#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fhq s TYR 3 N 0.00 3.35 -0.21 1.09 6.14 -1.26 -4.94 117.35 121.53 3fhq s TYR 3 Ca 0.00 1.12 0.14 0.00 0.64 0.00 0.00 57.07 58.97 3fhq s TYR 3 Cb 0.00 -2.99 0.43 0.00 0.42 0.00 0.00 41.96 39.82 3fhq s TYR 3 CO 0.00 -0.31 1.31 0.09 0.64 0.00 0.00 175.55 177.28 3fhq n ASN 4 N 5.61 2.52 -3.12 4.32 4.13 -1.26 -5.04 115.26 122.42 3fhq n ASN 4 Ca 0.04 -3.48 -0.11 0.00 1.68 0.00 0.00 54.58 52.71 3fhq n ASN 4 Cb 0.48 -0.54 0.07 0.00 -1.54 0.00 0.00 39.78 38.25 3fhq n ASN 4 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3fhq n GLY 5 N -1.09 0.23 3.75 7.41 0.00 -1.26 -4.61 105.19 109.63 3fhq n GLY 5 Ca 0.23 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.95 3fhq n GLY 5 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3fhq s PRO 6 N -3.82 3.27 0.05 1.61 0.02 -1.26 -4.97 135.00 129.90 3fhq s PRO 6 Ca 0.32 2.14 0.06 0.00 0.02 0.00 0.00 61.00 63.54 3fhq s PRO 6 Cb -0.02 -2.29 -0.02 0.00 0.02 0.00 0.00 34.50 32.19 3fhq s PRO 6 CO 0.22 -1.06 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.15 3fhq s LEU 7 N -3.42 2.19 0.38 -5.54 1.43 -1.26 -1.54 118.68 110.92 3fhq s LEU 7 Ca 0.70 -0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 53.01 3fhq s LEU 7 Cb -0.38 -0.75 -0.11 0.00 0.03 0.00 0.00 46.19 44.99 3fhq s LEU 7 CO 0.45 0.07 1.48 -0.55 0.23 0.00 0.00 176.35 178.03 3fhq s SER 8 N -1.27 6.30 0.89 2.29 0.15 0.80 -4.72 113.70 118.14 3fhq s SER 8 Ca 0.04 3.03 -0.12 0.00 0.70 0.00 0.00 55.95 59.60 3fhq s SER 8 Cb -0.08 -2.67 0.13 0.00 -1.71 0.00 0.00 66.02 61.69 3fhq s SER 8 CO 0.02 -0.90 1.14 -0.44 1.20 0.00 0.00 173.24 174.25 3fhq s SER 9 N -0.20 3.66 0.00 5.45 0.01 -1.26 -4.74 113.70 116.62 3fhq s SER 9 Ca 0.54 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.76 3fhq s SER 9 Cb -0.46 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.22 3fhq s SER 9 CO 0.62 -2.46 0.00 0.00 0.41 0.00 0.00 173.24 171.82 3fhq n HIS 10 N -3.70 0.00 -4.12 2.43 1.44 -1.26 -4.31 115.22 105.69 3fhq n HIS 10 Ca 0.07 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.63 3fhq n HIS 10 Cb 0.59 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.57 3fhq n HIS 10 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3fhq s TRP 11 N -0.29 0.61 0.55 -1.40 0.51 -0.17 -4.96 118.94 113.80 3fhq s TRP 11 Ca 0.00 -0.31 -0.08 0.00 -2.12 0.00 0.00 56.10 53.60 3fhq s TRP 11 Cb 0.00 -0.38 -0.03 0.00 -0.81 0.00 0.00 33.47 32.25 3fhq s TRP 11 CO 0.00 -0.04 0.91 -0.06 -0.51 0.00 0.00 176.95 177.24 3fhq s PHE 12 N -0.78 3.56 0.40 -1.98 0.08 -1.26 -1.11 117.98 116.88 3fhq s PHE 12 Ca -0.04 1.00 0.13 0.00 0.12 0.00 0.00 56.93 58.14 3fhq s PHE 12 Cb -0.06 -2.53 0.97 0.00 -0.57 0.00 0.00 43.02 40.82 3fhq s PHE 12 CO 0.00 -0.52 1.90 -1.35 -0.10 0.00 0.00 175.22 175.15 3fhq h PRO 13 N -0.06 0.50 0.00 0.24 0.11 -1.98 -1.38 132.00 129.43 3fhq h PRO 13 Ca -0.46 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3fhq h PRO 13 Cb 1.20 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3fhq h PRO 13 CO 0.62 0.33 -0.21 0.93 -0.21 0.00 0.00 178.00 179.46 3fhq h GLU 14 N 0.52 0.00 -0.01 1.05 4.39 -1.96 -2.22 114.58 116.35 3fhq h GLU 14 Ca 0.40 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.86 3fhq h GLU 14 Cb 0.81 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.47 3fhq h GLU 14 CO -0.15 0.21 -0.98 0.93 -1.16 0.00 0.00 179.01 177.86 3fhq h GLU 15 N 0.00 0.57 -0.21 2.33 5.08 -1.65 -3.27 114.58 117.42 3fhq h GLU 15 Ca -0.00 -0.60 -0.01 0.00 -1.00 0.00 0.00 59.36 57.75 3fhq h GLU 15 Cb 0.96 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3fhq h GLU 15 CO 0.03 1.22 0.08 1.25 -1.00 0.00 0.00 179.01 180.59 3fhq h LEU 16 N 0.32 0.29 -0.85 1.33 5.85 -1.32 -2.51 115.31 118.42 3fhq h LEU 16 Ca -0.10 -0.16 0.22 0.00 0.84 0.00 0.00 57.88 58.67 3fhq h LEU 16 Cb 1.62 -0.07 -0.14 0.00 0.37 0.00 0.00 40.66 42.43 3fhq h LEU 16 CO 0.18 0.37 0.12 0.00 -0.34 0.00 0.00 178.44 178.78 3fhq h ALA 17 N 0.93 1.09 -0.55 1.25 0.00 -1.49 -0.13 119.26 120.35 3fhq h ALA 17 Ca 0.07 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3fhq h ALA 17 Cb 0.17 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3fhq h ALA 17 CO -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.78 3fhq n GLN 18 N -5.31 4.73 -3.30 0.00 10.64 -1.05 -4.92 117.38 118.17 3fhq n GLN 18 Ca 0.19 -3.01 -0.38 0.00 -1.83 0.00 0.00 57.00 51.97 3fhq n GLN 18 Cb 0.62 -2.24 -0.06 0.00 -0.86 0.00 0.00 30.24 27.71 3fhq n GLN 18 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.06 174.77 3fhq s TRP 19 N -2.69 3.57 -0.01 2.61 -0.00 -0.06 -5.05 118.94 117.30 3fhq s TRP 19 Ca 0.52 0.97 -0.00 0.00 -0.00 0.00 0.00 56.10 57.59 3fhq s TRP 19 Cb 0.40 -2.55 0.02 0.00 -0.00 0.00 0.00 33.47 31.34 3fhq s TRP 19 CO 0.15 0.25 0.02 -1.21 -0.00 0.00 0.00 176.95 176.16 3fhq s GLU 20 N 0.31 -0.02 0.23 5.86 0.41 -1.26 -5.03 118.70 119.20 3fhq s GLU 20 Ca 0.27 0.13 -0.06 0.00 -0.41 0.00 0.00 54.97 54.91 3fhq s GLU 20 Cb -0.16 -0.17 0.38 0.00 -1.78 0.00 0.00 34.13 32.40 3fhq s GLU 20 CO 0.12 -0.12 1.77 -1.35 -0.49 0.00 0.00 175.26 175.20 3fhq h PRO 21 N 6.94 0.59 -0.12 0.39 0.11 -1.97 -2.54 132.00 135.41 3fhq h PRO 21 Ca -0.39 -0.04 0.04 0.00 0.11 0.00 0.00 66.00 65.72 3fhq h PRO 21 Cb 1.15 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 3fhq h PRO 21 CO 0.49 0.39 0.29 -0.44 -0.21 0.00 0.00 178.00 178.52 3fhq h ASP 22 N 0.61 0.00 -0.00 -2.05 3.32 -2.01 -1.43 116.42 114.85 3fhq h ASP 22 Ca 0.38 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.43 3fhq h ASP 22 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 3fhq h ASP 22 CO -0.29 0.00 -0.57 -1.54 -1.72 0.00 0.00 179.24 175.11 3fhq n SER 23 N -3.28 1.09 -4.57 6.45 3.41 -0.96 -4.90 113.62 110.86 3fhq n SER 23 Ca 0.01 -1.05 -0.41 0.00 -0.26 0.00 0.00 58.87 57.16 3fhq n SER 23 Cb 0.38 0.79 -0.07 0.00 -0.26 0.00 0.00 64.21 65.05 3fhq n SER 23 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3fhq s ASP 24 N -2.24 6.39 0.54 4.04 -1.08 -0.54 -4.94 116.67 118.84 3fhq s ASP 24 Ca 0.09 0.16 0.22 0.00 -0.52 0.00 0.00 52.55 52.50 3fhq s ASP 24 Cb 0.12 -2.30 1.49 0.00 -1.46 0.00 0.00 42.92 40.78 3fhq s ASP 24 CO 0.54 -0.49 2.18 -0.65 0.52 0.00 0.00 175.17 177.27 3fhq h PRO 25 N 8.37 0.00 0.00 4.34 0.11 -1.90 -2.77 132.00 140.14 3fhq h PRO 25 Ca -0.27 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 3fhq h PRO 25 Cb 1.12 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 3fhq h PRO 25 CO 0.79 0.02 -1.38 -0.25 -0.21 0.00 0.00 178.00 176.96 3fhq n ASP 26 N -4.20 0.70 -0.34 -2.05 9.92 -1.26 -4.36 116.55 114.97 3fhq n ASP 26 Ca -0.03 0.29 0.21 0.00 -0.53 0.00 0.00 54.79 54.74 3fhq n ASP 26 Cb 0.10 0.54 0.44 0.00 -0.64 0.00 0.00 41.12 41.57 3fhq n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3fhq h ALA 27 N 1.69 1.93 0.00 2.24 0.00 -1.77 -0.68 119.26 122.68 3fhq h ALA 27 Ca -0.10 0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3fhq h ALA 27 Cb 1.32 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 3fhq h ALA 27 CO 0.02 -0.47 -0.40 -1.35 0.00 0.00 0.00 179.25 177.05 3fhq h PRO 28 N 0.44 0.00 0.00 0.00 0.11 -1.77 -2.00 132.00 128.78 3fhq h PRO 28 Ca 0.69 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.79 3fhq h PRO 28 Cb 1.49 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.60 3fhq h PRO 28 CO -0.51 0.40 -0.01 0.74 -0.21 0.00 0.00 178.00 178.40 3fhq h PHE 29 N 0.00 0.00 -0.07 0.65 0.04 -1.41 -3.23 116.94 112.93 3fhq h PHE 29 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3fhq h PHE 29 Cb 0.98 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.13 3fhq h PHE 29 CO 0.00 0.01 0.00 0.09 -0.60 0.00 0.00 178.31 177.81 3fhq n ASN 30 N -3.10 2.75 -4.70 2.17 3.02 -0.76 -4.70 115.26 109.94 3fhq n ASN 30 Ca 0.02 -1.91 -0.42 0.00 -0.03 0.00 0.00 54.58 52.24 3fhq n ASN 30 Cb 0.41 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 3fhq n ASN 30 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3fhq s ARG 31 N -1.94 4.40 0.24 3.52 0.52 -1.16 -4.22 118.95 120.30 3fhq s ARG 31 Ca 0.31 1.65 -0.30 0.00 -0.52 0.00 0.00 55.73 56.87 3fhq s ARG 31 Cb 0.20 -3.50 -0.09 0.00 0.52 0.00 0.00 34.95 32.09 3fhq s ARG 31 CO 0.31 -0.36 1.26 0.45 0.02 0.00 0.00 175.30 176.98 3fhq s SER 32 N 1.31 6.95 -0.24 0.23 0.15 0.13 -4.91 113.70 117.33 3fhq s SER 32 Ca 0.56 2.42 0.12 0.00 0.70 0.00 0.00 55.95 59.74 3fhq s SER 32 Cb -0.25 -2.62 0.47 0.00 -1.71 0.00 0.00 66.02 61.90 3fhq s SER 32 CO 0.24 -0.45 1.37 1.41 1.20 0.00 0.00 173.24 177.01 3fhq n HIS 33 N 1.98 0.69 -3.91 3.44 8.25 -1.26 -4.76 115.22 119.66 3fhq n HIS 33 Ca 0.03 -1.41 -0.30 0.00 -0.26 0.00 0.00 57.72 55.78 3fhq n HIS 33 Cb 0.43 -0.37 -0.15 0.00 1.12 0.00 0.00 29.99 31.02 3fhq n HIS 33 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3fhq s VAL 34 N -3.14 1.58 0.63 1.59 1.01 -1.26 -4.98 120.40 115.83 3fhq s VAL 34 Ca 0.41 -1.64 -0.17 0.00 0.00 0.00 0.00 61.98 60.58 3fhq s VAL 34 Cb 0.37 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3fhq s VAL 34 CO -0.00 -0.43 1.18 -2.84 0.00 0.00 0.00 175.10 173.00 3fhq s PRO 35 N 1.30 2.78 -0.17 2.72 0.02 -1.26 -4.78 135.00 135.60 3fhq s PRO 35 Ca 0.04 1.70 -0.32 0.00 0.02 0.00 0.00 61.00 62.44 3fhq s PRO 35 Cb -0.18 -1.92 -0.09 0.00 0.02 0.00 0.00 34.50 32.32 3fhq s PRO 35 CO -0.12 -1.33 2.06 -0.11 -0.33 0.00 0.00 177.00 177.17 3fhq n LEU 36 N -2.00 3.19 -4.67 -5.54 7.94 -1.26 -4.56 117.00 110.10 3fhq n LEU 36 Ca 0.13 0.62 -0.42 0.00 -1.11 0.00 0.00 56.01 55.22 3fhq n LEU 36 Cb 0.50 -1.42 -0.03 0.00 0.53 0.00 0.00 43.42 43.01 3fhq n LEU 36 CO 0.46 -0.36 1.50 -1.61 -1.11 0.00 0.00 177.39 176.27 3fhq s GLU 37 N 5.26 4.16 0.42 1.96 0.41 -0.49 -4.96 118.70 125.46 3fhq s GLU 37 Ca 0.98 2.46 -0.13 0.00 -0.41 0.00 0.00 54.97 57.88 3fhq s GLU 37 Cb -0.59 -4.01 -0.07 0.00 -1.78 0.00 0.00 34.13 27.68 3fhq s GLU 37 CO 0.45 -0.89 0.82 -1.25 -0.49 0.00 0.00 175.26 173.90 3fhq s PRO 38 N 4.01 3.87 -0.41 0.39 0.05 -1.26 -3.94 135.00 137.70 3fhq s PRO 38 Ca 0.82 0.63 -0.11 0.00 0.05 0.00 0.00 61.00 62.39 3fhq s PRO 38 Cb -0.40 -2.33 0.01 0.00 0.05 0.00 0.00 34.50 31.83 3fhq s PRO 38 CO 0.37 -0.06 0.52 0.41 0.05 0.00 0.00 177.00 178.29 3fhq n GLY 39 N -1.19 -1.20 3.88 0.56 0.00 -1.26 -5.03 105.19 100.95 3fhq n GLY 39 Ca 0.04 0.93 -0.30 0.00 0.00 0.00 0.00 46.02 46.68 3fhq n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fhq s ARG 40 N -2.48 3.43 -0.03 1.61 0.52 -1.26 -4.86 118.95 115.88 3fhq s ARG 40 Ca 0.17 0.55 0.06 0.00 -0.52 0.00 0.00 55.73 55.99 3fhq s ARG 40 Cb -0.05 -2.14 -0.01 0.00 0.52 0.00 0.00 34.95 33.27 3fhq s ARG 40 CO 0.65 -0.58 -0.21 0.54 0.02 0.00 0.00 175.30 175.72 3fhq s VAL 41 N -3.11 1.72 0.40 3.52 0.11 0.43 -4.86 120.40 118.60 3fhq s VAL 41 Ca 0.54 -0.91 -0.04 0.00 -2.93 0.00 0.00 61.98 58.64 3fhq s VAL 41 Cb -0.11 -1.44 -0.04 0.00 -1.53 0.00 0.00 36.38 33.26 3fhq s VAL 41 CO 0.51 0.49 0.67 0.00 -3.33 0.00 0.00 175.10 173.44 3fhq s ALA 42 N -0.36 3.52 0.49 1.54 0.00 -1.26 -0.30 121.76 125.39 3fhq s ALA 42 Ca 0.04 -0.60 0.09 0.00 0.00 0.00 0.00 51.96 51.49 3fhq s ALA 42 Cb -0.10 -2.41 0.04 0.00 0.00 0.00 0.00 23.12 20.65 3fhq s ALA 42 CO 0.00 -0.10 0.64 0.16 0.00 0.00 0.00 175.76 176.46 3fhq s ASP 43 N -3.79 5.35 -0.03 0.00 -4.77 0.52 -4.94 116.67 109.01 3fhq s ASP 43 Ca 0.45 -0.65 0.05 0.00 -3.30 0.00 0.00 52.55 49.10 3fhq s ASP 43 Cb -0.10 -0.23 0.07 0.00 -1.09 0.00 0.00 42.92 41.58 3fhq s ASP 43 CO 0.38 -1.00 0.93 0.54 0.70 0.00 0.00 175.17 176.72 3fhq n ARG 44 N -1.98 0.78 0.12 2.11 1.74 -1.26 -4.67 116.66 113.49 3fhq n ARG 44 Ca 0.10 -1.37 0.13 0.00 -0.77 0.00 0.00 57.85 55.94 3fhq n ARG 44 Cb 0.60 -0.83 0.40 0.00 -1.02 0.00 0.00 32.46 31.61 3fhq n ARG 44 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 3fhq h VAL 45 N 3.28 0.00 -3.48 1.55 -1.51 -1.97 -3.42 116.25 110.70 3fhq h VAL 45 Ca 0.00 -0.50 -0.67 0.00 -1.23 0.00 0.00 66.70 64.30 3fhq h VAL 45 Cb 1.07 1.48 -0.30 0.00 -2.13 0.00 0.00 31.29 31.41 3fhq h VAL 45 CO 0.00 0.00 -0.72 0.21 -1.23 0.00 0.00 177.57 175.83 3fhq s ASN 46 N -4.67 4.42 0.43 4.19 3.84 -1.26 -4.45 114.94 117.44 3fhq s ASN 46 Ca 0.10 -0.69 0.20 0.00 0.21 0.00 0.00 52.86 52.67 3fhq s ASN 46 Cb 0.11 -1.72 0.95 0.00 -0.55 0.00 0.00 41.25 40.05 3fhq s ASN 46 CO 0.58 -0.10 1.88 0.00 -2.79 0.00 0.00 177.10 176.67 3fhq h ALA 47 N 8.08 1.24 0.00 1.71 0.00 -1.84 -2.47 119.26 125.98 3fhq h ALA 47 Ca -0.36 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3fhq h ALA 47 Cb 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3fhq h ALA 47 CO 0.59 0.35 -0.11 -0.97 0.00 0.00 0.00 179.25 179.11 3fhq h ASN 48 N 0.00 0.00 -3.67 0.00 -0.73 -1.93 -3.46 115.58 105.79 3fhq h ASN 48 Ca -0.00 -0.02 -0.51 0.00 1.87 0.00 0.00 56.30 57.64 3fhq h ASN 48 Cb 0.62 0.00 0.02 0.00 0.27 0.00 0.00 38.32 39.23 3fhq h ASN 48 CO 0.04 0.01 0.54 0.00 -0.37 0.00 0.00 177.43 177.64 3fhq s ALA 49 N -3.17 3.44 0.37 1.57 0.00 -0.93 -4.76 121.76 118.27 3fhq s ALA 49 Ca 0.08 0.98 0.08 0.00 0.00 0.00 0.00 51.96 53.10 3fhq s ALA 49 Cb 0.09 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 3fhq s ALA 49 CO 0.65 -0.33 0.24 0.16 0.00 0.00 0.00 175.76 176.48 3fhq s ASP 50 N -0.37 4.87 0.00 0.00 -4.77 -0.97 -4.86 116.67 110.57 3fhq s ASP 50 Ca 0.49 -0.75 0.20 0.00 -3.30 0.00 0.00 52.55 49.19 3fhq s ASP 50 Cb -0.33 -0.71 0.17 0.00 -1.09 0.00 0.00 42.92 40.95 3fhq s ASP 50 CO 0.41 -0.43 1.14 2.29 0.70 0.00 0.00 175.17 179.27 3fhq n LYS 51 N -1.31 1.78 -0.10 2.11 2.85 -1.26 -4.29 118.16 117.94 3fhq n LYS 51 Ca -0.01 -1.71 -0.17 0.00 -1.05 0.00 0.00 58.31 55.37 3fhq n LYS 51 Cb 0.61 -1.38 -0.09 0.00 -0.65 0.00 0.00 35.03 33.53 3fhq n LYS 51 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3fhq n ASP 52 N 1.12 1.85 -4.75 -5.58 8.00 -1.26 -4.94 116.55 110.99 3fhq n ASP 52 Ca 0.12 0.48 -0.41 0.00 0.71 0.00 0.00 54.79 55.68 3fhq n ASP 52 Cb 0.50 -0.93 -0.02 0.00 -0.02 0.00 0.00 41.12 40.65 3fhq n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3fhq s ALA 53 N -2.48 3.54 0.49 2.24 0.00 -1.26 -4.93 121.76 119.35 3fhq s ALA 53 Ca -0.26 1.23 0.08 0.00 0.00 0.00 0.00 51.96 53.02 3fhq s ALA 53 Cb 0.05 -3.50 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3fhq s ALA 53 CO 0.48 -0.63 0.55 -1.01 0.00 0.00 0.00 175.76 175.15 3fhq s HIS 54 N -0.49 2.15 -0.04 0.00 3.76 -1.26 -4.94 115.29 114.47 3fhq s HIS 54 Ca 0.54 -0.60 -0.02 0.00 -0.15 0.00 0.00 55.06 54.83 3fhq s HIS 54 Cb -0.39 -2.18 0.03 0.00 1.11 0.00 0.00 32.58 31.15 3fhq s HIS 54 CO 0.46 -0.56 0.08 -1.17 -0.85 0.00 0.00 174.74 172.70 3fhq s LEU 55 N -4.37 0.47 -0.08 0.89 0.20 -1.26 0.04 118.68 114.58 3fhq s LEU 55 Ca 0.51 0.14 -0.00 0.00 0.69 0.00 0.00 54.13 55.47 3fhq s LEU 55 Cb -0.05 0.01 -0.03 0.00 -0.43 0.00 0.00 46.19 45.69 3fhq s LEU 55 CO 0.31 -0.20 -0.05 0.68 -0.29 0.00 0.00 176.35 176.80 3fhq s VAL 56 N 1.72 3.84 -0.19 1.68 -7.23 -0.41 -1.31 120.40 118.51 3fhq s VAL 56 Ca -0.02 -0.42 -0.05 0.00 -1.81 0.00 0.00 61.98 59.69 3fhq s VAL 56 Cb -0.12 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 3fhq s VAL 56 CO -0.04 0.59 -0.01 -0.55 -0.31 0.00 0.00 175.10 174.78 3fhq s SER 57 N -0.74 4.78 -0.53 4.85 0.15 -0.22 -1.07 113.70 120.92 3fhq s SER 57 Ca 0.11 -0.20 -0.16 0.00 0.70 0.00 0.00 55.95 56.40 3fhq s SER 57 Cb -0.11 -1.81 0.11 0.00 -1.71 0.00 0.00 66.02 62.50 3fhq s SER 57 CO 0.02 0.09 0.49 -0.76 1.20 0.00 0.00 173.24 174.28 3fhq s LEU 58 N 0.86 5.95 -0.08 3.45 1.02 -0.39 0.57 118.68 130.07 3fhq s LEU 58 Ca 0.00 -1.62 0.03 0.00 0.02 0.00 0.00 54.13 52.57 3fhq s LEU 58 Cb -0.14 -2.22 0.00 0.00 0.02 0.00 0.00 46.19 43.85 3fhq s LEU 58 CO 0.02 -0.83 -0.19 -0.44 0.02 0.00 0.00 176.35 174.93 3fhq s SER 59 N 3.33 2.50 -1.20 2.29 0.01 -0.51 -0.04 113.70 120.08 3fhq s SER 59 Ca 0.04 -0.44 -0.16 0.00 1.31 0.00 0.00 55.95 56.70 3fhq s SER 59 Cb -0.28 -1.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.83 3fhq s SER 59 CO 0.04 0.12 2.17 0.00 0.41 0.00 0.00 173.24 175.98 3fhq n ALA 60 N 3.56 4.85 0.26 1.44 0.00 -1.26 -0.53 120.51 128.83 3fhq n ALA 60 Ca -0.20 -3.56 0.16 0.00 0.00 0.00 0.00 53.44 49.83 3fhq n ALA 60 Cb 0.52 -3.54 0.72 0.00 0.00 0.00 0.00 19.45 17.16 3fhq n ALA 60 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fhq h LEU 61 N 11.06 0.00 -8.11 0.00 3.38 -1.92 -3.33 115.31 116.39 3fhq h LEU 61 Ca 0.53 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.94 3fhq h LEU 61 Cb 0.60 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.02 3fhq h LEU 61 CO 1.89 0.00 -0.84 0.20 0.09 0.00 0.00 178.44 179.78 3fhq s ASN 62 N -4.49 2.20 0.26 -0.43 0.01 -1.26 -4.42 114.94 106.81 3fhq s ASN 62 Ca -0.03 -0.38 -0.03 0.00 -0.71 0.00 0.00 52.86 51.71 3fhq s ASN 62 Cb 0.10 -0.98 0.42 0.00 0.41 0.00 0.00 41.25 41.19 3fhq s ASN 62 CO 0.32 0.08 1.86 -0.09 -1.51 0.00 0.00 177.10 177.76 3fhq h ARG 63 N 6.83 1.03 -6.47 -0.60 2.43 -1.95 -3.43 114.38 112.22 3fhq h ARG 63 Ca -0.27 -0.06 -0.64 0.00 -0.81 0.00 0.00 59.98 58.20 3fhq h ARG 63 Cb 1.20 -0.23 -0.14 0.00 -0.42 0.00 0.00 29.97 30.38 3fhq h ARG 63 CO 0.47 0.68 -0.72 -1.01 -1.51 0.00 0.00 179.97 177.89 3fhq s HIS 64 N -6.03 2.70 0.06 2.20 3.76 -1.26 -5.04 115.29 111.68 3fhq s HIS 64 Ca -0.12 -0.19 -0.17 0.00 -0.15 0.00 0.00 55.06 54.43 3fhq s HIS 64 Cb 0.20 -1.35 -0.13 0.00 1.11 0.00 0.00 32.58 32.41 3fhq s HIS 64 CO 0.81 0.48 1.34 1.15 -0.85 0.00 0.00 174.74 177.66 3fhq h THR 65 N 2.89 1.34 -1.82 1.30 2.02 -1.94 -3.45 112.91 113.25 3fhq h THR 65 Ca -0.48 -1.53 -0.47 0.00 0.77 0.00 0.00 66.41 64.70 3fhq h THR 65 Cb 1.19 1.86 -0.01 0.00 -1.74 0.00 0.00 68.15 69.45 3fhq h THR 65 CO 0.54 0.47 -0.39 -0.94 0.37 0.00 0.00 175.52 175.57 3fhq s SER 66 N -6.47 5.65 -0.45 4.18 1.04 -1.26 -4.55 113.70 111.83 3fhq s SER 66 Ca -0.13 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 55.97 3fhq s SER 66 Cb 0.07 -1.11 0.00 0.00 0.10 0.00 0.00 66.02 65.08 3fhq s SER 66 CO 0.81 -0.40 0.00 0.61 0.98 0.00 0.00 173.24 175.24 3fhq n GLY 67 N -1.52 0.69 3.55 7.32 0.00 -1.26 -4.99 105.19 108.98 3fhq n GLY 67 Ca -0.01 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.14 3fhq n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fhq s VAL 68 N -2.03 4.78 0.38 1.61 1.01 -1.26 -5.01 120.40 119.89 3fhq s VAL 68 Ca 0.00 0.48 -0.27 0.00 0.00 0.00 0.00 61.98 62.19 3fhq s VAL 68 Cb 0.00 -4.20 -0.11 0.00 0.00 0.00 0.00 36.38 32.07 3fhq s VAL 68 CO 0.00 -0.51 1.31 -2.65 0.00 0.00 0.00 175.10 173.24 3fhq n PRO 69 N 6.35 2.10 -0.32 2.72 -0.02 -1.26 -0.14 135.00 144.43 3fhq n PRO 69 Ca 0.00 0.74 0.03 0.00 -2.02 0.00 0.00 63.50 62.26 3fhq n PRO 69 Cb 0.48 -2.40 0.22 0.00 -0.02 0.00 0.00 33.50 31.78 3fhq n PRO 69 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3fhq h SER 70 N 2.38 0.95 -0.33 2.55 0.02 -1.57 -3.35 113.55 114.20 3fhq h SER 70 Ca -0.48 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.22 3fhq h SER 70 Cb 1.28 -0.20 -0.33 0.00 0.14 0.00 0.00 62.40 63.29 3fhq h SER 70 CO 0.61 0.62 -0.92 0.00 -1.14 0.00 0.00 176.83 176.01 3fhq n GLN 71 N -4.48 1.77 0.00 3.45 6.02 -1.26 -4.10 117.38 118.78 3fhq n GLN 71 Ca 0.13 -3.28 0.00 0.00 -0.01 0.00 0.00 57.00 53.84 3fhq n GLN 71 Cb 0.17 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.03 3fhq n GLN 71 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fhq n GLY 72 N -0.46 1.39 3.46 1.08 0.00 -1.26 -4.85 105.19 104.56 3fhq n GLY 72 Ca 0.18 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 44.02 3fhq n GLY 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhq s ALA 73 N -1.77 -1.64 -1.18 4.61 0.00 -0.83 -4.73 121.76 116.21 3fhq s ALA 73 Ca 0.00 0.59 -0.09 0.00 0.00 0.00 0.00 51.96 52.46 3fhq s ALA 73 Cb 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 23.12 23.77 3fhq s ALA 73 CO 0.00 -0.76 3.00 -0.35 0.00 0.00 0.00 175.76 177.65 3fhq n PRO 74 N -0.35 3.12 -3.81 0.00 -0.05 -1.26 -0.34 135.00 132.31 3fhq n PRO 74 Ca -0.14 -1.83 -0.22 0.00 -0.05 0.00 0.00 63.50 61.26 3fhq n PRO 74 Cb 0.64 -2.57 -0.17 0.00 -0.05 0.00 0.00 33.50 31.35 3fhq n PRO 74 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3fhq s VAL 75 N 2.04 0.31 -0.02 0.52 1.01 -1.25 -4.63 120.40 118.38 3fhq s VAL 75 Ca 0.65 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 62.52 3fhq s VAL 75 Cb 0.20 -0.46 -0.20 0.00 0.00 0.00 0.00 36.38 35.92 3fhq s VAL 75 CO -0.04 0.24 1.20 0.15 0.00 0.00 0.00 175.10 176.64 3fhq h PHE 76 N 8.11 0.12 -1.00 5.22 3.57 -1.78 -2.91 116.94 128.28 3fhq h PHE 76 Ca -0.23 -0.05 -0.58 0.00 3.53 0.00 0.00 57.97 60.65 3fhq h PHE 76 Cb 1.13 -0.02 -0.09 0.00 2.79 0.00 0.00 35.95 39.76 3fhq h PHE 76 CO 0.48 0.66 1.56 -0.47 -2.23 0.00 0.00 178.31 178.31 3fhq s TYR 77 N -3.91 2.49 0.14 0.41 5.04 -1.26 -4.58 117.35 115.68 3fhq s TYR 77 Ca -0.16 -0.82 0.05 0.00 -2.44 0.00 0.00 57.07 53.71 3fhq s TYR 77 Cb 0.02 -4.63 -0.04 0.00 0.35 0.00 0.00 41.96 37.66 3fhq s TYR 77 CO 0.70 -1.87 -0.12 -2.00 -1.34 0.00 0.00 175.55 170.92 3fhq s GLU 78 N 5.07 1.05 -0.86 4.97 2.56 -1.26 -5.07 118.70 125.16 3fhq s GLU 78 Ca 0.51 -1.34 -0.25 0.00 0.00 0.00 0.00 54.97 53.89 3fhq s GLU 78 Cb 0.00 -0.80 -0.05 0.00 2.00 0.00 0.00 34.13 35.28 3fhq s GLU 78 CO -0.05 0.13 1.98 1.21 -0.56 0.00 0.00 175.26 177.98 3fhq s ASN 79 N -2.78 5.04 -0.77 -1.70 3.84 -1.26 -4.83 114.94 112.47 3fhq s ASN 79 Ca 0.13 -0.51 -0.02 0.00 0.21 0.00 0.00 52.86 52.66 3fhq s ASN 79 Cb -0.02 -2.56 0.31 0.00 -0.55 0.00 0.00 41.25 38.43 3fhq s ASN 79 CO 0.02 -2.81 2.15 1.07 -2.79 0.00 0.00 177.10 174.74 3fhq n THR 80 N 7.90 3.55 -1.47 -5.21 5.66 -1.26 -4.94 114.28 118.51 3fhq n THR 80 Ca 0.39 -3.98 -0.58 0.00 -3.05 0.00 0.00 64.05 56.83 3fhq n THR 80 Cb 0.47 -1.29 -0.08 0.00 -1.55 0.00 0.00 70.33 67.88 3fhq n THR 80 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 175.07 172.35 3fhq n PHE 81 N -0.33 0.65 -0.40 1.09 7.35 -1.26 -4.89 117.46 119.68 3fhq n PHE 81 Ca 0.53 1.04 0.01 0.00 -0.76 0.00 0.00 57.45 58.27 3fhq n PHE 81 Cb 0.31 -2.04 0.01 0.00 0.35 0.00 0.00 39.48 38.11 3fhq n PHE 81 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3fhq n SER 82 N 1.53 1.41 -1.94 -2.13 3.41 -1.26 -4.74 113.62 109.90 3fhq n SER 82 Ca 0.20 -1.79 -0.22 0.00 -0.26 0.00 0.00 58.87 56.81 3fhq n SER 82 Cb 0.07 -0.03 0.14 0.00 -0.26 0.00 0.00 64.21 64.13 3fhq n SER 82 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3fhq n TYR 83 N -0.40 2.53 -0.30 7.33 4.02 -1.26 -4.59 117.16 124.49 3fhq n TYR 83 Ca 0.01 -2.16 0.33 0.00 -0.01 0.00 0.00 57.90 56.07 3fhq n TYR 83 Cb 0.35 -0.89 0.72 0.00 -0.02 0.00 0.00 39.34 39.50 3fhq n TYR 83 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 176.86 174.36 3fhq h TRP 84 N 1.41 0.08 0.00 -0.72 4.06 -1.93 -2.27 115.95 116.59 3fhq h TRP 84 Ca 0.49 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 61.43 3fhq h TRP 84 Cb 1.81 -0.02 -0.00 0.00 -1.00 0.00 0.00 29.16 29.95 3fhq h TRP 84 CO 1.32 0.01 -0.06 1.12 -3.56 0.00 0.00 178.44 177.27 3fhq h HIS 85 N 0.05 0.00 -0.66 0.49 2.07 -1.81 -1.07 115.15 114.21 3fhq h HIS 85 Ca 0.54 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.06 3fhq h HIS 85 Cb 2.08 0.00 0.00 0.00 2.57 0.00 0.00 27.41 32.06 3fhq h HIS 85 CO -0.00 0.06 0.00 0.66 -3.07 0.00 0.00 177.93 175.58 3fhq n TYR 86 N -3.34 0.88 -4.52 6.12 4.01 -0.85 -1.00 117.16 118.45 3fhq n TYR 86 Ca -0.01 -0.44 -0.33 0.00 -0.16 0.00 0.00 57.90 56.95 3fhq n TYR 86 Cb 0.22 -0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.12 3fhq n TYR 86 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3fhq s THR 87 N -1.11 3.48 -0.12 -0.72 2.01 -0.41 -4.75 115.64 114.02 3fhq s THR 87 Ca 0.47 -0.50 0.17 0.00 0.31 0.00 0.00 61.69 62.13 3fhq s THR 87 Cb 0.25 -2.51 -0.22 0.00 0.01 0.00 0.00 72.50 70.03 3fhq s THR 87 CO 0.33 0.50 0.46 0.47 -0.69 0.00 0.00 174.62 175.69 3fhq n ASP 88 N 3.64 0.44 -3.73 3.53 8.00 -0.42 -4.86 116.55 123.15 3fhq n ASP 88 Ca -0.18 0.20 -0.12 0.00 0.71 0.00 0.00 54.79 55.40 3fhq n ASP 88 Cb 0.52 0.62 -0.12 0.00 -0.02 0.00 0.00 41.12 42.12 3fhq n ASP 88 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fhq s LEU 89 N -5.61 0.44 -0.14 0.64 2.96 -0.97 -4.08 118.68 111.92 3fhq s LEU 89 Ca -0.07 0.62 0.01 0.00 -0.22 0.00 0.00 54.13 54.47 3fhq s LEU 89 Cb 0.08 0.94 -0.01 0.00 0.50 0.00 0.00 46.19 47.70 3fhq s LEU 89 CO 0.83 -0.15 -0.16 -0.32 -1.32 0.00 0.00 176.35 175.23 3fhq s MET 90 N 0.98 3.26 -0.22 1.98 -2.45 -0.52 -1.06 119.30 121.27 3fhq s MET 90 Ca -0.07 -0.74 -0.04 0.00 -1.25 0.00 0.00 55.69 53.59 3fhq s MET 90 Cb -0.08 -2.58 -0.01 0.00 1.25 0.00 0.00 34.83 33.42 3fhq s MET 90 CO -0.07 0.12 -0.04 0.08 1.05 0.00 0.00 175.02 176.16 3fhq s VAL 91 N 0.55 3.35 -0.51 10.11 1.01 0.19 0.35 120.40 135.45 3fhq s VAL 91 Ca -0.10 -0.52 -0.27 0.00 0.00 0.00 0.00 61.98 61.09 3fhq s VAL 91 Cb -0.16 -2.53 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 3fhq s VAL 91 CO 0.04 0.41 1.82 -0.47 0.00 0.00 0.00 175.10 176.90 3fhq s TYR 92 N 1.47 1.74 -0.28 5.22 6.14 0.10 -1.43 117.35 130.32 3fhq s TYR 92 Ca 0.06 0.75 -0.29 0.00 0.64 0.00 0.00 57.07 58.22 3fhq s TYR 92 Cb -0.14 -4.10 0.01 0.00 0.42 0.00 0.00 41.96 38.14 3fhq s TYR 92 CO -0.03 -2.48 1.12 -0.46 0.64 0.00 0.00 175.55 174.33 3fhq s TRP 93 N 8.25 3.10 0.24 4.97 -0.11 0.31 -4.07 118.94 131.63 3fhq s TRP 93 Ca 0.71 1.20 -0.21 0.00 1.22 0.00 0.00 56.10 59.03 3fhq s TRP 93 Cb -0.16 -3.59 0.07 0.00 -1.50 0.00 0.00 33.47 28.30 3fhq s TRP 93 CO 0.25 -0.92 0.97 0.00 -4.62 0.00 0.00 176.95 172.63 3fhq s ALA 94 N 3.61 -1.37 0.00 5.86 0.00 -1.26 -4.28 121.76 124.32 3fhq s ALA 94 Ca 0.48 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.01 3fhq s ALA 94 Cb -0.15 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.71 3fhq s ALA 94 CO 0.14 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.26 3fhq n GLY 95 N -0.65 2.80 3.43 0.00 0.00 -1.26 -4.67 105.19 104.84 3fhq n GLY 95 Ca -0.04 -1.48 -0.15 0.00 0.00 0.00 0.00 46.02 44.35 3fhq n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fhq s SER 96 N 0.00 -0.52 0.38 1.61 1.04 0.31 -4.95 113.70 111.56 3fhq s SER 96 Ca 0.00 0.28 0.11 0.00 0.48 0.00 0.00 55.95 56.82 3fhq s SER 96 Cb 0.00 0.53 0.89 0.00 0.10 0.00 0.00 66.02 67.53 3fhq s SER 96 CO 0.00 -0.74 1.89 0.00 0.98 0.00 0.00 173.24 175.37 3fhq h ALA 97 N 2.67 1.91 0.00 5.32 0.00 -1.84 -0.43 119.26 126.89 3fhq h ALA 97 Ca -0.30 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 3fhq h ALA 97 Cb 1.21 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3fhq h ALA 97 CO 0.40 -0.13 -0.34 0.78 0.00 0.00 0.00 179.25 179.96 3fhq h GLY 98 N 0.61 0.00 0.00 0.00 0.00 -1.92 -3.40 103.07 98.35 3fhq h GLY 98 Ca 0.41 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.69 3fhq h GLY 98 CO -0.17 0.00 -1.21 1.18 0.00 0.00 0.00 176.54 176.35 3fhq n GLU 99 N -2.97 2.94 0.00 4.80 1.02 -1.00 -5.12 120.64 120.31 3fhq n GLU 99 Ca 0.03 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3fhq n GLU 99 Cb 0.55 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 3fhq n GLU 99 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fhq n GLY 100 N 2.73 4.91 0.21 0.62 0.00 -0.21 -4.69 105.19 108.75 3fhq n GLY 100 Ca -0.04 -0.91 0.05 0.00 0.00 0.00 0.00 46.02 45.12 3fhq n GLY 100 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3fhq n ILE 101 N -1.92 0.00 -4.02 -0.61 -5.35 -0.38 -0.53 119.36 106.55 3fhq n ILE 101 Ca 0.00 -0.40 -0.34 0.00 -0.27 0.00 0.00 62.75 61.75 3fhq n ILE 101 Cb 0.00 1.11 -0.15 0.00 -1.74 0.00 0.00 39.64 38.86 3fhq n ILE 101 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3fhq s ILE 102 N -1.33 2.53 -0.06 7.28 1.01 -0.27 0.11 121.20 130.48 3fhq s ILE 102 Ca 0.08 -1.22 -0.02 0.00 0.00 0.00 0.00 60.65 59.49 3fhq s ILE 102 Cb 0.08 -2.32 0.03 0.00 0.01 0.00 0.00 42.46 40.26 3fhq s ILE 102 CO 0.24 0.17 0.05 0.54 0.00 0.00 0.00 174.94 175.94 3fhq s VAL 103 N 1.25 -0.01 0.75 2.92 0.11 0.90 -1.00 120.40 125.32 3fhq s VAL 103 Ca -0.02 0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 59.22 3fhq s VAL 103 Cb -0.17 -0.27 0.04 0.00 -1.53 0.00 0.00 36.38 34.45 3fhq s VAL 103 CO -0.06 0.15 1.09 -2.16 -3.33 0.00 0.00 175.10 170.79 3fhq s PRO 104 N 2.13 2.45 0.38 1.54 0.04 -1.26 -0.72 135.00 139.56 3fhq s PRO 104 Ca 0.05 0.59 -0.25 0.00 0.04 0.00 0.00 61.00 61.43 3fhq s PRO 104 Cb -0.12 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 3fhq s PRO 104 CO -0.04 -1.35 1.03 -2.14 0.04 0.00 0.00 177.00 174.54 3fhq s PRO 105 N -5.23 4.26 0.61 0.56 0.02 -1.26 -4.88 135.00 129.08 3fhq s PRO 105 Ca 0.60 1.49 -0.17 0.00 0.02 0.00 0.00 61.00 62.93 3fhq s PRO 105 Cb -0.13 -2.61 -0.02 0.00 0.02 0.00 0.00 34.50 31.76 3fhq s PRO 105 CO 0.53 -0.05 1.16 -1.54 -0.33 0.00 0.00 177.00 176.77 3fhq s SER 106 N -1.55 5.18 0.48 2.53 1.04 -1.26 -4.77 113.70 115.35 3fhq s SER 106 Ca 0.56 2.23 0.19 0.00 0.48 0.00 0.00 55.95 59.40 3fhq s SER 106 Cb -0.22 -2.58 1.19 0.00 0.10 0.00 0.00 66.02 64.51 3fhq s SER 106 CO 0.27 -1.59 1.99 0.00 0.98 0.00 0.00 173.24 174.89 3fhq h ALA 107 N 0.59 2.22 -0.35 5.32 0.00 -1.73 -1.23 119.26 124.08 3fhq h ALA 107 Ca -0.49 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 3fhq h ALA 107 Cb 1.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3fhq h ALA 107 CO 0.55 -0.36 -0.17 0.38 0.00 0.00 0.00 179.25 179.64 3fhq h ASP 108 N 0.22 0.64 0.33 0.00 2.03 -1.92 -1.78 116.42 115.95 3fhq h ASP 108 Ca 0.26 -0.20 -0.33 0.00 -0.73 0.00 0.00 57.03 56.04 3fhq h ASP 108 Cb 0.74 -0.17 0.01 0.00 -0.83 0.00 0.00 39.33 39.07 3fhq h ASP 108 CO -0.05 0.82 -1.60 0.58 -1.03 0.00 0.00 179.24 177.96 3fhq h VAL 109 N 0.58 1.10 -0.59 4.15 2.07 -1.64 -2.43 116.25 119.50 3fhq h VAL 109 Ca 0.09 -2.68 0.09 0.00 0.82 0.00 0.00 66.70 65.02 3fhq h VAL 109 Cb 0.62 2.81 -0.07 0.00 -1.52 0.00 0.00 31.29 33.13 3fhq h VAL 109 CO 0.04 0.83 0.21 0.40 0.02 0.00 0.00 177.57 179.08 3fhq h ILE 110 N 0.10 0.77 -0.06 4.57 2.04 -1.21 -1.14 117.51 122.58 3fhq h ILE 110 Ca -0.28 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.44 3fhq h ILE 110 Cb 2.07 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3fhq h ILE 110 CO 0.19 0.07 0.03 0.44 0.00 0.00 0.00 178.15 178.88 3fhq h ASP 111 N 0.39 0.08 0.13 1.72 3.32 -1.28 0.85 116.42 121.63 3fhq h ASP 111 Ca 0.30 -0.08 -0.00 0.00 0.02 0.00 0.00 57.03 57.26 3fhq h ASP 111 Cb 0.36 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 3fhq h ASP 111 CO -0.30 0.14 -0.10 0.00 -1.72 0.00 0.00 179.24 177.26 3fhq h ALA 112 N 0.94 -0.22 -0.37 3.45 0.00 -1.21 -0.71 119.26 121.14 3fhq h ALA 112 Ca 0.02 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 54.97 3fhq h ALA 112 Cb 0.08 0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 3fhq h ALA 112 CO -0.00 -0.63 -0.18 1.03 0.00 0.00 0.00 179.25 179.46 3fhq h SER 113 N -0.24 -0.62 -0.74 0.00 0.87 -1.07 -2.76 113.55 109.00 3fhq h SER 113 Ca -0.00 0.14 -0.05 0.00 -1.23 0.00 0.00 61.79 60.65 3fhq h SER 113 Cb 0.21 0.33 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 3fhq h SER 113 CO -0.01 -0.21 0.27 0.45 -0.53 0.00 0.00 176.83 176.80 3fhq h HIS 114 N -0.12 1.16 -0.49 2.24 -0.00 -0.27 -1.54 115.15 116.13 3fhq h HIS 114 Ca 0.19 -0.10 0.10 0.00 -0.00 0.00 0.00 60.37 60.56 3fhq h HIS 114 Cb 0.40 -0.34 -0.03 0.00 -0.00 0.00 0.00 27.41 27.44 3fhq h HIS 114 CO -0.41 0.89 0.34 0.00 -0.00 0.00 0.00 177.93 178.75 3fhq h ARG 115 N 1.10 0.23 -0.64 2.45 3.08 -0.85 0.25 114.38 120.01 3fhq h ARG 115 Ca 0.25 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.28 3fhq h ARG 115 Cb 0.25 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3fhq h ARG 115 CO -0.02 0.15 0.00 0.09 -1.07 0.00 0.00 179.97 179.13 3fhq n ASN 116 N -4.45 4.18 -1.95 7.04 3.02 -0.73 -4.78 115.26 117.59 3fhq n ASN 116 Ca 0.08 -2.45 -0.18 0.00 -0.03 0.00 0.00 54.58 52.00 3fhq n ASN 116 Cb 0.40 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.99 3fhq n ASN 116 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fhq n GLY 117 N 0.89 0.04 3.60 7.41 0.00 0.78 -4.76 105.19 113.15 3fhq n GLY 117 Ca 0.21 -0.12 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3fhq n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fhq s VAL 118 N -2.87 5.02 0.26 1.61 1.01 -0.66 -4.85 120.40 119.92 3fhq s VAL 118 Ca 0.00 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 3fhq s VAL 118 Cb 0.00 -3.34 -0.09 0.00 0.00 0.00 0.00 36.38 32.95 3fhq s VAL 118 CO 0.00 0.35 1.21 -2.84 0.00 0.00 0.00 175.10 173.82 3fhq s PRO 119 N 1.16 4.50 -0.10 2.72 0.02 -1.26 -3.93 135.00 138.10 3fhq s PRO 119 Ca 0.06 1.97 0.03 0.00 0.02 0.00 0.00 61.00 63.08 3fhq s PRO 119 Cb -0.14 -3.17 -0.00 0.00 0.02 0.00 0.00 34.50 31.21 3fhq s PRO 119 CO 0.05 -0.03 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.98 3fhq s ILE 120 N -0.73 2.31 0.02 2.83 2.07 -1.26 -1.44 121.20 125.00 3fhq s ILE 120 Ca 0.49 -0.93 -0.00 0.00 -1.41 0.00 0.00 60.65 58.80 3fhq s ILE 120 Cb -0.35 -1.90 -0.04 0.00 0.13 0.00 0.00 42.46 40.30 3fhq s ILE 120 CO 0.43 0.55 0.11 -0.76 -1.91 0.00 0.00 174.94 173.36 3fhq s LEU 121 N 0.28 4.00 0.74 8.50 1.43 0.16 -1.57 118.68 132.22 3fhq s LEU 121 Ca -0.15 0.16 -0.07 0.00 -1.03 0.00 0.00 54.13 53.04 3fhq s LEU 121 Cb -0.17 -2.43 0.09 0.00 0.03 0.00 0.00 46.19 43.71 3fhq s LEU 121 CO 0.08 0.24 1.06 -0.83 0.23 0.00 0.00 176.35 177.13 3fhq s GLY 122 N -1.96 1.71 -0.06 -3.19 0.00 -0.69 -0.72 107.32 102.40 3fhq s GLY 122 Ca 0.26 -1.06 0.05 0.00 0.00 0.00 0.00 44.72 43.98 3fhq s GLY 122 CO 0.17 -0.58 -0.23 0.21 0.00 0.00 0.00 173.10 172.68 3fhq s ASN 123 N -4.59 3.28 -0.34 1.64 2.47 0.10 -0.21 114.94 117.29 3fhq s ASN 123 Ca 0.63 -0.46 -0.02 0.00 0.42 0.00 0.00 52.86 53.43 3fhq s ASN 123 Cb -0.09 -0.91 0.07 0.00 -1.45 0.00 0.00 41.25 38.87 3fhq s ASN 123 CO 0.46 0.25 0.07 -0.69 -3.72 0.00 0.00 177.10 173.47 3fhq s VAL 124 N -0.19 3.06 -0.51 -5.21 1.01 -0.12 -0.07 120.40 118.37 3fhq s VAL 124 Ca -0.02 -1.66 -0.05 0.00 0.00 0.00 0.00 61.98 60.25 3fhq s VAL 124 Cb -0.14 -2.90 0.13 0.00 0.00 0.00 0.00 36.38 33.48 3fhq s VAL 124 CO 0.03 -0.33 0.33 0.12 0.00 0.00 0.00 175.10 175.25 3fhq s PHE 125 N 1.20 3.51 -0.68 5.22 5.36 0.31 -1.09 117.98 131.80 3fhq s PHE 125 Ca 0.00 -2.39 -0.24 0.00 -0.96 0.00 0.00 56.93 53.34 3fhq s PHE 125 Cb -0.21 -3.30 0.05 0.00 -0.34 0.00 0.00 43.02 39.23 3fhq s PHE 125 CO -0.02 -0.94 1.07 -0.06 -1.46 0.00 0.00 175.22 173.81 3fhq s PHE 126 N 0.75 2.54 0.45 10.12 0.08 0.71 -4.69 117.98 127.94 3fhq s PHE 126 Ca 0.11 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.60 3fhq s PHE 126 Cb -0.22 -4.40 -0.09 0.00 -0.57 0.00 0.00 43.02 37.74 3fhq s PHE 126 CO -0.03 -1.78 1.03 -2.14 -0.10 0.00 0.00 175.22 172.19 3fhq s PRO 127 N 4.64 3.98 0.48 0.24 0.02 -1.26 -1.18 135.00 141.92 3fhq s PRO 127 Ca 0.27 1.37 -0.22 0.00 0.02 0.00 0.00 61.00 62.45 3fhq s PRO 127 Cb -0.14 -2.26 -0.09 0.00 0.02 0.00 0.00 34.50 32.04 3fhq s PRO 127 CO 0.12 -0.27 0.87 -2.30 -0.33 0.00 0.00 177.00 175.09 3fhq n PRO 128 N -0.62 1.04 0.09 5.54 -0.02 -1.24 -3.64 135.00 136.14 3fhq n PRO 128 Ca 0.08 0.38 0.15 0.00 -2.02 0.00 0.00 63.50 62.08 3fhq n PRO 128 Cb 0.52 -1.95 0.65 0.00 -0.02 0.00 0.00 33.50 32.70 3fhq n PRO 128 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 3fhq h THR 129 N 1.05 0.85 0.00 3.45 1.35 -1.79 0.13 112.91 117.95 3fhq h THR 129 Ca -0.45 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3fhq h THR 129 Cb 1.36 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3fhq h THR 129 CO 0.54 0.01 0.00 0.58 -0.25 0.00 0.00 175.52 176.39 3fhq h VAL 130 N 0.04 0.00 -0.25 6.82 2.07 -1.90 -0.52 116.25 122.52 3fhq h VAL 130 Ca 0.16 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 3fhq h VAL 130 Cb 0.58 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 3fhq h VAL 130 CO -0.01 0.00 -0.01 -1.22 0.02 0.00 0.00 177.57 176.35 3fhq n TYR 131 N -2.80 0.87 -0.50 1.57 4.01 0.41 -4.92 117.16 115.81 3fhq n TYR 131 Ca -0.01 -1.05 0.00 0.00 -0.16 0.00 0.00 57.90 56.68 3fhq n TYR 131 Cb 0.12 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.82 3fhq n TYR 131 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fhq n GLY 132 N -0.75 0.75 3.64 2.72 0.00 -0.20 -4.30 105.19 107.04 3fhq n GLY 132 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.88 3fhq n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fhq n GLY 133 N -2.46 -0.14 2.74 -0.02 0.00 -0.90 -4.79 105.19 99.62 3fhq n GLY 133 Ca 0.00 -0.12 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 3fhq n GLY 133 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fhq s GLN 134 N -2.80 0.44 0.32 1.61 -1.52 -1.26 -4.52 119.66 111.92 3fhq s GLN 134 Ca 0.76 0.17 0.09 0.00 -1.95 0.00 0.00 55.36 54.42 3fhq s GLN 134 Cb -0.42 -0.88 0.87 0.00 -0.22 0.00 0.00 33.01 32.36 3fhq s GLN 134 CO 0.47 -0.32 1.72 -0.07 -0.25 0.00 0.00 175.29 176.84 3fhq h LEU 135 N 8.35 0.62 -0.64 2.90 3.38 -1.94 -2.03 115.31 125.96 3fhq h LEU 135 Ca -0.18 0.14 0.11 0.00 0.09 0.00 0.00 57.88 58.04 3fhq h LEU 135 Cb 1.12 0.05 -0.12 0.00 0.09 0.00 0.00 40.66 41.81 3fhq h LEU 135 CO 0.23 0.08 -0.38 -0.08 0.09 0.00 0.00 178.44 178.39 3fhq h GLU 136 N 0.54 -0.16 -0.76 1.13 4.81 -1.98 0.83 114.58 119.01 3fhq h GLU 136 Ca 0.64 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 60.01 3fhq h GLU 136 Cb 1.22 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 30.55 3fhq h GLU 136 CO -0.49 -0.10 0.32 -1.49 -0.73 0.00 0.00 179.01 176.51 3fhq h TRP 137 N -0.16 0.54 -0.26 0.92 6.55 -1.80 0.38 115.95 122.12 3fhq h TRP 137 Ca 0.23 0.04 -0.01 0.00 0.95 0.00 0.00 58.89 60.09 3fhq h TRP 137 Cb 0.56 -0.13 -0.01 0.00 -0.86 0.00 0.00 29.16 28.72 3fhq h TRP 137 CO -0.69 0.09 0.12 1.25 -1.05 0.00 0.00 178.44 178.15 3fhq h LEU 138 N 0.47 0.35 -0.95 -4.49 5.85 -0.97 -1.35 115.31 114.21 3fhq h LEU 138 Ca 0.41 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.98 3fhq h LEU 138 Cb 0.60 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.50 3fhq h LEU 138 CO -0.38 0.39 0.53 -0.33 -0.34 0.00 0.00 178.44 178.31 3fhq h GLU 139 N 0.28 1.26 -0.03 1.25 4.39 0.41 -1.57 114.58 120.57 3fhq h GLU 139 Ca 0.09 -0.13 0.01 0.00 0.34 0.00 0.00 59.36 59.67 3fhq h GLU 139 Cb 0.14 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3fhq h GLU 139 CO -0.01 0.90 -0.02 1.96 -1.16 0.00 0.00 179.01 180.67 3fhq h GLN 140 N 1.27 -0.03 -0.12 2.33 4.20 0.03 -2.04 115.11 120.75 3fhq h GLN 140 Ca 0.33 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.05 3fhq h GLN 140 Cb -0.02 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3fhq h GLN 140 CO -0.06 -0.02 0.08 0.52 -0.67 0.00 0.00 178.83 178.69 3fhq h MET 141 N -0.03 0.09 -0.42 1.46 2.86 -0.78 -2.44 114.93 115.67 3fhq h MET 141 Ca 0.02 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3fhq h MET 141 Cb 0.06 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.70 3fhq h MET 141 CO -0.05 0.06 0.00 1.28 1.06 0.00 0.00 176.91 179.26 3fhq n LEU 142 N -4.52 2.42 -4.77 1.22 4.77 -0.63 -4.57 117.00 110.92 3fhq n LEU 142 Ca -0.01 -1.18 -0.41 0.00 -0.03 0.00 0.00 56.01 54.39 3fhq n LEU 142 Cb 0.13 -0.28 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 3fhq n LEU 142 CO 0.34 0.59 1.10 -1.61 -1.33 0.00 0.00 177.39 176.48 3fhq s GLU 143 N -1.44 4.18 -0.04 3.23 2.02 -0.92 -4.99 118.70 120.73 3fhq s GLU 143 Ca 0.32 2.47 0.03 0.00 0.02 0.00 0.00 54.97 57.80 3fhq s GLU 143 Cb 0.17 -3.01 0.01 0.00 0.10 0.00 0.00 34.13 31.40 3fhq s GLU 143 CO 0.22 -0.44 -0.12 -1.14 0.02 0.00 0.00 175.26 173.80 3fhq s GLN 144 N -1.82 1.39 0.77 1.61 0.74 -1.26 -4.06 119.66 117.03 3fhq s GLN 144 Ca 0.53 -0.40 -0.11 0.00 0.05 0.00 0.00 55.36 55.43 3fhq s GLN 144 Cb -0.45 -1.22 0.07 0.00 1.10 0.00 0.00 33.01 32.51 3fhq s GLN 144 CO 0.58 0.10 1.13 -1.21 -0.55 0.00 0.00 175.29 175.34 3fhq s GLU 145 N 0.36 2.15 0.29 1.67 0.41 -0.52 -4.90 118.70 118.16 3fhq s GLU 145 Ca -0.08 0.07 -0.00 0.00 -0.41 0.00 0.00 54.97 54.55 3fhq s GLU 145 Cb -0.12 -2.02 0.49 0.00 -1.78 0.00 0.00 34.13 30.70 3fhq s GLU 145 CO 0.02 -1.43 1.89 0.93 -0.49 0.00 0.00 175.26 176.18 3fhq h GLU 146 N -0.88 1.05 -1.48 1.61 5.08 -2.01 0.12 114.58 118.06 3fhq h GLU 146 Ca -0.46 -0.06 0.49 0.00 -1.00 0.00 0.00 59.36 58.33 3fhq h GLU 146 Cb 1.32 -0.24 -0.12 0.00 0.50 0.00 0.00 28.75 30.21 3fhq h GLU 146 CO 0.64 0.69 0.99 -3.47 -1.00 0.00 0.00 179.01 176.87 3fhq n ASP 147 N -4.52 0.15 0.00 1.42 -0.08 -1.26 -4.82 116.55 107.45 3fhq n ASP 147 Ca 0.15 1.24 0.00 0.00 -1.51 0.00 0.00 54.79 54.68 3fhq n ASP 147 Cb 0.23 -0.61 0.00 0.00 2.34 0.00 0.00 41.12 43.07 3fhq n ASP 147 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3fhq n GLY 148 N -1.60 3.34 3.77 0.27 0.00 0.43 -5.06 105.19 106.33 3fhq n GLY 148 Ca 0.40 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.10 3fhq n GLY 148 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fhq s SER 149 N -0.70 4.76 -0.33 1.61 1.04 -1.26 -4.67 113.70 114.14 3fhq s SER 149 Ca 0.00 1.94 -0.04 0.00 0.48 0.00 0.00 55.95 58.32 3fhq s SER 149 Cb 0.00 -2.54 0.05 0.00 0.10 0.00 0.00 66.02 63.63 3fhq s SER 149 CO 0.00 -1.87 0.08 -0.36 0.98 0.00 0.00 173.24 172.07 3fhq s PHE 150 N -2.58 3.28 0.29 5.02 0.08 -1.26 -1.43 117.98 121.38 3fhq s PHE 150 Ca 0.65 -1.66 0.01 0.00 0.12 0.00 0.00 56.93 56.05 3fhq s PHE 150 Cb -0.19 -2.30 0.55 0.00 -0.57 0.00 0.00 43.02 40.51 3fhq s PHE 150 CO 0.48 -0.78 1.85 -1.35 -0.10 0.00 0.00 175.22 175.33 3fhq h PRO 151 N 8.13 0.97 0.00 0.24 0.11 -1.91 -1.53 132.00 138.02 3fhq h PRO 151 Ca -0.22 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.72 3fhq h PRO 151 Cb 1.07 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 3fhq h PRO 151 CO 0.59 0.64 -0.57 -0.07 -0.21 0.00 0.00 178.00 178.38 3fhq h LEU 152 N 1.00 0.00 -0.92 2.35 4.07 -1.85 -1.79 115.31 118.17 3fhq h LEU 152 Ca 0.47 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.40 3fhq h LEU 152 Cb 0.44 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.14 3fhq h LEU 152 CO -0.24 0.57 0.31 0.00 -1.08 0.00 0.00 178.44 178.00 3fhq h ALA 153 N 1.43 1.14 -0.91 1.53 0.00 -1.56 -1.47 119.26 119.43 3fhq h ALA 153 Ca -0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3fhq h ALA 153 Cb 1.17 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3fhq h ALA 153 CO 0.07 0.62 0.53 -0.44 0.00 0.00 0.00 179.25 180.04 3fhq h ASP 154 N 1.07 1.11 0.02 0.00 3.32 -0.74 -1.64 116.42 119.57 3fhq h ASP 154 Ca 0.25 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.14 3fhq h ASP 154 Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3fhq h ASP 154 CO -0.02 0.86 -0.25 0.11 -1.72 0.00 0.00 179.24 178.21 3fhq h LYS 155 N 1.26 0.38 -0.28 3.56 1.79 -0.98 0.39 116.57 122.69 3fhq h LYS 155 Ca 0.33 -0.14 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 3fhq h LYS 155 Cb -0.03 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.58 3fhq h LYS 155 CO -0.06 0.61 0.12 -0.07 -1.08 0.00 0.00 179.45 178.98 3fhq h LEU 156 N 0.34 0.38 -0.56 2.94 3.38 -0.43 -0.34 115.31 121.02 3fhq h LEU 156 Ca 0.05 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3fhq h LEU 156 Cb 0.63 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3fhq h LEU 156 CO 0.05 0.42 0.06 -0.07 0.09 0.00 0.00 178.44 178.98 3fhq h LEU 157 N 0.31 0.93 -0.48 1.67 3.38 -1.10 -1.85 115.31 118.16 3fhq h LEU 157 Ca 0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 3fhq h LEU 157 Cb 0.15 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3fhq h LEU 157 CO -0.01 0.97 0.25 -0.08 0.09 0.00 0.00 178.44 179.67 3fhq h GLU 158 N 0.85 0.68 -0.08 1.13 4.81 -0.80 -0.66 114.58 120.50 3fhq h GLU 158 Ca 0.17 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3fhq h GLU 158 Cb 0.46 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 3fhq h GLU 158 CO 0.02 0.55 0.05 0.28 -0.73 0.00 0.00 179.01 179.17 3fhq h VAL 159 N 0.63 1.04 -0.55 0.32 2.07 -0.94 0.65 116.25 119.47 3fhq h VAL 159 Ca 0.17 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.60 3fhq h VAL 159 Cb 0.08 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3fhq h VAL 159 CO -0.02 0.03 0.36 0.00 0.02 0.00 0.00 177.57 177.96 3fhq h ALA 160 N 1.01 1.59 -0.02 1.67 0.00 -1.21 0.50 119.26 122.78 3fhq h ALA 160 Ca 0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3fhq h ALA 160 Cb 0.01 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3fhq h ALA 160 CO -0.01 0.38 -0.10 0.22 0.00 0.00 0.00 179.25 179.74 3fhq h ASP 161 N 0.75 0.13 -0.08 0.00 3.58 -0.71 -1.54 116.42 118.55 3fhq h ASP 161 Ca 0.20 -0.64 -0.01 0.00 0.42 0.00 0.00 57.03 57.00 3fhq h ASP 161 Cb -0.07 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 3fhq h ASP 161 CO -0.04 0.75 0.00 0.22 -2.88 0.00 0.00 179.24 177.29 3fhq h TYR 162 N -0.49 0.16 0.00 0.28 3.20 -0.59 -3.20 116.97 116.34 3fhq h TYR 162 Ca -0.01 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.71 3fhq h TYR 162 Cb 0.74 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 3fhq h TYR 162 CO 0.14 0.41 -0.61 1.88 -1.64 0.00 0.00 178.16 178.34 3fhq h TYR 163 N -0.13 0.00 -0.42 -3.82 0.05 -1.02 -3.44 116.97 108.19 3fhq h TYR 163 Ca 0.02 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3fhq h TYR 163 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 3fhq h TYR 163 CO 0.03 0.61 0.00 0.41 -1.05 0.00 0.00 178.16 178.16 3fhq n GLY 164 N 0.94 0.69 1.22 3.88 0.00 -0.65 0.23 105.19 111.50 3fhq n GLY 164 Ca 0.01 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 3fhq n GLY 164 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3fhq n PHE 165 N -0.43 0.21 -1.25 1.61 -1.74 -0.78 -4.77 117.46 110.31 3fhq n PHE 165 Ca 0.00 -0.90 0.07 0.00 -0.56 0.00 0.00 57.45 56.06 3fhq n PHE 165 Cb 0.13 -0.05 0.18 0.00 1.52 0.00 0.00 39.48 41.26 3fhq n PHE 165 CO 0.00 0.00 0.00 -0.25 -0.56 0.00 0.00 176.76 175.95 3fhq n ASP 166 N -1.53 2.40 0.00 5.98 8.00 -0.61 -4.64 116.55 126.16 3fhq n ASP 166 Ca -0.04 -3.39 0.00 0.00 0.71 0.00 0.00 54.79 52.07 3fhq n ASP 166 Cb 0.22 -0.50 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 3fhq n ASP 166 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fhq n GLY 167 N -1.19 0.69 3.21 0.44 0.00 -1.26 0.12 105.19 107.21 3fhq n GLY 167 Ca 0.20 -1.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 3fhq n GLY 167 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fhq s TRP 168 N -1.76 -0.18 -0.19 1.61 0.52 -0.24 -1.71 118.94 116.99 3fhq s TRP 168 Ca 0.00 0.31 -0.09 0.00 0.02 0.00 0.00 56.10 56.34 3fhq s TRP 168 Cb 0.00 0.08 -0.05 0.00 -1.15 0.00 0.00 33.47 32.35 3fhq s TRP 168 CO 0.00 -0.33 0.11 0.12 0.02 0.00 0.00 176.95 176.87 3fhq s PHE 169 N -1.06 3.36 -0.25 -1.98 5.36 0.71 -1.16 117.98 122.96 3fhq s PHE 169 Ca -0.11 0.25 -0.05 0.00 -0.96 0.00 0.00 56.93 56.06 3fhq s PHE 169 Cb -0.05 -2.13 -0.01 0.00 -0.34 0.00 0.00 43.02 40.49 3fhq s PHE 169 CO 0.03 0.25 0.02 0.42 -1.46 0.00 0.00 175.22 174.49 3fhq s ILE 170 N 0.35 3.77 -0.34 3.12 -1.09 0.52 -0.95 121.20 126.58 3fhq s ILE 170 Ca 0.07 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.04 3fhq s ILE 170 Cb -0.11 -2.80 0.10 0.00 -1.58 0.00 0.00 42.46 38.07 3fhq s ILE 170 CO -0.01 0.30 0.06 0.21 -1.23 0.00 0.00 174.94 174.27 3fhq s ASN 171 N 1.52 4.67 -0.47 3.58 2.47 -0.25 -1.31 114.94 125.15 3fhq s ASN 171 Ca 0.05 -2.14 -0.10 0.00 0.42 0.00 0.00 52.86 51.09 3fhq s ASN 171 Cb -0.15 -1.55 0.12 0.00 -1.45 0.00 0.00 41.25 38.22 3fhq s ASN 171 CO 0.00 -0.38 0.35 -1.58 -3.72 0.00 0.00 177.10 171.78 3fhq s GLN 172 N 0.93 2.52 0.00 0.43 -0.44 -1.26 -0.21 119.66 121.63 3fhq s GLN 172 Ca 0.11 -1.75 0.00 0.00 -2.50 0.00 0.00 55.36 51.22 3fhq s GLN 172 Cb -0.19 -3.95 0.00 0.00 -1.64 0.00 0.00 33.01 27.23 3fhq s GLN 172 CO -0.09 -1.19 0.65 0.39 0.50 0.00 0.00 175.29 175.54 3fhq n GLU 173 N 4.94 1.04 -2.33 1.67 1.02 -0.32 -3.60 120.64 123.05 3fhq n GLU 173 Ca -0.08 -0.86 -0.43 0.00 -0.02 0.00 0.00 57.16 55.77 3fhq n GLU 173 Cb 0.41 -0.83 -0.02 0.00 -0.02 0.00 0.00 31.44 30.98 3fhq n GLU 173 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3fhq s THR 174 N -0.42 4.11 0.78 2.62 2.01 -1.16 -3.68 115.64 119.90 3fhq s THR 174 Ca 0.00 1.36 -0.11 0.00 0.31 0.00 0.00 61.69 63.24 3fhq s THR 174 Cb 0.00 -3.88 0.06 0.00 0.01 0.00 0.00 72.50 68.70 3fhq s THR 174 CO 0.00 -0.11 1.09 -1.61 -0.69 0.00 0.00 174.62 173.30 3fhq s GLU 175 N 3.51 2.19 0.00 4.92 8.01 -1.26 -4.45 118.70 131.62 3fhq s GLU 175 Ca 0.59 0.72 0.00 0.00 0.01 0.00 0.00 54.97 56.29 3fhq s GLU 175 Cb -0.25 -1.92 0.00 0.00 -4.31 0.00 0.00 34.13 27.65 3fhq s GLU 175 CO 0.18 -1.56 0.00 0.41 0.01 0.00 0.00 175.26 174.30 3fhq n GLY 176 N -2.00 0.81 3.76 -1.39 0.00 -1.26 -4.68 105.19 100.43 3fhq n GLY 176 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 3fhq n GLY 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhq s ALA 177 N -2.00 3.46 0.65 4.61 0.00 -1.26 -5.08 121.76 122.15 3fhq s ALA 177 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 3fhq s ALA 177 Cb 0.00 -2.78 0.09 0.00 0.00 0.00 0.00 23.12 20.43 3fhq s ALA 177 CO 0.00 0.13 0.61 -0.40 0.00 0.00 0.00 175.76 176.11 3fhq n ASP 178 N 2.83 0.69 0.25 0.00 5.68 -1.26 -4.04 116.55 120.69 3fhq n ASP 178 Ca -0.06 -1.61 0.12 0.00 -0.50 0.00 0.00 54.79 52.74 3fhq n ASP 178 Cb 0.51 -0.41 0.62 0.00 -1.14 0.00 0.00 41.12 40.70 3fhq n ASP 178 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3fhq h GLU 179 N 0.00 0.00 -0.33 0.11 4.81 -1.75 -2.54 114.58 114.88 3fhq h GLU 179 Ca -0.20 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.86 3fhq h GLU 179 Cb 0.71 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.09 3fhq h GLU 179 CO 0.20 0.16 -0.44 0.78 -0.73 0.00 0.00 179.01 178.98 3fhq h GLY 180 N 1.39 0.95 0.98 1.92 0.00 -1.92 -1.70 103.07 104.69 3fhq h GLY 180 Ca -0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 47.33 46.30 3fhq h GLY 180 CO 0.02 0.91 0.26 -0.84 0.00 0.00 0.00 176.54 176.89 3fhq h THR 181 N 0.70 1.20 -0.14 4.70 2.02 -1.86 -0.60 112.91 118.92 3fhq h THR 181 Ca 0.04 -0.55 0.04 0.00 0.77 0.00 0.00 66.41 66.71 3fhq h THR 181 Cb 1.03 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 68.00 3fhq h THR 181 CO 0.10 0.22 -0.09 0.00 0.37 0.00 0.00 175.52 176.12 3fhq h ALA 182 N 1.09 0.03 -0.56 6.16 0.00 -1.27 0.92 119.26 125.64 3fhq h ALA 182 Ca 0.18 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 3fhq h ALA 182 Cb 0.11 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3fhq h ALA 182 CO -0.02 -0.53 0.23 0.93 0.00 0.00 0.00 179.25 179.85 3fhq h GLU 183 N -0.09 0.80 -0.63 0.00 5.08 -1.12 -1.21 114.58 117.42 3fhq h GLU 183 Ca 0.09 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 3fhq h GLU 183 Cb 0.22 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3fhq h GLU 183 CO -0.20 0.65 0.05 0.00 -1.00 0.00 0.00 179.01 178.51 3fhq h ALA 184 N 1.46 0.90 -0.58 3.43 0.00 -0.17 -0.36 119.26 123.95 3fhq h ALA 184 Ca 0.19 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3fhq h ALA 184 Cb 0.15 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3fhq h ALA 184 CO -0.02 0.66 0.38 1.98 0.00 0.00 0.00 179.25 182.26 3fhq h MET 185 N 0.98 0.77 -0.71 0.00 1.85 -0.17 0.41 114.93 118.07 3fhq h MET 185 Ca 0.19 -0.05 -0.03 0.00 -0.61 0.00 0.00 59.70 59.20 3fhq h MET 185 Cb 0.49 -0.17 -0.03 0.00 0.43 0.00 0.00 31.60 32.32 3fhq h MET 185 CO 0.02 0.51 0.33 1.96 -0.40 0.00 0.00 176.91 179.33 3fhq h GLN 186 N 0.79 1.01 -0.43 0.39 4.20 -0.85 0.17 115.11 120.40 3fhq h GLN 186 Ca 0.21 -0.14 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 3fhq h GLN 186 Cb -0.09 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 3fhq h GLN 186 CO -0.05 0.79 -0.23 0.00 -0.67 0.00 0.00 178.83 178.67 3fhq h ALA 187 N 1.35 0.60 -0.23 3.87 0.00 -0.35 -1.15 119.26 123.36 3fhq h ALA 187 Ca 0.24 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3fhq h ALA 187 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3fhq h ALA 187 CO -0.03 0.60 0.12 0.35 0.00 0.00 0.00 179.25 180.29 3fhq h PHE 188 N 0.74 0.23 -0.70 0.00 3.57 0.53 0.19 116.94 121.51 3fhq h PHE 188 Ca 0.09 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 3fhq h PHE 188 Cb 0.80 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.44 3fhq h PHE 188 CO 0.06 0.14 0.16 -0.07 -2.23 0.00 0.00 178.31 176.36 3fhq h LEU 189 N 0.26 1.07 -0.68 0.59 3.38 -0.59 -1.17 115.31 118.17 3fhq h LEU 189 Ca 0.09 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 3fhq h LEU 189 Cb 0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3fhq h LEU 189 CO -0.05 1.03 0.23 0.58 0.09 0.00 0.00 178.44 180.32 3fhq h VAL 190 N 1.06 1.25 -0.73 1.22 2.07 -0.94 -1.78 116.25 118.40 3fhq h VAL 190 Ca 0.22 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 3fhq h VAL 190 Cb 0.39 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3fhq h VAL 190 CO 0.00 0.33 0.42 0.22 0.02 0.00 0.00 177.57 178.56 3fhq h TYR 191 N 0.98 0.99 -0.22 1.57 3.20 -0.26 -1.58 116.97 121.65 3fhq h TYR 191 Ca 0.22 -0.02 0.05 0.00 3.14 0.00 0.00 58.73 62.13 3fhq h TYR 191 Cb 0.28 -0.32 -0.06 0.00 1.54 0.00 0.00 36.73 38.17 3fhq h TYR 191 CO 0.02 0.69 -0.14 -0.07 -1.64 0.00 0.00 178.16 177.01 3fhq h LEU 192 N 1.00 -0.46 -0.59 2.82 4.07 -0.84 -0.94 115.31 120.37 3fhq h LEU 192 Ca 0.26 0.10 0.07 0.00 0.08 0.00 0.00 57.88 58.39 3fhq h LEU 192 Cb 0.01 0.24 -0.06 0.00 1.08 0.00 0.00 40.66 41.93 3fhq h LEU 192 CO -0.04 -0.18 0.27 1.56 -1.08 0.00 0.00 178.44 178.97 3fhq h GLN 193 N -0.13 0.49 -0.52 1.13 1.08 -0.72 0.12 115.11 116.55 3fhq h GLN 193 Ca 0.12 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.22 3fhq h GLN 193 Cb 0.32 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 3fhq h GLN 193 CO -0.30 0.32 0.02 0.93 -0.95 0.00 0.00 178.83 178.85 3fhq h GLU 194 N 0.50 0.86 0.00 1.46 5.08 -0.96 -3.30 114.58 118.23 3fhq h GLU 194 Ca 0.28 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3fhq h GLU 194 Cb 0.26 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3fhq h GLU 194 CO -0.23 0.85 -1.20 1.04 -1.00 0.00 0.00 179.01 178.47 3fhq n GLN 195 N -4.21 0.45 -1.98 2.33 1.13 -0.39 -4.98 117.38 109.72 3fhq n GLN 195 Ca 0.03 -0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.74 3fhq n GLN 195 Cb 0.30 -1.65 0.03 0.00 0.11 0.00 0.00 30.24 29.03 3fhq n GLN 195 CO 0.00 0.00 0.00 -1.59 -1.44 0.00 0.00 177.06 174.03 3fhq s LYS 196 N -3.31 2.99 0.64 -1.09 -2.85 0.36 -5.02 119.74 111.47 3fhq s LYS 196 Ca 0.00 1.62 -0.16 0.00 -1.00 0.00 0.00 55.97 56.43 3fhq s LYS 196 Cb 0.13 -1.96 -0.01 0.00 -2.06 0.00 0.00 37.83 33.94 3fhq s LYS 196 CO 0.82 -1.14 1.15 -2.14 0.10 0.00 0.00 175.35 174.14 3fhq s PRO 197 N -3.58 2.77 0.35 1.78 0.02 -1.26 -4.96 135.00 130.12 3fhq s PRO 197 Ca 0.72 1.60 -0.28 0.00 0.02 0.00 0.00 61.00 63.06 3fhq s PRO 197 Cb -0.25 -1.93 -0.12 0.00 0.02 0.00 0.00 34.50 32.22 3fhq s PRO 197 CO 0.34 -1.31 1.42 -1.91 -0.33 0.00 0.00 177.00 175.21 3fhq n GLU 198 N -2.15 2.45 0.00 5.54 2.13 -1.26 -2.14 120.64 125.21 3fhq n GLU 198 Ca 0.12 0.86 0.00 0.00 0.66 0.00 0.00 57.16 58.80 3fhq n GLU 198 Cb 0.51 -2.54 0.00 0.00 0.27 0.00 0.00 31.44 29.68 3fhq n GLU 198 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fhq n GLY 199 N 0.85 3.01 3.75 8.31 0.00 -1.26 -5.04 105.19 114.81 3fhq n GLY 199 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3fhq n GLY 199 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3fhq s MET 200 N -0.13 3.23 -0.13 1.61 -2.45 -0.91 -4.97 119.30 115.55 3fhq s MET 200 Ca 0.00 2.07 0.00 0.00 -1.25 0.00 0.00 55.69 56.51 3fhq s MET 200 Cb 0.00 -2.23 0.02 0.00 1.25 0.00 0.00 34.83 33.88 3fhq s MET 200 CO 0.00 -1.07 -0.11 -1.58 1.05 0.00 0.00 175.02 173.32 3fhq s HIS 201 N -1.40 1.80 -0.28 4.11 2.46 0.12 -4.96 115.29 117.13 3fhq s HIS 201 Ca 0.71 -0.95 -0.06 0.00 0.47 0.00 0.00 55.06 55.23 3fhq s HIS 201 Cb -0.36 -1.39 0.01 0.00 -0.13 0.00 0.00 32.58 30.70 3fhq s HIS 201 CO 0.42 -0.58 0.06 0.42 -2.47 0.00 0.00 174.74 172.60 3fhq s ILE 202 N 1.57 3.88 -0.14 0.89 -1.09 -1.26 -1.08 121.20 123.98 3fhq s ILE 202 Ca 0.04 -0.67 -0.03 0.00 -2.23 0.00 0.00 60.65 57.76 3fhq s ILE 202 Cb -0.13 -2.98 -0.03 0.00 -1.58 0.00 0.00 42.46 37.75 3fhq s ILE 202 CO -0.09 0.12 -0.03 -0.32 -1.23 0.00 0.00 174.94 173.39 3fhq s MET 203 N 1.49 3.54 -0.11 2.79 -2.45 -0.31 -1.18 119.30 123.08 3fhq s MET 203 Ca 0.03 -0.51 -0.02 0.00 -1.25 0.00 0.00 55.69 53.94 3fhq s MET 203 Cb -0.17 -2.88 -0.03 0.00 1.25 0.00 0.00 34.83 33.00 3fhq s MET 203 CO 0.02 0.32 -0.03 -0.46 1.05 0.00 0.00 175.02 175.92 3fhq s TRP 204 N 0.14 3.05 0.11 4.11 -0.11 -0.37 -0.36 118.94 125.52 3fhq s TRP 204 Ca -0.01 -0.02 -0.30 0.00 1.22 0.00 0.00 56.10 56.99 3fhq s TRP 204 Cb -0.14 -1.83 -0.06 0.00 -1.50 0.00 0.00 33.47 29.95 3fhq s TRP 204 CO 0.03 0.25 0.94 -0.47 -4.62 0.00 0.00 176.95 173.09 3fhq s TYR 205 N -0.42 3.81 -1.14 5.86 5.04 -0.42 -0.33 117.35 129.76 3fhq s TYR 205 Ca 0.07 1.78 -0.24 0.00 -2.44 0.00 0.00 57.07 56.23 3fhq s TYR 205 Cb -0.12 -3.03 -0.15 0.00 0.35 0.00 0.00 41.96 39.00 3fhq s TYR 205 CO 0.02 0.22 2.02 0.34 -1.34 0.00 0.00 175.55 176.81 3fhq s ASP 206 N -0.03 4.31 0.00 4.32 2.15 -0.13 -4.50 116.67 122.78 3fhq s ASP 206 Ca 0.46 -1.35 0.00 0.00 0.43 0.00 0.00 52.55 52.09 3fhq s ASP 206 Cb -0.23 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.80 3fhq s ASP 206 CO 0.29 -3.84 0.00 -1.54 -0.17 0.00 0.00 175.17 169.91 3fhq n SER 207 N 16.79 0.00 -4.66 -0.34 3.41 -1.26 -4.27 113.62 123.29 3fhq n SER 207 Ca 0.43 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.62 3fhq n SER 207 Cb 0.47 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.39 3fhq n SER 207 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3fhq s MET 208 N -0.32 4.17 0.16 4.33 -2.45 -1.24 -1.79 119.30 122.16 3fhq s MET 208 Ca 0.00 2.35 -0.01 0.00 -1.25 0.00 0.00 55.69 56.79 3fhq s MET 208 Cb 0.00 -4.04 0.03 0.00 1.25 0.00 0.00 34.83 32.07 3fhq s MET 208 CO 0.00 -0.88 0.22 0.44 1.05 0.00 0.00 175.02 175.84 3fhq n ILE 209 N 5.48 0.00 0.07 10.11 -5.35 -0.30 -4.89 119.36 124.48 3fhq n ILE 209 Ca 0.18 -0.29 0.05 0.00 -0.27 0.00 0.00 62.75 62.42 3fhq n ILE 209 Cb 0.42 -1.43 0.48 0.00 -1.74 0.00 0.00 39.64 37.37 3fhq n ILE 209 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 3fhq h ASP 210 N -0.18 0.34 0.91 7.28 3.04 -1.47 -1.16 116.42 125.18 3fhq h ASP 210 Ca -0.07 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.71 3fhq h ASP 210 Cb 0.25 -0.08 0.00 0.00 -1.04 0.00 0.00 39.33 38.45 3fhq h ASP 210 CO 0.07 0.25 0.00 0.35 -2.04 0.00 0.00 179.24 177.87 3fhq n THR 211 N -4.49 0.27 0.00 1.15 -2.24 -1.26 -4.72 114.28 102.99 3fhq n THR 211 Ca 0.01 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 3fhq n THR 211 Cb 0.07 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 3fhq n THR 211 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fhq n GLY 212 N 1.13 1.71 3.73 3.38 0.00 -0.44 -2.29 105.19 112.41 3fhq n GLY 212 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 3fhq n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fhq s ALA 213 N -2.33 2.17 -0.36 4.61 0.00 -1.26 -4.34 121.76 120.25 3fhq s ALA 213 Ca 0.00 0.74 -0.18 0.00 0.00 0.00 0.00 51.96 52.52 3fhq s ALA 213 Cb 0.00 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 3fhq s ALA 213 CO 0.00 -1.77 0.50 0.42 0.00 0.00 0.00 175.76 174.90 3fhq s ILE 214 N -2.18 5.03 -0.47 0.00 1.01 -1.26 -1.14 121.20 122.19 3fhq s ILE 214 Ca 0.71 0.22 0.06 0.00 0.00 0.00 0.00 60.65 61.64 3fhq s ILE 214 Cb -0.26 -3.97 0.24 0.00 0.01 0.00 0.00 42.46 38.48 3fhq s ILE 214 CO 0.46 -0.25 0.79 0.00 0.00 0.00 0.00 174.94 175.93 3fhq n ALA 215 N 5.72 -0.51 -1.30 9.38 0.00 -0.74 -4.98 120.51 128.08 3fhq n ALA 215 Ca -0.05 -1.86 -0.51 0.00 0.00 0.00 0.00 53.44 51.02 3fhq n ALA 215 Cb 0.49 -1.22 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 3fhq n ALA 215 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 3fhq n TRP 216 N 1.70 0.77 0.00 0.00 8.01 -1.23 -4.78 117.44 121.91 3fhq n TRP 216 Ca 0.13 0.90 0.02 0.00 -1.31 0.00 0.00 57.50 57.24 3fhq n TRP 216 Cb 0.60 -1.77 -0.11 0.00 -2.01 0.00 0.00 31.31 28.02 3fhq n TRP 216 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.69 177.72 3fhq n GLN 217 N 1.78 0.64 -0.88 -0.99 1.13 -1.26 -4.96 117.38 112.84 3fhq n GLN 217 Ca 0.19 0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.31 3fhq n GLN 217 Cb 0.04 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 28.71 3fhq n GLN 217 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3fhq n ASN 218 N -2.67 -2.84 -3.83 1.08 3.02 -1.26 -4.88 115.26 103.87 3fhq n ASN 218 Ca -0.12 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.35 3fhq n ASN 218 Cb 0.80 -1.97 -0.03 0.00 -0.61 0.00 0.00 39.78 37.97 3fhq n ASN 218 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3fhq s HIS 219 N -1.73 -0.06 -0.24 3.10 3.76 -1.26 -4.60 115.29 114.26 3fhq s HIS 219 Ca 0.00 -0.33 -0.28 0.00 -0.15 0.00 0.00 55.06 54.30 3fhq s HIS 219 Cb 0.00 0.49 0.01 0.00 1.11 0.00 0.00 32.58 34.19 3fhq s HIS 219 CO 0.00 -1.07 0.98 -1.17 -0.85 0.00 0.00 174.74 172.63 3fhq s LEU 220 N -2.92 4.09 0.00 0.89 2.96 -1.26 -4.95 118.68 117.49 3fhq s LEU 220 Ca 0.13 1.28 0.04 0.00 -0.22 0.00 0.00 54.13 55.35 3fhq s LEU 220 Cb -0.03 -3.44 -0.01 0.00 0.50 0.00 0.00 46.19 43.20 3fhq s LEU 220 CO 0.04 -0.63 0.13 0.35 -1.32 0.00 0.00 176.35 174.92 3fhq n THR 221 N 5.32 0.00 0.30 3.68 -2.24 -1.26 -4.55 114.28 115.52 3fhq n THR 221 Ca 0.10 -2.38 0.18 0.00 -2.27 0.00 0.00 64.05 59.68 3fhq n THR 221 Cb 0.46 0.82 0.93 0.00 -2.10 0.00 0.00 70.33 70.45 3fhq n THR 221 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3fhq h ASP 222 N 1.59 0.00 1.94 3.42 3.32 -2.00 -0.43 116.42 124.26 3fhq h ASP 222 Ca -0.33 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.72 3fhq h ASP 222 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 3fhq h ASP 222 CO 0.52 0.04 -0.06 0.03 -1.72 0.00 0.00 179.24 178.04 3fhq h ARG 223 N 0.00 0.00 0.00 3.56 2.47 -1.97 -3.37 114.38 115.06 3fhq h ARG 223 Ca -0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3fhq h ARG 223 Cb 0.21 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 3fhq h ARG 223 CO 0.00 0.02 0.00 0.27 0.56 0.00 0.00 179.97 180.83 3fhq n ASN 224 N -3.09 0.20 0.28 7.04 0.23 -1.05 -1.18 115.26 117.70 3fhq n ASN 224 Ca 0.04 -0.54 0.16 0.00 -0.53 0.00 0.00 54.58 53.70 3fhq n ASN 224 Cb 0.54 0.32 0.84 0.00 -2.08 0.00 0.00 39.78 39.40 3fhq n ASN 224 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3fhq h LYS 225 N 0.00 0.00 0.00 -3.83 2.10 -1.25 -1.63 116.57 111.96 3fhq h LYS 225 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fhq h LYS 225 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 3fhq h LYS 225 CO 0.00 0.07 0.00 0.00 -2.00 0.00 0.00 179.45 177.52 3fhq n MET 226 N -3.49 0.04 0.01 0.07 0.00 -1.26 -1.31 117.12 111.18 3fhq n MET 226 Ca -0.02 0.26 0.11 0.00 0.00 0.00 0.00 57.70 58.06 3fhq n MET 226 Cb 0.19 -1.50 0.10 0.00 0.00 0.00 0.00 33.22 32.02 3fhq n MET 226 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3fhq n TYR 227 N -1.45 0.11 -0.10 3.17 4.01 -0.61 -4.35 117.16 117.94 3fhq n TYR 227 Ca 0.04 0.03 -0.20 0.00 -0.16 0.00 0.00 57.90 57.61 3fhq n TYR 227 Cb 0.13 -0.28 -0.07 0.00 -0.31 0.00 0.00 39.34 38.82 3fhq n TYR 227 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3fhq n LEU 228 N -1.67 1.55 -3.68 7.72 7.94 -0.68 -3.46 117.00 124.72 3fhq n LEU 228 Ca 0.04 0.27 -0.11 0.00 -1.11 0.00 0.00 56.01 55.10 3fhq n LEU 228 Cb 0.37 -0.63 -0.09 0.00 0.53 0.00 0.00 43.42 43.60 3fhq n LEU 228 CO 0.38 0.30 0.19 -1.58 -1.11 0.00 0.00 177.39 175.57 3fhq s GLN 229 N -2.45 0.56 -0.31 1.96 2.00 -0.43 -1.15 119.66 119.85 3fhq s GLN 229 Ca -0.29 0.87 0.01 0.00 -2.00 0.00 0.00 55.36 53.96 3fhq s GLN 229 Cb 0.10 0.15 0.09 0.00 0.80 0.00 0.00 33.01 34.15 3fhq s GLN 229 CO 0.37 -0.12 0.06 1.21 -0.50 0.00 0.00 175.29 176.31 3fhq s ASN 230 N 1.00 4.22 1.34 6.67 3.84 -0.12 -4.18 114.94 127.70 3fhq s ASN 230 Ca -0.06 -1.73 0.00 0.00 0.21 0.00 0.00 52.86 51.28 3fhq s ASN 230 Cb -0.06 -1.13 0.00 0.00 -0.55 0.00 0.00 41.25 39.51 3fhq s ASN 230 CO -0.09 -0.38 0.00 0.61 -2.79 0.00 0.00 177.10 174.45 3fhq n GLY 231 N 4.65 2.52 0.92 1.21 0.00 -1.26 -0.81 105.19 112.41 3fhq n GLY 231 Ca -0.01 0.35 0.12 0.00 0.00 0.00 0.00 46.02 46.47 3fhq n GLY 231 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3fhq n SER 232 N 8.08 2.91 -4.76 1.61 3.41 -1.26 -4.88 113.62 118.73 3fhq n SER 232 Ca 0.00 -1.95 -0.39 0.00 -0.26 0.00 0.00 58.87 56.27 3fhq n SER 232 Cb 0.00 0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 63.92 3fhq n SER 232 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3fhq s THR 233 N -2.00 4.99 -0.15 6.66 2.01 0.01 -5.06 115.64 122.10 3fhq s THR 233 Ca 0.27 1.15 -0.18 0.00 0.31 0.00 0.00 61.69 63.25 3fhq s THR 233 Cb 0.20 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 3fhq s THR 233 CO 0.31 0.41 0.46 -0.60 -0.69 0.00 0.00 174.62 174.51 3fhq s ARG 234 N -0.07 4.28 -0.22 4.92 3.52 -1.26 -0.95 118.95 129.17 3fhq s ARG 234 Ca 0.29 0.37 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 3fhq s ARG 234 Cb -0.17 -3.48 -0.14 0.00 -1.56 0.00 0.00 34.95 29.60 3fhq s ARG 234 CO 0.15 0.07 -0.20 0.28 -0.81 0.00 0.00 175.30 174.79 3fhq n VAL 235 N 3.96 1.27 -3.85 7.11 0.31 -0.30 -4.68 118.33 122.15 3fhq n VAL 235 Ca -0.07 -0.48 -0.09 0.00 -0.01 0.00 0.00 64.34 63.69 3fhq n VAL 235 Cb 0.51 -1.32 -0.08 0.00 -0.91 0.00 0.00 33.84 32.05 3fhq n VAL 235 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fhq s ALA 236 N -2.44 -0.26 -0.18 3.52 0.00 -0.75 -4.00 121.76 117.65 3fhq s ALA 236 Ca -0.30 -0.53 0.20 0.00 0.00 0.00 0.00 51.96 51.32 3fhq s ALA 236 Cb 0.08 0.43 0.34 0.00 0.00 0.00 0.00 23.12 23.97 3fhq s ALA 236 CO 0.51 -0.47 1.58 -0.44 0.00 0.00 0.00 175.76 176.93 3fhq h ASP 237 N 2.94 0.00 -5.16 0.00 3.32 -1.45 -3.45 116.42 112.61 3fhq h ASP 237 Ca -0.33 0.00 0.13 0.00 0.02 0.00 0.00 57.03 56.85 3fhq h ASP 237 Cb 1.20 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.67 3fhq h ASP 237 CO 0.54 0.29 0.40 -0.94 -1.72 0.00 0.00 179.24 177.81 3fhq s SER 238 N -6.31 -0.24 -0.03 6.45 1.04 -1.19 -4.86 113.70 108.57 3fhq s SER 238 Ca 0.04 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 56.10 3fhq s SER 238 Cb 0.07 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.75 3fhq s SER 238 CO 0.70 -1.00 -0.08 -0.32 0.98 0.00 0.00 173.24 173.52 3fhq s MET 239 N -3.46 0.93 -0.46 4.02 1.75 -0.33 -1.24 119.30 120.52 3fhq s MET 239 Ca 0.11 -0.27 -0.19 0.00 -1.25 0.00 0.00 55.69 54.09 3fhq s MET 239 Cb -0.03 -0.87 0.04 0.00 2.84 0.00 0.00 34.83 36.81 3fhq s MET 239 CO 0.02 0.08 0.55 0.12 -0.65 0.00 0.00 175.02 175.14 3fhq s PHE 240 N 0.28 3.11 0.22 4.11 5.36 0.56 -0.32 117.98 131.30 3fhq s PHE 240 Ca -0.04 -0.44 -0.30 0.00 -0.96 0.00 0.00 56.93 55.19 3fhq s PHE 240 Cb -0.09 -3.27 -0.09 0.00 -0.34 0.00 0.00 43.02 39.23 3fhq s PHE 240 CO 0.01 -0.88 1.22 -0.51 -1.46 0.00 0.00 175.22 173.59 3fhq s LEU 241 N 2.42 4.46 0.96 6.12 1.02 0.18 -0.95 118.68 132.89 3fhq s LEU 241 Ca 0.14 2.32 -0.11 0.00 0.02 0.00 0.00 54.13 56.50 3fhq s LEU 241 Cb -0.18 -3.61 0.17 0.00 0.02 0.00 0.00 46.19 42.58 3fhq s LEU 241 CO 0.13 -0.39 1.10 0.21 0.02 0.00 0.00 176.35 177.42 3fhq s ASN 242 N -0.04 2.70 0.41 2.29 2.47 -1.26 -1.15 114.94 120.36 3fhq s ASN 242 Ca 0.52 1.81 0.27 0.00 0.42 0.00 0.00 52.86 55.88 3fhq s ASN 242 Cb -0.34 -2.40 0.87 0.00 -1.45 0.00 0.00 41.25 37.93 3fhq s ASN 242 CO 0.39 -3.17 1.78 -0.26 -3.72 0.00 0.00 177.10 172.12 3fhq h PHE 243 N -1.92 0.00 -1.40 0.43 -1.00 -1.91 -3.39 116.94 107.75 3fhq h PHE 243 Ca -0.50 0.00 -0.76 0.00 2.81 0.00 0.00 57.97 59.53 3fhq h PHE 243 Cb 1.29 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.69 3fhq h PHE 243 CO 0.43 0.00 2.10 0.91 -1.61 0.00 0.00 178.31 180.14 3fhq n TRP 244 N -2.83 2.70 -4.23 -0.55 8.01 -1.26 -4.88 117.44 114.39 3fhq n TRP 244 Ca 0.03 -2.78 -0.21 0.00 -1.31 0.00 0.00 57.50 53.23 3fhq n TRP 244 Cb 0.39 -1.81 -0.12 0.00 -2.01 0.00 0.00 31.31 27.76 3fhq n TRP 244 CO 0.00 0.00 0.00 1.67 -1.01 0.00 0.00 177.69 178.35 3fhq s TRP 245 N -0.82 1.50 -0.04 -5.99 1.48 -1.26 -4.86 118.94 108.95 3fhq s TRP 245 Ca 0.46 -0.46 0.04 0.00 -1.06 0.00 0.00 56.10 55.09 3fhq s TRP 245 Cb 0.14 -0.82 -0.07 0.00 -1.16 0.00 0.00 33.47 31.57 3fhq s TRP 245 CO -0.04 0.14 0.11 0.54 -4.06 0.00 0.00 176.95 173.64 3fhq n ARG 246 N 1.05 1.00 -3.66 3.25 5.12 -1.26 -4.86 116.66 117.30 3fhq n ARG 246 Ca -0.19 -0.03 -0.14 0.00 -1.93 0.00 0.00 57.85 55.56 3fhq n ARG 246 Cb 0.54 -1.04 -0.07 0.00 -1.16 0.00 0.00 32.46 30.74 3fhq n ARG 246 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3fhq s ASP 247 N -2.34 -0.33 0.00 0.55 2.15 -1.26 -4.02 116.67 111.42 3fhq s ASP 247 Ca -0.01 0.11 0.00 0.00 0.43 0.00 0.00 52.55 53.08 3fhq s ASP 247 Cb 0.03 0.42 0.00 0.00 -0.30 0.00 0.00 42.92 43.07 3fhq s ASP 247 CO 0.19 -0.63 0.56 0.00 -0.17 0.00 0.00 175.17 175.12 3fhq n GLN 248 N 0.67 0.37 -0.28 4.34 1.13 -0.43 -4.74 117.38 118.44 3fhq n GLN 248 Ca -0.19 -0.69 0.09 0.00 -1.94 0.00 0.00 57.00 54.26 3fhq n GLN 248 Cb 0.59 -0.87 0.24 0.00 0.11 0.00 0.00 30.24 30.31 3fhq n GLN 248 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 3fhq h ARG 249 N 0.00 0.34 -0.42 -1.09 2.43 -1.92 -1.21 114.38 112.51 3fhq h ARG 249 Ca 0.00 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 3fhq h ARG 249 Cb 0.32 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3fhq h ARG 249 CO 0.00 0.22 0.12 -0.56 -1.51 0.00 0.00 179.97 178.24 3fhq h GLN 250 N 0.35 0.61 -0.10 0.20 3.07 -1.97 0.03 115.11 117.30 3fhq h GLN 250 Ca 0.48 -0.10 -0.23 0.00 0.09 0.00 0.00 58.65 58.89 3fhq h GLN 250 Cb 0.85 -0.11 0.01 0.00 0.08 0.00 0.00 27.48 28.32 3fhq h GLN 250 CO -0.51 0.55 -0.85 0.77 0.09 0.00 0.00 178.83 178.87 3fhq h SER 251 N 0.60 0.86 0.03 0.06 0.02 -1.49 -1.25 113.55 112.38 3fhq h SER 251 Ca 0.14 -0.60 0.03 0.00 -0.84 0.00 0.00 61.79 60.51 3fhq h SER 251 Cb 0.21 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.45 3fhq h SER 251 CO -0.01 1.40 -0.23 -1.13 -1.14 0.00 0.00 176.83 175.72 3fhq h ASN 252 N 0.46 -0.67 -0.39 3.07 -0.73 -0.82 -0.09 115.58 116.41 3fhq h ASN 252 Ca -0.07 0.09 0.04 0.00 1.87 0.00 0.00 56.30 58.23 3fhq h ASN 252 Cb 1.49 0.27 -0.04 0.00 0.27 0.00 0.00 38.32 40.31 3fhq h ASN 252 CO 0.17 -0.30 0.16 -0.33 -0.37 0.00 0.00 177.43 176.76 3fhq h GLU 253 N -0.38 0.33 -0.64 6.67 5.08 -0.93 -1.46 114.58 123.25 3fhq h GLU 253 Ca 0.05 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3fhq h GLU 253 Cb 0.44 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3fhq h GLU 253 CO -0.19 0.22 0.25 1.25 -1.00 0.00 0.00 179.01 179.54 3fhq h LEU 254 N 0.34 0.86 -0.61 1.33 5.85 -1.11 -1.77 115.31 120.20 3fhq h LEU 254 Ca 0.17 -0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3fhq h LEU 254 Cb 0.12 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.90 3fhq h LEU 254 CO -0.15 0.78 0.16 0.00 -0.34 0.00 0.00 178.44 178.89 3fhq h ALA 255 N 1.35 0.80 -0.69 1.25 0.00 -0.50 -1.10 119.26 120.37 3fhq h ALA 255 Ca 0.22 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3fhq h ALA 255 Cb 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3fhq h ALA 255 CO -0.02 0.50 0.45 1.96 0.00 0.00 0.00 179.25 182.14 3fhq h GLN 256 N 0.88 0.91 0.00 0.00 4.20 -0.93 0.18 115.11 120.35 3fhq h GLN 256 Ca 0.19 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3fhq h GLN 256 Cb 0.33 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 3fhq h GLN 256 CO -0.00 0.61 -0.12 0.00 -0.67 0.00 0.00 178.83 178.65 3fhq h ALA 257 N 1.25 1.22 -0.00 3.87 0.00 -0.81 -0.53 119.26 124.26 3fhq h ALA 257 Ca 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3fhq h ALA 257 Cb -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3fhq h ALA 257 CO -0.05 0.14 -0.24 1.28 0.00 0.00 0.00 179.25 180.38 3fhq n LEU 258 N -3.55 0.46 -0.70 0.00 4.77 -0.46 -4.93 117.00 112.58 3fhq n LEU 258 Ca -0.02 0.07 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 3fhq n LEU 258 Cb 0.25 -0.26 -0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3fhq n LEU 258 CO 0.30 0.10 -0.08 0.61 -1.33 0.00 0.00 177.39 176.98 3fhq n GLY 259 N 1.41 0.17 3.42 -0.72 0.00 -0.21 -4.96 105.19 104.31 3fhq n GLY 259 Ca 0.09 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.21 3fhq n GLY 259 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fhq s ARG 260 N -4.17 1.52 0.19 1.61 1.81 -0.02 -5.02 118.95 114.87 3fhq s ARG 260 Ca 0.00 -1.47 -0.30 0.00 -1.72 0.00 0.00 55.73 52.23 3fhq s ARG 260 Cb 0.00 -1.88 -0.09 0.00 -0.45 0.00 0.00 34.95 32.53 3fhq s ARG 260 CO 0.00 0.41 1.38 0.45 -0.68 0.00 0.00 175.30 176.86 3fhq s SER 261 N -2.54 6.80 0.58 0.23 0.15 -1.26 -3.61 113.70 114.05 3fhq s SER 261 Ca 0.19 2.47 0.34 0.00 0.70 0.00 0.00 55.95 59.65 3fhq s SER 261 Cb -0.08 -2.61 1.86 0.00 -1.71 0.00 0.00 66.02 63.48 3fhq s SER 261 CO 0.09 -0.62 2.04 -0.65 1.20 0.00 0.00 173.24 175.30 3fhq h PRO 262 N 5.73 0.00 -0.48 5.44 0.11 -1.85 -1.90 132.00 139.05 3fhq h PRO 262 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3fhq h PRO 262 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3fhq h PRO 262 CO 0.81 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.26 3fhq n TYR 263 N -2.81 0.66 1.12 0.65 4.02 -1.26 -2.24 117.16 117.31 3fhq n TYR 263 Ca -0.02 -0.30 0.13 0.00 -0.01 0.00 0.00 57.90 57.69 3fhq n TYR 263 Cb 0.18 -0.06 0.30 0.00 -0.02 0.00 0.00 39.34 39.73 3fhq n TYR 263 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3fhq n ASP 264 N 0.63 2.37 -4.65 7.72 8.00 -0.71 -4.48 116.55 125.42 3fhq n ASP 264 Ca 0.14 -1.79 -0.35 0.00 0.71 0.00 0.00 54.79 53.50 3fhq n ASP 264 Cb 0.43 -0.04 -0.09 0.00 -0.02 0.00 0.00 41.12 41.39 3fhq n ASP 264 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3fhq s LEU 265 N -1.89 3.81 -0.37 0.64 1.43 -0.95 -1.18 118.68 120.17 3fhq s LEU 265 Ca 0.33 0.11 -0.01 0.00 -1.03 0.00 0.00 54.13 53.54 3fhq s LEU 265 Cb 0.20 -1.95 0.09 0.00 0.03 0.00 0.00 46.19 44.57 3fhq s LEU 265 CO 0.31 0.21 0.12 -0.31 0.23 0.00 0.00 176.35 176.91 3fhq s TYR 266 N 0.12 3.57 -0.03 0.29 2.02 0.57 -0.33 117.35 123.57 3fhq s TYR 266 Ca 0.05 -2.47 -0.30 0.00 -0.37 0.00 0.00 57.07 53.98 3fhq s TYR 266 Cb -0.12 -2.90 -0.07 0.00 -0.40 0.00 0.00 41.96 38.47 3fhq s TYR 266 CO 0.01 -0.93 1.81 0.00 -1.57 0.00 0.00 175.55 174.86 3fhq s ALA 267 N 1.10 3.55 0.30 3.71 0.00 0.11 -0.65 121.76 129.88 3fhq s ALA 267 Ca 0.06 1.07 -0.27 0.00 0.00 0.00 0.00 51.96 52.82 3fhq s ALA 267 Cb -0.21 -3.81 -0.10 0.00 0.00 0.00 0.00 23.12 19.01 3fhq s ALA 267 CO -0.05 -1.55 0.96 0.20 0.00 0.00 0.00 175.76 175.31 3fhq s GLY 268 N 4.05 2.90 -0.07 0.00 0.00 -0.30 -0.54 107.32 113.36 3fhq s GLY 268 Ca 0.81 0.58 0.01 0.00 0.00 0.00 0.00 44.72 46.11 3fhq s GLY 268 CO 0.35 1.07 -0.06 0.14 0.00 0.00 0.00 173.10 174.59 3fhq s VAL 269 N -1.47 0.77 -0.48 1.40 1.01 0.14 -4.37 120.40 117.41 3fhq s VAL 269 Ca 0.48 -0.20 -0.21 0.00 0.00 0.00 0.00 61.98 62.04 3fhq s VAL 269 Cb -0.22 -0.79 0.04 0.00 0.00 0.00 0.00 36.38 35.41 3fhq s VAL 269 CO 0.27 0.30 0.72 -0.62 0.00 0.00 0.00 175.10 175.77 3fhq s ASP 270 N 1.25 6.32 0.00 3.32 -1.08 -1.26 -0.92 116.67 124.29 3fhq s ASP 270 Ca -0.05 -0.43 0.07 0.00 -0.52 0.00 0.00 52.55 51.63 3fhq s ASP 270 Cb -0.14 -2.35 0.20 0.00 -1.46 0.00 0.00 42.92 39.18 3fhq s ASP 270 CO -0.02 -0.91 1.15 1.33 0.52 0.00 0.00 175.17 177.23 3fhq n VAL 271 N 5.92 0.92 -0.09 1.11 0.24 -0.76 -4.75 118.33 120.93 3fhq n VAL 271 Ca -0.01 -0.96 -0.06 0.00 -2.04 0.00 0.00 64.34 61.26 3fhq n VAL 271 Cb 0.47 0.55 0.01 0.00 -1.47 0.00 0.00 33.84 33.40 3fhq n VAL 271 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 3fhq h GLU 272 N 1.42 0.15 0.08 7.34 4.81 -1.73 -0.33 114.58 126.31 3fhq h GLU 272 Ca 0.00 -0.01 -0.28 0.00 -0.13 0.00 0.00 59.36 58.94 3fhq h GLU 272 Cb 0.64 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 3fhq h GLU 272 CO 0.00 0.10 -1.39 0.00 -0.73 0.00 0.00 179.01 176.99 3fhq h ALA 273 N 1.25 0.32 0.00 2.92 0.00 -1.91 -3.41 119.26 118.43 3fhq h ALA 273 Ca 0.15 -1.07 0.00 0.00 0.00 0.00 0.00 54.91 53.99 3fhq h ALA 273 Cb 0.18 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3fhq h ALA 273 CO -0.21 1.19 0.00 0.54 0.00 0.00 0.00 179.25 180.77 3fhq n ARG 274 N -3.39 4.98 0.00 0.00 1.74 -1.20 -5.07 116.66 113.72 3fhq n ARG 274 Ca -0.12 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 56.89 3fhq n ARG 274 Cb 1.02 -0.52 0.00 0.00 -1.02 0.00 0.00 32.46 31.94 3fhq n ARG 274 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fhq n GLY 275 N 0.73 2.65 0.00 -0.13 0.00 -0.14 -0.44 105.19 107.87 3fhq n GLY 275 Ca 0.00 0.32 0.06 0.00 0.00 0.00 0.00 46.02 46.40 3fhq n GLY 275 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3fhq n THR 276 N 0.00 1.06 0.05 2.61 -2.24 -1.26 -1.19 114.28 113.31 3fhq n THR 276 Ca 0.00 0.26 0.09 0.00 -2.27 0.00 0.00 64.05 62.14 3fhq n THR 276 Cb 0.00 -1.06 0.27 0.00 -2.10 0.00 0.00 70.33 67.44 3fhq n THR 276 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3fhq n SER 277 N -1.45 3.32 -4.67 3.42 7.64 0.42 -4.61 113.62 117.69 3fhq n SER 277 Ca 0.04 -2.07 -0.43 0.00 1.01 0.00 0.00 58.87 57.42 3fhq n SER 277 Cb 0.13 -0.42 -0.02 0.00 -1.01 0.00 0.00 64.21 62.89 3fhq n SER 277 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3fhq s THR 278 N -1.31 4.22 0.16 0.44 2.01 -0.33 -4.95 115.64 115.88 3fhq s THR 278 Ca 0.40 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.60 3fhq s THR 278 Cb 0.22 -3.97 -0.08 0.00 0.01 0.00 0.00 72.50 68.68 3fhq s THR 278 CO 0.26 -0.09 1.24 -2.84 -0.69 0.00 0.00 174.62 172.50 3fhq s PRO 279 N 3.07 4.45 -0.02 4.92 0.02 -1.26 -4.96 135.00 141.22 3fhq s PRO 279 Ca 0.56 1.91 -0.01 0.00 0.02 0.00 0.00 61.00 63.49 3fhq s PRO 279 Cb -0.23 -3.25 0.01 0.00 0.02 0.00 0.00 34.50 31.05 3fhq s PRO 279 CO 0.18 -0.17 0.03 0.08 -0.33 0.00 0.00 177.00 176.79 3fhq s VAL 280 N 0.23 -0.02 -1.40 3.83 1.01 -1.26 -5.03 120.40 117.76 3fhq s VAL 280 Ca 0.55 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.48 3fhq s VAL 280 Cb -0.33 -0.07 0.07 0.00 0.00 0.00 0.00 36.38 36.05 3fhq s VAL 280 CO 0.35 0.04 2.07 0.00 0.00 0.00 0.00 175.10 177.55 3fhq n GLN 281 N 3.52 3.05 -0.34 2.72 1.13 -1.26 -4.83 117.38 121.38 3fhq n GLN 281 Ca -0.18 -2.90 0.03 0.00 -1.94 0.00 0.00 57.00 52.00 3fhq n GLN 281 Cb 0.56 -3.26 0.17 0.00 0.11 0.00 0.00 30.24 27.83 3fhq n GLN 281 CO 0.00 0.00 0.00 -1.49 -1.44 0.00 0.00 177.06 174.13 3fhq h TRP 282 N 6.25 1.06 -0.59 1.08 4.06 -1.94 -0.15 115.95 125.72 3fhq h TRP 282 Ca 0.51 0.03 0.13 0.00 2.06 0.00 0.00 58.89 61.63 3fhq h TRP 282 Cb 0.68 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.47 3fhq h TRP 282 CO 1.41 0.51 0.41 0.93 -3.56 0.00 0.00 178.44 178.13 3fhq h GLU 283 N 1.01 0.20 0.00 0.49 3.07 -1.88 0.57 114.58 118.04 3fhq h GLU 283 Ca 0.42 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 3fhq h GLU 283 Cb 0.26 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.12 3fhq h GLU 283 CO -0.20 0.13 0.00 0.78 -1.40 0.00 0.00 179.01 178.32 3fhq h GLY 284 N 0.21 0.00 0.00 -3.84 0.00 -1.15 -2.98 103.07 95.31 3fhq h GLY 284 Ca 0.28 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.48 3fhq h GLY 284 CO -0.05 0.00 -1.51 -0.10 0.00 0.00 0.00 176.54 174.88 3fhq n LEU 285 N -2.87 2.60 -3.94 3.11 7.94 0.10 -1.31 117.00 122.62 3fhq n LEU 285 Ca -0.01 -0.04 -0.30 0.00 -1.11 0.00 0.00 56.01 54.55 3fhq n LEU 285 Cb 0.18 -0.25 -0.13 0.00 0.53 0.00 0.00 43.42 43.75 3fhq n LEU 285 CO 0.22 0.59 -0.11 -0.36 -1.11 0.00 0.00 177.39 176.62 3fhq s PHE 286 N -2.18 3.35 0.42 1.96 2.99 0.18 -1.44 117.98 123.25 3fhq s PHE 286 Ca -0.11 -3.22 -0.25 0.00 0.00 0.00 0.00 56.93 53.34 3fhq s PHE 286 Cb 0.03 -2.80 -0.08 0.00 0.00 0.00 0.00 43.02 40.17 3fhq s PHE 286 CO 0.22 -0.67 1.27 -1.25 -0.00 0.00 0.00 175.22 174.78 3fhq s PRO 287 N -0.74 3.92 0.55 0.24 0.04 -1.13 -4.13 135.00 133.75 3fhq s PRO 287 Ca 0.20 2.06 0.24 0.00 0.04 0.00 0.00 61.00 63.55 3fhq s PRO 287 Cb -0.18 -2.68 1.48 0.00 0.04 0.00 0.00 34.50 33.16 3fhq s PRO 287 CO -0.06 -0.50 2.09 0.93 0.04 0.00 0.00 177.00 179.49 3fhq h GLU 288 N 2.55 0.00 0.00 4.56 5.08 -1.92 -3.39 114.58 121.46 3fhq h GLU 288 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3fhq h GLU 288 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 3fhq h GLU 288 CO 0.62 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 179.04 3fhq n GLY 289 N -1.51 5.26 0.12 -3.84 0.00 -1.26 -5.08 105.19 98.88 3fhq n GLY 289 Ca 0.03 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.57 3fhq n GLY 289 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3fhq n GLU 290 N 0.00 0.00 -0.79 1.61 -0.58 -1.26 -4.81 120.64 114.81 3fhq n GLU 290 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 3fhq n GLU 290 Cb 0.00 -0.12 0.05 0.00 -0.57 0.00 0.00 31.44 30.80 3fhq n GLU 290 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3fhq n LYS 291 N -0.76 -0.08 -2.26 3.49 5.02 -1.26 -4.73 118.16 117.58 3fhq n LYS 291 Ca 0.00 -0.67 -0.41 0.00 -2.02 0.00 0.00 58.31 55.22 3fhq n LYS 291 Cb 0.42 -0.32 -0.03 0.00 -0.02 0.00 0.00 35.03 35.08 3fhq n LYS 291 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fhq s ALA 292 N -3.57 3.47 0.16 7.82 0.00 -1.26 -3.94 121.76 124.43 3fhq s ALA 292 Ca 0.21 1.10 -0.09 0.00 0.00 0.00 0.00 51.96 53.18 3fhq s ALA 292 Cb -0.01 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 3fhq s ALA 292 CO 0.14 -0.46 1.51 0.45 0.00 0.00 0.00 175.76 177.40 3fhq h HIS 293 N 4.01 1.07 -2.61 0.00 -0.00 -1.58 -3.48 115.15 112.56 3fhq h HIS 293 Ca -0.47 -0.31 -0.09 0.00 -0.00 0.00 0.00 60.37 59.50 3fhq h HIS 293 Cb 1.22 -0.23 -0.02 0.00 -0.00 0.00 0.00 27.41 28.38 3fhq h HIS 293 CO 0.58 1.12 -0.05 0.25 -0.00 0.00 0.00 177.93 179.83 3fhq n THR 294 N -4.06 0.00 -2.25 2.45 -2.24 -1.26 -4.41 114.28 102.50 3fhq n THR 294 Ca -0.02 -0.54 -0.27 0.00 -2.27 0.00 0.00 64.05 60.96 3fhq n THR 294 Cb 0.53 0.33 0.15 0.00 -2.10 0.00 0.00 70.33 69.23 3fhq n THR 294 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3fhq s SER 295 N -1.64 3.73 -0.06 3.42 0.01 0.56 -4.73 113.70 114.98 3fhq s SER 295 Ca 0.09 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.33 3fhq s SER 295 Cb -0.00 -0.18 -0.03 0.00 0.21 0.00 0.00 66.02 66.02 3fhq s SER 295 CO 0.06 -2.30 -0.09 -0.22 0.41 0.00 0.00 173.24 171.10 3fhq s LEU 296 N -5.52 3.06 -0.17 2.44 2.96 0.11 -0.71 118.68 120.84 3fhq s LEU 296 Ca 0.70 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 3fhq s LEU 296 Cb -0.05 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 45.03 3fhq s LEU 296 CO 0.49 0.36 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.96 3fhq s GLY 297 N -0.79 1.08 -0.39 7.98 0.00 0.30 -1.28 107.32 114.22 3fhq s GLY 297 Ca 0.12 -0.95 -0.14 0.00 0.00 0.00 0.00 44.72 43.76 3fhq s GLY 297 CO 0.01 0.78 0.26 1.08 0.00 0.00 0.00 173.10 175.24 3fhq s LEU 298 N 1.54 4.88 -0.34 0.66 1.43 -0.24 0.28 118.68 126.88 3fhq s LEU 298 Ca 0.01 -0.81 -0.25 0.00 -1.03 0.00 0.00 54.13 52.05 3fhq s LEU 298 Cb -0.15 -2.12 0.01 0.00 0.03 0.00 0.00 46.19 43.96 3fhq s LEU 298 CO -0.08 -0.39 0.85 -0.47 0.23 0.00 0.00 176.35 176.49 3fhq s TYR 299 N 1.66 3.13 -0.61 0.29 5.04 -0.10 -1.26 117.35 125.51 3fhq s TYR 299 Ca 0.05 0.75 -0.02 0.00 -2.44 0.00 0.00 57.07 55.41 3fhq s TYR 299 Cb -0.19 -3.44 0.00 0.00 0.35 0.00 0.00 41.96 38.68 3fhq s TYR 299 CO 0.09 -0.71 0.52 0.54 -1.34 0.00 0.00 175.55 174.65 3fhq n ARG 300 N 6.50 -3.49 0.12 4.97 5.12 0.94 -1.83 116.66 129.00 3fhq n ARG 300 Ca 0.05 0.39 0.07 0.00 -1.93 0.00 0.00 57.85 56.43 3fhq n ARG 300 Cb 0.48 -4.09 0.35 0.00 -1.16 0.00 0.00 32.46 28.04 3fhq n ARG 300 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 3fhq n PRO 301 N -2.56 0.08 0.00 5.56 -0.02 -1.26 -0.81 135.00 136.00 3fhq n PRO 301 Ca -0.06 0.55 0.07 0.00 -2.02 0.00 0.00 63.50 62.04 3fhq n PRO 301 Cb 0.55 -1.93 0.44 0.00 -0.02 0.00 0.00 33.50 32.54 3fhq n PRO 301 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3fhq n ASP 302 N -1.96 0.00 -0.37 2.55 5.75 -1.26 -1.98 116.55 119.28 3fhq n ASP 302 Ca -0.01 -0.84 0.28 0.00 -0.01 0.00 0.00 54.79 54.22 3fhq n ASP 302 Cb 0.17 0.00 0.54 0.00 -1.03 0.00 0.00 41.12 40.81 3fhq n ASP 302 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3fhq h TRP 303 N 0.00 0.76 -0.47 2.11 7.01 -1.22 -0.07 115.95 124.06 3fhq h TRP 303 Ca 0.00 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 3fhq h TRP 303 Cb 0.00 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 26.84 3fhq h TRP 303 CO 0.00 -0.17 0.17 0.00 -2.79 0.00 0.00 178.44 175.65 3fhq h ALA 304 N 1.75 1.42 0.22 2.65 0.00 -1.68 -0.71 119.26 122.91 3fhq h ALA 304 Ca 0.75 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 55.20 3fhq h ALA 304 Cb 1.97 -0.19 0.03 0.00 0.00 0.00 0.00 17.79 19.59 3fhq h ALA 304 CO -0.51 0.44 -1.44 0.35 0.00 0.00 0.00 179.25 178.09 3fhq h PHE 305 N 0.67 0.85 0.00 0.00 3.57 -1.45 -3.33 116.94 117.25 3fhq h PHE 305 Ca 0.16 -0.62 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3fhq h PHE 305 Cb 0.17 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3fhq h PHE 305 CO 0.01 1.55 -0.51 1.96 -2.23 0.00 0.00 178.31 179.09 3fhq h GLN 306 N 0.04 0.00 -0.18 1.11 4.20 -0.80 -3.03 115.11 116.46 3fhq h GLN 306 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 3fhq h GLN 306 Cb 2.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.85 3fhq h GLN 306 CO 0.23 0.00 0.00 -1.13 -0.67 0.00 0.00 178.83 177.26 3fhq n SER 307 N -2.53 2.80 -4.66 1.46 3.41 -0.30 -4.95 113.62 108.86 3fhq n SER 307 Ca 0.03 -1.90 -0.23 0.00 -0.26 0.00 0.00 58.87 56.51 3fhq n SER 307 Cb 0.49 -0.11 -0.07 0.00 -0.26 0.00 0.00 64.21 64.26 3fhq n SER 307 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3fhq s SER 308 N -1.75 4.60 -0.02 4.04 0.01 -1.14 -5.03 113.70 114.40 3fhq s SER 308 Ca 0.34 -0.63 0.12 0.00 1.31 0.00 0.00 55.95 57.08 3fhq s SER 308 Cb 0.21 -0.87 -0.18 0.00 0.21 0.00 0.00 66.02 65.39 3fhq s SER 308 CO 0.31 -0.01 0.25 -0.62 0.41 0.00 0.00 173.24 173.57 3fhq n GLU 309 N -0.92 0.44 -4.22 12.44 -0.58 -1.26 -4.96 120.64 121.57 3fhq n GLU 309 Ca -0.06 -0.10 -0.17 0.00 -0.42 0.00 0.00 57.16 56.41 3fhq n GLU 309 Cb 0.59 -1.28 -0.13 0.00 -0.57 0.00 0.00 31.44 30.05 3fhq n GLU 309 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3fhq s THR 310 N -2.79 0.72 0.32 2.62 -4.23 -1.26 -5.03 115.64 106.00 3fhq s THR 310 Ca -0.04 -0.75 0.09 0.00 -1.18 0.00 0.00 61.69 59.80 3fhq s THR 310 Cb 0.07 -0.68 0.33 0.00 1.34 0.00 0.00 72.50 73.57 3fhq s THR 310 CO 0.48 -0.05 1.64 -0.03 -0.54 0.00 0.00 174.62 176.12 3fhq h MET 311 N 5.20 0.20 -0.42 3.99 4.05 -1.95 0.86 114.93 126.86 3fhq h MET 311 Ca -0.34 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 58.95 3fhq h MET 311 Cb 1.19 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 3fhq h MET 311 CO 0.45 0.14 -0.19 0.93 0.23 0.00 0.00 176.91 178.46 3fhq h GLU 312 N 0.21 0.87 -0.38 0.39 5.08 -1.98 0.92 114.58 119.69 3fhq h GLU 312 Ca 0.66 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 58.54 3fhq h GLU 312 Cb 1.47 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.68 3fhq h GLU 312 CO -0.68 1.02 -0.18 0.00 -1.00 0.00 0.00 179.01 178.17 3fhq h ALA 313 N 0.83 0.54 -0.22 3.43 0.00 -1.60 -1.01 119.26 121.22 3fhq h ALA 313 Ca 0.09 -0.36 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3fhq h ALA 313 Cb 0.76 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3fhq h ALA 313 CO 0.06 0.48 -0.04 0.35 0.00 0.00 0.00 179.25 180.10 3fhq h PHE 314 N 0.60 -0.09 -0.12 0.00 3.57 -0.69 -1.18 116.94 119.02 3fhq h PHE 314 Ca 0.09 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 3fhq h PHE 314 Cb 0.73 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 3fhq h PHE 314 CO 0.06 -0.08 -0.25 1.88 -2.23 0.00 0.00 178.31 177.69 3fhq h TYR 315 N 0.02 0.24 -0.17 0.41 -1.99 -0.60 -1.97 116.97 112.92 3fhq h TYR 315 Ca 0.11 -0.04 -0.10 0.00 2.00 0.00 0.00 58.73 60.69 3fhq h TYR 315 Cb 0.16 -0.06 0.00 0.00 2.00 0.00 0.00 36.73 38.82 3fhq h TYR 315 CO -0.22 0.46 -0.29 1.49 -0.00 0.00 0.00 178.16 179.60 3fhq h GLU 316 N 0.20 0.49 -0.12 4.88 4.81 -0.90 -2.55 114.58 121.39 3fhq h GLU 316 Ca 0.03 -0.30 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 3fhq h GLU 316 Cb 0.56 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3fhq h GLU 316 CO 0.04 0.91 -0.04 0.87 -0.73 0.00 0.00 179.01 180.06 3fhq h LYS 317 N 0.12 0.17 -0.30 1.92 1.57 -1.08 -0.56 116.57 118.41 3fhq h LYS 317 Ca 0.01 -0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 3fhq h LYS 317 Cb 0.87 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.15 3fhq h LYS 317 CO 0.07 0.23 -0.52 0.93 -0.57 0.00 0.00 179.45 179.59 3fhq h GLU 318 N 0.17 0.88 0.16 3.15 5.08 -1.29 -1.08 114.58 121.65 3fhq h GLU 318 Ca 0.04 -0.54 -0.01 0.00 -1.00 0.00 0.00 59.36 57.86 3fhq h GLU 318 Cb 0.19 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3fhq h GLU 318 CO 0.01 1.17 -0.08 1.25 -1.00 0.00 0.00 179.01 180.36 3fhq h LEU 319 N 0.68 -0.18 -2.04 1.33 6.46 -1.01 0.12 115.31 120.67 3fhq h LEU 319 Ca 0.02 -0.01 0.03 0.00 -0.12 0.00 0.00 57.88 57.80 3fhq h LEU 319 Cb 1.12 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 41.09 3fhq h LEU 319 CO 0.12 -0.12 0.07 1.56 -0.62 0.00 0.00 178.44 179.45 3fhq h GLN 320 N -0.24 0.00 0.03 1.25 4.20 -1.08 0.31 115.11 119.57 3fhq h GLN 320 Ca -0.02 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 3fhq h GLN 320 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3fhq h GLN 320 CO 0.04 0.00 -0.64 0.35 -0.67 0.00 0.00 178.83 177.91 3fhq h PHE 321 N 0.00 0.11 0.00 2.96 3.04 -0.88 -2.74 116.94 119.43 3fhq h PHE 321 Ca 0.04 -0.08 -0.15 0.00 3.98 0.00 0.00 57.97 61.76 3fhq h PHE 321 Cb 0.18 -0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.66 3fhq h PHE 321 CO 0.00 1.25 -1.09 -1.49 -2.02 0.00 0.00 178.31 174.96 3fhq h TRP 322 N -0.85 0.00 0.00 0.41 4.06 -0.63 -3.25 115.95 115.69 3fhq h TRP 322 Ca -0.16 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.63 3fhq h TRP 322 Cb 1.25 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.38 3fhq h TRP 322 CO 0.20 0.59 -1.62 0.28 -3.56 0.00 0.00 178.44 174.32 3fhq n VAL 323 N -3.04 0.63 0.00 1.49 0.31 0.10 -1.69 118.33 116.13 3fhq n VAL 323 Ca -0.05 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 3fhq n VAL 323 Cb 0.82 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 3fhq n VAL 323 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3fhq n GLY 324 N 2.61 0.84 0.26 2.92 0.00 -0.89 -4.59 105.19 106.33 3fhq n GLY 324 Ca -0.16 -2.25 0.17 0.00 0.00 0.00 0.00 46.02 43.77 3fhq n GLY 324 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3fhq h SER 325 N 0.00 0.00 0.29 1.61 0.02 -1.78 -2.99 113.55 110.70 3fhq h SER 325 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 3fhq h SER 325 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3fhq h SER 325 CO 0.00 0.00 -0.38 0.74 -1.14 0.00 0.00 176.83 176.05 3fhq h THR 326 N 0.00 1.29 -0.14 -2.27 2.02 -1.85 -3.46 112.91 108.49 3fhq h THR 326 Ca 0.00 -1.38 -0.06 0.00 0.77 0.00 0.00 66.41 65.74 3fhq h THR 326 Cb 0.48 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.53 3fhq h THR 326 CO 0.00 0.41 -0.05 0.61 0.37 0.00 0.00 175.52 176.85 3fhq n GLY 327 N -0.34 0.54 2.64 2.16 0.00 -1.13 -4.98 105.19 104.09 3fhq n GLY 327 Ca -0.02 -0.21 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 3fhq n GLY 327 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fhq s ASN 328 N -2.30 2.33 0.59 1.61 3.84 -1.26 -0.63 114.94 119.13 3fhq s ASN 328 Ca 0.00 -0.71 0.29 0.00 0.21 0.00 0.00 52.86 52.65 3fhq s ASN 328 Cb 0.00 -0.02 1.56 0.00 -0.55 0.00 0.00 41.25 42.24 3fhq s ASN 328 CO 0.00 -0.37 1.98 1.55 -2.79 0.00 0.00 177.10 177.47 3fhq h PRO 329 N 8.37 0.00 0.00 0.43 0.13 -1.80 -0.83 132.00 138.31 3fhq h PRO 329 Ca -0.17 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.83 3fhq h PRO 329 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3fhq h PRO 329 CO 0.33 0.00 -0.91 0.00 -0.23 0.00 0.00 178.00 177.19 3fhq h ALA 330 N 1.58 0.65 -2.58 -0.56 0.00 -1.92 -3.40 119.26 113.03 3fhq h ALA 330 Ca 0.15 -0.61 -0.65 0.00 0.00 0.00 0.00 54.91 53.80 3fhq h ALA 330 Cb 0.86 0.07 -0.39 0.00 0.00 0.00 0.00 17.79 18.33 3fhq h ALA 330 CO -0.00 0.73 -0.35 0.39 0.00 0.00 0.00 179.25 180.02 3fhq n GLU 331 N -3.06 2.53 -3.73 0.00 -0.58 -0.32 -4.65 120.64 110.84 3fhq n GLU 331 Ca -0.03 -4.57 -0.34 0.00 -0.42 0.00 0.00 57.16 51.80 3fhq n GLU 331 Cb 0.77 -2.33 -0.05 0.00 -0.57 0.00 0.00 31.44 29.27 3fhq n GLU 331 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 3fhq s THR 332 N -1.98 5.26 -0.72 2.62 -4.23 -1.25 -4.71 115.64 110.63 3fhq s THR 332 Ca 0.32 0.17 -0.16 0.00 -1.18 0.00 0.00 61.69 60.84 3fhq s THR 332 Cb 0.04 -3.59 0.16 0.00 1.34 0.00 0.00 72.50 70.45 3fhq s THR 332 CO -0.07 0.30 0.74 -0.62 -0.54 0.00 0.00 174.62 174.43 3fhq s ASP 333 N -1.84 6.48 0.00 3.99 2.15 -1.26 -4.90 116.67 121.30 3fhq s ASP 333 Ca 0.30 -2.12 0.14 0.00 0.43 0.00 0.00 52.55 51.30 3fhq s ASP 333 Cb -0.13 -2.25 0.76 0.00 -0.30 0.00 0.00 42.92 41.00 3fhq s ASP 333 CO 0.18 -0.82 1.28 0.61 -0.17 0.00 0.00 175.17 176.25 3fhq n GLY 334 N 4.76 -0.54 0.01 2.66 0.00 -1.26 -1.48 105.19 109.35 3fhq n GLY 334 Ca 0.03 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.08 3fhq n GLY 334 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fhq n GLN 335 N -1.11 0.45 -1.65 1.61 6.02 -1.26 -4.92 117.38 116.51 3fhq n GLN 335 Ca 0.09 -0.12 -0.37 0.00 -0.01 0.00 0.00 57.00 56.59 3fhq n GLN 335 Cb 0.07 -1.53 0.07 0.00 1.02 0.00 0.00 30.24 29.87 3fhq n GLN 335 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3fhq n SER 336 N -2.04 1.52 -0.13 1.08 2.88 -0.55 -4.90 113.62 111.48 3fhq n SER 336 Ca -0.01 0.80 0.08 0.00 -1.33 0.00 0.00 58.87 58.41 3fhq n SER 336 Cb 0.49 -1.49 0.42 0.00 -0.75 0.00 0.00 64.21 62.88 3fhq n SER 336 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3fhq h ASN 337 N 0.41 0.53 -3.45 -3.46 2.35 -1.93 -3.32 115.58 106.71 3fhq h ASN 337 Ca -0.50 0.00 -0.61 0.00 -0.55 0.00 0.00 56.30 54.64 3fhq h ASN 337 Cb 1.35 -0.11 -0.40 0.00 0.05 0.00 0.00 38.32 39.21 3fhq h ASN 337 CO 0.52 0.34 -0.73 0.86 -1.65 0.00 0.00 177.43 176.77 3fhq s TRP 338 N -5.55 2.18 0.40 1.19 -0.11 -1.26 -4.79 118.94 110.99 3fhq s TRP 338 Ca -0.09 -2.57 0.32 0.00 1.22 0.00 0.00 56.10 54.98 3fhq s TRP 338 Cb 0.19 -1.98 1.62 0.00 -1.50 0.00 0.00 33.47 31.80 3fhq s TRP 338 CO 0.76 -0.76 2.11 -1.35 -4.62 0.00 0.00 176.95 173.09 3fhq h PRO 339 N 6.50 0.00 0.00 5.86 0.11 -1.76 -3.40 132.00 139.31 3fhq h PRO 339 Ca 0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3fhq h PRO 339 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 3fhq h PRO 339 CO 0.52 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.79 3fhq n GLY 340 N -0.61 0.17 0.19 -0.55 0.00 -1.26 -4.33 105.19 98.80 3fhq n GLY 340 Ca -0.02 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.35 3fhq n GLY 340 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3fhq h MET 341 N 0.00 0.00 0.00 1.61 2.86 -1.36 -2.00 114.93 116.05 3fhq h MET 341 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 3fhq h MET 341 Cb 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.66 3fhq h MET 341 CO 0.00 0.36 -0.03 0.00 1.06 0.00 0.00 176.91 178.30 3fhq h ALA 342 N 1.64 1.24 -0.00 6.32 0.00 -1.55 0.15 119.26 127.07 3fhq h ALA 342 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3fhq h ALA 342 Cb 0.67 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3fhq h ALA 342 CO 0.05 0.03 -0.25 1.25 0.00 0.00 0.00 179.25 180.33 3fhq h HIS 343 N 0.00 0.00 0.00 0.00 6.17 -1.55 -3.31 115.15 116.46 3fhq h HIS 343 Ca -0.00 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.07 3fhq h HIS 343 Cb 0.11 -0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.04 3fhq h HIS 343 CO 0.00 0.25 -1.21 0.91 0.71 0.00 0.00 177.93 178.59 3fhq n TRP 344 N -4.25 0.00 -4.87 5.26 8.01 -0.32 -3.27 117.44 118.00 3fhq n TRP 344 Ca -0.02 0.00 -0.30 0.00 -1.31 0.00 0.00 57.50 55.86 3fhq n TRP 344 Cb 0.30 -0.12 -0.17 0.00 -2.01 0.00 0.00 31.31 29.32 3fhq n TRP 344 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.69 176.62 3fhq s PHE 345 N -2.26 2.33 0.49 -5.99 0.08 0.37 -2.29 117.98 110.71 3fhq s PHE 345 Ca -0.02 -1.03 -0.24 0.00 0.12 0.00 0.00 56.93 55.77 3fhq s PHE 345 Cb 0.02 -1.60 -0.07 0.00 -0.57 0.00 0.00 43.02 40.81 3fhq s PHE 345 CO 0.17 -0.46 1.36 -2.30 -0.10 0.00 0.00 175.22 173.90 3fhq n PRO 346 N 3.81 1.93 -2.68 0.24 -0.02 -1.26 -4.43 135.00 132.59 3fhq n PRO 346 Ca -0.20 0.70 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 3fhq n PRO 346 Cb 0.52 -2.55 -0.05 0.00 -0.02 0.00 0.00 33.50 31.40 3fhq n PRO 346 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fhq s ALA 347 N -1.24 3.33 0.18 3.55 0.00 -1.26 -4.72 121.76 121.59 3fhq s ALA 347 Ca 0.66 0.67 0.06 0.00 0.00 0.00 0.00 51.96 53.35 3fhq s ALA 347 Cb -0.44 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 3fhq s ALA 347 CO 0.54 0.05 0.11 0.15 0.00 0.00 0.00 175.76 176.61 3fhq s LYS 348 N -0.80 2.79 0.02 0.00 -0.14 -0.17 -0.35 119.74 121.08 3fhq s LYS 348 Ca 0.44 -0.94 0.02 0.00 -1.36 0.00 0.00 55.97 54.13 3fhq s LYS 348 Cb -0.27 -2.57 -0.01 0.00 -1.68 0.00 0.00 37.83 33.30 3fhq s LYS 348 CO 0.33 0.47 -0.07 0.45 -0.76 0.00 0.00 175.35 175.76 3fhq s SER 349 N -3.15 0.86 -0.06 2.83 0.15 0.59 -4.52 113.70 110.40 3fhq s SER 349 Ca 0.30 -0.30 0.14 0.00 0.70 0.00 0.00 55.95 56.80 3fhq s SER 349 Cb -0.10 -0.04 0.47 0.00 -1.71 0.00 0.00 66.02 64.64 3fhq s SER 349 CO 0.22 -0.03 1.39 1.07 1.20 0.00 0.00 173.24 177.10 3fhq n THR 350 N 2.31 1.46 -1.18 6.45 5.66 -1.26 -0.43 114.28 127.30 3fhq n THR 350 Ca -0.17 -1.25 -0.35 0.00 -3.05 0.00 0.00 64.05 59.24 3fhq n THR 350 Cb 0.56 0.25 -0.02 0.00 -1.55 0.00 0.00 70.33 69.57 3fhq n THR 350 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3fhq n ALA 351 N 0.48 5.70 -0.34 1.79 0.00 -1.26 -4.46 120.51 122.43 3fhq n ALA 351 Ca 0.18 -3.07 0.01 0.00 0.00 0.00 0.00 53.44 50.56 3fhq n ALA 351 Cb 0.64 -3.32 0.01 0.00 0.00 0.00 0.00 19.45 16.78 3fhq n ALA 351 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3fhq n THR 352 N 4.39 0.86 -3.72 0.00 -2.24 -1.26 -1.25 114.28 111.06 3fhq n THR 352 Ca 0.59 -0.90 -0.13 0.00 -2.27 0.00 0.00 64.05 61.34 3fhq n THR 352 Cb 0.25 0.53 -0.09 0.00 -2.10 0.00 0.00 70.33 68.91 3fhq n THR 352 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3fhq s SER 353 N -0.98 -0.41 -0.11 3.42 0.15 -1.25 -4.71 113.70 109.81 3fhq s SER 353 Ca 0.03 0.73 -0.11 0.00 0.70 0.00 0.00 55.95 57.30 3fhq s SER 353 Cb 0.03 0.77 -0.05 0.00 -1.71 0.00 0.00 66.02 65.06 3fhq s SER 353 CO 0.00 -0.21 0.24 -0.69 1.20 0.00 0.00 173.24 173.77 3fhq s VAL 354 N -0.08 5.34 0.33 4.45 1.01 -1.26 -3.09 120.40 127.10 3fhq s VAL 354 Ca -0.03 0.43 -0.27 0.00 0.00 0.00 0.00 61.98 62.12 3fhq s VAL 354 Cb -0.03 -3.53 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 3fhq s VAL 354 CO 0.02 0.54 1.04 -2.16 0.00 0.00 0.00 175.10 174.53 3fhq s PRO 355 N -0.54 4.46 -0.23 2.72 0.05 -1.26 -5.10 135.00 135.09 3fhq s PRO 355 Ca 0.17 1.58 -0.08 0.00 0.05 0.00 0.00 61.00 62.72 3fhq s PRO 355 Cb -0.13 -2.88 -0.03 0.00 0.05 0.00 0.00 34.50 31.50 3fhq s PRO 355 CO 0.05 0.11 0.08 0.12 0.05 0.00 0.00 177.00 177.42 3fhq s PHE 356 N -1.43 3.14 -0.03 0.56 5.36 0.08 -4.99 117.98 120.67 3fhq s PHE 356 Ca 0.50 -0.21 0.01 0.00 -0.96 0.00 0.00 56.93 56.28 3fhq s PHE 356 Cb -0.25 -2.21 0.01 0.00 -0.34 0.00 0.00 43.02 40.23 3fhq s PHE 356 CO 0.32 -0.18 -0.05 0.08 -1.46 0.00 0.00 175.22 173.93 3fhq s VAL 357 N 1.26 0.52 -0.01 3.12 1.01 -1.26 -0.89 120.40 124.14 3fhq s VAL 357 Ca 0.05 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 3fhq s VAL 357 Cb -0.14 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 3fhq s VAL 357 CO 0.04 0.19 0.08 0.28 0.00 0.00 0.00 175.10 175.69 3fhq s THR 358 N 0.50 0.06 -0.03 3.92 -1.32 -0.42 -4.77 115.64 113.57 3fhq s THR 358 Ca -0.06 -0.47 0.04 0.00 -1.21 0.00 0.00 61.69 59.98 3fhq s THR 358 Cb -0.10 -0.27 0.06 0.00 -1.51 0.00 0.00 72.50 70.68 3fhq s THR 358 CO 0.00 -0.26 1.03 1.41 -2.21 0.00 0.00 174.62 174.59 3fhq n HIS 359 N 2.11 0.00 -3.81 9.09 8.25 -1.26 -1.18 115.22 128.42 3fhq n HIS 359 Ca -0.19 -0.61 -0.29 0.00 -0.26 0.00 0.00 57.72 56.37 3fhq n HIS 359 Cb 0.57 -0.07 0.04 0.00 1.12 0.00 0.00 29.99 31.64 3fhq n HIS 359 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3fhq n PHE 360 N -0.71 -2.40 -2.48 4.41 3.72 -1.26 -4.56 117.46 114.18 3fhq n PHE 360 Ca 0.04 0.90 -0.43 0.00 -0.05 0.00 0.00 57.45 57.91 3fhq n PHE 360 Cb 0.34 -4.16 -0.02 0.00 -0.94 0.00 0.00 39.48 34.69 3fhq n PHE 360 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3fhq s ASN 361 N -3.26 6.90 0.01 4.37 3.84 -1.26 -4.14 114.94 121.40 3fhq s ASN 361 Ca 0.64 1.47 0.27 0.00 0.21 0.00 0.00 52.86 55.45 3fhq s ASN 361 Cb -0.31 -2.54 0.92 0.00 -0.55 0.00 0.00 41.25 38.77 3fhq s ASN 361 CO 0.79 -0.83 1.71 0.35 -2.79 0.00 0.00 177.10 176.32 3fhq n THR 362 N 5.61 0.04 0.00 -5.21 -2.24 -1.26 -1.09 114.28 110.12 3fhq n THR 362 Ca 0.14 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3fhq n THR 362 Cb 0.46 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 3fhq n THR 362 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fhq n GLY 363 N 1.49 2.12 3.42 3.38 0.00 -1.26 -4.80 105.19 109.53 3fhq n GLY 363 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3fhq n GLY 363 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fhq s SER 364 N -1.72 0.02 0.13 1.61 1.04 -1.26 0.02 113.70 113.53 3fhq s SER 364 Ca 0.00 -1.14 -0.25 0.00 0.48 0.00 0.00 55.95 55.05 3fhq s SER 364 Cb 0.00 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.68 3fhq s SER 364 CO 0.00 -1.01 0.78 -0.83 0.98 0.00 0.00 173.24 173.16 3fhq s GLY 365 N -3.08 -0.41 0.00 7.32 0.00 -0.04 -4.61 107.32 106.50 3fhq s GLY 365 Ca 0.30 0.45 0.26 0.00 0.00 0.00 0.00 44.72 45.73 3fhq s GLY 365 CO 0.10 0.14 1.64 0.00 0.00 0.00 0.00 173.10 174.99 3fhq n ALA 366 N -0.37 2.54 -3.59 3.20 0.00 -1.26 -1.37 120.51 119.66 3fhq n ALA 366 Ca -0.10 -0.51 -0.06 0.00 0.00 0.00 0.00 53.44 52.77 3fhq n ALA 366 Cb 0.62 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.94 3fhq n ALA 366 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3fhq s GLN 367 N -1.93 0.40 -0.09 0.00 -0.44 -1.23 -3.73 119.66 112.63 3fhq s GLN 367 Ca 0.36 -0.05 0.02 0.00 -2.50 0.00 0.00 55.36 53.18 3fhq s GLN 367 Cb 0.20 0.19 0.02 0.00 -1.64 0.00 0.00 33.01 31.77 3fhq s GLN 367 CO 0.31 -0.15 -0.12 0.12 0.50 0.00 0.00 175.29 175.95 3fhq s PHE 368 N -1.91 1.65 0.07 1.67 2.19 -0.48 -4.13 117.98 117.04 3fhq s PHE 368 Ca 0.06 -0.72 0.05 0.00 0.33 0.00 0.00 56.93 56.65 3fhq s PHE 368 Cb -0.01 -1.23 -0.04 0.00 -1.31 0.00 0.00 43.02 40.43 3fhq s PHE 368 CO -0.04 -0.40 -0.03 -1.12 1.83 0.00 0.00 175.22 175.46 3fhq s SER 369 N 0.99 4.84 -0.07 6.13 0.01 0.22 -0.21 113.70 125.61 3fhq s SER 369 Ca -0.08 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.01 3fhq s SER 369 Cb -0.15 -1.12 0.01 0.00 0.21 0.00 0.00 66.02 64.98 3fhq s SER 369 CO -0.01 0.20 -0.12 0.00 0.41 0.00 0.00 173.24 173.73 3fhq s ALA 370 N -1.22 1.29 -1.46 1.44 0.00 0.17 -1.06 121.76 120.92 3fhq s ALA 370 Ca 0.23 -0.44 -0.17 0.00 0.00 0.00 0.00 51.96 51.58 3fhq s ALA 370 Cb -0.11 -0.59 0.16 0.00 0.00 0.00 0.00 23.12 22.57 3fhq s ALA 370 CO 0.15 0.09 0.53 0.39 0.00 0.00 0.00 175.76 176.92 3fhq n GLU 371 N 3.86 -2.02 -0.63 0.00 1.02 -0.71 -0.83 120.64 121.34 3fhq n GLU 371 Ca -0.22 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3fhq n GLU 371 Cb 0.52 -4.84 0.00 0.00 -0.02 0.00 0.00 31.44 27.09 3fhq n GLU 371 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fhq n GLY 372 N -1.06 1.04 3.54 0.62 0.00 -0.45 -4.49 105.19 104.39 3fhq n GLY 372 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 3fhq n GLY 372 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fhq s LYS 373 N -0.27 3.50 0.17 1.61 1.02 -0.01 -4.92 119.74 120.84 3fhq s LYS 373 Ca 0.00 -0.50 -0.32 0.00 0.02 0.00 0.00 55.97 55.18 3fhq s LYS 373 Cb 0.00 -2.88 -0.11 0.00 -0.52 0.00 0.00 37.83 34.32 3fhq s LYS 373 CO 0.00 0.35 1.77 0.99 -0.92 0.00 0.00 175.35 177.54 3fhq s THR 374 N 0.07 2.27 0.00 2.17 2.01 -1.26 -0.66 115.64 120.24 3fhq s THR 374 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.05 3fhq s THR 374 Cb -0.13 -3.03 0.00 0.00 0.01 0.00 0.00 72.50 69.35 3fhq s THR 374 CO 0.03 0.00 0.51 1.33 -0.69 0.00 0.00 174.62 175.79 3fhq n VAL 375 N 4.32 0.04 -3.65 3.82 0.24 0.71 -4.89 118.33 118.91 3fhq n VAL 375 Ca 0.17 -0.51 -0.13 0.00 -2.04 0.00 0.00 64.34 61.83 3fhq n VAL 375 Cb 0.37 1.00 -0.08 0.00 -1.47 0.00 0.00 33.84 33.66 3fhq n VAL 375 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3fhq s SER 376 N -0.04 -0.71 0.00 -1.34 0.15 -1.12 -0.11 113.70 110.54 3fhq s SER 376 Ca 0.00 1.34 0.23 0.00 0.70 0.00 0.00 55.95 58.22 3fhq s SER 376 Cb 0.00 1.35 0.58 0.00 -1.71 0.00 0.00 66.02 66.23 3fhq s SER 376 CO 0.00 -0.23 1.47 -0.62 1.20 0.00 0.00 173.24 175.06 3fhq n GLU 377 N 2.89 2.11 -3.12 5.44 -0.58 -1.26 -1.38 120.64 124.73 3fhq n GLU 377 Ca -0.15 -1.66 -0.38 0.00 -0.42 0.00 0.00 57.16 54.56 3fhq n GLU 377 Cb 0.56 -1.46 -0.06 0.00 -0.57 0.00 0.00 31.44 29.91 3fhq n GLU 377 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3fhq s GLN 378 N -1.71 4.32 0.50 3.49 -1.52 -1.26 -4.55 119.66 118.93 3fhq s GLN 378 Ca 0.35 0.90 -0.22 0.00 -1.95 0.00 0.00 55.36 54.45 3fhq s GLN 378 Cb 0.20 -3.09 -0.08 0.00 -0.22 0.00 0.00 33.01 29.82 3fhq s GLN 378 CO 0.29 0.51 0.97 0.39 -0.25 0.00 0.00 175.29 177.21 3fhq n GLU 379 N 1.24 1.15 -3.69 2.91 1.02 -1.24 -3.53 120.64 118.49 3fhq n GLU 379 Ca -0.05 0.43 -0.13 0.00 -0.02 0.00 0.00 57.16 57.38 3fhq n GLU 379 Cb 0.50 -2.09 -0.07 0.00 -0.02 0.00 0.00 31.44 29.76 3fhq n GLU 379 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 3fhq s TRP 380 N -1.40 -0.24 0.01 -0.32 1.48 -0.47 -3.94 118.94 114.05 3fhq s TRP 380 Ca 0.68 0.26 0.03 0.00 -1.06 0.00 0.00 56.10 56.00 3fhq s TRP 380 Cb -0.49 0.18 -0.01 0.00 -1.16 0.00 0.00 33.47 31.99 3fhq s TRP 380 CO 0.53 -0.52 -0.08 0.54 -4.06 0.00 0.00 176.95 173.36 3fhq s ASN 381 N -1.79 0.94 -0.39 -2.66 2.20 0.54 -0.86 114.94 112.92 3fhq s ASN 381 Ca -0.08 -0.25 0.07 0.00 -0.94 0.00 0.00 52.86 51.67 3fhq s ASN 381 Cb -0.02 -0.07 0.18 0.00 -2.00 0.00 0.00 41.25 39.35 3fhq s ASN 381 CO 0.00 0.03 0.63 0.21 -2.94 0.00 0.00 177.10 175.03 3fhq s ASN 382 N -0.55 -1.54 0.00 3.54 3.84 0.10 -1.97 114.94 118.36 3fhq s ASN 382 Ca 0.00 -0.59 0.13 0.00 0.21 0.00 0.00 52.86 52.62 3fhq s ASN 382 Cb -0.05 1.96 0.73 0.00 -0.55 0.00 0.00 41.25 43.35 3fhq s ASN 382 CO 0.00 -0.19 1.29 0.54 -2.79 0.00 0.00 177.10 175.95 3fhq n ARG 383 N 4.60 0.30 0.21 0.43 1.74 -1.25 -0.87 116.66 121.83 3fhq n ARG 383 Ca 0.10 0.09 0.15 0.00 -0.77 0.00 0.00 57.85 57.42 3fhq n ARG 383 Cb 0.57 -1.50 0.64 0.00 -1.02 0.00 0.00 32.46 31.14 3fhq n ARG 383 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 3fhq h SER 384 N 0.00 0.00 -0.06 0.55 0.02 -1.88 -2.70 113.55 109.49 3fhq h SER 384 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fhq h SER 384 Cb 0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.61 3fhq h SER 384 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 3fhq n LEU 385 N -2.67 3.00 -4.70 5.07 4.77 -0.05 -4.86 117.00 117.57 3fhq n LEU 385 Ca 0.01 -1.04 -0.42 0.00 -0.03 0.00 0.00 56.01 54.53 3fhq n LEU 385 Cb 0.24 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3fhq n LEU 385 CO 0.22 0.52 1.21 -1.58 -1.33 0.00 0.00 177.39 176.43 3fhq s GLN 386 N -1.92 4.24 0.76 3.23 0.74 -1.02 -4.65 119.66 121.05 3fhq s GLN 386 Ca 0.28 2.19 -0.12 0.00 0.05 0.00 0.00 55.36 57.77 3fhq s GLN 386 Cb 0.20 -3.47 0.05 0.00 1.10 0.00 0.00 33.01 30.89 3fhq s GLN 386 CO 0.30 -0.62 1.12 -0.51 -0.55 0.00 0.00 175.29 175.02 3fhq s ASP 387 N 1.86 4.93 -0.17 6.67 1.01 -0.25 -4.91 116.67 125.81 3fhq s ASP 387 Ca 0.69 1.08 -0.29 0.00 0.71 0.00 0.00 52.55 54.74 3fhq s ASP 387 Cb -0.38 -1.78 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 3fhq s ASP 387 CO 0.30 -1.67 1.70 -0.69 0.21 0.00 0.00 175.17 175.03 3fhq s VAL 388 N -3.36 3.56 0.40 -1.27 1.01 -1.26 -4.88 120.40 114.60 3fhq s VAL 388 Ca 0.60 0.65 0.04 0.00 0.00 0.00 0.00 61.98 63.26 3fhq s VAL 388 Cb -0.12 -3.55 -0.00 0.00 0.00 0.00 0.00 36.38 32.71 3fhq s VAL 388 CO 0.52 -0.20 0.58 -0.76 0.00 0.00 0.00 175.10 175.23 3fhq s LEU 389 N 5.22 3.77 -0.10 3.92 1.43 -1.26 -4.84 118.68 126.82 3fhq s LEU 389 Ca 0.76 -0.01 -0.38 0.00 -1.03 0.00 0.00 54.13 53.46 3fhq s LEU 389 Cb -0.28 -2.91 -0.15 0.00 0.03 0.00 0.00 46.19 42.88 3fhq s LEU 389 CO 0.31 -0.61 1.63 -2.65 0.23 0.00 0.00 176.35 175.25 3fhq n PRO 390 N -1.88 1.40 -0.34 1.29 -0.02 -1.26 -4.85 135.00 129.35 3fhq n PRO 390 Ca 0.02 0.51 0.19 0.00 -2.02 0.00 0.00 63.50 62.20 3fhq n PRO 390 Cb 0.58 -2.21 0.37 0.00 -0.02 0.00 0.00 33.50 32.21 3fhq n PRO 390 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3fhq h THR 391 N 4.54 0.02 -3.34 3.45 2.02 -1.64 -3.40 112.91 114.56 3fhq h THR 391 Ca -0.47 -0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.06 3fhq h THR 391 Cb 1.31 0.01 -0.24 0.00 -1.74 0.00 0.00 68.15 67.48 3fhq h THR 391 CO 0.90 0.00 -0.70 0.26 0.37 0.00 0.00 175.52 176.35 3fhq s TRP 392 N -5.88 2.96 -0.42 3.16 0.51 -1.08 -4.95 118.94 113.23 3fhq s TRP 392 Ca -0.12 -0.52 0.02 0.00 -2.12 0.00 0.00 56.10 53.35 3fhq s TRP 392 Cb 0.30 -1.97 0.13 0.00 -0.81 0.00 0.00 33.47 31.12 3fhq s TRP 392 CO 0.78 -0.20 0.22 1.03 -0.51 0.00 0.00 176.95 178.27 3fhq s ARG 393 N 0.64 1.21 0.01 4.98 1.81 -1.26 -4.39 118.95 121.95 3fhq s ARG 393 Ca -0.03 -1.88 -0.00 0.00 -1.72 0.00 0.00 55.73 52.09 3fhq s ARG 393 Cb -0.15 -2.29 -0.01 0.00 -0.45 0.00 0.00 34.95 32.05 3fhq s ARG 393 CO 0.02 -1.14 -0.01 -1.58 -0.68 0.00 0.00 175.30 171.92 3fhq s TRP 394 N 0.53 0.16 -0.32 -0.53 0.52 0.20 -4.21 118.94 115.29 3fhq s TRP 394 Ca 0.17 -0.34 0.01 0.00 0.02 0.00 0.00 56.10 55.96 3fhq s TRP 394 Cb -0.24 -0.12 0.08 0.00 -1.15 0.00 0.00 33.47 32.04 3fhq s TRP 394 CO -0.02 -0.13 0.03 0.42 0.02 0.00 0.00 176.95 177.26 3fhq s ILE 395 N -0.99 2.68 0.27 2.03 1.01 -1.26 -4.30 121.20 120.64 3fhq s ILE 395 Ca -0.11 -1.81 0.11 0.00 0.00 0.00 0.00 60.65 58.83 3fhq s ILE 395 Cb -0.07 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.64 3fhq s ILE 395 CO -0.01 -0.32 -0.17 -1.10 0.00 0.00 0.00 174.94 173.34 3fhq s GLN 396 N 1.11 1.63 -0.05 2.79 -0.21 -1.26 -1.13 119.66 122.53 3fhq s GLN 396 Ca 0.01 -1.76 0.01 0.00 0.02 0.00 0.00 55.36 53.64 3fhq s GLN 396 Cb -0.20 -1.62 0.02 0.00 1.00 0.00 0.00 33.01 32.21 3fhq s GLN 396 CO -0.04 0.27 -0.06 -1.01 -2.12 0.00 0.00 175.29 172.32 3fhq s HIS 397 N -2.63 0.96 0.14 0.91 3.76 0.02 -4.97 115.29 113.47 3fhq s HIS 397 Ca 0.29 -0.32 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 3fhq s HIS 397 Cb -0.03 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 32.86 3fhq s HIS 397 CO 0.14 -0.24 0.00 0.41 -0.85 0.00 0.00 174.74 174.20 3fhq n GLY 398 N 4.09 -2.40 0.80 -2.22 0.00 -1.26 -1.25 105.19 102.95 3fhq n GLY 398 Ca -0.23 -1.38 0.11 0.00 0.00 0.00 0.00 46.02 44.52 3fhq n GLY 398 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fhq n GLY 399 N -2.81 -1.90 2.68 -0.02 0.00 -1.26 -4.61 105.19 97.27 3fhq n GLY 399 Ca -0.02 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 3fhq n GLY 399 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3fhq n ASP 400 N -3.07 4.12 -4.62 1.61 2.03 -0.17 -5.05 116.55 111.40 3fhq n ASP 400 Ca -0.01 -3.37 -0.25 0.00 0.52 0.00 0.00 54.79 51.69 3fhq n ASP 400 Cb 0.37 -0.82 -0.08 0.00 -0.72 0.00 0.00 41.12 39.86 3fhq n ASP 400 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3fhq s LEU 401 N -2.23 3.13 0.05 -2.67 1.02 -1.26 -1.72 118.68 115.00 3fhq s LEU 401 Ca 0.35 -0.58 0.07 0.00 0.02 0.00 0.00 54.13 53.98 3fhq s LEU 401 Cb 0.08 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.53 3fhq s LEU 401 CO -0.03 0.05 -0.19 -0.70 0.02 0.00 0.00 176.35 175.50 3fhq s GLU 402 N -3.24 1.23 -0.06 1.70 2.12 0.71 -4.95 118.70 116.20 3fhq s GLU 402 Ca 0.28 -0.89 0.05 0.00 0.36 0.00 0.00 54.97 54.77 3fhq s GLU 402 Cb -0.08 -1.32 -0.01 0.00 0.26 0.00 0.00 34.13 32.99 3fhq s GLU 402 CO 0.18 0.33 -0.23 0.00 -0.54 0.00 0.00 175.26 175.00 3fhq s ALA 403 N -0.83 2.01 0.33 6.30 0.00 -1.26 -1.21 121.76 127.10 3fhq s ALA 403 Ca 0.06 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 3fhq s ALA 403 Cb -0.09 -0.66 0.03 0.00 0.00 0.00 0.00 23.12 22.41 3fhq s ALA 403 CO 0.02 0.36 0.67 -0.08 0.00 0.00 0.00 175.76 176.73 3fhq s THR 404 N -0.02 0.00 0.17 0.00 -1.32 -0.57 -4.99 115.64 108.90 3fhq s THR 404 Ca -0.06 -1.16 -0.19 0.00 -1.21 0.00 0.00 61.69 59.07 3fhq s THR 404 Cb -0.14 -2.51 -0.08 0.00 -1.51 0.00 0.00 72.50 68.27 3fhq s THR 404 CO 0.04 0.00 0.66 -0.36 -2.21 0.00 0.00 174.62 172.75 3fhq s PHE 405 N -3.11 3.70 -0.05 9.09 0.08 -1.26 -0.29 117.98 126.13 3fhq s PHE 405 Ca 0.18 1.32 0.05 0.00 0.12 0.00 0.00 56.93 58.59 3fhq s PHE 405 Cb -0.04 -2.55 -0.02 0.00 -0.57 0.00 0.00 43.02 39.84 3fhq s PHE 405 CO 0.11 0.43 -0.20 0.45 -0.10 0.00 0.00 175.22 175.91 3fhq s SER 406 N -1.49 3.50 -0.08 1.36 0.15 -0.11 -4.82 113.70 112.21 3fhq s SER 406 Ca 0.38 -0.37 0.15 0.00 0.70 0.00 0.00 55.95 56.80 3fhq s SER 406 Cb -0.18 -0.81 0.49 0.00 -1.71 0.00 0.00 66.02 63.82 3fhq s SER 406 CO 0.21 0.29 1.41 0.79 1.20 0.00 0.00 173.24 177.14 3fhq n TRP 407 N 2.67 0.89 -0.02 3.44 8.01 -1.26 -1.39 117.44 129.78 3fhq n TRP 407 Ca -0.17 -0.64 -0.06 0.00 -1.31 0.00 0.00 57.50 55.32 3fhq n TRP 407 Cb 0.52 -0.16 -0.13 0.00 -2.01 0.00 0.00 31.31 29.52 3fhq n TRP 407 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3fhq n GLU 408 N 0.43 0.64 -4.58 -0.99 -0.58 -1.26 -4.59 120.64 109.72 3fhq n GLU 408 Ca 0.19 0.21 -0.23 0.00 -0.42 0.00 0.00 57.16 56.91 3fhq n GLU 408 Cb 0.69 -1.74 -0.16 0.00 -0.57 0.00 0.00 31.44 29.67 3fhq n GLU 408 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3fhq s GLU 409 N -2.68 1.28 -0.08 3.49 0.41 -1.26 -5.11 118.70 114.76 3fhq s GLU 409 Ca -0.05 -0.43 -0.17 0.00 -0.41 0.00 0.00 54.97 53.91 3fhq s GLU 409 Cb 0.08 -1.16 0.04 0.00 -1.78 0.00 0.00 34.13 31.30 3fhq s GLU 409 CO 0.83 0.18 0.40 0.00 -0.49 0.00 0.00 175.26 176.17 3fhq s ALA 410 N 0.10 -1.01 -0.22 5.21 0.00 -1.26 -2.24 121.76 122.34 3fhq s ALA 410 Ca -0.03 0.81 -0.01 0.00 0.00 0.00 0.00 51.96 52.73 3fhq s ALA 410 Cb -0.09 -0.25 -0.13 0.00 0.00 0.00 0.00 23.12 22.64 3fhq s ALA 410 CO 0.01 -0.25 -0.21 0.34 0.00 0.00 0.00 175.76 175.65 3fhq n PHE 411 N 1.89 0.00 -3.67 0.00 -0.00 -1.26 -4.22 117.46 110.20 3fhq n PHE 411 Ca -0.18 0.00 -0.23 0.00 -0.00 0.00 0.00 57.45 57.04 3fhq n PHE 411 Cb 0.57 -0.82 -0.17 0.00 -0.00 0.00 0.00 39.48 39.05 3fhq n PHE 411 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3fhq s GLU 412 N -2.42 0.14 0.00 -4.13 0.41 -1.26 -1.35 118.70 110.09 3fhq s GLU 412 Ca -0.29 0.12 0.00 0.00 -0.41 0.00 0.00 54.97 54.38 3fhq s GLU 412 Cb 0.08 -1.15 0.00 0.00 -1.78 0.00 0.00 34.13 31.29 3fhq s GLU 412 CO 0.47 -0.46 0.00 0.41 -0.49 0.00 0.00 175.26 175.19 3fhq n GLY 413 N 5.25 1.07 0.00 -1.39 0.00 -0.22 -4.67 105.19 105.22 3fhq n GLY 413 Ca -0.05 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3fhq n GLY 413 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fhq n GLY 414 N 0.00 -0.13 3.26 -0.02 0.00 -1.26 0.73 105.19 107.77 3fhq n GLY 414 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3fhq n GLY 414 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fhq s SER 415 N -0.20 0.09 0.16 1.61 1.04 -1.26 -4.52 113.70 110.62 3fhq s SER 415 Ca 0.00 -0.77 -0.01 0.00 0.48 0.00 0.00 55.95 55.65 3fhq s SER 415 Cb 0.00 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 3fhq s SER 415 CO 0.00 -0.80 0.10 -0.94 0.98 0.00 0.00 173.24 172.57 3fhq s SER 416 N -2.91 0.23 -0.29 7.02 1.04 -0.48 -4.48 113.70 113.82 3fhq s SER 416 Ca 0.11 -1.28 -0.21 0.00 0.48 0.00 0.00 55.95 55.05 3fhq s SER 416 Cb 0.04 0.34 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 3fhq s SER 416 CO -0.06 -0.79 0.66 -0.22 0.98 0.00 0.00 173.24 173.82 3fhq s LEU 417 N -3.10 4.11 -0.20 2.42 2.96 -0.33 -0.93 118.68 123.61 3fhq s LEU 417 Ca 0.31 0.57 -0.11 0.00 -0.22 0.00 0.00 54.13 54.68 3fhq s LEU 417 Cb 0.07 -2.88 -0.05 0.00 0.50 0.00 0.00 46.19 43.83 3fhq s LEU 417 CO 0.06 -0.47 0.18 -1.58 -1.32 0.00 0.00 176.35 173.23 3fhq s GLN 418 N 2.63 4.19 -0.21 1.98 0.74 0.60 -1.01 119.66 128.58 3fhq s GLN 418 Ca 0.27 -0.14 -0.02 0.00 0.05 0.00 0.00 55.36 55.52 3fhq s GLN 418 Cb -0.15 -3.45 0.06 0.00 1.10 0.00 0.00 33.01 30.57 3fhq s GLN 418 CO 0.11 0.23 0.01 -0.46 -0.55 0.00 0.00 175.29 174.62 3fhq s TRP 419 N 0.54 1.47 0.05 1.67 -0.00 -0.33 -1.51 118.94 120.83 3fhq s TRP 419 Ca 0.10 -1.15 -0.18 0.00 -0.00 0.00 0.00 56.10 54.88 3fhq s TRP 419 Cb -0.12 -1.21 0.03 0.00 -0.00 0.00 0.00 33.47 32.18 3fhq s TRP 419 CO 0.01 -0.66 0.41 -3.38 -0.00 0.00 0.00 176.95 173.32 3fhq s HIS 420 N 1.71 -0.25 -1.38 5.86 -3.43 -0.35 0.29 115.29 117.74 3fhq s HIS 420 Ca -0.02 0.20 0.00 0.00 -0.80 0.00 0.00 55.06 54.43 3fhq s HIS 420 Cb -0.18 0.21 0.00 0.00 -1.43 0.00 0.00 32.58 31.19 3fhq s HIS 420 CO -0.07 -0.57 0.00 0.41 -2.00 0.00 0.00 174.74 172.50 3fhq n GLY 421 N 0.48 0.38 3.58 -1.38 0.00 0.78 -0.21 105.19 108.81 3fhq n GLY 421 Ca -0.18 -1.24 -0.34 0.00 0.00 0.00 0.00 46.02 44.26 3fhq n GLY 421 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3fhq s SER 422 N -4.00 5.30 -0.19 1.61 0.01 -0.70 -0.92 113.70 114.81 3fhq s SER 422 Ca 0.00 -0.00 -0.04 0.00 1.31 0.00 0.00 55.95 57.22 3fhq s SER 422 Cb 0.00 -1.89 0.06 0.00 0.21 0.00 0.00 66.02 64.40 3fhq s SER 422 CO 0.00 0.17 0.08 -0.22 0.41 0.00 0.00 173.24 173.68 3fhq s LEU 423 N 0.36 0.64 0.51 2.44 2.96 0.53 -1.00 118.68 125.12 3fhq s LEU 423 Ca 0.00 -0.73 -0.21 0.00 -0.22 0.00 0.00 54.13 52.97 3fhq s LEU 423 Cb -0.13 -0.36 -0.06 0.00 0.50 0.00 0.00 46.19 46.14 3fhq s LEU 423 CO 0.01 -0.34 1.20 0.00 -1.32 0.00 0.00 176.35 175.90 3fhq s ALA 424 N 2.04 2.82 0.12 5.97 0.00 -1.26 -3.76 121.76 127.70 3fhq s ALA 424 Ca 0.02 1.00 -0.35 0.00 0.00 0.00 0.00 51.96 52.63 3fhq s ALA 424 Cb -0.16 -3.42 -0.17 0.00 0.00 0.00 0.00 23.12 19.37 3fhq s ALA 424 CO -0.10 -0.89 1.16 -1.91 0.00 0.00 0.00 175.76 174.01 3fhq n GLU 425 N -0.93 0.91 -0.65 0.00 2.13 -1.14 -1.12 120.64 119.84 3fhq n GLU 425 Ca 0.10 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.24 3fhq n GLU 425 Cb 0.48 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.36 3fhq n GLU 425 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3fhq n GLY 426 N 2.07 1.56 3.91 8.31 0.00 -0.62 -4.90 105.19 115.52 3fhq n GLY 426 Ca 0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.91 3fhq n GLY 426 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fhq s GLU 427 N -0.05 3.60 -0.03 1.61 2.12 -0.28 -4.82 118.70 120.84 3fhq s GLU 427 Ca 0.00 -0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.30 3fhq s GLU 427 Cb 0.00 -2.65 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 3fhq s GLU 427 CO 0.00 0.20 -0.10 -1.01 -0.54 0.00 0.00 175.26 173.82 3fhq s HIS 428 N -2.12 2.82 0.00 5.30 3.76 -1.26 -0.73 115.29 123.06 3fhq s HIS 428 Ca 0.43 -0.07 0.01 0.00 -0.15 0.00 0.00 55.06 55.28 3fhq s HIS 428 Cb -0.11 -1.64 -0.01 0.00 1.11 0.00 0.00 32.58 31.94 3fhq s HIS 428 CO 0.31 0.29 -0.04 0.00 -0.85 0.00 0.00 174.74 174.45 3fhq s ALA 429 N -0.85 0.35 0.09 -1.40 0.00 -0.47 -4.04 121.76 115.45 3fhq s ALA 429 Ca 0.14 -0.23 0.07 0.00 0.00 0.00 0.00 51.96 51.94 3fhq s ALA 429 Cb -0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 3fhq s ALA 429 CO 0.03 0.07 -0.18 -0.65 0.00 0.00 0.00 175.76 175.03 3fhq s GLN 430 N -0.23 1.02 -0.12 0.00 1.11 -0.38 -1.10 119.66 119.96 3fhq s GLN 430 Ca 0.00 -1.10 -0.01 0.00 0.01 0.00 0.00 55.36 54.26 3fhq s GLN 430 Cb -0.02 -1.18 0.03 0.00 -1.01 0.00 0.00 33.01 30.83 3fhq s GLN 430 CO -0.00 0.27 -0.06 -1.50 0.01 0.00 0.00 175.29 174.01 3fhq s ILE 431 N -1.27 0.95 -0.27 1.08 2.07 -0.09 -0.80 121.20 122.88 3fhq s ILE 431 Ca 0.04 -0.31 -0.18 0.00 -1.41 0.00 0.00 60.65 58.79 3fhq s ILE 431 Cb -0.10 -1.03 -0.03 0.00 0.13 0.00 0.00 42.46 41.44 3fhq s ILE 431 CO 0.04 0.30 0.51 -1.61 -1.91 0.00 0.00 174.94 172.27 3fhq s GLU 432 N 1.73 4.04 -0.20 3.50 2.02 -0.29 -1.06 118.70 128.45 3fhq s GLU 432 Ca 0.04 0.29 -0.06 0.00 0.02 0.00 0.00 54.97 55.26 3fhq s GLU 432 Cb -0.13 -3.66 -0.10 0.00 0.10 0.00 0.00 34.13 30.34 3fhq s GLU 432 CO -0.08 -0.37 -0.23 1.28 0.02 0.00 0.00 175.26 175.89 3fhq n LEU 433 N 5.55 1.95 -4.09 1.80 4.77 -0.27 -4.28 117.00 122.44 3fhq n LEU 433 Ca -0.04 0.13 -0.26 0.00 -0.03 0.00 0.00 56.01 55.81 3fhq n LEU 433 Cb 0.50 -0.61 -0.16 0.00 -2.33 0.00 0.00 43.42 40.81 3fhq n LEU 433 CO 0.40 0.55 -0.49 -0.31 -1.33 0.00 0.00 177.39 176.22 3fhq s TYR 434 N -2.37 1.65 0.01 -1.77 1.51 -0.63 -1.54 117.35 114.22 3fhq s TYR 434 Ca -0.27 -0.57 -0.28 0.00 -1.01 0.00 0.00 57.07 54.94 3fhq s TYR 434 Cb 0.09 -1.16 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 3fhq s TYR 434 CO 0.38 -0.25 0.90 -1.14 -1.11 0.00 0.00 175.55 174.34 3fhq s GLN 435 N 0.38 4.55 0.28 -0.62 2.00 -1.26 -1.06 119.66 123.93 3fhq s GLN 435 Ca -0.11 1.29 0.03 0.00 -2.00 0.00 0.00 55.36 54.56 3fhq s GLN 435 Cb -0.14 -3.44 -0.03 0.00 0.80 0.00 0.00 33.01 30.20 3fhq s GLN 435 CO 0.04 0.05 0.26 0.95 -0.50 0.00 0.00 175.29 176.08 3fhq s THR 436 N 0.71 0.00 -0.48 -0.34 -4.23 0.09 -4.60 115.64 106.79 3fhq s THR 436 Ca 0.47 -1.93 0.06 0.00 -1.18 0.00 0.00 61.69 59.11 3fhq s THR 436 Cb -0.21 -2.50 0.18 0.00 1.34 0.00 0.00 72.50 71.31 3fhq s THR 436 CO 0.26 0.00 0.58 -0.70 -0.54 0.00 0.00 174.62 174.22 3fhq s GLU 437 N -3.67 1.00 -0.28 3.99 2.12 -0.38 -4.16 118.70 117.32 3fhq s GLU 437 Ca 0.38 -1.40 0.02 0.00 0.36 0.00 0.00 54.97 54.33 3fhq s GLU 437 Cb 0.04 -0.53 0.06 0.00 0.26 0.00 0.00 34.13 33.96 3fhq s GLU 437 CO 0.21 -1.34 -0.06 -0.51 -0.54 0.00 0.00 175.26 173.01 3fhq s LEU 438 N 0.63 3.71 0.02 2.70 1.43 0.12 -3.84 118.68 123.44 3fhq s LEU 438 Ca 0.30 -1.46 -0.30 0.00 -1.03 0.00 0.00 54.13 51.64 3fhq s LEU 438 Cb 0.01 -1.60 -0.07 0.00 0.03 0.00 0.00 46.19 44.56 3fhq s LEU 438 CO -0.10 -0.23 1.72 -2.84 0.23 0.00 0.00 176.35 175.13 3fhq s PRO 439 N 1.11 4.18 -0.00 1.29 0.02 -1.26 -0.95 135.00 139.39 3fhq s PRO 439 Ca -0.06 2.34 -0.23 0.00 0.02 0.00 0.00 61.00 63.07 3fhq s PRO 439 Cb -0.20 -3.85 -0.05 0.00 0.02 0.00 0.00 34.50 30.42 3fhq s PRO 439 CO -0.04 -0.82 0.69 0.42 -0.33 0.00 0.00 177.00 176.91 3fhq s ILE 440 N 3.50 4.88 0.18 2.83 1.01 0.18 -4.90 121.20 128.87 3fhq s ILE 440 Ca 0.77 1.44 0.01 0.00 0.00 0.00 0.00 60.65 62.87 3fhq s ILE 440 Cb -0.38 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.02 3fhq s ILE 440 CO 0.33 0.35 0.02 -0.94 0.00 0.00 0.00 174.94 174.70 3fhq s SER 441 N 0.12 1.12 0.36 3.58 1.04 -1.26 -0.71 113.70 117.95 3fhq s SER 441 Ca 0.35 -1.20 -0.28 0.00 0.48 0.00 0.00 55.95 55.31 3fhq s SER 441 Cb -0.19 0.14 -0.12 0.00 0.10 0.00 0.00 66.02 65.95 3fhq s SER 441 CO 0.20 -0.60 1.34 -0.62 0.98 0.00 0.00 173.24 174.53 3fhq n GLU 442 N -0.25 2.25 -0.02 4.02 1.02 -1.26 -1.33 120.64 125.06 3fhq n GLU 442 Ca -0.06 0.79 0.00 0.00 -0.02 0.00 0.00 57.16 57.87 3fhq n GLU 442 Cb 0.64 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 3fhq n GLU 442 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fhq n GLY 443 N 0.69 1.02 3.67 0.62 0.00 -1.26 -5.04 105.19 104.89 3fhq n GLY 443 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3fhq n GLY 443 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fhq s THR 444 N -2.37 4.93 0.15 2.61 2.01 -0.44 -4.92 115.64 117.59 3fhq s THR 444 Ca 0.00 1.52 0.11 0.00 0.31 0.00 0.00 61.69 63.63 3fhq s THR 444 Cb 0.00 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 3fhq s THR 444 CO 0.00 0.07 -0.25 -0.44 -0.69 0.00 0.00 174.62 173.31 3fhq s SER 445 N 1.13 3.25 -0.27 3.53 0.01 0.50 -1.64 113.70 120.21 3fhq s SER 445 Ca 0.36 -0.78 -0.17 0.00 1.31 0.00 0.00 55.95 56.67 3fhq s SER 445 Cb -0.17 -0.22 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 3fhq s SER 445 CO 0.13 0.14 0.47 -0.76 0.41 0.00 0.00 173.24 173.63 3fhq s LEU 446 N -2.25 4.07 0.17 2.44 1.43 0.57 -1.48 118.68 123.64 3fhq s LEU 446 Ca 0.15 0.41 0.09 0.00 -1.03 0.00 0.00 54.13 53.75 3fhq s LEU 446 Cb -0.09 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.50 3fhq s LEU 446 CO 0.07 -0.27 -0.12 0.42 0.23 0.00 0.00 176.35 176.67 3fhq s THR 447 N 2.25 3.07 0.08 5.49 -4.23 0.23 0.57 115.64 123.10 3fhq s THR 447 Ca 0.19 -1.67 -0.21 0.00 -1.18 0.00 0.00 61.69 58.82 3fhq s THR 447 Cb -0.16 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.24 3fhq s THR 447 CO 0.10 -0.08 0.51 -1.66 -0.54 0.00 0.00 174.62 172.95 3fhq s TRP 448 N -1.62 -0.40 -0.03 3.99 -2.14 -0.79 -1.08 118.94 116.85 3fhq s TRP 448 Ca 0.24 0.33 -0.01 0.00 2.66 0.00 0.00 56.10 59.31 3fhq s TRP 448 Cb -0.09 0.36 0.03 0.00 -3.10 0.00 0.00 33.47 30.67 3fhq s TRP 448 CO 0.14 -0.69 0.05 0.99 -2.66 0.00 0.00 176.95 174.77 3fhq s THR 449 N -2.95 -0.07 0.15 0.66 2.01 0.21 -1.08 115.64 114.57 3fhq s THR 449 Ca -0.02 0.34 -0.07 0.00 0.31 0.00 0.00 61.69 62.24 3fhq s THR 449 Cb -0.00 -0.15 -0.02 0.00 0.01 0.00 0.00 72.50 72.35 3fhq s THR 449 CO -0.06 0.15 0.23 0.72 -0.69 0.00 0.00 174.62 174.97 3fhq s PHE 450 N 1.77 0.49 0.06 4.92 -0.71 -0.38 0.15 117.98 124.29 3fhq s PHE 450 Ca -0.00 -0.86 0.07 0.00 -1.04 0.00 0.00 56.93 55.10 3fhq s PHE 450 Cb -0.12 -0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.49 3fhq s PHE 450 CO -0.03 -0.66 -0.16 0.15 -1.34 0.00 0.00 175.22 173.18 3fhq s LYS 451 N -3.98 2.05 -0.20 1.99 1.02 0.73 -0.60 119.74 120.75 3fhq s LYS 451 Ca 0.18 -1.01 -0.01 0.00 0.02 0.00 0.00 55.97 55.15 3fhq s LYS 451 Cb 0.04 -2.22 0.05 0.00 -0.52 0.00 0.00 37.83 35.19 3fhq s LYS 451 CO -0.00 0.53 -0.02 0.45 -0.92 0.00 0.00 175.35 175.39 3fhq s SER 452 N -1.71 3.18 0.60 2.83 0.15 -1.26 -1.73 113.70 115.76 3fhq s SER 452 Ca 0.17 -0.89 0.39 0.00 0.70 0.00 0.00 55.95 56.33 3fhq s SER 452 Cb -0.11 -0.88 1.98 0.00 -1.71 0.00 0.00 66.02 65.31 3fhq s SER 452 CO 0.08 -0.25 2.19 -0.33 1.20 0.00 0.00 173.24 176.13 3fhq h GLU 453 N 8.11 0.00 0.00 5.44 4.39 -1.62 -2.94 114.58 127.97 3fhq h GLU 453 Ca -0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.51 3fhq h GLU 453 Cb 1.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 3fhq h GLU 453 CO 0.38 0.00 -0.03 0.72 -1.16 0.00 0.00 179.01 178.92 3fhq n HIS 454 N -3.02 0.00 -0.03 4.33 8.25 -1.26 -4.99 115.22 118.50 3fhq n HIS 454 Ca -0.02 -0.54 0.00 0.00 -0.26 0.00 0.00 57.72 56.91 3fhq n HIS 454 Cb 0.15 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.19 3fhq n HIS 454 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3fhq n ASP 455 N -0.65 0.00 -4.50 0.41 8.00 -1.11 -4.96 116.55 113.74 3fhq n ASP 455 Ca 0.04 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.16 3fhq n ASP 455 Cb 0.40 -0.09 0.05 0.00 -0.02 0.00 0.00 41.12 41.45 3fhq n ASP 455 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3fhq n ASN 456 N 0.00 -0.64 -4.90 -2.24 4.13 -1.26 -4.96 115.26 105.39 3fhq n ASN 456 Ca 0.00 0.73 -0.28 0.00 1.68 0.00 0.00 54.58 56.70 3fhq n ASN 456 Cb 0.00 -1.23 -0.02 0.00 -1.54 0.00 0.00 39.78 36.99 3fhq n ASN 456 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3fhq s ASP 457 N -1.25 6.37 -0.31 6.41 2.15 -1.26 -4.80 116.67 123.98 3fhq s ASP 457 Ca 0.70 0.94 -0.05 0.00 0.43 0.00 0.00 52.55 54.57 3fhq s ASP 457 Cb -0.42 -2.24 0.04 0.00 -0.30 0.00 0.00 42.92 39.99 3fhq s ASP 457 CO 0.53 -0.46 0.05 -0.22 -0.17 0.00 0.00 175.17 174.91 3fhq s LEU 458 N -4.28 4.00 0.39 -1.34 2.96 -1.26 -4.50 118.68 114.65 3fhq s LEU 458 Ca 0.48 -1.08 -0.18 0.00 -0.22 0.00 0.00 54.13 53.12 3fhq s LEU 458 Cb -0.10 -1.80 -0.10 0.00 0.50 0.00 0.00 46.19 44.69 3fhq s LEU 458 CO 0.38 -0.27 0.85 0.20 -1.32 0.00 0.00 176.35 176.20 3fhq s ASN 459 N 1.37 6.84 0.13 3.68 0.01 0.54 -4.82 114.94 122.69 3fhq s ASN 459 Ca -0.02 1.49 -0.08 0.00 -0.71 0.00 0.00 52.86 53.54 3fhq s ASN 459 Cb -0.19 -2.46 -0.06 0.00 0.41 0.00 0.00 41.25 38.95 3fhq s ASN 459 CO 0.01 -0.30 0.42 0.54 -1.51 0.00 0.00 177.10 176.25 3fhq s VAL 460 N -2.12 5.09 -0.06 1.60 0.11 -0.93 -1.42 120.40 122.67 3fhq s VAL 460 Ca 0.58 0.31 0.05 0.00 -2.93 0.00 0.00 61.98 60.00 3fhq s VAL 460 Cb -0.10 -3.63 -0.01 0.00 -1.53 0.00 0.00 36.38 31.11 3fhq s VAL 460 CO 0.16 0.14 -0.24 -0.83 -3.33 0.00 0.00 175.10 171.00 3fhq s GLY 461 N -2.10 1.25 -0.01 6.54 0.00 0.27 -1.93 107.32 111.33 3fhq s GLY 461 Ca 0.38 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 44.14 3fhq s GLY 461 CO 0.21 -0.53 -0.04 -0.11 0.00 0.00 0.00 173.10 172.63 3fhq s PHE 462 N -0.02 0.42 -0.15 1.90 -0.12 -0.78 -0.07 117.98 119.16 3fhq s PHE 462 Ca -0.07 -0.08 -0.05 0.00 -0.05 0.00 0.00 56.93 56.68 3fhq s PHE 462 Cb -0.14 -0.30 -0.04 0.00 -0.63 0.00 0.00 43.02 41.91 3fhq s PHE 462 CO 0.05 -0.03 0.03 0.50 -0.05 0.00 0.00 175.22 175.71 3fhq s ARG 463 N 0.06 3.64 0.00 1.99 3.52 -0.35 -0.39 118.95 127.44 3fhq s ARG 463 Ca -0.00 -0.39 -0.01 0.00 -0.13 0.00 0.00 55.73 55.19 3fhq s ARG 463 Cb -0.04 -3.04 -0.04 0.00 -1.56 0.00 0.00 34.95 30.27 3fhq s ARG 463 CO -0.00 0.39 0.15 -0.51 -0.81 0.00 0.00 175.30 174.53 3fhq s LEU 464 N -0.00 4.22 -0.21 -0.88 1.43 -1.26 -0.29 118.68 121.69 3fhq s LEU 464 Ca 0.04 0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 53.12 3fhq s LEU 464 Cb -0.13 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.49 3fhq s LEU 464 CO 0.02 0.25 1.91 -0.62 0.23 0.00 0.00 176.35 178.14 3fhq s ASP 465 N -1.98 5.95 -0.02 2.29 2.15 0.59 -4.81 116.67 120.84 3fhq s ASP 465 Ca 0.27 1.78 0.06 0.00 0.43 0.00 0.00 52.55 55.09 3fhq s ASP 465 Cb -0.12 -2.52 -0.01 0.00 -0.30 0.00 0.00 42.92 39.96 3fhq s ASP 465 CO 0.19 -1.58 -0.19 -0.83 -0.17 0.00 0.00 175.17 172.58 3fhq s GLY 466 N 6.10 0.95 0.13 2.66 0.00 -1.26 -4.78 107.32 111.12 3fhq s GLY 466 Ca 0.86 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.76 3fhq s GLY 466 CO 0.34 -0.63 0.00 1.22 0.00 0.00 0.00 173.10 174.03 3fhq n ASP 469 N 2.71 -2.78 -4.84 1.64 8.00 -1.26 -5.16 116.55 114.87 3fhq n ASP 469 Ca -0.16 0.90 -0.35 0.00 0.71 0.00 0.00 54.79 55.90 3fhq n ASP 469 Cb 0.53 -2.60 -0.06 0.00 -0.02 0.00 0.00 41.12 38.97 3fhq n ASP 469 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3fhq s PHE 470 N -1.85 3.59 -0.38 1.24 0.08 -1.26 -4.57 117.98 114.82 3fhq s PHE 470 Ca 0.00 1.17 -0.19 0.00 0.12 0.00 0.00 56.93 58.03 3fhq s PHE 470 Cb 0.00 -2.46 0.01 0.00 -0.57 0.00 0.00 43.02 40.00 3fhq s PHE 470 CO 0.00 0.36 0.55 1.03 -0.10 0.00 0.00 175.22 177.06 3fhq s ARG 471 N -2.11 3.48 -0.27 0.44 1.81 0.48 -4.90 118.95 117.88 3fhq s ARG 471 Ca 0.42 -0.26 -0.12 0.00 -1.72 0.00 0.00 55.73 54.05 3fhq s ARG 471 Cb -0.15 -3.86 -0.05 0.00 -0.45 0.00 0.00 34.95 30.44 3fhq s ARG 471 CO 0.20 -0.78 0.22 0.71 -0.68 0.00 0.00 175.30 174.97 3fhq s TYR 472 N 2.52 3.25 0.08 -0.53 2.02 -1.26 -1.87 117.35 121.56 3fhq s TYR 472 Ca 0.20 0.21 0.01 0.00 -0.37 0.00 0.00 57.07 57.11 3fhq s TYR 472 Cb -0.15 -2.38 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 3fhq s TYR 472 CO 0.15 -0.11 -0.05 0.14 -1.57 0.00 0.00 175.55 174.11 3fhq s VAL 473 N 1.61 0.53 0.24 0.71 -7.23 -0.81 -5.01 120.40 110.43 3fhq s VAL 473 Ca 0.09 -1.89 -0.05 0.00 -1.81 0.00 0.00 61.98 58.32 3fhq s VAL 473 Cb -0.15 -1.62 -0.05 0.00 0.56 0.00 0.00 36.38 35.11 3fhq s VAL 473 CO 0.09 -0.92 0.49 -1.83 -0.31 0.00 0.00 175.10 172.63 3fhq s GLU 474 N -3.86 3.64 1.08 4.82 -1.05 -1.26 -2.18 118.70 119.90 3fhq s GLU 474 Ca 0.10 -0.02 -0.12 0.00 -0.15 0.00 0.00 54.97 54.78 3fhq s GLU 474 Cb 0.06 -2.72 0.23 0.00 -0.44 0.00 0.00 34.13 31.26 3fhq s GLU 474 CO -0.07 0.31 0.99 0.41 0.95 0.00 0.00 175.26 177.86 3fhq n GLY 475 N -0.55 -1.48 0.15 -3.83 0.00 -1.26 -4.97 105.19 93.25 3fhq n GLY 475 Ca -0.02 -0.99 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 3fhq n GLY 475 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3fhq n GLU 476 N -4.50 0.59 -4.46 1.61 2.13 -0.44 -4.93 120.64 110.64 3fhq n GLU 476 Ca 0.06 0.20 -0.33 0.00 0.66 0.00 0.00 57.16 57.75 3fhq n GLU 476 Cb 0.54 -1.47 -0.16 0.00 0.27 0.00 0.00 31.44 30.62 3fhq n GLU 476 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3fhq s GLN 477 N -2.49 3.13 -0.03 5.31 2.00 -0.85 -4.97 119.66 121.75 3fhq s GLN 477 Ca -0.36 -0.79 -0.03 0.00 -2.00 0.00 0.00 55.36 52.19 3fhq s GLN 477 Cb 0.12 -2.58 -0.04 0.00 0.80 0.00 0.00 33.01 31.31 3fhq s GLN 477 CO 0.52 -0.05 0.13 0.50 -0.50 0.00 0.00 175.29 175.89 3fhq s ARG 478 N 0.94 3.28 0.00 1.67 3.52 -1.26 -1.00 118.95 126.11 3fhq s ARG 478 Ca -0.03 -0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 3fhq s ARG 478 Cb -0.15 -3.01 -0.01 0.00 -1.56 0.00 0.00 34.95 30.22 3fhq s ARG 478 CO -0.03 0.69 -0.01 -2.00 -0.81 0.00 0.00 175.30 173.13 3fhq s GLU 479 N -1.63 0.12 -0.16 5.12 2.12 -0.46 -4.98 118.70 118.83 3fhq s GLU 479 Ca 0.22 -0.16 -0.06 0.00 0.36 0.00 0.00 54.97 55.34 3fhq s GLU 479 Cb -0.12 -0.03 -0.04 0.00 0.26 0.00 0.00 34.13 34.21 3fhq s GLU 479 CO 0.13 0.00 0.03 -1.12 -0.54 0.00 0.00 175.26 173.76 3fhq s SER 480 N -0.35 5.34 -0.21 -1.70 0.01 -1.26 -0.86 113.70 114.66 3fhq s SER 480 Ca -0.03 0.03 -0.04 0.00 1.31 0.00 0.00 55.95 57.22 3fhq s SER 480 Cb -0.02 -1.86 0.07 0.00 0.21 0.00 0.00 66.02 64.41 3fhq s SER 480 CO -0.00 0.20 0.08 -0.63 0.41 0.00 0.00 173.24 173.30 3fhq s ILE 481 N 0.22 0.18 -1.73 1.44 1.01 0.21 -4.89 121.20 117.65 3fhq s ILE 481 Ca 0.02 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 60.00 3fhq s ILE 481 Cb -0.13 -0.89 0.15 0.00 0.01 0.00 0.00 42.46 41.61 3fhq s ILE 481 CO 0.01 -0.38 0.56 0.59 0.00 0.00 0.00 174.94 175.72 3fhq n ASN 482 N 5.17 -1.80 0.00 3.58 3.02 -1.26 -0.40 115.26 123.56 3fhq n ASN 482 Ca -0.07 -1.15 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 3fhq n ASN 482 Cb 0.46 -2.14 0.00 0.00 -0.61 0.00 0.00 39.78 37.50 3fhq n ASN 482 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fhq n GLY 483 N -1.49 0.31 3.88 7.41 0.00 -1.26 -4.81 105.19 109.22 3fhq n GLY 483 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3fhq n GLY 483 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3fhq s TRP 484 N -2.09 3.47 -0.22 1.61 0.52 0.46 -4.77 118.94 117.92 3fhq s TRP 484 Ca 0.00 0.29 -0.09 0.00 0.02 0.00 0.00 56.10 56.32 3fhq s TRP 484 Cb 0.00 -1.78 -0.04 0.00 -1.15 0.00 0.00 33.47 30.50 3fhq s TRP 484 CO 0.00 0.61 0.11 0.99 0.02 0.00 0.00 176.95 178.68 3fhq s THR 485 N -1.36 4.99 -0.26 2.01 2.01 0.23 -0.62 115.64 122.65 3fhq s THR 485 Ca 0.29 0.05 -0.02 0.00 0.31 0.00 0.00 61.69 62.32 3fhq s THR 485 Cb -0.13 -3.30 0.03 0.00 0.01 0.00 0.00 72.50 69.12 3fhq s THR 485 CO 0.21 0.39 -0.05 -1.58 -0.69 0.00 0.00 174.62 172.89 3fhq s GLN 486 N 0.88 2.75 0.14 4.92 0.74 -0.04 -1.24 119.66 127.80 3fhq s GLN 486 Ca 0.06 -1.04 -0.14 0.00 0.05 0.00 0.00 55.36 54.29 3fhq s GLN 486 Cb -0.13 -3.02 -0.07 0.00 1.10 0.00 0.00 33.01 30.89 3fhq s GLN 486 CO 0.03 -0.44 0.54 -1.58 -0.55 0.00 0.00 175.29 173.28 3fhq s TRP 487 N 1.31 3.60 -0.11 1.67 0.52 -0.24 -1.35 118.94 124.33 3fhq s TRP 487 Ca -0.01 1.03 0.03 0.00 0.02 0.00 0.00 56.10 57.17 3fhq s TRP 487 Cb -0.17 -2.35 0.01 0.00 -1.15 0.00 0.00 33.47 29.81 3fhq s TRP 487 CO -0.04 0.44 -0.20 0.99 0.02 0.00 0.00 176.95 178.16 3fhq s THR 488 N -1.46 1.84 -0.31 2.01 2.01 -0.17 -1.89 115.64 117.66 3fhq s THR 488 Ca 0.37 -0.87 0.03 0.00 0.31 0.00 0.00 61.69 61.54 3fhq s THR 488 Cb -0.15 -1.63 0.09 0.00 0.01 0.00 0.00 72.50 70.82 3fhq s THR 488 CO 0.19 0.51 0.02 -0.22 -0.69 0.00 0.00 174.62 174.43 3fhq s LEU 489 N 0.68 4.06 0.43 4.42 2.96 0.19 -1.33 118.68 130.10 3fhq s LEU 489 Ca -0.12 -1.89 -0.26 0.00 -0.22 0.00 0.00 54.13 51.65 3fhq s LEU 489 Cb -0.16 -1.49 -0.09 0.00 0.50 0.00 0.00 46.19 44.95 3fhq s LEU 489 CO 0.02 -0.34 1.46 -2.84 -1.32 0.00 0.00 176.35 173.33 3fhq s PRO 490 N 1.06 3.82 -0.11 0.98 0.02 -1.26 -0.32 135.00 139.19 3fhq s PRO 490 Ca 0.06 2.50 0.15 0.00 0.02 0.00 0.00 61.00 63.72 3fhq s PRO 490 Cb -0.19 -2.76 0.28 0.00 0.02 0.00 0.00 34.50 31.85 3fhq s PRO 490 CO -0.09 -0.74 1.18 1.28 -0.33 0.00 0.00 177.00 178.29 3fhq n LEU 491 N 0.02 2.60 -0.30 -5.54 4.77 -0.65 -4.74 117.00 113.16 3fhq n LEU 491 Ca 0.04 -2.82 0.09 0.00 -0.03 0.00 0.00 56.01 53.28 3fhq n LEU 491 Cb 0.41 -0.36 0.31 0.00 -2.33 0.00 0.00 43.42 41.45 3fhq n LEU 491 CO 0.61 0.67 1.23 0.44 -1.33 0.00 0.00 177.39 179.00 3fhq h ASP 492 N 0.44 0.78 0.00 -1.43 3.45 -1.85 0.13 116.42 117.94 3fhq h ASP 492 Ca 0.00 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.50 3fhq h ASP 492 Cb 0.98 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.63 3fhq h ASP 492 CO 0.04 0.42 0.03 0.00 -1.57 0.00 0.00 179.24 178.17 3fhq n ALA 493 N -2.40 0.94 -0.02 3.45 0.00 -1.26 -1.61 120.51 119.62 3fhq n ALA 493 Ca 0.17 0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.64 3fhq n ALA 493 Cb 0.38 -0.96 0.04 0.00 0.00 0.00 0.00 19.45 18.91 3fhq n ALA 493 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3fhq n PHE 494 N -1.52 0.12 -1.62 0.00 3.01 0.46 -5.04 117.46 112.86 3fhq n PHE 494 Ca -0.00 -0.40 -0.47 0.00 1.01 0.00 0.00 57.45 57.58 3fhq n PHE 494 Cb 0.03 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.43 3fhq n PHE 494 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3fhq n ALA 495 N -0.11 0.09 0.00 4.37 0.00 -0.63 -0.75 120.51 123.47 3fhq n ALA 495 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3fhq n ALA 495 Cb 0.26 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.57 3fhq n ALA 495 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fhq n GLY 496 N 2.13 1.72 3.95 0.00 0.00 0.12 -4.96 105.19 108.14 3fhq n GLY 496 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 3fhq n GLY 496 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3fhq s GLN 497 N -0.88 2.44 -0.10 1.61 -1.52 0.08 -4.89 119.66 116.40 3fhq s GLN 497 Ca 0.00 -0.52 0.01 0.00 -1.95 0.00 0.00 55.36 52.89 3fhq s GLN 497 Cb 0.00 -2.35 0.02 0.00 -0.22 0.00 0.00 33.01 30.46 3fhq s GLN 497 CO 0.00 -0.91 -0.09 0.99 -0.25 0.00 0.00 175.29 175.03 3fhq s THR 498 N -2.96 1.07 0.01 -0.19 2.01 -1.26 -0.65 115.64 113.66 3fhq s THR 498 Ca 0.58 -0.36 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 3fhq s THR 498 Cb -0.10 -1.04 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 3fhq s THR 498 CO 0.41 0.36 1.09 -0.63 -0.69 0.00 0.00 174.62 175.16 3fhq s ILE 499 N 1.31 4.48 -0.63 1.82 1.01 -0.13 -0.30 121.20 128.76 3fhq s ILE 499 Ca -0.02 1.78 0.05 0.00 0.00 0.00 0.00 60.65 62.46 3fhq s ILE 499 Cb -0.14 -4.14 0.06 0.00 0.01 0.00 0.00 42.46 38.26 3fhq s ILE 499 CO -0.04 0.11 0.76 0.35 0.00 0.00 0.00 174.94 176.12 3fhq n THR 500 N 4.06 0.20 -3.61 2.92 -2.24 0.61 -0.71 114.28 115.51 3fhq n THR 500 Ca 0.08 -0.60 -0.10 0.00 -2.27 0.00 0.00 64.05 61.16 3fhq n THR 500 Cb 0.48 0.99 -0.06 0.00 -2.10 0.00 0.00 70.33 69.64 3fhq n THR 500 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3fhq s GLY 501 N -0.56 -0.23 0.08 3.38 0.00 -1.20 -0.73 107.32 108.05 3fhq s GLY 501 Ca 0.07 2.34 0.08 0.00 0.00 0.00 0.00 44.72 47.22 3fhq s GLY 501 CO 0.07 1.48 -0.21 1.08 0.00 0.00 0.00 173.10 175.52 3fhq s LEU 502 N -0.36 2.25 0.30 0.66 1.43 -0.23 -1.21 118.68 121.54 3fhq s LEU 502 Ca 0.00 -0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 52.29 3fhq s LEU 502 Cb -0.03 -0.93 0.03 0.00 0.03 0.00 0.00 46.19 45.29 3fhq s LEU 502 CO -0.02 0.10 0.70 0.00 0.23 0.00 0.00 176.35 177.36 3fhq s ALA 503 N -1.03 -0.93 0.18 4.21 0.00 0.90 -1.11 121.76 123.97 3fhq s ALA 503 Ca 0.07 -0.52 0.05 0.00 0.00 0.00 0.00 51.96 51.56 3fhq s ALA 503 Cb -0.10 0.84 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 3fhq s ALA 503 CO 0.03 -1.00 -0.10 -0.06 0.00 0.00 0.00 175.76 174.64 3fhq s PHE 504 N -3.51 1.44 -0.08 0.00 0.08 -0.23 0.95 117.98 116.63 3fhq s PHE 504 Ca 0.14 -0.73 -0.17 0.00 0.12 0.00 0.00 56.93 56.29 3fhq s PHE 504 Cb -0.05 -0.73 0.04 0.00 -0.57 0.00 0.00 43.02 41.70 3fhq s PHE 504 CO 0.09 0.14 0.41 0.00 -0.10 0.00 0.00 175.22 175.75 3fhq s ALA 505 N -3.24 -1.02 0.07 5.36 0.00 -0.51 -0.91 121.76 121.51 3fhq s ALA 505 Ca 0.20 0.83 0.01 0.00 0.00 0.00 0.00 51.96 53.00 3fhq s ALA 505 Cb 0.02 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3fhq s ALA 505 CO 0.04 -0.25 -0.05 0.00 0.00 0.00 0.00 175.76 175.50 3fhq s ALA 506 N -0.62 0.73 -0.10 0.00 0.00 -0.26 -0.34 121.76 121.17 3fhq s ALA 506 Ca -0.07 -1.24 0.04 0.00 0.00 0.00 0.00 51.96 50.69 3fhq s ALA 506 Cb -0.04 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 3fhq s ALA 506 CO 0.03 -0.28 -0.23 -2.00 0.00 0.00 0.00 175.76 173.29 3fhq s GLU 507 N -3.68 3.08 0.60 0.00 2.12 -1.26 -1.37 118.70 118.19 3fhq s GLU 507 Ca 0.08 -0.86 -0.18 0.00 0.36 0.00 0.00 54.97 54.37 3fhq s GLU 507 Cb 0.05 -2.34 -0.03 0.00 0.26 0.00 0.00 34.13 32.07 3fhq s GLU 507 CO -0.07 0.19 1.16 0.20 -0.54 0.00 0.00 175.26 176.20 3fhq s GLY 508 N 0.33 2.56 0.00 -1.50 0.00 0.09 -4.77 107.32 104.03 3fhq s GLY 508 Ca -0.18 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.38 3fhq s GLY 508 CO 0.09 1.21 0.00 1.16 0.00 0.00 0.00 173.10 175.55 3fhq n ASN 509 N -1.72 1.95 -0.03 1.64 0.23 -1.26 -1.59 115.26 114.47 3fhq n ASN 509 Ca 0.12 -0.90 0.17 0.00 -0.53 0.00 0.00 54.58 53.45 3fhq n ASN 509 Cb 0.51 0.00 0.62 0.00 -2.08 0.00 0.00 39.78 38.82 3fhq n ASN 509 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3fhq h GLU 510 N 0.00 0.15 -0.92 -3.83 4.81 -1.94 0.70 114.58 113.54 3fhq h GLU 510 Ca 0.00 -0.01 0.16 0.00 -0.13 0.00 0.00 59.36 59.38 3fhq h GLU 510 Cb 0.00 -0.03 -0.08 0.00 0.63 0.00 0.00 28.75 29.27 3fhq h GLU 510 CO 0.00 0.10 0.59 1.15 -0.73 0.00 0.00 179.01 180.12 3fhq h THR 511 N 0.15 0.80 0.00 0.32 2.02 -1.92 -3.46 112.91 110.82 3fhq h THR 511 Ca 0.26 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.20 3fhq h THR 511 Cb 0.82 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.28 3fhq h THR 511 CO -0.04 0.13 0.00 0.61 0.37 0.00 0.00 175.52 176.59 3fhq n GLY 512 N -1.42 1.16 3.57 2.16 0.00 0.23 -5.00 105.19 105.88 3fhq n GLY 512 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3fhq n GLY 512 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fhq s LEU 513 N 0.00 3.01 -0.02 0.99 1.02 -1.25 -0.34 118.68 122.09 3fhq s LEU 513 Ca 0.00 -0.38 0.03 0.00 0.02 0.00 0.00 54.13 53.80 3fhq s LEU 513 Cb 0.00 -1.80 -0.00 0.00 0.02 0.00 0.00 46.19 44.41 3fhq s LEU 513 CO 0.00 0.19 -0.10 0.00 0.02 0.00 0.00 176.35 176.46 3fhq s ALA 514 N -1.18 0.93 -0.32 4.21 0.00 -0.10 -4.66 121.76 120.64 3fhq s ALA 514 Ca 0.21 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.78 3fhq s ALA 514 Cb -0.11 -0.32 0.14 0.00 0.00 0.00 0.00 23.12 22.84 3fhq s ALA 514 CO 0.13 0.17 0.32 -2.00 0.00 0.00 0.00 175.76 174.38 3fhq s GLU 515 N 0.07 0.45 0.03 0.00 2.12 -1.26 -0.16 118.70 119.96 3fhq s GLU 515 Ca -0.01 -0.47 0.01 0.00 0.36 0.00 0.00 54.97 54.85 3fhq s GLU 515 Cb -0.08 -0.72 -0.04 0.00 0.26 0.00 0.00 34.13 33.55 3fhq s GLU 515 CO 0.00 -1.10 0.10 -0.06 -0.54 0.00 0.00 175.26 173.67 3fhq s PHE 516 N 1.95 3.30 -0.09 5.30 0.08 0.15 -1.43 117.98 127.23 3fhq s PHE 516 Ca 0.13 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.36 3fhq s PHE 516 Cb -0.15 -1.71 0.02 0.00 -0.57 0.00 0.00 43.02 40.62 3fhq s PHE 516 CO -0.21 0.55 -0.08 0.71 -0.10 0.00 0.00 175.22 176.10 3fhq s TYR 517 N -1.31 1.37 -0.13 0.36 1.51 -0.71 -1.19 117.35 117.26 3fhq s TYR 517 Ca 0.27 -0.61 0.01 0.00 -1.01 0.00 0.00 57.07 55.73 3fhq s TYR 517 Cb -0.12 -1.12 -0.00 0.00 -0.11 0.00 0.00 41.96 40.60 3fhq s TYR 517 CO 0.19 -0.42 -0.17 -0.08 -1.11 0.00 0.00 175.55 173.96 3fhq s THR 518 N 1.41 2.60 0.00 -0.71 -1.32 -0.18 -0.20 115.64 117.24 3fhq s THR 518 Ca -0.01 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.66 3fhq s THR 518 Cb -0.13 -2.07 0.00 0.00 -1.51 0.00 0.00 72.50 68.79 3fhq s THR 518 CO -0.04 0.53 0.43 0.61 -2.21 0.00 0.00 174.62 173.93 3fhq n GLY 519 N 3.76 -1.13 3.63 6.08 0.00 0.12 -1.19 105.19 116.48 3fhq n GLY 519 Ca -0.19 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 3fhq n GLY 519 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3fhq s GLN 520 N -0.09 0.67 -0.09 1.61 1.03 -1.19 -4.31 119.66 117.29 3fhq s GLN 520 Ca 0.00 0.81 -0.07 0.00 0.04 0.00 0.00 55.36 56.13 3fhq s GLN 520 Cb 0.00 0.32 0.03 0.00 0.03 0.00 0.00 33.01 33.39 3fhq s GLN 520 CO 0.00 -0.08 0.24 -1.17 -2.54 0.00 0.00 175.29 171.73 3fhq s LEU 521 N 0.35 0.95 -0.20 2.60 2.96 -0.33 -0.62 118.68 124.39 3fhq s LEU 521 Ca 0.01 0.48 -0.27 0.00 -0.22 0.00 0.00 54.13 54.13 3fhq s LEU 521 Cb -0.05 0.78 0.08 0.00 0.50 0.00 0.00 46.19 47.51 3fhq s LEU 521 CO -0.03 -0.10 0.78 0.00 -1.32 0.00 0.00 176.35 175.68 3fhq s ALA 522 N 0.38 -1.82 -0.22 5.97 0.00 -0.24 -1.31 121.76 124.52 3fhq s ALA 522 Ca -0.02 1.78 0.01 0.00 0.00 0.00 0.00 51.96 53.72 3fhq s ALA 522 Cb -0.04 -0.86 0.03 0.00 0.00 0.00 0.00 23.12 22.25 3fhq s ALA 522 CO -0.02 -0.33 -0.14 0.08 0.00 0.00 0.00 175.76 175.36 3fhq s VAL 523 N -0.19 2.34 0.00 0.00 1.01 -0.07 -0.60 120.40 122.89 3fhq s VAL 523 Ca -0.03 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 60.82 3fhq s VAL 523 Cb -0.03 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.20 3fhq s VAL 523 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3fhq n GLY 524 N 4.59 -0.56 0.00 4.51 0.00 -0.55 -0.74 105.19 112.44 3fhq n GLY 524 Ca -0.18 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.68 3fhq n GLY 524 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3fhq n GLU 528 N 0.00 0.00 -3.93 1.61 -0.00 -1.26 -0.37 120.64 116.69 3fhq n GLU 528 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.16 56.82 3fhq n GLU 528 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.44 31.39 3fhq n GLU 528 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 3fhq s LYS 529 N -2.58 3.38 0.73 3.44 2.20 -1.26 -4.79 119.74 120.86 3fhq s LYS 529 Ca 0.00 -0.33 -0.11 0.00 -0.36 0.00 0.00 55.97 55.17 3fhq s LYS 529 Cb 0.00 -3.07 0.03 0.00 -1.51 0.00 0.00 37.83 33.28 3fhq s LYS 529 CO 0.00 0.68 1.10 -2.14 -0.36 0.00 0.00 175.35 174.63 3fhq s PRO 530 N -1.81 2.64 0.31 4.03 0.02 -1.26 -4.97 135.00 133.96 3fhq s PRO 530 Ca 0.25 0.52 -0.28 0.00 0.02 0.00 0.00 61.00 61.52 3fhq s PRO 530 Cb -0.12 -1.99 -0.09 0.00 0.02 0.00 0.00 34.50 32.31 3fhq s PRO 530 CO 0.16 -1.21 1.07 0.00 -0.33 0.00 0.00 177.00 176.70 3fhq s ALA 531 N -3.29 3.31 0.15 -1.55 0.00 -1.26 -4.38 121.76 114.74 3fhq s ALA 531 Ca 0.59 0.82 -0.34 0.00 0.00 0.00 0.00 51.96 53.03 3fhq s ALA 531 Cb -0.12 -3.30 -0.16 0.00 0.00 0.00 0.00 23.12 19.54 3fhq s ALA 531 CO 0.53 -0.15 1.29 0.00 0.00 0.00 0.00 175.76 177.43 3fhq n ALA 532 N 0.84 -0.38 -1.78 0.00 0.00 -1.26 -4.81 120.51 113.13 3fhq n ALA 532 Ca 0.01 0.47 -0.41 0.00 0.00 0.00 0.00 53.44 53.51 3fhq n ALA 532 Cb 0.46 -2.11 -0.01 0.00 0.00 0.00 0.00 19.45 17.79 3fhq n ALA 532 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3fhq s PRO 533 N 0.02 4.15 -0.62 0.00 0.02 -1.26 -4.94 135.00 132.36 3fhq s PRO 533 Ca 0.77 2.52 -0.24 0.00 0.02 0.00 0.00 61.00 64.06 3fhq s PRO 533 Cb -0.84 -3.02 0.05 0.00 0.02 0.00 0.00 34.50 30.71 3fhq s PRO 533 CO 0.49 -0.54 1.01 1.21 -0.33 0.00 0.00 177.00 178.84 3fhq s ASN 534 N 0.17 6.25 -0.13 2.53 2.47 -1.26 -4.72 114.94 120.25 3fhq s ASN 534 Ca 0.58 -0.59 -0.01 0.00 0.42 0.00 0.00 52.86 53.26 3fhq s ASN 534 Cb -0.46 -2.45 -0.02 0.00 -1.45 0.00 0.00 41.25 36.86 3fhq s ASN 534 CO 0.53 -1.42 -0.09 -0.69 -3.72 0.00 0.00 177.10 171.71 3fhq s VAL 535 N 4.32 3.39 0.02 -5.21 1.01 -1.26 -3.93 120.40 118.73 3fhq s VAL 535 Ca 0.29 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.78 3fhq s VAL 535 Cb -0.13 -2.44 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3fhq s VAL 535 CO 0.15 0.52 -0.15 0.20 0.00 0.00 0.00 175.10 175.82 3fhq s ASN 536 N 0.20 3.98 -0.28 3.32 0.01 -0.15 -4.96 114.94 117.08 3fhq s ASN 536 Ca -0.06 -0.34 -0.17 0.00 -0.71 0.00 0.00 52.86 51.58 3fhq s ASN 536 Cb -0.15 -0.73 -0.03 0.00 0.41 0.00 0.00 41.25 40.76 3fhq s ASN 536 CO 0.04 0.27 0.48 -0.69 -1.51 0.00 0.00 177.10 175.69 3fhq s VAL 537 N -0.91 5.09 0.30 1.60 1.01 -1.26 -0.93 120.40 125.29 3fhq s VAL 537 Ca 0.15 0.71 0.11 0.00 0.00 0.00 0.00 61.98 62.95 3fhq s VAL 537 Cb -0.11 -3.82 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 3fhq s VAL 537 CO 0.05 0.05 -0.17 -0.13 0.00 0.00 0.00 175.10 174.91 3fhq s ARG 538 N 2.26 1.71 0.32 2.72 1.81 -0.13 -4.99 118.95 122.65 3fhq s ARG 538 Ca 0.19 -1.81 -0.29 0.00 -1.72 0.00 0.00 55.73 52.10 3fhq s ARG 538 Cb -0.16 -1.72 -0.10 0.00 -0.45 0.00 0.00 34.95 32.52 3fhq s ARG 538 CO 0.10 0.27 1.33 -0.65 -0.68 0.00 0.00 175.30 175.67 3fhq s GLN 539 N -3.55 4.33 -0.66 3.54 -1.52 -1.26 -1.41 119.66 119.14 3fhq s GLN 539 Ca 0.31 2.24 -0.14 0.00 -1.95 0.00 0.00 55.36 55.81 3fhq s GLN 539 Cb -0.03 -3.07 0.17 0.00 -0.22 0.00 0.00 33.01 29.86 3fhq s GLN 539 CO 0.15 -0.23 0.60 -0.47 -0.25 0.00 0.00 175.29 175.08 3fhq s TYR 540 N -0.97 3.48 0.24 0.91 5.04 -1.26 -4.67 117.35 120.13 3fhq s TYR 540 Ca 0.51 -1.68 -0.11 0.00 -2.44 0.00 0.00 57.07 53.34 3fhq s TYR 540 Cb -0.40 -3.76 0.33 0.00 0.35 0.00 0.00 41.96 38.48 3fhq s TYR 540 CO 0.52 -1.00 1.60 -0.44 -1.34 0.00 0.00 175.55 174.88 3fhq h ASP 541 N 8.33 -0.76 0.24 4.32 3.32 -1.94 0.18 116.42 130.11 3fhq h ASP 541 Ca -0.11 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3fhq h ASP 541 Cb 1.07 0.50 0.00 0.00 0.22 0.00 0.00 39.33 41.12 3fhq h ASP 541 CO 0.90 -0.27 0.00 -0.65 -1.72 0.00 0.00 179.24 177.50 3fhq h PRO 542 N -0.00 0.00 -2.79 3.56 0.11 -1.94 -3.31 132.00 127.64 3fhq h PRO 542 Ca 0.38 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.89 3fhq h PRO 542 Cb 0.58 0.00 -0.40 0.00 0.11 0.00 0.00 31.00 31.30 3fhq h PRO 542 CO -0.82 0.00 -0.79 0.34 -0.21 0.00 0.00 178.00 176.51 3fhq s ASP 543 N -4.40 3.25 0.86 -2.05 2.15 0.63 -5.08 116.67 112.03 3fhq s ASP 543 Ca -0.01 -2.52 -0.11 0.00 0.43 0.00 0.00 52.55 50.34 3fhq s ASP 543 Cb 0.08 -0.76 0.11 0.00 -0.30 0.00 0.00 42.92 42.06 3fhq s ASP 543 CO 0.30 -0.27 1.15 -2.84 -0.17 0.00 0.00 175.17 173.34 3fhq s PRO 544 N 0.56 1.43 0.00 4.34 0.02 -1.25 -1.69 135.00 138.41 3fhq s PRO 544 Ca 0.19 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.73 3fhq s PRO 544 Cb -0.21 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.53 3fhq s PRO 544 CO -0.01 -2.32 0.00 -1.13 -0.33 0.00 0.00 177.00 173.20 3fhq n SER 545 N -3.85 0.00 -4.70 2.53 3.41 -1.26 -4.97 113.62 104.78 3fhq n SER 545 Ca 0.12 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.49 3fhq n SER 545 Cb 0.52 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 64.01 3fhq n SER 545 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3fhq s GLY 546 N -2.00 2.10 0.19 5.00 0.00 -0.68 -2.91 107.32 109.02 3fhq s GLY 546 Ca 0.00 -1.95 -0.06 0.00 0.00 0.00 0.00 44.72 42.71 3fhq s GLY 546 CO 0.00 -1.85 0.24 -0.26 0.00 0.00 0.00 173.10 171.23 3fhq s ILE 547 N -2.51 0.04 -0.04 0.90 -4.36 -0.95 -4.23 121.20 110.05 3fhq s ILE 547 Ca 0.38 -1.67 0.02 0.00 -0.26 0.00 0.00 60.65 59.12 3fhq s ILE 547 Cb 0.00 -2.16 0.01 0.00 1.25 0.00 0.00 42.46 41.56 3fhq s ILE 547 CO 0.22 -0.17 -0.10 0.00 0.24 0.00 0.00 174.94 175.13 3fhq s GLN 548 N -4.05 1.25 -0.05 0.37 -2.07 -0.50 -1.26 119.66 113.34 3fhq s GLN 548 Ca 0.26 -0.33 -0.21 0.00 -1.82 0.00 0.00 55.36 53.26 3fhq s GLN 548 Cb 0.04 -1.11 -0.04 0.00 -1.09 0.00 0.00 33.01 30.81 3fhq s GLN 548 CO 0.06 0.06 0.62 -0.51 -1.32 0.00 0.00 175.29 174.21 3fhq s LEU 549 N 0.46 4.35 -0.07 2.60 2.01 -0.16 -0.96 118.68 126.91 3fhq s LEU 549 Ca -0.08 1.11 0.03 0.00 0.01 0.00 0.00 54.13 55.20 3fhq s LEU 549 Cb -0.12 -2.95 0.01 0.00 0.01 0.00 0.00 46.19 43.13 3fhq s LEU 549 CO 0.02 -0.01 -0.15 -0.69 1.01 0.00 0.00 176.35 176.53 3fhq s VAL 550 N 0.39 1.32 0.43 -1.59 1.01 -0.11 -1.14 120.40 120.72 3fhq s VAL 550 Ca 0.33 -0.59 0.04 0.00 0.00 0.00 0.00 61.98 61.75 3fhq s VAL 550 Cb -0.17 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 3fhq s VAL 550 CO 0.16 0.39 0.14 -1.66 0.00 0.00 0.00 175.10 174.14 3fhq s TRP 551 N 0.55 1.78 0.56 5.22 -2.14 0.06 -0.97 118.94 123.99 3fhq s TRP 551 Ca -0.14 -1.33 0.05 0.00 2.66 0.00 0.00 56.10 57.34 3fhq s TRP 551 Cb -0.16 -1.16 0.05 0.00 -3.10 0.00 0.00 33.47 29.11 3fhq s TRP 551 CO 0.05 -0.33 0.44 -0.85 -2.66 0.00 0.00 176.95 173.60 3fhq n GLU 552 N -0.97 0.66 0.00 3.25 0.28 -1.25 -4.76 120.64 117.85 3fhq n GLU 552 Ca -0.07 -3.45 0.00 0.00 -0.16 0.00 0.00 57.16 53.48 3fhq n GLU 552 Cb 0.65 0.33 0.00 0.00 1.43 0.00 0.00 31.44 33.85 3fhq n GLU 552 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 3fhq n ASN 556 N -1.86 0.00 -4.42 -1.84 5.15 -1.26 -4.96 115.26 106.07 3fhq n ASN 556 Ca -0.01 0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.64 3fhq n ASN 556 Cb 0.63 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.75 3fhq n ASN 556 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3fhq s VAL 557 N 0.00 3.34 -0.07 3.44 1.01 -1.26 -3.00 120.40 123.85 3fhq s VAL 557 Ca 0.00 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 3fhq s VAL 557 Cb 0.00 -2.42 -0.27 0.00 0.00 0.00 0.00 36.38 33.69 3fhq s VAL 557 CO 0.00 0.51 0.92 -0.74 0.00 0.00 0.00 175.10 175.79 3fhq h HIS 558 N 6.69 0.30 -2.26 5.22 2.76 -0.53 -3.46 115.15 123.87 3fhq h HIS 558 Ca -0.28 -0.20 0.17 0.00 -2.20 0.00 0.00 60.37 57.87 3fhq h HIS 558 Cb 1.21 -0.02 -0.11 0.00 1.55 0.00 0.00 27.41 30.04 3fhq h HIS 558 CO 0.51 1.09 0.51 -3.38 -1.30 0.00 0.00 177.93 175.36 3fhq s HIS 559 N -2.65 -0.19 0.04 5.26 -3.43 -1.20 -4.68 115.29 108.44 3fhq s HIS 559 Ca -0.16 -0.05 0.05 0.00 -0.80 0.00 0.00 55.06 54.10 3fhq s HIS 559 Cb -0.00 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.72 3fhq s HIS 559 CO 0.76 -0.70 -0.10 0.71 -2.00 0.00 0.00 174.74 173.41 3fhq s TYR 560 N -3.17 2.77 -0.09 0.38 2.02 0.12 -1.26 117.35 118.12 3fhq s TYR 560 Ca 0.10 -0.12 0.04 0.00 -0.37 0.00 0.00 57.07 56.72 3fhq s TYR 560 Cb -0.01 -1.52 -0.00 0.00 -0.40 0.00 0.00 41.96 40.02 3fhq s TYR 560 CO -0.02 0.36 -0.24 1.03 -1.57 0.00 0.00 175.55 175.12 3fhq s ARG 561 N -1.68 2.90 -0.28 -0.62 0.52 -0.64 -1.60 118.95 117.55 3fhq s ARG 561 Ca 0.18 -0.88 -0.05 0.00 -0.52 0.00 0.00 55.73 54.47 3fhq s ARG 561 Cb -0.11 -2.27 0.01 0.00 0.52 0.00 0.00 34.95 33.10 3fhq s ARG 561 CO 0.09 0.25 0.03 0.08 0.02 0.00 0.00 175.30 175.77 3fhq s VAL 562 N 0.16 3.57 0.02 3.52 1.01 0.04 -1.84 120.40 126.89 3fhq s VAL 562 Ca -0.13 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.04 3fhq s VAL 562 Cb -0.16 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3fhq s VAL 562 CO 0.07 0.12 0.14 -0.31 0.00 0.00 0.00 175.10 175.12 3fhq s TYR 563 N 1.44 3.39 0.04 5.22 2.02 -0.04 -0.79 117.35 128.63 3fhq s TYR 563 Ca 0.02 0.23 0.09 0.00 -0.37 0.00 0.00 57.07 57.04 3fhq s TYR 563 Cb -0.17 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.62 3fhq s TYR 563 CO -0.00 0.58 -0.25 -1.59 -1.57 0.00 0.00 175.55 172.72 3fhq s LYS 564 N -2.09 1.84 0.20 -0.62 -2.85 0.34 -0.42 119.74 116.14 3fhq s LYS 564 Ca 0.28 -1.09 -0.30 0.00 -1.00 0.00 0.00 55.97 53.86 3fhq s LYS 564 Cb -0.12 -2.01 -0.08 0.00 -2.06 0.00 0.00 37.83 33.56 3fhq s LYS 564 CO 0.20 0.52 1.08 -1.21 0.10 0.00 0.00 175.35 176.03 3fhq s GLU 565 N -1.25 4.63 0.23 1.78 2.02 -0.88 -1.57 118.70 123.65 3fhq s GLU 565 Ca 0.12 1.70 0.00 0.00 0.02 0.00 0.00 54.97 56.81 3fhq s GLU 565 Cb -0.10 -3.26 -0.05 0.00 0.10 0.00 0.00 34.13 30.82 3fhq s GLU 565 CO 0.02 0.15 0.11 0.95 0.02 0.00 0.00 175.26 176.51 3fhq s THR 566 N -0.51 0.29 -0.27 3.63 -4.23 -0.86 -4.79 115.64 108.90 3fhq s THR 566 Ca 0.47 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.21 3fhq s THR 566 Cb -0.29 -2.54 0.22 0.00 1.34 0.00 0.00 72.50 71.23 3fhq s THR 566 CO 0.36 -0.03 1.67 0.29 -0.54 0.00 0.00 174.62 176.37 3fhq n LYS 567 N -0.36 0.15 -0.51 3.99 5.02 -1.26 -2.12 118.16 123.07 3fhq n LYS 567 Ca 0.01 0.59 0.08 0.00 -2.02 0.00 0.00 58.31 56.96 3fhq n LYS 567 Cb 0.66 -1.93 0.29 0.00 -0.02 0.00 0.00 35.03 34.03 3fhq n LYS 567 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3fhq n HIS 568 N -2.25 1.18 0.00 2.13 8.25 -1.26 -5.09 115.22 118.18 3fhq n HIS 568 Ca -0.01 -0.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.76 3fhq n HIS 568 Cb 0.08 -0.26 0.00 0.00 1.12 0.00 0.00 29.99 30.93 3fhq n HIS 568 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3fhq n GLY 569 N 0.36 -2.23 3.73 -1.41 0.00 -0.90 -4.99 105.19 99.75 3fhq n GLY 569 Ca 0.22 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 3fhq n GLY 569 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fhq s LYS 570 N -0.31 4.51 -0.06 1.61 -2.85 -1.26 -2.02 119.74 119.34 3fhq s LYS 570 Ca 0.00 1.78 0.05 0.00 -1.00 0.00 0.00 55.97 56.80 3fhq s LYS 570 Cb 0.00 -3.29 -0.01 0.00 -2.06 0.00 0.00 37.83 32.47 3fhq s LYS 570 CO 0.00 -0.09 -0.23 -2.00 0.10 0.00 0.00 175.35 173.13 3fhq s GLU 571 N 0.20 2.42 -0.08 1.78 2.12 -0.61 -4.89 118.70 119.63 3fhq s GLU 571 Ca 0.54 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.75 3fhq s GLU 571 Cb -0.30 -2.02 -0.02 0.00 0.26 0.00 0.00 34.13 32.05 3fhq s GLU 571 CO 0.33 0.31 1.10 -1.17 -0.54 0.00 0.00 175.26 175.29 3fhq s LEU 572 N -0.01 4.26 0.00 2.70 2.96 0.84 -0.50 118.68 128.93 3fhq s LEU 572 Ca -0.06 1.67 0.00 0.00 -0.22 0.00 0.00 54.13 55.51 3fhq s LEU 572 Cb -0.14 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 42.99 3fhq s LEU 572 CO 0.04 -0.52 0.14 2.30 -1.32 0.00 0.00 176.35 176.99 3fhq n ILE 573 N 4.61 0.00 -3.58 6.68 -5.35 0.03 -4.69 119.36 117.06 3fhq n ILE 573 Ca 0.10 -0.48 -0.13 0.00 -0.27 0.00 0.00 62.75 61.96 3fhq n ILE 573 Cb 0.47 1.01 -0.06 0.00 -1.74 0.00 0.00 39.64 39.32 3fhq n ILE 573 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3fhq s GLY 574 N -0.68 -0.40 0.02 3.28 0.00 -1.12 -4.99 107.32 103.43 3fhq s GLY 574 Ca 0.00 1.93 0.02 0.00 0.00 0.00 0.00 44.72 46.66 3fhq s GLY 574 CO 0.00 1.31 -0.06 -0.51 0.00 0.00 0.00 173.10 173.84 3fhq s THR 575 N -0.57 0.45 -0.13 0.90 -4.23 -1.26 -0.78 115.64 110.03 3fhq s THR 575 Ca -0.03 -0.77 -0.11 0.00 -1.18 0.00 0.00 61.69 59.60 3fhq s THR 575 Cb -0.02 -0.48 0.04 0.00 1.34 0.00 0.00 72.50 73.37 3fhq s THR 575 CO 0.03 -0.22 0.33 -0.55 -0.54 0.00 0.00 174.62 173.67 3fhq s SER 576 N -1.07 -0.36 0.00 3.99 0.15 -0.63 -4.98 113.70 110.80 3fhq s SER 576 Ca -0.06 0.68 0.17 0.00 0.70 0.00 0.00 55.95 57.44 3fhq s SER 576 Cb -0.07 0.67 0.49 0.00 -1.71 0.00 0.00 66.02 65.40 3fhq s SER 576 CO 0.00 -0.13 1.41 0.00 1.20 0.00 0.00 173.24 175.72 3fhq n ALA 577 N 3.12 2.28 -2.40 5.45 0.00 -1.26 0.12 120.51 127.82 3fhq n ALA 577 Ca -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.06 3fhq n ALA 577 Cb 0.57 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.33 3fhq n ALA 577 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fhq n GLY 578 N 1.12 3.19 0.60 0.00 0.00 -1.26 -4.59 105.19 104.24 3fhq n GLY 578 Ca 0.19 -1.80 0.06 0.00 0.00 0.00 0.00 46.02 44.46 3fhq n GLY 578 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fhq n ASP 579 N 0.00 2.51 -3.85 1.61 5.75 -1.26 -4.92 116.55 116.39 3fhq n ASP 579 Ca 0.00 -1.75 -0.08 0.00 -0.01 0.00 0.00 54.79 52.95 3fhq n ASP 579 Cb 0.00 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 39.94 3fhq n ASP 579 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fhq s ARG 580 N -1.01 1.65 -0.12 0.11 1.70 -1.26 -0.76 118.95 119.27 3fhq s ARG 580 Ca 0.20 -1.00 -0.12 0.00 -0.47 0.00 0.00 55.73 54.34 3fhq s ARG 580 Cb 0.12 0.57 0.03 0.00 -0.57 0.00 0.00 34.95 35.10 3fhq s ARG 580 CO 0.16 -0.73 0.33 -1.50 -1.08 0.00 0.00 175.30 172.48 3fhq s ILE 581 N -3.93 0.01 -0.17 4.99 2.07 -0.29 -4.85 121.20 119.03 3fhq s ILE 581 Ca 0.13 -0.05 -0.16 0.00 -1.41 0.00 0.00 60.65 59.16 3fhq s ILE 581 Cb -0.04 -0.49 -0.04 0.00 0.13 0.00 0.00 42.46 42.02 3fhq s ILE 581 CO 0.05 -0.03 0.40 -0.47 -1.91 0.00 0.00 174.94 172.99 3fhq s TYR 582 N 0.03 3.43 -0.12 3.50 5.04 -1.26 -0.99 117.35 126.97 3fhq s TYR 582 Ca -0.01 0.70 0.03 0.00 -2.44 0.00 0.00 57.07 55.34 3fhq s TYR 582 Cb -0.03 -2.50 0.01 0.00 0.35 0.00 0.00 41.96 39.80 3fhq s TYR 582 CO 0.01 0.09 -0.20 0.42 -1.34 0.00 0.00 175.55 174.53 3fhq s ILE 583 N 0.93 1.90 0.42 3.14 -1.09 -0.39 -5.01 121.20 121.10 3fhq s ILE 583 Ca 0.21 -0.89 -0.12 0.00 -2.23 0.00 0.00 60.65 57.62 3fhq s ILE 583 Cb -0.14 -1.68 -0.07 0.00 -1.58 0.00 0.00 42.46 38.98 3fhq s ILE 583 CO 0.08 0.52 0.81 -0.70 -1.23 0.00 0.00 174.94 174.41 3fhq s GLU 584 N 0.78 3.82 0.00 2.79 2.12 -1.26 -2.24 118.70 124.71 3fhq s GLU 584 Ca -0.09 0.57 0.00 0.00 0.36 0.00 0.00 54.97 55.81 3fhq s GLU 584 Cb -0.16 -2.35 0.00 0.00 0.26 0.00 0.00 34.13 31.88 3fhq s GLU 584 CO -0.00 -0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 3fhq n GLY 585 N -1.28 1.73 3.59 -1.50 0.00 -1.14 -4.94 105.19 101.63 3fhq n GLY 585 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 3fhq n GLY 585 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3fhq s LEU 586 N 0.00 3.47 0.00 0.99 1.43 -1.24 -5.01 118.68 118.32 3fhq s LEU 586 Ca 0.00 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3fhq s LEU 586 Cb 0.00 -3.26 0.00 0.00 0.03 0.00 0.00 46.19 42.96 3fhq s LEU 586 CO 0.00 -1.75 0.00 0.52 0.23 0.00 0.00 176.35 175.35 3fhq n VAL 587 N 7.18 0.00 0.00 -1.59 0.31 -1.26 -4.62 118.33 118.35 3fhq n VAL 587 Ca 0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.52 3fhq n VAL 587 Cb 0.48 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.41 3fhq n VAL 587 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3fhq n VAL 595 N 0.00 0.00 -3.71 2.52 0.31 -1.26 -5.12 118.33 111.07 3fhq n VAL 595 Ca 0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 64.34 63.98 3fhq n VAL 595 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 3fhq n VAL 595 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3fhq s ARG 596 N -0.21 4.15 0.20 5.55 0.52 -1.26 -4.60 118.95 123.30 3fhq s ARG 596 Ca 0.00 -0.23 0.08 0.00 -0.52 0.00 0.00 55.73 55.06 3fhq s ARG 596 Cb 0.00 -3.46 -0.04 0.00 0.52 0.00 0.00 34.95 31.97 3fhq s ARG 596 CO 0.00 0.22 -0.02 -0.51 0.02 0.00 0.00 175.30 175.02 3fhq s LEU 597 N 0.58 3.23 -0.13 2.53 1.43 -0.24 -2.08 118.68 124.00 3fhq s LEU 597 Ca 0.08 -0.48 -0.02 0.00 -1.03 0.00 0.00 54.13 52.68 3fhq s LEU 597 Cb -0.12 -1.86 0.04 0.00 0.03 0.00 0.00 46.19 44.29 3fhq s LEU 597 CO 0.00 0.07 0.01 -1.00 0.23 0.00 0.00 176.35 175.66 3fhq s HIS 598 N -1.86 0.91 -0.24 0.29 3.76 0.44 -1.63 115.29 116.96 3fhq s HIS 598 Ca 0.28 -0.52 -0.07 0.00 -0.15 0.00 0.00 55.06 54.59 3fhq s HIS 598 Cb -0.09 -0.94 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 3fhq s HIS 598 CO 0.18 -0.47 0.07 0.42 -0.85 0.00 0.00 174.74 174.10 3fhq s ILE 599 N 1.90 4.42 0.08 0.60 1.09 -0.66 -0.86 121.20 127.77 3fhq s ILE 599 Ca 0.02 -0.14 0.09 0.00 -1.10 0.00 0.00 60.65 59.53 3fhq s ILE 599 Cb -0.14 -3.06 -0.04 0.00 -1.06 0.00 0.00 42.46 38.17 3fhq s ILE 599 CO -0.07 0.35 -0.23 -1.83 -0.10 0.00 0.00 174.94 173.07 3fhq s GLU 600 N 1.42 1.73 -0.16 2.79 -1.05 -0.76 -0.79 118.70 121.88 3fhq s GLU 600 Ca 0.05 -1.17 -0.08 0.00 -0.15 0.00 0.00 54.97 53.63 3fhq s GLU 600 Cb -0.15 -2.02 -0.04 0.00 -0.44 0.00 0.00 34.13 31.47 3fhq s GLU 600 CO 0.04 0.49 0.11 0.00 0.95 0.00 0.00 175.26 176.85 3fhq s ALA 601 N -0.97 3.65 -0.14 -0.84 0.00 -1.26 -1.63 121.76 120.57 3fhq s ALA 601 Ca 0.14 -0.70 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 3fhq s ALA 601 Cb -0.10 -1.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.99 3fhq s ALA 601 CO 0.05 0.35 -0.01 -0.51 0.00 0.00 0.00 175.76 175.64 3fhq s LEU 602 N -0.18 3.43 1.12 0.00 1.02 -0.39 -0.44 118.68 123.24 3fhq s LEU 602 Ca 0.09 -0.02 -0.18 0.00 0.02 0.00 0.00 54.13 54.05 3fhq s LEU 602 Cb -0.12 -1.82 0.25 0.00 0.02 0.00 0.00 46.19 44.52 3fhq s LEU 602 CO 0.01 0.23 1.17 -0.94 0.02 0.00 0.00 176.35 176.83 3fhq s SER 603 N 0.00 1.71 0.54 2.29 1.04 -0.20 0.03 113.70 119.11 3fhq s SER 603 Ca 0.02 0.57 0.21 0.00 0.48 0.00 0.00 55.95 57.24 3fhq s SER 603 Cb -0.13 -0.80 1.42 0.00 0.10 0.00 0.00 66.02 66.62 3fhq s SER 603 CO 0.02 -3.63 2.13 -0.33 0.98 0.00 0.00 173.24 172.41 3fhq h GLU 604 N -2.25 0.00 -0.18 4.02 4.39 -1.86 0.84 114.58 119.55 3fhq h GLU 604 Ca -0.45 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.25 3fhq h GLU 604 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 3fhq h GLU 604 CO 0.38 0.00 0.00 2.41 -1.16 0.00 0.00 179.01 180.64 3fhq n THR 605 N -4.32 0.23 -1.86 1.13 -1.04 -1.26 -4.80 114.28 102.37 3fhq n THR 605 Ca 0.00 -0.33 -0.15 0.00 -2.04 0.00 0.00 64.05 61.52 3fhq n THR 605 Cb 0.22 0.29 -0.04 0.00 -1.82 0.00 0.00 70.33 68.98 3fhq n THR 605 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3fhq n PHE 606 N 0.25 -0.36 -2.46 -1.42 3.01 0.29 -4.99 117.46 111.78 3fhq n PHE 606 Ca 0.15 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.19 3fhq n PHE 606 Cb 0.30 -2.94 -0.03 0.00 -0.01 0.00 0.00 39.48 36.80 3fhq n PHE 606 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3fhq s VAL 607 N -2.67 4.26 0.38 -4.37 1.01 -1.26 -4.72 120.40 113.03 3fhq s VAL 607 Ca 0.00 1.58 -0.19 0.00 0.00 0.00 0.00 61.98 63.38 3fhq s VAL 607 Cb 0.00 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 3fhq s VAL 607 CO 0.00 -0.01 0.86 -2.84 0.00 0.00 0.00 175.10 173.11 3fhq s PRO 608 N 2.30 4.15 0.73 2.72 0.02 -1.26 -1.03 135.00 142.63 3fhq s PRO 608 Ca 0.56 0.94 -0.09 0.00 0.02 0.00 0.00 61.00 62.42 3fhq s PRO 608 Cb -0.24 -2.32 0.06 0.00 0.02 0.00 0.00 34.50 32.02 3fhq s PRO 608 CO 0.21 0.06 1.08 -1.54 -0.33 0.00 0.00 177.00 176.48 3fhq s SER 609 N -2.19 4.87 0.37 2.53 1.04 0.42 -4.54 113.70 116.20 3fhq s SER 609 Ca 0.58 0.70 -0.28 0.00 0.48 0.00 0.00 55.95 57.44 3fhq s SER 609 Cb -0.10 -1.35 -0.10 0.00 0.10 0.00 0.00 66.02 64.57 3fhq s SER 609 CO 0.15 -1.62 1.35 -1.81 0.98 0.00 0.00 173.24 172.30 3fhq s ASP 610 N -4.50 6.50 -0.01 7.02 1.01 -1.26 -4.64 116.67 120.79 3fhq s ASP 610 Ca 0.60 2.78 -0.30 0.00 0.71 0.00 0.00 52.55 56.34 3fhq s ASP 610 Cb -0.11 -2.65 -0.03 0.00 1.01 0.00 0.00 42.92 41.14 3fhq s ASP 610 CO 0.47 -0.73 1.06 0.00 0.21 0.00 0.00 175.17 176.18 3fhq s ALA 611 N -1.17 3.29 0.14 5.23 0.00 -1.26 -4.25 121.76 123.73 3fhq s ALA 611 Ca 0.53 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.78 3fhq s ALA 611 Cb -0.41 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.23 3fhq s ALA 611 CO 0.54 -0.40 1.25 0.50 0.00 0.00 0.00 175.76 177.65 3fhq s ARG 612 N 1.32 4.43 0.02 0.00 6.06 0.03 -4.83 118.95 125.98 3fhq s ARG 612 Ca 0.54 1.91 -0.18 0.00 -2.50 0.00 0.00 55.73 55.49 3fhq s ARG 612 Cb -0.23 -3.27 -0.06 0.00 0.06 0.00 0.00 34.95 31.45 3fhq s ARG 612 CO 0.26 -0.23 0.51 -1.64 -2.50 0.00 0.00 175.30 171.70 3fhq s MET 613 N 0.43 4.14 -0.04 5.12 -1.94 -1.26 -1.66 119.30 124.08 3fhq s MET 613 Ca 0.57 0.60 0.02 0.00 -1.71 0.00 0.00 55.69 55.17 3fhq s MET 613 Cb -0.33 -3.27 0.01 0.00 2.01 0.00 0.00 34.83 33.25 3fhq s MET 613 CO 0.33 0.57 -0.09 0.42 -0.01 0.00 0.00 175.02 176.24 3fhq s ILE 614 N -0.79 0.85 -2.79 2.53 -1.09 -0.65 -5.00 121.20 114.27 3fhq s ILE 614 Ca 0.27 -0.34 0.22 0.00 -2.23 0.00 0.00 60.65 58.57 3fhq s ILE 614 Cb -0.18 -0.79 0.18 0.00 -1.58 0.00 0.00 42.46 40.09 3fhq s ILE 614 CO 0.16 0.28 1.21 0.47 -1.23 0.00 0.00 174.94 175.83