105.19 105.43 3gqv n GLY 124 Ca 0.29 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 3gqv n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqv s LEU 125 N -2.47 3.86 0.68 0.99 1.02 -0.39 -5.13 118.68 117.24 3gqv s LEU 125 Ca 0.29 0.16 -0.09 0.00 0.02 0.00 0.00 54.13 54.51 3gqv s LEU 125 Cb 0.18 -2.17 0.03 0.00 0.02 0.00 0.00 46.19 44.25 3gqv s LEU 125 CO 0.40 0.30 1.02 -0.94 0.02 0.00 0.00 176.35 177.15 3gqv s SER 126 N -1.56 5.26 0.24 2.29 1.04 -1.26 -4.80 113.70 114.91 3gqv s SER 126 Ca 0.21 0.81 -0.05 0.00 0.48 0.00 0.00 55.95 57.40 3gqv s SER 126 Cb -0.12 -1.61 0.38 0.00 0.10 0.00 0.00 66.02 64.77 3gqv s SER 126 CO 0.11 -1.37 1.80 -0.26 0.98 0.00 0.00 173.24 174.50 3gqv h PHE 127 N -0.53 0.76 -0.31 5.02 0.04 -1.98 -1.33 116.94 118.61 3gqv h PHE 127 Ca -0.45 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.33 3gqv h PHE 127 Cb 1.28 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 3gqv h PHE 127 CO 0.43 0.30 0.12 0.93 -0.60 0.00 0.00 178.31 179.49 3gqv h GLU 128 N 0.71 0.47 -0.58 1.51 3.07 -1.94 0.34 114.58 118.16 3gqv h GLU 128 Ca 0.38 -0.09 -0.02 0.00 -0.50 0.00 0.00 59.36 59.13 3gqv h GLU 128 Cb 0.37 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.18 3gqv h GLU 128 CO -0.26 0.49 0.28 1.96 -1.40 0.00 0.00 179.01 180.08 3gqv h GLN 129 N 0.35 0.84 -0.46 2.33 4.20 -1.90 -2.98 115.11 117.49 3gqv h GLN 129 Ca 0.10 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 3gqv h GLN 129 Cb 0.20 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3gqv h GLN 129 CO -0.01 0.68 -0.17 0.00 -0.67 0.00 0.00 178.83 178.66 3gqv h ALA 130 N 1.11 0.64 0.00 3.87 0.00 -1.08 -3.00 119.26 120.80 3gqv h ALA 130 Ca 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gqv h ALA 130 Cb 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 3gqv h ALA 130 CO -0.03 0.59 -0.00 0.00 0.00 0.00 0.00 179.25 179.81 3gqv h ALA 131 N 0.86 1.76 0.00 0.00 0.00 -0.90 -2.10 119.26 118.88 3gqv h ALA 131 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gqv h ALA 131 Cb 0.73 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3gqv h ALA 131 CO 0.06 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3gqv n ALA 132 N -2.43 1.58 -0.08 0.00 0.00 -1.13 -4.14 120.51 114.31 3gqv n ALA 132 Ca -0.03 0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.26 3gqv n ALA 132 Cb 0.09 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.10 3gqv n ALA 132 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gqv n LEU 133 N -1.94 2.80 -0.04 0.00 4.77 -0.79 -4.67 117.00 117.12 3gqv n LEU 133 Ca 0.02 -0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.92 3gqv n LEU 133 Cb 0.18 -0.96 -0.02 0.00 -2.33 0.00 0.00 43.42 40.30 3gqv n LEU 133 CO 0.16 0.90 0.75 -0.65 -1.33 0.00 0.00 177.39 177.22 3gqv h PRO 134 N 0.03 -0.15 -0.77 3.23 0.11 -1.74 0.04 132.00 132.75 3gqv h PRO 134 Ca -0.52 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3gqv h PRO 134 Cb 1.96 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 33.06 3gqv h PRO 134 CO -0.02 -0.10 0.43 0.00 -0.21 0.00 0.00 178.00 178.10 3gqv h ALA 135 N 0.98 1.32 -0.15 -0.75 0.00 -1.89 -0.89 119.26 117.87 3gqv h ALA 135 Ca 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3gqv h ALA 135 Cb 0.34 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3gqv h ALA 135 CO -0.31 0.57 0.08 0.78 0.00 0.00 0.00 179.25 180.37 3gqv h GLY 136 N 1.10 0.22 0.86 0.00 0.00 -1.59 0.86 103.07 104.52 3gqv h GLY 136 Ca 0.27 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 3gqv h GLY 136 CO -0.05 0.09 0.01 -2.22 0.00 0.00 0.00 176.54 174.38 3gqv h ILE 137 N 0.14 1.12 -0.05 2.60 2.04 -0.75 -0.78 117.51 121.83 3gqv h ILE 137 Ca 0.05 -0.36 0.03 0.00 1.00 0.00 0.00 64.86 65.58 3gqv h ILE 137 Cb 0.07 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3gqv h ILE 137 CO -0.01 0.10 -0.11 0.28 0.00 0.00 0.00 178.15 178.41 3gqv h SER 138 N -0.09 -0.33 -0.47 1.72 0.02 -1.09 -1.53 113.55 111.77 3gqv h SER 138 Ca 0.01 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 60.96 3gqv h SER 138 Cb 0.15 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 3gqv h SER 138 CO -0.00 -0.15 0.07 0.74 -1.14 0.00 0.00 176.83 176.34 3gqv h THR 139 N -0.16 1.25 -0.49 -2.27 2.02 -0.76 -1.60 112.91 110.89 3gqv h THR 139 Ca 0.06 -0.93 0.05 0.00 0.77 0.00 0.00 66.41 66.36 3gqv h THR 139 Cb 0.25 0.94 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 3gqv h THR 139 CO -0.15 0.33 0.22 0.00 0.37 0.00 0.00 175.52 176.28 3gqv h ALA 140 N 0.95 0.61 -0.31 6.16 0.00 -1.00 0.11 119.26 125.79 3gqv h ALA 140 Ca 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3gqv h ALA 140 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3gqv h ALA 140 CO 0.01 -0.16 0.16 0.78 0.00 0.00 0.00 179.25 180.04 3gqv h GLY 141 N 0.42 0.47 1.10 0.00 0.00 -1.08 -1.35 103.07 102.64 3gqv h GLY 141 Ca 0.22 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3gqv h GLY 141 CO -0.19 0.22 0.26 1.41 0.00 0.00 0.00 176.54 178.24 3gqv h LEU 142 N 0.37 1.05 -0.35 3.11 3.38 -0.88 -1.11 115.31 120.89 3gqv h LEU 142 Ca 0.11 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3gqv h LEU 142 Cb 0.10 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3gqv h LEU 142 CO -0.02 0.95 0.10 0.00 0.09 0.00 0.00 178.44 179.57 3gqv h ALA 143 N 1.19 0.46 -0.91 1.53 0.00 -0.58 -0.87 119.26 120.07 3gqv h ALA 143 Ca 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3gqv h ALA 143 Cb 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 3gqv h ALA 143 CO -0.01 0.11 0.51 0.52 0.00 0.00 0.00 179.25 180.37 3gqv h MET 144 N 0.41 1.26 -0.01 0.00 2.86 -1.03 -0.25 114.93 118.17 3gqv h MET 144 Ca 0.11 -0.14 0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3gqv h MET 144 Cb 0.27 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 3gqv h MET 144 CO -0.00 0.91 -0.03 -0.22 1.06 0.00 0.00 176.91 178.63 3gqv h LYS 145 N 1.27 -0.05 -0.29 1.72 3.64 -0.90 0.15 116.57 122.12 3gqv h LYS 145 Ca 0.32 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.63 3gqv h LYS 145 Cb 0.00 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3gqv h LYS 145 CO -0.05 -0.03 -0.15 -0.07 -2.27 0.00 0.00 179.45 176.87 3gqv h LEU 146 N -0.05 0.49 -1.05 5.20 3.38 -0.82 -2.08 115.31 120.38 3gqv h LEU 146 Ca 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.85 3gqv h LEU 146 Cb 0.07 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gqv h LEU 146 CO -0.04 0.67 0.00 -0.07 0.09 0.00 0.00 178.44 179.08 3gqv h LEU 147 N 0.46 0.00 -0.61 1.67 3.38 -0.84 -3.47 115.31 115.90 3gqv h LEU 147 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gqv h LEU 147 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3gqv h LEU 147 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 3gqv n GLY 148 N 0.12 0.87 3.40 0.83 0.00 -0.78 -5.03 105.19 104.60 3gqv n GLY 148 Ca 0.02 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 3gqv n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqv s LEU 149 N -0.61 2.78 0.49 0.99 1.43 -0.02 -5.05 118.68 118.70 3gqv s LEU 149 Ca 0.00 -0.28 -0.22 0.00 -1.03 0.00 0.00 54.13 52.59 3gqv s LEU 149 Cb 0.00 -1.62 -0.07 0.00 0.03 0.00 0.00 46.19 44.53 3gqv s LEU 149 CO 0.00 0.20 1.22 -2.16 0.23 0.00 0.00 176.35 175.84 3gqv s PRO 150 N 0.18 3.56 0.61 1.29 0.04 -1.26 -4.27 135.00 135.13 3gqv s PRO 150 Ca -0.07 1.91 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 3gqv s PRO 150 Cb -0.15 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 32.02 3gqv s PRO 150 CO 0.05 -0.76 1.09 -0.51 0.04 0.00 0.00 177.00 176.91 3gqv s LEU 151 N -3.20 3.52 0.72 -3.56 1.43 -1.26 -4.84 118.68 111.49 3gqv s LEU 151 Ca 0.66 1.97 -0.16 0.00 -1.03 0.00 0.00 54.13 55.58 3gqv s LEU 151 Cb -0.32 -4.55 0.02 0.00 0.03 0.00 0.00 46.19 41.37 3gqv s LEU 151 CO 0.38 -1.36 1.14 -2.65 0.23 0.00 0.00 176.35 174.09 3gqv n PRO 152 N -2.00 0.61 -3.07 1.29 -0.02 -1.26 -4.94 135.00 125.61 3gqv n PRO 152 Ca 0.10 0.27 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 3gqv n PRO 152 Cb 0.52 -2.38 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 3gqv n PRO 152 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3gqv s SER 153 N -1.69 6.79 0.12 2.55 0.15 -1.26 -4.95 113.70 115.41 3gqv s SER 153 Ca 0.76 0.96 0.21 0.00 0.70 0.00 0.00 55.95 58.59 3gqv s SER 153 Cb -0.34 -2.38 0.87 0.00 -1.71 0.00 0.00 66.02 62.46 3gqv s SER 153 CO 0.47 -0.26 1.67 -0.81 1.20 0.00 0.00 173.24 175.51 3gqv n PRO 154 N 4.81 0.11 -0.00 5.44 -0.04 -1.26 -3.42 135.00 140.63 3gqv n PRO 154 Ca -0.00 0.27 0.07 0.00 -0.04 0.00 0.00 63.50 63.79 3gqv n PRO 154 Cb 0.50 -1.67 -0.09 0.00 -0.04 0.00 0.00 33.50 32.20 3gqv n PRO 154 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3gqv n SER 155 N -1.87 0.88 -4.77 3.54 3.41 -1.26 -4.94 113.62 108.62 3gqv n SER 155 Ca 0.04 -0.65 -0.33 0.00 -0.26 0.00 0.00 58.87 57.66 3gqv n SER 155 Cb 0.25 1.15 0.06 0.00 -0.26 0.00 0.00 64.21 65.41 3gqv n SER 155 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqv s ALA 156 N -2.50 2.41 -0.47 7.33 0.00 -1.22 -4.98 121.76 122.33 3gqv s ALA 156 Ca 0.03 0.55 0.22 0.00 0.00 0.00 0.00 51.96 52.76 3gqv s ALA 156 Cb 0.10 -3.33 -0.21 0.00 0.00 0.00 0.00 23.12 19.69 3gqv s ALA 156 CO 0.59 -1.38 0.75 -0.25 0.00 0.00 0.00 175.76 175.47 3gqv n ASP 157 N -2.56 0.48 -3.71 0.00 10.43 -1.26 -4.98 116.55 114.95 3gqv n ASP 157 Ca 0.10 -0.34 -0.10 0.00 2.57 0.00 0.00 54.79 57.03 3gqv n ASP 157 Cb 0.52 1.36 -0.03 0.00 1.84 0.00 0.00 41.12 44.81 3gqv n ASP 157 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gqv s GLN 158 N -3.28 1.44 0.73 -1.24 -2.07 -1.26 -5.17 119.66 108.81 3gqv s GLN 158 Ca -0.00 -0.83 -0.14 0.00 -1.82 0.00 0.00 55.36 52.58 3gqv s GLN 158 Cb 0.15 0.55 0.04 0.00 -1.09 0.00 0.00 33.01 32.65 3gqv s GLN 158 CO 0.87 -0.63 1.14 -2.14 -1.32 0.00 0.00 175.29 173.21 3gqv s PRO 159 N -3.86 2.32 0.45 9.60 0.02 -1.26 -4.99 135.00 137.28 3gqv s PRO 159 Ca 0.08 1.47 -0.22 0.00 0.02 0.00 0.00 61.00 62.34 3gqv s PRO 159 Cb -0.02 -1.88 -0.11 0.00 0.02 0.00 0.00 34.50 32.51 3gqv s PRO 159 CO -0.03 -1.63 0.76 -2.30 -0.33 0.00 0.00 177.00 173.47 3gqv n PRO 160 N -2.91 0.89 -3.34 5.54 -0.02 -1.26 -4.90 135.00 129.00 3gqv n PRO 160 Ca 0.11 0.32 -0.38 0.00 -2.02 0.00 0.00 63.50 61.53 3gqv n PRO 160 Cb 0.52 -1.78 -0.06 0.00 -0.02 0.00 0.00 33.50 32.15 3gqv n PRO 160 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3gqv s THR 161 N -1.41 4.90 -0.29 3.45 2.01 -1.26 -4.48 115.64 118.56 3gqv s THR 161 Ca 0.65 1.08 -0.03 0.00 0.31 0.00 0.00 61.69 63.69 3gqv s THR 161 Cb -0.56 -3.84 0.10 0.00 0.01 0.00 0.00 72.50 68.21 3gqv s THR 161 CO 0.56 0.52 0.11 -1.00 -0.69 0.00 0.00 174.62 174.12 3gqv s HIS 162 N -0.76 0.78 0.56 4.92 3.76 -1.26 -5.02 115.29 118.26 3gqv s HIS 162 Ca 0.27 -1.11 0.25 0.00 -0.15 0.00 0.00 55.06 54.32 3gqv s HIS 162 Cb -0.18 -1.15 1.59 0.00 1.11 0.00 0.00 32.58 33.96 3gqv s HIS 162 CO 0.16 -0.82 2.19 0.66 -0.85 0.00 0.00 174.74 176.08 3gqv h SER 163 N 8.30 0.00 -3.62 1.40 4.64 -2.00 -3.29 113.55 118.98 3gqv h SER 163 Ca -0.18 0.00 -0.68 0.00 -0.47 0.00 0.00 61.79 60.46 3gqv h SER 163 Cb 1.02 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 62.84 3gqv h SER 163 CO 0.44 0.00 -0.62 -0.75 -0.87 0.00 0.00 176.83 175.03 3gqv s LYS 164 N -4.80 2.93 0.40 4.77 2.20 -1.26 -5.08 119.74 118.90 3gqv s LYS 164 Ca -0.05 -0.97 -0.27 0.00 -0.36 0.00 0.00 55.97 54.33 3gqv s LYS 164 Cb 0.16 -3.40 -0.10 0.00 -1.51 0.00 0.00 37.83 32.98 3gqv s LYS 164 CO 0.60 -0.52 1.36 -2.30 -0.36 0.00 0.00 175.35 174.13 3gqv n PRO 165 N 4.85 2.22 -3.63 4.03 -0.02 -1.24 -4.97 135.00 136.24 3gqv n PRO 165 Ca -0.14 0.79 -0.40 0.00 -2.02 0.00 0.00 63.50 61.73 3gqv n PRO 165 Cb 0.47 -2.49 -0.11 0.00 -0.02 0.00 0.00 33.50 31.35 3gqv n PRO 165 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gqv s VAL 166 N -1.16 4.20 0.31 -1.45 1.01 -1.26 -5.03 120.40 117.02 3gqv s VAL 166 Ca 0.58 -1.26 -0.16 0.00 0.00 0.00 0.00 61.98 61.14 3gqv s VAL 166 Cb -0.50 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.29 3gqv s VAL 166 CO 0.60 -0.40 0.74 -0.31 0.00 0.00 0.00 175.10 175.73 3gqv s TYR 167 N 1.44 3.41 -0.11 5.22 2.02 -1.26 -1.24 117.35 126.83 3gqv s TYR 167 Ca 0.02 1.25 -0.01 0.00 -0.37 0.00 0.00 57.07 57.96 3gqv s TYR 167 Cb -0.22 -2.56 0.03 0.00 -0.40 0.00 0.00 41.96 38.82 3gqv s TYR 167 CO 0.03 0.12 -0.04 0.08 -1.57 0.00 0.00 175.55 174.18 3gqv s VAL 168 N -1.92 0.75 0.07 0.71 1.01 -0.62 -4.37 120.40 116.03 3gqv s VAL 168 Ca 0.53 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 3gqv s VAL 168 Cb -0.11 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 3gqv s VAL 168 CO 0.18 0.27 1.08 -0.22 0.00 0.00 0.00 175.10 176.41 3gqv s LEU 169 N 1.81 4.41 -0.30 3.92 2.96 -0.46 -1.22 118.68 129.80 3gqv s LEU 169 Ca 0.04 1.89 0.03 0.00 -0.22 0.00 0.00 54.13 55.88 3gqv s LEU 169 Cb -0.13 -3.58 0.08 0.00 0.50 0.00 0.00 46.19 43.06 3gqv s LEU 169 CO -0.07 -0.31 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.93 3gqv s VAL 170 N 0.66 2.21 -0.35 1.68 1.01 0.49 -0.38 120.40 125.71 3gqv s VAL 170 Ca 0.53 -1.98 -0.24 0.00 0.00 0.00 0.00 61.98 60.29 3gqv s VAL 170 Cb -0.26 -2.47 0.01 0.00 0.00 0.00 0.00 36.38 33.65 3gqv s VAL 170 CO 0.30 -0.32 0.81 -0.47 0.00 0.00 0.00 175.10 175.42 3gqv s TYR 171 N 1.01 3.12 0.00 5.22 5.04 0.20 -1.97 117.35 129.97 3gqv s TYR 171 Ca 0.01 0.64 0.00 0.00 -2.44 0.00 0.00 57.07 55.28 3gqv s TYR 171 Cb -0.19 -3.41 0.00 0.00 0.35 0.00 0.00 41.96 38.70 3gqv s TYR 171 CO -0.07 -0.72 0.00 0.41 -1.34 0.00 0.00 175.55 173.83 3gqv n GLY 172 N 4.44 0.77 0.00 8.97 0.00 -0.44 -1.09 105.19 117.85 3gqv n GLY 172 Ca 0.04 -0.53 0.10 0.00 0.00 0.00 0.00 46.02 45.63 3gqv n GLY 172 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqv n GLY 173 N -0.13 -1.24 0.85 -0.02 0.00 0.84 -2.18 105.19 103.29 3gqv n GLY 173 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.06 3gqv n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gqv n SER 174 N -1.50 2.76 -4.73 1.61 3.41 -1.26 -4.35 113.62 109.56 3gqv n SER 174 Ca 0.05 -1.88 -0.37 0.00 -0.26 0.00 0.00 58.87 56.41 3gqv n SER 174 Cb 0.25 0.08 0.07 0.00 -0.26 0.00 0.00 64.21 64.35 3gqv n SER 174 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3gqv s THR 175 N -2.00 2.05 0.24 6.66 -4.23 -0.93 -4.20 115.64 113.22 3gqv s THR 175 Ca 0.25 0.03 -0.06 0.00 -1.18 0.00 0.00 61.69 60.74 3gqv s THR 175 Cb 0.19 -3.01 0.21 0.00 1.34 0.00 0.00 72.50 71.23 3gqv s THR 175 CO 0.33 -0.01 1.71 0.00 -0.54 0.00 0.00 174.62 176.12 3gqv h ALA 176 N 0.55 0.96 -0.26 3.99 0.00 -1.90 -1.83 119.26 120.77 3gqv h ALA 176 Ca -0.51 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3gqv h ALA 176 Cb 1.34 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3gqv h ALA 176 CO 0.53 -0.26 0.15 1.15 0.00 0.00 0.00 179.25 180.82 3gqv h THR 177 N 0.36 1.10 -0.62 0.00 2.02 -1.92 -3.15 112.91 110.72 3gqv h THR 177 Ca 0.39 -0.26 -0.04 0.00 0.77 0.00 0.00 66.41 67.28 3gqv h THR 177 Cb 0.61 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3gqv h THR 177 CO -0.43 0.10 0.22 0.00 0.37 0.00 0.00 175.52 175.79 3gqv h ALA 178 N 1.04 1.24 -0.27 6.16 0.00 -1.60 -0.41 119.26 125.42 3gqv h ALA 178 Ca 0.09 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3gqv h ALA 178 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3gqv h ALA 178 CO -0.02 0.55 -0.25 1.79 0.00 0.00 0.00 179.25 181.32 3gqv h THR 179 N 0.89 1.27 -0.02 0.00 1.35 -1.34 0.21 112.91 115.27 3gqv h THR 179 Ca 0.21 -1.28 -0.11 0.00 -0.55 0.00 0.00 66.41 64.68 3gqv h THR 179 Cb 0.21 1.34 0.01 0.00 -1.73 0.00 0.00 68.15 67.97 3gqv h THR 179 CO -0.02 0.41 -0.40 0.58 -0.25 0.00 0.00 175.52 175.85 3gqv h VAL 180 N 0.46 1.47 -0.70 6.82 2.07 -1.49 -3.24 116.25 121.64 3gqv h VAL 180 Ca 0.07 -1.93 0.02 0.00 0.82 0.00 0.00 66.70 65.67 3gqv h VAL 180 Cb 0.68 2.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.99 3gqv h VAL 180 CO 0.05 0.55 0.45 0.74 0.02 0.00 0.00 177.57 179.38 3gqv h THR 181 N -0.26 1.13 -0.17 2.57 2.02 -0.87 -2.50 112.91 114.84 3gqv h THR 181 Ca -0.04 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 66.76 3gqv h THR 181 Cb 1.11 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3gqv h THR 181 CO 0.08 0.16 -0.19 0.24 0.37 0.00 0.00 175.52 176.18 3gqv h MET 182 N 0.90 0.29 -0.47 6.66 2.07 -0.68 0.18 114.93 123.87 3gqv h MET 182 Ca 0.27 -0.08 -0.04 0.00 -2.07 0.00 0.00 59.70 57.78 3gqv h MET 182 Cb -0.04 -0.03 -0.02 0.00 -1.87 0.00 0.00 31.60 29.64 3gqv h MET 182 CO -0.08 0.48 0.13 1.96 1.07 0.00 0.00 176.91 180.46 3gqv h GLN 183 N 0.27 0.75 -0.51 1.72 4.20 -1.14 -1.80 115.11 118.60 3gqv h GLN 183 Ca 0.05 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 3gqv h GLN 183 Cb 0.49 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.15 3gqv h GLN 183 CO 0.03 0.72 0.00 0.52 -0.67 0.00 0.00 178.83 179.44 3gqv h MET 184 N 0.63 0.90 -0.53 1.46 2.86 -0.95 -1.46 114.93 117.84 3gqv h MET 184 Ca 0.15 -0.29 0.04 0.00 -2.06 0.00 0.00 59.70 57.55 3gqv h MET 184 Cb 0.30 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 3gqv h MET 184 CO -0.00 0.93 0.28 -0.07 1.06 0.00 0.00 176.91 179.10 3gqv h LEU 185 N 0.76 0.40 -0.53 1.22 3.38 -0.57 -1.63 115.31 118.35 3gqv h LEU 185 Ca 0.14 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.17 3gqv h LEU 185 Cb 0.52 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3gqv h LEU 185 CO 0.03 0.28 0.31 0.03 0.09 0.00 0.00 178.44 179.17 3gqv h ARG 186 N 0.53 0.60 -0.12 1.13 2.47 -1.12 -0.64 114.38 117.22 3gqv h ARG 186 Ca 0.23 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.90 3gqv h ARG 186 Cb 0.13 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.31 3gqv h ARG 186 CO -0.16 0.40 0.02 -0.07 0.56 0.00 0.00 179.97 180.72 3gqv h LEU 187 N 0.62 0.15 -0.82 3.04 3.38 -0.68 -1.66 115.31 119.32 3gqv h LEU 187 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3gqv h LEU 187 Cb 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gqv h LEU 187 CO -0.10 0.17 0.00 -1.20 0.09 0.00 0.00 178.44 177.39 3gqv n SER 188 N -4.45 1.27 0.00 -0.43 7.64 -0.67 -4.30 113.62 112.67 3gqv n SER 188 Ca -0.01 -1.47 0.00 0.00 1.01 0.00 0.00 58.87 58.40 3gqv n SER 188 Cb 0.13 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 3gqv n SER 188 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3gqv n GLY 189 N 1.13 0.77 3.93 0.23 0.00 -0.62 -4.44 105.19 106.19 3gqv n GLY 189 Ca 0.19 -0.28 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 3gqv n GLY 189 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gqv s TYR 190 N -2.00 3.33 -0.38 1.61 1.51 -0.29 -4.70 117.35 116.44 3gqv s TYR 190 Ca 0.00 -0.06 -0.00 0.00 -1.01 0.00 0.00 57.07 56.00 3gqv s TYR 190 Cb 0.00 -1.55 0.10 0.00 -0.11 0.00 0.00 41.96 40.40 3gqv s TYR 190 CO 0.00 0.43 0.13 0.42 -1.11 0.00 0.00 175.55 175.43 3gqv s ILE 191 N -2.04 2.91 0.23 2.71 -1.09 -0.38 -3.87 121.20 119.68 3gqv s ILE 191 Ca 0.34 -2.10 -0.30 0.00 -2.23 0.00 0.00 60.65 56.37 3gqv s ILE 191 Cb -0.09 -3.01 -0.09 0.00 -1.58 0.00 0.00 42.46 37.70 3gqv s ILE 191 CO 0.28 -0.61 1.10 -2.84 -1.23 0.00 0.00 174.94 171.64 3gqv s PRO 192 N 1.07 4.62 -0.12 2.79 0.02 -1.26 -1.59 135.00 140.53 3gqv s PRO 192 Ca 0.08 1.76 0.02 0.00 0.02 0.00 0.00 61.00 62.87 3gqv s PRO 192 Cb -0.21 -3.23 -0.01 0.00 0.02 0.00 0.00 34.50 31.07 3gqv s PRO 192 CO -0.05 0.16 -0.18 0.42 -0.33 0.00 0.00 177.00 177.01 3gqv s ILE 193 N -0.72 2.55 0.19 2.83 -1.09 -0.36 -0.50 121.20 124.11 3gqv s ILE 193 Ca 0.47 -0.84 0.11 0.00 -2.23 0.00 0.00 60.65 58.16 3gqv s ILE 193 Cb -0.31 -2.03 -0.04 0.00 -1.58 0.00 0.00 42.46 38.50 3gqv s ILE 193 CO 0.38 0.54 -0.21 0.00 -1.23 0.00 0.00 174.94 174.42 3gqv s ALA 194 N 0.41 2.62 -0.06 9.38 0.00 -0.64 -0.38 121.76 133.10 3gqv s ALA 194 Ca -0.14 -1.61 0.05 0.00 0.00 0.00 0.00 51.96 50.27 3gqv s ALA 194 Cb -0.17 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 3gqv s ALA 194 CO 0.06 0.44 -0.22 0.95 0.00 0.00 0.00 175.76 176.99 3gqv s THR 195 N -1.68 1.81 0.03 0.00 -4.23 -0.83 -1.11 115.64 109.63 3gqv s THR 195 Ca 0.22 -0.92 -0.03 0.00 -1.18 0.00 0.00 61.69 59.77 3gqv s THR 195 Cb -0.08 -1.55 0.01 0.00 1.34 0.00 0.00 72.50 72.22 3gqv s THR 195 CO 0.11 0.51 0.13 0.00 -0.54 0.00 0.00 174.62 174.83 3gqv s SER 197 N -1.32 7.12 0.35 0.00 0.01 -1.26 -3.23 113.70 115.37 3gqv s SER 197 Ca 0.03 1.65 0.17 0.00 1.31 0.00 0.00 55.95 59.10 3gqv s SER 197 Cb -0.00 -2.51 1.15 0.00 0.21 0.00 0.00 66.02 64.87 3gqv s SER 197 CO 0.01 -0.13 1.65 -0.65 0.41 0.00 0.00 173.24 174.52 3gqv h PRO 198 N 2.81 0.25 0.00 12.44 0.11 -1.98 -0.74 132.00 144.89 3gqv h PRO 198 Ca -0.48 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3gqv h PRO 198 Cb 1.19 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3gqv h PRO 198 CO 0.64 0.17 -0.01 1.12 -0.21 0.00 0.00 178.00 179.71 3gqv h HIS 199 N 0.26 0.00 -0.63 0.65 2.07 -2.03 -1.91 115.15 113.56 3gqv h HIS 199 Ca 0.76 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.28 3gqv h HIS 199 Cb 1.82 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.80 3gqv h HIS 199 CO -0.01 0.01 0.00 0.09 -3.07 0.00 0.00 177.93 174.95 3gqv n ASN 200 N -3.11 3.43 -0.20 3.10 3.02 -0.29 -4.54 115.26 116.67 3gqv n ASN 200 Ca -0.01 -1.99 -0.03 0.00 -0.03 0.00 0.00 54.58 52.52 3gqv n ASN 200 Cb 0.23 -0.42 0.07 0.00 -0.61 0.00 0.00 39.78 39.06 3gqv n ASN 200 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3gqv h PHE 201 N 3.80 0.59 -0.59 3.10 -1.00 -1.34 -1.31 116.94 120.18 3gqv h PHE 201 Ca 0.00 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.74 3gqv h PHE 201 Cb 0.87 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 40.23 3gqv h PHE 201 CO 0.42 0.29 0.13 -0.44 -1.61 0.00 0.00 178.31 177.09 3gqv h ASP 202 N 0.60 0.91 0.08 2.17 3.32 -1.81 -1.62 116.42 120.07 3gqv h ASP 202 Ca 0.26 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 57.08 3gqv h ASP 202 Cb 0.15 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3gqv h ASP 202 CO -0.17 0.91 -0.15 0.25 -1.72 0.00 0.00 179.24 178.36 3gqv h LEU 203 N 0.86 -0.42 -0.29 1.55 5.85 -1.79 -0.40 115.31 120.68 3gqv h LEU 203 Ca 0.18 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.99 3gqv h LEU 203 Cb 0.37 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 3gqv h LEU 203 CO 0.00 -0.22 0.07 0.00 -0.34 0.00 0.00 178.44 177.96 3gqv h ALA 204 N 0.57 0.31 -0.75 1.25 0.00 -0.96 -1.98 119.26 117.71 3gqv h ALA 204 Ca 0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3gqv h ALA 204 Cb 0.32 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3gqv h ALA 204 CO -0.09 -0.34 0.38 0.87 0.00 0.00 0.00 179.25 180.07 3gqv h LYS 205 N 0.19 1.05 0.00 0.00 1.57 -1.16 -2.11 116.57 116.11 3gqv h LYS 205 Ca 0.13 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3gqv h LYS 205 Cb 0.13 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3gqv h LYS 205 CO -0.16 0.79 -0.06 0.66 -0.57 0.00 0.00 179.45 180.11 3gqv h SER 206 N 1.05 0.00 -0.45 0.86 4.64 -0.35 -2.61 113.55 116.68 3gqv h SER 206 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 3gqv h SER 206 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3gqv h SER 206 CO -0.04 0.06 0.00 0.54 -0.87 0.00 0.00 176.83 176.53 3gqv n ARG 207 N -3.43 2.49 0.00 4.77 5.12 -0.84 -4.95 116.66 119.81 3gqv n ARG 207 Ca -0.02 -2.26 0.00 0.00 -1.93 0.00 0.00 57.85 53.65 3gqv n ARG 207 Cb 0.20 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 3gqv n ARG 207 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gqv n GLY 208 N 1.26 1.12 3.69 -0.13 0.00 -0.98 -2.25 105.19 107.89 3gqv n GLY 208 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3gqv n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqv s ALA 209 N -1.78 3.64 0.10 4.61 0.00 -0.91 -4.35 121.76 123.06 3gqv s ALA 209 Ca 0.00 1.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.86 3gqv s ALA 209 Cb 0.00 -3.65 -0.06 0.00 0.00 0.00 0.00 23.12 19.41 3gqv s ALA 209 CO 0.00 -1.02 1.50 1.49 0.00 0.00 0.00 175.76 177.72 3gqv h GLU 210 N 8.12 0.62 -4.26 0.00 4.81 -1.14 -3.39 114.58 119.33 3gqv h GLU 210 Ca -0.40 -0.24 -0.17 0.00 -0.13 0.00 0.00 59.36 58.42 3gqv h GLU 210 Cb 1.19 -0.03 -0.17 0.00 0.63 0.00 0.00 28.75 30.36 3gqv h GLU 210 CO 0.92 0.81 -0.69 -1.21 -0.73 0.00 0.00 179.01 178.10 3gqv s GLU 211 N -4.75 0.55 0.03 1.92 0.41 -1.26 -5.07 118.70 110.53 3gqv s GLU 211 Ca -0.13 -1.02 0.02 0.00 -0.41 0.00 0.00 54.97 53.43 3gqv s GLU 211 Cb 0.09 0.07 -0.02 0.00 -1.78 0.00 0.00 34.13 32.49 3gqv s GLU 211 CO 0.79 -0.06 -0.08 0.54 -0.49 0.00 0.00 175.26 175.96 3gqv s VAL 212 N -2.93 0.55 0.03 2.63 0.11 -1.26 -1.62 120.40 117.92 3gqv s VAL 212 Ca -0.00 -0.90 0.02 0.00 -2.93 0.00 0.00 61.98 58.16 3gqv s VAL 212 Cb 0.01 -0.58 -0.02 0.00 -1.53 0.00 0.00 36.38 34.25 3gqv s VAL 212 CO -0.06 -0.26 -0.07 -0.36 -3.33 0.00 0.00 175.10 171.02 3gqv s PHE 213 N -1.09 0.64 -0.16 1.54 0.08 -0.27 -4.97 117.98 113.74 3gqv s PHE 213 Ca -0.07 -0.42 -0.29 0.00 0.12 0.00 0.00 56.93 56.27 3gqv s PHE 213 Cb -0.08 -0.38 -0.03 0.00 -0.57 0.00 0.00 43.02 41.95 3gqv s PHE 213 CO 0.00 -0.07 1.54 0.34 -0.10 0.00 0.00 175.22 176.94 3gqv s ASP 214 N -1.29 6.59 0.59 1.36 -1.08 -1.25 -1.26 116.67 120.34 3gqv s ASP 214 Ca -0.07 1.80 0.39 0.00 -0.52 0.00 0.00 52.55 54.15 3gqv s ASP 214 Cb -0.08 -2.53 2.14 0.00 -1.46 0.00 0.00 42.92 40.99 3gqv s ASP 214 CO 0.00 -1.05 2.21 0.10 0.52 0.00 0.00 175.17 176.95 3gqv h TYR 215 N 9.79 0.00 0.00 -5.34 -0.00 -1.88 -1.57 116.97 117.97 3gqv h TYR 215 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.40 3gqv h TYR 215 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.88 3gqv h TYR 215 CO 0.88 0.00 0.00 0.54 -0.00 0.00 0.00 178.16 179.58 3gqv n ARG 216 N -2.89 0.13 -1.89 0.10 1.74 -1.26 -4.92 116.66 107.67 3gqv n ARG 216 Ca -0.03 0.12 -0.42 0.00 -0.77 0.00 0.00 57.85 56.76 3gqv n ARG 216 Cb 0.07 -1.66 -0.02 0.00 -1.02 0.00 0.00 32.46 29.83 3gqv n ARG 216 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gqv s ALA 217 N -3.06 3.74 0.25 7.54 0.00 -0.59 -4.91 121.76 124.73 3gqv s ALA 217 Ca 0.12 1.45 -0.31 0.00 0.00 0.00 0.00 51.96 53.21 3gqv s ALA 217 Cb 0.15 -3.62 -0.12 0.00 0.00 0.00 0.00 23.12 19.54 3gqv s ALA 217 CO 0.55 -0.85 1.66 -1.25 0.00 0.00 0.00 175.76 175.88 3gqv s PRO 218 N 0.18 4.12 -1.78 0.00 0.04 -1.26 -2.44 135.00 133.87 3gqv s PRO 218 Ca 0.65 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.28 3gqv s PRO 218 Cb -0.45 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.04 3gqv s PRO 218 CO 0.40 -0.70 0.00 0.09 0.04 0.00 0.00 177.00 176.83 3gqv n ASN 219 N 3.15 -5.68 -0.07 6.66 3.02 -1.26 -4.89 115.26 116.18 3gqv n ASN 219 Ca 0.12 0.06 0.06 0.00 -0.03 0.00 0.00 54.58 54.79 3gqv n ASN 219 Cb 0.36 -4.74 0.41 0.00 -0.61 0.00 0.00 39.78 35.20 3gqv n ASN 219 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3gqv h LEU 220 N 0.00 0.52 -1.67 3.41 5.85 -1.85 -1.84 115.31 119.73 3gqv h LEU 220 Ca -0.47 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3gqv h LEU 220 Cb 1.35 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 3gqv h LEU 220 CO 0.57 0.36 0.18 0.00 -0.34 0.00 0.00 178.44 179.20 3gqv h ALA 221 N 1.69 1.75 -0.48 1.25 0.00 -1.90 -0.42 119.26 121.16 3gqv h ALA 221 Ca 0.22 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3gqv h ALA 221 Cb 0.11 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3gqv h ALA 221 CO -0.06 0.22 0.06 0.37 0.00 0.00 0.00 179.25 179.85 3gqv h GLN 222 N 0.41 0.81 -0.31 0.00 5.75 -1.67 0.12 115.11 120.22 3gqv h GLN 222 Ca 0.11 -0.23 0.03 0.00 -0.15 0.00 0.00 58.65 58.41 3gqv h GLN 222 Cb -0.01 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 3gqv h GLN 222 CO -0.02 0.82 0.12 1.15 -2.65 0.00 0.00 178.83 178.25 3gqv h THR 223 N 0.68 0.94 -0.52 2.39 2.02 -1.15 -0.34 112.91 116.92 3gqv h THR 223 Ca 0.14 -0.09 -0.04 0.00 0.77 0.00 0.00 66.41 67.20 3gqv h THR 223 Cb 0.41 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 3gqv h THR 223 CO 0.01 0.05 0.19 0.40 0.37 0.00 0.00 175.52 176.54 3gqv h ILE 224 N 0.27 1.22 -0.42 3.11 1.08 -0.90 -0.80 117.51 121.08 3gqv h ILE 224 Ca 0.13 -0.72 0.03 0.00 -0.39 0.00 0.00 64.86 63.92 3gqv h ILE 224 Cb 0.09 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 34.51 3gqv h ILE 224 CO -0.12 0.27 0.21 0.03 -0.69 0.00 0.00 178.15 177.85 3gqv h ARG 225 N 0.71 0.41 -0.50 2.37 3.08 -0.44 -1.42 114.38 118.60 3gqv h ARG 225 Ca 0.17 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.16 3gqv h ARG 225 Cb 0.23 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3gqv h ARG 225 CO -0.01 0.27 0.15 1.15 -1.07 0.00 0.00 179.97 180.46 3gqv h THR 226 N 0.42 1.23 -1.01 2.04 2.02 -0.90 0.19 112.91 116.91 3gqv h THR 226 Ca 0.18 -0.78 0.09 0.00 0.77 0.00 0.00 66.41 66.68 3gqv h THR 226 Cb 0.09 0.80 -0.08 0.00 -1.74 0.00 0.00 68.15 67.22 3gqv h THR 226 CO -0.13 0.28 0.64 0.22 0.37 0.00 0.00 175.52 176.91 3gqv h TYR 227 N 0.67 1.18 -0.52 3.16 3.20 -0.74 -1.77 116.97 122.15 3gqv h TYR 227 Ca 0.16 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.06 3gqv h TYR 227 Cb 0.28 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 38.17 3gqv h TYR 227 CO 0.02 0.54 0.00 0.25 -1.64 0.00 0.00 178.16 177.32 3gqv n THR 228 N -4.56 1.60 -3.19 1.81 -2.24 -0.57 -4.92 114.28 102.20 3gqv n THR 228 Ca 0.17 -0.98 -0.23 0.00 -2.27 0.00 0.00 64.05 60.75 3gqv n THR 228 Cb 0.27 -0.01 0.02 0.00 -2.10 0.00 0.00 70.33 68.51 3gqv n THR 228 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3gqv n LYS 229 N 0.82 -4.40 -2.35 -0.78 4.76 -0.67 -1.68 118.16 113.86 3gqv n LYS 229 Ca 0.21 0.73 -0.15 0.00 -2.87 0.00 0.00 58.31 56.22 3gqv n LYS 229 Cb 0.79 -5.54 -0.01 0.00 -1.84 0.00 0.00 35.03 28.43 3gqv n LYS 229 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 3gqv n ASN 230 N -2.45 -4.59 -1.91 4.39 5.15 0.63 -4.84 115.26 111.63 3gqv n ASN 230 Ca -0.07 0.14 0.00 0.00 -0.60 0.00 0.00 54.58 54.05 3gqv n ASN 230 Cb 0.59 -3.89 0.05 0.00 -0.53 0.00 0.00 39.78 36.00 3gqv n ASN 230 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 3gqv n ASN 231 N -1.79 1.65 -4.68 1.20 5.15 -0.68 -2.15 115.26 113.96 3gqv n ASN 231 Ca -0.18 -2.39 -0.42 0.00 -0.60 0.00 0.00 54.58 50.98 3gqv n ASN 231 Cb 0.63 -0.39 -0.03 0.00 -0.53 0.00 0.00 39.78 39.46 3gqv n ASN 231 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 3gqv s LEU 232 N -2.05 4.34 0.00 1.20 2.96 -1.25 -4.74 118.68 119.14 3gqv s LEU 232 Ca 0.34 2.32 0.07 0.00 -0.22 0.00 0.00 54.13 56.63 3gqv s LEU 232 Cb 0.36 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.53 3gqv s LEU 232 CO -0.09 -0.87 0.61 0.54 -1.32 0.00 0.00 176.35 175.22 3gqv n ARG 233 N 6.12 1.07 -3.79 1.98 1.74 -1.26 -0.73 116.66 121.80 3gqv n ARG 233 Ca 0.16 -0.70 -0.21 0.00 -0.77 0.00 0.00 57.85 56.33 3gqv n ARG 233 Cb 0.42 -1.05 -0.17 0.00 -1.02 0.00 0.00 32.46 30.63 3gqv n ARG 233 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3gqv s TYR 234 N -0.79 0.41 -0.09 -1.55 1.51 -1.26 0.02 117.35 115.59 3gqv s TYR 234 Ca 0.07 -0.00 0.00 0.00 -1.01 0.00 0.00 57.07 56.13 3gqv s TYR 234 Cb 0.05 -0.61 0.02 0.00 -0.11 0.00 0.00 41.96 41.31 3gqv s TYR 234 CO 0.12 -0.24 -0.08 0.00 -1.11 0.00 0.00 175.55 174.24 3gqv s ALA 235 N 1.78 1.23 -0.27 3.71 0.00 -0.08 -1.36 121.76 126.77 3gqv s ALA 235 Ca 0.01 -0.46 -0.05 0.00 0.00 0.00 0.00 51.96 51.46 3gqv s ALA 235 Cb -0.13 -0.79 0.01 0.00 0.00 0.00 0.00 23.12 22.22 3gqv s ALA 235 CO -0.04 -0.26 0.03 -1.17 0.00 0.00 0.00 175.76 174.32 3gqv s LEU 236 N 1.42 3.55 -0.47 0.00 2.96 0.48 -0.97 118.68 125.65 3gqv s LEU 236 Ca -0.01 -0.66 -0.14 0.00 -0.22 0.00 0.00 54.13 53.10 3gqv s LEU 236 Cb -0.13 -1.82 0.09 0.00 0.50 0.00 0.00 46.19 44.82 3gqv s LEU 236 CO -0.05 -0.14 0.38 -0.62 -1.32 0.00 0.00 176.35 174.60 3gqv s ASP 237 N 1.47 6.00 0.00 3.68 -1.08 0.07 -0.63 116.67 126.18 3gqv s ASP 237 Ca 0.03 -1.49 0.27 0.00 -0.52 0.00 0.00 52.55 50.84 3gqv s ASP 237 Cb -0.17 -2.13 1.18 0.00 -1.46 0.00 0.00 42.92 40.34 3gqv s ASP 237 CO 0.00 -0.66 1.81 0.00 0.52 0.00 0.00 175.17 176.84 3gqv n ILE 239 N -0.07 0.93 -3.18 0.00 2.08 -1.25 -4.91 119.36 112.97 3gqv n ILE 239 Ca 0.19 -0.27 -0.04 0.00 0.56 0.00 0.00 62.75 63.19 3gqv n ILE 239 Cb 0.29 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.61 3gqv n ILE 239 CO 0.00 0.00 0.00 0.41 0.56 0.00 0.00 176.55 177.52 3gqv n THR 240 N -3.58 -9.17 -4.31 1.39 -1.04 -1.26 -4.97 114.28 91.33 3gqv n THR 240 Ca -0.33 -0.27 -0.20 0.00 -2.04 0.00 0.00 64.05 61.21 3gqv n THR 240 Cb 0.75 -6.35 -0.08 0.00 -1.82 0.00 0.00 70.33 62.84 3gqv n THR 240 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 3gqv n ASN 241 N -1.97 -0.36 -0.34 8.00 0.23 -1.26 -4.89 115.26 114.67 3gqv n ASN 241 Ca -0.05 -3.14 0.03 0.00 -0.53 0.00 0.00 54.58 50.89 3gqv n ASN 241 Cb 0.53 1.53 0.18 0.00 -2.08 0.00 0.00 39.78 39.94 3gqv n ASN 241 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 3gqv h VAL 242 N 1.98 1.01 -0.20 3.53 2.07 -1.96 -1.78 116.25 120.89 3gqv h VAL 242 Ca -0.24 -0.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.82 3gqv h VAL 242 Cb 1.18 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3gqv h VAL 242 CO 0.36 0.19 -0.25 -0.33 0.02 0.00 0.00 177.57 177.56 3gqv h GLU 243 N 1.03 0.53 -0.51 1.57 3.07 -1.99 -2.61 114.58 115.67 3gqv h GLU 243 Ca 0.43 -0.30 -0.12 0.00 -0.50 0.00 0.00 59.36 58.86 3gqv h GLU 243 Cb 0.27 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3gqv h GLU 243 CO -0.20 0.89 -0.17 0.66 -1.40 0.00 0.00 179.01 178.79 3gqv h SER 244 N 0.21 1.03 -0.21 1.42 4.64 -1.86 -1.23 113.55 117.55 3gqv h SER 244 Ca 0.03 -0.37 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 3gqv h SER 244 Cb 0.82 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3gqv h SER 244 CO 0.06 1.17 0.09 0.74 -0.87 0.00 0.00 176.83 178.02 3gqv h THR 245 N 0.89 1.14 -0.51 2.95 2.02 -1.38 -0.98 112.91 117.04 3gqv h THR 245 Ca 0.12 -0.42 0.06 0.00 0.77 0.00 0.00 66.41 66.94 3gqv h THR 245 Cb 0.74 1.04 -0.05 0.00 -1.74 0.00 0.00 68.15 68.15 3gqv h THR 245 CO 0.06 0.14 0.22 0.74 0.37 0.00 0.00 175.52 177.05 3gqv h THR 246 N 0.19 0.89 -0.20 3.16 2.02 -1.33 -1.34 112.91 116.30 3gqv h THR 246 Ca 0.07 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3gqv h THR 246 Cb 0.14 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.96 3gqv h THR 246 CO -0.01 0.08 0.12 0.15 0.37 0.00 0.00 175.52 176.23 3gqv h PHE 247 N 0.43 0.27 -0.49 3.16 3.57 -1.02 -1.81 116.94 121.05 3gqv h PHE 247 Ca 0.23 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 3gqv h PHE 247 Cb 0.20 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 3gqv h PHE 247 CO -0.13 0.22 0.10 0.00 -2.23 0.00 0.00 178.31 176.27 3gqv h PHE 249 N 0.68 1.06 -0.02 0.00 0.04 -1.19 -2.05 116.94 115.46 3gqv h PHE 249 Ca 0.15 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.82 3gqv h PHE 249 Cb 0.36 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3gqv h PHE 249 CO 0.02 0.60 -0.57 0.00 -0.60 0.00 0.00 178.31 177.77 3gqv h ALA 250 N 1.49 1.02 0.00 2.45 0.00 -0.70 -3.22 119.26 120.31 3gqv h ALA 250 Ca 0.36 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.56 3gqv h ALA 250 Cb 0.07 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3gqv h ALA 250 CO -0.12 0.71 -0.94 0.00 0.00 0.00 0.00 179.25 178.90 3gqv h ALA 251 N 1.38 0.43 -2.97 0.00 0.00 -0.77 -3.46 119.26 113.86 3gqv h ALA 251 Ca -0.00 -0.84 -0.54 0.00 0.00 0.00 0.00 54.91 53.52 3gqv h ALA 251 Cb 1.01 -0.12 0.12 0.00 0.00 0.00 0.00 17.79 18.80 3gqv h ALA 251 CO 0.08 1.14 0.66 0.42 0.00 0.00 0.00 179.25 181.55 3gqv s ILE 252 N -2.76 2.16 1.14 0.00 1.01 -0.82 -4.39 121.20 117.55 3gqv s ILE 252 Ca 0.01 0.14 -0.13 0.00 0.00 0.00 0.00 60.65 60.67 3gqv s ILE 252 Cb 0.09 -3.08 0.27 0.00 0.01 0.00 0.00 42.46 39.76 3gqv s ILE 252 CO 0.81 0.01 1.04 -0.83 0.00 0.00 0.00 174.94 175.97 3gqv s GLY 253 N -0.66 1.54 0.53 6.18 0.00 0.09 -4.84 107.32 110.17 3gqv s GLY 253 Ca 0.63 -0.20 0.28 0.00 0.00 0.00 0.00 44.72 45.43 3gqv s GLY 253 CO 0.53 0.51 2.09 0.07 0.00 0.00 0.00 173.10 176.29 3gqv h ARG 254 N -2.51 0.00 -0.01 2.90 0.11 -1.77 -2.37 114.38 110.73 3gqv h ARG 254 Ca -0.61 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.47 3gqv h ARG 254 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.42 3gqv h ARG 254 CO 0.52 0.10 -0.23 0.00 0.10 0.00 0.00 179.97 180.46 3gqv n ALA 255 N -2.26 3.02 0.00 0.08 0.00 -1.26 -4.97 120.51 115.11 3gqv n ALA 255 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.89 3gqv n ALA 255 Cb 0.23 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.69 3gqv n ALA 255 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqv n GLY 256 N 1.33 1.27 0.99 0.00 0.00 -0.89 -4.95 105.19 102.95 3gqv n GLY 256 Ca 0.13 -2.20 0.01 0.00 0.00 0.00 0.00 46.02 43.96 3gqv n GLY 256 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqv n GLY 257 N -0.45 0.38 3.04 -0.02 0.00 -1.15 -4.33 105.19 102.66 3gqv n GLY 257 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 3gqv n GLY 257 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gqv s HIS 258 N -2.26 2.09 -0.24 1.61 2.46 0.10 -1.99 115.29 117.07 3gqv s HIS 258 Ca 0.08 -1.10 -0.10 0.00 0.47 0.00 0.00 55.06 54.41 3gqv s HIS 258 Cb -0.00 -1.53 -0.05 0.00 -0.13 0.00 0.00 32.58 30.87 3gqv s HIS 258 CO -0.01 -0.59 0.14 -0.47 -2.47 0.00 0.00 174.74 171.35 3gqv s TYR 259 N 1.27 3.26 -0.10 3.88 5.04 -0.09 -0.90 117.35 129.71 3gqv s TYR 259 Ca 0.00 0.11 0.03 0.00 -2.44 0.00 0.00 57.07 54.77 3gqv s TYR 259 Cb -0.14 -2.27 0.01 0.00 0.35 0.00 0.00 41.96 39.92 3gqv s TYR 259 CO -0.07 -0.02 -0.18 0.08 -1.34 0.00 0.00 175.55 174.02 3gqv s VAL 260 N 1.19 1.70 0.31 3.14 1.01 -0.15 -1.88 120.40 125.72 3gqv s VAL 260 Ca 0.07 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 61.35 3gqv s VAL 260 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3gqv s VAL 260 CO 0.05 0.48 0.05 -0.94 0.00 0.00 0.00 175.10 174.75 3gqv s SER 261 N 0.72 4.54 0.05 3.32 1.04 -0.64 -0.75 113.70 121.99 3gqv s SER 261 Ca -0.11 -0.75 0.25 0.00 0.48 0.00 0.00 55.95 55.82 3gqv s SER 261 Cb -0.16 -0.76 0.50 0.00 0.10 0.00 0.00 66.02 65.70 3gqv s SER 261 CO 0.02 -0.15 1.42 0.18 0.98 0.00 0.00 173.24 175.69 3gqv n LEU 262 N -1.00 0.54 -4.31 2.42 4.77 -0.84 -1.74 117.00 116.83 3gqv n LEU 262 Ca -0.05 0.14 -0.17 0.00 -0.03 0.00 0.00 56.01 55.90 3gqv n LEU 262 Cb 0.60 -0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 3gqv n LEU 262 CO 0.42 0.04 -0.41 0.20 -1.33 0.00 0.00 177.39 176.30 3gqv s ASN 263 N -3.53 2.23 0.38 -1.43 0.01 -1.26 -4.49 114.94 106.84 3gqv s ASN 263 Ca 0.09 -1.05 -0.27 0.00 -0.71 0.00 0.00 52.86 50.92 3gqv s ASN 263 Cb 0.16 -0.08 -0.11 0.00 0.41 0.00 0.00 41.25 41.63 3gqv s ASN 263 CO 0.69 -0.27 1.32 -2.65 -1.51 0.00 0.00 177.10 174.68 3gqv n PRO 264 N -0.33 2.16 -4.04 -0.60 -0.02 -1.26 -4.83 135.00 126.08 3gqv n PRO 264 Ca -0.08 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 61.84 3gqv n PRO 264 Cb 0.61 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.61 3gqv n PRO 264 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3gqv s PHE 265 N -1.14 3.28 1.10 6.00 -0.71 -1.26 -5.02 117.98 120.24 3gqv s PHE 265 Ca 0.57 0.15 -0.13 0.00 -1.04 0.00 0.00 56.93 56.48 3gqv s PHE 265 Cb -0.53 -1.69 0.25 0.00 -1.21 0.00 0.00 43.02 39.84 3gqv s PHE 265 CO 0.61 0.54 1.06 -2.14 -1.34 0.00 0.00 175.22 173.95 3gqv s PRO 266 N -2.18 -0.40 0.39 1.99 0.02 -1.26 -5.17 135.00 128.39 3gqv s PRO 266 Ca 0.28 0.62 -0.26 0.00 0.02 0.00 0.00 61.00 61.66 3gqv s PRO 266 Cb -0.12 -1.63 -0.09 0.00 0.02 0.00 0.00 34.50 32.68 3gqv s PRO 266 CO 0.20 -3.31 1.20 -2.00 -0.33 0.00 0.00 177.00 172.76 3gqv s GLU 267 N -4.72 4.10 0.02 5.54 2.56 -1.26 -5.05 118.70 119.88 3gqv s GLU 267 Ca 0.67 1.92 -0.28 0.00 0.00 0.00 0.00 54.97 57.28 3gqv s GLU 267 Cb -0.22 -2.75 0.10 0.00 2.00 0.00 0.00 34.13 33.26 3gqv s GLU 267 CO 0.61 -0.31 1.24 -0.08 -0.56 0.00 0.00 175.26 176.17 3gqv s THR 271 N -1.35 0.00 -0.48 -1.70 -1.32 -1.26 -4.99 115.64 104.55 3gqv s THR 271 Ca 0.56 -0.25 0.22 0.00 -1.21 0.00 0.00 61.69 61.01 3gqv s THR 271 Cb -0.33 -2.72 -0.19 0.00 -1.51 0.00 0.00 72.50 67.75 3gqv s THR 271 CO 0.42 0.00 0.84 0.54 -2.21 0.00 0.00 174.62 174.21 3gqv n ARG 272 N -0.77 0.37 -1.63 7.08 1.74 -1.26 -4.97 116.66 117.21 3gqv n ARG 272 Ca -0.00 -0.05 -0.54 0.00 -0.77 0.00 0.00 57.85 56.49 3gqv n ARG 272 Cb 0.60 -1.57 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 3gqv n ARG 272 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3gqv n LYS 273 N -2.03 1.15 -0.71 5.56 0.00 -1.26 -4.76 118.16 116.12 3gqv n LYS 273 Ca 0.00 0.42 -0.22 0.00 0.00 0.00 0.00 58.31 58.51 3gqv n LYS 273 Cb 0.47 -2.07 -0.02 0.00 0.00 0.00 0.00 35.03 33.40 3gqv n LYS 273 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 3gqv n MET 274 N 3.54 1.93 -4.63 1.64 2.81 -1.26 -4.86 117.12 116.30 3gqv n MET 274 Ca 0.21 -1.42 -0.33 0.00 -1.81 0.00 0.00 57.70 54.36 3gqv n MET 274 Cb 0.17 -2.44 -0.15 0.00 -0.71 0.00 0.00 33.22 30.08 3gqv n MET 274 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3gqv s VAL 275 N 3.58 2.56 0.40 2.03 1.01 -1.26 -2.92 120.40 125.80 3gqv s VAL 275 Ca 0.38 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.43 3gqv s VAL 275 Cb 0.10 -2.07 -0.07 0.00 0.00 0.00 0.00 36.38 34.34 3gqv s VAL 275 CO -0.02 0.52 0.79 0.42 0.00 0.00 0.00 175.10 176.81 3gqv s THR 276 N 0.73 4.74 0.02 3.92 -4.23 -0.84 -4.93 115.64 115.05 3gqv s THR 276 Ca -0.07 0.75 0.02 0.00 -1.18 0.00 0.00 61.69 61.20 3gqv s THR 276 Cb -0.16 -3.71 -0.02 0.00 1.34 0.00 0.00 72.50 69.96 3gqv s THR 276 CO 0.01 -0.48 -0.06 0.42 -0.54 0.00 0.00 174.62 173.97 3gqv s THR 277 N -2.33 0.41 0.16 3.99 -4.23 -1.26 -0.91 115.64 111.46 3gqv s THR 277 Ca 0.53 -0.69 -0.14 0.00 -1.18 0.00 0.00 61.69 60.20 3gqv s THR 277 Cb -0.10 -0.44 0.02 0.00 1.34 0.00 0.00 72.50 73.32 3gqv s THR 277 CO 0.29 -0.20 0.39 -1.81 -0.54 0.00 0.00 174.62 172.75 3gqv s ASP 278 N -0.96 -0.13 0.02 3.99 1.01 -0.79 -5.01 116.67 114.80 3gqv s ASP 278 Ca -0.06 -0.55 0.01 0.00 0.71 0.00 0.00 52.55 52.66 3gqv s ASP 278 Cb -0.07 0.49 -0.02 0.00 1.01 0.00 0.00 42.92 44.33 3gqv s ASP 278 CO 0.00 -0.92 -0.04 -1.66 0.21 0.00 0.00 175.17 172.76 3gqv s TRP 279 N -3.88 0.35 0.09 4.23 1.48 -1.26 -1.62 118.94 118.33 3gqv s TRP 279 Ca 0.09 -0.41 -0.30 0.00 -1.06 0.00 0.00 56.10 54.42 3gqv s TRP 279 Cb 0.02 -0.23 -0.06 0.00 -1.16 0.00 0.00 33.47 32.04 3gqv s TRP 279 CO -0.06 -0.12 1.15 0.95 -4.06 0.00 0.00 176.95 174.81 3gqv s THR 280 N -1.12 4.08 -0.38 0.66 -4.23 -0.71 -4.96 115.64 108.99 3gqv s THR 280 Ca -0.11 1.57 -0.06 0.00 -1.18 0.00 0.00 61.69 61.91 3gqv s THR 280 Cb -0.08 -4.00 0.07 0.00 1.34 0.00 0.00 72.50 69.82 3gqv s THR 280 CO -0.00 0.16 0.17 -0.22 -0.54 0.00 0.00 174.62 174.19 3gqv s LEU 281 N 0.66 4.75 0.21 4.79 2.96 -1.26 -4.62 118.68 126.17 3gqv s LEU 281 Ca 0.55 -1.44 -0.10 0.00 -0.22 0.00 0.00 54.13 52.92 3gqv s LEU 281 Cb -0.28 -1.89 0.28 0.00 0.50 0.00 0.00 46.19 44.79 3gqv s LEU 281 CO 0.31 -0.44 1.74 1.23 -1.32 0.00 0.00 176.35 177.87 3gqv h GLY 282 N 8.24 0.85 2.00 7.98 0.00 -1.95 -1.71 103.07 118.48 3gqv h GLY 282 Ca -0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.00 3gqv h GLY 282 CO 0.67 -0.02 -0.00 -2.55 0.00 0.00 0.00 176.54 174.64 3gqv h PRO 283 N 0.41 0.00 0.00 4.80 0.11 -1.95 -2.14 132.00 133.23 3gqv h PRO 283 Ca 0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.42 3gqv h PRO 283 Cb 0.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.48 3gqv h PRO 283 CO -0.30 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.28 3gqv h THR 284 N 0.00 0.00 0.00 -1.15 1.35 -1.62 -2.10 112.91 109.40 3gqv h THR 284 Ca -0.00 -0.08 -0.00 0.00 -0.55 0.00 0.00 66.41 65.77 3gqv h THR 284 Cb 0.08 0.83 -0.00 0.00 -1.73 0.00 0.00 68.15 67.32 3gqv h THR 284 CO 0.00 0.00 -0.02 -0.29 -0.25 0.00 0.00 175.52 174.96 3gqv h ILE 285 N 0.00 0.46 0.00 6.82 6.09 -1.58 -1.84 117.51 127.47 3gqv h ILE 285 Ca 0.00 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.38 3gqv h ILE 285 Cb 0.10 1.07 0.00 0.00 0.47 0.00 0.00 36.82 38.46 3gqv h ILE 285 CO 0.00 0.02 -0.80 0.49 -3.07 0.00 0.00 178.15 174.79 3gqv n PHE 286 N -3.71 0.45 -1.89 2.19 3.01 -0.79 -4.11 117.46 112.61 3gqv n PHE 286 Ca -0.03 0.13 -0.19 0.00 1.01 0.00 0.00 57.45 58.37 3gqv n PHE 286 Cb 0.11 -0.58 -0.05 0.00 -0.01 0.00 0.00 39.48 38.95 3gqv n PHE 286 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gqv n GLY 287 N 1.35 0.91 0.01 1.37 0.00 -0.69 -4.50 105.19 103.64 3gqv n GLY 287 Ca 0.03 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.16 3gqv n GLY 287 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gqv n GLU 288 N -2.55 0.10 0.00 1.61 1.02 -1.26 -1.52 120.64 118.04 3gqv n GLU 288 Ca -0.21 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 3gqv n GLU 288 Cb 0.65 -1.53 0.00 0.00 -0.02 0.00 0.00 31.44 30.54 3gqv n GLU 288 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gqv n GLY 289 N 1.46 0.14 3.34 0.62 0.00 -1.25 -3.88 105.19 105.62 3gqv n GLY 289 Ca 0.04 -2.02 -0.14 0.00 0.00 0.00 0.00 46.02 43.89 3gqv n GLY 289 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3gqv s SER 290 N -0.33 -0.43 0.16 1.61 0.15 -0.21 -4.80 113.70 109.85 3gqv s SER 290 Ca 0.00 0.69 0.24 0.00 0.70 0.00 0.00 55.95 57.58 3gqv s SER 290 Cb 0.00 0.74 0.24 0.00 -1.71 0.00 0.00 66.02 65.29 3gqv s SER 290 CO 0.00 -0.28 1.25 0.00 1.20 0.00 0.00 173.24 175.41 3gqv h THR 291 N 4.12 0.00 -3.30 6.45 1.03 -1.88 0.68 112.91 120.01 3gqv h THR 291 Ca -0.28 -0.67 -0.66 0.00 -0.01 0.00 0.00 66.41 64.80 3gqv h THR 291 Cb 1.17 1.24 -0.12 0.00 -1.07 0.00 0.00 68.15 69.37 3gqv h THR 291 CO 0.28 0.00 -0.63 0.86 -0.01 0.00 0.00 175.52 176.02 3gqv s TRP 292 N -3.23 3.11 0.23 0.00 -0.00 -1.26 -3.94 118.94 113.85 3gqv s TRP 292 Ca 0.04 0.09 -0.19 0.00 -0.00 0.00 0.00 56.10 56.04 3gqv s TRP 292 Cb 0.12 -1.66 -0.08 0.00 -0.00 0.00 0.00 33.47 31.84 3gqv s TRP 292 CO 0.74 0.48 0.72 -1.25 -0.00 0.00 0.00 176.95 177.64 3gqv s PRO 293 N -1.73 4.21 0.59 5.86 0.04 -1.26 -4.34 135.00 138.37 3gqv s PRO 293 Ca 0.21 0.83 -0.17 0.00 0.04 0.00 0.00 61.00 61.91 3gqv s PRO 293 Cb -0.12 -2.83 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 3gqv s PRO 293 CO 0.13 0.37 1.09 0.00 0.04 0.00 0.00 177.00 178.62 3gqv s ALA 294 N -1.58 2.66 0.27 8.56 0.00 -1.26 -1.25 121.76 129.17 3gqv s ALA 294 Ca 0.44 0.57 -0.26 0.00 0.00 0.00 0.00 51.96 52.72 3gqv s ALA 294 Cb -0.16 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.58 3gqv s ALA 294 CO 0.20 -0.88 0.88 -1.25 0.00 0.00 0.00 175.76 174.72 3gqv s PRO 295 N -3.78 4.57 0.00 0.00 0.04 -1.26 -4.85 135.00 129.72 3gqv s PRO 295 Ca 0.67 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.97 3gqv s PRO 295 Cb -0.19 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.39 3gqv s PRO 295 CO 0.34 0.38 0.00 0.66 0.04 0.00 0.00 177.00 178.42 3gqv n TYR 296 N 0.89 0.00 -1.87 0.56 4.01 -1.26 -4.95 117.16 114.54 3gqv n TYR 296 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3gqv n TYR 296 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 3gqv n TYR 296 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gqv n GLY 297 N -1.52 3.05 3.02 2.72 0.00 -0.38 -4.72 105.19 107.36 3gqv n GLY 297 Ca 0.00 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.60 3gqv n GLY 297 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqv s ARG 298 N 0.00 0.54 0.84 1.61 0.52 0.23 -4.72 118.95 117.97 3gqv s ARG 298 Ca 0.00 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 54.61 3gqv s ARG 298 Cb 0.00 -0.44 0.09 0.00 0.52 0.00 0.00 34.95 35.13 3gqv s ARG 298 CO 0.00 0.10 1.09 -1.25 0.02 0.00 0.00 175.30 175.27 3gqv s PRO 299 N -0.83 1.74 0.67 3.54 0.04 -1.26 -1.04 135.00 137.86 3gqv s PRO 299 Ca -0.03 0.73 -0.13 0.00 0.04 0.00 0.00 61.00 61.61 3gqv s PRO 299 Cb -0.06 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.61 3gqv s PRO 299 CO 0.00 -1.88 1.08 0.20 0.04 0.00 0.00 177.00 176.44 3gqv s GLY 300 N -3.69 1.94 -0.14 0.56 0.00 -1.25 -3.82 107.32 100.91 3gqv s GLY 300 Ca 0.62 0.35 -0.14 0.00 0.00 0.00 0.00 44.72 45.54 3gqv s GLY 300 CO 0.55 0.68 0.40 -1.35 0.00 0.00 0.00 173.10 173.38 3gqv s SER 301 N -3.07 -0.41 0.24 1.64 1.04 -0.58 -4.88 113.70 107.69 3gqv s SER 301 Ca 0.63 0.78 -0.02 0.00 0.48 0.00 0.00 55.95 57.82 3gqv s SER 301 Cb -0.17 0.80 0.27 0.00 0.10 0.00 0.00 66.02 67.02 3gqv s SER 301 CO 0.46 -0.15 1.67 -0.08 0.98 0.00 0.00 173.24 176.12 3gqv h GLU 302 N 5.43 0.69 -0.61 4.02 4.57 -1.99 -1.71 114.58 124.98 3gqv h GLU 302 Ca -0.27 -0.26 -0.02 0.00 -1.18 0.00 0.00 59.36 57.63 3gqv h GLU 302 Cb 1.18 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.70 3gqv h GLU 302 CO 0.26 0.84 0.31 1.05 -1.18 0.00 0.00 179.01 180.29 3gqv h GLU 303 N 0.61 0.87 -0.61 1.92 9.09 -1.96 0.36 114.58 124.86 3gqv h GLU 303 Ca 0.09 -0.12 -0.05 0.00 0.05 0.00 0.00 59.36 59.33 3gqv h GLU 303 Cb 0.68 -0.16 -0.03 0.00 -1.65 0.00 0.00 28.75 27.59 3gqv h GLU 303 CO 0.05 0.69 0.18 0.93 0.05 0.00 0.00 179.01 180.91 3gqv h GLU 304 N 0.83 0.96 -0.15 1.06 5.08 -1.86 -0.48 114.58 120.02 3gqv h GLU 304 Ca 0.21 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3gqv h GLU 304 Cb 0.10 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3gqv h GLU 304 CO -0.03 0.86 0.06 -0.09 -1.00 0.00 0.00 179.01 178.81 3gqv h ARG 305 N 0.88 0.14 -0.78 2.33 2.43 -0.64 -1.86 114.38 116.88 3gqv h ARG 305 Ca 0.20 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.32 3gqv h ARG 305 Cb 0.31 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 3gqv h ARG 305 CO -0.00 0.09 0.35 1.96 -1.51 0.00 0.00 179.97 180.85 3gqv h GLN 306 N 0.14 1.14 -0.38 0.20 4.20 -0.17 -2.38 115.11 117.86 3gqv h GLN 306 Ca 0.06 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3gqv h GLN 306 Cb 0.03 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.59 3gqv h GLN 306 CO -0.06 0.90 0.23 0.35 -0.67 0.00 0.00 178.83 179.58 3gqv h PHE 307 N 1.13 0.50 -0.73 2.96 3.04 -0.81 -0.58 116.94 122.45 3gqv h PHE 307 Ca 0.27 -0.00 0.05 0.00 3.98 0.00 0.00 57.97 62.27 3gqv h PHE 307 Cb 0.16 -0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.45 3gqv h PHE 307 CO 0.02 0.35 0.43 0.78 -2.02 0.00 0.00 178.31 177.87 3gqv h GLY 308 N 0.50 1.07 0.94 2.40 0.00 -0.91 0.68 103.07 107.75 3gqv h GLY 308 Ca 0.14 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3gqv h GLY 308 CO -0.03 0.21 0.04 -2.09 0.00 0.00 0.00 176.54 174.68 3gqv h GLU 309 N 0.80 0.68 -0.16 4.80 4.81 -1.20 -1.21 114.58 123.10 3gqv h GLU 309 Ca 0.32 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 3gqv h GLU 309 Cb 0.14 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3gqv h GLU 309 CO -0.16 0.75 0.08 -0.44 -0.73 0.00 0.00 179.01 178.50 3gqv h ASP 310 N 0.52 0.20 -0.65 1.04 3.32 -0.84 -1.03 116.42 118.99 3gqv h ASP 310 Ca 0.12 -0.11 0.08 0.00 0.02 0.00 0.00 57.03 57.14 3gqv h ASP 310 Cb 0.41 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 3gqv h ASP 310 CO 0.01 0.25 0.31 0.25 -1.72 0.00 0.00 179.24 178.35 3gqv h LEU 311 N 0.13 0.41 -0.50 1.55 5.85 -0.73 -1.08 115.31 120.95 3gqv h LEU 311 Ca 0.05 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.66 3gqv h LEU 311 Cb 0.10 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3gqv h LEU 311 CO -0.01 0.25 -0.72 -0.50 -0.34 0.00 0.00 178.44 177.13 3gqv h TRP 312 N 0.56 0.32 -0.42 1.25 4.06 -0.98 0.37 115.95 121.11 3gqv h TRP 312 Ca 0.31 -0.14 -0.03 0.00 2.06 0.00 0.00 58.89 61.09 3gqv h TRP 312 Cb 0.29 -0.05 -0.02 0.00 -1.00 0.00 0.00 29.16 28.39 3gqv h TRP 312 CO -0.11 0.87 0.14 -0.09 -3.56 0.00 0.00 178.44 175.68 3gqv h ARG 313 N 0.16 0.64 0.24 0.49 2.43 -0.84 0.18 114.38 117.69 3gqv h ARG 313 Ca -0.02 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 3gqv h ARG 313 Cb 1.27 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3gqv h ARG 313 CO 0.11 0.62 -0.12 0.82 -1.51 0.00 0.00 179.97 179.90 3gqv h ILE 314 N 0.53 0.82 -0.67 1.20 2.04 -0.88 -2.85 117.51 117.71 3gqv h ILE 314 Ca 0.14 -0.53 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 3gqv h ILE 314 Cb 0.24 1.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.41 3gqv h ILE 314 CO -0.01 0.11 0.17 0.00 0.00 0.00 0.00 178.15 178.42 3gqv h ALA 315 N 0.07 1.03 -0.75 1.87 0.00 -0.27 -1.60 119.26 119.61 3gqv h ALA 315 Ca -0.03 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.72 3gqv h ALA 315 Cb 0.44 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 3gqv h ALA 315 CO 0.05 0.64 0.42 0.78 0.00 0.00 0.00 179.25 181.14 3gqv h GLY 316 N 1.06 1.12 0.93 0.00 0.00 -0.66 0.11 103.07 105.63 3gqv h GLY 316 Ca 0.21 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.20 3gqv h GLY 316 CO 0.00 0.15 0.01 -1.61 0.00 0.00 0.00 176.54 175.09 3gqv h GLN 317 N 0.74 0.66 -0.81 4.80 5.75 -1.20 -1.33 115.11 123.73 3gqv h GLN 317 Ca 0.35 -0.20 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 3gqv h GLN 317 Cb 0.26 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.71 3gqv h GLN 317 CO -0.21 0.75 0.46 -0.07 -2.65 0.00 0.00 178.83 177.11 3gqv h LEU 318 N 0.49 1.00 -0.29 -2.39 3.38 -0.68 0.11 115.31 116.92 3gqv h LEU 318 Ca 0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3gqv h LEU 318 Cb 0.45 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3gqv h LEU 318 CO 0.02 0.80 0.15 0.58 0.09 0.00 0.00 178.44 180.07 3gqv h VAL 319 N 1.12 1.15 -0.81 1.22 2.07 -0.72 0.60 116.25 120.88 3gqv h VAL 319 Ca 0.29 -0.42 0.11 0.00 0.82 0.00 0.00 66.70 67.50 3gqv h VAL 319 Cb 0.01 0.89 -0.08 0.00 -1.52 0.00 0.00 31.29 30.59 3gqv h VAL 319 CO -0.05 0.15 0.44 -0.08 0.02 0.00 0.00 177.57 178.05 3gqv h GLU 320 N 0.34 0.68 -0.01 1.57 4.57 -0.71 -1.94 114.58 119.09 3gqv h GLU 320 Ca 0.10 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3gqv h GLU 320 Cb 0.11 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.55 3gqv h GLU 320 CO -0.01 0.45 -0.01 -0.25 -1.18 0.00 0.00 179.01 178.01 3gqv n ASP 321 N -4.80 0.64 -0.12 1.04 8.00 0.32 -4.90 116.55 116.72 3gqv n ASP 321 Ca 0.14 -1.17 -0.02 0.00 0.71 0.00 0.00 54.79 54.46 3gqv n ASP 321 Cb 0.32 -0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.41 3gqv n ASP 321 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gqv n GLY 322 N 1.09 0.52 0.01 0.44 0.00 -0.73 -4.92 105.19 101.60 3gqv n GLY 322 Ca 0.21 -0.50 0.12 0.00 0.00 0.00 0.00 46.02 45.85 3gqv n GLY 322 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqv n ARG 323 N -2.70 0.05 -3.77 1.61 1.74 0.14 -4.72 116.66 109.01 3gqv n ARG 323 Ca -0.02 0.01 -0.25 0.00 -0.77 0.00 0.00 57.85 56.82 3gqv n ARG 323 Cb 0.08 -1.53 -0.17 0.00 -1.02 0.00 0.00 32.46 29.82 3gqv n ARG 323 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3gqv s LEU 324 N -3.20 0.92 0.08 0.55 2.96 -1.11 -4.91 118.68 113.97 3gqv s LEU 324 Ca 0.10 -0.42 0.05 0.00 -0.22 0.00 0.00 54.13 53.63 3gqv s LEU 324 Cb 0.17 -0.56 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 3gqv s LEU 324 CO 0.72 -0.23 -0.01 0.68 -1.32 0.00 0.00 176.35 176.19 3gqv s VAL 325 N 1.89 3.98 0.76 1.68 -7.23 -1.26 -4.42 120.40 115.79 3gqv s VAL 325 Ca 0.02 -0.96 -0.13 0.00 -1.81 0.00 0.00 61.98 59.11 3gqv s VAL 325 Cb -0.14 -2.88 0.05 0.00 0.56 0.00 0.00 36.38 33.97 3gqv s VAL 325 CO -0.07 0.15 1.13 -1.38 -0.31 0.00 0.00 175.10 174.63 3gqv s HIS 326 N -1.27 2.30 0.67 2.82 -3.43 -1.26 -4.77 115.29 110.34 3gqv s HIS 326 Ca 0.25 1.61 -0.16 0.00 -0.80 0.00 0.00 55.06 55.96 3gqv s HIS 326 Cb -0.12 -3.23 0.01 0.00 -1.43 0.00 0.00 32.58 27.81 3gqv s HIS 326 CO 0.17 -2.13 1.17 -1.58 -2.00 0.00 0.00 174.74 170.37 3gqv s HIS 327 N -2.49 2.32 0.53 0.38 2.46 -1.26 -4.93 115.29 112.29 3gqv s HIS 327 Ca 0.67 1.57 -0.23 0.00 0.47 0.00 0.00 55.06 57.54 3gqv s HIS 327 Cb -0.22 -3.37 -0.06 0.00 -0.13 0.00 0.00 32.58 28.81 3gqv s HIS 327 CO 0.50 -2.19 1.38 -2.30 -2.47 0.00 0.00 174.74 169.66 3gqv n PRO 328 N -2.35 1.83 -3.92 2.88 -0.02 -1.26 -4.74 135.00 127.42 3gqv n PRO 328 Ca 0.12 0.67 -0.37 0.00 -2.02 0.00 0.00 63.50 61.90 3gqv n PRO 328 Cb 0.51 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.33 3gqv n PRO 328 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3gqv s LEU 329 N -3.30 4.31 -0.35 2.45 1.43 -1.26 -0.42 118.68 121.53 3gqv s LEU 329 Ca 0.69 0.43 0.01 0.00 -1.03 0.00 0.00 54.13 54.23 3gqv s LEU 329 Cb -0.42 -2.05 0.09 0.00 0.03 0.00 0.00 46.19 43.84 3gqv s LEU 329 CO 0.51 0.40 0.09 -0.60 0.23 0.00 0.00 176.35 176.97 3gqv s ARG 330 N -0.96 1.83 -0.15 1.70 3.52 -0.12 -4.83 118.95 119.94 3gqv s ARG 330 Ca 0.15 -1.75 -0.16 0.00 -0.13 0.00 0.00 55.73 53.84 3gqv s ARG 330 Cb -0.12 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 3gqv s ARG 330 CO 0.04 -0.92 0.37 0.08 -0.81 0.00 0.00 175.30 174.05 3gqv s VAL 331 N 1.04 5.25 -0.12 7.11 1.01 -1.26 -1.40 120.40 132.03 3gqv s VAL 331 Ca 0.07 0.70 0.01 0.00 0.00 0.00 0.00 61.98 62.76 3gqv s VAL 331 Cb -0.21 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3gqv s VAL 331 CO -0.06 0.34 -0.16 -0.69 0.00 0.00 0.00 175.10 174.54 3gqv s VAL 332 N 0.67 2.74 -0.17 2.92 1.01 -0.21 -4.98 120.40 122.39 3gqv s VAL 332 Ca 0.20 -0.77 -0.20 0.00 0.00 0.00 0.00 61.98 61.21 3gqv s VAL 332 Cb -0.14 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 3gqv s VAL 332 CO 0.07 0.53 0.57 -1.10 0.00 0.00 0.00 175.10 175.17 3gqv s GLN 333 N 0.40 4.25 0.00 2.72 -1.52 -1.26 -0.54 119.66 123.71 3gqv s GLN 333 Ca -0.12 0.54 0.00 0.00 -1.95 0.00 0.00 55.36 53.83 3gqv s GLN 333 Cb -0.16 -3.53 0.00 0.00 -0.22 0.00 0.00 33.01 29.10 3gqv s GLN 333 CO 0.06 -0.10 0.00 0.41 -0.25 0.00 0.00 175.29 175.41 3gqv n GLY 334 N 3.64 -1.00 0.00 3.09 0.00 -0.83 -4.95 105.19 105.14 3gqv n GLY 334 Ca -0.04 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3gqv n GLY 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqv n GLY 335 N 0.00 6.08 0.20 -0.02 0.00 -1.26 -1.81 105.19 108.38 3gqv n GLY 335 Ca 0.00 -1.92 0.05 0.00 0.00 0.00 0.00 46.02 44.16 3gqv n GLY 335 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3gqv h PHE 336 N 0.00 0.00 -0.10 1.61 0.04 -1.99 -2.03 116.94 114.46 3gqv h PHE 336 Ca 0.00 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 3gqv h PHE 336 Cb 0.00 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 3gqv h PHE 336 CO 0.00 0.35 -0.32 0.22 -0.60 0.00 0.00 178.31 177.96 3gqv h ASP 337 N 0.00 0.20 -0.24 2.17 3.58 -2.00 -2.25 116.42 117.89 3gqv h ASP 337 Ca -0.00 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.35 3gqv h ASP 337 Cb 0.74 -0.05 -0.02 0.00 1.72 0.00 0.00 39.33 41.72 3gqv h ASP 337 CO 0.05 0.52 0.08 0.45 -2.88 0.00 0.00 179.24 177.45 3gqv h HIS 338 N 0.18 0.45 -0.26 0.28 3.86 -1.75 -0.78 115.15 117.14 3gqv h HIS 338 Ca 0.02 -0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.18 3gqv h HIS 338 Cb 0.65 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.97 3gqv h HIS 338 CO 0.01 0.40 0.03 0.82 0.86 0.00 0.00 177.93 180.05 3gqv h ILE 339 N 0.45 1.24 -0.72 2.45 2.04 -1.35 0.91 117.51 122.53 3gqv h ILE 339 Ca 0.11 -0.83 0.06 0.00 1.00 0.00 0.00 64.86 65.20 3gqv h ILE 339 Cb 0.17 1.28 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 3gqv h ILE 339 CO -0.00 0.26 0.42 0.50 0.00 0.00 0.00 178.15 179.32 3gqv h LYS 340 N 0.24 0.74 -0.57 2.37 3.64 -1.10 0.69 116.57 122.59 3gqv h LYS 340 Ca 0.08 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 3gqv h LYS 340 Cb 0.36 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3gqv h LYS 340 CO 0.01 0.49 -0.05 1.96 -2.27 0.00 0.00 179.45 179.59 3gqv h GLN 341 N 0.76 1.04 -0.68 1.90 4.20 -1.00 -2.82 115.11 118.51 3gqv h GLN 341 Ca 0.32 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3gqv h GLN 341 Cb 0.18 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.85 3gqv h GLN 341 CO -0.18 1.05 0.33 0.78 -0.67 0.00 0.00 178.83 180.14 3gqv h GLY 342 N 0.93 1.04 1.28 3.46 0.00 -0.06 -2.55 103.07 107.17 3gqv h GLY 342 Ca 0.15 -0.51 0.01 0.00 0.00 0.00 0.00 47.33 46.98 3gqv h GLY 342 CO 0.04 0.49 0.48 -0.33 0.00 0.00 0.00 176.54 177.21 3gqv h MET 343 N 0.94 0.96 -0.41 4.80 2.86 -0.72 -1.50 114.93 121.86 3gqv h MET 343 Ca 0.23 -0.06 -0.13 0.00 -2.06 0.00 0.00 59.70 57.68 3gqv h MET 343 Cb 0.11 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3gqv h MET 343 CO -0.03 0.64 -0.26 0.93 1.06 0.00 0.00 176.91 179.25 3gqv h GLU 344 N 0.99 0.86 -0.78 1.72 4.39 -1.24 0.11 114.58 120.63 3gqv h GLU 344 Ca 0.27 -0.38 -0.05 0.00 0.34 0.00 0.00 59.36 59.54 3gqv h GLU 344 Cb -0.11 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 3gqv h GLU 344 CO -0.06 1.02 0.29 1.25 -1.16 0.00 0.00 179.01 180.36 3gqv h LEU 345 N 0.74 1.09 -0.12 1.33 5.85 -1.04 -2.35 115.31 120.80 3gqv h LEU 345 Ca 0.09 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.53 3gqv h LEU 345 Cb 0.81 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3gqv h LEU 345 CO 0.07 0.98 -0.29 0.58 -0.34 0.00 0.00 178.44 179.44 3gqv h VAL 346 N 1.14 1.38 -0.86 1.05 2.07 -1.10 -1.42 116.25 118.50 3gqv h VAL 346 Ca 0.26 -1.58 0.09 0.00 0.82 0.00 0.00 66.70 66.29 3gqv h VAL 346 Cb 0.24 2.08 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 3gqv h VAL 346 CO -0.02 0.47 0.56 -0.09 0.02 0.00 0.00 177.57 178.51 3gqv h ARG 347 N 0.00 0.85 -0.06 1.57 2.43 -0.68 -1.81 114.38 116.68 3gqv h ARG 347 Ca -0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 3gqv h ARG 347 Cb 0.89 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3gqv h ARG 347 CO 0.06 0.56 0.00 1.63 -1.51 0.00 0.00 179.97 180.71 3gqv n LYS 348 N -4.51 1.20 -3.37 0.20 5.02 -0.89 -4.89 118.16 110.91 3gqv n LYS 348 Ca 0.14 -0.30 -0.23 0.00 -2.02 0.00 0.00 58.31 55.90 3gqv n LYS 348 Cb 0.29 -1.23 0.06 0.00 -0.02 0.00 0.00 35.03 34.13 3gqv n LYS 348 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqv n GLY 349 N 0.79 -0.53 0.52 0.72 0.00 -0.68 -4.93 105.19 101.08 3gqv n GLY 349 Ca 0.10 0.21 0.13 0.00 0.00 0.00 0.00 46.02 46.46 3gqv n GLY 349 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gqv n GLU 350 N -4.63 1.52 -4.15 1.61 1.02 -0.54 -4.84 120.64 110.63 3gqv n GLU 350 Ca -0.04 -1.05 -0.35 0.00 -0.02 0.00 0.00 57.16 55.71 3gqv n GLU 350 Cb 0.58 -1.48 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 3gqv n GLU 350 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gqv s LEU 351 N -2.21 3.73 -0.11 -4.62 1.43 -1.26 -5.02 118.68 110.62 3gqv s LEU 351 Ca 0.29 0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.50 3gqv s LEU 351 Cb 0.20 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.53 3gqv s LEU 351 CO 0.41 0.25 -0.08 -0.55 0.23 0.00 0.00 176.35 176.62 3gqv s SER 352 N -0.11 2.18 -1.28 2.29 0.15 -1.26 -4.83 113.70 110.85 3gqv s SER 352 Ca 0.06 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.40 3gqv s SER 352 Cb -0.12 -0.85 0.00 0.00 -1.71 0.00 0.00 66.02 63.34 3gqv s SER 352 CO 0.01 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.95 3gqv n GLY 353 N 4.92 0.73 3.20 9.45 0.00 -1.26 -4.99 105.19 117.23 3gqv n GLY 353 Ca -0.13 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.42 3gqv n GLY 353 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gqv s GLU 354 N -3.76 0.79 -0.15 1.61 2.02 -1.26 -4.39 118.70 113.55 3gqv s GLU 354 Ca 0.00 -0.81 -0.03 0.00 0.02 0.00 0.00 54.97 54.15 3gqv s GLU 354 Cb 0.00 0.32 -0.02 0.00 0.10 0.00 0.00 34.13 34.53 3gqv s GLU 354 CO 0.00 -0.24 -0.06 0.21 0.02 0.00 0.00 175.26 175.18 3gqv s LYS 355 N -3.31 3.57 -0.23 1.61 2.47 0.44 -4.91 119.74 119.38 3gqv s LYS 355 Ca 0.01 -0.57 -0.28 0.00 -1.56 0.00 0.00 55.97 53.57 3gqv s LYS 355 Cb 0.02 -2.84 0.00 0.00 -1.46 0.00 0.00 37.83 33.56 3gqv s LYS 355 CO -0.08 0.21 0.98 -1.17 0.16 0.00 0.00 175.35 175.45 3gqv s LEU 356 N 0.43 4.10 -0.05 5.43 1.98 -1.26 -0.94 118.68 128.37 3gqv s LEU 356 Ca -0.05 1.30 0.06 0.00 -2.89 0.00 0.00 54.13 52.55 3gqv s LEU 356 Cb -0.15 -3.45 -0.01 0.00 0.66 0.00 0.00 46.19 43.24 3gqv s LEU 356 CO 0.03 -0.62 -0.25 -0.69 -1.89 0.00 0.00 176.35 172.94 3gqv s VAL 357 N 3.03 2.03 -0.21 1.68 1.01 -0.49 -0.94 120.40 126.51 3gqv s VAL 357 Ca 0.42 -1.05 -0.04 0.00 0.00 0.00 0.00 61.98 61.30 3gqv s VAL 357 Cb -0.15 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.50 3gqv s VAL 357 CO 0.07 0.56 -0.02 -0.69 0.00 0.00 0.00 175.10 175.02 3gqv s VAL 358 N -0.18 3.69 -0.30 2.92 1.01 0.47 -1.04 120.40 126.96 3gqv s VAL 358 Ca -0.03 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.35 3gqv s VAL 358 Cb -0.13 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 3gqv s VAL 358 CO 0.03 0.43 0.65 -0.60 0.00 0.00 0.00 175.10 175.61 3gqv s ARG 359 N 1.17 3.91 0.01 2.72 6.06 0.30 -1.48 118.95 131.64 3gqv s ARG 359 Ca 0.03 0.34 -0.30 0.00 -2.50 0.00 0.00 55.73 53.29 3gqv s ARG 359 Cb -0.14 -3.73 -0.04 0.00 0.06 0.00 0.00 34.95 31.10 3gqv s ARG 359 CO 0.00 -0.58 1.11 -0.51 -2.50 0.00 0.00 175.30 172.82 3gqv s LEU 360 N 2.65 4.34 -0.16 -0.88 1.43 0.00 -1.97 118.68 124.11 3gqv s LEU 360 Ca 0.26 1.83 -0.19 0.00 -1.03 0.00 0.00 54.13 55.00 3gqv s LEU 360 Cb -0.15 -3.57 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3gqv s LEU 360 CO 0.12 -0.42 0.52 -1.83 0.23 0.00 0.00 176.35 174.96 3gqv s GLU 361 N 1.33 4.27 -0.33 1.70 -1.05 -0.75 -4.92 118.70 118.95 3gqv s GLU 361 Ca 0.55 0.47 0.01 0.00 -0.15 0.00 0.00 54.97 55.86 3gqv s GLU 361 Cb -0.25 -3.50 0.09 0.00 -0.44 0.00 0.00 34.13 30.03 3gqv s GLU 361 CO 0.27 -0.01 0.04 0.20 0.95 0.00 0.00 175.26 176.71 3gqv s GLY 362 N 0.90 1.87 0.00 -3.83 0.00 -1.26 -4.89 107.32 100.11 3gqv s GLY 362 Ca 0.26 -2.26 0.27 0.00 0.00 0.00 0.00 44.72 42.98 3gqv s GLY 362 CO 0.10 0.85 1.60 -1.55 0.00 0.00 0.00 173.10 174.11